A0A077Z422_TRITR Loading...

Myosin tail family protein

AlphaFold DB , UniProt , Accession A0A077Z422, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,028 aa.

>A0A077Z422_TRITR|A0A077Z422
MEKDPSWKYLRPPADITVSDGKKKYHSKRSCWIPDPSEGFVGARIRSSKGDQAIVVTDNGIEKTVKKEELQEMNPPKFEKAEDMANLTFLNDASVLHNLRQRYYSMLIYTYSGLFCVVINPYKNLPIYTENVIRMYMGRRRSEMPPHLFAISDEAYRNMMQDKENQSILITGESGAGKTENTKRVISYFATVGATQSARTKAGKKATLEEQIVKTNPVLEAFGNAKTVRNNNSSRFGKFIRIYFNGHGKLAGDLLEKSRVIKQAPGERCFHIFYQLMSCRIPGLKGATAIASAFVVDNSVVFSYAEKLFLNKEIRHYKLISQAEVTIDGMDDGEEMQITDEAFDVMNFEQEEKDNLYKLCAAIMHMGEMKFKQRPREEQAESDGTDEADMSCRLMAIDTADFLKALLKPRVKVGAEWVNKSQNLDQVSWSVGALCKAIYARTFKWLITRCNRTLDVADADRKFFIGVLDIAGFEIFDFNSFEQLWINFVNEKLQQFFNHHMFVLEQELYKSEGIAWNFIDFGLDLQACIELIEKPLGIVSVLDEECIVPRASDQTFVQKLNDQHLGKHPNFQKARSPKGTQSEAHFAIVHYAGTVRYNASGWLEKNKDPLNDSVVSVLKSSADNRLIVDIWADYETQEESSKKKVDPVKKKGKAASFLTVSMMYRESLNTLMNMLRSTHPHFIRCIVPNESKKSGLIEAGLVLNQLTCNGVLEGIRICRKGFPNRFSFDEFAQRYSILKAEEAGKLKSSKEKTKAILQSLVTDGAITEDDFQIGITKVRTFAARYYPCDLDWKSYTELKAPVWVFFKAGIMACLEDMHNEAMSAMLLGVQTAMRAYLAKAEYYRKKKEIDASIILQRNVKRWLELRHWHWFSLYARIKPLLSQAKQDELVEQMTLKIKVHLESDSFDNFEEAVASSEQLCKNLESQVLSLNEQKRRMEAELAGDKSSIEDLERTIQRLSESKKDLQEQNEDLQDQVHQAHKQNTSLEKCRKGLQEENDLLKDHAEEVQTRLKAVQAEKSTLEQTVHTLKETIARQEKNELQLSREKKLLEENSSALQQDIKLAEEKLTSTVRQKANLERTLDQVEQNLELERRARQDADKARRKLEGDLKISKENSDEINQIRLDLEANVRRKEEEISTMARSLAEEEDAKLKLQKALKEMQVQIDQLADEVSQERENRLRAERRRQELQNELEEIAQQADEAAGATQAQVELNKKRELEIAKLKREHEEALMSSESRQSSLQKRHAEIVADLNEQIDTLQKLKQRLEKEKTMLQNEIDELRSMEENERMAKAYQEKQLKQAEFRAAEALQGRDEYAQQVQDLEAQRQRLVAENTSLNEELANMQSQVTSMTQAKQRMVVQLEEARKTAEEKTAKCDQMIAEYKRSEKDLAQVSNQLEQELDLRSDLQRQLAKAKAEIQSIRTTFEHELLKKTEELDDAKKTLLLRTNAMQVELEKDSAKISSLEKVRNRLQLELDSCHEELDKVNALNSALERKQRMYEKATEEWKQKCDEITTDLETSQRENRAFSTEVFKLRAMVEQAVDKEEAARRECKVLTDELQDLTAQLGVGGQTFFEIQKNKRLLELEKEELQTALEEAESALELEESKTLKSQAELTQIRQEIEQQLREKEEEFAETRRSHSRAIDSLKATLESESKGKQELSKTKKKLESDISELELALDHAHKSNADFTKQLKRYQEQIRQLQNQVDEEQRNRNELRERCDFLEKRFQTLLAEKEEMTTTVENQERLRRLNDQEVNQLKEQLDEVQLLLNSTTVAKRKMETEIQALRGDLEDMTQEAKDNEEKYRKATLDATRLSDELRQEQEHSQYLEQKNKSLEQQTRDLQTLFEETEVNSVRGKAKYINQLEQKLRDLEMELDSARRKQQDSDRVRRKNDRQLKELEAQIEEARKNDERMHELIDRLNSKVRAYKRQAEEAVGKAAVAGWPNKEQIAAMNLSKYRHSQNQLQEAEERADLAENSLAKFRAKSRSSSYKNLSNMKTMMTLSTSSRDLSKSQSALQKDDDESTSSL
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.2Low78.8Confident112 Ų11282.7 Ų82.755%0.55239%0.385SS*.  0-51.40-62.3175.7-172.500110.6K3 D4 W7 M135 M144M1-K3 PolarHBondContact O-N 2.85Å; M1-D4 PolarHBondContact O-N 2.58Å; M1-W7 HydrophobicContact CB-CE3 3.91Å; M1-W7 HydrophobicContact CB-CH2 4.03Å; M1-W7 HydrophobicContact CB-CZ3 3.62Å; M1-W7 HydrophobicContact CG-CZ3 4.46Å; M1-W7 HydrophobicContact SD-CH2 4.31Å; M1-W7 HydrophobicContact SD-CZ3 4.14Å; M1-M135 HydrophobicContact CB-SD 3.9Å; M1-M135 HydrophobicContact CG-CG 4.23Å; M1-M135 HydrophobicContact CG-SD 3.98Å; M1-M135 HydrophobicContact SD-CB 4.39Å; M1-M135 HydrophobicContact SD-CG 4.42Å; M1-M135 HydrophobicContact SD-SD 4.44Å; M1-M144 HydrophobicContact CE-SD 4.38Å; M1-M144 HydrophobicContact SD-CE 4.36Å; M1-M144 HydrophobicContact SD-SD 3.92Å
2E71Confident78.9Confident145 Ų14577.5 Ų77.568%0.67836%0.364SS*.THydrogen-bonded Turntrans-50.4-21.7-172.4-41.8-167.6116.900118.8D4 W7E2-D4 VanDerWaalsContact C-N 3.27Å; E2-D4 PolarHBondContact O-N 2.82Å; E2-W7 HydrophobicContact CB-CG 4.36Å; E2-W7 HydrophobicContact CG-CZ2 4.2Å
3K73Confident78.7Confident214 Ų21476.2 Ų76.293%0.9337%0.366SS*.THydrogen-bonded Turntrans-75-11.4176.9-64.4-173.8178.8-178.30113.9M1M1-K3 PolarHBondContact O-N 2.85Å
4D75.7Confident78.4Confident29 Ų2975.8 Ų75.816%0.15538%0.382CS..SBendtrans-75.4130.4177.5-167.9-61.9000110.4M1 E2 S6 W7 N131 M135M1-D4 PolarHBondContact O-N 2.58Å; E2-D4 VanDerWaalsContact C-N 3.27Å; E2-D4 PolarHBondContact O-N 2.82Å; D4-S6 PolarHBondContact O-N 2.83Å; D4-S6 WeakPolarHBondContact OD1-CB 3.39Å; D4-S6 PolarHBondContact OD1-N 2.86Å; D4-S6 PolarHBondContact OD1-OG 2.77Å; D4-W7 WeakPolarHBondContact O-CB 3.44Å; D4-W7 PolarHBondContact O-N 3.1Å; D4-N131 PolarHBondContact OD2-ND2 3.17Å; D4-M135 HydrophobicContact CB-CE 3.79Å
5P79.3Confident78.2Confident100 Ų10079.9 Ų79.965%0.64941%0.405SS*.THydrogen-bonded Turntrans-55.3-19179.4-27.235.6000115.4K8P5-K8 WeakPolarHBondContact O-CE 3.29Å
6S81.5Confident77.9Confident7 Ų779.4 Ų79.45%0.04940%0.403CS..THydrogen-bonded Turntrans-70.8-29.8175.6-40.80000112.9D4 K8 Y9 P126D4-S6 PolarHBondContact O-N 2.83Å; D4-S6 WeakPolarHBondContact OD1-CB 3.39Å; D4-S6 PolarHBondContact OD1-N 2.86Å; D4-S6 PolarHBondContact OD1-OG 2.77Å; S6-K8 VanDerWaalsContact C-N 3.32Å; S6-K8 PolarHBondContact O-N 2.94Å; S6-Y9 WeakPolarHBondContact O-CB 3.33Å; S6-Y9 PolarHBondContact O-N 2.87Å; S6-P126 VanDerWaalsContact CB-O 3.24Å; S6-P126 WeakPolarHBondContact CB-O 3.3Å; S6-P126 PolarHBondContact OG-O 2.8Å
7W83.8Confident77.6Confident32 Ų3278.7 Ų78.712%0.12140%0.404CS..G310 helixtrans-60-37.7-167-172.4-106000113.8M1 E2 D4 Y9 L10 R11 M135 M144M1-W7 HydrophobicContact CB-CE3 3.91Å; M1-W7 HydrophobicContact CB-CH2 4.03Å; M1-W7 HydrophobicContact CB-CZ3 3.62Å; M1-W7 HydrophobicContact CG-CZ3 4.46Å; M1-W7 HydrophobicContact SD-CH2 4.31Å; M1-W7 HydrophobicContact SD-CZ3 4.14Å; E2-W7 HydrophobicContact CB-CG 4.36Å; E2-W7 HydrophobicContact CG-CZ2 4.2Å; D4-W7 WeakPolarHBondContact O-CB 3.44Å; D4-W7 PolarHBondContact O-N 3.1Å; W7-Y9 PolarHBondContact O-N 3.35Å; W7-Y9 VanDerWaalsContact O-N 3.1Å; W7-L10 HydrophobicContact CE3-CD1 4.47Å; W7-L10 PolarHBondContact O-N 2.69Å; W7-R11 HydrophobicContact CZ2-CB 4.49Å; W7-R11 PolarHBondContact O-N 2.66Å; W7-M135 HydrophobicContact CE3-SD 4.36Å; W7-M135 HydrophobicContact CZ3-SD 4.4Å; W7-M144 HydrophobicContact CZ3-CE 4.48Å
8K82.9Confident77.5Confident114 Ų11478.8 Ų78.850%0.49641%0.408SS..G310 helixtrans-63-12.9176.872.7-168.3-178.4-177.70114.8P5 S6P5-K8 WeakPolarHBondContact O-CE 3.29Å; S6-K8 VanDerWaalsContact C-N 3.32Å; S6-K8 PolarHBondContact O-N 2.94Å
9Y86Confident77.4Confident65 Ų6577.9 Ų77.926%0.25541%0.41SS..G310 helixtrans-103.41.7174.1-57.5-65.7000112.7S6 W7 M106 P126S6-Y9 WeakPolarHBondContact O-CB 3.33Å; S6-Y9 PolarHBondContact O-N 2.87Å; W7-Y9 PolarHBondContact O-N 3.35Å; W7-Y9 VanDerWaalsContact O-N 3.1Å; Y9-M106 HydrophobicContact CD1-CB 3.9Å; Y9-M106 HydrophobicContact CE1-CB 4.26Å; Y9-P126 HydrophobicContact CD2-CG 3.66Å; Y9-P126 HydrophobicContact CE2-CG 3.54Å
10L86.3Confident77.2Confident4 Ų474.7 Ų74.72%0.02139%0.393CS..THydrogen-bonded Turntrans-110.2-44.6176.1-64.6175.5000111.4W7 I127 V132 Y136 P145W7-L10 HydrophobicContact CE3-CD1 4.47Å; W7-L10 PolarHBondContact O-N 2.69Å; L10-I127 HydrophobicContact CD2-CB 4.04Å; L10-I127 HydrophobicContact CD2-CG2 3.9Å; L10-I127 HydrophobicContact CG-CG2 4.16Å; L10-V132 HydrophobicContact CD1-CG1 4Å; L10-V132 HydrophobicContact CD1-CG2 4.42Å; L10-Y136 HydrophobicContact CD1-CE2 4.32Å; L10-P145 HydrophobicContact CB-CG 4Å; L10-P145 WeakPolarHBondContact O-CB 3.41Å
11R84.8Confident76.9Confident88 Ų8873.1 Ų73.133%0.33239%0.394SS..SBendtrans-132.1137.8179.8-177.3166.4-101.8-173.1-0.6110.5W7 E82 P145W7-R11 HydrophobicContact CZ2-CB 4.49Å; W7-R11 PolarHBondContact O-N 2.66Å; R11-E82 IonicContact CZ-OE1 2.66Å; R11-E82 IonicContact CZ-OE2 3.12Å; R11-E82 IonicContact NE-OE1 3.92Å; R11-E82 PolarHBondContact NE-OE1 2.73Å; R11-E82 IonicContact NE-OE2 2.7Å; R11-E82 IonicContact NH2-OE1 2.66Å; R11-E82 PolarHBondContact NH2-OE1 2.62Å; R11-E82 IonicContact NH2-OE2 2.83Å; R11-E82 PolarHBondContact NH2-OE2 3.29Å; R11-P145 HydrophobicContact CB-CB 4.19Å; R11-P145 HydrophobicContact CB-CG 4.26Å
12P80.1Confident77.5Confident20 Ų2075.4 Ų75.413%0.1340%0.402CS..  trans-63.6143172.926.9-34.6000110.7L107P12-L107 HydrophobicContact CB-CD1 4.37Å; P12-L107 HydrophobicContact CG-CD1 4.35Å
13P76.9Confident77.8Confident61 Ų6173 Ų7340%0.39639%0.389SS..  trans-52.4142.4171.7-28.234.5000113D15 I16 T17P13-D15 VanDerWaalsContact C-N 3.28Å; P13-D15 PolarHBondContact O-N 3.46Å; P13-I16 HydrophobicContact CB-CD1 4.4Å; P13-I16 HydrophobicContact CB-CG1 4.31Å; P13-I16 HydrophobicContact CG-CD1 4.12Å; P13-I16 PolarHBondContact O-N 2.76Å; P13-I16 VanDerWaalsContact O-N 3.11Å; P13-T17 PolarHBondContact O-N 3.29Å; P13-T17 PolarHBondContact O-OG1 2.8Å; P13-T17 VanDerWaalsContact O-OG1 3.13Å
14A74.1Confident77.7Confident70 Ų7072.7 Ų72.758%0.57939%0.387SS*.Hα-helixtrans-56.2-42-179.200000112.2I16 T17 V18A14-I16 VanDerWaalsContact C-N 3.31Å; A14-I16 PolarHBondContact O-N 2.74Å; A14-T17 WeakPolarHBondContact O-CB 3.5Å; A14-T17 PolarHBondContact O-N 3.42Å; A14-V18 WeakPolarHBondContact O-CB 3.33Å; A14-V18 WeakPolarHBondContact O-CG2 3.17Å; A14-V18 PolarHBondContact O-N 2.76Å
15D75Confident77.7Confident137 Ų13773.8 Ų73.873%0.73339%0.39SS*.Hα-helixtrans-57.9-40.7178-58.6-47.4000112.9P13 V18 S19P13-D15 VanDerWaalsContact C-N 3.28Å; P13-D15 PolarHBondContact O-N 3.46Å; D15-V18 PolarHBondContact O-N 3.08Å; D15-S19 WeakPolarHBondContact O-CB 3.4Å; D15-S19 PolarHBondContact O-N 3.48Å
16I74.5Confident77.5Confident72 Ų7274.7 Ų74.737%0.36939%0.385SS..Hα-helixtrans-65.8-48.1178-66.7-177.1000109.2P13 A14 V18 S19 D20P13-I16 HydrophobicContact CB-CD1 4.4Å; P13-I16 HydrophobicContact CB-CG1 4.31Å; P13-I16 HydrophobicContact CG-CD1 4.12Å; P13-I16 PolarHBondContact O-N 2.76Å; P13-I16 VanDerWaalsContact O-N 3.11Å; A14-I16 VanDerWaalsContact C-N 3.31Å; A14-I16 PolarHBondContact O-N 2.74Å; I16-V18 VanDerWaalsContact C-N 3.33Å; I16-V18 PolarHBondContact O-N 2.85Å; I16-S19 CarbonylContact O-C 3.55Å; I16-S19 WeakPolarHBondContact O-CA 3.36Å; I16-S19 WeakPolarHBondContact O-CB 3.47Å; I16-S19 PolarHBondContact O-N 3.45Å; I16-S19 PolarHBondContact O-OG 2.67Å; I16-D20 WeakPolarHBondContact CG2-OD2 3.13Å; I16-D20 PolarHBondContact O-N 2.64Å
17T72.7Confident76.9Confident68 Ų6877.5 Ų77.542%0.41741%0.405SS..Hα-helixtrans-58.9-42.8178.4-45.90000111.9P13 A14 S19 G21P13-T17 PolarHBondContact O-N 3.29Å; P13-T17 PolarHBondContact O-OG1 2.8Å; P13-T17 VanDerWaalsContact O-OG1 3.13Å; A14-T17 WeakPolarHBondContact O-CB 3.5Å; A14-T17 PolarHBondContact O-N 3.42Å; T17-S19 VanDerWaalsContact C-N 3.32Å; T17-S19 PolarHBondContact O-N 2.85Å; T17-G21 PolarHBondContact O-N 3.26Å; T17-G21 VanDerWaalsContact O-N 3.09Å
18V74.6Confident76.4Confident80 Ų8084.5 Ų84.549%0.48544%0.436SS..Hα-helixtrans-69.7-26.6175.41710000112.4A14 D15 I16 K22A14-V18 WeakPolarHBondContact O-CB 3.33Å; A14-V18 WeakPolarHBondContact O-CG2 3.17Å; A14-V18 PolarHBondContact O-N 2.76Å; D15-V18 PolarHBondContact O-N 3.08Å; I16-V18 VanDerWaalsContact C-N 3.33Å; I16-V18 PolarHBondContact O-N 2.85Å; V18-K22 VanDerWaalsContact O-CD 3.3Å; V18-K22 WeakPolarHBondContact O-CD 3.01Å; V18-K22 WeakPolarHBondContact O-CE 3.38Å; V18-K22 VanDerWaalsContact O-CG 3.31Å; V18-K22 WeakPolarHBondContact O-CG 3.49Å
19S77.1Confident76.3Confident63 Ų6386.6 Ų86.644%0.44144%0.441SS..Hα-helixtrans-79.1-40.2174.679.30000112.7D15 I16 T17 K22D15-S19 WeakPolarHBondContact O-CB 3.4Å; D15-S19 PolarHBondContact O-N 3.48Å; I16-S19 CarbonylContact O-C 3.55Å; I16-S19 WeakPolarHBondContact O-CA 3.36Å; I16-S19 WeakPolarHBondContact O-CB 3.47Å; I16-S19 PolarHBondContact O-N 3.45Å; I16-S19 PolarHBondContact O-OG 2.67Å; T17-S19 VanDerWaalsContact C-N 3.32Å; T17-S19 PolarHBondContact O-N 2.85Å; S19-K22 PolarHBondContact O-N 3.49Å; S19-K22 VanDerWaalsContact O-N 3.16Å
20D73.1Confident76.2Confident12 Ų1284 Ų846%0.06443%0.433CS..Hα-helixtrans-64.3-45.6177.5-70.1-30.6000110.2I16 K22 K23 P76 E79 K80I16-D20 WeakPolarHBondContact CG2-OD2 3.13Å; I16-D20 PolarHBondContact O-N 2.64Å; D20-K22 PolarHBondContact O-N 2.76Å; D20-K23 WeakPolarHBondContact O-CB 3.39Å; D20-K23 WeakPolarHBondContact O-CG 3.48Å; D20-K23 PolarHBondContact O-N 2.65Å; D20-K23 VanDerWaalsContact OD1-CE 3.3Å; D20-K23 WeakPolarHBondContact OD1-CE 3.19Å; D20-K23 IonicContact OD1-NZ 2.68Å; D20-K23 PolarHBondContact OD1-NZ 3.29Å; D20-P76 WeakPolarHBondContact O-CB 3.48Å; D20-E79 HydrophobicContact CB-CB 4.25Å; D20-K80 IonicContact OD1-NZ 3.73Å; D20-K80 IonicContact OD2-NZ 2.89Å; D20-K80 PolarHBondContact OD2-NZ 2.77Å
21G71.1Confident76.3Confident42 Ų4284.1 Ų84.143%0.43343%0.433SS..THydrogen-bonded Turntrans-60.9-9.1174.200000115.8T17T17-G21 PolarHBondContact O-N 3.26Å; T17-G21 VanDerWaalsContact O-N 3.09Å
22K75.3Confident76.6Confident161 Ų16180.7 Ų80.770%0.742%0.42SS*.THydrogen-bonded Turntrans-98.40.1175.5-70.7169.9-173.8172.70113.9V18 S19 D20V18-K22 VanDerWaalsContact O-CD 3.3Å; V18-K22 WeakPolarHBondContact O-CD 3.01Å; V18-K22 WeakPolarHBondContact O-CE 3.38Å; V18-K22 VanDerWaalsContact O-CG 3.31Å; V18-K22 WeakPolarHBondContact O-CG 3.49Å; S19-K22 PolarHBondContact O-N 3.49Å; S19-K22 VanDerWaalsContact O-N 3.16Å; D20-K22 PolarHBondContact O-N 2.76Å
23K75.7Confident77Confident93 Ų9379.8 Ų79.840%0.40441%0.414SS..SBendtrans-64.1144.2178-71.2169.3-176.1162.40111.7D20 Y25 P76 E79D20-K23 WeakPolarHBondContact O-CB 3.39Å; D20-K23 WeakPolarHBondContact O-CG 3.48Å; D20-K23 PolarHBondContact O-N 2.65Å; D20-K23 VanDerWaalsContact OD1-CE 3.3Å; D20-K23 WeakPolarHBondContact OD1-CE 3.19Å; D20-K23 IonicContact OD1-NZ 2.68Å; D20-K23 PolarHBondContact OD1-NZ 3.29Å; K23-Y25 PolarHBondContact O-N 2.74Å; K23-P76 HydrophobicContact CB-CB 3.99Å; K23-P76 HydrophobicContact CB-CG 3.88Å; K23-E79 WeakPolarHBondContact CD-OE2 3.3Å; K23-E79 IonicContact NZ-OE1 2.82Å; K23-E79 PolarHBondContact NZ-OE1 2.85Å; K23-E79 IonicContact NZ-OE2 3.73Å; K23-E79 PolarHBondContact NZ-OE2 2.69Å
24K71.2Confident77.5Confident209 Ų20979.6 Ų79.691%0.90941%0.413SS*.  trans-69.6125.8-179-73.3-175.6176.6179.40111.1
25Y75.7Confident77.9Confident51 Ų5177.9 Ų77.920%0.239%0.394CS..  trans-135.9144.8-175.3174.7-104.5000111.1K23 M73 N74 P75K23-Y25 PolarHBondContact O-N 2.74Å; Y25-M73 HydrophobicContact CD2-CE 3.74Å; Y25-M73 HydrophobicContact CE2-CB 4.44Å; Y25-M73 HydrophobicContact CE2-CE 4.06Å; Y25-M73 VanDerWaalsContact CE2-O 3.25Å; Y25-M73 WeakPolarHBondContact CE2-O 3.15Å; Y25-M73 PolarHBondContact OH-O 3.25Å; Y25-N74 WeakPolarHBondContact CE2-O 3.46Å; Y25-P75 HydrophobicContact CD1-CB 4.26Å; Y25-P75 HydrophobicContact CE1-CB 3.98Å; Y25-P75 HydrophobicContact CE1-CG 3.82Å
26H75.3Confident78.2Confident119 Ų11977.8 Ų77.855%0.55140%0.401SS*.  trans-132.8103.1174.5-76.2-59.5000110.4K28 R29 S30H26-K28 PolarHBondContact O-N 2.73Å; H26-R29 HydrophobicContact CB-CB 4.09Å; H26-R29 PolarHBondContact O-N 3.29Å; H26-S30 PolarHBondContact N-OG 3.31Å; H26-S30 WeakPolarHBondContact O-CB 2.98Å; H26-S30 PolarHBondContact O-N 2.8Å
27S69Low78.4Confident66 Ų6679.1 Ų79.146%0.46242%0.417SS..THydrogen-bonded Turntrans-56.8-31.7-169.9101.50000114.8
28K72.3Confident78.7Confident179 Ų17979.7 Ų79.778%0.77842%0.415SS*.THydrogen-bonded Turntrans-100.716.6178.3-58-156.7173.6-153.30114.7H26H26-K28 PolarHBondContact O-N 2.73Å
29R81.7Confident79.2Confident158 Ų15876.6 Ų76.660%0.59640%0.399SS*.THydrogen-bonded Turntrans-140.4-27.9176.7-68.7-169.7-177.7178.40114.8H26 R44 I45H26-R29 HydrophobicContact CB-CB 4.09Å; H26-R29 PolarHBondContact O-N 3.29Å; R29-R44 CarbonylContact O-C 3.6Å; R29-R44 VanDerWaalsContact O-CA 3.26Å; R29-R44 WeakPolarHBondContact O-CA 3.11Å; R29-I45 PolarHBondContact O-N 3.42Å
30S84.7Confident79.8Confident12 Ų1274.5 Ų74.58%0.08438%0.382CS..EExtended strand (participates in β ladder)trans-77.6120.1176.5-69.90000110.4H26 M73H26-S30 PolarHBondContact N-OG 3.31Å; H26-S30 WeakPolarHBondContact O-CB 2.98Å; H26-S30 PolarHBondContact O-N 2.8Å; S30-M73 WeakPolarHBondContact O-CB 3.18Å; S30-M73 PolarHBondContact O-N 3.22Å
31C88.2Confident80.5Confident5 Ų574.5 Ų74.53%0.03438%0.382CS..EExtended strand (participates in β ladder)trans-139.7157.7-177.7570000110.4A43 Q71C31-A43 PolarHBondContact N-O 3.38Å; C31-A43 PolarHBondContact O-N 2.8Å; C31-A43 VanDerWaalsContact O-O 3.05Å; C31-Q71 CarbonylContact C-O 3.51Å; C31-Q71 WeakPolarHBondContact CA-O 3.5Å; C31-Q71 WeakPolarHBondContact CB-O 3.36Å
32W89.9Confident81.3Confident17 Ų1773 Ų736%0.06437%0.366CS..EExtended strand (participates in β ladder)trans-91.8148164.8-58.4112000109.7V41 Q71 M73 A93 S94 H97W32-V41 WeakPolarHBondContact CA-O 3.31Å; W32-Q71 HydrophobicContact CB-CB 4.23Å; W32-Q71 PolarHBondContact N-O 3.29Å; W32-Q71 PolarHBondContact O-N 3.09Å; W32-Q71 VanDerWaalsContact O-N 3.13Å; W32-M73 HydrophobicContact CD2-CG 4.38Å; W32-M73 HydrophobicContact CH2-CG 4.4Å; W32-M73 HydrophobicContact CH2-SD 4.39Å; W32-M73 HydrophobicContact CZ2-CG 3.72Å; W32-M73 HydrophobicContact CZ2-SD 4.28Å; W32-A93 HydrophobicContact CB-CB 3.48Å; W32-A93 VanDerWaalsContact CB-CB 3.48Å; W32-A93 VanDerWaalsContact CD1-CB 3.42Å; W32-A93 HydrophobicContact CD2-CB 3.91Å; W32-A93 HydrophobicContact CG-CB 3.32Å; W32-S94 PolarHBondContact NE1-OG 3.23Å; W32-S94 VanDerWaalsContact NE1-OG 3.16Å; W32-H97 HydrophobicContact CH2-CB 4.04Å; W32-H97 AromaticContact CH2-CE1 3.67Å; W32-H97 AromaticContact CH2-CG 3.58Å; W32-H97 AromaticContact CH2-ND1 3.22Å; W32-H97 WeakPolarHBondContact CH2-ND1 3.05Å; W32-H97 HydrophobicContact CZ2-CB 3.88Å; W32-H97 AromaticContact CZ2-CG 3.72Å; W32-H97 AromaticContact CZ2-ND1 3.87Å; W32-H97 AromaticContact CZ3-ND1 3.99Å
33I89.3Confident81.9Confident1 Ų165.3 Ų65.31%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-130.3154167.166.7172.4000111.5F40 V41 A43 V55 T57 K63 V65 L70I33-F40 WeakPolarHBondContact O-CA 3.4Å; I33-V41 HydrophobicContact CD1-CG2 4.32Å; I33-V41 HydrophobicContact CG1-CG2 3.73Å; I33-V41 PolarHBondContact N-O 3.36Å; I33-V41 PolarHBondContact O-N 3.28Å; I33-A43 HydrophobicContact CD1-CB 4.36Å; I33-A43 HydrophobicContact CG1-CB 4.3Å; I33-A43 HydrophobicContact CG2-CB 4.15Å; I33-V55 HydrophobicContact CD1-CG2 4Å; I33-V55 HydrophobicContact CG2-CG2 4.09Å; I33-T57 HydrophobicContact CD1-CG2 3.6Å; I33-T57 HydrophobicContact CG1-CG2 4.39Å; I33-K63 HydrophobicContact CD1-CD 3.78Å; I33-V65 HydrophobicContact CG2-CG2 4.28Å; I33-L70 HydrophobicContact CG2-CD2 3.6Å
34P86.6Confident82.4Confident56 Ų5667.5 Ų67.536%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-59.4140.8172.5-23.433.5000112.6G39 F40 E69P34-G39 WeakPolarHBondContact CA-O 3.46Å; P34-F40 HydrophobicContact CG-CE1 4.11Å; P34-E69 WeakPolarHBondContact CD-O 3.5Å
35D83.8Confident83.2Confident34 Ų3459.9 Ų59.918%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-139.6134167.6-165.280.3000112.3S37 G39 V41 K63D35-S37 PolarHBondContact O-N 2.77Å; D35-S37 VanDerWaalsContact O-N 3.1Å; D35-S37 PolarHBondContact OD2-N 2.76Å; D35-S37 PolarHBondContact OD2-OG 3.15Å; D35-G39 PolarHBondContact N-O 2.69Å; D35-G39 CarbonylContact O-C 3.3Å; D35-G39 WeakPolarHBondContact O-CA 3.48Å; D35-G39 PolarHBondContact O-N 2.9Å; D35-V41 HydrophobicContact CB-CG1 3.87Å; D35-V41 HydrophobicContact CB-CG2 4.09Å; D35-K63 IonicContact OD1-NZ 2.76Å; D35-K63 PolarHBondContact OD1-NZ 2.77Å
36P80.1Confident83.7Confident136 Ų13665.7 Ų65.788%0.88333%0.329SS*.THydrogen-bonded Turntrans-61.7-18-178.9-24.434.8000115.6
37S80.1Confident84.1Confident99 Ų9962.3 Ų62.369%0.69232%0.319SS*.THydrogen-bonded Turntrans-102.3-44-176.266.30000113.6D35D35-S37 PolarHBondContact O-N 2.77Å; D35-S37 VanDerWaalsContact O-N 3.1Å; D35-S37 PolarHBondContact OD2-N 2.76Å; D35-S37 PolarHBondContact OD2-OG 3.15Å
38E78.6Confident84.5Confident80 Ų8062.7 Ų62.737%0.37432%0.322SS..THydrogen-bonded Turntrans-102.11.3-179.2-79.2-161.4-14200114.3F40 V41 R100 A699E38-F40 PolarHBondContact O-N 3.18Å; E38-V41 HydrophobicContact CB-CG1 3.74Å; E38-V41 HydrophobicContact CG-CG1 4.36Å; E38-R100 IonicContact OE2-CZ 2.64Å; E38-R100 IonicContact OE2-NH1 2.63Å; E38-R100 PolarHBondContact OE2-NH1 3.41Å; E38-A699 WeakPolarHBondContact O-CB 3.35Å
39G84.9Confident84.6Confident15 Ų1561.8 Ų61.816%0.15532%0.318CS..EExtended strand (participates in β ladder)trans74-61-172.600000111.6P34 D35P34-G39 WeakPolarHBondContact CA-O 3.46Å; D35-G39 PolarHBondContact N-O 2.69Å; D35-G39 CarbonylContact O-C 3.3Å; D35-G39 WeakPolarHBondContact O-CA 3.48Å; D35-G39 PolarHBondContact O-N 2.9Å
40F88.7Confident84.4Confident20 Ų2057.3 Ų57.39%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-139.9134.8174-67.1-84.3000112.2I33 P34 E38 D92 A93 L96 R100 L703I33-F40 WeakPolarHBondContact O-CA 3.4Å; P34-F40 HydrophobicContact CG-CE1 4.11Å; E38-F40 PolarHBondContact O-N 3.18Å; F40-D92 HydrophobicContact CE2-CB 4.03Å; F40-D92 HydrophobicContact CZ-CB 4.33Å; F40-A93 HydrophobicContact CB-CB 3.63Å; F40-A93 HydrophobicContact CD1-CB 3.69Å; F40-A93 HydrophobicContact CD2-CB 3.84Å; F40-A93 HydrophobicContact CE1-CB 4.26Å; F40-A93 HydrophobicContact CE2-CB 4.4Å; F40-A93 HydrophobicContact CG-CB 3.45Å; F40-A93 VanDerWaalsContact CG-CB 3.45Å; F40-L96 HydrophobicContact CD2-CD2 4.16Å; F40-R100 PolarHBondContact O-NH2 3.15Å; F40-L703 HydrophobicContact CD2-CD1 3.97Å; F40-L703 HydrophobicContact CD2-CD2 4.27Å; F40-L703 HydrophobicContact CE2-CD1 3.8Å; F40-L703 HydrophobicContact CE2-CD2 3.9Å
41V88Confident84.1Confident12 Ų1263 Ų637%0.07335%0.35CS..EExtended strand (participates in β ladder)trans-121.6150.3177.5-62.10000111.5W32 I33 D35 E38 T57W32-V41 WeakPolarHBondContact CA-O 3.31Å; I33-V41 HydrophobicContact CD1-CG2 4.32Å; I33-V41 HydrophobicContact CG1-CG2 3.73Å; I33-V41 PolarHBondContact N-O 3.36Å; I33-V41 PolarHBondContact O-N 3.28Å; D35-V41 HydrophobicContact CB-CG1 3.87Å; D35-V41 HydrophobicContact CB-CG2 4.09Å; E38-V41 HydrophobicContact CB-CG1 3.74Å; E38-V41 HydrophobicContact CG-CG1 4.36Å; V41-T57 HydrophobicContact CG2-CG2 4.04Å
42G87.7Confident83.8Confident9 Ų968.2 Ų68.29%0.09337%0.374CS..EExtended strand (participates in β ladder)trans-70.3142.2176.200000111.8T57 D58G42-T57 CarbonylContact O-C 3.34Å; G42-T57 WeakPolarHBondContact O-CA 3.42Å; G42-D58 WeakPolarHBondContact CA-OD2 3.33Å; G42-D58 PolarHBondContact O-N 2.85Å
43A88.3Confident83.5Confident1 Ų167.4 Ų67.41%0.00837%0.371CS..EExtended strand (participates in β ladder)trans-149163.2179.700000112.3C31 I33 V55 V56 T57C31-A43 PolarHBondContact N-O 3.38Å; C31-A43 PolarHBondContact O-N 2.8Å; C31-A43 VanDerWaalsContact O-O 3.05Å; I33-A43 HydrophobicContact CD1-CB 4.36Å; I33-A43 HydrophobicContact CG1-CB 4.3Å; I33-A43 HydrophobicContact CG2-CB 4.15Å; A43-V55 HydrophobicContact CB-CB 4.18Å; A43-V55 HydrophobicContact CB-CG2 4.09Å; A43-V56 CarbonylContact C-O 3.53Å; A43-V56 VanDerWaalsContact CA-O 3.31Å; A43-V56 WeakPolarHBondContact CA-O 3.34Å; A43-T57 HydrophobicContact CB-CG2 4.44Å
44R87.4Confident83.3Confident139 Ų13969.4 Ų69.453%0.52538%0.382SS..EExtended strand (participates in β ladder)trans-125.3126.8176.4-61.3178.2-146.1156.415.2111R29 R46 V55 V56 D58R29-R44 CarbonylContact O-C 3.6Å; R29-R44 VanDerWaalsContact O-CA 3.26Å; R29-R44 WeakPolarHBondContact O-CA 3.11Å; R44-R46 PolarHBondContact O-N 2.97Å; R44-V55 CarbonylContact O-C 3.53Å; R44-V55 WeakPolarHBondContact O-CA 3.4Å; R44-V56 PolarHBondContact N-O 2.75Å; R44-V56 PolarHBondContact O-N 2.77Å; R44-D58 IonicContact CZ-OD1 2.72Å; R44-D58 IonicContact NE-OD1 3.62Å; R44-D58 IonicContact NH2-OD1 3.69Å; R44-D58 PolarHBondContact NH2-OD1 3.49Å
45I87.1Confident83.4Confident49 Ų4966.8 Ų66.825%0.25136%0.364SS..EExtended strand (participates in β ladder)trans-64.3118.3175-54.2173000109.1R29 V55 L70R29-I45 PolarHBondContact O-N 3.42Å; I45-V55 HydrophobicContact CG1-CG1 4.19Å; I45-L70 HydrophobicContact CD1-CD1 3.89Å; I45-L70 HydrophobicContact CG1-CD1 4.11Å
46R85.9Confident83.6Confident172 Ų17267.2 Ų67.265%0.64937%0.368SS*.EExtended strand (participates in β ladder)trans-91.6-42.3176.3-167.4-172.2-172.8179.94.1111.3R44 I54 V56 E62R44-R46 PolarHBondContact O-N 2.97Å; R46-I54 WeakPolarHBondContact CB-O 3.31Å; R46-I54 PolarHBondContact N-O 2.77Å; R46-V56 HydrophobicContact CB-CG2 4.39Å; R46-E62 WeakPolarHBondContact CD-OE1 2.94Å; R46-E62 IonicContact CZ-OE1 3.9Å; R46-E62 IonicContact NE-OE1 2.79Å; R46-E62 IonicContact NH1-OE1 3.67Å; R46-E62 PolarHBondContact NH1-OE1 3.2Å; R46-E62 IonicContact NH1-OE2 2.88Å; R46-E62 PolarHBondContact NH1-OE2 2.94Å
47S83.1Confident83.8Confident48 Ų4861.1 Ų61.134%0.33633%0.328SS..EExtended strand (participates in β ladder)trans-158.1158172.368.90000111.4I54S47-I54 PolarHBondContact N-O 3.42Å; S47-I54 PolarHBondContact O-N 2.85Å
48S78.4Confident83.8Confident75 Ų7560.7 Ų60.752%0.52432%0.318SS..EExtended strand (participates in β ladder)trans-120.2143172.1-150.80000109.7
49K74.5Confident83.7Confident160 Ų16062.5 Ų62.570%0.69633%0.331SS*.EExtended strand (participates in β ladder)trans-140.494.5177-73.2-173.6176.7-177.90109.2D51 Q52K49-D51 PolarHBondContact O-N 3.13Å; K49-Q52 PolarHBondContact N-O 2.91Å; K49-Q52 PolarHBondContact O-N 3.14Å
50G77.4Confident83.5Confident64 Ų6464.6 Ų64.666%0.6635%0.352SS*.THydrogen-bonded Turntrans57.4-133.5-171.300000110.8Q52G50-Q52 PolarHBondContact O-N 3.37Å; G50-Q52 VanDerWaalsContact O-N 3.16Å
51D78.9Confident83.3Confident130 Ų13068.2 Ų68.270%0.69537%0.371SS*.THydrogen-bonded Turntrans-740.6-176.8-47.8-35.5000114K49 K66 K67K49-D51 PolarHBondContact O-N 3.13Å; D51-K66 CarbonylContact O-C 3.58Å; D51-K66 WeakPolarHBondContact O-CA 3.33Å; D51-K67 PolarHBondContact O-N 3.39Å
52Q80.8Confident83.2Confident115 Ų11571.9 Ų71.954%0.53739%0.388SS..EExtended strand (participates in β ladder)trans-113.7138.5177.2-67.5-174.90.200112.2K49 G50 T64 V65K49-Q52 PolarHBondContact N-O 2.91Å; K49-Q52 PolarHBondContact O-N 3.14Å; G50-Q52 PolarHBondContact O-N 3.37Å; G50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-T64 HydrophobicContact CB-CG2 4.09Å; Q52-T64 HydrophobicContact CG-CG2 4.49Å; Q52-V65 WeakPolarHBondContact CA-O 3.11Å
53A82.8Confident82.9Confident1 Ų174.5 Ų74.51%0.00840%0.396CS..EExtended strand (participates in β ladder)trans-118.1135174.400000110.3V55 T64 V65 L70A53-V55 HydrophobicContact CB-CG1 4.33Å; A53-T64 WeakPolarHBondContact O-CA 3.33Å; A53-V65 PolarHBondContact N-O 2.92Å; A53-V65 PolarHBondContact O-N 3.02Å; A53-L70 HydrophobicContact CB-CD1 3.7Å
54I86.8Confident82.8Confident43 Ų4378.4 Ų78.422%0.22142%0.42CS..EExtended strand (participates in β ladder)trans-93.8116.6169.9-54.3-179.4000107R46 S47 E62 T64R46-I54 WeakPolarHBondContact CB-O 3.31Å; R46-I54 PolarHBondContact N-O 2.77Å; S47-I54 PolarHBondContact N-O 3.42Å; S47-I54 PolarHBondContact O-N 2.85Å; I54-E62 HydrophobicContact CG2-CG 3.61Å; I54-E62 WeakPolarHBondContact CG2-OE1 3.41Å; I54-T64 HydrophobicContact CG1-CG2 4.48Å
55V88Confident82.7Confident0 Ų072.5 Ų72.50%040%0.4CS..EExtended strand (participates in β ladder)trans-119.7149.6-178.7-51.80000110.6I33 A43 R44 I45 A53 E62 K63 V65 L70I33-V55 HydrophobicContact CD1-CG2 4Å; I33-V55 HydrophobicContact CG2-CG2 4.09Å; A43-V55 HydrophobicContact CB-CB 4.18Å; A43-V55 HydrophobicContact CB-CG2 4.09Å; R44-V55 CarbonylContact O-C 3.53Å; R44-V55 WeakPolarHBondContact O-CA 3.4Å; I45-V55 HydrophobicContact CG1-CG1 4.19Å; A53-V55 HydrophobicContact CB-CG1 4.33Å; V55-E62 CarbonylContact O-C 3.51Å; V55-E62 WeakPolarHBondContact O-CA 3.5Å; V55-K63 HydrophobicContact CG2-CB 4.4Å; V55-K63 PolarHBondContact N-O 3.27Å; V55-K63 PolarHBondContact O-N 2.94Å; V55-V65 HydrophobicContact CB-CG2 4.38Å; V55-V65 HydrophobicContact CG1-CG2 3.94Å; V55-V65 HydrophobicContact CG2-CG2 3.53Å; V55-L70 HydrophobicContact CG1-CD1 4.45Å; V55-L70 HydrophobicContact CG1-CD2 3.88Å
56V88.1Confident82.4Confident44 Ų4474.3 Ų74.327%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-110.5120170.9-178.70000107.6A43 R44 R46 E62A43-V56 CarbonylContact C-O 3.53Å; A43-V56 VanDerWaalsContact CA-O 3.31Å; A43-V56 WeakPolarHBondContact CA-O 3.34Å; R44-V56 PolarHBondContact N-O 2.75Å; R44-V56 PolarHBondContact O-N 2.77Å; R46-V56 HydrophobicContact CB-CG2 4.39Å; V56-E62 HydrophobicContact CG2-CB 4.3Å; V56-E62 HydrophobicContact CG2-CG 4.23Å
57T84.3Confident82Confident7 Ų771.6 Ų71.64%0.04340%0.399CS..EExtended strand (participates in β ladder)trans-65.2160.9175.461.40000111.1I33 V41 G42 A43 N59 G60 I61I33-T57 HydrophobicContact CD1-CG2 3.6Å; I33-T57 HydrophobicContact CG1-CG2 4.39Å; V41-T57 HydrophobicContact CG2-CG2 4.04Å; G42-T57 CarbonylContact O-C 3.34Å; G42-T57 WeakPolarHBondContact O-CA 3.42Å; A43-T57 HydrophobicContact CB-CG2 4.44Å; T57-N59 PolarHBondContact O-N 3.28Å; T57-N59 PolarHBondContact OG1-N 3.44Å; T57-G60 WeakPolarHBondContact O-CA 3.42Å; T57-G60 PolarHBondContact O-N 2.8Å; T57-I61 PolarHBondContact N-O 3.33Å; T57-I61 WeakPolarHBondContact OG1-CB 3.38Å; T57-I61 PolarHBondContact OG1-N 2.75Å; T57-I61 PolarHBondContact OG1-O 3.2Å
58D80.4Confident81.5Confident91 Ų9173.4 Ų73.449%0.48740%0.402SS..THydrogen-bonded Turntrans-63.8-18171.2-71.6-52.3000112.3G42 R44 G60G42-D58 WeakPolarHBondContact CA-OD2 3.33Å; G42-D58 PolarHBondContact O-N 2.85Å; R44-D58 IonicContact CZ-OD1 2.72Å; R44-D58 IonicContact NE-OD1 3.62Å; R44-D58 IonicContact NH2-OD1 3.69Å; R44-D58 PolarHBondContact NH2-OD1 3.49Å; D58-G60 PolarHBondContact O-N 2.67Å
59N77.4Confident81.6Confident118 Ų11873.7 Ų73.763%0.63140%0.395SS*.THydrogen-bonded Turntrans-77.73.8167.6-66-12.5000113.6T57 I61T57-N59 PolarHBondContact O-N 3.28Å; T57-N59 PolarHBondContact OG1-N 3.44Å; N59-I61 VanDerWaalsContact C-N 3.3Å; N59-I61 HydrophobicContact CB-CG1 4.45Å; N59-I61 PolarHBondContact O-N 2.73Å
60G80.1Confident82.1Confident58 Ų5867.7 Ų67.760%0.59837%0.37SS*.SBendtrans77.84.3178.400000115.6T57 D58T57-G60 WeakPolarHBondContact O-CA 3.42Å; T57-G60 PolarHBondContact O-N 2.8Å; D58-G60 PolarHBondContact O-N 2.67Å
61I83.8Confident82.4Confident97 Ų9766.7 Ų66.750%0.49735%0.348SS..  trans-84.3123.7-178.1-51.8176.2000109.2T57 N59 K63T57-I61 PolarHBondContact N-O 3.33Å; T57-I61 WeakPolarHBondContact OG1-CB 3.38Å; T57-I61 PolarHBondContact OG1-N 2.75Å; T57-I61 PolarHBondContact OG1-O 3.2Å; N59-I61 VanDerWaalsContact C-N 3.3Å; N59-I61 HydrophobicContact CB-CG1 4.45Å; N59-I61 PolarHBondContact O-N 2.73Å; I61-K63 HydrophobicContact CG2-CG 4.48Å
62E85.9Confident82.5Confident89 Ų8962.9 Ų62.942%0.41633%0.326SS..EExtended strand (participates in β ladder)trans-83.9119.6173.2-170.4157-14000110.4R46 I54 V55 V56R46-E62 WeakPolarHBondContact CD-OE1 2.94Å; R46-E62 IonicContact CZ-OE1 3.9Å; R46-E62 IonicContact NE-OE1 2.79Å; R46-E62 IonicContact NH1-OE1 3.67Å; R46-E62 PolarHBondContact NH1-OE1 3.2Å; R46-E62 IonicContact NH1-OE2 2.88Å; R46-E62 PolarHBondContact NH1-OE2 2.94Å; I54-E62 HydrophobicContact CG2-CG 3.61Å; I54-E62 WeakPolarHBondContact CG2-OE1 3.41Å; V55-E62 CarbonylContact O-C 3.51Å; V55-E62 WeakPolarHBondContact O-CA 3.5Å; V56-E62 HydrophobicContact CG2-CB 4.3Å; V56-E62 HydrophobicContact CG2-CG 4.23Å
63K82.7Confident82.7Confident63 Ų6358.9 Ų58.927%0.27431%0.308SS..EExtended strand (participates in β ladder)trans-119.5140.9175.2-76.4-179.9-179.5172.20109I33 D35 V55 I61I33-K63 HydrophobicContact CD1-CD 3.78Å; D35-K63 IonicContact OD1-NZ 2.76Å; D35-K63 PolarHBondContact OD1-NZ 2.77Å; V55-K63 HydrophobicContact CG2-CB 4.4Å; V55-K63 PolarHBondContact N-O 3.27Å; V55-K63 PolarHBondContact O-N 2.94Å; I61-K63 HydrophobicContact CG2-CG 4.48Å
64T85.8Confident82.7Confident84 Ų8459.7 Ų59.752%0.51531%0.312SS..EExtended strand (participates in β ladder)trans-91.4123161.6-53.90000107.8Q52 A53 I54Q52-T64 HydrophobicContact CB-CG2 4.09Å; Q52-T64 HydrophobicContact CG-CG2 4.49Å; A53-T64 WeakPolarHBondContact O-CA 3.33Å; I54-T64 HydrophobicContact CG1-CG2 4.48Å
65V83.8Confident82.3Confident15 Ų1559 Ų599%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-124.9157.1-178-114.50000109I33 Q52 A53 V55 E69 L70I33-V65 HydrophobicContact CG2-CG2 4.28Å; Q52-V65 WeakPolarHBondContact CA-O 3.11Å; A53-V65 PolarHBondContact N-O 2.92Å; A53-V65 PolarHBondContact O-N 3.02Å; V55-V65 HydrophobicContact CB-CG2 4.38Å; V55-V65 HydrophobicContact CG1-CG2 3.94Å; V55-V65 HydrophobicContact CG2-CG2 3.53Å; V65-E69 HydrophobicContact CG1-CB 4.09Å; V65-L70 HydrophobicContact CB-CD2 4.25Å; V65-L70 HydrophobicContact CG2-CD2 3.82Å
66K82.6Confident81.9Confident86 Ų8660 Ų6037%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-67.2152.7165.9-66.6-176.3171.4-1620110.9D51 E68 E69D51-K66 CarbonylContact O-C 3.58Å; D51-K66 WeakPolarHBondContact O-CA 3.33Å; K66-E68 HydrophobicContact CB-CB 4.13Å; K66-E68 HydrophobicContact CD-CB 4.33Å; K66-E68 HydrophobicContact CD-CG 4.43Å; K66-E68 WeakPolarHBondContact CD-OE1 3.05Å; K66-E68 VanDerWaalsContact NZ-CD 3.32Å; K66-E68 IonicContact NZ-OE1 2.76Å; K66-E68 PolarHBondContact NZ-OE1 3.16Å; K66-E68 IonicContact NZ-OE2 2.75Å; K66-E68 PolarHBondContact NZ-OE2 3.47Å; K66-E68 PolarHBondContact O-N 3.05Å; K66-E69 HydrophobicContact CB-CB 4.45Å; K66-E69 HydrophobicContact CB-CG 4.14Å; K66-E69 WeakPolarHBondContact CB-OE1 3.29Å; K66-E69 VanDerWaalsContact CD-OE1 3.31Å; K66-E69 WeakPolarHBondContact CD-OE1 3.46Å; K66-E69 VanDerWaalsContact CG-OE1 3.3Å; K66-E69 WeakPolarHBondContact CG-OE1 3.38Å; K66-E69 PolarHBondContact O-N 3.45Å
67K76.4Confident81.2Confident116 Ų11663.2 Ų63.250%0.50433%0.327SS..G310 helixtrans-59-36.4169-168.1-167.6172.4-146.90111.4D51 E69 L70D51-K67 PolarHBondContact O-N 3.39Å; K67-E69 PolarHBondContact O-N 3.11Å; K67-L70 PolarHBondContact O-N 3.35Å
68E73.8Confident80.9Confident85 Ų8564.7 Ų64.740%0.39733%0.333SS..G310 helixtrans-53.8-31.1172.2-62.1163.2-129.300113.5K66K66-E68 HydrophobicContact CB-CB 4.13Å; K66-E68 HydrophobicContact CD-CB 4.33Å; K66-E68 HydrophobicContact CD-CG 4.43Å; K66-E68 WeakPolarHBondContact CD-OE1 3.05Å; K66-E68 VanDerWaalsContact NZ-CD 3.32Å; K66-E68 IonicContact NZ-OE1 2.76Å; K66-E68 PolarHBondContact NZ-OE1 3.16Å; K66-E68 IonicContact NZ-OE2 2.75Å; K66-E68 PolarHBondContact NZ-OE2 3.47Å; K66-E68 PolarHBondContact O-N 3.05Å
69E80.4Confident80.9Confident81 Ų8162 Ų6238%0.37932%0.318SS..G310 helixtrans-93.70.8-173.4-67.8169.1-129.300113.1P34 V65 K66 K67P34-E69 WeakPolarHBondContact CD-O 3.5Å; V65-E69 HydrophobicContact CG1-CB 4.09Å; K66-E69 HydrophobicContact CB-CB 4.45Å; K66-E69 HydrophobicContact CB-CG 4.14Å; K66-E69 WeakPolarHBondContact CB-OE1 3.29Å; K66-E69 VanDerWaalsContact CD-OE1 3.31Å; K66-E69 WeakPolarHBondContact CD-OE1 3.46Å; K66-E69 VanDerWaalsContact CG-OE1 3.3Å; K66-E69 WeakPolarHBondContact CG-OE1 3.38Å; K66-E69 PolarHBondContact O-N 3.45Å; K67-E69 PolarHBondContact O-N 3.11Å
70L83.3Confident81.3Confident35 Ų3557.4 Ų57.418%0.18329%0.292CS..  trans-92.8115.9176.7-57.3-170.4000110.8I33 I45 A53 V55 V65 K67I33-L70 HydrophobicContact CG2-CD2 3.6Å; I45-L70 HydrophobicContact CD1-CD1 3.89Å; I45-L70 HydrophobicContact CG1-CD1 4.11Å; A53-L70 HydrophobicContact CB-CD1 3.7Å; V55-L70 HydrophobicContact CG1-CD1 4.45Å; V55-L70 HydrophobicContact CG1-CD2 3.88Å; V65-L70 HydrophobicContact CB-CD2 4.25Å; V65-L70 HydrophobicContact CG2-CD2 3.82Å; K67-L70 PolarHBondContact O-N 3.35Å
71Q84.5Confident81.5Confident43 Ų4355.4 Ų55.420%0.20127%0.27CS..EExtended strand (participates in β ladder)trans-97.4141.1169.6-59.1-174.6-3.600110.1C31 W32 N91 D92C31-Q71 CarbonylContact C-O 3.51Å; C31-Q71 WeakPolarHBondContact CA-O 3.5Å; C31-Q71 WeakPolarHBondContact CB-O 3.36Å; W32-Q71 HydrophobicContact CB-CB 4.23Å; W32-Q71 PolarHBondContact N-O 3.29Å; W32-Q71 PolarHBondContact O-N 3.09Å; W32-Q71 VanDerWaalsContact O-N 3.13Å; Q71-N91 HydrophobicContact CB-CB 4.26Å; Q71-N91 HydrophobicContact CG-CB 4.44Å; Q71-D92 PolarHBondContact NE2-OD2 3.14Å
72E81.9Confident81.6Confident49 Ų4953.1 Ų53.123%0.22926%0.257CS..EExtended strand (participates in β ladder)trans-70.9141.2-179-68-174.8102.100112.9F89 N91 H1479E72-F89 HydrophobicContact CB-CB 4.26Å; E72-F89 HydrophobicContact CB-CD1 3.57Å; E72-F89 HydrophobicContact CB-CE1 4.02Å; E72-F89 HydrophobicContact CB-CG 3.9Å; E72-F89 HydrophobicContact CG-CD1 4.2Å; E72-F89 HydrophobicContact CG-CE1 4.33Å; E72-F89 WeakPolarHBondContact OE1-CE1 2.94Å; E72-F89 WeakPolarHBondContact OE2-CD1 3.49Å; E72-F89 VanDerWaalsContact OE2-CE1 3.24Å; E72-F89 WeakPolarHBondContact OE2-CE1 3.34Å; E72-N91 PolarHBondContact N-ND2 3.18Å; E72-N91 PolarHBondContact O-ND2 2.96Å; E72-H1479 IonicContact OE2-CE1 3.67Å; E72-H1479 PolarHBondContact OE2-CE1 3.39Å; E72-H1479 IonicContact OE2-ND1 3.27Å
73M83.8Confident81.5Confident31 Ų3150 Ų5015%0.15324%0.243CC..PPolyproline II helixtrans-91.3132.3-179.1-163.4177.898.300111.4Y25 S30 W32Y25-M73 HydrophobicContact CD2-CE 3.74Å; Y25-M73 HydrophobicContact CE2-CB 4.44Å; Y25-M73 HydrophobicContact CE2-CE 4.06Å; Y25-M73 VanDerWaalsContact CE2-O 3.25Å; Y25-M73 WeakPolarHBondContact CE2-O 3.15Å; Y25-M73 PolarHBondContact OH-O 3.25Å; S30-M73 WeakPolarHBondContact O-CB 3.18Å; S30-M73 PolarHBondContact O-N 3.22Å; W32-M73 HydrophobicContact CD2-CG 4.38Å; W32-M73 HydrophobicContact CH2-CG 4.4Å; W32-M73 HydrophobicContact CH2-SD 4.39Å; W32-M73 HydrophobicContact CZ2-CG 3.72Å; W32-M73 HydrophobicContact CZ2-SD 4.28Å
74N82.3Confident81.5Confident18 Ų1847 Ų4710%0.09623%0.23CC..PPolyproline II helixtrans-65.5147.4175.4-86.3-79.6000113Y25 T88 F89 S94Y25-N74 WeakPolarHBondContact CE2-O 3.46Å; N74-T88 PolarHBondContact OD1-N 3.29Å; N74-F89 PolarHBondContact ND2-O 3.36Å; N74-F89 PolarHBondContact OD1-N 2.94Å; N74-S94 WeakPolarHBondContact ND2-CB 3.29Å; N74-S94 PolarHBondContact ND2-OG 3.45Å
75P79.2Confident81Confident29 Ų2943.5 Ų43.519%0.18821%0.21CC..PPolyproline II helixtrans-60.9142169.6-20.831.3000111.5Y25 K77 F78Y25-P75 HydrophobicContact CD1-CB 4.26Å; Y25-P75 HydrophobicContact CE1-CB 3.98Å; Y25-P75 HydrophobicContact CE1-CG 3.82Å; P75-K77 HydrophobicContact CB-CG 4.41Å; P75-K77 PolarHBondContact O-N 2.99Å; P75-F78 HydrophobicContact CB-CD2 4.28Å; P75-F78 HydrophobicContact CB-CE2 4.47Å; P75-F78 HydrophobicContact CG-CD2 4.33Å; P75-F78 HydrophobicContact CG-CE2 4.25Å; P75-F78 PolarHBondContact O-N 3.04Å
76P79.5Confident80.6Confident20 Ų2047.5 Ų47.513%0.1323%0.231CC..G310 helixtrans-58.6-12.1-179.9-28.335.8000116.2D20 K23 F78 E79D20-P76 WeakPolarHBondContact O-CB 3.48Å; K23-P76 HydrophobicContact CB-CB 3.99Å; K23-P76 HydrophobicContact CB-CG 3.88Å; P76-F78 PolarHBondContact O-N 3.26Å; P76-F78 VanDerWaalsContact O-N 3.13Å; P76-E79 WeakPolarHBondContact O-CB 3.39Å; P76-E79 PolarHBondContact O-N 2.8Å; P76-E79 VanDerWaalsContact O-N 3.14Å
77K74.4Confident80.2Confident112 Ų11243.6 Ų43.649%0.48721%0.214SC..G310 helixtrans-62.4-13.3170.583.7175-170.4172.20113.8P75 E1493P75-K77 HydrophobicContact CB-CG 4.41Å; P75-K77 PolarHBondContact O-N 2.99Å; K77-E1493 IonicContact NZ-OE1 2.73Å; K77-E1493 PolarHBondContact NZ-OE1 2.89Å; K77-E1493 IonicContact NZ-OE2 2.68Å; K77-E1493 PolarHBondContact NZ-OE2 3.18Å
78F76.8Confident79.9Confident38 Ų3839.6 Ų39.617%0.16720%0.199CC..G310 helixtrans-108.39.1177.1-58.7-77.6000113.7P75 P76 K80 A81 N86 L87 T88P75-F78 HydrophobicContact CB-CD2 4.28Å; P75-F78 HydrophobicContact CB-CE2 4.47Å; P75-F78 HydrophobicContact CG-CD2 4.33Å; P75-F78 HydrophobicContact CG-CE2 4.25Å; P75-F78 PolarHBondContact O-N 3.04Å; P76-F78 PolarHBondContact O-N 3.26Å; P76-F78 VanDerWaalsContact O-N 3.13Å; F78-K80 PolarHBondContact O-N 2.85Å; F78-A81 WeakPolarHBondContact O-CB 3.21Å; F78-A81 PolarHBondContact O-N 3.33Å; F78-N86 WeakPolarHBondContact CD1-O 3.35Å; F78-N86 WeakPolarHBondContact CE1-O 3.11Å; F78-L87 HydrophobicContact CB-CD2 4Å; F78-T88 WeakPolarHBondContact CE2-OG1 3.33Å; F78-T88 WeakPolarHBondContact CZ-OG1 3.34Å
79E80.6Confident79.9Confident34 Ų3436.1 Ų36.116%0.15918%0.183CC..THydrogen-bonded Turntrans-66.3127.1177-163.8173.9161.400110.2D20 K23 P76 A81 Q101D20-E79 HydrophobicContact CB-CB 4.25Å; K23-E79 WeakPolarHBondContact CD-OE2 3.3Å; K23-E79 IonicContact NZ-OE1 2.82Å; K23-E79 PolarHBondContact NZ-OE1 2.85Å; K23-E79 IonicContact NZ-OE2 3.73Å; K23-E79 PolarHBondContact NZ-OE2 2.69Å; P76-E79 WeakPolarHBondContact O-CB 3.39Å; P76-E79 PolarHBondContact O-N 2.8Å; P76-E79 VanDerWaalsContact O-N 3.14Å; E79-A81 VanDerWaalsContact C-N 3.29Å; E79-A81 PolarHBondContact O-N 2.97Å; E79-Q101 HydrophobicContact CG-CG 4.45Å
80K86Confident79.8Confident22 Ų2234.2 Ų34.210%0.09618%0.175CC..THydrogen-bonded Turntrans65.321.8-173.5-55.5151-169.91570114.8D20 F78 E82 N98 Q101 R102D20-K80 IonicContact OD1-NZ 3.73Å; D20-K80 IonicContact OD2-NZ 2.89Å; D20-K80 PolarHBondContact OD2-NZ 2.77Å; F78-K80 PolarHBondContact O-N 2.85Å; K80-E82 PolarHBondContact O-N 3Å; K80-N98 WeakPolarHBondContact CA-OD1 3.18Å; K80-N98 PolarHBondContact N-OD1 2.76Å; K80-Q101 HydrophobicContact CG-CB 3.81Å; K80-R102 HydrophobicContact CB-CG 3.99Å; K80-R102 HydrophobicContact CG-CG 4.38Å; K80-R102 PolarHBondContact O-NH1 2.69Å
81A83.6Confident79.8Confident16 Ų1633.6 Ų33.613%0.13217%0.172CC..  trans-44.7133.8177.500000113.6F78 E79 L87 N98 R102F78-A81 WeakPolarHBondContact O-CB 3.21Å; F78-A81 PolarHBondContact O-N 3.33Å; E79-A81 VanDerWaalsContact C-N 3.29Å; E79-A81 PolarHBondContact O-N 2.97Å; A81-L87 HydrophobicContact CB-CD2 4.18Å; A81-N98 PolarHBondContact N-OD1 2.83Å; A81-N98 PolarHBondContact O-ND2 3.3Å; A81-R102 WeakPolarHBondContact O-CD 3.18Å
82E86Confident79.7Confident49 Ų4934.2 Ų34.223%0.22918%0.177CC..SBendtrans-72.9-33.5-174.2-72.1180169.200113.5R11 K80 Y111 P146R11-E82 IonicContact CZ-OE1 2.66Å; R11-E82 IonicContact CZ-OE2 3.12Å; R11-E82 IonicContact NE-OE1 3.92Å; R11-E82 PolarHBondContact NE-OE1 2.73Å; R11-E82 IonicContact NE-OE2 2.7Å; R11-E82 IonicContact NH2-OE1 2.66Å; R11-E82 PolarHBondContact NH2-OE1 2.62Å; R11-E82 IonicContact NH2-OE2 2.83Å; R11-E82 PolarHBondContact NH2-OE2 3.29Å; K80-E82 PolarHBondContact O-N 3Å; E82-Y111 PolarHBondContact O-N 2.74Å; E82-P146 HydrophobicContact CB-CG 3.73Å; E82-P146 HydrophobicContact CG-CG 4.18Å; E82-P146 WeakPolarHBondContact O-CG 3.36Å
83D83.6Confident80Confident23 Ų2331.9 Ų31.912%0.12317%0.166CC..BIsolated β-bridgetrans-121.9131.6169.9-159.1-44.3000110.4A85 N86 Y111 S112 G113 R141D83-A85 VanDerWaalsContact C-N 3.3Å; D83-A85 PolarHBondContact O-N 2.71Å; D83-A85 WeakPolarHBondContact OD1-CB 3.49Å; D83-A85 PolarHBondContact OD1-N 3.05Å; D83-N86 PolarHBondContact O-N 3.11Å; D83-Y111 VanDerWaalsContact CG-CB 3.43Å; D83-Y111 WeakPolarHBondContact OD2-CB 3.46Å; D83-S112 PolarHBondContact OD1-N 3.44Å; D83-G113 PolarHBondContact OD1-N 3.39Å; D83-R141 IonicContact OD2-CZ 3.9Å; D83-R141 IonicContact OD2-NH2 3.16Å; D83-R141 PolarHBondContact OD2-NH2 2.77Å
84M82.9Confident80.2Confident1 Ų130.7 Ų30.71%0.00516%0.16CC..G310 helixtrans-77.7-13.3-179.4-62.6-164.4-69.400113.7N86 L87 V95 N98 L99 T110 Y111 S112 V117 I715M84-N86 PolarHBondContact O-N 2.83Å; M84-L87 HydrophobicContact CB-CD1 4.08Å; M84-L87 HydrophobicContact CG-CD1 4.31Å; M84-L87 WeakPolarHBondContact O-CG 3.02Å; M84-L87 PolarHBondContact O-N 3.39Å; M84-V95 HydrophobicContact CE-CG1 4.08Å; M84-V95 HydrophobicContact SD-CB 4.48Å; M84-V95 HydrophobicContact SD-CG1 3.92Å; M84-N98 HydrophobicContact SD-CB 4.48Å; M84-L99 HydrophobicContact CE-CD1 4.14Å; M84-L99 HydrophobicContact CE-CD2 3.94Å; M84-L99 HydrophobicContact CE-CG 4.1Å; M84-L99 HydrophobicContact SD-CD1 4.38Å; M84-L99 HydrophobicContact SD-CD2 4.08Å; M84-L99 HydrophobicContact SD-CG 3.9Å; M84-T110 HydrophobicContact CE-CG2 4.46Å; M84-T110 HydrophobicContact CG-CG2 3.91Å; M84-T110 HydrophobicContact SD-CG2 4.3Å; M84-Y111 PolarHBondContact N-O 2.69Å; M84-S112 WeakPolarHBondContact CE-OG 3.08Å; M84-V117 HydrophobicContact CE-CG2 4.27Å; M84-I715 HydrophobicContact CB-CD1 3.89Å; M84-I715 HydrophobicContact CE-CD1 4.11Å
85A75.4Confident80.5Confident10 Ų1029.9 Ų29.98%0.08316%0.156CC..G310 helixtrans-62-26168.700000112.7D83 L87 I715D83-A85 VanDerWaalsContact C-N 3.3Å; D83-A85 PolarHBondContact O-N 2.71Å; D83-A85 WeakPolarHBondContact OD1-CB 3.49Å; D83-A85 PolarHBondContact OD1-N 3.05Å; A85-L87 VanDerWaalsContact C-N 3.32Å; A85-L87 PolarHBondContact O-N 2.88Å; A85-I715 HydrophobicContact CB-CG2 4.45Å
86N74.6Confident81Confident99 Ų9928.5 Ų28.553%0.52915%0.147SC..G310 helixtrans-82.9-2.1-178.9-63.4-15.1000113.8F78 D83 M84 T88F78-N86 WeakPolarHBondContact CD1-O 3.35Å; F78-N86 WeakPolarHBondContact CE1-O 3.11Å; D83-N86 PolarHBondContact O-N 3.11Å; M84-N86 PolarHBondContact O-N 2.83Å; N86-T88 PolarHBondContact O-N 2.95Å
87L74.8Confident81.5Confident5 Ų529.6 Ų29.63%0.02615%0.15CC..  trans-68.2129.4177.6-65.1175.9000110.5F78 A81 M84 A85 V95 R719F78-L87 HydrophobicContact CB-CD2 4Å; A81-L87 HydrophobicContact CB-CD2 4.18Å; M84-L87 HydrophobicContact CB-CD1 4.08Å; M84-L87 HydrophobicContact CG-CD1 4.31Å; M84-L87 WeakPolarHBondContact O-CG 3.02Å; M84-L87 PolarHBondContact O-N 3.39Å; A85-L87 VanDerWaalsContact C-N 3.32Å; A85-L87 PolarHBondContact O-N 2.88Å; L87-V95 HydrophobicContact CD1-CG2 4.41Å; L87-R719 PolarHBondContact O-NH1 2.69Å
88T70.7Confident82.3Confident31 Ų3124.5 Ų24.519%0.1913%0.128CC..SBendtrans-63-48.5-179.3-62.50000111.4N74 F78 N86 R719 L1482 N1486N74-T88 PolarHBondContact OD1-N 3.29Å; F78-T88 WeakPolarHBondContact CE2-OG1 3.33Å; F78-T88 WeakPolarHBondContact CZ-OG1 3.34Å; N86-T88 PolarHBondContact O-N 2.95Å; T88-R719 PolarHBondContact O-NH1 2.75Å; T88-R719 PolarHBondContact O-NH2 2.72Å; T88-L1482 WeakPolarHBondContact O-CD1 3.23Å; T88-N1486 VanDerWaalsContact CG2-OD1 3.3Å; T88-N1486 WeakPolarHBondContact CG2-OD1 3.37Å
89F74.2Confident83Confident13 Ų1322.7 Ų22.76%0.05712%0.121CC..SBendtrans-106.8115.4175.3-54.5-89.1000109E72 N74 L1482 N1486E72-F89 HydrophobicContact CB-CB 4.26Å; E72-F89 HydrophobicContact CB-CD1 3.57Å; E72-F89 HydrophobicContact CB-CE1 4.02Å; E72-F89 HydrophobicContact CB-CG 3.9Å; E72-F89 HydrophobicContact CG-CD1 4.2Å; E72-F89 HydrophobicContact CG-CE1 4.33Å; E72-F89 WeakPolarHBondContact OE1-CE1 2.94Å; E72-F89 WeakPolarHBondContact OE2-CD1 3.49Å; E72-F89 VanDerWaalsContact OE2-CE1 3.24Å; E72-F89 WeakPolarHBondContact OE2-CE1 3.34Å; N74-F89 PolarHBondContact ND2-O 3.36Å; N74-F89 PolarHBondContact OD1-N 2.94Å; F89-L1482 HydrophobicContact CD1-CD2 3.85Å; F89-L1482 HydrophobicContact CD1-CG 4.27Å; F89-N1486 WeakPolarHBondContact CE1-ND2 3.42Å
90L78.3Confident83.6Confident41 Ų4122.1 Ų22.122%0.21512%0.117CC..  trans-95.6101.4-179.8-176.766.4000109.6V95 I715 R716L90-V95 HydrophobicContact CD1-CG2 3.9Å; L90-I715 HydrophobicContact CD1-CB 4.21Å; L90-I715 HydrophobicContact CD1-CD1 4.44Å; L90-I715 HydrophobicContact CD1-CG2 3.66Å; L90-I715 HydrophobicContact CD2-CB 4.09Å; L90-I715 HydrophobicContact CD2-CG2 3.78Å; L90-I715 HydrophobicContact CG-CG2 4.39Å; L90-R716 HydrophobicContact CD2-CB 4.14Å
91N82.1Confident83.7Confident22 Ų2223.3 Ų23.312%0.11812%0.123CC..  trans-148158.7177.755.544.4000111.1Q71 E72 A93 S94 V95Q71-N91 HydrophobicContact CB-CB 4.26Å; Q71-N91 HydrophobicContact CG-CB 4.44Å; E72-N91 PolarHBondContact N-ND2 3.18Å; E72-N91 PolarHBondContact O-ND2 2.96Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.35Å; N91-S94 PolarHBondContact O-N 3.04Å; N91-S94 WeakPolarHBondContact OD1-CB 3.25Å; N91-S94 PolarHBondContact OD1-N 2.79Å; N91-S94 PolarHBondContact OD1-OG 2.59Å; N91-V95 PolarHBondContact O-N 2.95Å
92D83.6Confident84.1Confident56 Ų5622.6 Ų22.630%0.29912%0.117SC..Hα-helixtrans-54.5-43.1-173-22.3-36.9000111.5F40 Q71 S94 V95 L96 L703 L712F40-D92 HydrophobicContact CE2-CB 4.03Å; F40-D92 HydrophobicContact CZ-CB 4.33Å; Q71-D92 PolarHBondContact NE2-OD2 3.14Å; D92-S94 PolarHBondContact O-N 2.83Å; D92-V95 PolarHBondContact O-N 3.28Å; D92-L96 WeakPolarHBondContact O-CB 3.47Å; D92-L96 PolarHBondContact O-N 3.38Å; D92-L703 HydrophobicContact CB-CD2 4.09Å; D92-L712 HydrophobicContact CB-CD1 4.32Å; D92-L712 WeakPolarHBondContact OD1-CD1 3.42Å
93A87.7Confident84.4Confident0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-62.1-40.817800000112.7W32 F40 N91 H97W32-A93 HydrophobicContact CB-CB 3.48Å; W32-A93 VanDerWaalsContact CB-CB 3.48Å; W32-A93 VanDerWaalsContact CD1-CB 3.42Å; W32-A93 HydrophobicContact CD2-CB 3.91Å; W32-A93 HydrophobicContact CG-CB 3.32Å; F40-A93 HydrophobicContact CB-CB 3.63Å; F40-A93 HydrophobicContact CD1-CB 3.69Å; F40-A93 HydrophobicContact CD2-CB 3.84Å; F40-A93 HydrophobicContact CE1-CB 4.26Å; F40-A93 HydrophobicContact CE2-CB 4.4Å; F40-A93 HydrophobicContact CG-CB 3.45Å; F40-A93 VanDerWaalsContact CG-CB 3.45Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.35Å; A93-H97 WeakPolarHBondContact O-CB 2.91Å; A93-H97 PolarHBondContact O-N 2.66Å
94S87.8Confident84.7Confident5 Ų524.8 Ų24.84%0.03512%0.122CC..Hα-helixtrans-73.7-37178.2-63.80000113W32 N74 N91 D92 H97 N98W32-S94 PolarHBondContact NE1-OG 3.23Å; W32-S94 VanDerWaalsContact NE1-OG 3.16Å; N74-S94 WeakPolarHBondContact ND2-CB 3.29Å; N74-S94 PolarHBondContact ND2-OG 3.45Å; N91-S94 PolarHBondContact O-N 3.04Å; N91-S94 WeakPolarHBondContact OD1-CB 3.25Å; N91-S94 PolarHBondContact OD1-N 2.79Å; N91-S94 PolarHBondContact OD1-OG 2.59Å; D92-S94 PolarHBondContact O-N 2.83Å; S94-H97 PolarHBondContact O-N 3.43Å; S94-N98 WeakPolarHBondContact O-CB 2.94Å; S94-N98 PolarHBondContact O-N 2.75Å
95V88.4Confident84.9Confident1 Ų126.7 Ų26.71%0.00614%0.135CC..Hα-helixtrans-65.3-49.8173.7170.60000110.2M84 L87 L90 N91 D92 H97 N98 L99 L706 L712M84-V95 HydrophobicContact CE-CG1 4.08Å; M84-V95 HydrophobicContact SD-CB 4.48Å; M84-V95 HydrophobicContact SD-CG1 3.92Å; L87-V95 HydrophobicContact CD1-CG2 4.41Å; L90-V95 HydrophobicContact CD1-CG2 3.9Å; N91-V95 PolarHBondContact O-N 2.95Å; D92-V95 PolarHBondContact O-N 3.28Å; V95-H97 VanDerWaalsContact C-N 3.32Å; V95-H97 PolarHBondContact O-N 3.26Å; V95-N98 PolarHBondContact O-N 2.8Å; V95-L99 HydrophobicContact CG1-CD1 3.97Å; V95-L99 WeakPolarHBondContact O-CB 3.13Å; V95-L99 WeakPolarHBondContact O-CG 3.13Å; V95-L99 PolarHBondContact O-N 3.27Å; V95-L706 HydrophobicContact CG1-CD1 4.1Å; V95-L706 HydrophobicContact CG1-CD2 4.28Å; V95-L712 HydrophobicContact CB-CD2 4.32Å; V95-L712 HydrophobicContact CG2-CD2 3.74Å
96L90.8Very high85.6Confident1 Ų128.2 Ų28.21%0.00514%0.141CC..Hα-helixtrans-57-44.5173.6177.769.8000111.4F40 D92 R100 A699 V702 L703F40-L96 HydrophobicContact CD2-CD2 4.16Å; D92-L96 WeakPolarHBondContact O-CB 3.47Å; D92-L96 PolarHBondContact O-N 3.38Å; L96-R100 WeakPolarHBondContact O-CB 3.01Å; L96-R100 PolarHBondContact O-N 2.66Å; L96-A699 HydrophobicContact CD2-CB 4.12Å; L96-V702 HydrophobicContact CD1-CB 4.19Å; L96-V702 HydrophobicContact CD1-CG1 3.84Å; L96-L703 HydrophobicContact CB-CD2 4.12Å; L96-L703 HydrophobicContact CD1-CG 4.35Å; L96-L703 HydrophobicContact CD2-CD1 4.04Å; L96-L703 HydrophobicContact CD2-CD2 4.08Å; L96-L703 HydrophobicContact CD2-CG 3.98Å; L96-L703 HydrophobicContact CG-CD2 4.47Å
97H90Very high86.4Confident43 Ų4323.8 Ų23.820%0.19912%0.117CC..Hα-helixtrans-64.6-46179.9-176.689.2000112.2W32 A93 S94 V95 R100 Q101W32-H97 HydrophobicContact CH2-CB 4.04Å; W32-H97 AromaticContact CH2-CE1 3.67Å; W32-H97 AromaticContact CH2-CG 3.58Å; W32-H97 AromaticContact CH2-ND1 3.22Å; W32-H97 WeakPolarHBondContact CH2-ND1 3.05Å; W32-H97 HydrophobicContact CZ2-CB 3.88Å; W32-H97 AromaticContact CZ2-CG 3.72Å; W32-H97 AromaticContact CZ2-ND1 3.87Å; W32-H97 AromaticContact CZ3-ND1 3.99Å; A93-H97 WeakPolarHBondContact O-CB 2.91Å; A93-H97 PolarHBondContact O-N 2.66Å; S94-H97 PolarHBondContact O-N 3.43Å; V95-H97 VanDerWaalsContact C-N 3.32Å; V95-H97 PolarHBondContact O-N 3.26Å; H97-R100 PolarHBondContact O-N 2.85Å; H97-Q101 PolarHBondContact CE1-NE2 2.79Å; H97-Q101 WeakPolarHBondContact O-CG 3.36Å; H97-Q101 PolarHBondContact O-N 3.45Å
98N90.8Very high87.2Confident4 Ų423.8 Ų23.82%0.02112%0.117CC..Hα-helixtrans-61.7-48.2178.8-171.444000111.3K80 A81 M84 S94 V95 R100 Q101 R102K80-N98 WeakPolarHBondContact CA-OD1 3.18Å; K80-N98 PolarHBondContact N-OD1 2.76Å; A81-N98 PolarHBondContact N-OD1 2.83Å; A81-N98 PolarHBondContact O-ND2 3.3Å; M84-N98 HydrophobicContact SD-CB 4.48Å; S94-N98 WeakPolarHBondContact O-CB 2.94Å; S94-N98 PolarHBondContact O-N 2.75Å; V95-N98 PolarHBondContact O-N 2.8Å; N98-R100 VanDerWaalsContact C-N 3.35Å; N98-R100 PolarHBondContact O-N 2.61Å; N98-Q101 PolarHBondContact O-N 3.16Å; N98-R102 WeakPolarHBondContact O-CB 3.48Å; N98-R102 WeakPolarHBondContact O-CG 3.45Å; N98-R102 PolarHBondContact O-N 3.38Å
99L91.5Very high88.3Confident1 Ų122.5 Ų22.51%0.00511%0.109CC..Hα-helixtrans-60.1-42.5176.5-71.9174.8000112.1M84 V95 R102 Y103 T110 V117 I119 L706M84-L99 HydrophobicContact CE-CD1 4.14Å; M84-L99 HydrophobicContact CE-CD2 3.94Å; M84-L99 HydrophobicContact CE-CG 4.1Å; M84-L99 HydrophobicContact SD-CD1 4.38Å; M84-L99 HydrophobicContact SD-CD2 4.08Å; M84-L99 HydrophobicContact SD-CG 3.9Å; V95-L99 HydrophobicContact CG1-CD1 3.97Å; V95-L99 WeakPolarHBondContact O-CB 3.13Å; V95-L99 WeakPolarHBondContact O-CG 3.13Å; V95-L99 PolarHBondContact O-N 3.27Å; L99-R102 PolarHBondContact O-N 2.95Å; L99-Y103 VanDerWaalsContact O-CB 3.28Å; L99-Y103 WeakPolarHBondContact O-CB 3.42Å; L99-Y103 PolarHBondContact O-N 2.6Å; L99-T110 HydrophobicContact CD2-CG2 4.33Å; L99-V117 HydrophobicContact CD1-CG1 4.31Å; L99-V117 HydrophobicContact CD2-CB 4.41Å; L99-V117 HydrophobicContact CD2-CG1 3.94Å; L99-I119 HydrophobicContact CB-CD1 3.9Å; L99-I119 HydrophobicContact CD2-CD1 4.22Å; L99-L706 HydrophobicContact CD1-CD1 3.99Å; L99-L706 HydrophobicContact CD1-CD2 3.73Å; L99-L706 HydrophobicContact CD1-CG 4.45Å
100R91.9Very high89.1Confident21 Ų2121.9 Ų21.98%0.07911%0.107CC..Hα-helixtrans-60.6-47.4175.4173.6158.754.1149.2-9.8112.1E38 F40 L96 H97 N98 Y104 I697E38-R100 IonicContact OE2-CZ 2.64Å; E38-R100 IonicContact OE2-NH1 2.63Å; E38-R100 PolarHBondContact OE2-NH1 3.41Å; F40-R100 PolarHBondContact O-NH2 3.15Å; L96-R100 WeakPolarHBondContact O-CB 3.01Å; L96-R100 PolarHBondContact O-N 2.66Å; H97-R100 PolarHBondContact O-N 2.85Å; N98-R100 VanDerWaalsContact C-N 3.35Å; N98-R100 PolarHBondContact O-N 2.61Å; R100-Y104 HydrophobicContact CG-CD2 4.01Å; R100-Y104 HydrophobicContact CG-CE2 3.53Å; R100-Y104 WeakPolarHBondContact O-CD2 3.21Å; R100-Y104 PolarHBondContact O-N 2.66Å; R100-I697 HydrophobicContact CB-CD1 4.46Å; R100-I697 HydrophobicContact CG-CG2 4.18Å
101Q89.7Confident89.6Confident47 Ų4720.4 Ų20.422%0.2210%0.098CC..Hα-helixtrans-68.2-36.7178-66.3-57.7-18.900113.1E79 K80 H97 N98 S105E79-Q101 HydrophobicContact CG-CG 4.45Å; K80-Q101 HydrophobicContact CG-CB 3.81Å; H97-Q101 PolarHBondContact CE1-NE2 2.79Å; H97-Q101 WeakPolarHBondContact O-CG 3.36Å; H97-Q101 PolarHBondContact O-N 3.45Å; N98-Q101 PolarHBondContact O-N 3.16Å; Q101-S105 WeakPolarHBondContact O-CB 3.45Å; Q101-S105 PolarHBondContact O-N 3.17Å; Q101-S105 VanDerWaalsContact O-N 3.12Å; Q101-S105 PolarHBondContact O-OG 2.6Å
102R91.5Very high89.7Confident2 Ų219.3 Ų19.31%0.0089%0.093CC..Hα-helixtrans-67.1-46.3175-72.1-17865.981.34.1111.3K80 A81 N98 L99 Y104 S105 M106 L107 Y109 T110K80-R102 HydrophobicContact CB-CG 3.99Å; K80-R102 HydrophobicContact CG-CG 4.38Å; K80-R102 PolarHBondContact O-NH1 2.69Å; A81-R102 WeakPolarHBondContact O-CD 3.18Å; N98-R102 WeakPolarHBondContact O-CB 3.48Å; N98-R102 WeakPolarHBondContact O-CG 3.45Å; N98-R102 PolarHBondContact O-N 3.38Å; L99-R102 PolarHBondContact O-N 2.95Å; R102-Y104 PolarHBondContact O-N 2.91Å; R102-S105 CarbonylContact O-C 3.47Å; R102-S105 WeakPolarHBondContact O-CA 3.05Å; R102-S105 WeakPolarHBondContact O-CB 3.29Å; R102-S105 PolarHBondContact O-N 2.71Å; R102-M106 PolarHBondContact O-N 3.28Å; R102-L107 CarbonylContact C-O 3.46Å; R102-L107 HydrophobicContact CB-CB 4.08Å; R102-L107 WeakPolarHBondContact O-CA 3.22Å; R102-L107 WeakPolarHBondContact O-CB 3.12Å; R102-L107 PolarHBondContact O-N 3.36Å; R102-Y109 PolarHBondContact NH2-O 2.72Å; R102-T110 WeakPolarHBondContact CD-OG1 3.38Å; R102-T110 PolarHBondContact NE-OG1 2.74Å
103Y91.6Very high89.3Confident2 Ų217.1 Ų17.11%0.0088%0.083CC..Hα-helixtrans-60.8-44.7176.3-179.8-107.1000113.3L99 S105 M106 I119 P688 G695 L696 I697L99-Y103 VanDerWaalsContact O-CB 3.28Å; L99-Y103 WeakPolarHBondContact O-CB 3.42Å; L99-Y103 PolarHBondContact O-N 2.6Å; Y103-S105 PolarHBondContact O-N 3.09Å; Y103-M106 WeakPolarHBondContact O-CA 3.32Å; Y103-M106 PolarHBondContact O-N 3.18Å; Y103-I119 HydrophobicContact CD2-CB 3.93Å; Y103-I119 HydrophobicContact CD2-CG2 3.5Å; Y103-I119 HydrophobicContact CE2-CB 4.45Å; Y103-I119 HydrophobicContact CE2-CG2 3.69Å; Y103-I119 HydrophobicContact CG-CG2 4.18Å; Y103-P688 HydrophobicContact CE1-CB 4.2Å; Y103-P688 HydrophobicContact CE2-CB 4.19Å; Y103-P688 HydrophobicContact CE2-CG 4.32Å; Y103-P688 WeakPolarHBondContact OH-CG 3.48Å; Y103-G695 PolarHBondContact OH-N 2.77Å; Y103-G695 VanDerWaalsContact OH-N 3.14Å; Y103-L696 VanDerWaalsContact CE1-O 3.3Å; Y103-L696 WeakPolarHBondContact CE1-O 3.33Å; Y103-L696 PolarHBondContact OH-O 2.63Å; Y103-I697 HydrophobicContact CD1-CB 4.06Å; Y103-I697 HydrophobicContact CD1-CD1 4.29Å; Y103-I697 HydrophobicContact CE1-CB 4.08Å
104Y90.6Very high88.8Confident116 Ų11620.8 Ų20.846%0.45510%0.102SC..Hα-helixtrans-62.8-28.1172.9-68.1-30.2000113.1R100 R102 M106 G695 I697R100-Y104 HydrophobicContact CG-CD2 4.01Å; R100-Y104 HydrophobicContact CG-CE2 3.53Å; R100-Y104 WeakPolarHBondContact O-CD2 3.21Å; R100-Y104 PolarHBondContact O-N 2.66Å; R102-Y104 PolarHBondContact O-N 2.91Å; Y104-M106 PolarHBondContact O-N 3.02Å; Y104-G695 WeakPolarHBondContact CE1-O 2.99Å; Y104-I697 HydrophobicContact CE1-CG2 3.84Å
105S87.7Confident88.6Confident41 Ų4120.8 Ų20.829%0.28710%0.101SC..THydrogen-bonded Turntrans-79.84.1171.8-52.20000113.4Q101 R102 Y103 L107Q101-S105 WeakPolarHBondContact O-CB 3.45Å; Q101-S105 PolarHBondContact O-N 3.17Å; Q101-S105 VanDerWaalsContact O-N 3.12Å; Q101-S105 PolarHBondContact O-OG 2.6Å; R102-S105 CarbonylContact O-C 3.47Å; R102-S105 WeakPolarHBondContact O-CA 3.05Å; R102-S105 WeakPolarHBondContact O-CB 3.29Å; R102-S105 PolarHBondContact O-N 2.71Å; Y103-S105 PolarHBondContact O-N 3.09Å; S105-L107 PolarHBondContact O-N 2.76Å
106M89.6Confident88.6Confident41 Ų4120.8 Ų20.820%0.20210%0.101CC..THydrogen-bonded Turntrans60.121.4-171.9-62-80.6155.500114.2Y9 R102 Y103 Y104 I108 L125Y9-M106 HydrophobicContact CD1-CB 3.9Å; Y9-M106 HydrophobicContact CE1-CB 4.26Å; R102-M106 PolarHBondContact O-N 3.28Å; Y103-M106 WeakPolarHBondContact O-CA 3.32Å; Y103-M106 PolarHBondContact O-N 3.18Å; Y104-M106 PolarHBondContact O-N 3.02Å; M106-I108 PolarHBondContact O-N 3.04Å; M106-L125 HydrophobicContact CB-CD2 4.44Å; M106-L125 HydrophobicContact SD-CD2 4.23Å
107L90.6Very high88.6Confident6 Ų620.7 Ų20.73%0.03110%0.101CC..  trans-91.387.1174.8-55.4173.6000108.8P12 R102 S105P12-L107 HydrophobicContact CB-CD1 4.37Å; P12-L107 HydrophobicContact CG-CD1 4.35Å; R102-L107 CarbonylContact C-O 3.46Å; R102-L107 HydrophobicContact CB-CB 4.08Å; R102-L107 WeakPolarHBondContact O-CA 3.22Å; R102-L107 WeakPolarHBondContact O-CB 3.12Å; R102-L107 PolarHBondContact O-N 3.36Å; S105-L107 PolarHBondContact O-N 2.76Å
108I92.1Very high88.8Confident5 Ų518.8 Ų18.83%0.0269%0.092CC..  trans-78.9-24.3-168.360.9168000115.2M106 V118 I119 P121 L125 I127M106-I108 PolarHBondContact O-N 3.04Å; I108-V118 WeakPolarHBondContact O-CA 3.3Å; I108-I119 WeakPolarHBondContact CB-O 2.89Å; I108-I119 WeakPolarHBondContact CG2-O 3.03Å; I108-I119 PolarHBondContact O-N 3.34Å; I108-P121 HydrophobicContact CD1-CG 4.11Å; I108-P121 HydrophobicContact CG2-CB 3.83Å; I108-P121 HydrophobicContact CG2-CG 4.07Å; I108-L125 HydrophobicContact CD1-CD1 4.19Å; I108-L125 HydrophobicContact CG1-CD1 4.27Å; I108-L125 HydrophobicContact CG2-CD1 3.83Å; I108-I127 HydrophobicContact CD1-CD1 4.13Å; I108-I127 HydrophobicContact CG1-CD1 4.33Å
109Y93.5Very high88.9Confident4 Ų418.8 Ų18.82%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-97.3140.1179.6-66.1-75.4000110R102 V118 I127 Y128 P146 H147 L148 N181R102-Y109 PolarHBondContact NH2-O 2.72Å; Y109-V118 HydrophobicContact CD1-CB 4.21Å; Y109-V118 HydrophobicContact CD1-CG1 3.72Å; Y109-V118 HydrophobicContact CD1-CG2 3.62Å; Y109-V118 HydrophobicContact CE1-CB 4.2Å; Y109-V118 HydrophobicContact CE1-CG1 3.44Å; Y109-V118 VanDerWaalsContact CE1-CG1 3.44Å; Y109-V118 HydrophobicContact CE1-CG2 3.69Å; Y109-I127 HydrophobicContact CD2-CD1 4.37Å; Y109-I127 HydrophobicContact CE2-CD1 3.92Å; Y109-Y128 HydrophobicContact CE2-CE1 4.31Å; Y109-Y128 PolarHBondContact OH-OH 2.74Å; Y109-P146 VanDerWaalsContact CB-O 3.24Å; Y109-P146 WeakPolarHBondContact CB-O 3.05Å; Y109-P146 WeakPolarHBondContact O-CB 3.34Å; Y109-H147 AromaticContact CD2-CD2 3.39Å; Y109-H147 WeakPolarHBondContact CD2-CD2 3.22Å; Y109-H147 AromaticContact CE2-CD2 3.36Å; Y109-H147 WeakPolarHBondContact CE2-CD2 3.25Å; Y109-H147 AromaticContact CE2-NE2 3.56Å; Y109-L148 HydrophobicContact CE1-CB 3.76Å; Y109-N181 WeakPolarHBondContact CE1-OD1 3.19Å; Y109-N181 PolarHBondContact OH-OD1 2.75Å
110T91.3Very high88.8Confident1 Ų120 Ų201%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-147.4133.7176.3-49.90000109.5M84 L99 R102 C116 V117M84-T110 HydrophobicContact CE-CG2 4.46Å; M84-T110 HydrophobicContact CG-CG2 3.91Å; M84-T110 HydrophobicContact SD-CG2 4.3Å; L99-T110 HydrophobicContact CD2-CG2 4.33Å; R102-T110 WeakPolarHBondContact CD-OG1 3.38Å; R102-T110 PolarHBondContact NE-OG1 2.74Å; T110-C116 WeakPolarHBondContact O-CA 3.3Å; T110-C116 PolarHBondContact O-SG 3.34Å; T110-C116 VanDerWaalsContact O-SG 3.36Å; T110-V117 PolarHBondContact N-O 2.75Å; T110-V117 PolarHBondContact O-N 2.97Å
111Y88.8Confident88.7Confident9 Ų919.6 Ų19.64%0.03510%0.099CC..EExtended strand (participates in β ladder)trans-77.3157.6176.3-61.3-47.6000111.8E82 D83 M84 C116 R141 M144 P145 P146 A150E82-Y111 PolarHBondContact O-N 2.74Å; D83-Y111 VanDerWaalsContact CG-CB 3.43Å; D83-Y111 WeakPolarHBondContact OD2-CB 3.46Å; M84-Y111 PolarHBondContact N-O 2.69Å; Y111-C116 HydrophobicContact CD1-CB 4.46Å; Y111-R141 HydrophobicContact CD1-CG 4.32Å; Y111-R141 HydrophobicContact CD2-CG 4.4Å; Y111-R141 HydrophobicContact CE1-CG 3.62Å; Y111-R141 HydrophobicContact CE2-CG 3.72Å; Y111-R141 VanDerWaalsContact CE2-O 3.31Å; Y111-R141 WeakPolarHBondContact CE2-O 3.28Å; Y111-R141 WeakPolarHBondContact OH-CG 3.12Å; Y111-R141 PolarHBondContact OH-O 3.45Å; Y111-M144 PolarHBondContact OH-O 2.68Å; Y111-P145 PolarHBondContact OH-O 2.76Å; Y111-P146 HydrophobicContact CD1-CB 4.24Å; Y111-P146 HydrophobicContact CD2-CB 4.14Å; Y111-P146 HydrophobicContact CD2-CG 3.72Å; Y111-P146 HydrophobicContact CE1-CB 4.22Å; Y111-P146 HydrophobicContact CE2-CB 4.11Å; Y111-P146 HydrophobicContact CE2-CG 3.85Å; Y111-P146 HydrophobicContact CG-CB 4.19Å; Y111-P146 HydrophobicContact CG-CG 4.13Å; Y111-P146 VanDerWaalsContact CZ-CA 3.5Å; Y111-A150 WeakPolarHBondContact OH-CB 3.26Å
112S84.5Confident88.5Confident0 Ų020.4 Ų20.40%010%0.1CC..EExtended strand (participates in β ladder)trans-148.664.8-176.6-63.30000109.9D83 M84 L114 F115D83-S112 PolarHBondContact OD1-N 3.44Å; M84-S112 WeakPolarHBondContact CE-OG 3.08Å; S112-L114 PolarHBondContact O-N 2.77Å; S112-F115 VanDerWaalsContact CB-CE2 3.45Å; S112-F115 PolarHBondContact N-O 2.78Å; S112-F115 WeakPolarHBondContact O-CD1 3.33Å; S112-F115 VanDerWaalsContact O-CE1 3.31Å; S112-F115 WeakPolarHBondContact O-CE1 3.41Å; S112-F115 PolarHBondContact O-N 2.83Å
113G75.9Confident88.2Confident9 Ų926.1 Ų26.19%0.09313%0.125CC..THydrogen-bonded Turntrans75.1-84.5179.700000113.4D83 R141D83-G113 PolarHBondContact OD1-N 3.39Å; G113-R141 VanDerWaalsContact O-CZ 3.29Å; G113-R141 PolarHBondContact O-NH1 3.42Å; G113-R141 PolarHBondContact O-NH2 3.49Å
114L75.4Confident87.8Confident78 Ų7833 Ų3341%0.40816%0.162SC..THydrogen-bonded Turntrans-108-19.3176.5-73.4172.6000113.9S112 M501 C718 P723S112-L114 PolarHBondContact O-N 2.77Å; L114-M501 HydrophobicContact CB-CE 4.17Å; L114-M501 HydrophobicContact CB-SD 4.38Å; L114-M501 HydrophobicContact CD1-CE 4.18Å; L114-M501 HydrophobicContact CD1-SD 4.45Å; L114-C718 PolarHBondContact N-SG 3.36Å; L114-P723 HydrophobicContact CD1-CB 4.14Å; L114-P723 HydrophobicContact CD2-CB 3.96Å; L114-P723 HydrophobicContact CG-CB 4.02Å
115F83.8Confident87.6Confident4 Ų428 Ų282%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-118.9172.9-176.361.6-87.2000112.1S112 V117 F497 M501 F682 R684 V711 I715S112-F115 VanDerWaalsContact CB-CE2 3.45Å; S112-F115 PolarHBondContact N-O 2.78Å; S112-F115 WeakPolarHBondContact O-CD1 3.33Å; S112-F115 VanDerWaalsContact O-CE1 3.31Å; S112-F115 WeakPolarHBondContact O-CE1 3.41Å; S112-F115 PolarHBondContact O-N 2.83Å; F115-V117 HydrophobicContact CD2-CG2 4.38Å; F115-V117 HydrophobicContact CE2-CG2 4.02Å; F115-F497 HydrophobicContact CD1-CE2 4.19Å; F115-F497 HydrophobicContact CD1-CZ 4.3Å; F115-F497 HydrophobicContact CE1-CZ 4.17Å; F115-F497 HydrophobicContact CG-CE2 4.42Å; F115-F497 HydrophobicContact CZ-CZ 4.47Å; F115-M501 HydrophobicContact CD1-CE 4.02Å; F115-M501 HydrophobicContact CD1-SD 4.46Å; F115-M501 HydrophobicContact CE1-CE 4.22Å; F115-F682 HydrophobicContact CB-CB 3.84Å; F115-F682 WeakPolarHBondContact CB-O 3.22Å; F115-R684 HydrophobicContact CD2-CG 3.97Å; F115-R684 HydrophobicContact CE2-CG 4.3Å; F115-V711 HydrophobicContact CE2-CB 4.49Å; F115-V711 HydrophobicContact CE2-CG1 4.06Å; F115-V711 HydrophobicContact CE2-CG2 4.2Å; F115-V711 HydrophobicContact CZ-CB 4.44Å; F115-V711 HydrophobicContact CZ-CG1 4.11Å; F115-I715 HydrophobicContact CZ-CG1 4.44Å
116C88.9Confident87.5Confident1 Ų129 Ų291%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-119.6134.8178.5-174.30000111.8T110 Y111 I151 F682 R684T110-C116 WeakPolarHBondContact O-CA 3.3Å; T110-C116 PolarHBondContact O-SG 3.34Å; T110-C116 VanDerWaalsContact O-SG 3.36Å; Y111-C116 HydrophobicContact CD1-CB 4.46Å; C116-I151 HydrophobicContact CB-CD1 3.36Å; C116-I151 HydrophobicContact CB-CG1 4.45Å; C116-F682 PolarHBondContact N-O 3.47Å; C116-R684 PolarHBondContact O-N 2.85Å
117V91.6Very high87.5Confident0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-96.6133.6172.2176.70000109.2M84 L99 T110 F115 R684 I686 V711M84-V117 HydrophobicContact CE-CG2 4.27Å; L99-V117 HydrophobicContact CD1-CG1 4.31Å; L99-V117 HydrophobicContact CD2-CB 4.41Å; L99-V117 HydrophobicContact CD2-CG1 3.94Å; T110-V117 PolarHBondContact N-O 2.75Å; T110-V117 PolarHBondContact O-N 2.97Å; F115-V117 HydrophobicContact CD2-CG2 4.38Å; F115-V117 HydrophobicContact CE2-CG2 4.02Å; V117-R684 WeakPolarHBondContact CA-O 3.16Å; V117-R684 HydrophobicContact CG2-CB 4.35Å; V117-I686 HydrophobicContact CG1-CG1 3.84Å; V117-V711 HydrophobicContact CG2-CG1 4.18Å
118V93Very high87.3Confident3 Ų329.1 Ų29.12%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-128120.6-176.4-164.50000109.8I108 Y109 I683 R684 C685 I686I108-V118 WeakPolarHBondContact O-CA 3.3Å; Y109-V118 HydrophobicContact CD1-CB 4.21Å; Y109-V118 HydrophobicContact CD1-CG1 3.72Å; Y109-V118 HydrophobicContact CD1-CG2 3.62Å; Y109-V118 HydrophobicContact CE1-CB 4.2Å; Y109-V118 HydrophobicContact CE1-CG1 3.44Å; Y109-V118 VanDerWaalsContact CE1-CG1 3.44Å; Y109-V118 HydrophobicContact CE1-CG2 3.69Å; V118-I683 HydrophobicContact CG2-CG2 3.59Å; V118-R684 PolarHBondContact N-O 2.83Å; V118-C685 CarbonylContact O-C 3.54Å; V118-C685 WeakPolarHBondContact O-CA 3.36Å; V118-I686 PolarHBondContact O-N 3.03Å
119I92.9Very high87Confident4 Ų431.5 Ų31.52%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-101.4123.7176.5-52.8-179.7000109.2L99 Y103 I108 P121 I686 P688 I697L99-I119 HydrophobicContact CB-CD1 3.9Å; L99-I119 HydrophobicContact CD2-CD1 4.22Å; Y103-I119 HydrophobicContact CD2-CB 3.93Å; Y103-I119 HydrophobicContact CD2-CG2 3.5Å; Y103-I119 HydrophobicContact CE2-CB 4.45Å; Y103-I119 HydrophobicContact CE2-CG2 3.69Å; Y103-I119 HydrophobicContact CG-CG2 4.18Å; I108-I119 WeakPolarHBondContact CB-O 2.89Å; I108-I119 WeakPolarHBondContact CG2-O 3.03Å; I108-I119 PolarHBondContact O-N 3.34Å; I119-P121 WeakPolarHBondContact O-CD 3.37Å; I119-I686 HydrophobicContact CG1-CB 4.27Å; I119-P688 HydrophobicContact CG2-CB 3.69Å; I119-P688 HydrophobicContact CG2-CG 4.18Å; I119-I697 HydrophobicContact CD1-CD1 4.47Å
120N90.7Very high86.4Confident26 Ų2634.3 Ų34.314%0.13918%0.175CC..  trans-61.8118.7-176.5-175.2-7.1000111.4Y122 G175 I686 P688N120-Y122 WeakPolarHBondContact ND2-CE1 3.22Å; N120-Y122 PolarHBondContact O-N 2.7Å; N120-Y122 PolarHBondContact OD1-N 2.72Å; N120-G175 PolarHBondContact ND2-O 2.69Å; N120-I686 PolarHBondContact N-O 3.2Å; N120-I686 VanDerWaalsContact N-O 3.15Å; N120-P688 WeakPolarHBondContact O-CG 2.96Å
121P89.4Confident86.2Confident12 Ų1238.5 Ų38.58%0.07820%0.197CC..  trans-71.2-14.5179.526.9-33.8000114.6I108 I119 K123 L125 S694I108-P121 HydrophobicContact CD1-CG 4.11Å; I108-P121 HydrophobicContact CG2-CB 3.83Å; I108-P121 HydrophobicContact CG2-CG 4.07Å; I119-P121 WeakPolarHBondContact O-CD 3.37Å; P121-K123 HydrophobicContact CB-CB 4.35Å; P121-K123 VanDerWaalsContact CG-O 3.28Å; P121-K123 WeakPolarHBondContact CG-O 2.89Å; P121-K123 PolarHBondContact O-N 2.71Å; P121-K123 VanDerWaalsContact O-N 3.12Å; P121-L125 HydrophobicContact CB-CD1 4.26Å; P121-L125 HydrophobicContact CB-CG 4.41Å; P121-L125 HydrophobicContact CG-CD1 4.37Å; P121-L125 HydrophobicContact CG-CG 4.46Å; P121-S694 WeakPolarHBondContact O-CA 3.11Å; P121-S694 WeakPolarHBondContact O-CB 2.99Å; P121-S694 PolarHBondContact O-OG 3.12Å
122Y85.2Confident86Confident64 Ų6438 Ų3825%0.25120%0.196SC..SBendtrans48.131.1-163.5-65-63.1000113.2N120 P688 K692N120-Y122 WeakPolarHBondContact ND2-CE1 3.22Å; N120-Y122 PolarHBondContact O-N 2.7Å; N120-Y122 PolarHBondContact OD1-N 2.72Å; Y122-P688 HydrophobicContact CD2-CG 4.01Å; Y122-P688 HydrophobicContact CE2-CG 3.67Å; Y122-K692 HydrophobicContact CE1-CB 4.4Å
123K84.6Confident86.2Confident122 Ų12238.2 Ų38.253%0.5320%0.196SC..SBendtrans-157.9137.2-174.1-177.2174.5-178.31750111.2P121 L125P121-K123 HydrophobicContact CB-CB 4.35Å; P121-K123 VanDerWaalsContact CG-O 3.28Å; P121-K123 WeakPolarHBondContact CG-O 2.89Å; P121-K123 PolarHBondContact O-N 2.71Å; P121-K123 VanDerWaalsContact O-N 3.12Å; K123-L125 PolarHBondContact O-N 3.45Å; K123-L125 VanDerWaalsContact O-N 3.14Å
124N83.3Confident86.6Confident147 Ų14745.2 Ų45.279%0.78622%0.22SC*.  trans-69.1108.6173.4-70.5-22.7000110.4
125L86.8Confident87.1Confident11 Ų1142.6 Ų42.66%0.05821%0.206CC..  trans-90.4141.6172.5-61.2-179.4000110M106 I108 P121 K123 I127M106-L125 HydrophobicContact CB-CD2 4.44Å; M106-L125 HydrophobicContact SD-CD2 4.23Å; I108-L125 HydrophobicContact CD1-CD1 4.19Å; I108-L125 HydrophobicContact CG1-CD1 4.27Å; I108-L125 HydrophobicContact CG2-CD1 3.83Å; P121-L125 HydrophobicContact CB-CD1 4.26Å; P121-L125 HydrophobicContact CB-CG 4.41Å; P121-L125 HydrophobicContact CG-CD1 4.37Å; P121-L125 HydrophobicContact CG-CG 4.46Å; K123-L125 PolarHBondContact O-N 3.45Å; K123-L125 VanDerWaalsContact O-N 3.14Å; L125-I127 HydrophobicContact CB-CD1 4.1Å; L125-I127 HydrophobicContact CB-CG1 4.05Å; L125-I127 HydrophobicContact CB-CG2 4.45Å; L125-I127 HydrophobicContact CD1-CD1 4.29Å; L125-I127 PolarHBondContact O-N 2.67Å
126P85.8Confident87.3Confident62 Ų6242.4 Ų42.440%0.40321%0.205SC..THydrogen-bonded Turntrans-80.448.1-176.835.6-37.6000112.3S6 Y9S6-P126 VanDerWaalsContact CB-O 3.24Å; S6-P126 WeakPolarHBondContact CB-O 3.3Å; S6-P126 PolarHBondContact OG-O 2.8Å; Y9-P126 HydrophobicContact CD2-CG 3.66Å; Y9-P126 HydrophobicContact CE2-CG 3.54Å
127I88.9Confident87.1Confident0 Ų046.5 Ų46.50%023%0.225CC..THydrogen-bonded Turntrans-106.8-3.8-175.859.7-178.4000113.7L10 I108 Y109 L125 V132L10-I127 HydrophobicContact CD2-CB 4.04Å; L10-I127 HydrophobicContact CD2-CG2 3.9Å; L10-I127 HydrophobicContact CG-CG2 4.16Å; I108-I127 HydrophobicContact CD1-CD1 4.13Å; I108-I127 HydrophobicContact CG1-CD1 4.33Å; Y109-I127 HydrophobicContact CD2-CD1 4.37Å; Y109-I127 HydrophobicContact CE2-CD1 3.92Å; L125-I127 HydrophobicContact CB-CD1 4.1Å; L125-I127 HydrophobicContact CB-CG1 4.05Å; L125-I127 HydrophobicContact CB-CG2 4.45Å; L125-I127 HydrophobicContact CD1-CD1 4.29Å; L125-I127 PolarHBondContact O-N 2.67Å; I127-V132 WeakPolarHBondContact O-CB 3.32Å; I127-V132 VanDerWaalsContact O-CG1 3.25Å; I127-V132 WeakPolarHBondContact O-CG1 3.04Å
128Y87.6Confident86.6Confident50 Ų5048.9 Ų48.920%0.19625%0.25CC..  trans-10731.9-175.5-47.1-62.3000113.6Y109 H147 F149 R184Y109-Y128 HydrophobicContact CE2-CE1 4.31Å; Y109-Y128 PolarHBondContact OH-OH 2.74Å; Y128-H147 AromaticContact CD1-NE2 3.95Å; Y128-H147 AromaticContact CE1-NE2 3.72Å; Y128-F149 HydrophobicContact CD1-CZ 4.15Å; Y128-R184 HydrophobicContact CD1-CB 4.14Å; Y128-R184 HydrophobicContact CD1-CG 3.69Å; Y128-R184 HydrophobicContact CD2-CG 4.38Å; Y128-R184 HydrophobicContact CE1-CB 4.34Å; Y128-R184 HydrophobicContact CE1-CG 3.78Å; Y128-R184 HydrophobicContact CE2-CG 4.45Å; Y128-R184 HydrophobicContact CG-CG 4.01Å
129T84.8Confident86Confident54 Ų5453.8 Ų53.833%0.33127%0.268SS..SBendtrans-85.8157.9-178.464.10000111.7N131 V132 I133T129-N131 PolarHBondContact O-N 2.78Å; T129-V132 PolarHBondContact O-N 3.49Å; T129-V132 WeakPolarHBondContact OG1-CG2 2.9Å; T129-V132 PolarHBondContact OG1-N 2.62Å; T129-I133 PolarHBondContact O-N 2.76Å
130E82.2Confident85Confident63 Ų6356.8 Ų56.829%0.29428%0.279SS..Hα-helixtrans-59.7-30.6175.2-163.1-177.6130.900111.6I133 R134 T191 R199E130-I133 PolarHBondContact O-N 3.32Å; E130-R134 VanDerWaalsContact O-CG 3.28Å; E130-R134 WeakPolarHBondContact O-CG 3.46Å; E130-R134 PolarHBondContact O-N 2.67Å; E130-R134 IonicContact OE1-CZ 3.85Å; E130-R134 IonicContact OE1-NE 3.89Å; E130-R134 PolarHBondContact OE1-NE 2.69Å; E130-R134 IonicContact OE1-NH2 2.63Å; E130-R134 PolarHBondContact OE1-NH2 2.8Å; E130-T191 HydrophobicContact CG-CG2 4.2Å; E130-R199 VanDerWaalsContact CD-NH1 3.35Å; E130-R199 IonicContact OE1-CZ 2.68Å; E130-R199 IonicContact OE1-NH1 2.61Å; E130-R199 PolarHBondContact OE1-NH1 2.72Å; E130-R199 IonicContact OE1-NH2 3.72Å; E130-R199 IonicContact OE2-CZ 2.7Å; E130-R199 IonicContact OE2-NH1 3.79Å; E130-R199 PolarHBondContact OE2-NH1 2.77Å; E130-R199 IonicContact OE2-NH2 3.51Å; E130-R199 PolarHBondContact OE2-NH2 2.57Å
131N85.4Confident84.2Confident89 Ų8957.6 Ų57.648%0.47628%0.28SS..Hα-helixtrans-55.6-50.8169.2-80.79.9000111.6D4 T129 R134 M135D4-N131 PolarHBondContact OD2-ND2 3.17Å; T129-N131 PolarHBondContact O-N 2.78Å; N131-R134 PolarHBondContact O-N 2.96Å; N131-M135 HydrophobicContact CB-CE 4.48Å; N131-M135 WeakPolarHBondContact O-CG 3.14Å; N131-M135 PolarHBondContact O-N 2.73Å; N131-M135 VanDerWaalsContact O-N 3.12Å
132V86.6Confident83.3Confident0 Ų060.6 Ų60.60%030%0.301CS..Hα-helixtrans-68.1-39.6-178.4179.10000110.8L10 I127 T129 R134 M135 Y136 F149L10-V132 HydrophobicContact CD1-CG1 4Å; L10-V132 HydrophobicContact CD1-CG2 4.42Å; I127-V132 WeakPolarHBondContact O-CB 3.32Å; I127-V132 VanDerWaalsContact O-CG1 3.25Å; I127-V132 WeakPolarHBondContact O-CG1 3.04Å; T129-V132 PolarHBondContact O-N 3.49Å; T129-V132 WeakPolarHBondContact OG1-CG2 2.9Å; T129-V132 PolarHBondContact OG1-N 2.62Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 2.6Å; V132-M135 WeakPolarHBondContact O-CA 3.37Å; V132-M135 WeakPolarHBondContact O-CB 3.38Å; V132-M135 PolarHBondContact O-N 2.67Å; V132-Y136 HydrophobicContact CG1-CD2 3.78Å; V132-Y136 HydrophobicContact CG1-CE2 3.56Å; V132-Y136 WeakPolarHBondContact O-CD2 3.38Å; V132-Y136 PolarHBondContact O-N 2.71Å; V132-F149 HydrophobicContact CB-CE2 4.5Å; V132-F149 HydrophobicContact CG1-CD2 4.13Å; V132-F149 HydrophobicContact CG1-CE2 4.13Å
133I86.8Confident82.8Confident3 Ų360.9 Ų60.92%0.01531%0.305CS..Hα-helixtrans-54.6-47.5172.5-65.1172.8000110.6T129 E130 M135 Y136 M137 F149 Y188 T191T129-I133 PolarHBondContact O-N 2.76Å; E130-I133 PolarHBondContact O-N 3.32Å; I133-M135 PolarHBondContact O-N 3.03Å; I133-Y136 PolarHBondContact O-N 2.75Å; I133-Y136 VanDerWaalsContact O-N 3.11Å; I133-M137 PolarHBondContact O-N 3.4Å; I133-F149 HydrophobicContact CB-CE2 4.41Å; I133-F149 HydrophobicContact CD1-CE2 4.44Å; I133-F149 HydrophobicContact CD1-CZ 4.21Å; I133-F149 HydrophobicContact CG1-CD2 3.99Å; I133-F149 HydrophobicContact CG1-CE1 4.36Å; I133-F149 HydrophobicContact CG1-CE2 3.4Å; I133-F149 VanDerWaalsContact CG1-CE2 3.4Å; I133-F149 HydrophobicContact CG1-CZ 3.62Å; I133-Y188 HydrophobicContact CB-CD2 4.5Å; I133-Y188 HydrophobicContact CG1-CD2 4.36Å; I133-Y188 HydrophobicContact CG2-CD2 3.8Å; I133-Y188 HydrophobicContact CG2-CE2 3.95Å; I133-T191 HydrophobicContact CD1-CG2 4.43Å; I133-T191 HydrophobicContact CG2-CG2 3.72Å
134R84.9Confident82.7Confident157 Ų15755.4 Ų55.459%0.59228%0.281SS*.Hα-helixtrans-65.7-16175.6-66.6173.5-173.3-162.46.7114.4E130 N131 V132E130-R134 VanDerWaalsContact O-CG 3.28Å; E130-R134 WeakPolarHBondContact O-CG 3.46Å; E130-R134 PolarHBondContact O-N 2.67Å; E130-R134 IonicContact OE1-CZ 3.85Å; E130-R134 IonicContact OE1-NE 3.89Å; E130-R134 PolarHBondContact OE1-NE 2.69Å; E130-R134 IonicContact OE1-NH2 2.63Å; E130-R134 PolarHBondContact OE1-NH2 2.8Å; N131-R134 PolarHBondContact O-N 2.96Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 2.6Å
135M86.1Confident82.8Confident22 Ų2248.4 Ų48.411%0.10824%0.244CC..Hα-helixtrans-80.9-32.7170.8-63-176.3-154.200112.4M1 D4 W7 N131 V132 I133 R139 M144M1-M135 HydrophobicContact CB-SD 3.9Å; M1-M135 HydrophobicContact CG-CG 4.23Å; M1-M135 HydrophobicContact CG-SD 3.98Å; M1-M135 HydrophobicContact SD-CB 4.39Å; M1-M135 HydrophobicContact SD-CG 4.42Å; M1-M135 HydrophobicContact SD-SD 4.44Å; D4-M135 HydrophobicContact CB-CE 3.79Å; W7-M135 HydrophobicContact CE3-SD 4.36Å; W7-M135 HydrophobicContact CZ3-SD 4.4Å; N131-M135 HydrophobicContact CB-CE 4.48Å; N131-M135 WeakPolarHBondContact O-CG 3.14Å; N131-M135 PolarHBondContact O-N 2.73Å; N131-M135 VanDerWaalsContact O-N 3.12Å; V132-M135 WeakPolarHBondContact O-CA 3.37Å; V132-M135 WeakPolarHBondContact O-CB 3.38Å; V132-M135 PolarHBondContact O-N 2.67Å; I133-M135 PolarHBondContact O-N 3.03Å; M135-R139 VanDerWaalsContact O-CG 3.26Å; M135-R139 WeakPolarHBondContact O-CG 3.41Å; M135-M144 HydrophobicContact CB-CE 3.71Å; M135-M144 WeakPolarHBondContact O-CE 3.33Å
136Y88.5Confident83Confident0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-89.1-23.1179.3-75.1-87000114L10 V132 I133 G138 R139 M144 P145 H147 F149 A150L10-Y136 HydrophobicContact CD1-CE2 4.32Å; V132-Y136 HydrophobicContact CG1-CD2 3.78Å; V132-Y136 HydrophobicContact CG1-CE2 3.56Å; V132-Y136 WeakPolarHBondContact O-CD2 3.38Å; V132-Y136 PolarHBondContact O-N 2.71Å; I133-Y136 PolarHBondContact O-N 2.75Å; I133-Y136 VanDerWaalsContact O-N 3.11Å; Y136-G138 PolarHBondContact O-N 3.1Å; Y136-R139 WeakPolarHBondContact O-CB 3.48Å; Y136-R139 PolarHBondContact O-N 2.96Å; Y136-M144 HydrophobicContact CD1-CB 3.76Å; Y136-M144 HydrophobicContact CD1-CE 4.01Å; Y136-M144 HydrophobicContact CD1-CG 4.12Å; Y136-M144 HydrophobicContact CD2-CE 3.97Å; Y136-M144 HydrophobicContact CE1-CB 3.49Å; Y136-M144 VanDerWaalsContact CE1-CB 3.49Å; Y136-M144 HydrophobicContact CE1-CE 3.85Å; Y136-M144 HydrophobicContact CE1-CG 4.24Å; Y136-M144 HydrophobicContact CE2-CE 3.79Å; Y136-M144 HydrophobicContact CG-CE 4.06Å; Y136-P145 WeakPolarHBondContact CE1-O 3.41Å; Y136-P145 PolarHBondContact OH-O 3.4Å; Y136-P145 VanDerWaalsContact OH-O 3.09Å; Y136-H147 HydrophobicContact CE1-CB 3.64Å; Y136-H147 HydrophobicContact CE2-CB 3.97Å; Y136-H147 AromaticContact CE2-ND1 3.97Å; Y136-H147 AromaticContact CZ-CG 3.97Å; Y136-H147 VanDerWaalsContact OH-CB 3.27Å; Y136-H147 WeakPolarHBondContact OH-CB 3.22Å; Y136-F149 HydrophobicContact CD1-CB 4.25Å; Y136-F149 HydrophobicContact CD2-CB 3.93Å; Y136-F149 AromaticContact CD2-CD2 3.94Å; Y136-F149 HydrophobicContact CD2-CD2 3.94Å; Y136-F149 HydrophobicContact CD2-CG 4.46Å; Y136-F149 HydrophobicContact CG-CB 3.7Å; Y136-A150 HydrophobicContact CD1-CB 3.89Å; Y136-A150 HydrophobicContact CE1-CB 4.08Å
137M84.9Confident83.3Confident87 Ų8745 Ų4543%0.42922%0.223SC..THydrogen-bonded Turntrans-58.8117.3-177.7-173.7-177.27400112.6I133 R139 Y188 V192I133-M137 PolarHBondContact O-N 3.4Å; M137-R139 VanDerWaalsContact C-N 3.35Å; M137-Y188 WeakPolarHBondContact CA-OH 3.27Å; M137-V192 HydrophobicContact CG-CG2 4.02Å; M137-V192 HydrophobicContact SD-CG2 4.28Å
138G79.8Confident83.4Confident50 Ų5045 Ų4552%0.51522%0.223SC..THydrogen-bonded Turntrans7124.6-177.900000114.3Y136 D153Y136-G138 PolarHBondContact O-N 3.1Å; G138-D153 PolarHBondContact N-OD1 2.67Å; G138-D153 PolarHBondContact N-OD2 2.7Å
139R80.5Confident83.7Confident106 Ų10642.7 Ų42.740%0.421%0.214SC..  trans-114.8140-178.5-65-64.4177.8172.8-5.8112.5M135 Y136 M137 E143 M144 D153 R157M135-R139 VanDerWaalsContact O-CG 3.26Å; M135-R139 WeakPolarHBondContact O-CG 3.41Å; Y136-R139 WeakPolarHBondContact O-CB 3.48Å; Y136-R139 PolarHBondContact O-N 2.96Å; M137-R139 VanDerWaalsContact C-N 3.35Å; R139-E143 WeakPolarHBondContact CD-OE2 2.99Å; R139-E143 IonicContact CZ-OE2 3.48Å; R139-E143 IonicContact NE-OE2 3.95Å; R139-E143 IonicContact NH1-OE2 3.71Å; R139-E143 PolarHBondContact NH1-OE2 3.24Å; R139-M144 HydrophobicContact CB-CG 3.58Å; R139-M144 HydrophobicContact CG-CG 4.07Å; R139-D153 PolarHBondContact N-OD2 2.83Å; R139-D153 VanDerWaalsContact O-OD2 3.06Å; R139-R157 PolarHBondContact O-NH2 2.57Å
140R72.1Confident83.9Confident68 Ų6840.2 Ų40.226%0.25720%0.198SC..  trans-74.1154.4-178.6-59162.2-168.9-121.514.9111.2S142 E143 M144 E815 N819R140-S142 PolarHBondContact O-N 2.62Å; R140-S142 VanDerWaalsContact O-N 3.13Å; R140-E143 HydrophobicContact CB-CG 4.16Å; R140-E143 VanDerWaalsContact CB-OE1 3.25Å; R140-E143 WeakPolarHBondContact CB-OE1 2.8Å; R140-E143 WeakPolarHBondContact CD-OE1 3.36Å; R140-E143 WeakPolarHBondContact CG-OE1 3.11Å; R140-E143 PolarHBondContact N-OE1 3.22Å; R140-E143 IonicContact NE-OE1 2.72Å; R140-E143 PolarHBondContact O-N 2.78Å; R140-M144 PolarHBondContact O-N 2.69Å; R140-E815 IonicContact CZ-OE2 3.65Å; R140-E815 IonicContact NH1-OE1 3.97Å; R140-E815 IonicContact NH1-OE2 3.97Å; R140-E815 PolarHBondContact NH1-OE2 2.89Å; R140-E815 IonicContact NH2-OE2 2.71Å; R140-E815 PolarHBondContact NH2-OE2 2.72Å; R140-N819 PolarHBondContact NH2-OD1 2.7Å
141R74.4Confident84.3Confident43 Ų4337.7 Ų37.716%0.16219%0.187CC..THydrogen-bonded Turntrans-60.1-22.5178.9-161.2-176.7128.7-154.5-10.5113.7D83 Y111 G113 E154D83-R141 IonicContact OD2-CZ 3.9Å; D83-R141 IonicContact OD2-NH2 3.16Å; D83-R141 PolarHBondContact OD2-NH2 2.77Å; Y111-R141 HydrophobicContact CD1-CG 4.32Å; Y111-R141 HydrophobicContact CD2-CG 4.4Å; Y111-R141 HydrophobicContact CE1-CG 3.62Å; Y111-R141 HydrophobicContact CE2-CG 3.72Å; Y111-R141 VanDerWaalsContact CE2-O 3.31Å; Y111-R141 WeakPolarHBondContact CE2-O 3.28Å; Y111-R141 WeakPolarHBondContact OH-CG 3.12Å; Y111-R141 PolarHBondContact OH-O 3.45Å; G113-R141 VanDerWaalsContact O-CZ 3.29Å; G113-R141 PolarHBondContact O-NH1 3.42Å; G113-R141 PolarHBondContact O-NH2 3.49Å; R141-E154 WeakPolarHBondContact CD-OE2 2.83Å
142S69.8Low84.6Confident75 Ų7533.4 Ų33.452%0.52416%0.164SC..THydrogen-bonded Turntrans-85.5-29.9174510000114.4R140R140-S142 PolarHBondContact O-N 2.62Å; R140-S142 VanDerWaalsContact O-N 3.13Å
143E74.9Confident84.8Confident70 Ų7033.6 Ų33.633%0.32717%0.165SC..THydrogen-bonded Turntrans-72.1-33179.1-70.6173.2-105.300111.9R139 R140R139-E143 WeakPolarHBondContact CD-OE2 2.99Å; R139-E143 IonicContact CZ-OE2 3.48Å; R139-E143 IonicContact NE-OE2 3.95Å; R139-E143 IonicContact NH1-OE2 3.71Å; R139-E143 PolarHBondContact NH1-OE2 3.24Å; R140-E143 HydrophobicContact CB-CG 4.16Å; R140-E143 VanDerWaalsContact CB-OE1 3.25Å; R140-E143 WeakPolarHBondContact CB-OE1 2.8Å; R140-E143 WeakPolarHBondContact CD-OE1 3.36Å; R140-E143 WeakPolarHBondContact CG-OE1 3.11Å; R140-E143 PolarHBondContact N-OE1 3.22Å; R140-E143 IonicContact NE-OE1 2.72Å; R140-E143 PolarHBondContact O-N 2.78Å
144M82.6Confident84.8Confident6 Ų635.7 Ų35.73%0.0317%0.174CC..SBendtrans-117.4140.1-169.7-69.5-64.8-66.300112M1 W7 Y111 M135 Y136 R139 R140M1-M144 HydrophobicContact CE-SD 4.38Å; M1-M144 HydrophobicContact SD-CE 4.36Å; M1-M144 HydrophobicContact SD-SD 3.92Å; W7-M144 HydrophobicContact CZ3-CE 4.48Å; Y111-M144 PolarHBondContact OH-O 2.68Å; M135-M144 HydrophobicContact CB-CE 3.71Å; M135-M144 WeakPolarHBondContact O-CE 3.33Å; Y136-M144 HydrophobicContact CD1-CB 3.76Å; Y136-M144 HydrophobicContact CD1-CE 4.01Å; Y136-M144 HydrophobicContact CD1-CG 4.12Å; Y136-M144 HydrophobicContact CD2-CE 3.97Å; Y136-M144 HydrophobicContact CE1-CB 3.49Å; Y136-M144 VanDerWaalsContact CE1-CB 3.49Å; Y136-M144 HydrophobicContact CE1-CE 3.85Å; Y136-M144 HydrophobicContact CE1-CG 4.24Å; Y136-M144 HydrophobicContact CE2-CE 3.79Å; Y136-M144 HydrophobicContact CG-CE 4.06Å; R139-M144 HydrophobicContact CB-CG 3.58Å; R139-M144 HydrophobicContact CG-CG 4.07Å; R140-M144 PolarHBondContact O-N 2.69Å
145P86.6Confident85.1Confident0 Ų028.2 Ų28.20%015%0.146CC..  trans-63.1164.2-178.427-34.7000112.2L10 R11 Y111 Y136 H147L10-P145 HydrophobicContact CB-CG 4Å; L10-P145 WeakPolarHBondContact O-CB 3.41Å; R11-P145 HydrophobicContact CB-CB 4.19Å; R11-P145 HydrophobicContact CB-CG 4.26Å; Y111-P145 PolarHBondContact OH-O 2.76Å; Y136-P145 WeakPolarHBondContact CE1-O 3.41Å; Y136-P145 PolarHBondContact OH-O 3.4Å; Y136-P145 VanDerWaalsContact OH-O 3.09Å; P145-H147 PolarHBondContact O-N 3.33Å; P145-H147 VanDerWaalsContact O-N 3.13Å
146P90.3Very high85.3Confident3 Ų329 Ų292%0.01915%0.148CC..SBendtrans-55.8118.8-175-26.134.1000113.4E82 Y109 Y111E82-P146 HydrophobicContact CB-CG 3.73Å; E82-P146 HydrophobicContact CG-CG 4.18Å; E82-P146 WeakPolarHBondContact O-CG 3.36Å; Y109-P146 VanDerWaalsContact CB-O 3.24Å; Y109-P146 WeakPolarHBondContact CB-O 3.05Å; Y109-P146 WeakPolarHBondContact O-CB 3.34Å; Y111-P146 HydrophobicContact CD1-CB 4.24Å; Y111-P146 HydrophobicContact CD2-CB 4.14Å; Y111-P146 HydrophobicContact CD2-CG 3.72Å; Y111-P146 HydrophobicContact CE1-CB 4.22Å; Y111-P146 HydrophobicContact CE2-CB 4.11Å; Y111-P146 HydrophobicContact CE2-CG 3.85Å; Y111-P146 HydrophobicContact CG-CB 4.19Å; Y111-P146 HydrophobicContact CG-CG 4.13Å; Y111-P146 VanDerWaalsContact CZ-CA 3.5Å
147H91.6Very high85.2Confident0 Ų031.8 Ų31.80%016%0.159CC..  trans-158151.5174.5-162.7-111.2000111.6Y109 Y128 Y136 P145 F149 A150Y109-H147 AromaticContact CD2-CD2 3.39Å; Y109-H147 WeakPolarHBondContact CD2-CD2 3.22Å; Y109-H147 AromaticContact CE2-CD2 3.36Å; Y109-H147 WeakPolarHBondContact CE2-CD2 3.25Å; Y109-H147 AromaticContact CE2-NE2 3.56Å; Y128-H147 AromaticContact CD1-NE2 3.95Å; Y128-H147 AromaticContact CE1-NE2 3.72Å; Y136-H147 HydrophobicContact CE1-CB 3.64Å; Y136-H147 HydrophobicContact CE2-CB 3.97Å; Y136-H147 AromaticContact CE2-ND1 3.97Å; Y136-H147 AromaticContact CZ-CG 3.97Å; Y136-H147 VanDerWaalsContact OH-CB 3.27Å; Y136-H147 WeakPolarHBondContact OH-CB 3.22Å; P145-H147 PolarHBondContact O-N 3.33Å; P145-H147 VanDerWaalsContact O-N 3.13Å; H147-F149 AromaticContact CE1-CD1 3.93Å; H147-F149 AromaticContact CE1-CD2 3.35Å; H147-F149 WeakPolarHBondContact CE1-CD2 2.99Å; H147-F149 AromaticContact CE1-CE2 3.51Å; H147-F149 AromaticContact CE1-CG 3.56Å; H147-F149 AromaticContact CE1-CZ 3.88Å; H147-F149 WeakPolarHBondContact ND1-CB 3.37Å; H147-F149 AromaticContact ND1-CD1 3.95Å; H147-F149 AromaticContact ND1-CD2 3.31Å; H147-F149 VanDerWaalsContact ND1-CD2 3.31Å; H147-F149 WeakPolarHBondContact ND1-CD2 3.47Å; H147-F149 AromaticContact ND1-CE2 3.97Å; H147-F149 AromaticContact ND1-CG 3.28Å; H147-F149 VanDerWaalsContact ND1-CG 3.28Å; H147-F149 WeakPolarHBondContact ND1-CG 3.26Å; H147-F149 PolarHBondContact ND1-N 2.75Å; H147-F149 PolarHBondContact O-N 3.32Å; H147-F149 VanDerWaalsContact O-N 3.17Å; H147-A150 WeakPolarHBondContact O-CB 3.07Å; H147-A150 PolarHBondContact O-N 2.68Å
148L91.7Very high85.3Confident0 Ų029.1 Ų29.10%015%0.146CC..Hα-helixtrans-50.8-37174.1-174.478000113.8Y109 A150 I151 S152 N181 R184 V185 I683Y109-L148 HydrophobicContact CE1-CB 3.76Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 2.66Å; L148-I151 PolarHBondContact O-N 2.64Å; L148-S152 PolarHBondContact O-N 3.33Å; L148-S152 PolarHBondContact O-OG 2.8Å; L148-N181 HydrophobicContact CD1-CB 4.28Å; L148-N181 HydrophobicContact CD2-CB 4.41Å; L148-N181 VanDerWaalsContact CD2-O 3.31Å; L148-N181 WeakPolarHBondContact CD2-O 3.05Å; L148-R184 HydrophobicContact CD2-CB 3.46Å; L148-R184 VanDerWaalsContact CD2-CB 3.46Å; L148-R184 HydrophobicContact CD2-CG 4.5Å; L148-V185 HydrophobicContact CD1-CG2 3.75Å; L148-V185 HydrophobicContact CD2-CG2 3.8Å; L148-V185 HydrophobicContact CG-CG2 3.81Å; L148-I683 HydrophobicContact CD1-CD1 3.5Å; L148-I683 HydrophobicContact CD1-CG1 4.42Å
149F92.4Very high85.7Confident1 Ų126.8 Ų26.80%0.00412%0.122CC..Hα-helixtrans-66.8-27.6-179.8-62.7-18.9000113Y128 V132 I133 Y136 H147 S152 D153 R184 Y188Y128-F149 HydrophobicContact CD1-CZ 4.15Å; V132-F149 HydrophobicContact CB-CE2 4.5Å; V132-F149 HydrophobicContact CG1-CD2 4.13Å; V132-F149 HydrophobicContact CG1-CE2 4.13Å; I133-F149 HydrophobicContact CB-CE2 4.41Å; I133-F149 HydrophobicContact CD1-CE2 4.44Å; I133-F149 HydrophobicContact CD1-CZ 4.21Å; I133-F149 HydrophobicContact CG1-CD2 3.99Å; I133-F149 HydrophobicContact CG1-CE1 4.36Å; I133-F149 HydrophobicContact CG1-CE2 3.4Å; I133-F149 VanDerWaalsContact CG1-CE2 3.4Å; I133-F149 HydrophobicContact CG1-CZ 3.62Å; Y136-F149 HydrophobicContact CD1-CB 4.25Å; Y136-F149 HydrophobicContact CD2-CB 3.93Å; Y136-F149 AromaticContact CD2-CD2 3.94Å; Y136-F149 HydrophobicContact CD2-CD2 3.94Å; Y136-F149 HydrophobicContact CD2-CG 4.46Å; Y136-F149 HydrophobicContact CG-CB 3.7Å; H147-F149 AromaticContact CE1-CD1 3.93Å; H147-F149 AromaticContact CE1-CD2 3.35Å; H147-F149 WeakPolarHBondContact CE1-CD2 2.99Å; H147-F149 AromaticContact CE1-CE2 3.51Å; H147-F149 AromaticContact CE1-CG 3.56Å; H147-F149 AromaticContact CE1-CZ 3.88Å; H147-F149 WeakPolarHBondContact ND1-CB 3.37Å; H147-F149 AromaticContact ND1-CD1 3.95Å; H147-F149 AromaticContact ND1-CD2 3.31Å; H147-F149 VanDerWaalsContact ND1-CD2 3.31Å; H147-F149 WeakPolarHBondContact ND1-CD2 3.47Å; H147-F149 AromaticContact ND1-CE2 3.97Å; H147-F149 AromaticContact ND1-CG 3.28Å; H147-F149 VanDerWaalsContact ND1-CG 3.28Å; H147-F149 WeakPolarHBondContact ND1-CG 3.26Å; H147-F149 PolarHBondContact ND1-N 2.75Å; H147-F149 PolarHBondContact O-N 3.32Å; H147-F149 VanDerWaalsContact O-N 3.17Å; F149-S152 PolarHBondContact O-N 2.68Å; F149-D153 WeakPolarHBondContact O-CB 3.02Å; F149-D153 PolarHBondContact O-N 3.26Å; F149-R184 HydrophobicContact CE1-CB 4.19Å; F149-R184 WeakPolarHBondContact CE1-O 3.27Å; F149-Y188 HydrophobicContact CB-CD2 3.67Å; F149-Y188 HydrophobicContact CB-CE2 3.85Å; F149-Y188 HydrophobicContact CB-CG 4.49Å; F149-Y188 AromaticContact CD1-CD2 3.65Å; F149-Y188 HydrophobicContact CD1-CD2 3.65Å; F149-Y188 HydrophobicContact CD1-CG 4.02Å; F149-Y188 HydrophobicContact CD2-CD2 4.24Å; F149-Y188 HydrophobicContact CE1-CD2 4.34Å; F149-Y188 AromaticContact CG-CD2 3.6Å; F149-Y188 HydrophobicContact CG-CD2 3.6Å; F149-Y188 HydrophobicContact CG-CE2 4.23Å; F149-Y188 HydrophobicContact CG-CG 4.39Å
150A90Very high85.9Confident1 Ų125 Ų251%0.00812%0.119CC..Hα-helixtrans-66.8-42.9175.200000111.3Y111 Y136 H147 L148 S152 D153 E154Y111-A150 WeakPolarHBondContact OH-CB 3.26Å; Y136-A150 HydrophobicContact CD1-CB 3.89Å; Y136-A150 HydrophobicContact CE1-CB 4.08Å; H147-A150 WeakPolarHBondContact O-CB 3.07Å; H147-A150 PolarHBondContact O-N 2.68Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 2.66Å; A150-S152 VanDerWaalsContact C-N 3.29Å; A150-S152 PolarHBondContact O-N 3.44Å; A150-D153 PolarHBondContact O-N 2.71Å; A150-E154 VanDerWaalsContact O-CB 3.23Å; A150-E154 WeakPolarHBondContact O-CB 3.34Å; A150-E154 PolarHBondContact O-N 3.07Å
151I90.3Very high86.3Confident10 Ų1027 Ų275%0.05113%0.132CC..Hα-helixtrans-66.2-35.7176.1-47.6166.3000110.4C116 L148 E154 A155 H681 I683C116-I151 HydrophobicContact CB-CD1 3.36Å; C116-I151 HydrophobicContact CB-CG1 4.45Å; L148-I151 PolarHBondContact O-N 2.64Å; I151-E154 PolarHBondContact O-N 2.58Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 2.8Å; I151-H681 HydrophobicContact CG2-CB 3.98Å; I151-I683 HydrophobicContact CD1-CD1 4.24Å; I151-I683 HydrophobicContact CD1-CG1 3.76Å
152S92Very high86.5Confident0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-69.3-40.4176.3-49.90000111.3L148 F149 A150 Y156 F189L148-S152 PolarHBondContact O-N 3.33Å; L148-S152 PolarHBondContact O-OG 2.8Å; F149-S152 PolarHBondContact O-N 2.68Å; A150-S152 VanDerWaalsContact C-N 3.29Å; A150-S152 PolarHBondContact O-N 3.44Å; S152-Y156 WeakPolarHBondContact O-CB 3.27Å; S152-Y156 PolarHBondContact O-N 2.75Å; S152-F189 VanDerWaalsContact O-CE1 3.3Å; S152-F189 WeakPolarHBondContact O-CE1 3.16Å
153D90.6Very high87.1Confident3 Ų332.4 Ų32.42%0.01615%0.151CC..Hα-helixtrans-66.1-38.1172.8-16669000112.4G138 R139 F149 A150 Y156 R157 Y188G138-D153 PolarHBondContact N-OD1 2.67Å; G138-D153 PolarHBondContact N-OD2 2.7Å; R139-D153 PolarHBondContact N-OD2 2.83Å; R139-D153 VanDerWaalsContact O-OD2 3.06Å; F149-D153 WeakPolarHBondContact O-CB 3.02Å; F149-D153 PolarHBondContact O-N 3.26Å; A150-D153 PolarHBondContact O-N 2.71Å; D153-Y156 PolarHBondContact O-N 3.35Å; D153-R157 WeakPolarHBondContact O-CB 3.04Å; D153-R157 WeakPolarHBondContact O-CG 3.29Å; D153-R157 PolarHBondContact O-N 2.62Å; D153-R157 IonicContact OD2-CZ 3.18Å; D153-R157 IonicContact OD2-NE 2.74Å; D153-R157 PolarHBondContact OD2-NE 2.9Å; D153-R157 IonicContact OD2-NH2 3.06Å; D153-R157 PolarHBondContact OD2-NH2 2.73Å; D153-Y188 HydrophobicContact CB-CE1 4.33Å; D153-Y188 VanDerWaalsContact CB-OH 3.27Å; D153-Y188 WeakPolarHBondContact CB-OH 3.13Å; D153-Y188 PolarHBondContact OD1-OH 3.39Å
154E87.7Confident87.6Confident47 Ų4734.9 Ų34.922%0.2216%0.162CC..Hα-helixtrans-64.6-51.9176.3-169.7161.8-157.300110.9R141 A150 I151 Y156 R157 N158R141-E154 WeakPolarHBondContact CD-OE2 2.83Å; A150-E154 VanDerWaalsContact O-CB 3.23Å; A150-E154 WeakPolarHBondContact O-CB 3.34Å; A150-E154 PolarHBondContact O-N 3.07Å; I151-E154 PolarHBondContact O-N 2.58Å; E154-Y156 VanDerWaalsContact C-N 3.32Å; E154-Y156 PolarHBondContact O-N 2.87Å; E154-R157 PolarHBondContact O-N 3.5Å; E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 PolarHBondContact O-N 2.99Å; E154-N158 PolarHBondContact O-OD1 2.87Å
155A90.3Very high87.9Confident0 Ų036.7 Ų36.70%017%0.172CC..Hα-helixtrans-58.2-40.5172.900000112.9I151 M159 I168 I465I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 2.8Å; A155-M159 WeakPolarHBondContact O-CB 3.33Å; A155-M159 PolarHBondContact O-N 2.6Å; A155-I168 HydrophobicContact CB-CD1 4.01Å; A155-I168 HydrophobicContact CB-CG1 4.27Å; A155-I465 HydrophobicContact CB-CD1 4.42Å
156Y90.5Very high88.2Confident39 Ų3936.7 Ų36.715%0.15317%0.172CC..Hα-helixtrans-66.8-41.3176.6179.9-102.7000112.9S152 D153 E154 M159 M160 V192 F244 G248S152-Y156 WeakPolarHBondContact O-CB 3.27Å; S152-Y156 PolarHBondContact O-N 2.75Å; D153-Y156 PolarHBondContact O-N 3.35Å; E154-Y156 VanDerWaalsContact C-N 3.32Å; E154-Y156 PolarHBondContact O-N 2.87Å; Y156-M159 HydrophobicContact CD2-CE 3.83Å; Y156-M159 HydrophobicContact CE2-CE 4.01Å; Y156-M160 HydrophobicContact CE1-CG 4.41Å; Y156-M160 HydrophobicContact CE2-CG 4.41Å; Y156-M160 VanDerWaalsContact O-CG 3.29Å; Y156-M160 WeakPolarHBondContact O-CG 2.94Å; Y156-M160 PolarHBondContact O-N 3.46Å; Y156-M160 VanDerWaalsContact O-N 3.17Å; Y156-V192 HydrophobicContact CD1-CG1 4.1Å; Y156-V192 HydrophobicContact CE1-CG1 3.79Å; Y156-V192 HydrophobicContact CE2-CG1 4.41Å; Y156-F244 HydrophobicContact CD2-CE1 4.07Å; Y156-F244 HydrophobicContact CD2-CZ 4.36Å; Y156-F244 HydrophobicContact CE2-CD1 4.11Å; Y156-F244 AromaticContact CE2-CE1 3.93Å; Y156-F244 HydrophobicContact CE2-CE1 3.93Å; Y156-G248 WeakPolarHBondContact OH-CA 3.05Å; Y156-G248 PolarHBondContact OH-O 2.86Å; Y156-G248 VanDerWaalsContact OH-O 3.13Å
157R86.9Confident88.3Confident59 Ų5936.5 Ų36.522%0.22317%0.171CC..Hα-helixtrans-66.8-45.7176.1-82.9-171.9-79.9924.3111.8R139 D153 E154 M160 Q161R139-R157 PolarHBondContact O-NH2 2.57Å; D153-R157 WeakPolarHBondContact O-CB 3.04Å; D153-R157 WeakPolarHBondContact O-CG 3.29Å; D153-R157 PolarHBondContact O-N 2.62Å; D153-R157 IonicContact OD2-CZ 3.18Å; D153-R157 IonicContact OD2-NE 2.74Å; D153-R157 PolarHBondContact OD2-NE 2.9Å; D153-R157 IonicContact OD2-NH2 3.06Å; D153-R157 PolarHBondContact OD2-NH2 2.73Å; E154-R157 PolarHBondContact O-N 3.5Å; R157-M160 CarbonylContact O-C 3.59Å; R157-M160 PolarHBondContact O-N 2.65Å; R157-M160 VanDerWaalsContact O-N 3.1Å; R157-Q161 WeakPolarHBondContact O-CB 3.39Å; R157-Q161 WeakPolarHBondContact O-CG 3.02Å; R157-Q161 PolarHBondContact O-N 2.69Å
158N85.8Confident88.4Confident31 Ų3136.5 Ų36.517%0.16617%0.171CC..Hα-helixtrans-59-49.8177.9-68.821.3000110.4E154 M160 Q161 D162E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 PolarHBondContact O-N 2.99Å; E154-N158 PolarHBondContact O-OD1 2.87Å; N158-M160 PolarHBondContact O-N 3.24Å; N158-M160 VanDerWaalsContact O-N 3.17Å; N158-Q161 PolarHBondContact O-N 2.7Å; N158-D162 WeakPolarHBondContact CB-OD2 3.4Å; N158-D162 VanDerWaalsContact O-CB 3.31Å; N158-D162 WeakPolarHBondContact O-CB 3.18Å; N158-D162 PolarHBondContact O-N 2.98Å
159M88.1Confident88.4Confident0 Ų036.6 Ų36.60%017%0.171CC..Hα-helixtrans-51.9-41.4173-175.9-168.168.500113.1A155 Y156 K163 Q166 F244 F463 I465A155-M159 WeakPolarHBondContact O-CB 3.33Å; A155-M159 PolarHBondContact O-N 2.6Å; Y156-M159 HydrophobicContact CD2-CE 3.83Å; Y156-M159 HydrophobicContact CE2-CE 4.01Å; M159-K163 VanDerWaalsContact O-CA 3.31Å; M159-K163 WeakPolarHBondContact O-CA 3.11Å; M159-K163 PolarHBondContact O-N 2.58Å; M159-Q166 HydrophobicContact CB-CG 3.79Å; M159-F244 HydrophobicContact CE-CB 3.78Å; M159-F244 HydrophobicContact CE-CD1 4.09Å; M159-F244 HydrophobicContact CE-CD2 3.7Å; M159-F244 HydrophobicContact CE-CE2 4.26Å; M159-F244 HydrophobicContact CE-CG 3.59Å; M159-F244 HydrophobicContact SD-CB 4.09Å; M159-F244 HydrophobicContact SD-CD2 3.49Å; M159-F244 WeakPolarHBondContact SD-CD2 3.06Å; M159-F244 HydrophobicContact SD-CE2 4.12Å; M159-F244 HydrophobicContact SD-CG 3.95Å; M159-F463 HydrophobicContact CG-CB 3.68Å; M159-F463 HydrophobicContact CG-CG 4.18Å; M159-F463 HydrophobicContact SD-CB 3.64Å; M159-I465 HydrophobicContact SD-CD1 4.05Å; M159-I465 HydrophobicContact SD-CG1 3.74Å
160M84.5Confident88.2Confident68 Ų6836.6 Ų36.634%0.33517%0.171SC..Hα-helixtrans-80.7-17.1-179.3-69.6-62.5-60.700114.3Y156 R157 N158 G248Y156-M160 HydrophobicContact CE1-CG 4.41Å; Y156-M160 HydrophobicContact CE2-CG 4.41Å; Y156-M160 VanDerWaalsContact O-CG 3.29Å; Y156-M160 WeakPolarHBondContact O-CG 2.94Å; Y156-M160 PolarHBondContact O-N 3.46Å; Y156-M160 VanDerWaalsContact O-N 3.17Å; R157-M160 CarbonylContact O-C 3.59Å; R157-M160 PolarHBondContact O-N 2.65Å; R157-M160 VanDerWaalsContact O-N 3.1Å; N158-M160 PolarHBondContact O-N 3.24Å; N158-M160 VanDerWaalsContact O-N 3.17Å; M160-G248 VanDerWaalsContact SD-CA 3.58Å
161Q80.8Confident88Confident112 Ų11237 Ų3752%0.52317%0.173SC..Hα-helixtrans-95.8-57.2178.4-73.2178.2-37.400110.9R157 N158 K163R157-Q161 WeakPolarHBondContact O-CB 3.39Å; R157-Q161 WeakPolarHBondContact O-CG 3.02Å; R157-Q161 PolarHBondContact O-N 2.69Å; N158-Q161 PolarHBondContact O-N 2.7Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 2.61Å
162D79.6Confident87.4Confident82 Ų8236.8 Ų36.844%0.43917%0.174SC..Hα-helixtrans-69.4-31.5-177.8-48.3-27.8000111.8N158 E164N158-D162 WeakPolarHBondContact CB-OD2 3.4Å; N158-D162 VanDerWaalsContact O-CB 3.31Å; N158-D162 WeakPolarHBondContact O-CB 3.18Å; N158-D162 PolarHBondContact O-N 2.98Å; D162-E164 HydrophobicContact CB-CB 4.22Å; D162-E164 HydrophobicContact CB-CG 4.29Å; D162-E164 PolarHBondContact O-N 2.99Å
163K82.5Confident86.7Confident149 Ų14938.2 Ų38.265%0.64818%0.18SC*.  trans62.525-167.8-54.4167.8-170.3162.50113.1M159 Q161 F463M159-K163 VanDerWaalsContact O-CA 3.31Å; M159-K163 WeakPolarHBondContact O-CA 3.11Å; M159-K163 PolarHBondContact O-N 2.58Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 2.61Å; K163-F463 HydrophobicContact CB-CE1 3.76Å; K163-F463 HydrophobicContact CB-CZ 3.76Å; K163-F463 HydrophobicContact CG-CZ 4.07Å; K163-F463 WeakPolarHBondContact O-CE1 3.01Å
164E84.1Confident85.8Confident121 Ų12138.4 Ų38.457%0.56518%0.182SC*.  trans-106.4149.2174.4-64.2-168166.200111.7D162 Q166D162-E164 HydrophobicContact CB-CB 4.22Å; D162-E164 HydrophobicContact CB-CG 4.29Å; D162-E164 PolarHBondContact O-N 2.99Å; E164-Q166 PolarHBondContact O-NE2 3.18Å
165N90.5Very high85.2Confident44 Ų4436.4 Ų36.424%0.23518%0.175CC..  trans-69.4143.6177.6-61.4-59.8000110.9F463 F464 T678 H679N165-F463 WeakPolarHBondContact OD1-CA 3.15Å; N165-F464 HydrophobicContact CB-CD1 4.01Å; N165-F464 HydrophobicContact CB-CE1 3.73Å; N165-F464 HydrophobicContact CB-CE2 4.41Å; N165-F464 HydrophobicContact CB-CG 4.46Å; N165-F464 HydrophobicContact CB-CZ 3.94Å; N165-F464 VanDerWaalsContact CG-CD1 3.46Å; N165-F464 WeakPolarHBondContact OD1-CD1 3.14Å; N165-F464 PolarHBondContact OD1-N 2.68Å; N165-T678 HydrophobicContact CB-CG2 3.88Å; N165-T678 CarbonylContact O-C 3.6Å; N165-T678 WeakPolarHBondContact O-CA 3.12Å; N165-T678 WeakPolarHBondContact O-CB 3Å; N165-H679 PolarHBondContact O-N 2.92Å
166Q92.5Very high84.7Confident0 Ų036.5 Ų36.50%018%0.175CC..EExtended strand (participates in β ladder)trans-117.6160.7-175.7-49-80-52.900110M159 E164 F464 I465 G466 H679 H681M159-Q166 HydrophobicContact CB-CG 3.79Å; E164-Q166 PolarHBondContact O-NE2 3.18Å; Q166-F464 PolarHBondContact N-O 2.73Å; Q166-F464 VanDerWaalsContact N-O 3.16Å; Q166-I465 HydrophobicContact CB-CG1 4.3Å; Q166-I465 HydrophobicContact CB-CG2 4.49Å; Q166-I465 CarbonylContact O-C 3.55Å; Q166-I465 WeakPolarHBondContact O-CA 3.46Å; Q166-G466 PolarHBondContact O-N 2.75Å; Q166-H679 CarbonylContact C-O 3.51Å; Q166-H679 WeakPolarHBondContact CA-O 3.42Å; Q166-H681 PolarHBondContact OE1-NE2 2.78Å
167S92.4Very high84.3Confident0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-134.8151.9168.155.50000112.1L169 G466 T678 H679 H681S167-L169 WeakPolarHBondContact OG-CD1 3.25Å; S167-G466 CarbonylContact C-O 3.55Å; S167-G466 WeakPolarHBondContact CA-O 3.29Å; S167-G466 VanDerWaalsContact CB-O 3.25Å; S167-G466 WeakPolarHBondContact CB-O 3.1Å; S167-T678 VanDerWaalsContact CB-OG1 3.28Å; S167-T678 WeakPolarHBondContact CB-OG1 3.43Å; S167-T678 PolarHBondContact OG-OG1 3.5Å; S167-H679 PolarHBondContact N-O 2.91Å; S167-H681 WeakPolarHBondContact O-CB 3.1Å; S167-H681 PolarHBondContact O-CD2 2.83Å; S167-H681 PolarHBondContact O-N 3.01Å
168I93Very high84.2Confident0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-123.6108.4178.1-61.6179.2000107.7A155 I170 V185 F189 I465 G466 V467 L468 H681 I683A155-I168 HydrophobicContact CB-CD1 4.01Å; A155-I168 HydrophobicContact CB-CG1 4.27Å; I168-I170 HydrophobicContact CG2-CG1 4.26Å; I168-V185 HydrophobicContact CD1-CG1 3.9Å; I168-F189 HydrophobicContact CD1-CE2 3.94Å; I168-F189 HydrophobicContact CD1-CZ 3.76Å; I168-I465 HydrophobicContact CD1-CG2 3.97Å; I168-I465 HydrophobicContact CG1-CG2 4.04Å; I168-G466 PolarHBondContact N-O 2.65Å; I168-V467 HydrophobicContact CB-CG1 4.39Å; I168-V467 HydrophobicContact CB-CG2 4.42Å; I168-V467 WeakPolarHBondContact O-CA 3.48Å; I168-L468 PolarHBondContact O-N 3.18Å; I168-H681 CarbonylContact C-O 3.44Å; I168-H681 WeakPolarHBondContact CA-O 3.1Å; I168-H681 HydrophobicContact CG1-CB 4.23Å; I168-I683 HydrophobicContact CG2-CD1 3.53Å
169L91.1Very high83.9Confident1 Ų132.9 Ų32.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-100.8107.4-174-6587.7000110.2S167 L468 L493 F496 L675 P680 H681 F682 I683S167-L169 WeakPolarHBondContact OG-CD1 3.25Å; L169-L468 HydrophobicContact CD2-CD2 4.14Å; L169-L468 HydrophobicContact CG-CD2 4.29Å; L169-L493 HydrophobicContact CD2-CD2 4.21Å; L169-F496 HydrophobicContact CD1-CE1 4.44Å; L169-F496 HydrophobicContact CD2-CD1 3.97Å; L169-F496 HydrophobicContact CD2-CE1 3.8Å; L169-L675 HydrophobicContact CD1-CD2 4.46Å; L169-L675 HydrophobicContact CD2-CD1 4.34Å; L169-L675 HydrophobicContact CD2-CD2 4.28Å; L169-L675 HydrophobicContact CG-CD2 4.37Å; L169-P680 HydrophobicContact CD1-CB 3.63Å; L169-H681 PolarHBondContact N-O 2.81Å; L169-F682 HydrophobicContact CB-CD1 3.99Å; L169-F682 HydrophobicContact CB-CE1 4.27Å; L169-F682 HydrophobicContact CD1-CE1 4.37Å; L169-F682 HydrophobicContact CD2-CE1 3.98Å; L169-F682 HydrophobicContact CG-CE1 4.45Å; L169-I683 PolarHBondContact O-N 3.18Å
170I89.2Confident83.7Confident1 Ų136.3 Ų36.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-97.8111.2179.3-56.8172.2000108.1I168 K178 N181 T182 V185 V467 L468 I683I168-I170 HydrophobicContact CG2-CG1 4.26Å; I170-K178 HydrophobicContact CG2-CB 3.72Å; I170-K178 HydrophobicContact CG2-CG 4Å; I170-N181 HydrophobicContact CD1-CB 4.26Å; I170-N181 HydrophobicContact CG2-CB 4.39Å; I170-T182 WeakPolarHBondContact CD1-OG1 3.49Å; I170-V185 HydrophobicContact CD1-CG2 4.19Å; I170-V467 HydrophobicContact CD1-CG1 4.2Å; I170-L468 PolarHBondContact N-O 2.68Å; I170-L468 VanDerWaalsContact N-O 3.15Å; I170-I683 HydrophobicContact CD1-CD1 4.37Å; I170-I683 HydrophobicContact CG1-CB 4.19Å; I170-I683 HydrophobicContact CG1-CD1 3.84Å; I170-I683 HydrophobicContact CG2-CG2 4.36Å
171T85Confident84Confident9 Ų933.5 Ų33.56%0.05517%0.17CC..EExtended strand (participates in β ladder)trans-123.2165.2-169.4560000111.5I683 R684 C685T171-I683 PolarHBondContact N-O 2.67Å; T171-I683 PolarHBondContact OG1-O 3.24Å; T171-R684 WeakPolarHBondContact OG1-CD 3.32Å; T171-C685 VanDerWaalsContact O-CB 3.29Å; T171-C685 WeakPolarHBondContact O-CB 3.38Å; T171-C685 PolarHBondContact O-N 2.65Å
172G78.7Confident84.3Confident6 Ų628.2 Ų28.26%0.06215%0.145CC..EExtended strand (participates in β ladder)trans131.9173.3-177.200000114K178 G472 C685G172-K178 PolarHBondContact O-NZ 2.71Å; G172-G472 WeakPolarHBondContact O-CA 3Å; G172-C685 VanDerWaalsContact CA-O 3.28Å; G172-C685 WeakPolarHBondContact CA-O 3.33Å
173E76.2Confident84.6Confident30 Ų3026.5 Ų26.514%0.1413%0.134CC..SBendtrans-64.8165.8-175.5-70.8-167.7-155.700114.5G175 A176 K178 R229 V687 Q705E173-G175 PolarHBondContact O-N 3.07Å; E173-A176 VanDerWaalsContact O-CB 3.26Å; E173-A176 WeakPolarHBondContact O-CB 3.41Å; E173-A176 PolarHBondContact O-N 3.36Å; E173-K178 PolarHBondContact O-NZ 3.37Å; E173-R229 IonicContact OE2-NH1 3.22Å; E173-R229 PolarHBondContact OE2-NH1 2.67Å; E173-V687 HydrophobicContact CB-CG2 3.98Å; E173-Q705 HydrophobicContact CG-CG 4.33Å; E173-Q705 WeakPolarHBondContact OE1-CG 3.04Å
174S73Confident84.9Confident7 Ų722.6 Ų22.65%0.04912%0.115CC..THydrogen-bonded Turntrans-64.4123.2172.7-157.90000110S233 E474S174-S233 PolarHBondContact OG-OG 3.18Å; S174-E474 VanDerWaalsContact CB-OE1 3.27Å; S174-E474 WeakPolarHBondContact CB-OE1 2.94Å; S174-E474 PolarHBondContact OG-OE1 3.09Å
175G74Confident85.2Confident6 Ų616.8 Ų16.86%0.0629%0.088CC..THydrogen-bonded Turntrans94.3-5.3-171.900000116.2N120 E173 G177N120-G175 PolarHBondContact ND2-O 2.69Å; E173-G175 PolarHBondContact O-N 3.07Å; G175-G177 PolarHBondContact O-N 2.68Å
176A81.4Confident85Confident1 Ų114.8 Ų14.81%0.0088%0.078CC..SBendtrans-70.32.1-178.800000115.7E173 C685 V687E173-A176 VanDerWaalsContact O-CB 3.26Å; E173-A176 WeakPolarHBondContact O-CB 3.41Å; E173-A176 PolarHBondContact O-N 3.36Å; A176-C685 HydrophobicContact CB-CB 3.64Å; A176-C685 WeakPolarHBondContact O-CB 3.46Å; A176-V687 HydrophobicContact CB-CG2 3.85Å
177G81.6Confident84.6Confident20 Ų2016.6 Ų16.621%0.2069%0.09CC..SBendtrans83.418.3178.300000115.8G175 T179 E180 N181G175-G177 PolarHBondContact O-N 2.68Å; G177-T179 PolarHBondContact O-N 2.56Å; G177-E180 PolarHBondContact O-N 2.86Å; G177-N181 PolarHBondContact O-N 2.87Å; G177-N181 PolarHBondContact O-ND2 2.66Å
178K84.6Confident84.5Confident11 Ų1116.6 Ų16.65%0.0489%0.09CC..Hα-helixtrans-54.7-49.6-180-59.5-167.9-66.2-790113.2I170 G172 E173 E180 N181 T182 D469 I470 G472 C685I170-K178 HydrophobicContact CG2-CB 3.72Å; I170-K178 HydrophobicContact CG2-CG 4Å; G172-K178 PolarHBondContact O-NZ 2.71Å; E173-K178 PolarHBondContact O-NZ 3.37Å; K178-E180 PolarHBondContact O-N 3.45Å; K178-N181 PolarHBondContact O-N 2.67Å; K178-T182 PolarHBondContact O-N 2.71Å; K178-T182 PolarHBondContact O-OG1 2.95Å; K178-D469 WeakPolarHBondContact CB-OD1 3.4Å; K178-I470 WeakPolarHBondContact CE-O 3.23Å; K178-G472 VanDerWaalsContact NZ-N 3.18Å; K178-C685 HydrophobicContact CG-CB 4.05Å
179T80Confident84.3Confident22 Ų2216.7 Ų16.714%0.1359%0.09CC..Hα-helixtrans-62.6-37.8179.8-510000112.8G177 T182 K183 E220 D469G177-T179 PolarHBondContact O-N 2.56Å; T179-T182 WeakPolarHBondContact O-CB 3.14Å; T179-T182 PolarHBondContact O-N 3.49Å; T179-K183 PolarHBondContact O-N 2.63Å; T179-K183 VanDerWaalsContact O-N 3.11Å; T179-E220 WeakPolarHBondContact CG2-OE1 3.24Å; T179-D469 VanDerWaalsContact CA-OD2 3.23Å; T179-D469 WeakPolarHBondContact CA-OD2 3.48Å; T179-D469 WeakPolarHBondContact CB-OD2 3.44Å; T179-D469 PolarHBondContact N-OD1 2.72Å; T179-D469 PolarHBondContact OG1-OD1 3.25Å; T179-D469 PolarHBondContact OG1-OD2 3.1Å
180E83.4Confident83.8Confident72 Ų7217 Ų1734%0.3369%0.094SC..Hα-helixtrans-66.8-47.5173.2-84.5-58.1122.400112G177 K178 T182 K183 R184G177-E180 PolarHBondContact O-N 2.86Å; K178-E180 PolarHBondContact O-N 3.45Å; E180-T182 PolarHBondContact O-N 3.27Å; E180-K183 WeakPolarHBondContact O-CB 3.26Å; E180-K183 PolarHBondContact O-N 2.75Å; E180-K183 VanDerWaalsContact O-N 3.14Å; E180-K183 VanDerWaalsContact OE1-CD 3.31Å; E180-K183 WeakPolarHBondContact OE1-CD 3.2Å; E180-K183 WeakPolarHBondContact OE1-CE 3.44Å; E180-K183 IonicContact OE1-NZ 3.18Å; E180-K183 PolarHBondContact OE1-NZ 2.75Å; E180-R184 WeakPolarHBondContact O-CG 3.36Å; E180-R184 PolarHBondContact O-N 2.94Å; E180-R184 IonicContact OE2-CZ 3.02Å; E180-R184 IonicContact OE2-NE 3.8Å; E180-R184 IonicContact OE2-NH2 2.94Å; E180-R184 PolarHBondContact OE2-NH2 3.19Å
181N89.9Confident83.4Confident10 Ų1019 Ų195%0.05311%0.106CC..Hα-helixtrans-55-42173.4-76.7-72.8000110.9Y109 L148 I170 G177 K178 K183 R184 V185Y109-N181 WeakPolarHBondContact CE1-OD1 3.19Å; Y109-N181 PolarHBondContact OH-OD1 2.75Å; L148-N181 HydrophobicContact CD1-CB 4.28Å; L148-N181 HydrophobicContact CD2-CB 4.41Å; L148-N181 VanDerWaalsContact CD2-O 3.31Å; L148-N181 WeakPolarHBondContact CD2-O 3.05Å; I170-N181 HydrophobicContact CD1-CB 4.26Å; I170-N181 HydrophobicContact CG2-CB 4.39Å; G177-N181 PolarHBondContact O-N 2.87Å; G177-N181 PolarHBondContact O-ND2 2.66Å; K178-N181 PolarHBondContact O-N 2.67Å; N181-K183 PolarHBondContact O-N 3.29Å; N181-R184 WeakPolarHBondContact O-CA 3.43Å; N181-R184 PolarHBondContact O-N 2.73Å; N181-V185 PolarHBondContact O-N 2.68Å
182T86.8Confident83.3Confident0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-57.8-45.8177.2-50.20000112.5I170 K178 T179 E180 R184 V185 I186 I240 V467 D469I170-T182 WeakPolarHBondContact CD1-OG1 3.49Å; K178-T182 PolarHBondContact O-N 2.71Å; K178-T182 PolarHBondContact O-OG1 2.95Å; T179-T182 WeakPolarHBondContact O-CB 3.14Å; T179-T182 PolarHBondContact O-N 3.49Å; E180-T182 PolarHBondContact O-N 3.27Å; T182-R184 PolarHBondContact O-N 2.88Å; T182-V185 PolarHBondContact O-N 3.4Å; T182-I186 HydrophobicContact CG2-CD1 4Å; T182-I186 VanDerWaalsContact O-CG1 3.32Å; T182-I186 WeakPolarHBondContact O-CG1 3.4Å; T182-I186 PolarHBondContact O-N 3Å; T182-I240 HydrophobicContact CG2-CD1 4.41Å; T182-V467 HydrophobicContact CG2-CG1 3.91Å; T182-D469 HydrophobicContact CG2-CB 4.14Å; T182-D469 WeakPolarHBondContact OG1-CB 2.94Å
183K86.1Confident82.9Confident46 Ų4619.6 Ų19.620%0.211%0.109CC..Hα-helixtrans-58.3-35174.5-67.6172.7-170.8169.50112.2T179 E180 N181 S187 E220T179-K183 PolarHBondContact O-N 2.63Å; T179-K183 VanDerWaalsContact O-N 3.11Å; E180-K183 WeakPolarHBondContact O-CB 3.26Å; E180-K183 PolarHBondContact O-N 2.75Å; E180-K183 VanDerWaalsContact O-N 3.14Å; E180-K183 VanDerWaalsContact OE1-CD 3.31Å; E180-K183 WeakPolarHBondContact OE1-CD 3.2Å; E180-K183 WeakPolarHBondContact OE1-CE 3.44Å; E180-K183 IonicContact OE1-NZ 3.18Å; E180-K183 PolarHBondContact OE1-NZ 2.75Å; N181-K183 PolarHBondContact O-N 3.29Å; K183-S187 VanDerWaalsContact O-CB 3.32Å; K183-S187 WeakPolarHBondContact O-CB 3.27Å; K183-S187 PolarHBondContact O-N 2.74Å; K183-E220 VanDerWaalsContact CE-CD 3.43Å; K183-E220 WeakPolarHBondContact CE-OE1 3.42Å; K183-E220 WeakPolarHBondContact CE-OE2 3.13Å; K183-E220 IonicContact NZ-OE1 3Å; K183-E220 PolarHBondContact NZ-OE1 3.42Å; K183-E220 IonicContact NZ-OE2 2.86Å; K183-E220 PolarHBondContact NZ-OE2 2.64Å
184R89.7Confident82.5Confident67 Ų6719.8 Ų19.825%0.25312%0.116SC..Hα-helixtrans-76.1-36.4179.3-51-49161.7162.4-6.6112.3Y128 L148 F149 E180 N181 T182 S187 Y188Y128-R184 HydrophobicContact CD1-CB 4.14Å; Y128-R184 HydrophobicContact CD1-CG 3.69Å; Y128-R184 HydrophobicContact CD2-CG 4.38Å; Y128-R184 HydrophobicContact CE1-CB 4.34Å; Y128-R184 HydrophobicContact CE1-CG 3.78Å; Y128-R184 HydrophobicContact CE2-CG 4.45Å; Y128-R184 HydrophobicContact CG-CG 4.01Å; L148-R184 HydrophobicContact CD2-CB 3.46Å; L148-R184 VanDerWaalsContact CD2-CB 3.46Å; L148-R184 HydrophobicContact CD2-CG 4.5Å; F149-R184 HydrophobicContact CE1-CB 4.19Å; F149-R184 WeakPolarHBondContact CE1-O 3.27Å; E180-R184 WeakPolarHBondContact O-CG 3.36Å; E180-R184 PolarHBondContact O-N 2.94Å; E180-R184 IonicContact OE2-CZ 3.02Å; E180-R184 IonicContact OE2-NE 3.8Å; E180-R184 IonicContact OE2-NH2 2.94Å; E180-R184 PolarHBondContact OE2-NH2 3.19Å; N181-R184 WeakPolarHBondContact O-CA 3.43Å; N181-R184 PolarHBondContact O-N 2.73Å; T182-R184 PolarHBondContact O-N 2.88Å; R184-S187 PolarHBondContact O-N 2.69Å; R184-Y188 PolarHBondContact O-N 2.72Å
185V90.1Very high81.8Confident0 Ų022.2 Ų22.20%013%0.13CC..Hα-helixtrans-58.2-48.6169176.50000110.3L148 I168 I170 N181 T182 S187 Y188 F189 V467L148-V185 HydrophobicContact CD1-CG2 3.75Å; L148-V185 HydrophobicContact CD2-CG2 3.8Å; L148-V185 HydrophobicContact CG-CG2 3.81Å; I168-V185 HydrophobicContact CD1-CG1 3.9Å; I170-V185 HydrophobicContact CD1-CG2 4.19Å; N181-V185 PolarHBondContact O-N 2.68Å; T182-V185 PolarHBondContact O-N 3.4Å; V185-S187 PolarHBondContact O-N 3.44Å; V185-Y188 WeakPolarHBondContact O-CB 3.48Å; V185-Y188 PolarHBondContact O-N 2.73Å; V185-F189 HydrophobicContact CG1-CD2 3.77Å; V185-F189 HydrophobicContact CG1-CE2 3.31Å; V185-F189 HydrophobicContact CG1-CZ 4.15Å; V185-F189 WeakPolarHBondContact O-CD2 3.01Å; V185-F189 PolarHBondContact O-N 2.79Å; V185-F189 VanDerWaalsContact O-N 3.11Å; V185-V467 HydrophobicContact CG1-CG1 4.36Å; V185-V467 HydrophobicContact CG1-CG2 3.95Å
186I86.5Confident80.9Confident2 Ų230.1 Ų30.11%0.0117%0.166CC..Hα-helixtrans-60.8-47.2179-67.3164.4000111.1T182 Y188 F189 A190 I212 V213 I240 I242T182-I186 HydrophobicContact CG2-CD1 4Å; T182-I186 VanDerWaalsContact O-CG1 3.32Å; T182-I186 WeakPolarHBondContact O-CG1 3.4Å; T182-I186 PolarHBondContact O-N 3Å; I186-Y188 VanDerWaalsContact C-N 3.27Å; I186-Y188 PolarHBondContact O-N 2.82Å; I186-F189 PolarHBondContact O-N 2.66Å; I186-A190 VanDerWaalsContact O-CB 3.22Å; I186-A190 WeakPolarHBondContact O-CB 3.45Å; I186-A190 PolarHBondContact O-N 2.79Å; I186-I212 HydrophobicContact CG2-CG2 3.48Å; I186-I212 VanDerWaalsContact CG2-CG2 3.48Å; I186-V213 HydrophobicContact CG2-CG2 4.49Å; I186-I240 HydrophobicContact CD1-CD1 3.72Å; I186-I240 HydrophobicContact CD1-CG2 4.42Å; I186-I242 HydrophobicContact CG1-CD1 4.32Å
187S84.6Confident79.3Confident38 Ų3834.8 Ų34.827%0.26620%0.198SC..Hα-helixtrans-60.7-34177.2-178.60000113.2K183 R184 V185 T191K183-S187 VanDerWaalsContact O-CB 3.32Å; K183-S187 WeakPolarHBondContact O-CB 3.27Å; K183-S187 PolarHBondContact O-N 2.74Å; R184-S187 PolarHBondContact O-N 2.69Å; V185-S187 PolarHBondContact O-N 3.44Å; S187-T191 PolarHBondContact O-N 2.88Å; S187-T191 VanDerWaalsContact O-N 3.14Å; S187-T191 PolarHBondContact O-OG1 3.28Å
188Y89.6Confident77.7Confident0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-63.7-54.9172.8-178.2-92.1000111.5I133 M137 F149 D153 R184 V185 I186 A190 T191 V192I133-Y188 HydrophobicContact CB-CD2 4.5Å; I133-Y188 HydrophobicContact CG1-CD2 4.36Å; I133-Y188 HydrophobicContact CG2-CD2 3.8Å; I133-Y188 HydrophobicContact CG2-CE2 3.95Å; M137-Y188 WeakPolarHBondContact CA-OH 3.27Å; F149-Y188 HydrophobicContact CB-CD2 3.67Å; F149-Y188 HydrophobicContact CB-CE2 3.85Å; F149-Y188 HydrophobicContact CB-CG 4.49Å; F149-Y188 AromaticContact CD1-CD2 3.65Å; F149-Y188 HydrophobicContact CD1-CD2 3.65Å; F149-Y188 HydrophobicContact CD1-CG 4.02Å; F149-Y188 HydrophobicContact CD2-CD2 4.24Å; F149-Y188 HydrophobicContact CE1-CD2 4.34Å; F149-Y188 AromaticContact CG-CD2 3.6Å; F149-Y188 HydrophobicContact CG-CD2 3.6Å; F149-Y188 HydrophobicContact CG-CE2 4.23Å; F149-Y188 HydrophobicContact CG-CG 4.39Å; D153-Y188 HydrophobicContact CB-CE1 4.33Å; D153-Y188 VanDerWaalsContact CB-OH 3.27Å; D153-Y188 WeakPolarHBondContact CB-OH 3.13Å; D153-Y188 PolarHBondContact OD1-OH 3.39Å; R184-Y188 PolarHBondContact O-N 2.72Å; V185-Y188 WeakPolarHBondContact O-CB 3.48Å; V185-Y188 PolarHBondContact O-N 2.73Å; I186-Y188 VanDerWaalsContact C-N 3.27Å; I186-Y188 PolarHBondContact O-N 2.82Å; Y188-A190 VanDerWaalsContact C-N 3.34Å; Y188-A190 PolarHBondContact O-N 2.77Å; Y188-T191 PolarHBondContact O-N 3.13Å; Y188-V192 HydrophobicContact CD1-CG2 4.19Å; Y188-V192 HydrophobicContact CE1-CG2 3.7Å; Y188-V192 HydrophobicContact CE2-CG2 4.06Å; Y188-V192 WeakPolarHBondContact O-CG2 2.98Å; Y188-V192 PolarHBondContact O-N 2.7Å
189F88.1Confident75.8Confident1 Ų143.4 Ų43.40%0.00423%0.231CC..Hα-helixtrans-63.1-38.8178.9-64.7-47.8000112.8S152 I168 V185 I186 T191 V192 G193 I242 F244 I465 V467S152-F189 VanDerWaalsContact O-CE1 3.3Å; S152-F189 WeakPolarHBondContact O-CE1 3.16Å; I168-F189 HydrophobicContact CD1-CE2 3.94Å; I168-F189 HydrophobicContact CD1-CZ 3.76Å; V185-F189 HydrophobicContact CG1-CD2 3.77Å; V185-F189 HydrophobicContact CG1-CE2 3.31Å; V185-F189 HydrophobicContact CG1-CZ 4.15Å; V185-F189 WeakPolarHBondContact O-CD2 3.01Å; V185-F189 PolarHBondContact O-N 2.79Å; V185-F189 VanDerWaalsContact O-N 3.11Å; I186-F189 PolarHBondContact O-N 2.66Å; F189-T191 PolarHBondContact O-N 2.7Å; F189-V192 PolarHBondContact O-N 2.67Å; F189-G193 PolarHBondContact O-N 3.13Å; F189-I242 HydrophobicContact CB-CD1 4.41Å; F189-I242 HydrophobicContact CD2-CD1 3.53Å; F189-I242 HydrophobicContact CE2-CD1 4.22Å; F189-I242 HydrophobicContact CG-CD1 4.38Å; F189-F244 HydrophobicContact CB-CZ 4.24Å; F189-F244 HydrophobicContact CD1-CZ 4.1Å; F189-F244 HydrophobicContact CG-CZ 4.16Å; F189-I465 HydrophobicContact CD1-CD1 4.49Å; F189-I465 HydrophobicContact CE1-CD1 3.72Å; F189-I465 HydrophobicContact CE2-CD1 4.32Å; F189-I465 HydrophobicContact CE2-CG2 4.03Å; F189-I465 HydrophobicContact CZ-CD1 3.61Å; F189-I465 HydrophobicContact CZ-CG2 4.03Å; F189-V467 HydrophobicContact CE2-CG2 4.43Å
190A81.6Confident74.3Confident9 Ų948.3 Ų48.37%0.07426%0.261CS..Hα-helixtrans-58.7-26.817200000113I186 Y188 A194 E209 V213I186-A190 VanDerWaalsContact O-CB 3.22Å; I186-A190 WeakPolarHBondContact O-CB 3.45Å; I186-A190 PolarHBondContact O-N 2.79Å; Y188-A190 VanDerWaalsContact C-N 3.34Å; Y188-A190 PolarHBondContact O-N 2.77Å; A190-A194 WeakPolarHBondContact O-CB 3.11Å; A190-E209 HydrophobicContact CB-CB 4.14Å; A190-E209 WeakPolarHBondContact O-CG 3.1Å; A190-V213 HydrophobicContact CB-CG2 4.19Å
191T81.6Confident72.6Confident42 Ų4253.7 Ų53.726%0.25828%0.283SS..Hα-helixtrans-89.4-37.3176.5-55.10000112.4E130 I133 S187 Y188 F189E130-T191 HydrophobicContact CG-CG2 4.2Å; I133-T191 HydrophobicContact CD1-CG2 4.43Å; I133-T191 HydrophobicContact CG2-CG2 3.72Å; S187-T191 PolarHBondContact O-N 2.88Å; S187-T191 VanDerWaalsContact O-N 3.14Å; S187-T191 PolarHBondContact O-OG1 3.28Å; Y188-T191 PolarHBondContact O-N 3.13Å; F189-T191 PolarHBondContact O-N 2.7Å
192V81.6Confident70.2Confident23 Ų2355.8 Ų55.814%0.13930%0.302CS..Hα-helixtrans-78.7-41.4-176.8173.90000112.6M137 Y156 Y188 F189 A194M137-V192 HydrophobicContact CG-CG2 4.02Å; M137-V192 HydrophobicContact SD-CG2 4.28Å; Y156-V192 HydrophobicContact CD1-CG1 4.1Å; Y156-V192 HydrophobicContact CE1-CG1 3.79Å; Y156-V192 HydrophobicContact CE2-CG1 4.41Å; Y188-V192 HydrophobicContact CD1-CG2 4.19Å; Y188-V192 HydrophobicContact CE1-CG2 3.7Å; Y188-V192 HydrophobicContact CE2-CG2 4.06Å; Y188-V192 WeakPolarHBondContact O-CG2 2.98Å; Y188-V192 PolarHBondContact O-N 2.7Å; F189-V192 PolarHBondContact O-N 2.67Å; V192-A194 PolarHBondContact O-N 3.38Å
193G70.5Confident68.1Low5 Ų559.3 Ų59.35%0.05234%0.339CS..SBendtrans-77.7-2.7179.300000114.6F189F189-G193 PolarHBondContact O-N 3.13Å
194A68.1Low66.4Low34 Ų3467.2 Ų67.228%0.28137%0.373SS..SBendtrans-75.7137.7-17500000113.4A190 V192 Q196 E209A190-A194 WeakPolarHBondContact O-CB 3.11Å; V192-A194 PolarHBondContact O-N 3.38Å; A194-Q196 PolarHBondContact O-N 2.68Å; A194-E209 VanDerWaalsContact CA-OE1 3.25Å; A194-E209 WeakPolarHBondContact CA-OE1 3.11Å; A194-E209 HydrophobicContact CB-CG 4.08Å; A194-E209 WeakPolarHBondContact CB-OE1 3.43Å
195T58.2Low64.8Low57 Ų5772.6 Ų72.635%0.3540%0.398SS..  trans-77.4109.7173.550.50000111.3S197 A198 K249T195-S197 PolarHBondContact O-N 2.88Å; T195-A198 WeakPolarHBondContact O-CB 3.01Å; T195-A198 PolarHBondContact O-N 2.79Å; T195-K249 HydrophobicContact CG2-CD 3.84Å
196Q54.7Low63.4Low173 Ų17374.4 Ų74.481%0.80841%0.414SS*.THydrogen-bonded Turntrans-53-26.2178.9-63.5-173.75.900113.7A194 A198A194-Q196 PolarHBondContact O-N 2.68Å; Q196-A198 VanDerWaalsContact C-N 3.32Å; Q196-A198 PolarHBondContact O-N 3.29Å
197S48.1Very low62.7Low98 Ų9876.1 Ų76.169%0.68542%0.424SS*.THydrogen-bonded Turntrans-73-12.2176.8-48.70000115.4T195T195-S197 PolarHBondContact O-N 2.88Å
198A47.6Very low62.1Low33 Ų3375.6 Ų75.627%0.27342%0.418SS..THydrogen-bonded Turntrans-82.4-40.3-178.200000113T195 Q196 T200 K201 A202T195-A198 WeakPolarHBondContact O-CB 3.01Å; T195-A198 PolarHBondContact O-N 2.79Å; Q196-A198 VanDerWaalsContact C-N 3.32Å; Q196-A198 PolarHBondContact O-N 3.29Å; A198-T200 PolarHBondContact O-N 2.72Å; A198-K201 PolarHBondContact O-N 2.66Å; A198-A202 PolarHBondContact O-N 3.28Å
199R45.9Very low61.4Low180 Ų18077.1 Ų77.168%0.67943%0.425SS*.THydrogen-bonded Turntrans-56.8-16.6-176.9-90-177.9166.4-174.5-6.8114.7E130E130-R199 VanDerWaalsContact CD-NH1 3.35Å; E130-R199 IonicContact OE1-CZ 2.68Å; E130-R199 IonicContact OE1-NH1 2.61Å; E130-R199 PolarHBondContact OE1-NH1 2.72Å; E130-R199 IonicContact OE1-NH2 3.72Å; E130-R199 IonicContact OE2-CZ 2.7Å; E130-R199 IonicContact OE2-NH1 3.79Å; E130-R199 PolarHBondContact OE2-NH1 2.77Å; E130-R199 IonicContact OE2-NH2 3.51Å; E130-R199 PolarHBondContact OE2-NH2 2.57Å
200T47.1Very low60.8Low124 Ų12481.8 Ų81.876%0.76145%0.447SS*.THydrogen-bonded Turntrans-1010.7178.951.20000114.9A198A198-T200 PolarHBondContact O-N 2.72Å
201K47.3Very low60.8Low185 Ų18582.3 Ų82.380%0.80445%0.448SS*.THydrogen-bonded Turntrans-129.7-22.5-179.4-69.7-174.5176.8-178.50115.3A198 G203A198-K201 PolarHBondContact O-N 2.66Å; K201-G203 PolarHBondContact O-N 2.7Å
202A40.8Very low60.7Low55 Ų5580.5 Ų80.546%0.45544%0.437SS..  trans-80.174.9-173.200000113.5A198A198-A202 PolarHBondContact O-N 3.28Å
203G42.9Very low60.7Low74 Ų7482.4 Ų82.476%0.76345%0.448SS*.SBendtrans-82.4-4.2-178.100000116.9K201K201-G203 PolarHBondContact O-N 2.7Å
204K50.1Low61.3Low212 Ų21284.8 Ų84.892%0.92246%0.457SS*.SBendtrans-153.40.5-172.6-78.1-159.4176.1-171.70117.1
205K56.4Low62.1Low179 Ų17983.3 Ų83.378%0.77844%0.444SS*.SBendtrans-125.4130.8177-73.2-167.9173.5-167.80108.6
206A60.5Low63.2Low39 Ų3981.1 Ų81.132%0.32243%0.431SS..  trans-60.2148.8170.100000110.2E210 Q211 V345A206-E210 VanDerWaalsContact CA-OE2 3.28Å; A206-E210 WeakPolarHBondContact CA-OE2 3.4Å; A206-Q211 HydrophobicContact CB-CG 4.42Å; A206-V345 HydrophobicContact CB-CG1 3.86Å
207T70.4Confident64.7Low37 Ų3774.4 Ų74.423%0.22740%0.402CS..  trans-92.1158.8177.388.80000111E209 E210 Q211T207-E209 WeakPolarHBondContact CB-OE2 2.91Å; T207-E209 PolarHBondContact O-N 3.48Å; T207-E209 PolarHBondContact OG1-OE2 3.48Å; T207-E210 PolarHBondContact N-OE2 2.68Å; T207-E210 WeakPolarHBondContact O-CB 3.35Å; T207-E210 PolarHBondContact O-N 3.09Å; T207-Q211 WeakPolarHBondContact O-CG 3.31Å; T207-Q211 PolarHBondContact O-N 2.7Å
208L73.2Confident66.6Low27 Ų2769.8 Ų69.814%0.14137%0.37CS..Hα-helixtrans-57.5-36.7179.7179.266.8000111E210 Q211 I212 L250 L454 V456L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 2.74Å; L208-Q211 PolarHBondContact O-N 2.68Å; L208-I212 HydrophobicContact CD1-CD1 4.38Å; L208-I212 HydrophobicContact CD1-CG1 4.47Å; L208-I212 HydrophobicContact CD2-CD1 4.5Å; L208-I212 HydrophobicContact CG-CD1 3.94Å; L208-I212 HydrophobicContact CG-CG1 4.45Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.29Å; L208-I212 PolarHBondContact O-N 2.96Å; L208-L250 HydrophobicContact CD2-CB 4.19Å; L208-L454 HydrophobicContact CD1-CD2 4.43Å; L208-V456 HydrophobicContact CD1-CG2 4.15Å; L208-V456 HydrophobicContact CD2-CG2 3.93Å
209E74.6Confident68.4Low32 Ų3268.4 Ų68.415%0.1536%0.358CS..Hα-helixtrans-63.8-36.6177.6-50.796.7140.200111.9A190 A194 T207 V213 L250A190-E209 HydrophobicContact CB-CB 4.14Å; A190-E209 WeakPolarHBondContact O-CG 3.1Å; A194-E209 VanDerWaalsContact CA-OE1 3.25Å; A194-E209 WeakPolarHBondContact CA-OE1 3.11Å; A194-E209 HydrophobicContact CB-CG 4.08Å; A194-E209 WeakPolarHBondContact CB-OE1 3.43Å; T207-E209 WeakPolarHBondContact CB-OE2 2.91Å; T207-E209 PolarHBondContact O-N 3.48Å; T207-E209 PolarHBondContact OG1-OE2 3.48Å; E209-V213 WeakPolarHBondContact O-CG2 3.45Å; E209-V213 PolarHBondContact O-N 2.92Å; E209-L250 HydrophobicContact CG-CD1 3.84Å
210E76Confident70.2Confident100 Ų10060.7 Ų60.747%0.46733%0.33SS..Hα-helixtrans-72-38.2173.6-64.6175.6143.800111.9A206 T207 L208 V213 K214A206-E210 VanDerWaalsContact CA-OE2 3.28Å; A206-E210 WeakPolarHBondContact CA-OE2 3.4Å; T207-E210 PolarHBondContact N-OE2 2.68Å; T207-E210 WeakPolarHBondContact O-CB 3.35Å; T207-E210 PolarHBondContact O-N 3.09Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 2.74Å; E210-V213 PolarHBondContact O-N 2.74Å; E210-K214 WeakPolarHBondContact O-CB 3.13Å; E210-K214 PolarHBondContact O-N 2.8Å
211Q80.7Confident72.1Confident20 Ų2054.9 Ų54.99%0.09329%0.294CS..Hα-helixtrans-66.1-47.3178.3-70.5176-36.300112.2A206 T207 L208 V213 K214 T215 V345 M346 N347 L454A206-Q211 HydrophobicContact CB-CG 4.42Å; T207-Q211 WeakPolarHBondContact O-CG 3.31Å; T207-Q211 PolarHBondContact O-N 2.7Å; L208-Q211 PolarHBondContact O-N 2.68Å; Q211-V213 PolarHBondContact O-N 2.72Å; Q211-K214 PolarHBondContact O-N 3.3Å; Q211-T215 WeakPolarHBondContact O-CB 3.18Å; Q211-T215 PolarHBondContact O-N 2.66Å; Q211-T215 PolarHBondContact O-OG1 2.74Å; Q211-V345 HydrophobicContact CG-CG1 4.1Å; Q211-V345 WeakPolarHBondContact CG-O 3.03Å; Q211-V345 PolarHBondContact NE2-O 3.09Å; Q211-V345 VanDerWaalsContact NE2-O 3.14Å; Q211-M346 HydrophobicContact CB-SD 3.77Å; Q211-M346 HydrophobicContact CG-SD 4.23Å; Q211-M346 VanDerWaalsContact O-SD 3.35Å; Q211-N347 PolarHBondContact NE2-ND2 2.67Å; Q211-L454 HydrophobicContact CB-CD2 3.96Å
212I80.1Confident74Confident4 Ų446.2 Ų46.22%0.02126%0.256CS..Hα-helixtrans-55.8-41.5174.8-68.3167.1000110.4I186 L208 N216 L250 D253 L454I186-I212 HydrophobicContact CG2-CG2 3.48Å; I186-I212 VanDerWaalsContact CG2-CG2 3.48Å; L208-I212 HydrophobicContact CD1-CD1 4.38Å; L208-I212 HydrophobicContact CD1-CG1 4.47Å; L208-I212 HydrophobicContact CD2-CD1 4.5Å; L208-I212 HydrophobicContact CG-CD1 3.94Å; L208-I212 HydrophobicContact CG-CG1 4.45Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.29Å; L208-I212 PolarHBondContact O-N 2.96Å; I212-N216 PolarHBondContact O-ND2 3.39Å; I212-L250 HydrophobicContact CD1-CD1 4.5Å; I212-D253 HydrophobicContact CD1-CB 4.39Å; I212-D253 HydrophobicContact CG1-CB 4.15Å; I212-L454 HydrophobicContact CB-CD2 4.49Å; I212-L454 HydrophobicContact CG1-CD2 3.75Å
213V80.8Confident75.8Confident63 Ų6343.6 Ų43.638%0.38224%0.235SC..Hα-helixtrans-69.2-50176.9172.80000111.8I186 A190 E209 E210 Q211 T215 N216I186-V213 HydrophobicContact CG2-CG2 4.49Å; A190-V213 HydrophobicContact CB-CG2 4.19Å; E209-V213 WeakPolarHBondContact O-CG2 3.45Å; E209-V213 PolarHBondContact O-N 2.92Å; E210-V213 PolarHBondContact O-N 2.74Å; Q211-V213 PolarHBondContact O-N 2.72Å; V213-T215 PolarHBondContact O-N 2.68Å; V213-N216 PolarHBondContact O-N 2.72Å
214K83.8Confident77.7Confident54 Ų5440.1 Ų40.124%0.23520%0.199CC..Hα-helixtrans-67.9-17.1-179.3-79.2-78.7-164157.60114E210 Q211 N216 P217 E341 A342 V345E210-K214 WeakPolarHBondContact O-CB 3.13Å; E210-K214 PolarHBondContact O-N 2.8Å; Q211-K214 PolarHBondContact O-N 3.3Å; K214-N216 PolarHBondContact O-N 2.74Å; K214-P217 WeakPolarHBondContact O-CD 3.38Å; K214-E341 IonicContact NZ-OE2 2.68Å; K214-A342 HydrophobicContact CB-CB 4.21Å; K214-A342 HydrophobicContact CD-CB 3.87Å; K214-A342 WeakPolarHBondContact O-CB 3.14Å; K214-V345 HydrophobicContact CB-CB 4.37Å; K214-V345 HydrophobicContact CB-CG1 4.03Å; K214-V345 HydrophobicContact CG-CB 4.26Å; K214-V345 HydrophobicContact CG-CG1 3.98Å; K214-V345 HydrophobicContact CG-CG2 4.44Å
215T84.1Confident79Confident3 Ų330.2 Ų30.22%0.01816%0.156CC..Hα-helixtrans-58.6-31170.6-61.90000112.4Q211 V213 L219 M346 C450 L454Q211-T215 WeakPolarHBondContact O-CB 3.18Å; Q211-T215 PolarHBondContact O-N 2.66Å; Q211-T215 PolarHBondContact O-OG1 2.74Å; V213-T215 PolarHBondContact O-N 2.68Å; T215-L219 HydrophobicContact CG2-CD1 3.61Å; T215-L219 HydrophobicContact CG2-CG 4.16Å; T215-L219 WeakPolarHBondContact O-CB 3.22Å; T215-L219 VanDerWaalsContact O-CG 3.27Å; T215-L219 WeakPolarHBondContact O-CG 3.38Å; T215-L219 PolarHBondContact O-N 2.66Å; T215-M346 HydrophobicContact CG2-CE 4.39Å; T215-M346 WeakPolarHBondContact OG1-CE 3.2Å; T215-M346 PolarHBondContact OG1-SD 3.48Å; T215-C450 HydrophobicContact CG2-CB 4.39Å; T215-L454 HydrophobicContact CG2-CD1 4.2Å
216N82.9Confident80Confident12 Ų1222 Ų226%0.06412%0.121CC..Hα-helixtrans-65.6-53.2-176.6-76-91.4000113.3I212 V213 K214 V218 L219 E220I212-N216 PolarHBondContact O-ND2 3.39Å; V213-N216 PolarHBondContact O-N 2.72Å; K214-N216 PolarHBondContact O-N 2.74Å; N216-V218 PolarHBondContact O-N 3.45Å; N216-L219 CarbonylContact O-C 3.51Å; N216-L219 WeakPolarHBondContact O-CA 3.24Å; N216-L219 WeakPolarHBondContact O-CB 3.09Å; N216-L219 PolarHBondContact O-N 2.69Å; N216-E220 WeakPolarHBondContact O-CG 3.48Å; N216-E220 PolarHBondContact O-N 2.73Å
217P86.2Confident80.6Confident32 Ų3220.1 Ų20.121%0.20811%0.105CC..Hα-helixtrans-46.7-51174.1-32.933.8000115.3K214 L219 E220 A221 I338 A342K214-P217 WeakPolarHBondContact O-CD 3.38Å; P217-L219 PolarHBondContact O-N 2.71Å; P217-E220 PolarHBondContact O-N 3.46Å; P217-E220 VanDerWaalsContact O-N 3.16Å; P217-A221 WeakPolarHBondContact O-CB 2.91Å; P217-A221 PolarHBondContact O-N 2.75Å; P217-I338 HydrophobicContact CB-CG2 4.11Å; P217-I338 HydrophobicContact CG-CG2 4.15Å; P217-A342 HydrophobicContact CB-CB 4.21Å
218V87.7Confident80.7Confident0 Ų022.3 Ų22.30%012%0.118CC..Hα-helixtrans-55-41.1177.3174.80000111.6N216 F222 A342 F343 L446N216-V218 PolarHBondContact O-N 3.45Å; V218-F222 WeakPolarHBondContact O-CD2 3.13Å; V218-F222 PolarHBondContact O-N 2.91Å; V218-A342 HydrophobicContact CG2-CB 3.71Å; V218-F343 HydrophobicContact CG1-CD1 4.24Å; V218-F343 HydrophobicContact CG1-CE1 3.59Å; V218-F343 HydrophobicContact CG1-CE2 4.38Å; V218-F343 HydrophobicContact CG1-CZ 3.67Å; V218-F343 HydrophobicContact CG2-CD1 4.23Å; V218-F343 HydrophobicContact CG2-CD2 4.4Å; V218-F343 HydrophobicContact CG2-CE1 4.35Å; V218-F343 HydrophobicContact CG2-CE2 4.5Å; V218-F343 HydrophobicContact CG2-CG 4.27Å; V218-F343 HydrophobicContact CG2-CZ 4.48Å; V218-L446 HydrophobicContact CG1-CD1 3.86Å; V218-L446 HydrophobicContact CG1-CD2 4.1Å; V218-L446 HydrophobicContact CG1-CG 4.31Å
219L84.5Confident80.5Confident4 Ų424.7 Ų24.72%0.02113%0.126CC..Hα-helixtrans-80.1-22.6-177.6-74.5-177.1000114.7T215 N216 P217 G223 F236 L255 K257 F443 I447T215-L219 HydrophobicContact CG2-CD1 3.61Å; T215-L219 HydrophobicContact CG2-CG 4.16Å; T215-L219 WeakPolarHBondContact O-CB 3.22Å; T215-L219 VanDerWaalsContact O-CG 3.27Å; T215-L219 WeakPolarHBondContact O-CG 3.38Å; T215-L219 PolarHBondContact O-N 2.66Å; N216-L219 CarbonylContact O-C 3.51Å; N216-L219 WeakPolarHBondContact O-CA 3.24Å; N216-L219 WeakPolarHBondContact O-CB 3.09Å; N216-L219 PolarHBondContact O-N 2.69Å; P217-L219 PolarHBondContact O-N 2.71Å; L219-G223 WeakPolarHBondContact O-CA 3.31Å; L219-G223 PolarHBondContact O-N 3.21Å; L219-F236 WeakPolarHBondContact O-CE1 3.08Å; L219-L255 HydrophobicContact CD1-CD1 3.33Å; L219-L255 HydrophobicContact CD1-CD2 3.59Å; L219-L255 HydrophobicContact CD1-CG 4.08Å; L219-L255 HydrophobicContact CD2-CD2 4.04Å; L219-K257 PolarHBondContact O-NZ 2.84Å; L219-F443 HydrophobicContact CD2-CE2 4.44Å; L219-I447 HydrophobicContact CD2-CG1 4.18Å
220E83.9Confident80.4Confident19 Ų1924.9 Ų24.99%0.08913%0.128CC..Hα-helixtrans-83.7-40.3173.6-65.4-165.8167.400111T179 K183 N216 P217 F222 G223 N224 N232T179-E220 WeakPolarHBondContact CG2-OE1 3.24Å; K183-E220 VanDerWaalsContact CE-CD 3.43Å; K183-E220 WeakPolarHBondContact CE-OE1 3.42Å; K183-E220 WeakPolarHBondContact CE-OE2 3.13Å; K183-E220 IonicContact NZ-OE1 3Å; K183-E220 PolarHBondContact NZ-OE1 3.42Å; K183-E220 IonicContact NZ-OE2 2.86Å; K183-E220 PolarHBondContact NZ-OE2 2.64Å; N216-E220 WeakPolarHBondContact O-CG 3.48Å; N216-E220 PolarHBondContact O-N 2.73Å; P217-E220 PolarHBondContact O-N 3.46Å; P217-E220 VanDerWaalsContact O-N 3.16Å; E220-F222 PolarHBondContact O-N 2.8Å; E220-G223 PolarHBondContact O-N 2.74Å; E220-N224 HydrophobicContact CB-CB 4.39Å; E220-N224 WeakPolarHBondContact CG-ND2 3.19Å; E220-N224 WeakPolarHBondContact O-CB 2.73Å; E220-N224 PolarHBondContact O-N 2.64Å; E220-N232 PolarHBondContact OE2-ND2 2.75Å
221A87.5Confident80.5Confident2 Ų221.7 Ų21.72%0.01711%0.114CC..Hα-helixtrans-51.4-53.1172.500000112.2P217 H271 I272 T339P217-A221 WeakPolarHBondContact O-CB 2.91Å; P217-A221 PolarHBondContact O-N 2.75Å; A221-H271 PolarHBondContact O-N 2.74Å; A221-I272 HydrophobicContact CB-CB 4.44Å; A221-I272 WeakPolarHBondContact O-CB 3.41Å; A221-I272 PolarHBondContact O-N 3.04Å; A221-T339 HydrophobicContact CB-CG2 3.76Å
222F87Confident80.4Confident2 Ų223 Ų231%0.00912%0.121CC..THydrogen-bonded Turntrans-83.8-17.3-178.2-78.4-102.5000114.4V218 E220 F270 I272 F343 L356 Y439 F443 L446V218-F222 WeakPolarHBondContact O-CD2 3.13Å; V218-F222 PolarHBondContact O-N 2.91Å; E220-F222 PolarHBondContact O-N 2.8Å; F222-F270 VanDerWaalsContact O-CD1 3.25Å; F222-F270 WeakPolarHBondContact O-CD1 3.28Å; F222-I272 HydrophobicContact CD1-CG2 4.28Å; F222-I272 HydrophobicContact CD2-CB 4.36Å; F222-I272 HydrophobicContact CD2-CD1 4.38Å; F222-I272 HydrophobicContact CD2-CG1 4.17Å; F222-I272 HydrophobicContact CE1-CG1 4.2Å; F222-I272 HydrophobicContact CE2-CB 4.48Å; F222-I272 HydrophobicContact CE2-CD1 3.79Å; F222-I272 HydrophobicContact CE2-CG1 3.79Å; F222-I272 HydrophobicContact CG-CB 4.49Å; F222-I272 HydrophobicContact CG-CG2 4.33Å; F222-I272 HydrophobicContact CZ-CD1 4.13Å; F222-I272 HydrophobicContact CZ-CG1 3.82Å; F222-F343 HydrophobicContact CE2-CE2 4.12Å; F222-F343 AromaticContact CE2-CZ 3.76Å; F222-F343 HydrophobicContact CE2-CZ 3.76Å; F222-F343 HydrophobicContact CZ-CZ 4.35Å; F222-L356 HydrophobicContact CE1-CD2 4.45Å; F222-L356 HydrophobicContact CZ-CB 4.35Å; F222-Y439 WeakPolarHBondContact CA-OH 3.43Å; F222-Y439 WeakPolarHBondContact O-CE1 3.41Å; F222-Y439 PolarHBondContact O-OH 2.8Å; F222-F443 HydrophobicContact CB-CD2 3.79Å; F222-F443 HydrophobicContact CB-CE2 3.81Å; F222-L446 HydrophobicContact CB-CD2 3.98Å; F222-L446 HydrophobicContact CD1-CD2 4.04Å; F222-L446 HydrophobicContact CD2-CD2 3.83Å; F222-L446 HydrophobicContact CE1-CD2 4.48Å; F222-L446 HydrophobicContact CE2-CD2 4.3Å; F222-L446 HydrophobicContact CG-CD2 3.68Å
223G78.3Confident80Confident1 Ų123 Ų231%0.0112%0.122CC..THydrogen-bonded Turntrans-124.1-14.2-167.200000116.6L219 E220 R235 F236L219-G223 WeakPolarHBondContact O-CA 3.31Å; L219-G223 PolarHBondContact O-N 3.21Å; E220-G223 PolarHBondContact O-N 2.74Å; G223-R235 PolarHBondContact O-N 3.31Å; G223-F236 VanDerWaalsContact C-CE1 3.43Å; G223-F236 VanDerWaalsContact O-CD1 3.26Å; G223-F236 WeakPolarHBondContact O-CD1 3.33Å; G223-F236 WeakPolarHBondContact O-CE1 3.25Å
224N82.5Confident79.5Confident0 Ų020.4 Ų20.40%011%0.106CC..EExtended strand (participates in β ladder)trans-101.9155.8176.7-61.813.9000110.7E220 N232 S233 S234 F236 F270 H271E220-N224 HydrophobicContact CB-CB 4.39Å; E220-N224 WeakPolarHBondContact CG-ND2 3.19Å; E220-N224 WeakPolarHBondContact O-CB 2.73Å; E220-N224 PolarHBondContact O-N 2.64Å; N224-N232 WeakPolarHBondContact CB-OD1 2.94Å; N224-N232 PolarHBondContact ND2-OD1 2.88Å; N224-S233 CarbonylContact C-O 3.59Å; N224-S233 VanDerWaalsContact CA-O 3.22Å; N224-S233 WeakPolarHBondContact CA-O 3.44Å; N224-S234 WeakPolarHBondContact OD1-CA 3.25Å; N224-F236 WeakPolarHBondContact OD1-CE1 3.48Å; N224-F236 VanDerWaalsContact OD1-CZ 3.3Å; N224-F236 WeakPolarHBondContact OD1-CZ 3.13Å; N224-F270 VanDerWaalsContact O-CA 3.29Å; N224-F270 WeakPolarHBondContact O-CA 3.09Å; N224-H271 VanDerWaalsContact C-NE2 3.34Å; N224-H271 PolarHBondContact O-CD2 2.75Å; N224-H271 PolarHBondContact O-N 2.79Å; N224-H271 PolarHBondContact O-NE2 3.22Å
225A78Confident78.8Confident4 Ų419 Ų193%0.03310%0.1CC..EExtended strand (participates in β ladder)trans-149160.617800000111.3S233 R235 H271A225-S233 PolarHBondContact N-O 3.32Å; A225-S233 WeakPolarHBondContact O-CA 3.23Å; A225-S233 WeakPolarHBondContact O-CB 3.2Å; A225-S233 PolarHBondContact O-N 2.76Å; A225-R235 HydrophobicContact CB-CG 3.98Å; A225-H271 WeakPolarHBondContact CA-NE2 3.32Å; A225-H271 PolarHBondContact N-NE2 3.44Å
226K78.5Confident78Confident6 Ų619.1 Ų19.13%0.02610%0.1CC..  trans-75129.5172.8-158.7-163.9-170.3178.80109.5N231 E267 R268 E324 T326 I327K226-N231 WeakPolarHBondContact CA-O 3.25Å; K226-E267 WeakPolarHBondContact O-CA 3.48Å; K226-E267 VanDerWaalsContact O-CB 3.29Å; K226-E267 WeakPolarHBondContact O-CB 3.14Å; K226-R268 HydrophobicContact CB-CB 3.37Å; K226-R268 HydrophobicContact CD-CB 4.32Å; K226-R268 HydrophobicContact CG-CB 4.47Å; K226-R268 PolarHBondContact O-N 2.86Å; K226-E324 HydrophobicContact CD-CB 4.46Å; K226-E324 VanDerWaalsContact CD-OE2 3.3Å; K226-E324 WeakPolarHBondContact CD-OE2 3.49Å; K226-E324 WeakPolarHBondContact CE-OE2 2.99Å; K226-E324 IonicContact NZ-OE1 3.83Å; K226-E324 PolarHBondContact NZ-OE1 2.73Å; K226-E324 IonicContact NZ-OE2 2.72Å; K226-E324 PolarHBondContact NZ-OE2 3.08Å; K226-T326 PolarHBondContact NZ-O 3.48Å; K226-I327 HydrophobicContact CB-CD1 4.38Å; K226-I327 HydrophobicContact CB-CG1 4.33Å; K226-I327 HydrophobicContact CD-CG1 4.02Å; K226-I327 HydrophobicContact CG-CG1 4.21Å
227T72Confident77.2Confident0 Ų020.1 Ų20.10%011%0.113CC..  trans-116.2164.6166.574.40000109.9R229 N230 R235 E267T227-R229 PolarHBondContact O-N 2.78Å; T227-N230 PolarHBondContact N-O 2.78Å; T227-N230 CarbonylContact O-C 3.49Å; T227-N230 PolarHBondContact O-N 3.08Å; T227-N230 VanDerWaalsContact O-O 3.09Å; T227-N230 PolarHBondContact OG1-N 3.25Å; T227-N230 PolarHBondContact OG1-O 2.83Å; T227-R235 VanDerWaalsContact CG2-CZ 3.45Å; T227-E267 WeakPolarHBondContact CB-OE1 2.94Å
228V72.9Confident76.5Confident83 Ų8318.8 Ų18.850%0.50310%0.104SC..SBendtrans-51.5-44.4175.7-175.90000111K692V228-K692 WeakPolarHBondContact O-CE 3.1Å; V228-K692 PolarHBondContact O-NZ 3.35Å
229R69Low76.1Confident77 Ų7719.2 Ų19.229%0.29111%0.106SC..SBendtrans-82.4-25.3-179.2-69.1-175.7173.6-124-19.3114.8E173 T227 E690 K692E173-R229 IonicContact OE2-NH1 3.22Å; E173-R229 PolarHBondContact OE2-NH1 2.67Å; T227-R229 PolarHBondContact O-N 2.78Å; R229-E690 IonicContact CZ-OE1 2.75Å; R229-E690 IonicContact NH1-OE1 2.72Å; R229-E690 IonicContact NH2-OE1 3.93Å; R229-E690 PolarHBondContact NH2-OE1 2.98Å; R229-K692 WeakPolarHBondContact O-CE 3.37Å
230N73Confident76.1Confident36 Ų3619.1 Ų19.119%0.19311%0.105CC..  trans-143.1127.3-174.1-17816.3000113.2T227 N232 S233T227-N230 PolarHBondContact N-O 2.78Å; T227-N230 CarbonylContact O-C 3.49Å; T227-N230 PolarHBondContact O-N 3.08Å; T227-N230 VanDerWaalsContact O-O 3.09Å; T227-N230 PolarHBondContact OG1-N 3.25Å; T227-N230 PolarHBondContact OG1-O 2.83Å; N230-N232 PolarHBondContact ND2-O 3.34Å; N230-N232 PolarHBondContact O-N 3.48Å; N230-N232 PolarHBondContact OD1-N 2.88Å; N230-N232 PolarHBondContact OD1-O 2.68Å; N230-S233 WeakPolarHBondContact ND2-CA 3.2Å; N230-S233 VanDerWaalsContact ND2-CB 3.33Å; N230-S233 WeakPolarHBondContact ND2-CB 3.49Å; N230-S233 PolarHBondContact ND2-OG 2.84Å
231N77.8Confident76.1Confident33 Ų3320.2 Ų20.218%0.17611%0.109CC..SBendtrans-71.8-29.6-175.3-75.521.6000114.1K226 I327 D328 K692K226-N231 WeakPolarHBondContact CA-O 3.25Å; N231-I327 HydrophobicContact CB-CG2 3.98Å; N231-D328 PolarHBondContact ND2-O 2.71Å; N231-K692 PolarHBondContact OD1-NZ 3.35Å
232N77.2Confident76Confident47 Ų4720.2 Ų20.225%0.25111%0.108SC..SBendtrans-130.984.7177.3179.93.3000107.5E220 N224 N230E220-N232 PolarHBondContact OE2-ND2 2.75Å; N224-N232 WeakPolarHBondContact CB-OD1 2.94Å; N224-N232 PolarHBondContact ND2-OD1 2.88Å; N230-N232 PolarHBondContact ND2-O 3.34Å; N230-N232 PolarHBondContact O-N 3.48Å; N230-N232 PolarHBondContact OD1-N 2.88Å; N230-N232 PolarHBondContact OD1-O 2.68Å
233S71.9Confident75.9Confident5 Ų521.4 Ų21.44%0.03511%0.113CC..EExtended strand (participates in β ladder)trans-109120.1-171.8-142.50000112.5S174 N224 A225 N230 R235S174-S233 PolarHBondContact OG-OG 3.18Å; N224-S233 CarbonylContact C-O 3.59Å; N224-S233 VanDerWaalsContact CA-O 3.22Å; N224-S233 WeakPolarHBondContact CA-O 3.44Å; A225-S233 PolarHBondContact N-O 3.32Å; A225-S233 WeakPolarHBondContact O-CA 3.23Å; A225-S233 WeakPolarHBondContact O-CB 3.2Å; A225-S233 PolarHBondContact O-N 2.76Å; N230-S233 WeakPolarHBondContact ND2-CA 3.2Å; N230-S233 VanDerWaalsContact ND2-CB 3.33Å; N230-S233 WeakPolarHBondContact ND2-CB 3.49Å; N230-S233 PolarHBondContact ND2-OG 2.84Å; S233-R235 PolarHBondContact O-N 3.14Å; S233-R235 VanDerWaalsContact O-N 3.17Å
234S70.7Confident76.2Confident8 Ų821.3 Ų21.36%0.05611%0.112CC..EExtended strand (participates in β ladder)trans-56.8115.1171.2-176.50000111N224 F236N224-S234 WeakPolarHBondContact OD1-CA 3.25Å; S234-F236 VanDerWaalsContact C-N 3.27Å; S234-F236 WeakPolarHBondContact OG-CD2 3.08Å; S234-F236 WeakPolarHBondContact OG-CE1 2.99Å; S234-F236 WeakPolarHBondContact OG-CE2 3.34Å; S234-F236 WeakPolarHBondContact OG-CZ 3.47Å; S234-F236 PolarHBondContact OG-O 2.79Å
235R70.1Confident76.1Confident25 Ų2522.8 Ų22.89%0.09412%0.12CC..SBendtrans-90.47.7173.8-67.1-56.8-141.8-176.86113.1G223 A225 T227 S233 E267 F270 E474G223-R235 PolarHBondContact O-N 3.31Å; A225-R235 HydrophobicContact CB-CG 3.98Å; T227-R235 VanDerWaalsContact CG2-CZ 3.45Å; S233-R235 PolarHBondContact O-N 3.14Å; S233-R235 VanDerWaalsContact O-N 3.17Å; R235-E267 IonicContact CZ-OE1 2.66Å; R235-E267 IonicContact NH2-OE1 3.66Å; R235-E267 PolarHBondContact NH2-OE1 2.92Å; R235-E267 IonicContact NH2-OE2 3.41Å; R235-E267 PolarHBondContact NH2-OE2 2.96Å; R235-F270 HydrophobicContact CB-CE1 3.92Å; R235-F270 HydrophobicContact CB-CZ 4.24Å; R235-F270 HydrophobicContact CG-CE1 4.36Å; R235-E474 IonicContact NH1-OE2 3.6Å
236F67.5Low75.9Confident6 Ų624.1 Ų24.13%0.02613%0.134CC..SBendtrans-119.9160.6170.856.9-95.5000109.9L219 G223 N224 S234 K238 K257 F443L219-F236 WeakPolarHBondContact O-CE1 3.08Å; G223-F236 VanDerWaalsContact C-CE1 3.43Å; G223-F236 VanDerWaalsContact O-CD1 3.26Å; G223-F236 WeakPolarHBondContact O-CD1 3.33Å; G223-F236 WeakPolarHBondContact O-CE1 3.25Å; N224-F236 WeakPolarHBondContact OD1-CE1 3.48Å; N224-F236 VanDerWaalsContact OD1-CZ 3.3Å; N224-F236 WeakPolarHBondContact OD1-CZ 3.13Å; S234-F236 VanDerWaalsContact C-N 3.27Å; S234-F236 WeakPolarHBondContact OG-CD2 3.08Å; S234-F236 WeakPolarHBondContact OG-CE1 2.99Å; S234-F236 WeakPolarHBondContact OG-CE2 3.34Å; S234-F236 WeakPolarHBondContact OG-CZ 3.47Å; S234-F236 PolarHBondContact OG-O 2.79Å; F236-K238 HydrophobicContact CD2-CB 3.96Å; F236-K238 HydrophobicContact CE2-CB 3.79Å; F236-K238 HydrophobicContact CE2-CD 3.93Å; F236-K238 HydrophobicContact CE2-CG 4.01Å; F236-K257 HydrophobicContact CB-CB 4.09Å; F236-K257 HydrophobicContact CB-CD 4.11Å; F236-K257 HydrophobicContact CB-CG 4.35Å; F236-K257 HydrophobicContact CD1-CD 4.06Å; F236-K257 HydrophobicContact CD2-CD 3.52Å; F236-K257 HydrophobicContact CD2-CG 3.92Å; F236-K257 HydrophobicContact CE1-CD 4.48Å; F236-K257 HydrophobicContact CE2-CD 4.03Å; F236-K257 HydrophobicContact CG-CB 4.45Å; F236-K257 HydrophobicContact CG-CD 3.58Å; F236-K257 HydrophobicContact CG-CG 4.19Å; F236-F443 HydrophobicContact CB-CE1 4.39Å; F236-F443 HydrophobicContact CD1-CE1 4.21Å; F236-F443 AromaticContact CD1-CZ 3.78Å; F236-F443 HydrophobicContact CD1-CZ 3.78Å; F236-F443 HydrophobicContact CE1-CZ 4.3Å; F236-F443 HydrophobicContact CG-CE1 4.45Å; F236-F443 HydrophobicContact CG-CZ 4.35Å
237G65.5Low75.9Confident32 Ų3230.8 Ų30.833%0.3317%0.165SC..  trans-88.7141.2153.800000109.4
238K71.8Confident76Confident4 Ų430.9 Ų30.92%0.01717%0.166CC..EExtended strand (participates in β ladder)trans-118.9131.2170.568.3-178.7-157.6-109.50110.4F236 I240 L255 K257 D469F236-K238 HydrophobicContact CD2-CB 3.96Å; F236-K238 HydrophobicContact CE2-CB 3.79Å; F236-K238 HydrophobicContact CE2-CD 3.93Å; F236-K238 HydrophobicContact CE2-CG 4.01Å; K238-I240 HydrophobicContact CD-CD1 3.75Å; K238-I240 HydrophobicContact CD-CG1 4.47Å; K238-I240 VanDerWaalsContact CE-CD1 3.41Å; K238-I240 HydrophobicContact CG-CD1 4.26Å; K238-L255 HydrophobicContact CB-CD1 4.27Å; K238-K257 HydrophobicContact CB-CG 4.35Å; K238-D469 HydrophobicContact CD-CB 4.42Å; K238-D469 HydrophobicContact CG-CB 3.82Å; K238-D469 PolarHBondContact N-O 2.78Å; K238-D469 IonicContact NZ-OD2 2.66Å; K238-D469 PolarHBondContact NZ-OD2 2.7Å; K238-D469 PolarHBondContact O-N 3.28Å
239F79.6Confident76.1Confident10 Ų1031.3 Ų31.34%0.04416%0.161CC..EExtended strand (participates in β ladder)trans-113.2131.2162.9-173.4-117.2000107.6R241 E256 L468 L671 M674 L675F239-R241 HydrophobicContact CD1-CG 3.85Å; F239-R241 HydrophobicContact CE1-CG 3.48Å; F239-R241 VanDerWaalsContact CE1-CG 3.48Å; F239-R241 HydrophobicContact CZ-CG 4.3Å; F239-E256 PolarHBondContact O-N 2.62Å; F239-L468 HydrophobicContact CB-CD1 4.17Å; F239-L468 HydrophobicContact CD2-CB 3.99Å; F239-L468 HydrophobicContact CD2-CD1 3.81Å; F239-L468 HydrophobicContact CD2-CG 4.5Å; F239-L468 HydrophobicContact CE2-CB 4.4Å; F239-L468 HydrophobicContact CG-CD1 4.41Å; F239-L671 HydrophobicContact CB-CD1 4.17Å; F239-L671 HydrophobicContact CD1-CD1 4.03Å; F239-L671 HydrophobicContact CD2-CD1 3.98Å; F239-L671 HydrophobicContact CE1-CD1 4.39Å; F239-L671 HydrophobicContact CE2-CD1 4.35Å; F239-L671 HydrophobicContact CG-CD1 3.8Å; F239-M674 HydrophobicContact CD1-SD 4.5Å; F239-M674 HydrophobicContact CE1-SD 3.61Å; F239-M674 HydrophobicContact CZ-SD 4.33Å; F239-L675 HydrophobicContact CE2-CD2 4.04Å; F239-L675 HydrophobicContact CZ-CD2 4.48Å
240I83.1Confident76.4Confident2 Ų228.7 Ų28.71%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-122116-169.1-77.5177000107.5T182 I186 K238 I242 D253 L255 G466 V467T182-I240 HydrophobicContact CG2-CD1 4.41Å; I186-I240 HydrophobicContact CD1-CD1 3.72Å; I186-I240 HydrophobicContact CD1-CG2 4.42Å; K238-I240 HydrophobicContact CD-CD1 3.75Å; K238-I240 HydrophobicContact CD-CG1 4.47Å; K238-I240 VanDerWaalsContact CE-CD1 3.41Å; K238-I240 HydrophobicContact CG-CD1 4.26Å; I240-I242 HydrophobicContact CG2-CD1 4.24Å; I240-I242 HydrophobicContact CG2-CG1 3.8Å; I240-D253 WeakPolarHBondContact CG2-OD1 3.31Å; I240-L255 HydrophobicContact CD1-CD1 4.13Å; I240-L255 HydrophobicContact CG1-CD1 3.84Å; I240-G466 CarbonylContact O-C 3.4Å; I240-G466 WeakPolarHBondContact O-CA 3.32Å; I240-V467 HydrophobicContact CB-CB 4.37Å; I240-V467 PolarHBondContact N-O 3.39Å; I240-V467 PolarHBondContact O-N 2.71Å
241R84.8Confident75.5Confident42 Ų4227 Ų2716%0.15814%0.144CC..EExtended strand (participates in β ladder)trans-105.888.2-175.4-72.5-165.3-90.9163.9-16.1110.5F239 Y243 D253 L254 E256 F464F239-R241 HydrophobicContact CD1-CG 3.85Å; F239-R241 HydrophobicContact CE1-CG 3.48Å; F239-R241 VanDerWaalsContact CE1-CG 3.48Å; F239-R241 HydrophobicContact CZ-CG 4.3Å; R241-Y243 HydrophobicContact CB-CE2 3.95Å; R241-Y243 PolarHBondContact NH1-OH 3.24Å; R241-Y243 WeakPolarHBondContact O-CD2 3.23Å; R241-Y243 VanDerWaalsContact O-CE2 3.22Å; R241-Y243 WeakPolarHBondContact O-CE2 3.19Å; R241-Y243 PolarHBondContact O-N 2.63Å; R241-D253 VanDerWaalsContact C-OD1 3.3Å; R241-D253 PolarHBondContact N-OD1 2.61Å; R241-D253 VanDerWaalsContact N-OD1 3.13Å; R241-D253 WeakPolarHBondContact O-CA 3.23Å; R241-L254 HydrophobicContact CB-CB 4.41Å; R241-L254 PolarHBondContact N-O 2.72Å; R241-L254 PolarHBondContact O-N 2.72Å; R241-E256 IonicContact CZ-OE1 2.76Å; R241-E256 IonicContact NE-OE1 3.01Å; R241-E256 IonicContact NH2-OE1 3.82Å; R241-E256 PolarHBondContact NH2-OE1 2.65Å; R241-F464 HydrophobicContact CG-CD2 4.36Å
242I85.4Confident74.2Confident2 Ų225.5 Ų25.51%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-76.8109.5178.8-54.1176.6000108.1I186 F189 I240 F244 L250 F464 I465 V467I186-I242 HydrophobicContact CG1-CD1 4.32Å; F189-I242 HydrophobicContact CB-CD1 4.41Å; F189-I242 HydrophobicContact CD2-CD1 3.53Å; F189-I242 HydrophobicContact CE2-CD1 4.22Å; F189-I242 HydrophobicContact CG-CD1 4.38Å; I240-I242 HydrophobicContact CG2-CD1 4.24Å; I240-I242 HydrophobicContact CG2-CG1 3.8Å; I242-F244 HydrophobicContact CB-CE2 4.12Å; I242-F244 HydrophobicContact CG2-CD2 4.43Å; I242-F244 HydrophobicContact CG2-CE1 4.47Å; I242-F244 HydrophobicContact CG2-CE2 3.62Å; I242-F244 HydrophobicContact CG2-CZ 3.65Å; I242-F244 WeakPolarHBondContact O-CD2 3.43Å; I242-F244 WeakPolarHBondContact O-CE2 3.12Å; I242-L250 HydrophobicContact CG2-CD2 3.27Å; I242-F464 CarbonylContact O-C 3.54Å; I242-F464 WeakPolarHBondContact O-CA 3.29Å; I242-F464 WeakPolarHBondContact O-CB 3.01Å; I242-I465 PolarHBondContact N-O 3.47Å; I242-I465 VanDerWaalsContact N-O 3.12Å; I242-I465 PolarHBondContact O-N 3.23Å; I242-V467 HydrophobicContact CD1-CG2 4.13Å
243Y84.8Confident72.5Confident26 Ų2623.6 Ų23.610%0.10213%0.126CC..EExtended strand (participates in β ladder)trans-86.8142.2-179.5-65.8-83.7000111.8R241 L250 A251 G252 L254 R461 F463 F464R241-Y243 HydrophobicContact CB-CE2 3.95Å; R241-Y243 PolarHBondContact NH1-OH 3.24Å; R241-Y243 WeakPolarHBondContact O-CD2 3.23Å; R241-Y243 VanDerWaalsContact O-CE2 3.22Å; R241-Y243 WeakPolarHBondContact O-CE2 3.19Å; R241-Y243 PolarHBondContact O-N 2.63Å; Y243-L250 WeakPolarHBondContact O-CA 3.34Å; Y243-A251 PolarHBondContact O-N 2.71Å; Y243-G252 PolarHBondContact N-O 2.72Å; Y243-L254 HydrophobicContact CE2-CB 4.02Å; Y243-R461 HydrophobicContact CD1-CB 4.1Å; Y243-R461 HydrophobicContact CD1-CG 4.16Å; Y243-R461 HydrophobicContact CG-CG 4.16Å; Y243-F463 WeakPolarHBondContact CA-O 3.36Å; Y243-F464 HydrophobicContact CD1-CB 3.85Å; Y243-F464 HydrophobicContact CE1-CB 4.08Å; Y243-F464 HydrophobicContact CG-CB 4.45Å
244F84.6Confident70.7Confident0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans-126.1144.4175.7-61.2-91.9000110.8Y156 M159 F189 I242 G248 K249 L250 K462 F463 I465Y156-F244 HydrophobicContact CD2-CE1 4.07Å; Y156-F244 HydrophobicContact CD2-CZ 4.36Å; Y156-F244 HydrophobicContact CE2-CD1 4.11Å; Y156-F244 AromaticContact CE2-CE1 3.93Å; Y156-F244 HydrophobicContact CE2-CE1 3.93Å; M159-F244 HydrophobicContact CE-CB 3.78Å; M159-F244 HydrophobicContact CE-CD1 4.09Å; M159-F244 HydrophobicContact CE-CD2 3.7Å; M159-F244 HydrophobicContact CE-CE2 4.26Å; M159-F244 HydrophobicContact CE-CG 3.59Å; M159-F244 HydrophobicContact SD-CB 4.09Å; M159-F244 HydrophobicContact SD-CD2 3.49Å; M159-F244 WeakPolarHBondContact SD-CD2 3.06Å; M159-F244 HydrophobicContact SD-CE2 4.12Å; M159-F244 HydrophobicContact SD-CG 3.95Å; F189-F244 HydrophobicContact CB-CZ 4.24Å; F189-F244 HydrophobicContact CD1-CZ 4.1Å; F189-F244 HydrophobicContact CG-CZ 4.16Å; I242-F244 HydrophobicContact CB-CE2 4.12Å; I242-F244 HydrophobicContact CG2-CD2 4.43Å; I242-F244 HydrophobicContact CG2-CE1 4.47Å; I242-F244 HydrophobicContact CG2-CE2 3.62Å; I242-F244 HydrophobicContact CG2-CZ 3.65Å; I242-F244 WeakPolarHBondContact O-CD2 3.43Å; I242-F244 WeakPolarHBondContact O-CE2 3.12Å; F244-G248 WeakPolarHBondContact CD1-O 3.42Å; F244-K249 CarbonylContact C-O 3.46Å; F244-K249 VanDerWaalsContact CA-O 3.31Å; F244-K249 WeakPolarHBondContact CA-O 2.93Å; F244-L250 HydrophobicContact CD1-CD2 4.19Å; F244-L250 HydrophobicContact CE1-CD2 3.69Å; F244-L250 HydrophobicContact CE1-CG 4.28Å; F244-L250 HydrophobicContact CZ-CD2 3.98Å; F244-K462 PolarHBondContact O-N 2.67Å; F244-K462 VanDerWaalsContact O-N 3.17Å; F244-F463 PolarHBondContact N-O 2.69Å; F244-F463 PolarHBondContact O-N 2.63Å; F244-F463 VanDerWaalsContact O-N 3.11Å; F244-I465 HydrophobicContact CD2-CG1 4.25Å; F244-I465 HydrophobicContact CE2-CB 4.1Å; F244-I465 HydrophobicContact CE2-CD1 3.73Å; F244-I465 HydrophobicContact CE2-CG1 3.69Å; F244-I465 HydrophobicContact CZ-CD1 4.15Å
245N80.1Confident69.3Low30 Ų3025.1 Ų25.116%0.1613%0.133CC..  trans-84.4174171.37118.9000112.3H247 G248 K249 D460N245-H247 PolarHBondContact O-N 2.78Å; N245-H247 WeakPolarHBondContact OD1-CA 3.39Å; N245-H247 PolarHBondContact OD1-N 2.73Å; N245-G248 PolarHBondContact O-N 2.71Å; N245-G248 PolarHBondContact OD1-N 2.73Å; N245-K249 PolarHBondContact N-O 2.78Å; N245-K249 PolarHBondContact OD1-N 2.8Å; N245-K249 VanDerWaalsContact OD1-N 3.1Å; N245-D460 WeakPolarHBondContact CA-O 3.41Å; N245-D460 WeakPolarHBondContact CB-O 3.12Å
246G74.4Confident67.5Low33 Ų3327.7 Ų27.734%0.3415%0.146SC..THydrogen-bonded Turntrans-61.84.2178.900000116.3
247H77.4Confident66.2Low146 Ų14628.9 Ų28.968%0.67615%0.151SC*.THydrogen-bonded Turntrans-119.711172.7-57.4-50.4000113.1N245 K249N245-H247 PolarHBondContact O-N 2.78Å; N245-H247 WeakPolarHBondContact OD1-CA 3.39Å; N245-H247 PolarHBondContact OD1-N 2.73Å; H247-K249 VanDerWaalsContact C-N 3.31Å; H247-K249 PolarHBondContact O-N 3.26Å
248G74.1Confident64.7Low1 Ų130.8 Ų30.81%0.0116%0.159CC..SBendtrans75.212179.700000115.2Y156 M160 F244 N245Y156-G248 WeakPolarHBondContact OH-CA 3.05Å; Y156-G248 PolarHBondContact OH-O 2.86Å; Y156-G248 VanDerWaalsContact OH-O 3.13Å; M160-G248 VanDerWaalsContact SD-CA 3.58Å; F244-G248 WeakPolarHBondContact CD1-O 3.42Å; N245-G248 PolarHBondContact O-N 2.71Å; N245-G248 PolarHBondContact OD1-N 2.73Å
249K76.2Confident63.4Low93 Ų9332.2 Ų32.240%0.40416%0.164SC..  trans-89.6148.4176.2-55.5172.8-177.6173.10110.5T195 F244 N245 H247T195-K249 HydrophobicContact CG2-CD 3.84Å; F244-K249 CarbonylContact C-O 3.46Å; F244-K249 VanDerWaalsContact CA-O 3.31Å; F244-K249 WeakPolarHBondContact CA-O 2.93Å; N245-K249 PolarHBondContact N-O 2.78Å; N245-K249 PolarHBondContact OD1-N 2.8Å; N245-K249 VanDerWaalsContact OD1-N 3.1Å; H247-K249 VanDerWaalsContact C-N 3.31Å; H247-K249 PolarHBondContact O-N 3.26Å
250L73.8Confident61.3Low22 Ų2233.1 Ų33.112%0.11517%0.17CC..EExtended strand (participates in β ladder)trans-61.9136.3178.6-69.1163.4000111.9L208 E209 I212 I242 Y243 F244L208-L250 HydrophobicContact CD2-CB 4.19Å; E209-L250 HydrophobicContact CG-CD1 3.84Å; I212-L250 HydrophobicContact CD1-CD1 4.5Å; I242-L250 HydrophobicContact CG2-CD2 3.27Å; Y243-L250 WeakPolarHBondContact O-CA 3.34Å; F244-L250 HydrophobicContact CD1-CD2 4.19Å; F244-L250 HydrophobicContact CE1-CD2 3.69Å; F244-L250 HydrophobicContact CE1-CG 4.28Å; F244-L250 HydrophobicContact CZ-CD2 3.98Å
251A55.5Low59.4Low1 Ų134.6 Ų34.61%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-124.1-1.2-176.800000113.6Y243 A459 R461Y243-A251 PolarHBondContact O-N 2.71Å; A251-A459 HydrophobicContact CB-CB 3.79Å; A251-R461 HydrophobicContact CB-CG 4.18Å
252G49Very low57.5Low0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans143.2177.7175.800000112.7Y243 L454Y243-G252 PolarHBondContact N-O 2.72Å; G252-L454 WeakPolarHBondContact CA-O 3.05Å
253D42.6Very low56.1Low8 Ų841.4 Ų41.44%0.04321%0.209CC..  trans-137.4148.6171.1-176.721.5000109.8I212 I240 R241 L454I212-D253 HydrophobicContact CD1-CB 4.39Å; I212-D253 HydrophobicContact CG1-CB 4.15Å; I240-D253 WeakPolarHBondContact CG2-OD1 3.31Å; R241-D253 VanDerWaalsContact C-OD1 3.3Å; R241-D253 PolarHBondContact N-OD1 2.61Å; R241-D253 VanDerWaalsContact N-OD1 3.13Å; R241-D253 WeakPolarHBondContact O-CA 3.23Å; D253-L454 HydrophobicContact CB-CB 4.44Å; D253-L454 HydrophobicContact CB-CD1 4.25Å; D253-L454 WeakPolarHBondContact O-CB 3.1Å
254L33.1Very low54.9Low42 Ų4242.2 Ų42.222%0.2222%0.222CC..  trans-134.2124.9173.9-161.990.5000110.5R241 Y243 N451R241-L254 HydrophobicContact CB-CB 4.41Å; R241-L254 PolarHBondContact N-O 2.72Å; R241-L254 PolarHBondContact O-N 2.72Å; Y243-L254 HydrophobicContact CE2-CB 4.02Å; L254-N451 HydrophobicContact CD1-CB 3.75Å
255L41.1Very low53.6Low3 Ų348 Ų482%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-113.8134.3-175.4174.5128.3000111.6L219 K238 I240 K257 I447 N451L219-L255 HydrophobicContact CD1-CD1 3.33Å; L219-L255 HydrophobicContact CD1-CD2 3.59Å; L219-L255 HydrophobicContact CD1-CG 4.08Å; L219-L255 HydrophobicContact CD2-CD2 4.04Å; K238-L255 HydrophobicContact CB-CD1 4.27Å; I240-L255 HydrophobicContact CD1-CD1 4.13Å; I240-L255 HydrophobicContact CG1-CD1 3.84Å; L255-K257 HydrophobicContact CD2-CD 4.02Å; L255-K257 HydrophobicContact CD2-CG 3.98Å; L255-K257 HydrophobicContact CG-CG 4.4Å; L255-I447 HydrophobicContact CD2-CB 4.26Å; L255-I447 HydrophobicContact CD2-CG1 3.82Å; L255-I447 HydrophobicContact CD2-CG2 3.74Å; L255-I447 WeakPolarHBondContact O-CG2 3.46Å; L255-N451 PolarHBondContact N-OD1 2.79Å; L255-N451 PolarHBondContact O-ND2 2.73Å
256E32.6Very low53.1Low79 Ų7948 Ų4837%0.36927%0.266SS..EExtended strand (participates in β ladder)trans-123.1138.3177.7-72.2172.3-138.500111.6F239 R241F239-E256 PolarHBondContact O-N 2.62Å; R241-E256 IonicContact CZ-OE1 2.76Å; R241-E256 IonicContact NE-OE1 3.01Å; R241-E256 IonicContact NH2-OE1 3.82Å; R241-E256 PolarHBondContact NH2-OE1 2.65Å
257K41.1Very low53.1Low31 Ų3146.7 Ų46.714%0.13525%0.251CS..  trans-159.3156.9178-48.9177.2165.6-168.70112.9L219 F236 K238 L255 F443 I447L219-K257 PolarHBondContact O-NZ 2.84Å; F236-K257 HydrophobicContact CB-CB 4.09Å; F236-K257 HydrophobicContact CB-CD 4.11Å; F236-K257 HydrophobicContact CB-CG 4.35Å; F236-K257 HydrophobicContact CD1-CD 4.06Å; F236-K257 HydrophobicContact CD2-CD 3.52Å; F236-K257 HydrophobicContact CD2-CG 3.92Å; F236-K257 HydrophobicContact CE1-CD 4.48Å; F236-K257 HydrophobicContact CE2-CD 4.03Å; F236-K257 HydrophobicContact CG-CB 4.45Å; F236-K257 HydrophobicContact CG-CD 3.58Å; F236-K257 HydrophobicContact CG-CG 4.19Å; K238-K257 HydrophobicContact CB-CG 4.35Å; L255-K257 HydrophobicContact CD2-CD 4.02Å; L255-K257 HydrophobicContact CD2-CG 3.98Å; L255-K257 HydrophobicContact CG-CG 4.4Å; K257-F443 HydrophobicContact CB-CE1 4.12Å; K257-F443 HydrophobicContact CD-CE1 3.61Å; K257-F443 HydrophobicContact CD-CZ 3.51Å; K257-I447 HydrophobicContact CB-CD1 3.67Å; K257-I447 HydrophobicContact CD-CD1 3.85Å; K257-I447 HydrophobicContact CD-CG1 4.28Å; K257-I447 HydrophobicContact CG-CD1 3.97Å
258S33.6Very low53.1Low71 Ų7140 Ų4050%0.49722%0.22SC..  trans-161.4147.6139.570.40000112.1
259R44.6Very low53.2Low35 Ų3540.5 Ų40.513%0.13222%0.223CC..  trans171.7153.2134.7-165.2163-174.8154.80.2109.5I261 E482 Y664R259-I261 HydrophobicContact CG-CD1 4.16Å; R259-I261 HydrophobicContact CG-CG1 3.86Å; R259-E482 IonicContact CZ-OE1 2.6Å; R259-E482 IonicContact NE-OE1 2.9Å; R259-E482 IonicContact NH2-OE1 3.57Å; R259-E482 PolarHBondContact NH2-OE1 2.67Å; R259-Y664 WeakPolarHBondContact CD-OH 3.37Å; R259-Y664 WeakPolarHBondContact CG-OH 3.1Å; R259-Y664 VanDerWaalsContact NH1-CE2 3.28Å
260V34.6Very low53.6Low28 Ų2836.6 Ų36.617%0.1721%0.206CC..  trans-134.5131.5176.8-172.60000108.1F270 Y439 A440V260-F270 HydrophobicContact CG1-CE2 3.85Å; V260-F270 HydrophobicContact CG1-CZ 4.19Å; V260-Y439 HydrophobicContact CB-CD1 4.46Å; V260-Y439 HydrophobicContact CG1-CD1 3.81Å; V260-Y439 HydrophobicContact CG1-CG 4.33Å; V260-Y439 HydrophobicContact CG2-CD1 3.71Å; V260-A440 HydrophobicContact CG2-CB 3.65Å
261I44.3Very low54.2Low33 Ų3335.6 Ų35.617%0.16920%0.201CC..  trans-136.9145.5-165-53173.8000110.8R259 E482R259-I261 HydrophobicContact CG-CD1 4.16Å; R259-I261 HydrophobicContact CG-CG1 3.86Å; I261-E482 HydrophobicContact CB-CG 4.49Å; I261-E482 HydrophobicContact CD1-CB 4.16Å; I261-E482 HydrophobicContact CD1-CG 3.73Å; I261-E482 HydrophobicContact CG1-CG 3.92Å; I261-E482 HydrophobicContact CG2-CG 3.73Å
262K44.6Very low55.8Low153 Ų15335.5 Ų35.567%0.66520%0.2SC*.PPolyproline II helixtrans-71.7140.2172.2-174.8-175.4178.8-173.60110.6
263Q55.4Low57.5Low34 Ų3436 Ų3616%0.15920%0.202CC..PPolyproline II helixtrans-71.8148.8-175.7-4483.6-7.600112.2E267 C269 L319Q263-E267 HydrophobicContact CB-CB 4.38Å; Q263-C269 HydrophobicContact CG-CB 4.32Å; Q263-C269 PolarHBondContact NE2-SG 2.86Å; Q263-L319 PolarHBondContact NE2-O 3.26Å
264A59.5Low59.7Low44 Ų4435.7 Ų35.736%0.36420%0.2SC..PPolyproline II helixtrans-93.2164.7165.800000111.8G266 E267A264-G266 PolarHBondContact O-N 2.68Å; A264-E267 HydrophobicContact CB-CG 3.99Å; A264-E267 PolarHBondContact N-OE2 2.62Å; A264-E267 WeakPolarHBondContact O-CB 3.4Å; A264-E267 PolarHBondContact O-N 3.36Å
265P58.8Low62.3Low120 Ų12033.8 Ų33.878%0.77919%0.19SC*.THydrogen-bonded Turntrans-59.3133.9171.2-22.834.7000111.5
266G68.9Low64.3Low30 Ų3033.9 Ų33.931%0.30919%0.191SC..THydrogen-bonded Turntrans80.715.9-174.200000114.8A264A264-G266 PolarHBondContact O-N 2.68Å
267E73.7Confident66.5Low7 Ų730.6 Ų30.63%0.03318%0.176CC..  trans-111.1177.3172-57.9-160135.300112K226 T227 R235 Q263 A264 A323 E324K226-E267 WeakPolarHBondContact O-CA 3.48Å; K226-E267 VanDerWaalsContact O-CB 3.29Å; K226-E267 WeakPolarHBondContact O-CB 3.14Å; T227-E267 WeakPolarHBondContact CB-OE1 2.94Å; R235-E267 IonicContact CZ-OE1 2.66Å; R235-E267 IonicContact NH2-OE1 3.66Å; R235-E267 PolarHBondContact NH2-OE1 2.92Å; R235-E267 IonicContact NH2-OE2 3.41Å; R235-E267 PolarHBondContact NH2-OE2 2.96Å; Q263-E267 HydrophobicContact CB-CB 4.38Å; A264-E267 HydrophobicContact CB-CG 3.99Å; A264-E267 PolarHBondContact N-OE2 2.62Å; A264-E267 WeakPolarHBondContact O-CB 3.4Å; A264-E267 PolarHBondContact O-N 3.36Å; E267-A323 WeakPolarHBondContact O-CB 2.89Å; E267-E324 PolarHBondContact O-N 2.65Å
268R78.1Confident68.3Low5 Ų531 Ų312%0.01918%0.183CC..  trans-125.2157169.1-168.4168.4114.3162.7-6109.2K226 H271 Y274 E324 V325 I327 D332K226-R268 HydrophobicContact CB-CB 3.37Å; K226-R268 HydrophobicContact CD-CB 4.32Å; K226-R268 HydrophobicContact CG-CB 4.47Å; K226-R268 PolarHBondContact O-N 2.86Å; R268-H271 PolarHBondContact NH2-ND1 2.67Å; R268-Y274 HydrophobicContact CG-CD2 4.18Å; R268-Y274 HydrophobicContact CG-CE1 3.84Å; R268-Y274 HydrophobicContact CG-CE2 3.41Å; R268-Y274 VanDerWaalsContact CG-CE2 3.41Å; R268-Y274 VanDerWaalsContact CG-OH 3.24Å; R268-Y274 WeakPolarHBondContact CG-OH 3.17Å; R268-Y274 VanDerWaalsContact CZ-CG 3.43Å; R268-Y274 VanDerWaalsContact NE-CD2 3.32Å; R268-E324 VanDerWaalsContact CG-O 3.3Å; R268-E324 WeakPolarHBondContact CG-O 3.31Å; R268-V325 WeakPolarHBondContact CD-O 3.21Å; R268-V325 PolarHBondContact NH1-O 3.33Å; R268-I327 VanDerWaalsContact CZ-CD1 3.45Å; R268-D332 IonicContact CZ-OD1 3.75Å; R268-D332 IonicContact CZ-OD2 2.72Å; R268-D332 IonicContact NH1-OD1 2.77Å; R268-D332 PolarHBondContact NH1-OD1 3.38Å; R268-D332 IonicContact NH1-OD2 2.86Å; R268-D332 PolarHBondContact NH1-OD2 2.8Å; R268-D332 IonicContact NH2-OD1 3.2Å; R268-D332 PolarHBondContact NH2-OD1 2.83Å; R268-D332 IonicContact NH2-OD2 2.74Å; R268-D332 PolarHBondContact NH2-OD2 2.73Å
269C76.8Confident69.8Low11 Ų1130.8 Ų30.87%0.07418%0.18CC..  trans-69.8178168.9-159.90000111.3Q263 F273 Y274 I320Q263-C269 HydrophobicContact CG-CB 4.32Å; Q263-C269 PolarHBondContact NE2-SG 2.86Å; C269-F273 HydrophobicContact CB-CD2 4.4Å; C269-F273 VanDerWaalsContact SG-CD2 3.56Å; C269-Y274 HydrophobicContact CB-CE2 3.73Å; C269-Y274 VanDerWaalsContact CB-OH 3.31Å; C269-Y274 WeakPolarHBondContact CB-OH 2.9Å; C269-Y274 PolarHBondContact N-OH 2.97Å; C269-I320 HydrophobicContact CB-CG1 4.33Å
270F83.3Confident71.3Confident11 Ų1134.8 Ų34.85%0.04820%0.195CC..BIsolated β-bridgetrans-53.8140.7175.4-63.7-87.6000112.2F222 N224 R235 V260 I272 F273 Y274 Y439F222-F270 VanDerWaalsContact O-CD1 3.25Å; F222-F270 WeakPolarHBondContact O-CD1 3.28Å; N224-F270 VanDerWaalsContact O-CA 3.29Å; N224-F270 WeakPolarHBondContact O-CA 3.09Å; R235-F270 HydrophobicContact CB-CE1 3.92Å; R235-F270 HydrophobicContact CB-CZ 4.24Å; R235-F270 HydrophobicContact CG-CE1 4.36Å; V260-F270 HydrophobicContact CG1-CE2 3.85Å; V260-F270 HydrophobicContact CG1-CZ 4.19Å; F270-I272 VanDerWaalsContact C-N 3.3Å; F270-I272 HydrophobicContact CB-CG2 4.39Å; F270-I272 PolarHBondContact O-N 3.24Å; F270-F273 HydrophobicContact CB-CD2 4.02Å; F270-F273 HydrophobicContact CB-CE2 4.16Å; F270-F273 HydrophobicContact CD2-CE2 4.3Å; F270-F273 PolarHBondContact O-N 2.79Å; F270-Y274 WeakPolarHBondContact O-CD2 3.45Å; F270-Y439 VanDerWaalsContact CB-OH 3.27Å; F270-Y439 WeakPolarHBondContact CB-OH 3Å; F270-Y439 HydrophobicContact CD1-CE1 4.33Å; F270-Y439 HydrophobicContact CD2-CE1 4.01Å; F270-Y439 HydrophobicContact CE1-CE1 4.44Å; F270-Y439 HydrophobicContact CE2-CE1 4.17Å; F270-Y439 HydrophobicContact CG-CE1 4.11Å; F270-Y439 AromaticContact CG-CZ 3.97Å; F270-Y439 WeakPolarHBondContact CG-OH 3.48Å; F270-Y439 HydrophobicContact CZ-CE1 4.37Å
271H87.8Confident73.1Confident1 Ų135.1 Ų35.11%0.00520%0.196CC..THydrogen-bonded Turntrans-61.3-35-168.3-57.4-77.2000113.5A221 N224 A225 R268 F273 Y274 Q275 I327A221-H271 PolarHBondContact O-N 2.74Å; N224-H271 VanDerWaalsContact C-NE2 3.34Å; N224-H271 PolarHBondContact O-CD2 2.75Å; N224-H271 PolarHBondContact O-N 2.79Å; N224-H271 PolarHBondContact O-NE2 3.22Å; A225-H271 WeakPolarHBondContact CA-NE2 3.32Å; A225-H271 PolarHBondContact N-NE2 3.44Å; R268-H271 PolarHBondContact NH2-ND1 2.67Å; H271-F273 PolarHBondContact O-N 3.48Å; H271-F273 VanDerWaalsContact O-N 3.12Å; H271-Y274 PolarHBondContact O-N 2.81Å; H271-Q275 WeakPolarHBondContact O-CG 3.36Å; H271-Q275 PolarHBondContact O-N 2.74Å; H271-I327 WeakPolarHBondContact CE1-CD1 2.95Å; H271-I327 VanDerWaalsContact ND1-CD1 3.33Å; H271-I327 WeakPolarHBondContact ND1-CD1 3.16Å
272I87.9Confident74Confident0 Ų039.5 Ų39.50%023%0.227CC..Hα-helixtrans-51.9-36180-172.961.4000114A221 F222 F270 Y274 Q275 L276 M336 Y357 Y439A221-I272 HydrophobicContact CB-CB 4.44Å; A221-I272 WeakPolarHBondContact O-CB 3.41Å; A221-I272 PolarHBondContact O-N 3.04Å; F222-I272 HydrophobicContact CD1-CG2 4.28Å; F222-I272 HydrophobicContact CD2-CB 4.36Å; F222-I272 HydrophobicContact CD2-CD1 4.38Å; F222-I272 HydrophobicContact CD2-CG1 4.17Å; F222-I272 HydrophobicContact CE1-CG1 4.2Å; F222-I272 HydrophobicContact CE2-CB 4.48Å; F222-I272 HydrophobicContact CE2-CD1 3.79Å; F222-I272 HydrophobicContact CE2-CG1 3.79Å; F222-I272 HydrophobicContact CG-CB 4.49Å; F222-I272 HydrophobicContact CG-CG2 4.33Å; F222-I272 HydrophobicContact CZ-CD1 4.13Å; F222-I272 HydrophobicContact CZ-CG1 3.82Å; F270-I272 VanDerWaalsContact C-N 3.3Å; F270-I272 HydrophobicContact CB-CG2 4.39Å; F270-I272 PolarHBondContact O-N 3.24Å; I272-Y274 PolarHBondContact O-N 2.96Å; I272-Q275 PolarHBondContact O-N 2.64Å; I272-L276 HydrophobicContact CD1-CD1 4.18Å; I272-L276 HydrophobicContact CD1-CG 4.03Å; I272-L276 HydrophobicContact CG1-CD1 3.93Å; I272-L276 HydrophobicContact CG1-CG 4.28Å; I272-L276 WeakPolarHBondContact O-CB 3.21Å; I272-L276 WeakPolarHBondContact O-CG 3.06Å; I272-L276 PolarHBondContact O-N 2.71Å; I272-M336 HydrophobicContact CD1-SD 4.3Å; I272-Y357 HydrophobicContact CD1-CE1 4.47Å; I272-Y439 HydrophobicContact CG2-CE2 4.34Å; I272-Y439 VanDerWaalsContact CG2-OH 3.31Å; I272-Y439 WeakPolarHBondContact CG2-OH 3.03Å
273F86.2Confident74.8Confident9 Ų934 Ų344%0.03921%0.213CC..Hα-helixtrans-65.9-24.7179.1-68.3-69.2000113.7C269 F270 H271 M277 I320 C360 I363 M364 Y439C269-F273 HydrophobicContact CB-CD2 4.4Å; C269-F273 VanDerWaalsContact SG-CD2 3.56Å; F270-F273 HydrophobicContact CB-CD2 4.02Å; F270-F273 HydrophobicContact CB-CE2 4.16Å; F270-F273 HydrophobicContact CD2-CE2 4.3Å; F270-F273 PolarHBondContact O-N 2.79Å; H271-F273 PolarHBondContact O-N 3.48Å; H271-F273 VanDerWaalsContact O-N 3.12Å; F273-M277 WeakPolarHBondContact O-CG 3.4Å; F273-I320 HydrophobicContact CB-CD1 3.82Å; F273-I320 HydrophobicContact CB-CG1 4.27Å; F273-I320 HydrophobicContact CD1-CD1 3.82Å; F273-I320 HydrophobicContact CG-CD1 3.88Å; F273-I320 HydrophobicContact CG-CG1 4.33Å; F273-C360 HydrophobicContact CE1-CB 4.37Å; F273-I363 HydrophobicContact CE1-CB 4.46Å; F273-I363 HydrophobicContact CE1-CG2 4.27Å; F273-I363 HydrophobicContact CZ-CG2 4.21Å; F273-M364 HydrophobicContact CD1-CG 3.83Å; F273-M364 HydrophobicContact CD1-SD 4.09Å; F273-M364 HydrophobicContact CE1-CG 4.17Å; F273-Y439 HydrophobicContact CE1-CE2 4.33Å; F273-Y439 HydrophobicContact CE2-CD2 4.09Å; F273-Y439 AromaticContact CE2-CE2 3.47Å; F273-Y439 HydrophobicContact CE2-CE2 3.47Å; F273-Y439 VanDerWaalsContact CE2-CE2 3.47Å; F273-Y439 AromaticContact CZ-CD2 3.62Å; F273-Y439 HydrophobicContact CZ-CD2 3.62Å; F273-Y439 AromaticContact CZ-CE2 3.36Å; F273-Y439 HydrophobicContact CZ-CE2 3.36Å
274Y86.8Confident75.3Confident2 Ų233.1 Ų33.11%0.00821%0.209CC..Hα-helixtrans-97.2-38179-52.5-99.7000110.5R268 C269 F270 H271 I272 L276 M277 S278 I314 I320 V325 D332R268-Y274 HydrophobicContact CG-CD2 4.18Å; R268-Y274 HydrophobicContact CG-CE1 3.84Å; R268-Y274 HydrophobicContact CG-CE2 3.41Å; R268-Y274 VanDerWaalsContact CG-CE2 3.41Å; R268-Y274 VanDerWaalsContact CG-OH 3.24Å; R268-Y274 WeakPolarHBondContact CG-OH 3.17Å; R268-Y274 VanDerWaalsContact CZ-CG 3.43Å; R268-Y274 VanDerWaalsContact NE-CD2 3.32Å; C269-Y274 HydrophobicContact CB-CE2 3.73Å; C269-Y274 VanDerWaalsContact CB-OH 3.31Å; C269-Y274 WeakPolarHBondContact CB-OH 2.9Å; C269-Y274 PolarHBondContact N-OH 2.97Å; F270-Y274 WeakPolarHBondContact O-CD2 3.45Å; H271-Y274 PolarHBondContact O-N 2.81Å; I272-Y274 PolarHBondContact O-N 2.96Å; Y274-L276 PolarHBondContact O-N 3.4Å; Y274-M277 CarbonylContact O-C 3.55Å; Y274-M277 WeakPolarHBondContact O-CA 3.24Å; Y274-M277 WeakPolarHBondContact O-CB 3.27Å; Y274-M277 PolarHBondContact O-N 3.28Å; Y274-S278 PolarHBondContact O-N 2.7Å; Y274-S278 VanDerWaalsContact O-N 3.1Å; Y274-I314 HydrophobicContact CD1-CG2 4.11Å; Y274-I314 HydrophobicContact CE1-CG2 4.07Å; Y274-I320 HydrophobicContact CD1-CG2 4.41Å; Y274-I320 HydrophobicContact CE1-CG2 3.61Å; Y274-I320 HydrophobicContact CE2-CG2 4.3Å; Y274-I320 WeakPolarHBondContact OH-CG2 3.5Å; Y274-I320 PolarHBondContact OH-O 3.31Å; Y274-V325 HydrophobicContact CD1-CG1 4.18Å; Y274-V325 HydrophobicContact CE1-CG1 4.22Å; Y274-D332 WeakPolarHBondContact CB-OD2 2.77Å
275Q87.9Confident75Confident2 Ų233.2 Ų33.21%0.00920%0.202CC..Hα-helixtrans-54.7-47.9170.7-70.6172.2-21.500111.4H271 I272 M277 S278 E335 M336H271-Q275 WeakPolarHBondContact O-CG 3.36Å; H271-Q275 PolarHBondContact O-N 2.74Å; I272-Q275 PolarHBondContact O-N 2.64Å; Q275-M277 PolarHBondContact O-N 3.29Å; Q275-S278 VanDerWaalsContact O-CB 3.26Å; Q275-S278 WeakPolarHBondContact O-CB 2.9Å; Q275-S278 PolarHBondContact O-N 2.79Å; Q275-S278 PolarHBondContact O-OG 2.82Å; Q275-E335 HydrophobicContact CG-CB 4.29Å; Q275-M336 VanDerWaalsContact C-SD 3.53Å; Q275-M336 HydrophobicContact CB-CB 3.84Å; Q275-M336 HydrophobicContact CB-CG 4.26Å; Q275-M336 HydrophobicContact CB-SD 3.6Å; Q275-M336 HydrophobicContact CG-CB 4.47Å; Q275-M336 WeakPolarHBondContact O-CG 2.85Å
276L83.8Confident74.3Confident6 Ų629.1 Ų29.13%0.03118%0.181CC..G310 helixtrans-60.8-31173.5-77.4168000113.2I272 Y274 S278 L284 L308 M336 Y357 C360I272-L276 HydrophobicContact CD1-CD1 4.18Å; I272-L276 HydrophobicContact CD1-CG 4.03Å; I272-L276 HydrophobicContact CG1-CD1 3.93Å; I272-L276 HydrophobicContact CG1-CG 4.28Å; I272-L276 WeakPolarHBondContact O-CB 3.21Å; I272-L276 WeakPolarHBondContact O-CG 3.06Å; I272-L276 PolarHBondContact O-N 2.71Å; Y274-L276 PolarHBondContact O-N 3.4Å; L276-S278 VanDerWaalsContact C-N 3.34Å; L276-L284 HydrophobicContact CD2-CD1 4.24Å; L276-L308 HydrophobicContact CD2-CD1 4.41Å; L276-M336 HydrophobicContact CD2-CE 3.66Å; L276-M336 HydrophobicContact CD2-SD 4.31Å; L276-M336 HydrophobicContact CG-CE 4.31Å; L276-M336 HydrophobicContact CG-SD 4.37Å; L276-Y357 HydrophobicContact CD1-CD1 4.49Å; L276-Y357 HydrophobicContact CD2-CD1 3.73Å; L276-Y357 HydrophobicContact CD2-CD2 4.44Å; L276-Y357 HydrophobicContact CD2-CE1 4.32Å; L276-Y357 HydrophobicContact CD2-CG 3.8Å; L276-C360 HydrophobicContact CD1-CB 3.59Å
277M79.9Confident73Confident9 Ų931 Ų314%0.04419%0.194CC..G310 helixtrans-80.9-12.8-179.7-71.6-67.8-83.900113.8F273 Y274 Q275 C279 K285 L310 K312 I314 Y317 M364F273-M277 WeakPolarHBondContact O-CG 3.4Å; Y274-M277 CarbonylContact O-C 3.55Å; Y274-M277 WeakPolarHBondContact O-CA 3.24Å; Y274-M277 WeakPolarHBondContact O-CB 3.27Å; Y274-M277 PolarHBondContact O-N 3.28Å; Q275-M277 PolarHBondContact O-N 3.29Å; M277-C279 VanDerWaalsContact C-N 3.26Å; M277-C279 PolarHBondContact O-N 2.74Å; M277-K285 PolarHBondContact O-NZ 2.67Å; M277-L310 HydrophobicContact SD-CB 3.87Å; M277-L310 HydrophobicContact SD-CD1 3.94Å; M277-L310 HydrophobicContact SD-CD2 4.5Å; M277-L310 HydrophobicContact SD-CG 4.33Å; M277-K312 VanDerWaalsContact CE-O 3.26Å; M277-K312 WeakPolarHBondContact CE-O 2.95Å; M277-I314 HydrophobicContact CB-CD1 3.78Å; M277-I314 HydrophobicContact CB-CG1 3.81Å; M277-I314 HydrophobicContact CE-CB 4.47Å; M277-I314 HydrophobicContact CE-CG1 3.68Å; M277-I314 HydrophobicContact CG-CD1 4.49Å; M277-I314 HydrophobicContact CG-CG1 4.07Å; M277-Y317 HydrophobicContact CE-CD2 4.22Å; M277-Y317 HydrophobicContact CE-CE2 3.71Å; M277-M364 HydrophobicContact CE-CE 4.27Å; M277-M364 HydrophobicContact CG-CE 3.95Å; M277-M364 HydrophobicContact SD-CE 3.9Å
278S77.3Confident71.2Confident40 Ų4037.6 Ų37.628%0.2824%0.235SC..G310 helixtrans-67.6-16.2-177.9730000115.5Y274 Q275 L276 R280Y274-S278 PolarHBondContact O-N 2.7Å; Y274-S278 VanDerWaalsContact O-N 3.1Å; Q275-S278 VanDerWaalsContact O-CB 3.26Å; Q275-S278 WeakPolarHBondContact O-CB 2.9Å; Q275-S278 PolarHBondContact O-N 2.79Å; Q275-S278 PolarHBondContact O-OG 2.82Å; L276-S278 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact O-N 3.45Å; S278-R280 PolarHBondContact OG-N 2.74Å
279C66.4Low68.9Low66 Ų6641.8 Ų41.845%0.44627%0.271SS..  trans64.311.4-175.5-45.40000116M277 I281 K285M277-C279 VanDerWaalsContact C-N 3.26Å; M277-C279 PolarHBondContact O-N 2.74Å; C279-I281 VanDerWaalsContact C-N 3.31Å; C279-I281 PolarHBondContact O-N 3.5Å; C279-K285 WeakPolarHBondContact SG-CD 3.13Å
280R75.1Confident66.9Low119 Ų11949.1 Ų49.145%0.44931%0.307SS..  trans-62.5-32.9-174.8-174.563.2166.5-134.7-10.2114.3S278 G333 Q337S278-R280 PolarHBondContact O-N 3.45Å; S278-R280 PolarHBondContact OG-N 2.74Å; R280-G333 WeakPolarHBondContact CB-O 3.47Å; R280-G333 WeakPolarHBondContact CG-O 3.19Å; R280-Q337 HydrophobicContact CG-CB 4.07Å
281I73.2Confident64.3Low35 Ų3553.2 Ų53.218%0.17934%0.343CS..SBendtrans-94.3120.9-178.6-57.2177.7000109.9C279 G283 L284 M336 D340C279-I281 VanDerWaalsContact C-N 3.31Å; C279-I281 PolarHBondContact O-N 3.5Å; I281-G283 PolarHBondContact O-N 3.47Å; I281-L284 HydrophobicContact CB-CD1 3.9Å; I281-L284 HydrophobicContact CB-CG 4.27Å; I281-L284 HydrophobicContact CD1-CD1 4.16Å; I281-L284 HydrophobicContact CG2-CD1 4.06Å; I281-L284 HydrophobicContact CG2-CG 4.12Å; I281-M336 HydrophobicContact CD1-CE 3.53Å; I281-M336 HydrophobicContact CD1-CG 3.86Å; I281-M336 HydrophobicContact CG1-CG 4.17Å; I281-D340 HydrophobicContact CD1-CB 3.47Å; I281-D340 VanDerWaalsContact CD1-CB 3.47Å
282P63.3Low61.8Low126 Ų12658.8 Ų58.882%0.81838%0.382SS*.THydrogen-bonded Turntrans-59.6136178.5-24.834.9000113.1
283G61.6Low59.1Low37 Ų3763.4 Ų63.438%0.38142%0.421SS..THydrogen-bonded Turntrans89-4.2172.100000116.7I281I281-G283 PolarHBondContact O-N 3.47Å
284L65.4Low56.7Low15 Ų1571.9 Ų71.98%0.07946%0.458CS..SBendtrans-80.4-24.2174.5-66.3-173.2000113.8L276 I281 L308 M336 Y357L276-L284 HydrophobicContact CD2-CD1 4.24Å; I281-L284 HydrophobicContact CB-CD1 3.9Å; I281-L284 HydrophobicContact CB-CG 4.27Å; I281-L284 HydrophobicContact CD1-CD1 4.16Å; I281-L284 HydrophobicContact CG2-CD1 4.06Å; I281-L284 HydrophobicContact CG2-CG 4.12Å; L284-L308 HydrophobicContact CB-CD1 4.07Å; L284-L308 HydrophobicContact CD2-CD1 4.37Å; L284-L308 WeakPolarHBondContact O-CB 2.9Å; L284-L308 WeakPolarHBondContact O-CG 3.34Å; L284-M336 HydrophobicContact CD1-CE 4.23Å; L284-Y357 HydrophobicContact CD1-CD2 4.04Å; L284-Y357 HydrophobicContact CD1-CE2 4.21Å; L284-Y357 HydrophobicContact CD2-CD2 4.11Å
285K53.3Low54.3Low46 Ų4677.5 Ų77.520%0.249%0.492CS..SBendtrans-143.4133.6-170.5-159.3-169.8-164.1-176.10111.6M277 C279 A287 L310M277-K285 PolarHBondContact O-NZ 2.67Å; C279-K285 WeakPolarHBondContact SG-CD 3.13Å; K285-A287 PolarHBondContact O-N 3.15Å; K285-L310 WeakPolarHBondContact CE-O 3.15Å; K285-L310 HydrophobicContact CG-CB 4.25Å
286G42.9Very low52Low34 Ų3482.1 Ų82.135%0.35152%0.52SS..  trans-77.1103.5175.300000111.3
287A42.2Very low50.1Low71 Ų7188.3 Ų88.359%0.58755%0.554SS**  trans-120.6130.7176.500000111.1K285K285-A287 PolarHBondContact O-N 3.15Å
288T36.1Very low48Very low145 Ų14596 Ų9689%0.8960%0.595SS**  trans-76.1142.8178.548.50000112.3
289A29.8Very low46.2Very low93 Ų9398.3 Ų98.377%0.76961%0.611SS**  trans73.5137.3-170.500000113.8
290I34.3Very low44.4Very low164 Ų164101.5 Ų101.584%0.84163%0.628SS**  cis-120.7149.612.5-62.9169.4000110.5
291A29.2Very low42.3Very low97 Ų97101 Ų10180%0.80264%0.638SS**  trans-91.2127.4-179.600000113.6
292S34.8Very low40.3Very low118 Ų118108.4 Ų108.483%0.82567%0.669SS**  trans-149.568.8164.248.20000110.6F294S292-F294 PolarHBondContact O-N 3.02Å
293A32.3Very low38.8Very low98 Ų98107.1 Ų107.181%0.8166%0.663SS**PPolyproline II helixtrans-68.6119.1-179.400000111.8
294F34.2Very low37.6Very low187 Ų187114.4 Ų114.482%0.8268%0.681SS**PPolyproline II helixtrans-99.3119.5163.4-167.9-100.7000108.4S292 V296S292-F294 PolarHBondContact O-N 3.02Å; F294-V296 HydrophobicContact CD1-CG2 3.76Å; F294-V296 HydrophobicContact CE1-CG2 3.6Å
295V36.6Very low36.4Very low120 Ų120115.9 Ų115.973%0.72770%0.695SS**PPolyproline II helixtrans-94.5127.9-175.6178.40000109.8
296V40.3Very low36.4Very low99 Ų99120.1 Ų120.160%0.672%0.716SS**  trans-131.5127.9167.9-175.80000108.1F294F294-V296 HydrophobicContact CD1-CG2 3.76Å; F294-V296 HydrophobicContact CE1-CG2 3.6Å
297D43.3Very low37.5Very low136 Ų136122.4 Ų122.473%0.72772%0.716SS**SBendtrans42.169166.5-61.6-14.4000118.7S299D297-S299 PolarHBondContact O-N 3.38Å; D297-S299 PolarHBondContact O-OG 3.13Å
298N36.9Very low39Very low170 Ų170119.2 Ų119.291%0.90969%0.689SS**SBendtrans46.317.2138.6-86.2-5.1000120.5
299S39Very low40.9Very low89 Ų89115.1 Ų115.162%0.62266%0.659SS**  trans-107.5122.2176.951.40000110.6D297 V301D297-S299 PolarHBondContact O-N 3.38Å; D297-S299 PolarHBondContact O-OG 3.13Å; S299-V301 VanDerWaalsContact C-N 3.34Å; S299-V301 PolarHBondContact O-N 3.47Å
300V29Very low43Very low133 Ų133110.7 Ų110.781%0.80662%0.622SS**  trans-8084.5178.8-176.90000109.3F302V300-F302 HydrophobicContact CG1-CD2 4.36Å; V300-F302 HydrophobicContact CG1-CE2 4.23Å
301V31.5Very low44.6Very low108 Ų108107.6 Ų107.666%0.65561%0.607SS**  trans-89.8109.6170.8-176.80000108.5S299 S303S299-V301 VanDerWaalsContact C-N 3.34Å; S299-V301 PolarHBondContact O-N 3.47Å; V301-S303 PolarHBondContact O-N 2.93Å
302F30.2Very low46.7Very low191 Ų191105.8 Ų105.884%0.83858%0.581SS**  trans-60.6121.6168.3-87-101.2000108.8V300V300-F302 HydrophobicContact CG1-CD2 4.36Å; V300-F302 HydrophobicContact CG1-CE2 4.23Å
303S32.3Very low48.4Very low99 Ų99106.3 Ų106.369%0.69257%0.571SS**  trans-85.1150.2-165.856.20000113.3V301 A305V301-S303 PolarHBondContact O-N 2.93Å; S303-A305 PolarHBondContact O-N 3.39Å
304Y36Very low50.6Low190 Ų190103.4 Ų103.475%0.74554%0.541SS*.SBendtrans-70.230.1-170.6-78.8-103.4000115.6E306Y304-E306 PolarHBondContact O-N 2.81Å
305A39.3Very low52.7Low46 Ų46103.7 Ų103.738%0.3854%0.537SS..THydrogen-bonded Turntrans-84.8-6.4-164.400000116.4S303S303-A305 PolarHBondContact O-N 3.39Å
306E54Low54.7Low135 Ų135103.2 Ų103.263%0.63153%0.526SS*.THydrogen-bonded Turntrans-109.812-168.6-59.9-165.8140.900115.3Y304 L308 F309Y304-E306 PolarHBondContact O-N 2.81Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.04Å; E306-F309 PolarHBondContact O-N 2.85Å
307K65.7Low56.5Low81 Ų8198.5 Ų98.535%0.35250%0.498SS..THydrogen-bonded Turntrans-46.2-37.4-164.1-78.9-169.3175.9-172.20117.9D354K307-D354 IonicContact NZ-OD1 2.88Å; K307-D354 IonicContact NZ-OD2 3.49Å; K307-D354 PolarHBondContact NZ-OD2 2.91Å
308L74.7Confident58.1Low5 Ų598.7 Ų98.73%0.02649%0.492CS..THydrogen-bonded Turntrans-115-2.2-171.6-58.9-179.2000115.7L276 L284 E306 L310 K358 A361 L394L276-L308 HydrophobicContact CD2-CD1 4.41Å; L284-L308 HydrophobicContact CB-CD1 4.07Å; L284-L308 HydrophobicContact CD2-CD1 4.37Å; L284-L308 WeakPolarHBondContact O-CB 2.9Å; L284-L308 WeakPolarHBondContact O-CG 3.34Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.04Å; L308-L310 HydrophobicContact CB-CD1 4.22Å; L308-L310 HydrophobicContact CB-CG 4.08Å; L308-L310 HydrophobicContact CD1-CD1 4.38Å; L308-L310 PolarHBondContact O-N 3.48Å; L308-K358 HydrophobicContact CD2-CB 4.47Å; L308-K358 HydrophobicContact CD2-CG 3.99Å; L308-A361 HydrophobicContact CB-CB 4.18Å; L308-A361 HydrophobicContact CD2-CB 4.31Å; L308-L394 HydrophobicContact CD2-CD2 4.31Å
309F75.5Confident59.7Low58 Ų5893.2 Ų93.225%0.25446%0.463SS..  trans5510.5-178.4-52.8-71.1000117.6E306 N311 M390 L394E306-F309 PolarHBondContact O-N 2.85Å; F309-N311 PolarHBondContact O-N 3.26Å; F309-M390 HydrophobicContact CB-CG 4.29Å; F309-M390 HydrophobicContact CB-SD 4.03Å; F309-M390 HydrophobicContact CG-CG 4.44Å; F309-L394 HydrophobicContact CD2-CD1 4.49Å; F309-L394 HydrophobicContact CD2-CD2 4.1Å; F309-L394 HydrophobicContact CD2-CG 4.2Å; F309-L394 HydrophobicContact CE2-CD2 4.41Å
310L74.5Confident61.4Low1 Ų189.3 Ų89.31%0.00544%0.435CS..  trans-73.148.5-175.2-65.7178.9000114.7M277 K285 L308 K312 A361 M364M277-L310 HydrophobicContact SD-CB 3.87Å; M277-L310 HydrophobicContact SD-CD1 3.94Å; M277-L310 HydrophobicContact SD-CD2 4.5Å; M277-L310 HydrophobicContact SD-CG 4.33Å; K285-L310 WeakPolarHBondContact CE-O 3.15Å; K285-L310 HydrophobicContact CG-CB 4.25Å; L308-L310 HydrophobicContact CB-CD1 4.22Å; L308-L310 HydrophobicContact CB-CG 4.08Å; L308-L310 HydrophobicContact CD1-CD1 4.38Å; L308-L310 PolarHBondContact O-N 3.48Å; L310-K312 VanDerWaalsContact C-N 3.31Å; L310-K312 PolarHBondContact O-N 2.8Å; L310-A361 HydrophobicContact CD1-CB 4.08Å; L310-A361 HydrophobicContact CD2-CB 3.93Å; L310-A361 HydrophobicContact CG-CB 4.04Å; L310-M364 HydrophobicContact CD1-SD 4.19Å; L310-M364 HydrophobicContact CD2-CB 4.28Å; L310-M364 HydrophobicContact CD2-CE 3.94Å; L310-M364 HydrophobicContact CD2-SD 3.71Å
311N67.8Low63.3Low99 Ų9984.7 Ų84.753%0.52941%0.409SS..  trans-83.61.3-167.8-61.7-5.2000114.3F309F309-N311 PolarHBondContact O-N 3.26Å
312K72Confident64.9Low58 Ų5884.2 Ų84.225%0.25240%0.399SS..SBendtrans-94.6161.3-179.5-58.8171.6178.8174.60112M277 L310 H316 Y317 E387M277-K312 VanDerWaalsContact CE-O 3.26Å; M277-K312 WeakPolarHBondContact CE-O 2.95Å; L310-K312 VanDerWaalsContact C-N 3.31Å; L310-K312 PolarHBondContact O-N 2.8Å; K312-H316 HydrophobicContact CB-CB 4.07Å; K312-H316 HydrophobicContact CD-CB 4.3Å; K312-Y317 HydrophobicContact CB-CE2 3.77Å; K312-Y317 HydrophobicContact CD-CE1 4.28Å; K312-Y317 HydrophobicContact CD-CE2 4.45Å; K312-E387 IonicContact NZ-OE1 2.63Å; K312-E387 PolarHBondContact NZ-OE1 3.08Å; K312-E387 IonicContact NZ-OE2 3.4Å; K312-E387 PolarHBondContact NZ-OE2 3.48Å
313E71.8Confident66.6Low130 Ų13076.9 Ų76.961%0.60737%0.374SS*.  trans-65.6149.8166.1-71-169-166.500111.8R315 H316E313-R315 PolarHBondContact O-N 3.43Å; E313-R315 VanDerWaalsContact O-N 3.09Å; E313-H316 WeakPolarHBondContact O-CB 3.02Å; E313-H316 PolarHBondContact O-N 3.06Å
314I77Confident68.6Low37 Ų3775.5 Ų75.519%0.1936%0.356CS..G310 helixtrans-54.4-34.5179.3-57.3174.8000111.7Y274 M277 H316 Y317 I320 V325Y274-I314 HydrophobicContact CD1-CG2 4.11Å; Y274-I314 HydrophobicContact CE1-CG2 4.07Å; M277-I314 HydrophobicContact CB-CD1 3.78Å; M277-I314 HydrophobicContact CB-CG1 3.81Å; M277-I314 HydrophobicContact CE-CB 4.47Å; M277-I314 HydrophobicContact CE-CG1 3.68Å; M277-I314 HydrophobicContact CG-CD1 4.49Å; M277-I314 HydrophobicContact CG-CG1 4.07Å; I314-H316 PolarHBondContact O-N 3.43Å; I314-Y317 PolarHBondContact O-N 3.1Å; I314-I320 HydrophobicContact CG2-CG2 3.79Å; I314-V325 HydrophobicContact CB-CG1 4.37Å; I314-V325 HydrophobicContact CD1-CG1 4.18Å; I314-V325 HydrophobicContact CG2-CG1 3.97Å
315R78.9Confident70.5Confident192 Ų19268.2 Ų68.273%0.72533%0.332SS*.G310 helixtrans-60.7-24.4178.7-68.7179.9174.2-170.6-1.7113.6E313 Y317 S321E313-R315 PolarHBondContact O-N 3.43Å; E313-R315 VanDerWaalsContact O-N 3.09Å; R315-Y317 VanDerWaalsContact C-N 3.31Å; R315-Y317 PolarHBondContact O-N 2.79Å; R315-S321 VanDerWaalsContact O-CB 3.24Å; R315-S321 WeakPolarHBondContact O-CB 3.36Å; R315-S321 PolarHBondContact O-OG 2.71Å
316H79.2Confident72.5Confident110 Ų11070.8 Ų70.851%0.50934%0.343SS..G310 helixtrans-83.5-0.3-177.5-67.9-145.3000113.6K312 E313 I314K312-H316 HydrophobicContact CB-CB 4.07Å; K312-H316 HydrophobicContact CD-CB 4.3Å; E313-H316 WeakPolarHBondContact O-CB 3.02Å; E313-H316 PolarHBondContact O-N 3.06Å; I314-H316 PolarHBondContact O-N 3.43Å
317Y77.5Confident73.8Confident1 Ų165.1 Ų65.10%0.00432%0.317CS..  trans-10697.3177.2-66.1-80.4000110.8M277 K312 I314 R315 L319 I320 S321 M364 E368M277-Y317 HydrophobicContact CE-CD2 4.22Å; M277-Y317 HydrophobicContact CE-CE2 3.71Å; K312-Y317 HydrophobicContact CB-CE2 3.77Å; K312-Y317 HydrophobicContact CD-CE1 4.28Å; K312-Y317 HydrophobicContact CD-CE2 4.45Å; I314-Y317 PolarHBondContact O-N 3.1Å; R315-Y317 VanDerWaalsContact C-N 3.31Å; R315-Y317 PolarHBondContact O-N 2.79Å; Y317-L319 PolarHBondContact O-N 2.95Å; Y317-L319 VanDerWaalsContact O-N 3.08Å; Y317-I320 WeakPolarHBondContact O-CA 3.31Å; Y317-I320 PolarHBondContact O-N 2.76Å; Y317-S321 PolarHBondContact O-N 3.42Å; Y317-S321 PolarHBondContact O-OG 3.48Å; Y317-S321 VanDerWaalsContact O-OG 3.11Å; Y317-M364 HydrophobicContact CD1-CB 3.77Å; Y317-M364 HydrophobicContact CD1-CE 4.1Å; Y317-M364 WeakPolarHBondContact CD1-O 3.3Å; Y317-M364 HydrophobicContact CD2-CE 3.6Å; Y317-M364 HydrophobicContact CE1-CB 3.87Å; Y317-M364 HydrophobicContact CE1-CE 4.19Å; Y317-M364 HydrophobicContact CE2-CE 3.72Å; Y317-M364 HydrophobicContact CG-CB 4.43Å; Y317-M364 HydrophobicContact CG-CE 3.79Å; Y317-E368 HydrophobicContact CD1-CG 4.32Å
318K76.3Confident74.3Confident140 Ų14067 Ų6761%0.60933%0.331SS*.THydrogen-bonded Turntrans-58-21.4-173.5-178.4-177.3174.3-169.90115I320 Q322 E368K318-I320 VanDerWaalsContact C-N 3.3Å; K318-Q322 WeakPolarHBondContact O-CG 3.13Å; K318-Q322 PolarHBondContact O-NE2 2.93Å; K318-E368 WeakPolarHBondContact CB-OE1 3.02Å; K318-E368 PolarHBondContact N-OE1 2.97Å
319L72.3Confident74.2Confident54 Ų5471.2 Ų71.228%0.28338%0.375SS..THydrogen-bonded Turntrans-79-9.9172.1-77.1179.5000114Q263 Y317 C435Q263-L319 PolarHBondContact NE2-O 3.26Å; Y317-L319 PolarHBondContact O-N 2.95Å; Y317-L319 VanDerWaalsContact O-N 3.08Å; L319-C435 HydrophobicContact CD1-CB 4.42Å
320I73.6Confident74.4Confident7 Ų770.2 Ų70.24%0.03637%0.372CS..THydrogen-bonded Turntrans-125.8-28.7-169.7-74.7160.7000111.6C269 F273 Y274 I314 Y317 K318 M364C269-I320 HydrophobicContact CB-CG1 4.33Å; F273-I320 HydrophobicContact CB-CD1 3.82Å; F273-I320 HydrophobicContact CB-CG1 4.27Å; F273-I320 HydrophobicContact CD1-CD1 3.82Å; F273-I320 HydrophobicContact CG-CD1 3.88Å; F273-I320 HydrophobicContact CG-CG1 4.33Å; Y274-I320 HydrophobicContact CD1-CG2 4.41Å; Y274-I320 HydrophobicContact CE1-CG2 3.61Å; Y274-I320 HydrophobicContact CE2-CG2 4.3Å; Y274-I320 WeakPolarHBondContact OH-CG2 3.5Å; Y274-I320 PolarHBondContact OH-O 3.31Å; I314-I320 HydrophobicContact CG2-CG2 3.79Å; Y317-I320 WeakPolarHBondContact O-CA 3.31Å; Y317-I320 PolarHBondContact O-N 2.76Å; K318-I320 VanDerWaalsContact C-N 3.3Å; I320-M364 HydrophobicContact CD1-CB 4.39Å; I320-M364 HydrophobicContact CD1-CE 3.78Å; I320-M364 HydrophobicContact CD1-CG 3.59Å; I320-M364 HydrophobicContact CD1-SD 4.03Å
321S69Low74.9Confident37 Ų3774.5 Ų74.526%0.25939%0.394SS..  trans-93.310-174.7640000116R315 Y317 A323R315-S321 VanDerWaalsContact O-CB 3.24Å; R315-S321 WeakPolarHBondContact O-CB 3.36Å; R315-S321 PolarHBondContact O-OG 2.71Å; Y317-S321 PolarHBondContact O-N 3.42Å; Y317-S321 PolarHBondContact O-OG 3.48Å; Y317-S321 VanDerWaalsContact O-OG 3.11Å; S321-A323 PolarHBondContact O-N 3.03Å
322Q64.8Low75.8Confident97 Ų9771 Ų7145%0.45338%0.376SS..SBendtrans-69.1-15.3-173.7-55.3-163.97.300115K318K318-Q322 WeakPolarHBondContact O-CG 3.13Å; K318-Q322 PolarHBondContact O-NE2 2.93Å
323A65.8Low76.5Confident37 Ų3768.6 Ų68.631%0.30637%0.367SS..SBendtrans-148.7-117.7-177.700000110.7E267 S321E267-A323 WeakPolarHBondContact O-CB 2.89Å; S321-A323 PolarHBondContact O-N 3.03Å
324E74.9Confident77.2Confident70 Ų7067.7 Ų67.733%0.32736%0.363SS..  trans-89.5142.9-174.1-63.9-169.195.700112.8K226 E267 R268K226-E324 HydrophobicContact CD-CB 4.46Å; K226-E324 VanDerWaalsContact CD-OE2 3.3Å; K226-E324 WeakPolarHBondContact CD-OE2 3.49Å; K226-E324 WeakPolarHBondContact CE-OE2 2.99Å; K226-E324 IonicContact NZ-OE1 3.83Å; K226-E324 PolarHBondContact NZ-OE1 2.73Å; K226-E324 IonicContact NZ-OE2 2.72Å; K226-E324 PolarHBondContact NZ-OE2 3.08Å; E267-E324 PolarHBondContact O-N 2.65Å; R268-E324 VanDerWaalsContact CG-O 3.3Å; R268-E324 WeakPolarHBondContact CG-O 3.31Å
325V76.6Confident77.7Confident38 Ų3868.9 Ų68.923%0.2337%0.368CS..  trans-102.9-30.2177.3-179.70000111.8R268 Y274 I314R268-V325 WeakPolarHBondContact CD-O 3.21Å; R268-V325 PolarHBondContact NH1-O 3.33Å; Y274-V325 HydrophobicContact CD1-CG1 4.18Å; Y274-V325 HydrophobicContact CE1-CG1 4.22Å; I314-V325 HydrophobicContact CB-CG1 4.37Å; I314-V325 HydrophobicContact CD1-CG1 4.18Å; I314-V325 HydrophobicContact CG2-CG1 3.97Å
326T79.7Confident78.2Confident100 Ų10059.8 Ų59.861%0.61333%0.334SS*.  trans-108.5153.5-174.448.10000112.9K226K226-T326 PolarHBondContact NZ-O 3.48Å
327I81.7Confident78.7Confident15 Ų1557.9 Ų57.98%0.07733%0.325CS..  trans-121.6131.3175.8-65.1171.2000108.7K226 N231 R268 H271 G329 M330K226-I327 HydrophobicContact CB-CD1 4.38Å; K226-I327 HydrophobicContact CB-CG1 4.33Å; K226-I327 HydrophobicContact CD-CG1 4.02Å; K226-I327 HydrophobicContact CG-CG1 4.21Å; N231-I327 HydrophobicContact CB-CG2 3.98Å; R268-I327 VanDerWaalsContact CZ-CD1 3.45Å; H271-I327 WeakPolarHBondContact CE1-CD1 2.95Å; H271-I327 VanDerWaalsContact ND1-CD1 3.33Å; H271-I327 WeakPolarHBondContact ND1-CD1 3.16Å; I327-G329 PolarHBondContact O-N 3.03Å; I327-M330 HydrophobicContact CB-CB 4.17Å; I327-M330 HydrophobicContact CD1-SD 3.93Å; I327-M330 HydrophobicContact CG2-CB 3.81Å; I327-M330 HydrophobicContact CG2-SD 4.39Å
328D76.7Confident79.3Confident122 Ų12260.9 Ų60.965%0.65234%0.34SS*.THydrogen-bonded Turntrans-70.6119.5175.3-49.5-63.6000109.9N231N231-D328 PolarHBondContact ND2-O 2.71Å
329G73.5Confident79.9Confident92 Ų9254.2 Ų54.295%0.94831%0.311SS*.THydrogen-bonded Turntrans88.515.117600000116.4I327I327-G329 PolarHBondContact O-N 3.03Å
330M79.1Confident80.8Confident38 Ų3852.9 Ų52.919%0.18730%0.304CS..  trans-138.5125.8179.5-172.4179.1-169.800110I327 E335I327-M330 HydrophobicContact CB-CB 4.17Å; I327-M330 HydrophobicContact CD1-SD 3.93Å; I327-M330 HydrophobicContact CG2-CB 3.81Å; I327-M330 HydrophobicContact CG2-SD 4.39Å; M330-E335 HydrophobicContact CE-CB 4.25Å; M330-E335 HydrophobicContact CE-CG 3.63Å; M330-E335 HydrophobicContact CG-CG 3.86Å
331D85.5Confident81.5Confident90 Ų9056.4 Ų56.448%0.48132%0.321SS..  trans-98.4116.2171.8-178.39.1000110.1G333 E334 E335D331-G333 PolarHBondContact O-N 2.68Å; D331-G333 VanDerWaalsContact O-N 3.16Å; D331-G333 PolarHBondContact OD1-N 2.7Å; D331-E334 HydrophobicContact CB-CG 4.39Å; D331-E334 PolarHBondContact O-N 2.75Å; D331-E335 WeakPolarHBondContact O-CB 3.15Å; D331-E335 VanDerWaalsContact O-CG 3.25Å; D331-E335 WeakPolarHBondContact O-CG 3.37Å; D331-E335 PolarHBondContact O-N 2.62Å
332D86.7Confident82.5Confident26 Ų2654.6 Ų54.614%0.13931%0.308CS..Hα-helixtrans-59.7-23.1176.4-69.9-43.7000113R268 Y274 M336R268-D332 IonicContact CZ-OD1 3.75Å; R268-D332 IonicContact CZ-OD2 2.72Å; R268-D332 IonicContact NH1-OD1 2.77Å; R268-D332 PolarHBondContact NH1-OD1 3.38Å; R268-D332 IonicContact NH1-OD2 2.86Å; R268-D332 PolarHBondContact NH1-OD2 2.8Å; R268-D332 IonicContact NH2-OD1 3.2Å; R268-D332 PolarHBondContact NH2-OD1 2.83Å; R268-D332 IonicContact NH2-OD2 2.74Å; R268-D332 PolarHBondContact NH2-OD2 2.73Å; Y274-D332 WeakPolarHBondContact CB-OD2 2.77Å; D332-M336 WeakPolarHBondContact O-CB 3.23Å; D332-M336 PolarHBondContact O-N 2.72Å; D332-M336 VanDerWaalsContact O-N 3.11Å
333G85Confident83.7Confident7 Ų750 Ų507%0.07229%0.287CS..Hα-helixtrans-69-55.9173.700000113R280 D331 E335 M336 Q337R280-G333 WeakPolarHBondContact CB-O 3.47Å; R280-G333 WeakPolarHBondContact CG-O 3.19Å; D331-G333 PolarHBondContact O-N 2.68Å; D331-G333 VanDerWaalsContact O-N 3.16Å; D331-G333 PolarHBondContact OD1-N 2.7Å; G333-E335 VanDerWaalsContact C-N 3.32Å; G333-E335 PolarHBondContact O-N 3.28Å; G333-M336 PolarHBondContact O-N 3.2Å; G333-Q337 PolarHBondContact O-N 2.65Å
334E87.2Confident84.8Confident112 Ų11252.4 Ų52.452%0.52329%0.294SS..Hα-helixtrans-63.9-39.1178.6-61.4-165.8145.600111.6D331 M336 Q337 I338D331-E334 HydrophobicContact CB-CG 4.39Å; D331-E334 PolarHBondContact O-N 2.75Å; E334-M336 PolarHBondContact O-N 2.81Å; E334-Q337 WeakPolarHBondContact O-CB 2.9Å; E334-Q337 PolarHBondContact O-N 3.5Å; E334-Q337 VanDerWaalsContact O-N 3.16Å; E334-I338 WeakPolarHBondContact O-CG1 3.45Å; E334-I338 PolarHBondContact O-N 2.77Å
335E87.8Confident85.4Confident61 Ų6150.9 Ų50.929%0.28529%0.29SS..Hα-helixtrans-66.6-33.6177.9-68.8-76150.400112.9Q275 M330 D331 G333 T339Q275-E335 HydrophobicContact CG-CB 4.29Å; M330-E335 HydrophobicContact CE-CB 4.25Å; M330-E335 HydrophobicContact CE-CG 3.63Å; M330-E335 HydrophobicContact CG-CG 3.86Å; D331-E335 WeakPolarHBondContact O-CB 3.15Å; D331-E335 VanDerWaalsContact O-CG 3.25Å; D331-E335 WeakPolarHBondContact O-CG 3.37Å; D331-E335 PolarHBondContact O-N 2.62Å; G333-E335 VanDerWaalsContact C-N 3.32Å; G333-E335 PolarHBondContact O-N 3.28Å; E335-T339 WeakPolarHBondContact O-CB 3.12Å; E335-T339 PolarHBondContact O-N 2.65Å; E335-T339 PolarHBondContact O-OG1 3.48Å
336M89.7Confident85.8Confident2 Ų249.1 Ų49.11%0.0128%0.279CS..Hα-helixtrans-63.6-42.1170.7-172.564.8-158.900111.4I272 Q275 L276 I281 L284 D332 G333 E334 T339 D340 Y357I272-M336 HydrophobicContact CD1-SD 4.3Å; Q275-M336 VanDerWaalsContact C-SD 3.53Å; Q275-M336 HydrophobicContact CB-CB 3.84Å; Q275-M336 HydrophobicContact CB-CG 4.26Å; Q275-M336 HydrophobicContact CB-SD 3.6Å; Q275-M336 HydrophobicContact CG-CB 4.47Å; Q275-M336 WeakPolarHBondContact O-CG 2.85Å; L276-M336 HydrophobicContact CD2-CE 3.66Å; L276-M336 HydrophobicContact CD2-SD 4.31Å; L276-M336 HydrophobicContact CG-CE 4.31Å; L276-M336 HydrophobicContact CG-SD 4.37Å; I281-M336 HydrophobicContact CD1-CE 3.53Å; I281-M336 HydrophobicContact CD1-CG 3.86Å; I281-M336 HydrophobicContact CG1-CG 4.17Å; L284-M336 HydrophobicContact CD1-CE 4.23Å; D332-M336 WeakPolarHBondContact O-CB 3.23Å; D332-M336 PolarHBondContact O-N 2.72Å; D332-M336 VanDerWaalsContact O-N 3.11Å; G333-M336 PolarHBondContact O-N 3.2Å; E334-M336 PolarHBondContact O-N 2.81Å; M336-T339 PolarHBondContact O-N 2.76Å; M336-D340 PolarHBondContact O-N 3.49Å; M336-Y357 HydrophobicContact CE-CD1 4.49Å; M336-Y357 HydrophobicContact CE-CE1 3.84Å; M336-Y357 HydrophobicContact CE-CE2 4.22Å
337Q89.4Confident86Confident69 Ų6949.2 Ų49.232%0.32228%0.276SS..Hα-helixtrans-64-46.7177.8-178.3-178.8-25.800111.3R280 G333 E334 T339 D340 E341R280-Q337 HydrophobicContact CG-CB 4.07Å; G333-Q337 PolarHBondContact O-N 2.65Å; E334-Q337 WeakPolarHBondContact O-CB 2.9Å; E334-Q337 PolarHBondContact O-N 3.5Å; E334-Q337 VanDerWaalsContact O-N 3.16Å; Q337-T339 PolarHBondContact O-N 2.69Å; Q337-D340 PolarHBondContact O-N 2.81Å; Q337-E341 HydrophobicContact CG-CG 4.45Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.39Å; Q337-E341 PolarHBondContact NE2-OE1 3Å; Q337-E341 WeakPolarHBondContact O-CB 2.88Å; Q337-E341 WeakPolarHBondContact O-CG 3.16Å; Q337-E341 PolarHBondContact O-N 2.62Å
338I89.7Confident86.4Confident64 Ų6449.1 Ų49.133%0.32828%0.275SS..Hα-helixtrans-59.3-34.9176.9-66.7164.8000111.4P217 E334 A342P217-I338 HydrophobicContact CB-CG2 4.11Å; P217-I338 HydrophobicContact CG-CG2 4.15Å; E334-I338 WeakPolarHBondContact O-CG1 3.45Å; E334-I338 PolarHBondContact O-N 2.77Å; I338-A342 VanDerWaalsContact O-CB 3.28Å; I338-A342 WeakPolarHBondContact O-CB 3.04Å; I338-A342 PolarHBondContact O-N 2.68Å; I338-A342 VanDerWaalsContact O-N 3.13Å
339T90.1Very high86.9Confident0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-71.6-43.9179.2-59.10000112.3A221 E335 M336 Q337 A342 F343A221-T339 HydrophobicContact CB-CG2 3.76Å; E335-T339 WeakPolarHBondContact O-CB 3.12Å; E335-T339 PolarHBondContact O-N 2.65Å; E335-T339 PolarHBondContact O-OG1 3.48Å; M336-T339 PolarHBondContact O-N 2.76Å; Q337-T339 PolarHBondContact O-N 2.69Å; T339-A342 WeakPolarHBondContact O-CB 3.22Å; T339-A342 PolarHBondContact O-N 2.71Å; T339-F343 HydrophobicContact CG2-CD2 4.28Å; T339-F343 HydrophobicContact CG2-CE2 3.93Å; T339-F343 VanDerWaalsContact O-CD2 3.3Å; T339-F343 WeakPolarHBondContact O-CD2 3Å; T339-F343 PolarHBondContact O-N 3.38Å; T339-F343 VanDerWaalsContact O-N 3.11Å
340D89.6Confident87.4Confident26 Ų2649.9 Ų49.914%0.13925%0.25CS..Hα-helixtrans-71.3-40.7178.4-162.861.2000112.2I281 M336 Q337 A342 F343 D344 K353 Y357I281-D340 HydrophobicContact CD1-CB 3.47Å; I281-D340 VanDerWaalsContact CD1-CB 3.47Å; M336-D340 PolarHBondContact O-N 3.49Å; Q337-D340 PolarHBondContact O-N 2.81Å; D340-A342 PolarHBondContact O-N 3.38Å; D340-F343 PolarHBondContact O-N 2.79Å; D340-F343 VanDerWaalsContact O-N 3.16Å; D340-D344 PolarHBondContact O-N 3.38Å; D340-D344 VanDerWaalsContact O-N 3.17Å; D340-K353 WeakPolarHBondContact OD1-CD 3.1Å; D340-K353 WeakPolarHBondContact OD1-CE 3.41Å; D340-K353 IonicContact OD1-NZ 3.65Å; D340-K353 PolarHBondContact OD1-NZ 2.7Å; D340-K353 IonicContact OD2-NZ 2.64Å; D340-K353 PolarHBondContact OD2-NZ 3.31Å; D340-Y357 PolarHBondContact OD1-OH 3.25Å
341E89.3Confident87.7Confident81 Ų8153.4 Ų53.438%0.37927%0.266SS..Hα-helixtrans-59-27.4169.3-72.8177.3-163.100112.6K214 Q337 V345K214-E341 IonicContact NZ-OE2 2.68Å; Q337-E341 HydrophobicContact CG-CG 4.45Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.39Å; Q337-E341 PolarHBondContact NE2-OE1 3Å; Q337-E341 WeakPolarHBondContact O-CB 2.88Å; Q337-E341 WeakPolarHBondContact O-CG 3.16Å; Q337-E341 PolarHBondContact O-N 2.62Å; E341-V345 WeakPolarHBondContact O-CG2 3.11Å; E341-V345 PolarHBondContact O-N 2.79Å
342A90.1Very high87.8Confident0 Ų050.7 Ų50.70%025%0.25CS..Hα-helixtrans-78-36.9176.600000112.6K214 P217 V218 I338 T339 D340 D344 V345 M346K214-A342 HydrophobicContact CB-CB 4.21Å; K214-A342 HydrophobicContact CD-CB 3.87Å; K214-A342 WeakPolarHBondContact O-CB 3.14Å; P217-A342 HydrophobicContact CB-CB 4.21Å; V218-A342 HydrophobicContact CG2-CB 3.71Å; I338-A342 VanDerWaalsContact O-CB 3.28Å; I338-A342 WeakPolarHBondContact O-CB 3.04Å; I338-A342 PolarHBondContact O-N 2.68Å; I338-A342 VanDerWaalsContact O-N 3.13Å; T339-A342 WeakPolarHBondContact O-CB 3.22Å; T339-A342 PolarHBondContact O-N 2.71Å; D340-A342 PolarHBondContact O-N 3.38Å; A342-D344 VanDerWaalsContact C-N 3.31Å; A342-D344 PolarHBondContact O-N 2.7Å; A342-V345 PolarHBondContact O-N 2.71Å; A342-M346 WeakPolarHBondContact O-CB 3.24Å; A342-M346 WeakPolarHBondContact O-CG 3.38Å; A342-M346 PolarHBondContact O-N 2.66Å; A342-M346 VanDerWaalsContact O-N 3.1Å
343F90.7Very high87.9Confident0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-60.6-40171.2-79.4-67.4000112.2V218 F222 T339 D340 M346 N347 F348 K353 L356 Y357 L446V218-F343 HydrophobicContact CG1-CD1 4.24Å; V218-F343 HydrophobicContact CG1-CE1 3.59Å; V218-F343 HydrophobicContact CG1-CE2 4.38Å; V218-F343 HydrophobicContact CG1-CZ 3.67Å; V218-F343 HydrophobicContact CG2-CD1 4.23Å; V218-F343 HydrophobicContact CG2-CD2 4.4Å; V218-F343 HydrophobicContact CG2-CE1 4.35Å; V218-F343 HydrophobicContact CG2-CE2 4.5Å; V218-F343 HydrophobicContact CG2-CG 4.27Å; V218-F343 HydrophobicContact CG2-CZ 4.48Å; F222-F343 HydrophobicContact CE2-CE2 4.12Å; F222-F343 AromaticContact CE2-CZ 3.76Å; F222-F343 HydrophobicContact CE2-CZ 3.76Å; F222-F343 HydrophobicContact CZ-CZ 4.35Å; T339-F343 HydrophobicContact CG2-CD2 4.28Å; T339-F343 HydrophobicContact CG2-CE2 3.93Å; T339-F343 VanDerWaalsContact O-CD2 3.3Å; T339-F343 WeakPolarHBondContact O-CD2 3Å; T339-F343 PolarHBondContact O-N 3.38Å; T339-F343 VanDerWaalsContact O-N 3.11Å; D340-F343 PolarHBondContact O-N 2.79Å; D340-F343 VanDerWaalsContact O-N 3.16Å; F343-M346 CarbonylContact O-C 3.52Å; F343-M346 PolarHBondContact O-N 3.34Å; F343-N347 PolarHBondContact O-N 3.5Å; F343-F348 HydrophobicContact CB-CB 4.26Å; F343-F348 HydrophobicContact CD1-CB 4.11Å; F343-F348 AromaticContact CD1-CD1 3.72Å; F343-F348 HydrophobicContact CD1-CD1 3.72Å; F343-F348 AromaticContact CD1-CD2 3.85Å; F343-F348 HydrophobicContact CD1-CD2 3.85Å; F343-F348 HydrophobicContact CD1-CE1 4.03Å; F343-F348 HydrophobicContact CD1-CE2 4.16Å; F343-F348 AromaticContact CD1-CG 3.62Å; F343-F348 HydrophobicContact CD1-CG 3.62Å; F343-F348 HydrophobicContact CD1-CZ 4.24Å; F343-F348 AromaticContact CE1-CD1 3.95Å; F343-F348 HydrophobicContact CE1-CD1 3.95Å; F343-F348 AromaticContact CE1-CE1 3.89Å; F343-F348 HydrophobicContact CE1-CE1 3.89Å; F343-F348 HydrophobicContact CE1-CG 4.31Å; F343-F348 HydrophobicContact CE1-CZ 4.2Å; F343-F348 PolarHBondContact O-N 2.81Å; F343-F348 VanDerWaalsContact O-N 3.14Å; F343-K353 HydrophobicContact CB-CD 3.46Å; F343-K353 VanDerWaalsContact CB-CD 3.46Å; F343-K353 HydrophobicContact CB-CG 4.08Å; F343-K353 HydrophobicContact CD2-CD 4.48Å; F343-K353 HydrophobicContact CG-CD 4.12Å; F343-K353 HydrophobicContact CG-CG 4.33Å; F343-L356 HydrophobicContact CE1-CD1 3.69Å; F343-L356 HydrophobicContact CZ-CD1 3.78Å; F343-Y357 HydrophobicContact CE2-CE1 4.19Å; F343-L446 HydrophobicContact CE1-CD1 3.69Å; F343-L446 HydrophobicContact CZ-CD1 4.2Å
344D88.7Confident88Confident87 Ų8750.2 Ų50.247%0.46525%0.246SC..Hα-helixtrans-64.5-45.6178.3-70.5-5.7000112D340 A342 M346 N347 K353D340-D344 PolarHBondContact O-N 3.38Å; D340-D344 VanDerWaalsContact O-N 3.17Å; A342-D344 VanDerWaalsContact C-N 3.31Å; A342-D344 PolarHBondContact O-N 2.7Å; D344-M346 PolarHBondContact O-N 2.74Å; D344-N347 PolarHBondContact O-N 2.71Å; D344-K353 WeakPolarHBondContact OD1-CE 3.3Å; D344-K353 IonicContact OD1-NZ 3.49Å; D344-K353 PolarHBondContact OD1-NZ 2.66Å; D344-K353 IonicContact OD2-NZ 3.55Å
345V85.8Confident88Confident39 Ų3945 Ų4524%0.23622%0.222CC..Hα-helixtrans-60.9-32.7174.6169.20000112A206 Q211 K214 E341 A342 N347A206-V345 HydrophobicContact CB-CG1 3.86Å; Q211-V345 HydrophobicContact CG-CG1 4.1Å; Q211-V345 WeakPolarHBondContact CG-O 3.03Å; Q211-V345 PolarHBondContact NE2-O 3.09Å; Q211-V345 VanDerWaalsContact NE2-O 3.14Å; K214-V345 HydrophobicContact CB-CB 4.37Å; K214-V345 HydrophobicContact CB-CG1 4.03Å; K214-V345 HydrophobicContact CG-CB 4.26Å; K214-V345 HydrophobicContact CG-CG1 3.98Å; K214-V345 HydrophobicContact CG-CG2 4.44Å; E341-V345 WeakPolarHBondContact O-CG2 3.11Å; E341-V345 PolarHBondContact O-N 2.79Å; A342-V345 PolarHBondContact O-N 2.71Å; V345-N347 VanDerWaalsContact C-N 3.26Å; V345-N347 PolarHBondContact O-N 2.69Å
346M85.1Confident88.1Confident0 Ų042.1 Ų42.10%021%0.208CC..THydrogen-bonded Turntrans-78.8-1.9177.5-69.9-65.7-75.200114.1Q211 T215 A342 F343 D344 F348 C450 T453 L454Q211-M346 HydrophobicContact CB-SD 3.77Å; Q211-M346 HydrophobicContact CG-SD 4.23Å; Q211-M346 VanDerWaalsContact O-SD 3.35Å; T215-M346 HydrophobicContact CG2-CE 4.39Å; T215-M346 WeakPolarHBondContact OG1-CE 3.2Å; T215-M346 PolarHBondContact OG1-SD 3.48Å; A342-M346 WeakPolarHBondContact O-CB 3.24Å; A342-M346 WeakPolarHBondContact O-CG 3.38Å; A342-M346 PolarHBondContact O-N 2.66Å; A342-M346 VanDerWaalsContact O-N 3.1Å; F343-M346 CarbonylContact O-C 3.52Å; F343-M346 PolarHBondContact O-N 3.34Å; D344-M346 PolarHBondContact O-N 2.74Å; M346-F348 HydrophobicContact CB-CD2 3.71Å; M346-F348 HydrophobicContact CB-CE2 3.89Å; M346-C450 HydrophobicContact CE-CB 3.88Å; M346-T453 WeakPolarHBondContact CE-OG1 3.39Å; M346-T453 WeakPolarHBondContact O-CB 3.37Å; M346-T453 VanDerWaalsContact O-CG2 3.32Å; M346-T453 WeakPolarHBondContact O-CG2 3.05Å; M346-L454 HydrophobicContact CE-CD1 4.32Å; M346-L454 HydrophobicContact CE-CD2 4.2Å; M346-L454 HydrophobicContact CE-CG 4.09Å; M346-L454 HydrophobicContact SD-CD2 4.47Å
347N85.6Confident88.1Confident103 Ų10342.1 Ų42.155%0.55121%0.208SC*.THydrogen-bonded Turntrans5743.5-175.2-46.4-87.6000113.7Q211 F343 D344 V345 R449Q211-N347 PolarHBondContact NE2-ND2 2.67Å; F343-N347 PolarHBondContact O-N 3.5Å; D344-N347 PolarHBondContact O-N 2.71Å; V345-N347 VanDerWaalsContact C-N 3.26Å; V345-N347 PolarHBondContact O-N 2.69Å; N347-R449 PolarHBondContact O-NH2 3.34Å
348F88.8Confident88.1Confident12 Ų1241.4 Ų41.45%0.05320%0.204CC..  trans-75.3140.5162.7-81.3-114.9000109.5F343 M346 E352 K353 L356 W445 L446 R449F343-F348 HydrophobicContact CB-CB 4.26Å; F343-F348 HydrophobicContact CD1-CB 4.11Å; F343-F348 AromaticContact CD1-CD1 3.72Å; F343-F348 HydrophobicContact CD1-CD1 3.72Å; F343-F348 AromaticContact CD1-CD2 3.85Å; F343-F348 HydrophobicContact CD1-CD2 3.85Å; F343-F348 HydrophobicContact CD1-CE1 4.03Å; F343-F348 HydrophobicContact CD1-CE2 4.16Å; F343-F348 AromaticContact CD1-CG 3.62Å; F343-F348 HydrophobicContact CD1-CG 3.62Å; F343-F348 HydrophobicContact CD1-CZ 4.24Å; F343-F348 AromaticContact CE1-CD1 3.95Å; F343-F348 HydrophobicContact CE1-CD1 3.95Å; F343-F348 AromaticContact CE1-CE1 3.89Å; F343-F348 HydrophobicContact CE1-CE1 3.89Å; F343-F348 HydrophobicContact CE1-CG 4.31Å; F343-F348 HydrophobicContact CE1-CZ 4.2Å; F343-F348 PolarHBondContact O-N 2.81Å; F343-F348 VanDerWaalsContact O-N 3.14Å; M346-F348 HydrophobicContact CB-CD2 3.71Å; M346-F348 HydrophobicContact CB-CE2 3.89Å; F348-E352 HydrophobicContact CD1-CB 4.33Å; F348-K353 HydrophobicContact CB-CG 4.15Å; F348-L356 HydrophobicContact CD1-CD1 4.4Å; F348-L356 HydrophobicContact CE1-CD1 4.33Å; F348-W445 HydrophobicContact CE1-CH2 4.24Å; F348-W445 HydrophobicContact CE1-CZ3 4.02Å; F348-L446 HydrophobicContact CE1-CD1 3.73Å; F348-L446 HydrophobicContact CZ-CD1 3.74Å; F348-R449 HydrophobicContact CD1-CG 4.08Å; F348-R449 HydrophobicContact CE1-CB 3.95Å; F348-R449 HydrophobicContact CE1-CG 3.44Å; F348-R449 VanDerWaalsContact CE1-CG 3.44Å; F348-R449 HydrophobicContact CE2-CG 4.11Å; F348-R449 HydrophobicContact CZ-CB 3.8Å; F348-R449 HydrophobicContact CZ-CG 3.46Å; F348-R449 VanDerWaalsContact CZ-CG 3.46Å
349E86.7Confident88.1Confident126 Ų12638.4 Ų38.459%0.58919%0.189SC*.  trans-76.2148.5176.3-62.3-178.9-175.500110.3E351 E352 K353E349-E351 PolarHBondContact O-N 2.65Å; E349-E351 VanDerWaalsContact O-N 3.14Å; E349-E352 HydrophobicContact CB-CG 4.17Å; E349-E352 PolarHBondContact N-OE2 2.75Å; E349-E352 WeakPolarHBondContact O-CA 3.28Å; E349-E352 WeakPolarHBondContact O-CB 3.5Å; E349-E352 PolarHBondContact O-N 3.43Å; E349-K353 PolarHBondContact O-N 2.68Å
350Q84.2Confident88Confident105 Ų10538.5 Ų38.549%0.49119%0.19SC..Hα-helixtrans-59.6-30.2-179-175.362.152.200112.3K353 D354Q350-K353 PolarHBondContact O-N 2.64Å; Q350-D354 PolarHBondContact NE2-OD1 3.13Å; Q350-D354 WeakPolarHBondContact O-CB 3.27Å; Q350-D354 PolarHBondContact O-N 2.67Å
351E85.4Confident87.8Confident112 Ų11237.3 Ų37.352%0.52318%0.183SC..Hα-helixtrans-66.9-38.5173.3-159-163.4123.700112.1E349 D354 N355E349-E351 PolarHBondContact O-N 2.65Å; E349-E351 VanDerWaalsContact O-N 3.14Å; E351-D354 PolarHBondContact O-N 2.68Å; E351-N355 VanDerWaalsContact O-CB 3.24Å; E351-N355 WeakPolarHBondContact O-CB 3.1Å; E351-N355 PolarHBondContact O-N 2.84Å; E351-N355 PolarHBondContact O-ND2 3.4Å; E351-N355 PolarHBondContact OE1-ND2 2.72Å
352E89.1Confident87.8Confident32 Ų3233.5 Ų33.515%0.1517%0.165CC..Hα-helixtrans-65.4-43.3174.5-64.3178.9118.400111.3F348 E349 N355 L356 W445 R449F348-E352 HydrophobicContact CD1-CB 4.33Å; E349-E352 HydrophobicContact CB-CG 4.17Å; E349-E352 PolarHBondContact N-OE2 2.75Å; E349-E352 WeakPolarHBondContact O-CA 3.28Å; E349-E352 WeakPolarHBondContact O-CB 3.5Å; E349-E352 PolarHBondContact O-N 3.43Å; E352-N355 PolarHBondContact O-N 2.79Å; E352-L356 WeakPolarHBondContact O-CB 3.31Å; E352-L356 VanDerWaalsContact O-CG 3.31Å; E352-L356 WeakPolarHBondContact O-CG 3Å; E352-L356 PolarHBondContact O-N 2.76Å; E352-W445 HydrophobicContact CB-CH2 4.13Å; E352-W445 HydrophobicContact CG-CH2 4.13Å; E352-W445 HydrophobicContact CG-CZ2 4.49Å; E352-W445 WeakPolarHBondContact OE1-CH2 3.07Å; E352-W445 WeakPolarHBondContact OE1-CZ2 3.32Å; E352-R449 IonicContact OE1-CZ 2.67Å; E352-R449 IonicContact OE1-NE 3.64Å; E352-R449 PolarHBondContact OE1-NE 3.27Å; E352-R449 IonicContact OE1-NH2 2.99Å; E352-R449 PolarHBondContact OE1-NH2 2.67Å; E352-R449 IonicContact OE2-CZ 2.72Å; E352-R449 IonicContact OE2-NE 3.54Å; E352-R449 PolarHBondContact OE2-NE 3.21Å; E352-R449 IonicContact OE2-NH2 3.11Å; E352-R449 PolarHBondContact OE2-NH2 3.47Å
353K88.8Confident87.6Confident2 Ų234 Ų341%0.00917%0.168CC..Hα-helixtrans-60.1-51.5174.2-57.9-160.8-54.1173.30111D340 F343 D344 F348 E349 Q350 N355 L356 Y357D340-K353 WeakPolarHBondContact OD1-CD 3.1Å; D340-K353 WeakPolarHBondContact OD1-CE 3.41Å; D340-K353 IonicContact OD1-NZ 3.65Å; D340-K353 PolarHBondContact OD1-NZ 2.7Å; D340-K353 IonicContact OD2-NZ 2.64Å; D340-K353 PolarHBondContact OD2-NZ 3.31Å; F343-K353 HydrophobicContact CB-CD 3.46Å; F343-K353 VanDerWaalsContact CB-CD 3.46Å; F343-K353 HydrophobicContact CB-CG 4.08Å; F343-K353 HydrophobicContact CD2-CD 4.48Å; F343-K353 HydrophobicContact CG-CD 4.12Å; F343-K353 HydrophobicContact CG-CG 4.33Å; D344-K353 WeakPolarHBondContact OD1-CE 3.3Å; D344-K353 IonicContact OD1-NZ 3.49Å; D344-K353 PolarHBondContact OD1-NZ 2.66Å; D344-K353 IonicContact OD2-NZ 3.55Å; F348-K353 HydrophobicContact CB-CG 4.15Å; E349-K353 PolarHBondContact O-N 2.68Å; Q350-K353 PolarHBondContact O-N 2.64Å; K353-N355 VanDerWaalsContact C-N 3.34Å; K353-N355 PolarHBondContact O-N 2.64Å; K353-L356 PolarHBondContact O-N 2.8Å; K353-Y357 HydrophobicContact CB-CE2 4.12Å; K353-Y357 WeakPolarHBondContact O-CD2 3.2Å; K353-Y357 PolarHBondContact O-N 2.73Å
354D85.6Confident87.3Confident21 Ų2134.1 Ų34.111%0.11217%0.169CC..Hα-helixtrans-56.6-45176.6-90.437.2000111.7K307 Q350 E351 Y357 K358K307-D354 IonicContact NZ-OD1 2.88Å; K307-D354 IonicContact NZ-OD2 3.49Å; K307-D354 PolarHBondContact NZ-OD2 2.91Å; Q350-D354 PolarHBondContact NE2-OD1 3.13Å; Q350-D354 WeakPolarHBondContact O-CB 3.27Å; Q350-D354 PolarHBondContact O-N 2.67Å; E351-D354 PolarHBondContact O-N 2.68Å; D354-Y357 PolarHBondContact O-N 3.1Å; D354-K358 VanDerWaalsContact O-CG 3.27Å; D354-K358 WeakPolarHBondContact O-CG 3.27Å; D354-K358 PolarHBondContact O-N 2.84Å
355N88.6Confident87.3Confident4 Ų430 Ų302%0.02115%0.147CC..Hα-helixtrans-69.8-37-178.7-71.7-21.6000112.5E351 E352 K353 K358 L359 L626E351-N355 VanDerWaalsContact O-CB 3.24Å; E351-N355 WeakPolarHBondContact O-CB 3.1Å; E351-N355 PolarHBondContact O-N 2.84Å; E351-N355 PolarHBondContact O-ND2 3.4Å; E351-N355 PolarHBondContact OE1-ND2 2.72Å; E352-N355 PolarHBondContact O-N 2.79Å; K353-N355 VanDerWaalsContact C-N 3.34Å; K353-N355 PolarHBondContact O-N 2.64Å; N355-K358 PolarHBondContact O-N 3Å; N355-K358 PolarHBondContact OD1-NZ 2.77Å; N355-L359 WeakPolarHBondContact O-CG 3.38Å; N355-L359 PolarHBondContact O-N 2.87Å; N355-L626 HydrophobicContact CB-CB 3.99Å; N355-L626 HydrophobicContact CB-CD2 3.91Å
356L89.6Confident87.3Confident0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-58.3-49.1169.7-76.6167.8000111.1F222 F343 F348 E352 K353 K358 L359 C360 T442 W445 L446 L626F222-L356 HydrophobicContact CE1-CD2 4.45Å; F222-L356 HydrophobicContact CZ-CB 4.35Å; F343-L356 HydrophobicContact CE1-CD1 3.69Å; F343-L356 HydrophobicContact CZ-CD1 3.78Å; F348-L356 HydrophobicContact CD1-CD1 4.4Å; F348-L356 HydrophobicContact CE1-CD1 4.33Å; E352-L356 WeakPolarHBondContact O-CB 3.31Å; E352-L356 VanDerWaalsContact O-CG 3.31Å; E352-L356 WeakPolarHBondContact O-CG 3Å; E352-L356 PolarHBondContact O-N 2.76Å; K353-L356 PolarHBondContact O-N 2.8Å; L356-K358 PolarHBondContact O-N 2.79Å; L356-L359 PolarHBondContact O-N 2.78Å; L356-C360 PolarHBondContact O-N 2.67Å; L356-C360 VanDerWaalsContact O-N 3.08Å; L356-T442 HydrophobicContact CD2-CG2 3.55Å; L356-W445 HydrophobicContact CD1-CZ3 4.2Å; L356-W445 HydrophobicContact CD2-CE3 4.23Å; L356-W445 HydrophobicContact CD2-CZ3 4.05Å; L356-W445 HydrophobicContact CG-CZ3 4.23Å; L356-L446 HydrophobicContact CD1-CD1 4.16Å; L356-L626 HydrophobicContact CD2-CD2 4.02Å; L356-L626 HydrophobicContact CG-CD2 4.1Å
357Y89.7Confident87.1Confident1 Ų129 Ų290%0.00414%0.143CC..Hα-helixtrans-65.9-36.7-179.5-57.1-28.5000112.2I272 L276 L284 M336 D340 F343 K353 D354 C360 A361I272-Y357 HydrophobicContact CD1-CE1 4.47Å; L276-Y357 HydrophobicContact CD1-CD1 4.49Å; L276-Y357 HydrophobicContact CD2-CD1 3.73Å; L276-Y357 HydrophobicContact CD2-CD2 4.44Å; L276-Y357 HydrophobicContact CD2-CE1 4.32Å; L276-Y357 HydrophobicContact CD2-CG 3.8Å; L284-Y357 HydrophobicContact CD1-CD2 4.04Å; L284-Y357 HydrophobicContact CD1-CE2 4.21Å; L284-Y357 HydrophobicContact CD2-CD2 4.11Å; M336-Y357 HydrophobicContact CE-CD1 4.49Å; M336-Y357 HydrophobicContact CE-CE1 3.84Å; M336-Y357 HydrophobicContact CE-CE2 4.22Å; D340-Y357 PolarHBondContact OD1-OH 3.25Å; F343-Y357 HydrophobicContact CE2-CE1 4.19Å; K353-Y357 HydrophobicContact CB-CE2 4.12Å; K353-Y357 WeakPolarHBondContact O-CD2 3.2Å; K353-Y357 PolarHBondContact O-N 2.73Å; D354-Y357 PolarHBondContact O-N 3.1Å; Y357-C360 PolarHBondContact O-N 2.72Å; Y357-A361 WeakPolarHBondContact O-CB 3.44Å; Y357-A361 PolarHBondContact O-N 3.34Å
358K88.8Confident87.1Confident54 Ų5425.5 Ų25.524%0.23512%0.124CC..Hα-helixtrans-59.1-46.3171-73170.9-157.7166.20112.2L308 D354 N355 L356 A361 A362 L394L308-K358 HydrophobicContact CD2-CB 4.47Å; L308-K358 HydrophobicContact CD2-CG 3.99Å; D354-K358 VanDerWaalsContact O-CG 3.27Å; D354-K358 WeakPolarHBondContact O-CG 3.27Å; D354-K358 PolarHBondContact O-N 2.84Å; N355-K358 PolarHBondContact O-N 3Å; N355-K358 PolarHBondContact OD1-NZ 2.77Å; L356-K358 PolarHBondContact O-N 2.79Å; K358-A361 PolarHBondContact O-N 2.78Å; K358-A362 WeakPolarHBondContact O-CB 3.48Å; K358-A362 PolarHBondContact O-N 3.41Å; K358-L394 HydrophobicContact CB-CB 4.43Å; K358-L394 HydrophobicContact CB-CD2 4.27Å; K358-L394 HydrophobicContact CG-CD2 4.08Å
359L89.4Confident87.1Confident1 Ų126 Ų261%0.00513%0.127CC..Hα-helixtrans-66.9-38.3180-68.3-176.1000112.1N355 L356 A362 I363 M395 T442 L626 I627 I630N355-L359 WeakPolarHBondContact O-CG 3.38Å; N355-L359 PolarHBondContact O-N 2.87Å; L356-L359 PolarHBondContact O-N 2.78Å; L359-A362 PolarHBondContact O-N 2.94Å; L359-I363 WeakPolarHBondContact O-CG1 3.46Å; L359-I363 PolarHBondContact O-N 3.37Å; L359-M395 HydrophobicContact CD2-CG 4.1Å; L359-T442 HydrophobicContact CD1-CG2 4.23Å; L359-L626 HydrophobicContact CD1-CD2 3.67Å; L359-L626 HydrophobicContact CD1-CG 3.84Å; L359-L626 HydrophobicContact CG-CD2 4.44Å; L359-I627 HydrophobicContact CD2-CB 4.43Å; L359-I627 HydrophobicContact CD2-CD1 3.76Å; L359-I627 HydrophobicContact CD2-CG1 3.95Å; L359-I630 HydrophobicContact CD1-CD1 4.02Å
360C87.5Confident87.1Confident3 Ų326 Ų262%0.0213%0.125CC..Hα-helixtrans-59-48.8170.7-73.60000111.6F273 L276 L356 Y357 A362 I363 M364F273-C360 HydrophobicContact CE1-CB 4.37Å; L276-C360 HydrophobicContact CD1-CB 3.59Å; L356-C360 PolarHBondContact O-N 2.67Å; L356-C360 VanDerWaalsContact O-N 3.08Å; Y357-C360 PolarHBondContact O-N 2.72Å; C360-A362 PolarHBondContact O-N 3.03Å; C360-I363 PolarHBondContact O-N 3.21Å; C360-M364 WeakPolarHBondContact O-CG 3.43Å; C360-M364 PolarHBondContact O-N 3.44Å
361A86.5Confident87.3Confident0 Ų022.5 Ų22.50%011%0.108CC..Hα-helixtrans-63.3-38.9177.300000112.8L308 L310 Y357 K358 I363 M364 H365 L394L308-A361 HydrophobicContact CB-CB 4.18Å; L308-A361 HydrophobicContact CD2-CB 4.31Å; L310-A361 HydrophobicContact CD1-CB 4.08Å; L310-A361 HydrophobicContact CD2-CB 3.93Å; L310-A361 HydrophobicContact CG-CB 4.04Å; Y357-A361 WeakPolarHBondContact O-CB 3.44Å; Y357-A361 PolarHBondContact O-N 3.34Å; K358-A361 PolarHBondContact O-N 2.78Å; A361-I363 VanDerWaalsContact C-N 3.31Å; A361-I363 PolarHBondContact O-N 3.02Å; A361-M364 WeakPolarHBondContact O-CB 3.11Å; A361-M364 PolarHBondContact O-N 3.36Å; A361-H365 PolarHBondContact O-CD2 2.6Å; A361-H365 PolarHBondContact O-N 2.7Å; A361-L394 HydrophobicContact CB-CD1 3.81Å
362A88.5Confident87.5Confident1 Ų121 Ų211%0.00810%0.1CC..Hα-helixtrans-58.8-42.7177.700000111.7K358 L359 C360 M364 H365 M366 S391 L394 M395K358-A362 WeakPolarHBondContact O-CB 3.48Å; K358-A362 PolarHBondContact O-N 3.41Å; L359-A362 PolarHBondContact O-N 2.94Å; C360-A362 PolarHBondContact O-N 3.03Å; A362-M364 VanDerWaalsContact C-N 3.31Å; A362-M364 PolarHBondContact O-N 2.74Å; A362-H365 PolarHBondContact O-N 3.32Å; A362-M366 WeakPolarHBondContact O-CG 3.34Å; A362-M366 PolarHBondContact O-N 2.72Å; A362-S391 PolarHBondContact O-OG 3.05Å; A362-L394 HydrophobicContact CB-CB 3.9Å; A362-L394 HydrophobicContact CB-CD1 4.37Å; A362-M395 HydrophobicContact CB-CG 3.83Å; A362-M395 HydrophobicContact CB-SD 4.34Å
363I87.4Confident87.4Confident11 Ų1122.6 Ų22.66%0.05611%0.107CC..Hα-helixtrans-63.7-35.1175.7-68.2162.8000111.7F273 L359 C360 A361 M366 G367 C435 I438 Y439F273-I363 HydrophobicContact CE1-CB 4.46Å; F273-I363 HydrophobicContact CE1-CG2 4.27Å; F273-I363 HydrophobicContact CZ-CG2 4.21Å; L359-I363 WeakPolarHBondContact O-CG1 3.46Å; L359-I363 PolarHBondContact O-N 3.37Å; C360-I363 PolarHBondContact O-N 3.21Å; A361-I363 VanDerWaalsContact C-N 3.31Å; A361-I363 PolarHBondContact O-N 3.02Å; I363-M366 HydrophobicContact CG1-SD 4.46Å; I363-M366 PolarHBondContact O-N 3.48Å; I363-G367 PolarHBondContact O-N 2.94Å; I363-C435 HydrophobicContact CG2-CB 4.13Å; I363-I438 HydrophobicContact CD1-CB 4.32Å; I363-I438 HydrophobicContact CD1-CG2 4Å; I363-I438 HydrophobicContact CG1-CG2 4.35Å; I363-Y439 HydrophobicContact CD1-CD2 3.92Å; I363-Y439 HydrophobicContact CD1-CG 4.44Å
364M84.4Confident87.2Confident2 Ų227 Ų271%0.0112%0.124CC..Hα-helixtrans-61.5-45.5175-59.6-176.255.700111F273 M277 L310 Y317 I320 C360 A361 A362 G367F273-M364 HydrophobicContact CD1-CG 3.83Å; F273-M364 HydrophobicContact CD1-SD 4.09Å; F273-M364 HydrophobicContact CE1-CG 4.17Å; M277-M364 HydrophobicContact CE-CE 4.27Å; M277-M364 HydrophobicContact CG-CE 3.95Å; M277-M364 HydrophobicContact SD-CE 3.9Å; L310-M364 HydrophobicContact CD1-SD 4.19Å; L310-M364 HydrophobicContact CD2-CB 4.28Å; L310-M364 HydrophobicContact CD2-CE 3.94Å; L310-M364 HydrophobicContact CD2-SD 3.71Å; Y317-M364 HydrophobicContact CD1-CB 3.77Å; Y317-M364 HydrophobicContact CD1-CE 4.1Å; Y317-M364 WeakPolarHBondContact CD1-O 3.3Å; Y317-M364 HydrophobicContact CD2-CE 3.6Å; Y317-M364 HydrophobicContact CE1-CB 3.87Å; Y317-M364 HydrophobicContact CE1-CE 4.19Å; Y317-M364 HydrophobicContact CE2-CE 3.72Å; Y317-M364 HydrophobicContact CG-CB 4.43Å; Y317-M364 HydrophobicContact CG-CE 3.79Å; I320-M364 HydrophobicContact CD1-CB 4.39Å; I320-M364 HydrophobicContact CD1-CE 3.78Å; I320-M364 HydrophobicContact CD1-CG 3.59Å; I320-M364 HydrophobicContact CD1-SD 4.03Å; C360-M364 WeakPolarHBondContact O-CG 3.43Å; C360-M364 PolarHBondContact O-N 3.44Å; A361-M364 WeakPolarHBondContact O-CB 3.11Å; A361-M364 PolarHBondContact O-N 3.36Å; A362-M364 VanDerWaalsContact C-N 3.31Å; A362-M364 PolarHBondContact O-N 2.74Å; M364-G367 PolarHBondContact O-N 3.44Å
365H87.5Confident86.9Confident1 Ų132.5 Ų32.51%0.00516%0.16CC..Hα-helixtrans-70.7-35176.9-73-77.1000113.4A361 A362 G367 E368 M369 E387 M390A361-H365 PolarHBondContact O-CD2 2.6Å; A361-H365 PolarHBondContact O-N 2.7Å; A362-H365 PolarHBondContact O-N 3.32Å; H365-G367 PolarHBondContact O-N 3.36Å; H365-E368 PolarHBondContact O-N 3.01Å; H365-M369 PolarHBondContact O-N 3.12Å; H365-E387 IonicContact CE1-OE2 2.64Å; H365-E387 IonicContact CG-OE2 3.6Å; H365-E387 IonicContact ND1-OE2 2.67Å; H365-E387 PolarHBondContact ND1-OE2 3.48Å; H365-M390 VanDerWaalsContact CE1-SD 3.52Å
366M86.4Confident86.2Confident2 Ų244 Ų441%0.0120%0.203CC..Hα-helixtrans-55.9-34.5171.9-70.2173.17400112.3A362 I363 E368 M369 S391 F402 V431 L434 C435 I438A362-M366 WeakPolarHBondContact O-CG 3.34Å; A362-M366 PolarHBondContact O-N 2.72Å; I363-M366 HydrophobicContact CG1-SD 4.46Å; I363-M366 PolarHBondContact O-N 3.48Å; M366-E368 PolarHBondContact O-N 2.68Å; M366-M369 HydrophobicContact CB-CE 4.28Å; M366-M369 HydrophobicContact CB-SD 4.28Å; M366-M369 HydrophobicContact CG-CE 3.8Å; M366-M369 HydrophobicContact CG-SD 4.32Å; M366-M369 WeakPolarHBondContact O-CB 3.14Å; M366-M369 WeakPolarHBondContact O-CG 3.22Å; M366-M369 PolarHBondContact O-N 3.46Å; M366-S391 VanDerWaalsContact CG-OG 3.24Å; M366-S391 WeakPolarHBondContact CG-OG 3.21Å; M366-F402 HydrophobicContact CE-CZ 4.47Å; M366-V431 HydrophobicContact CB-CG1 4.3Å; M366-V431 HydrophobicContact CE-CG1 4.39Å; M366-L434 HydrophobicContact CE-CB 3.95Å; M366-L434 HydrophobicContact CE-CD2 3.67Å; M366-L434 HydrophobicContact CE-CG 3.81Å; M366-C435 WeakPolarHBondContact CB-SG 3.2Å; M366-C435 VanDerWaalsContact CE-SG 3.59Å; M366-I438 HydrophobicContact CE-CD1 4.23Å; M366-I438 HydrophobicContact SD-CD1 4.02Å
367G81.3Confident85.6Confident15 Ų1548.6 Ų48.616%0.15523%0.225CC..THydrogen-bonded Turntrans-64-21.8176.700000115.5I363 M364 H365I363-G367 PolarHBondContact O-N 2.94Å; M364-G367 PolarHBondContact O-N 3.44Å; H365-G367 PolarHBondContact O-N 3.36Å
368E85.7Confident85.1Confident30 Ų3055.5 Ų55.514%0.1426%0.257CS..THydrogen-bonded Turntrans-100.21.3179.1-69.7-54.4120.600113.6Y317 K318 H365 M366 K370 E387Y317-E368 HydrophobicContact CD1-CG 4.32Å; K318-E368 WeakPolarHBondContact CB-OE1 3.02Å; K318-E368 PolarHBondContact N-OE1 2.97Å; H365-E368 PolarHBondContact O-N 3.01Å; M366-E368 PolarHBondContact O-N 2.68Å; E368-K370 PolarHBondContact O-N 2.85Å; E368-K370 VanDerWaalsContact O-N 3.15Å; E368-E387 HydrophobicContact CB-CB 4.31Å; E368-E387 HydrophobicContact CB-CG 3.74Å
369M87.3Confident84.9Confident24 Ų2455.3 Ų55.312%0.11826%0.257CS..  trans-60.8116.5173-69.2173175.700110.4H365 M366 F371 A388 F402 V431H365-M369 PolarHBondContact O-N 3.12Å; M366-M369 HydrophobicContact CB-CE 4.28Å; M366-M369 HydrophobicContact CB-SD 4.28Å; M366-M369 HydrophobicContact CG-CE 3.8Å; M366-M369 HydrophobicContact CG-SD 4.32Å; M366-M369 WeakPolarHBondContact O-CB 3.14Å; M366-M369 WeakPolarHBondContact O-CG 3.22Å; M366-M369 PolarHBondContact O-N 3.46Å; M369-F371 HydrophobicContact CB-CE2 3.68Å; M369-F371 HydrophobicContact CB-CZ 3.98Å; M369-A388 HydrophobicContact CE-CB 3.86Å; M369-A388 HydrophobicContact CG-CB 4.48Å; M369-F402 HydrophobicContact CE-CE1 3.62Å; M369-F402 HydrophobicContact CE-CZ 4.3Å; M369-F402 HydrophobicContact SD-CE1 4.26Å; M369-V431 HydrophobicContact SD-CG1 4.23Å; M369-V431 HydrophobicContact SD-CG2 4.42Å
370K87.3Confident84.8Confident126 Ų12655.7 Ų55.755%0.54826%0.26SS..  trans-98.5138.8179.4-68.8166.1-168.7166.50110.5E368 D383E368-K370 PolarHBondContact O-N 2.85Å; E368-K370 VanDerWaalsContact O-N 3.15Å; K370-D383 HydrophobicContact CB-CB 3.92Å; K370-D383 PolarHBondContact O-N 2.76Å
371F89.1Confident84.8Confident30 Ų3058 Ų5813%0.13227%0.271CS..EExtended strand (participates in β ladder)trans-133.1146.3177.2-58.2-81000108.6M369 E381 L403 L407 L424 V427 V431M369-F371 HydrophobicContact CB-CE2 3.68Å; M369-F371 HydrophobicContact CB-CZ 3.98Å; F371-E381 CarbonylContact C-O 3.44Å; F371-E381 VanDerWaalsContact CA-O 3.3Å; F371-E381 WeakPolarHBondContact CA-O 3.01Å; F371-L403 HydrophobicContact CE1-CD2 4.39Å; F371-L407 HydrophobicContact CD1-CD2 3.9Å; F371-L407 HydrophobicContact CE1-CD2 4.06Å; F371-L424 HydrophobicContact CB-CD1 3.57Å; F371-L424 VanDerWaalsContact O-CD1 3.31Å; F371-L424 WeakPolarHBondContact O-CD1 3.35Å; F371-V427 HydrophobicContact CD1-CG1 3.75Å; F371-V427 HydrophobicContact CD2-CG1 3.78Å; F371-V427 HydrophobicContact CE1-CG1 3.68Å; F371-V427 HydrophobicContact CE2-CG1 3.71Å; F371-V427 HydrophobicContact CG-CG1 3.8Å; F371-V427 HydrophobicContact CZ-CG1 3.66Å; F371-V431 HydrophobicContact CE2-CG2 3.97Å; F371-V431 HydrophobicContact CZ-CG2 4.16Å
372K89Confident84.8Confident81 Ų8159.8 Ų59.835%0.35228%0.284SS..EExtended strand (participates in β ladder)trans-125.2143.7179.256.3-169.6156.6100.30110.8E381 D383K372-E381 HydrophobicContact CD-CG 4.41Å; K372-E381 HydrophobicContact CG-CG 3.65Å; K372-E381 PolarHBondContact N-O 3.37Å; K372-E381 IonicContact NZ-OE1 2.68Å; K372-E381 PolarHBondContact NZ-OE1 2.74Å; K372-E381 PolarHBondContact O-N 2.83Å; K372-D383 HydrophobicContact CB-CB 4.43Å; K372-D383 HydrophobicContact CD-CB 3.93Å; K372-D383 VanDerWaalsContact CD-OD1 3.31Å; K372-D383 WeakPolarHBondContact CD-OD1 3.47Å; K372-D383 WeakPolarHBondContact CE-OD1 3.41Å; K372-D383 HydrophobicContact CG-CB 4.11Å
373Q87.2Confident84.6Confident66 Ų6663.9 Ų63.931%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-85122.3-177.5-170.665.990.100110P375 E378 Q379 L424Q373-P375 VanDerWaalsContact O-CD 3.31Å; Q373-P375 WeakPolarHBondContact O-CD 3.18Å; Q373-E378 PolarHBondContact NE2-O 3.2Å; Q373-Q379 PolarHBondContact NE2-O 3.42Å; Q373-L424 HydrophobicContact CB-CB 4.13Å; Q373-L424 HydrophobicContact CB-CD2 4.14Å; Q373-L424 HydrophobicContact CG-CB 4.47Å
374R83.7Confident84.5Confident95 Ų9566 Ų6636%0.35833%0.329SS..  trans-67.1119.3174.2-70.6-173.6162.7-151.7-10.8111.3R376 E377 E378 Q379 E381R374-R376 PolarHBondContact O-N 3.38Å; R374-E377 HydrophobicContact CB-CB 4.35Å; R374-E377 WeakPolarHBondContact CD-OE2 3.43Å; R374-E377 IonicContact CZ-OE2 2.74Å; R374-E377 IonicContact NE-OE2 3.48Å; R374-E377 IonicContact NH1-OE2 2.77Å; R374-E377 PolarHBondContact NH1-OE2 3Å; R374-E377 PolarHBondContact O-N 2.76Å; R374-E378 PolarHBondContact O-N 2.64Å; R374-Q379 VanDerWaalsContact CB-O 3.25Å; R374-Q379 WeakPolarHBondContact CB-O 2.98Å; R374-Q379 WeakPolarHBondContact CG-O 3.37Å; R374-Q379 PolarHBondContact N-O 2.78Å; R374-E381 HydrophobicContact CG-CG 4.17Å; R374-E381 IonicContact CZ-OE2 3.75Å; R374-E381 IonicContact NE-OE2 3.67Å; R374-E381 PolarHBondContact NE-OE2 2.63Å; R374-E381 IonicContact NH2-OE2 2.85Å; R374-E381 PolarHBondContact NH2-OE2 3.2Å
375P79.6Confident84.7Confident135 Ų13568.5 Ų68.588%0.87735%0.345SS*.THydrogen-bonded Turntrans-66.8-5.2-171.4-24.935.3000117.3Q373Q373-P375 VanDerWaalsContact O-CD 3.31Å; Q373-P375 WeakPolarHBondContact O-CD 3.18Å
376R74.4Confident84.7Confident245 Ų24574 Ų7493%0.92537%0.374SS*.THydrogen-bonded Turntrans-117.1-23.6-179.2-71-173.3178.2-177.3-0.1114.8R374R374-R376 PolarHBondContact O-N 3.38Å
377E76.1Confident84.7Confident98 Ų9875.5 Ų75.546%0.45838%0.381SS..THydrogen-bonded Turntrans-113.9-12.1-168.6-61.4-178.9144.200112.1R374 Q379R374-E377 HydrophobicContact CB-CB 4.35Å; R374-E377 WeakPolarHBondContact CD-OE2 3.43Å; R374-E377 IonicContact CZ-OE2 2.74Å; R374-E377 IonicContact NE-OE2 3.48Å; R374-E377 IonicContact NH1-OE2 2.77Å; R374-E377 PolarHBondContact NH1-OE2 3Å; R374-E377 PolarHBondContact O-N 2.76Å; E377-Q379 HydrophobicContact CB-CB 4.24Å; E377-Q379 HydrophobicContact CB-CG 4.05Å; E377-Q379 PolarHBondContact O-N 2.65Å
378E79.1Confident85Confident145 Ų14575 Ų7568%0.67838%0.376SS*.  trans50.521.3-168.4-62.5-172.1174.600114Q373 R374 N423Q373-E378 PolarHBondContact NE2-O 3.2Å; R374-E378 PolarHBondContact O-N 2.64Å; E378-N423 VanDerWaalsContact O-CA 3.28Å; E378-N423 WeakPolarHBondContact O-CA 3.21Å; E378-N423 WeakPolarHBondContact O-CB 3.19Å
379Q84.8Confident85.1Confident50 Ų5075.4 Ų75.423%0.23438%0.379CS..  trans-89.7143.8170.9-63.2175.54500111Q373 R374 E377 S421 Q422Q373-Q379 PolarHBondContact NE2-O 3.42Å; R374-Q379 VanDerWaalsContact CB-O 3.25Å; R374-Q379 WeakPolarHBondContact CB-O 2.98Å; R374-Q379 WeakPolarHBondContact CG-O 3.37Å; R374-Q379 PolarHBondContact N-O 2.78Å; E377-Q379 HydrophobicContact CB-CB 4.24Å; E377-Q379 HydrophobicContact CB-CG 4.05Å; E377-Q379 PolarHBondContact O-N 2.65Å; Q379-S421 VanDerWaalsContact CD-CB 3.41Å; Q379-S421 PolarHBondContact OE1-OG 3.04Å; Q379-Q422 CarbonylContact C-O 3.58Å; Q379-Q422 WeakPolarHBondContact CA-O 3.19Å
380A87.7Confident85.2Confident9 Ų976 Ų767%0.07438%0.382CS..EExtended strand (participates in β ladder)trans-78.6151.5171.600000111.6L407 Q422 V427A380-L407 HydrophobicContact CB-CD2 4.01Å; A380-Q422 PolarHBondContact N-O 3.15Å; A380-V427 HydrophobicContact CB-CB 4.39Å; A380-V427 HydrophobicContact CB-CG2 3.75Å
381E87.2Confident85.2Confident52 Ų5270 Ų7024%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-138.1155.4163.462-178.3-163.400110.2F371 K372 R374F371-E381 CarbonylContact C-O 3.44Å; F371-E381 VanDerWaalsContact CA-O 3.3Å; F371-E381 WeakPolarHBondContact CA-O 3.01Å; K372-E381 HydrophobicContact CD-CG 4.41Å; K372-E381 HydrophobicContact CG-CG 3.65Å; K372-E381 PolarHBondContact N-O 3.37Å; K372-E381 IonicContact NZ-OE1 2.68Å; K372-E381 PolarHBondContact NZ-OE1 2.74Å; K372-E381 PolarHBondContact O-N 2.83Å; R374-E381 HydrophobicContact CG-CG 4.17Å; R374-E381 IonicContact CZ-OE2 3.75Å; R374-E381 IonicContact NE-OE2 3.67Å; R374-E381 PolarHBondContact NE-OE2 2.63Å; R374-E381 IonicContact NH2-OE2 2.85Å; R374-E381 PolarHBondContact NH2-OE2 3.2Å
382S86.2Confident85.3Confident38 Ų3868.6 Ų68.627%0.26635%0.35SS..EExtended strand (participates in β ladder)trans-68.414017849.10000111.9
383D86.2Confident85.2Confident87 Ų8772.4 Ų72.447%0.46536%0.362SS..SBendtrans-110.772.7178.2-165.740.3000109.8K370 K372K370-D383 HydrophobicContact CB-CB 3.92Å; K370-D383 PolarHBondContact O-N 2.76Å; K372-D383 HydrophobicContact CB-CB 4.43Å; K372-D383 HydrophobicContact CD-CB 3.93Å; K372-D383 VanDerWaalsContact CD-OD1 3.31Å; K372-D383 WeakPolarHBondContact CD-OD1 3.47Å; K372-D383 WeakPolarHBondContact CE-OD1 3.41Å; K372-D383 HydrophobicContact CG-CB 4.11Å
384G85.1Confident85.2Confident54 Ų5469.5 Ų69.556%0.55735%0.348SS*.  trans95.5162.6-165.400000112.9
385T88.1Confident85.5Confident56 Ų5665 Ų6534%0.34433%0.332SS..SBendtrans-122.7-17.1176.5660000114.2E387 A388 D389 L403T385-E387 VanDerWaalsContact C-N 3.29Å; T385-E387 PolarHBondContact O-N 2.67Å; T385-A388 CarbonylContact O-C 3.56Å; T385-A388 VanDerWaalsContact O-CA 3.3Å; T385-A388 WeakPolarHBondContact O-CA 3.21Å; T385-A388 VanDerWaalsContact O-CB 3.31Å; T385-A388 WeakPolarHBondContact O-CB 3Å; T385-A388 PolarHBondContact O-N 2.65Å; T385-D389 WeakPolarHBondContact CB-OD2 3.07Å; T385-D389 PolarHBondContact O-N 2.75Å; T385-D389 PolarHBondContact OG1-OD2 2.78Å; T385-L403 HydrophobicContact CG2-CD1 3.97Å
386D86.3Confident85.8Confident116 Ų11659.9 Ų59.962%0.6230%0.3SS*.Hα-helixtrans-46.4-44-171-49.7-18.6000114.9D389 M390D386-D389 PolarHBondContact O-N 2.74Å; D386-M390 HydrophobicContact CB-CE 4.44Å; D386-M390 WeakPolarHBondContact O-CE 3.29Å; D386-M390 WeakPolarHBondContact O-CG 3.24Å; D386-M390 PolarHBondContact O-N 3.07Å
387E86.8Confident86.6Confident34 Ų3449.2 Ų49.216%0.15926%0.262CS..Hα-helixtrans-71.9-33.6177.6-52-57.7144.200113K312 H365 E368 T385 M390 S391K312-E387 IonicContact NZ-OE1 2.63Å; K312-E387 PolarHBondContact NZ-OE1 3.08Å; K312-E387 IonicContact NZ-OE2 3.4Å; K312-E387 PolarHBondContact NZ-OE2 3.48Å; H365-E387 IonicContact CE1-OE2 2.64Å; H365-E387 IonicContact CG-OE2 3.6Å; H365-E387 IonicContact ND1-OE2 2.67Å; H365-E387 PolarHBondContact ND1-OE2 3.48Å; E368-E387 HydrophobicContact CB-CB 4.31Å; E368-E387 HydrophobicContact CB-CG 3.74Å; T385-E387 VanDerWaalsContact C-N 3.29Å; T385-E387 PolarHBondContact O-N 2.67Å; E387-M390 WeakPolarHBondContact OE1-CE 2.99Å; E387-M390 WeakPolarHBondContact OE2-CE 3.03Å; E387-S391 VanDerWaalsContact O-CB 3.23Å; E387-S391 WeakPolarHBondContact O-CB 3.43Å; E387-S391 PolarHBondContact O-N 3.06Å
388A88.2Confident87.2Confident4 Ų449 Ų493%0.03326%0.263CS..Hα-helixtrans-70-40.4172.100000110.9M369 T385 S391 C392 T399 L403M369-A388 HydrophobicContact CE-CB 3.86Å; M369-A388 HydrophobicContact CG-CB 4.48Å; T385-A388 CarbonylContact O-C 3.56Å; T385-A388 VanDerWaalsContact O-CA 3.3Å; T385-A388 WeakPolarHBondContact O-CA 3.21Å; T385-A388 VanDerWaalsContact O-CB 3.31Å; T385-A388 WeakPolarHBondContact O-CB 3Å; T385-A388 PolarHBondContact O-N 2.65Å; A388-S391 PolarHBondContact O-N 2.79Å; A388-C392 VanDerWaalsContact O-CB 3.22Å; A388-C392 WeakPolarHBondContact O-CB 3.44Å; A388-C392 PolarHBondContact O-N 3.02Å; A388-C392 PolarHBondContact O-SG 2.75Å; A388-T399 HydrophobicContact CB-CG2 3.79Å; A388-L403 HydrophobicContact CB-CD1 4.28Å; A388-L403 HydrophobicContact CB-CD2 3.99Å; A388-L403 HydrophobicContact CB-CG 4.27Å
389D88.8Confident87.7Confident39 Ų3943.1 Ų43.121%0.20924%0.237CC..Hα-helixtrans-63.5-43.9174.8-75-60.6000112.1T385 D386 R393 T399T385-D389 WeakPolarHBondContact CB-OD2 3.07Å; T385-D389 PolarHBondContact O-N 2.75Å; T385-D389 PolarHBondContact OG1-OD2 2.78Å; D386-D389 PolarHBondContact O-N 2.74Å; D389-R393 WeakPolarHBondContact O-CB 3.17Å; D389-R393 WeakPolarHBondContact O-CD 3.38Å; D389-R393 WeakPolarHBondContact O-CG 3.45Å; D389-R393 PolarHBondContact O-N 2.66Å; D389-T399 WeakPolarHBondContact OD1-CB 3.45Å; D389-T399 WeakPolarHBondContact OD1-CG2 3.26Å; D389-T399 PolarHBondContact OD1-OG1 2.76Å
390M88.2Confident88Confident37 Ų3743.9 Ų43.918%0.18225%0.253CS..Hα-helixtrans-62.6-44.6173.6-74.8-177.3-75.700111.8F309 H365 D386 E387 L394F309-M390 HydrophobicContact CB-CG 4.29Å; F309-M390 HydrophobicContact CB-SD 4.03Å; F309-M390 HydrophobicContact CG-CG 4.44Å; H365-M390 VanDerWaalsContact CE1-SD 3.52Å; D386-M390 HydrophobicContact CB-CE 4.44Å; D386-M390 WeakPolarHBondContact O-CE 3.29Å; D386-M390 WeakPolarHBondContact O-CG 3.24Å; D386-M390 PolarHBondContact O-N 3.07Å; E387-M390 WeakPolarHBondContact OE1-CE 2.99Å; E387-M390 WeakPolarHBondContact OE2-CE 3.03Å; M390-L394 WeakPolarHBondContact O-CG 3.18Å; M390-L394 PolarHBondContact O-N 2.85Å
391S88.4Confident88.1Confident0 Ų046.9 Ų46.90%027%0.267CS..Hα-helixtrans-65.5-44.9178.7-167.60000112.8A362 M366 E387 A388 R393 L394 M395A362-S391 PolarHBondContact O-OG 3.05Å; M366-S391 VanDerWaalsContact CG-OG 3.24Å; M366-S391 WeakPolarHBondContact CG-OG 3.21Å; E387-S391 VanDerWaalsContact O-CB 3.23Å; E387-S391 WeakPolarHBondContact O-CB 3.43Å; E387-S391 PolarHBondContact O-N 3.06Å; A388-S391 PolarHBondContact O-N 2.79Å; S391-R393 PolarHBondContact O-N 2.59Å; S391-L394 PolarHBondContact O-N 2.68Å; S391-M395 WeakPolarHBondContact O-CG 3.22Å; S391-M395 PolarHBondContact O-N 3.41Å; S391-M395 VanDerWaalsContact O-N 3.09Å; S391-M395 WeakPolarHBondContact OG-CE 3.08Å
392C90.2Very high88.2Confident0 Ų044.4 Ų44.40%026%0.256CS..Hα-helixtrans-67.6-35.7-179.3-66.60000112.1A388 M395 A396 I397A388-C392 VanDerWaalsContact O-CB 3.22Å; A388-C392 WeakPolarHBondContact O-CB 3.44Å; A388-C392 PolarHBondContact O-N 3.02Å; A388-C392 PolarHBondContact O-SG 2.75Å; C392-M395 CarbonylContact O-C 3.53Å; C392-M395 PolarHBondContact O-N 3.43Å; C392-A396 WeakPolarHBondContact O-CA 3.39Å; C392-A396 PolarHBondContact O-N 2.64Å; C392-I397 HydrophobicContact CB-CD1 4.42Å; C392-I397 HydrophobicContact CB-CG1 3.71Å; C392-I397 PolarHBondContact O-N 3.2Å
393R87.2Confident88.5Confident160 Ų16043.4 Ų43.460%0.60425%0.247SC*.Hα-helixtrans-62-42.3171.4-72.7168.2-164.1-177.77.4112.6D389 S391 M395 A396D389-R393 WeakPolarHBondContact O-CB 3.17Å; D389-R393 WeakPolarHBondContact O-CD 3.38Å; D389-R393 WeakPolarHBondContact O-CG 3.45Å; D389-R393 PolarHBondContact O-N 2.66Å; S391-R393 PolarHBondContact O-N 2.59Å; R393-M395 VanDerWaalsContact C-N 3.27Å; R393-M395 PolarHBondContact O-N 2.72Å; R393-A396 PolarHBondContact O-N 2.72Å
394L87.8Confident88.7Confident6 Ų645.4 Ų45.43%0.03125%0.252CS..Hα-helixtrans-67.2-28.9177.1-68.3166.4000112.4L308 F309 K358 A361 A362 M390 S391 N624L308-L394 HydrophobicContact CD2-CD2 4.31Å; F309-L394 HydrophobicContact CD2-CD1 4.49Å; F309-L394 HydrophobicContact CD2-CD2 4.1Å; F309-L394 HydrophobicContact CD2-CG 4.2Å; F309-L394 HydrophobicContact CE2-CD2 4.41Å; K358-L394 HydrophobicContact CB-CB 4.43Å; K358-L394 HydrophobicContact CB-CD2 4.27Å; K358-L394 HydrophobicContact CG-CD2 4.08Å; A361-L394 HydrophobicContact CB-CD1 3.81Å; A362-L394 HydrophobicContact CB-CB 3.9Å; A362-L394 HydrophobicContact CB-CD1 4.37Å; M390-L394 WeakPolarHBondContact O-CG 3.18Å; M390-L394 PolarHBondContact O-N 2.85Å; S391-L394 PolarHBondContact O-N 2.68Å; L394-N624 PolarHBondContact O-ND2 2.76Å
395M88.5Confident88.9Confident1 Ų143.2 Ų43.21%0.00523%0.228CC..Hα-helixtrans-89-6.3174.5-67.7-171.4-68.900114.2L359 A362 S391 C392 R393 I397 F402 I438 L618 S621 I627L359-M395 HydrophobicContact CD2-CG 4.1Å; A362-M395 HydrophobicContact CB-CG 3.83Å; A362-M395 HydrophobicContact CB-SD 4.34Å; S391-M395 WeakPolarHBondContact O-CG 3.22Å; S391-M395 PolarHBondContact O-N 3.41Å; S391-M395 VanDerWaalsContact O-N 3.09Å; S391-M395 WeakPolarHBondContact OG-CE 3.08Å; C392-M395 CarbonylContact O-C 3.53Å; C392-M395 PolarHBondContact O-N 3.43Å; R393-M395 VanDerWaalsContact C-N 3.27Å; R393-M395 PolarHBondContact O-N 2.72Å; M395-I397 HydrophobicContact CB-CD1 4.21Å; M395-I397 HydrophobicContact CB-CG1 4.15Å; M395-I397 HydrophobicContact CB-CG2 4.43Å; M395-I397 HydrophobicContact CE-CD1 3.79Å; M395-F402 HydrophobicContact CE-CE2 4.32Å; M395-F402 HydrophobicContact CE-CZ 4.37Å; M395-I438 HydrophobicContact SD-CD1 4.01Å; M395-L618 HydrophobicContact CE-CD2 4.49Å; M395-L618 HydrophobicContact SD-CD2 3.81Å; M395-S621 PolarHBondContact O-OG 3.46Å; M395-I627 HydrophobicContact CB-CD1 3.56Å; M395-I627 HydrophobicContact CG-CD1 3.55Å; M395-I627 HydrophobicContact SD-CD1 3.77Å
396A87.5Confident89Confident27 Ų2740.6 Ų40.622%0.22321%0.212CC..THydrogen-bonded Turntrans50.749.8-171.700000114C392 R393 S621 D623 N624C392-A396 WeakPolarHBondContact O-CA 3.39Å; C392-A396 PolarHBondContact O-N 2.64Å; R393-A396 PolarHBondContact O-N 2.72Å; A396-S621 WeakPolarHBondContact O-CA 3.24Å; A396-S621 PolarHBondContact O-OG 2.72Å; A396-S621 VanDerWaalsContact O-OG 3.14Å; A396-D623 HydrophobicContact CB-CB 3.87Å; A396-N624 HydrophobicContact CB-CB 4.07Å
397I89.6Confident89.2Confident21 Ų2136.2 Ų36.211%0.10819%0.189CC..  trans-125.1162.3175.866.3-179000111.5C392 M395 F402 V617 L618C392-I397 HydrophobicContact CB-CD1 4.42Å; C392-I397 HydrophobicContact CB-CG1 3.71Å; C392-I397 PolarHBondContact O-N 3.2Å; M395-I397 HydrophobicContact CB-CD1 4.21Å; M395-I397 HydrophobicContact CB-CG1 4.15Å; M395-I397 HydrophobicContact CB-CG2 4.43Å; M395-I397 HydrophobicContact CE-CD1 3.79Å; I397-F402 HydrophobicContact CD1-CB 4.12Å; I397-F402 HydrophobicContact CD1-CD2 3.42Å; I397-F402 VanDerWaalsContact CD1-CD2 3.42Å; I397-F402 HydrophobicContact CD1-CE2 4Å; I397-F402 HydrophobicContact CD1-CG 3.91Å; I397-V617 HydrophobicContact CB-CG1 4.3Å; I397-V617 HydrophobicContact CD1-CG1 4.4Å; I397-L618 HydrophobicContact CD1-CD2 3.82Å
398D89.7Confident89.3Confident93 Ų9339.7 Ų39.750%0.49720%0.203SC..  trans-76.6128.1174.4179.979.7000112.4A400 D401 F402D398-A400 PolarHBondContact O-N 2.7Å; D398-A400 WeakPolarHBondContact OD2-CA 2.86Å; D398-A400 VanDerWaalsContact OD2-CB 3.31Å; D398-A400 WeakPolarHBondContact OD2-CB 3.32Å; D398-A400 PolarHBondContact OD2-N 2.62Å; D398-D401 PolarHBondContact OD2-N 3.26Å; D398-F402 VanDerWaalsContact O-CB 3.25Å; D398-F402 WeakPolarHBondContact O-CB 3.06Å; D398-F402 PolarHBondContact O-N 2.73Å; D398-F402 VanDerWaalsContact O-N 3.11Å
399T89.5Confident89.3Confident21 Ų2139.8 Ų39.813%0.12920%0.203CC..Hα-helixtrans-65.9-34.9-178.8-40.40000112.8A388 D389 L403A388-T399 HydrophobicContact CB-CG2 3.79Å; D389-T399 WeakPolarHBondContact OD1-CB 3.45Å; D389-T399 WeakPolarHBondContact OD1-CG2 3.26Å; D389-T399 PolarHBondContact OD1-OG1 2.76Å; T399-L403 HydrophobicContact CG2-CD1 3.96Å; T399-L403 HydrophobicContact CG2-CG 4.28Å; T399-L403 WeakPolarHBondContact O-CB 3.18Å; T399-L403 WeakPolarHBondContact O-CG 2.94Å; T399-L403 PolarHBondContact O-N 2.6Å
400A90.2Very high89Confident67 Ų6742.8 Ų42.855%0.55421%0.212SC*.Hα-helixtrans-74.1-44.7-173.800000111.5D398 K404D398-A400 PolarHBondContact O-N 2.7Å; D398-A400 WeakPolarHBondContact OD2-CA 2.86Å; D398-A400 VanDerWaalsContact OD2-CB 3.31Å; D398-A400 WeakPolarHBondContact OD2-CB 3.32Å; D398-A400 PolarHBondContact OD2-N 2.62Å; A400-K404 WeakPolarHBondContact O-CB 3.19Å; A400-K404 PolarHBondContact O-N 3.4Å
401D89.7Confident88.6Confident72 Ų7243.6 Ų43.639%0.38522%0.219SC..Hα-helixtrans-68.8-34.2173.1-90.9-28.9000112.2D398 K404 A405 V617D398-D401 PolarHBondContact OD2-N 3.26Å; D401-K404 WeakPolarHBondContact OD1-CD 3.44Å; D401-K404 WeakPolarHBondContact OD1-CE 3.23Å; D401-K404 IonicContact OD1-NZ 2.79Å; D401-K404 PolarHBondContact OD1-NZ 3.37Å; D401-A405 VanDerWaalsContact O-CB 3.26Å; D401-A405 WeakPolarHBondContact O-CB 3.15Å; D401-A405 PolarHBondContact O-N 2.75Å; D401-V617 HydrophobicContact CB-CG2 4.3Å
402F90.9Very high87.8Confident0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-62.9-50.9172.5-178.9-98.2000112.7M366 M369 M395 I397 D398 K404 A405 L406 L434 V614 V617M366-F402 HydrophobicContact CE-CZ 4.47Å; M369-F402 HydrophobicContact CE-CE1 3.62Å; M369-F402 HydrophobicContact CE-CZ 4.3Å; M369-F402 HydrophobicContact SD-CE1 4.26Å; M395-F402 HydrophobicContact CE-CE2 4.32Å; M395-F402 HydrophobicContact CE-CZ 4.37Å; I397-F402 HydrophobicContact CD1-CB 4.12Å; I397-F402 HydrophobicContact CD1-CD2 3.42Å; I397-F402 VanDerWaalsContact CD1-CD2 3.42Å; I397-F402 HydrophobicContact CD1-CE2 4Å; I397-F402 HydrophobicContact CD1-CG 3.91Å; D398-F402 VanDerWaalsContact O-CB 3.25Å; D398-F402 WeakPolarHBondContact O-CB 3.06Å; D398-F402 PolarHBondContact O-N 2.73Å; D398-F402 VanDerWaalsContact O-N 3.11Å; F402-K404 VanDerWaalsContact C-N 3.34Å; F402-K404 PolarHBondContact O-N 2.7Å; F402-A405 PolarHBondContact O-N 3.32Å; F402-L406 HydrophobicContact CD1-CD1 3.94Å; F402-L406 HydrophobicContact CE1-CD1 3.41Å; F402-L406 VanDerWaalsContact CE1-CD1 3.41Å; F402-L406 HydrophobicContact CE1-CG 4.42Å; F402-L406 HydrophobicContact CZ-CD1 3.83Å; F402-L406 PolarHBondContact O-N 2.72Å; F402-L434 HydrophobicContact CE2-CD2 3.87Å; F402-L434 HydrophobicContact CZ-CD2 3.92Å; F402-V614 HydrophobicContact CD2-CG1 3.8Å; F402-V614 HydrophobicContact CE2-CG1 3.52Å; F402-V614 HydrophobicContact CZ-CG1 4.44Å; F402-V617 HydrophobicContact CB-CG1 4.34Å
403L91.1Very high87Confident17 Ų1751.6 Ų51.69%0.08926%0.261CS..Hα-helixtrans-64.3-38177.2-73.8174.8000112F371 T385 A388 T399 L406 L407F371-L403 HydrophobicContact CE1-CD2 4.39Å; T385-L403 HydrophobicContact CG2-CD1 3.97Å; A388-L403 HydrophobicContact CB-CD1 4.28Å; A388-L403 HydrophobicContact CB-CD2 3.99Å; A388-L403 HydrophobicContact CB-CG 4.27Å; T399-L403 HydrophobicContact CG2-CD1 3.96Å; T399-L403 HydrophobicContact CG2-CG 4.28Å; T399-L403 WeakPolarHBondContact O-CB 3.18Å; T399-L403 WeakPolarHBondContact O-CG 2.94Å; T399-L403 PolarHBondContact O-N 2.6Å; L403-L406 PolarHBondContact O-N 2.7Å; L403-L407 WeakPolarHBondContact O-CB 2.97Å; L403-L407 VanDerWaalsContact O-CG 3.26Å; L403-L407 WeakPolarHBondContact O-CG 3.3Å; L403-L407 PolarHBondContact O-N 2.73Å
404K91.1Very high86.2Confident128 Ų12847.5 Ų47.556%0.55727%0.269SS*.Hα-helixtrans-62.7-42.6174.1171.4179152.7-154.50111.9A400 D401 F402 K408A400-K404 WeakPolarHBondContact O-CB 3.19Å; A400-K404 PolarHBondContact O-N 3.4Å; D401-K404 WeakPolarHBondContact OD1-CD 3.44Å; D401-K404 WeakPolarHBondContact OD1-CE 3.23Å; D401-K404 IonicContact OD1-NZ 2.79Å; D401-K404 PolarHBondContact OD1-NZ 3.37Å; F402-K404 VanDerWaalsContact C-N 3.34Å; F402-K404 PolarHBondContact O-N 2.7Å; K404-K408 CarbonylContact O-C 3.57Å; K404-K408 VanDerWaalsContact O-C 3.3Å; K404-K408 WeakPolarHBondContact O-CA 2.89Å; K404-K408 PolarHBondContact O-N 2.76Å
405A89.5Confident85.4Confident8 Ų851.3 Ų51.37%0.06630%0.301CS..Hα-helixtrans-67.1-32.8176.400000113D401 F402 P409 N611 V614 V617D401-A405 VanDerWaalsContact O-CB 3.26Å; D401-A405 WeakPolarHBondContact O-CB 3.15Å; D401-A405 PolarHBondContact O-N 2.75Å; F402-A405 PolarHBondContact O-N 3.32Å; A405-P409 WeakPolarHBondContact O-CA 2.91Å; A405-P409 WeakPolarHBondContact O-CB 3.25Å; A405-P409 WeakPolarHBondContact O-CD 3.3Å; A405-N611 PolarHBondContact O-ND2 2.85Å; A405-V614 HydrophobicContact CB-CB 4.33Å; A405-V614 HydrophobicContact CB-CG2 3.6Å; A405-V617 HydrophobicContact CB-CG2 4.26Å
406L89.6Confident84.9Confident1 Ų158.3 Ų58.31%0.00533%0.334CS..Hα-helixtrans-71.8-49.4172.4-77.3171.1000112.8F402 L403 V431 V614F402-L406 HydrophobicContact CD1-CD1 3.94Å; F402-L406 HydrophobicContact CE1-CD1 3.41Å; F402-L406 VanDerWaalsContact CE1-CD1 3.41Å; F402-L406 HydrophobicContact CE1-CG 4.42Å; F402-L406 HydrophobicContact CZ-CD1 3.83Å; F402-L406 PolarHBondContact O-N 2.72Å; L403-L406 PolarHBondContact O-N 2.7Å; L406-V431 HydrophobicContact CD1-CG2 3.91Å; L406-V431 HydrophobicContact CD2-CG2 3.89Å; L406-V614 HydrophobicContact CD2-CG2 3.93Å; L406-V614 HydrophobicContact CG-CG2 3.98Å
407L90.7Very high84.5Confident25 Ų2560.5 Ų60.513%0.13134%0.336CS..Hα-helixtrans-78.7-34.9-173.2-66.2173.8000113F371 A380 L403 S421 Q422 V427F371-L407 HydrophobicContact CD1-CD2 3.9Å; F371-L407 HydrophobicContact CE1-CD2 4.06Å; A380-L407 HydrophobicContact CB-CD2 4.01Å; L403-L407 WeakPolarHBondContact O-CB 2.97Å; L403-L407 VanDerWaalsContact O-CG 3.26Å; L403-L407 WeakPolarHBondContact O-CG 3.3Å; L403-L407 PolarHBondContact O-N 2.73Å; L407-S421 WeakPolarHBondContact O-CA 3.34Å; L407-Q422 PolarHBondContact O-N 3.3Å; L407-V427 HydrophobicContact CD2-CG1 4.35Å; L407-V427 HydrophobicContact CD2-CG2 4.07Å
408K89.3Confident84.3Confident107 Ų10762.7 Ų62.747%0.46535%0.351SS..SBendtrans-139.859.7-174.3-59.4-167.3177.4-169.40112K404 S421K404-K408 CarbonylContact O-C 3.57Å; K404-K408 VanDerWaalsContact O-C 3.3Å; K404-K408 WeakPolarHBondContact O-CA 2.89Å; K404-K408 PolarHBondContact O-N 2.76Å; K408-S421 WeakPolarHBondContact CE-OG 2.99Å
409P87.2Confident84.1Confident5 Ų563.7 Ų63.73%0.03236%0.356CS..  trans-53.9143.9176.722.3-34.6000113.2A405 V411 N419 K420 Q422 N611A405-P409 WeakPolarHBondContact O-CA 2.91Å; A405-P409 WeakPolarHBondContact O-CB 3.25Å; A405-P409 WeakPolarHBondContact O-CD 3.3Å; P409-V411 HydrophobicContact CB-CG2 4.29Å; P409-N419 WeakPolarHBondContact O-CA 3Å; P409-K420 VanDerWaalsContact CD-O 3.25Å; P409-K420 WeakPolarHBondContact CD-O 3.42Å; P409-K420 PolarHBondContact O-N 2.79Å; P409-Q422 HydrophobicContact CG-CG 3.96Å; P409-Q422 VanDerWaalsContact CG-NE2 3.33Å; P409-N611 WeakPolarHBondContact CB-OD1 3.32Å
410R83.5Confident83.9Confident102 Ų10267.8 Ų67.839%0.38537%0.372SS..EExtended strand (participates in β ladder)trans-87.7107.5173-168.7-168.7-169.7-169.24108.1W417 N419 S613 E638R410-W417 HydrophobicContact CG-CB 4.24Å; R410-W417 HydrophobicContact CG-CD2 4.4Å; R410-W417 HydrophobicContact CG-CE3 3.81Å; R410-N419 WeakPolarHBondContact CG-OD1 2.95Å; R410-S613 PolarHBondContact N-OG 3.14Å; R410-S613 PolarHBondContact O-OG 2.71Å; R410-E638 IonicContact CZ-OE1 3.5Å; R410-E638 IonicContact NE-OE1 2.64Å; R410-E638 IonicContact NH1-OE1 2.67Å; R410-E638 PolarHBondContact NH1-OE1 2.96Å; R410-E638 IonicContact NH1-OE2 3.81Å
411V80.2Confident83.8Confident54 Ų5466.3 Ų66.333%0.32736%0.357SS..EExtended strand (participates in β ladder)trans-111.8139-174.6-176.80000109.5P409 V418 K420P409-V411 HydrophobicContact CB-CG2 4.29Å; V411-V418 PolarHBondContact N-O 3.29Å; V411-V418 PolarHBondContact O-N 3.35Å; V411-K420 HydrophobicContact CG2-CB 4.49Å
412K71.8Confident83.7Confident76 Ų7663.8 Ų63.833%0.3334%0.344SS..EExtended strand (participates in β ladder)trans-83.3122.6176.3-164.2178.6178.3-176.40110.6G414 E416 W417K412-G414 VanDerWaalsContact CE-O 3.32Å; K412-G414 WeakPolarHBondContact CE-O 3.13Å; K412-E416 CarbonylContact C-O 3.37Å; K412-E416 VanDerWaalsContact CA-O 3.31Å; K412-E416 WeakPolarHBondContact CA-O 2.97Å; K412-E416 WeakPolarHBondContact CG-O 3.03Å; K412-W417 HydrophobicContact CB-CD2 4.23Å; K412-W417 HydrophobicContact CB-CE3 3.88Å; K412-W417 HydrophobicContact CB-CH2 4.02Å; K412-W417 HydrophobicContact CB-CZ2 4.29Å; K412-W417 HydrophobicContact CB-CZ3 3.79Å; K412-W417 HydrophobicContact CD-CZ2 4.18Å; K412-W417 HydrophobicContact CG-CD2 4.39Å; K412-W417 HydrophobicContact CG-CZ2 4.43Å
413V72.7Confident83.5Confident93 Ų9365.9 Ų65.956%0.56436%0.355SS*.EExtended strand (participates in β ladder)trans-114.2100.5177.2-176.10000108A415 E416 V418V413-A415 PolarHBondContact O-N 2.73Å; V413-E416 PolarHBondContact N-O 2.69Å; V413-E416 PolarHBondContact O-N 2.75Å; V413-E416 VanDerWaalsContact O-N 3.12Å; V413-V418 HydrophobicContact CB-CG2 4.13Å; V413-V418 HydrophobicContact CG2-CB 4.18Å; V413-V418 HydrophobicContact CG2-CG2 3.87Å
414G69.8Low83.4Confident74 Ų7467.7 Ų67.776%0.76336%0.364SS*.THydrogen-bonded Turntrans65.1-104.6-171.100000111.3K412K412-G414 VanDerWaalsContact CE-O 3.32Å; K412-G414 WeakPolarHBondContact CE-O 3.13Å
415A71.5Confident83Confident86 Ų8666.3 Ų66.371%0.71136%0.363SS*.THydrogen-bonded Turntrans-100.8-22.1175.900000113.8V413V413-A415 PolarHBondContact O-N 2.73Å
416E77.4Confident82.7Confident148 Ų14869.2 Ų69.269%0.69238%0.375SS*.EExtended strand (participates in β ladder)trans-93.3162-171.3-62.1-169.7162.900112.9K412 V413K412-E416 CarbonylContact C-O 3.37Å; K412-E416 VanDerWaalsContact CA-O 3.31Å; K412-E416 WeakPolarHBondContact CA-O 2.97Å; K412-E416 WeakPolarHBondContact CG-O 3.03Å; V413-E416 PolarHBondContact N-O 2.69Å; V413-E416 PolarHBondContact O-N 2.75Å; V413-E416 VanDerWaalsContact O-N 3.12Å
417W80.7Confident82.5Confident72 Ų7269.2 Ų69.227%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-110.8117.5177.7-74.3103.1000110.9R410 K412 Q637 E638R410-W417 HydrophobicContact CG-CB 4.24Å; R410-W417 HydrophobicContact CG-CD2 4.4Å; R410-W417 HydrophobicContact CG-CE3 3.81Å; K412-W417 HydrophobicContact CB-CD2 4.23Å; K412-W417 HydrophobicContact CB-CE3 3.88Å; K412-W417 HydrophobicContact CB-CH2 4.02Å; K412-W417 HydrophobicContact CB-CZ2 4.29Å; K412-W417 HydrophobicContact CB-CZ3 3.79Å; K412-W417 HydrophobicContact CD-CZ2 4.18Å; K412-W417 HydrophobicContact CG-CD2 4.39Å; K412-W417 HydrophobicContact CG-CZ2 4.43Å; W417-Q637 HydrophobicContact CH2-CB 3.67Å; W417-Q637 HydrophobicContact CZ3-CB 4.34Å; W417-E638 HydrophobicContact CH2-CB 4.38Å; W417-E638 HydrophobicContact CH2-CG 3.55Å; W417-E638 HydrophobicContact CZ2-CB 4.49Å; W417-E638 HydrophobicContact CZ2-CG 3.73Å; W417-E638 HydrophobicContact CZ3-CG 4.27Å
418V83.5Confident82.2Confident67 Ų6771.5 Ų71.541%0.40639%0.393SS..EExtended strand (participates in β ladder)trans-116.9128.8-175.2-174.30000110.2V411 V413 K420V411-V418 PolarHBondContact N-O 3.29Å; V411-V418 PolarHBondContact O-N 3.35Å; V413-V418 HydrophobicContact CB-CG2 4.13Å; V413-V418 HydrophobicContact CG2-CB 4.18Å; V413-V418 HydrophobicContact CG2-CG2 3.87Å; V418-K420 PolarHBondContact O-N 3.43Å
419N86.8Confident81.6Confident115 Ų11575 Ų7562%0.61540%0.404SS*.EExtended strand (participates in β ladder)trans-81.6108172.8-65.8-23.4000109.3P409 R410P409-N419 WeakPolarHBondContact O-CA 3Å; R410-N419 WeakPolarHBondContact CG-OD1 2.95Å
420K85.4Confident81.3Confident107 Ų10776 Ų7647%0.46541%0.41SS..  trans-101.3110.6-177.4-177-170.7170.7-164.50110.3P409 V411 V418 Q422P409-K420 VanDerWaalsContact CD-O 3.25Å; P409-K420 WeakPolarHBondContact CD-O 3.42Å; P409-K420 PolarHBondContact O-N 2.79Å; V411-K420 HydrophobicContact CG2-CB 4.49Å; V418-K420 PolarHBondContact O-N 3.43Å; K420-Q422 PolarHBondContact O-NE2 2.82Å
421S87.3Confident81.4Confident35 Ų3571.6 Ų71.625%0.24540%0.395CS..  trans-60.5138.6167.7-62.10000111.4Q379 L407 K408Q379-S421 VanDerWaalsContact CD-CB 3.41Å; Q379-S421 PolarHBondContact OE1-OG 3.04Å; L407-S421 WeakPolarHBondContact O-CA 3.34Å; K408-S421 WeakPolarHBondContact CE-OG 2.99Å
422Q87.4Confident81.3Confident20 Ų2070.5 Ų70.59%0.09339%0.394CS..  trans-98.6156.1176.7-57.4-50.9-66.100112Q379 A380 L407 P409 K420 Q426 V427Q379-Q422 CarbonylContact C-O 3.58Å; Q379-Q422 WeakPolarHBondContact CA-O 3.19Å; A380-Q422 PolarHBondContact N-O 3.15Å; L407-Q422 PolarHBondContact O-N 3.3Å; P409-Q422 HydrophobicContact CG-CG 3.96Å; P409-Q422 VanDerWaalsContact CG-NE2 3.33Å; K420-Q422 PolarHBondContact O-NE2 2.82Å; Q422-Q426 HydrophobicContact CB-CB 3.84Å; Q422-Q426 HydrophobicContact CG-CB 4.36Å; Q422-V427 HydrophobicContact CB-CG2 3.6Å; Q422-V427 HydrophobicContact CG-CG2 4.42Å
423N87.9Confident81.5Confident44 Ų4467.3 Ų67.324%0.23538%0.382CS..  trans-86.7174.8168.778.1-1.4000112.3E378 D425 Q426 V427E378-N423 VanDerWaalsContact O-CA 3.28Å; E378-N423 WeakPolarHBondContact O-CA 3.21Å; E378-N423 WeakPolarHBondContact O-CB 3.19Å; N423-D425 VanDerWaalsContact C-N 3.33Å; N423-D425 PolarHBondContact O-N 3.02Å; N423-D425 PolarHBondContact OD1-N 3.17Å; N423-Q426 PolarHBondContact O-N 3.32Å; N423-Q426 VanDerWaalsContact OD1-CB 3.26Å; N423-Q426 WeakPolarHBondContact OD1-CB 3.04Å; N423-Q426 VanDerWaalsContact OD1-CD 3.27Å; N423-Q426 WeakPolarHBondContact OD1-CG 2.94Å; N423-Q426 PolarHBondContact OD1-N 3.15Å; N423-Q426 PolarHBondContact OD1-OE1 3.15Å; N423-V427 WeakPolarHBondContact O-CG2 3.4Å; N423-V427 PolarHBondContact O-N 3.49Å; N423-V427 VanDerWaalsContact O-N 3.08Å
424L87.4Confident82Confident55 Ų5563.1 Ų63.129%0.28836%0.356SS..Hα-helixtrans-58.8-43.7-175177.959.7000112.4F371 Q373 V427 S428F371-L424 HydrophobicContact CB-CD1 3.57Å; F371-L424 VanDerWaalsContact O-CD1 3.31Å; F371-L424 WeakPolarHBondContact O-CD1 3.35Å; Q373-L424 HydrophobicContact CB-CB 4.13Å; Q373-L424 HydrophobicContact CB-CD2 4.14Å; Q373-L424 HydrophobicContact CG-CB 4.47Å; L424-V427 PolarHBondContact O-N 3.12Å; L424-S428 VanDerWaalsContact O-CB 3.31Å; L424-S428 WeakPolarHBondContact O-CB 2.94Å; L424-S428 PolarHBondContact O-N 3.26Å
425D82.8Confident82.6Confident99 Ų9960.1 Ų60.153%0.52932%0.324SS..Hα-helixtrans-64.9-47.9178.5-66.1-43.3000111.1N423 V427 S428 W429N423-D425 VanDerWaalsContact C-N 3.33Å; N423-D425 PolarHBondContact O-N 3.02Å; N423-D425 PolarHBondContact OD1-N 3.17Å; D425-V427 VanDerWaalsContact C-N 3.29Å; D425-V427 PolarHBondContact O-N 3.43Å; D425-S428 WeakPolarHBondContact O-CB 3.24Å; D425-S428 PolarHBondContact O-N 3.38Å; D425-S428 VanDerWaalsContact O-N 3.13Å; D425-W429 WeakPolarHBondContact O-CB 3.31Å; D425-W429 PolarHBondContact O-N 2.9Å
426Q83.9Confident82.9Confident69 Ų6959.1 Ų59.132%0.32230%0.303SS..Hα-helixtrans-57.1-39.5178.6-76.6160.3-2.400112.5Q422 N423 S430Q422-Q426 HydrophobicContact CB-CB 3.84Å; Q422-Q426 HydrophobicContact CG-CB 4.36Å; N423-Q426 PolarHBondContact O-N 3.32Å; N423-Q426 VanDerWaalsContact OD1-CB 3.26Å; N423-Q426 WeakPolarHBondContact OD1-CB 3.04Å; N423-Q426 VanDerWaalsContact OD1-CD 3.27Å; N423-Q426 WeakPolarHBondContact OD1-CG 2.94Å; N423-Q426 PolarHBondContact OD1-N 3.15Å; N423-Q426 PolarHBondContact OD1-OE1 3.15Å; Q426-S430 VanDerWaalsContact O-CB 3.28Å; Q426-S430 WeakPolarHBondContact O-CB 3.33Å; Q426-S430 PolarHBondContact O-N 3.44Å; Q426-S430 PolarHBondContact O-OG 3.44Å
427V86.3Confident83Confident0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-71.4-43175.6-179.90000111.3F371 A380 L407 Q422 N423 L424 D425 W429 S430 V431F371-V427 HydrophobicContact CD1-CG1 3.75Å; F371-V427 HydrophobicContact CD2-CG1 3.78Å; F371-V427 HydrophobicContact CE1-CG1 3.68Å; F371-V427 HydrophobicContact CE2-CG1 3.71Å; F371-V427 HydrophobicContact CG-CG1 3.8Å; F371-V427 HydrophobicContact CZ-CG1 3.66Å; A380-V427 HydrophobicContact CB-CB 4.39Å; A380-V427 HydrophobicContact CB-CG2 3.75Å; L407-V427 HydrophobicContact CD2-CG1 4.35Å; L407-V427 HydrophobicContact CD2-CG2 4.07Å; Q422-V427 HydrophobicContact CB-CG2 3.6Å; Q422-V427 HydrophobicContact CG-CG2 4.42Å; N423-V427 WeakPolarHBondContact O-CG2 3.4Å; N423-V427 PolarHBondContact O-N 3.49Å; N423-V427 VanDerWaalsContact O-N 3.08Å; L424-V427 PolarHBondContact O-N 3.12Å; D425-V427 VanDerWaalsContact C-N 3.29Å; D425-V427 PolarHBondContact O-N 3.43Å; V427-W429 PolarHBondContact O-N 3.19Å; V427-S430 WeakPolarHBondContact O-CB 3.4Å; V427-S430 PolarHBondContact O-N 3.47Å; V427-S430 VanDerWaalsContact O-N 3.17Å; V427-V431 HydrophobicContact CG1-CG2 4.48Å; V427-V431 WeakPolarHBondContact O-CG2 3.14Å; V427-V431 PolarHBondContact O-N 2.82Å
428S82.7Confident83.2Confident74 Ų7449 Ų4952%0.51726%0.261SS..Hα-helixtrans-58.7-45.2175.5-174.80000112.1L424 D425 G432L424-S428 VanDerWaalsContact O-CB 3.31Å; L424-S428 WeakPolarHBondContact O-CB 2.94Å; L424-S428 PolarHBondContact O-N 3.26Å; D425-S428 WeakPolarHBondContact O-CB 3.24Å; D425-S428 PolarHBondContact O-N 3.38Å; D425-S428 VanDerWaalsContact O-N 3.13Å; S428-G432 PolarHBondContact O-N 2.8Å
429W77.2Confident83.3Confident181 Ų18146.3 Ų46.369%0.68624%0.243SC*.Hα-helixtrans-64.2-42.5172.3-75.6112.6000112D425 V427 G432 A433D425-W429 WeakPolarHBondContact O-CB 3.31Å; D425-W429 PolarHBondContact O-N 2.9Å; V427-W429 PolarHBondContact O-N 3.19Å; W429-G432 PolarHBondContact O-N 3.48Å; W429-A433 WeakPolarHBondContact O-CB 3.32Å; W429-A433 PolarHBondContact O-N 2.69Å
430S81.7Confident82.8Confident24 Ų2442.6 Ų42.617%0.16823%0.229CC..Hα-helixtrans-61.4-47.4178.5-64.10000112.2Q426 V427 A433 L434Q426-S430 VanDerWaalsContact O-CB 3.28Å; Q426-S430 WeakPolarHBondContact O-CB 3.33Å; Q426-S430 PolarHBondContact O-N 3.44Å; Q426-S430 PolarHBondContact O-OG 3.44Å; V427-S430 WeakPolarHBondContact O-CB 3.4Å; V427-S430 PolarHBondContact O-N 3.47Å; V427-S430 VanDerWaalsContact O-N 3.17Å; S430-A433 PolarHBondContact O-N 3.26Å; S430-L434 VanDerWaalsContact O-CB 3.26Å; S430-L434 WeakPolarHBondContact O-CB 3.32Å; S430-L434 PolarHBondContact O-N 3.43Å
431V84.2Confident82.8Confident11 Ų1139.5 Ų39.57%0.06721%0.214CC..Hα-helixtrans-65-42.4175.9175.40000110.4M366 M369 F371 L406 V427 A433 L434 C435M366-V431 HydrophobicContact CB-CG1 4.3Å; M366-V431 HydrophobicContact CE-CG1 4.39Å; M369-V431 HydrophobicContact SD-CG1 4.23Å; M369-V431 HydrophobicContact SD-CG2 4.42Å; F371-V431 HydrophobicContact CE2-CG2 3.97Å; F371-V431 HydrophobicContact CZ-CG2 4.16Å; L406-V431 HydrophobicContact CD1-CG2 3.91Å; L406-V431 HydrophobicContact CD2-CG2 3.89Å; V427-V431 HydrophobicContact CG1-CG2 4.48Å; V427-V431 WeakPolarHBondContact O-CG2 3.14Å; V427-V431 PolarHBondContact O-N 2.82Å; V431-A433 PolarHBondContact O-N 2.73Å; V431-L434 PolarHBondContact O-N 2.86Å; V431-C435 PolarHBondContact O-N 3.48Å; V431-C435 PolarHBondContact O-SG 2.81Å; V431-C435 VanDerWaalsContact O-SG 3.36Å
432G78.5Confident82.8Confident30 Ų3038 Ų3831%0.30920%0.203SC..Hα-helixtrans-63.1-36.3176.700000114.2S428 W429 K436S428-G432 PolarHBondContact O-N 2.8Å; W429-G432 PolarHBondContact O-N 3.48Å; G432-K436 WeakPolarHBondContact O-CG 3.21Å
433A75.5Confident82.7Confident9 Ų937.3 Ų37.37%0.07420%0.2CC..Hα-helixtrans-70.8-43.9172.700000111.1W429 S430 V431 C435 K436 A437W429-A433 WeakPolarHBondContact O-CB 3.32Å; W429-A433 PolarHBondContact O-N 2.69Å; S430-A433 PolarHBondContact O-N 3.26Å; V431-A433 PolarHBondContact O-N 2.73Å; A433-C435 PolarHBondContact O-N 3.16Å; A433-K436 WeakPolarHBondContact O-CB 2.95Å; A433-K436 PolarHBondContact O-N 2.74Å; A433-K436 VanDerWaalsContact O-N 3.16Å; A433-A437 WeakPolarHBondContact O-CB 3.3Å; A433-A437 PolarHBondContact O-N 2.88Å
434L83.8Confident82.4Confident5 Ų540.5 Ų40.53%0.02621%0.212CC..Hα-helixtrans-62.7-41.7-179.3-166.764.5000112.6M366 F402 S430 V431 K436 A437 I438 L610 V614 L618 W631M366-L434 HydrophobicContact CE-CB 3.95Å; M366-L434 HydrophobicContact CE-CD2 3.67Å; M366-L434 HydrophobicContact CE-CG 3.81Å; F402-L434 HydrophobicContact CE2-CD2 3.87Å; F402-L434 HydrophobicContact CZ-CD2 3.92Å; S430-L434 VanDerWaalsContact O-CB 3.26Å; S430-L434 WeakPolarHBondContact O-CB 3.32Å; S430-L434 PolarHBondContact O-N 3.43Å; V431-L434 PolarHBondContact O-N 2.86Å; L434-K436 VanDerWaalsContact C-N 3.34Å; L434-K436 PolarHBondContact O-N 3.34Å; L434-A437 PolarHBondContact O-N 3.31Å; L434-I438 HydrophobicContact CD1-CD1 4.46Å; L434-I438 HydrophobicContact CG-CD1 4Å; L434-I438 HydrophobicContact CG-CG1 4.47Å; L434-I438 WeakPolarHBondContact O-CG1 2.97Å; L434-I438 PolarHBondContact O-N 2.77Å; L434-L610 HydrophobicContact CD1-CD2 4.14Å; L434-V614 HydrophobicContact CD1-CG1 4.34Å; L434-V614 HydrophobicContact CD2-CG1 3.5Å; L434-L618 HydrophobicContact CD1-CD1 3.84Å; L434-W631 HydrophobicContact CD1-CH2 4.48Å; L434-W631 HydrophobicContact CD1-CZ2 4.2Å
435C82.9Confident82.5Confident11 Ų1139.3 Ų39.37%0.07420%0.204CC..Hα-helixtrans-56.6-45.3172.7-72.60000112.4L319 I363 M366 V431 A433 Y439L319-C435 HydrophobicContact CD1-CB 4.42Å; I363-C435 HydrophobicContact CG2-CB 4.13Å; M366-C435 WeakPolarHBondContact CB-SG 3.2Å; M366-C435 VanDerWaalsContact CE-SG 3.59Å; V431-C435 PolarHBondContact O-N 3.48Å; V431-C435 PolarHBondContact O-SG 2.81Å; V431-C435 VanDerWaalsContact O-SG 3.36Å; A433-C435 PolarHBondContact O-N 3.16Å; C435-Y439 WeakPolarHBondContact O-CB 2.9Å; C435-Y439 PolarHBondContact O-N 3.24Å; C435-Y439 VanDerWaalsContact O-N 3.16Å
436K77Confident82.7Confident66 Ų6634.6 Ų34.629%0.28718%0.178SC..Hα-helixtrans-63.6-45.7176.3-61.2169.6-160.1165.20110.9G432 A433 L434 Y439 A440G432-K436 WeakPolarHBondContact O-CG 3.21Å; A433-K436 WeakPolarHBondContact O-CB 2.95Å; A433-K436 PolarHBondContact O-N 2.74Å; A433-K436 VanDerWaalsContact O-N 3.16Å; L434-K436 VanDerWaalsContact C-N 3.34Å; L434-K436 PolarHBondContact O-N 3.34Å; K436-Y439 PolarHBondContact O-N 3.21Å; K436-A440 WeakPolarHBondContact O-CB 2.94Å; K436-A440 PolarHBondContact O-N 2.96Å
437A79.2Confident82.7Confident7 Ų731.9 Ų31.96%0.05817%0.166CC..Hα-helixtrans-65.1-44.6-175.400000111.8A433 L434 A440 R441 L610 W631A433-A437 WeakPolarHBondContact O-CB 3.3Å; A433-A437 PolarHBondContact O-N 2.88Å; L434-A437 PolarHBondContact O-N 3.31Å; A437-A440 PolarHBondContact O-N 3.23Å; A437-R441 VanDerWaalsContact O-CB 3.25Å; A437-R441 WeakPolarHBondContact O-CB 3.16Å; A437-R441 WeakPolarHBondContact O-CD 3.39Å; A437-R441 WeakPolarHBondContact O-CG 3.1Å; A437-R441 PolarHBondContact O-N 3.5Å; A437-L610 HydrophobicContact CB-CD1 4.09Å; A437-L610 HydrophobicContact CB-CD2 3.78Å; A437-L610 HydrophobicContact CB-CG 4.42Å; A437-W631 HydrophobicContact CB-CH2 3.91Å; A437-W631 HydrophobicContact CB-CZ2 4.34Å
438I85.7Confident82.6Confident1 Ų134.6 Ų34.61%0.00518%0.183CC..Hα-helixtrans-60.2-48.4174.4-64.8169.6000109.8I363 M366 M395 L434 A440 R441 T442 L618 I630 W631I363-I438 HydrophobicContact CD1-CB 4.32Å; I363-I438 HydrophobicContact CD1-CG2 4Å; I363-I438 HydrophobicContact CG1-CG2 4.35Å; M366-I438 HydrophobicContact CE-CD1 4.23Å; M366-I438 HydrophobicContact SD-CD1 4.02Å; M395-I438 HydrophobicContact SD-CD1 4.01Å; L434-I438 HydrophobicContact CD1-CD1 4.46Å; L434-I438 HydrophobicContact CG-CD1 4Å; L434-I438 HydrophobicContact CG-CG1 4.47Å; L434-I438 WeakPolarHBondContact O-CG1 2.97Å; L434-I438 PolarHBondContact O-N 2.77Å; I438-A440 PolarHBondContact O-N 2.9Å; I438-R441 PolarHBondContact O-N 3.37Å; I438-T442 VanDerWaalsContact O-CB 3.25Å; I438-T442 WeakPolarHBondContact O-CB 3.05Å; I438-T442 PolarHBondContact O-N 2.85Å; I438-T442 PolarHBondContact O-OG1 3.18Å; I438-L618 HydrophobicContact CD1-CD1 4.39Å; I438-I630 HydrophobicContact CG2-CD1 4.3Å; I438-W631 HydrophobicContact CG1-CZ2 4.14Å
439Y85.8Confident82.8Confident9 Ų932.9 Ų32.94%0.03517%0.165CC..Hα-helixtrans-63.3-44.5179.2-161.4-89.3000112.5F222 V260 F270 I272 F273 I363 C435 K436 R441 T442 F443F222-Y439 WeakPolarHBondContact CA-OH 3.43Å; F222-Y439 WeakPolarHBondContact O-CE1 3.41Å; F222-Y439 PolarHBondContact O-OH 2.8Å; V260-Y439 HydrophobicContact CB-CD1 4.46Å; V260-Y439 HydrophobicContact CG1-CD1 3.81Å; V260-Y439 HydrophobicContact CG1-CG 4.33Å; V260-Y439 HydrophobicContact CG2-CD1 3.71Å; F270-Y439 VanDerWaalsContact CB-OH 3.27Å; F270-Y439 WeakPolarHBondContact CB-OH 3Å; F270-Y439 HydrophobicContact CD1-CE1 4.33Å; F270-Y439 HydrophobicContact CD2-CE1 4.01Å; F270-Y439 HydrophobicContact CE1-CE1 4.44Å; F270-Y439 HydrophobicContact CE2-CE1 4.17Å; F270-Y439 HydrophobicContact CG-CE1 4.11Å; F270-Y439 AromaticContact CG-CZ 3.97Å; F270-Y439 WeakPolarHBondContact CG-OH 3.48Å; F270-Y439 HydrophobicContact CZ-CE1 4.37Å; I272-Y439 HydrophobicContact CG2-CE2 4.34Å; I272-Y439 VanDerWaalsContact CG2-OH 3.31Å; I272-Y439 WeakPolarHBondContact CG2-OH 3.03Å; F273-Y439 HydrophobicContact CE1-CE2 4.33Å; F273-Y439 HydrophobicContact CE2-CD2 4.09Å; F273-Y439 AromaticContact CE2-CE2 3.47Å; F273-Y439 HydrophobicContact CE2-CE2 3.47Å; F273-Y439 VanDerWaalsContact CE2-CE2 3.47Å; F273-Y439 AromaticContact CZ-CD2 3.62Å; F273-Y439 HydrophobicContact CZ-CD2 3.62Å; F273-Y439 AromaticContact CZ-CE2 3.36Å; F273-Y439 HydrophobicContact CZ-CE2 3.36Å; I363-Y439 HydrophobicContact CD1-CD2 3.92Å; I363-Y439 HydrophobicContact CD1-CG 4.44Å; C435-Y439 WeakPolarHBondContact O-CB 2.9Å; C435-Y439 PolarHBondContact O-N 3.24Å; C435-Y439 VanDerWaalsContact O-N 3.16Å; K436-Y439 PolarHBondContact O-N 3.21Å; Y439-R441 PolarHBondContact O-N 3.18Å; Y439-T442 PolarHBondContact O-N 2.95Å; Y439-F443 WeakPolarHBondContact O-CB 3.48Å; Y439-F443 PolarHBondContact O-N 2.64Å
440A77.2Confident83.1Confident38 Ų3824.3 Ų24.331%0.31413%0.132SC..Hα-helixtrans-64.3-41.7-179.900000112.1V260 K436 A437 I438 F443 K444V260-A440 HydrophobicContact CG2-CB 3.65Å; K436-A440 WeakPolarHBondContact O-CB 2.94Å; K436-A440 PolarHBondContact O-N 2.96Å; A437-A440 PolarHBondContact O-N 3.23Å; I438-A440 PolarHBondContact O-N 2.9Å; A440-F443 PolarHBondContact O-N 3.01Å; A440-K444 WeakPolarHBondContact O-CB 3.29Å; A440-K444 PolarHBondContact O-N 3.38Å
441R84.6Confident83.1Confident41 Ų4124.2 Ų24.216%0.15513%0.13CC..Hα-helixtrans-72.2-38.2177.6-67.8170.4157.6-81.1-11.1111.8A437 I438 Y439 F443 K444 W445 I630 D633A437-R441 VanDerWaalsContact O-CB 3.25Å; A437-R441 WeakPolarHBondContact O-CB 3.16Å; A437-R441 WeakPolarHBondContact O-CD 3.39Å; A437-R441 WeakPolarHBondContact O-CG 3.1Å; A437-R441 PolarHBondContact O-N 3.5Å; I438-R441 PolarHBondContact O-N 3.37Å; Y439-R441 PolarHBondContact O-N 3.18Å; R441-F443 VanDerWaalsContact C-N 3.35Å; R441-K444 WeakPolarHBondContact O-CB 3.26Å; R441-K444 PolarHBondContact O-N 2.72Å; R441-W445 WeakPolarHBondContact O-CB 3.48Å; R441-W445 PolarHBondContact O-N 2.8Å; R441-I630 HydrophobicContact CB-CB 3.96Å; R441-I630 PolarHBondContact NH1-O 2.72Å; R441-D633 IonicContact CZ-OD1 3.73Å; R441-D633 IonicContact NH1-OD1 3.86Å; R441-D633 PolarHBondContact NH1-OD1 2.91Å; R441-D633 IonicContact NH2-OD1 3.94Å; R441-D633 PolarHBondContact NH2-OD1 3.22Å
442T87.3Confident82.9Confident4 Ų432 Ų323%0.02516%0.158CC..Hα-helixtrans-61.6-42.4171.5-55.20000111.2L356 L359 I438 Y439 W445 L446L356-T442 HydrophobicContact CD2-CG2 3.55Å; L359-T442 HydrophobicContact CD1-CG2 4.23Å; I438-T442 VanDerWaalsContact O-CB 3.25Å; I438-T442 WeakPolarHBondContact O-CB 3.05Å; I438-T442 PolarHBondContact O-N 2.85Å; I438-T442 PolarHBondContact O-OG1 3.18Å; Y439-T442 PolarHBondContact O-N 2.95Å; T442-W445 PolarHBondContact O-N 2.74Å; T442-L446 WeakPolarHBondContact O-CB 3Å; T442-L446 PolarHBondContact O-N 2.79Å
443F85.2Confident82.9Confident6 Ų631.8 Ų31.83%0.02615%0.151CC..Hα-helixtrans-67.3-40.5175.8-168.7-122.4000112.4L219 F222 F236 K257 Y439 A440 R441 W445 L446 I447L219-F443 HydrophobicContact CD2-CE2 4.44Å; F222-F443 HydrophobicContact CB-CD2 3.79Å; F222-F443 HydrophobicContact CB-CE2 3.81Å; F236-F443 HydrophobicContact CB-CE1 4.39Å; F236-F443 HydrophobicContact CD1-CE1 4.21Å; F236-F443 AromaticContact CD1-CZ 3.78Å; F236-F443 HydrophobicContact CD1-CZ 3.78Å; F236-F443 HydrophobicContact CE1-CZ 4.3Å; F236-F443 HydrophobicContact CG-CE1 4.45Å; F236-F443 HydrophobicContact CG-CZ 4.35Å; K257-F443 HydrophobicContact CB-CE1 4.12Å; K257-F443 HydrophobicContact CD-CE1 3.61Å; K257-F443 HydrophobicContact CD-CZ 3.51Å; Y439-F443 WeakPolarHBondContact O-CB 3.48Å; Y439-F443 PolarHBondContact O-N 2.64Å; A440-F443 PolarHBondContact O-N 3.01Å; R441-F443 VanDerWaalsContact C-N 3.35Å; F443-W445 VanDerWaalsContact C-N 3.34Å; F443-W445 PolarHBondContact O-N 3.35Å; F443-L446 HydrophobicContact CD2-CD2 4.28Å; F443-L446 PolarHBondContact O-N 2.81Å; F443-I447 HydrophobicContact CD1-CD1 3.86Å; F443-I447 HydrophobicContact CE1-CD1 3.96Å; F443-I447 HydrophobicContact CG-CD1 4.28Å; F443-I447 HydrophobicContact CZ-CD1 4.46Å; F443-I447 VanDerWaalsContact O-CD1 3.28Å; F443-I447 WeakPolarHBondContact O-CD1 3.37Å; F443-I447 WeakPolarHBondContact O-CG1 2.97Å; F443-I447 PolarHBondContact O-N 2.73Å
444K80.7Confident82.9Confident110 Ų11031.3 Ų31.348%0.47815%0.147SC..Hα-helixtrans-58.7-43.5171.8-178.8-173.2176.3-175.70111.8A440 R441 T448 D633A440-K444 WeakPolarHBondContact O-CB 3.29Å; A440-K444 PolarHBondContact O-N 3.38Å; R441-K444 WeakPolarHBondContact O-CB 3.26Å; R441-K444 PolarHBondContact O-N 2.72Å; K444-T448 WeakPolarHBondContact O-CB 3.14Å; K444-T448 PolarHBondContact O-N 2.78Å; K444-T448 PolarHBondContact O-OG1 3.25Å; K444-D633 IonicContact NZ-OD2 3.32Å; K444-D633 PolarHBondContact NZ-OD2 2.85Å
445W89.6Confident82.3Confident31 Ų3134.4 Ų34.412%0.11716%0.164CC..Hα-helixtrans-65.9-44.9174.7177.3102.1000111.8F348 E352 L356 R441 T442 F443 I447 T448 R449 L626 I630F348-W445 HydrophobicContact CE1-CH2 4.24Å; F348-W445 HydrophobicContact CE1-CZ3 4.02Å; E352-W445 HydrophobicContact CB-CH2 4.13Å; E352-W445 HydrophobicContact CG-CH2 4.13Å; E352-W445 HydrophobicContact CG-CZ2 4.49Å; E352-W445 WeakPolarHBondContact OE1-CH2 3.07Å; E352-W445 WeakPolarHBondContact OE1-CZ2 3.32Å; L356-W445 HydrophobicContact CD1-CZ3 4.2Å; L356-W445 HydrophobicContact CD2-CE3 4.23Å; L356-W445 HydrophobicContact CD2-CZ3 4.05Å; L356-W445 HydrophobicContact CG-CZ3 4.23Å; R441-W445 WeakPolarHBondContact O-CB 3.48Å; R441-W445 PolarHBondContact O-N 2.8Å; T442-W445 PolarHBondContact O-N 2.74Å; F443-W445 VanDerWaalsContact C-N 3.34Å; F443-W445 PolarHBondContact O-N 3.35Å; W445-I447 VanDerWaalsContact C-N 3.33Å; W445-I447 PolarHBondContact O-N 2.86Å; W445-T448 CarbonylContact O-C 3.58Å; W445-T448 WeakPolarHBondContact O-CA 3.03Å; W445-T448 WeakPolarHBondContact O-CB 3.41Å; W445-T448 PolarHBondContact O-N 3.48Å; W445-R449 HydrophobicContact CE3-CB 4.42Å; W445-R449 HydrophobicContact CH2-CB 4.12Å; W445-R449 HydrophobicContact CH2-CG 3.93Å; W445-R449 HydrophobicContact CZ2-CB 4.35Å; W445-R449 HydrophobicContact CZ2-CG 4.28Å; W445-R449 HydrophobicContact CZ3-CB 4.17Å; W445-R449 HydrophobicContact CZ3-CG 4.36Å; W445-R449 PolarHBondContact O-N 3.12Å; W445-L626 HydrophobicContact CD2-CD1 3.28Å; W445-L626 HydrophobicContact CE3-CD1 3.55Å; W445-L626 HydrophobicContact CG-CD1 3.72Å; W445-L626 HydrophobicContact CH2-CD1 4.12Å; W445-L626 HydrophobicContact CZ2-CD1 3.84Å; W445-L626 HydrophobicContact CZ3-CD1 3.97Å; W445-I630 HydrophobicContact CB-CG2 3.74Å; W445-I630 HydrophobicContact CG-CG2 4.11Å
446L88.2Confident81.4Confident0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-56.9-46.2178.2175.462.4000111.6V218 F222 F343 F348 L356 T442 F443 R449 C450V218-L446 HydrophobicContact CG1-CD1 3.86Å; V218-L446 HydrophobicContact CG1-CD2 4.1Å; V218-L446 HydrophobicContact CG1-CG 4.31Å; F222-L446 HydrophobicContact CB-CD2 3.98Å; F222-L446 HydrophobicContact CD1-CD2 4.04Å; F222-L446 HydrophobicContact CD2-CD2 3.83Å; F222-L446 HydrophobicContact CE1-CD2 4.48Å; F222-L446 HydrophobicContact CE2-CD2 4.3Å; F222-L446 HydrophobicContact CG-CD2 3.68Å; F343-L446 HydrophobicContact CE1-CD1 3.69Å; F343-L446 HydrophobicContact CZ-CD1 4.2Å; F348-L446 HydrophobicContact CE1-CD1 3.73Å; F348-L446 HydrophobicContact CZ-CD1 3.74Å; L356-L446 HydrophobicContact CD1-CD1 4.16Å; T442-L446 WeakPolarHBondContact O-CB 3Å; T442-L446 PolarHBondContact O-N 2.79Å; F443-L446 HydrophobicContact CD2-CD2 4.28Å; F443-L446 PolarHBondContact O-N 2.81Å; L446-R449 PolarHBondContact O-N 2.79Å; L446-C450 PolarHBondContact O-N 3.33Å; L446-C450 PolarHBondContact O-SG 3.36Å; L446-C450 VanDerWaalsContact O-SG 3.37Å
447I83.3Confident80.3Confident11 Ų1138 Ų386%0.05620%0.2CC..Hα-helixtrans-58.7-47.5172.7-68.6158.3000111L219 L255 K257 F443 W445 R449 C450 N451L219-I447 HydrophobicContact CD2-CG1 4.18Å; L255-I447 HydrophobicContact CD2-CB 4.26Å; L255-I447 HydrophobicContact CD2-CG1 3.82Å; L255-I447 HydrophobicContact CD2-CG2 3.74Å; L255-I447 WeakPolarHBondContact O-CG2 3.46Å; K257-I447 HydrophobicContact CB-CD1 3.67Å; K257-I447 HydrophobicContact CD-CD1 3.85Å; K257-I447 HydrophobicContact CD-CG1 4.28Å; K257-I447 HydrophobicContact CG-CD1 3.97Å; F443-I447 HydrophobicContact CD1-CD1 3.86Å; F443-I447 HydrophobicContact CE1-CD1 3.96Å; F443-I447 HydrophobicContact CG-CD1 4.28Å; F443-I447 HydrophobicContact CZ-CD1 4.46Å; F443-I447 VanDerWaalsContact O-CD1 3.28Å; F443-I447 WeakPolarHBondContact O-CD1 3.37Å; F443-I447 WeakPolarHBondContact O-CG1 2.97Å; F443-I447 PolarHBondContact O-N 2.73Å; W445-I447 VanDerWaalsContact C-N 3.33Å; W445-I447 PolarHBondContact O-N 2.86Å; I447-R449 VanDerWaalsContact C-N 3.27Å; I447-R449 PolarHBondContact O-N 3.45Å; I447-C450 PolarHBondContact O-N 2.73Å; I447-N451 WeakPolarHBondContact O-CB 3.35Å; I447-N451 VanDerWaalsContact O-CG 3.23Å; I447-N451 PolarHBondContact O-N 3.38Å
448T83.7Confident79.1Confident58 Ų5845.5 Ų45.536%0.35624%0.239SC..Hα-helixtrans-62.2-35.4179.2-54.60000111.6K444 W445 R452K444-T448 WeakPolarHBondContact O-CB 3.14Å; K444-T448 PolarHBondContact O-N 2.78Å; K444-T448 PolarHBondContact O-OG1 3.25Å; W445-T448 CarbonylContact O-C 3.58Å; W445-T448 WeakPolarHBondContact O-CA 3.03Å; W445-T448 WeakPolarHBondContact O-CB 3.41Å; W445-T448 PolarHBondContact O-N 3.48Å; T448-R452 WeakPolarHBondContact O-CG 3.23Å; T448-R452 PolarHBondContact O-N 2.75Å; T448-R452 VanDerWaalsContact O-N 3.08Å
449R86.4Confident77.8Confident38 Ų3846.8 Ų46.814%0.14325%0.25CC..Hα-helixtrans-72.1-43.6177.1-172.159.616899.16.5112.1N347 F348 E352 W445 L446 I447 R452 T453N347-R449 PolarHBondContact O-NH2 3.34Å; F348-R449 HydrophobicContact CD1-CG 4.08Å; F348-R449 HydrophobicContact CE1-CB 3.95Å; F348-R449 HydrophobicContact CE1-CG 3.44Å; F348-R449 VanDerWaalsContact CE1-CG 3.44Å; F348-R449 HydrophobicContact CE2-CG 4.11Å; F348-R449 HydrophobicContact CZ-CB 3.8Å; F348-R449 HydrophobicContact CZ-CG 3.46Å; F348-R449 VanDerWaalsContact CZ-CG 3.46Å; E352-R449 IonicContact OE1-CZ 2.67Å; E352-R449 IonicContact OE1-NE 3.64Å; E352-R449 PolarHBondContact OE1-NE 3.27Å; E352-R449 IonicContact OE1-NH2 2.99Å; E352-R449 PolarHBondContact OE1-NH2 2.67Å; E352-R449 IonicContact OE2-CZ 2.72Å; E352-R449 IonicContact OE2-NE 3.54Å; E352-R449 PolarHBondContact OE2-NE 3.21Å; E352-R449 IonicContact OE2-NH2 3.11Å; E352-R449 PolarHBondContact OE2-NH2 3.47Å; W445-R449 HydrophobicContact CE3-CB 4.42Å; W445-R449 HydrophobicContact CH2-CB 4.12Å; W445-R449 HydrophobicContact CH2-CG 3.93Å; W445-R449 HydrophobicContact CZ2-CB 4.35Å; W445-R449 HydrophobicContact CZ2-CG 4.28Å; W445-R449 HydrophobicContact CZ3-CB 4.17Å; W445-R449 HydrophobicContact CZ3-CG 4.36Å; W445-R449 PolarHBondContact O-N 3.12Å; L446-R449 PolarHBondContact O-N 2.79Å; I447-R449 VanDerWaalsContact C-N 3.27Å; I447-R449 PolarHBondContact O-N 3.45Å; R449-R452 PolarHBondContact O-N 3.26Å; R449-T453 PolarHBondContact O-N 2.67Å; R449-T453 PolarHBondContact O-OG1 2.94Å
450C85Confident76.7Confident1 Ų150.3 Ų50.31%0.00727%0.269CS..Hα-helixtrans-60.4-44.9171.4-67.40000111.7T215 M346 L446 I447 R452 T453 L454T215-C450 HydrophobicContact CG2-CB 4.39Å; M346-C450 HydrophobicContact CE-CB 3.88Å; L446-C450 PolarHBondContact O-N 3.33Å; L446-C450 PolarHBondContact O-SG 3.36Å; L446-C450 VanDerWaalsContact O-SG 3.37Å; I447-C450 PolarHBondContact O-N 2.73Å; C450-R452 VanDerWaalsContact C-N 3.3Å; C450-R452 PolarHBondContact O-N 2.58Å; C450-T453 PolarHBondContact O-N 2.69Å; C450-T453 PolarHBondContact O-OG1 3.12Å; C450-L454 VanDerWaalsContact O-CG 3.27Å; C450-L454 WeakPolarHBondContact O-CG 3.08Å; C450-L454 PolarHBondContact O-N 2.7Å
451N81.5Confident76.4Confident21 Ų2152.9 Ų52.911%0.11227%0.271CS..Hα-helixtrans-59-40.9176.8-73.9-11.5000111.6L254 L255 I447 T453 L454 D455L254-N451 HydrophobicContact CD1-CB 3.75Å; L255-N451 PolarHBondContact N-OD1 2.79Å; L255-N451 PolarHBondContact O-ND2 2.73Å; I447-N451 WeakPolarHBondContact O-CB 3.35Å; I447-N451 VanDerWaalsContact O-CG 3.23Å; I447-N451 PolarHBondContact O-N 3.38Å; N451-T453 VanDerWaalsContact C-N 3.28Å; N451-T453 PolarHBondContact O-N 2.92Å; N451-L454 PolarHBondContact O-N 2.78Å; N451-D455 WeakPolarHBondContact O-CB 3.45Å; N451-D455 PolarHBondContact O-N 2.72Å; N451-D455 VanDerWaalsContact O-N 3.12Å
452R80.2Confident75.9Confident174 Ų17456.6 Ų56.666%0.65729%0.288SS*.Hα-helixtrans-64.6-25.6174.5-75.5174.2-178.6174.31.7114.3T448 R449 C450T448-R452 WeakPolarHBondContact O-CG 3.23Å; T448-R452 PolarHBondContact O-N 2.75Å; T448-R452 VanDerWaalsContact O-N 3.08Å; R449-R452 PolarHBondContact O-N 3.26Å; C450-R452 VanDerWaalsContact C-N 3.3Å; C450-R452 PolarHBondContact O-N 2.58Å
453T77.6Confident75.8Confident26 Ų2658 Ų5816%0.1629%0.294CS..Hα-helixtrans-92.2-16.5178.454.60000113.3M346 R449 C450 N451M346-T453 WeakPolarHBondContact CE-OG1 3.39Å; M346-T453 WeakPolarHBondContact O-CB 3.37Å; M346-T453 VanDerWaalsContact O-CG2 3.32Å; M346-T453 WeakPolarHBondContact O-CG2 3.05Å; R449-T453 PolarHBondContact O-N 2.67Å; R449-T453 PolarHBondContact O-OG1 2.94Å; C450-T453 PolarHBondContact O-N 2.69Å; C450-T453 PolarHBondContact O-OG1 3.12Å; N451-T453 VanDerWaalsContact C-N 3.28Å; N451-T453 PolarHBondContact O-N 2.92Å
454L76.4Confident76Confident0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-90.9-6.2170.7-60.5167.3000112.6L208 Q211 I212 T215 G252 D253 M346 C450 N451 V456L208-L454 HydrophobicContact CD1-CD2 4.43Å; Q211-L454 HydrophobicContact CB-CD2 3.96Å; I212-L454 HydrophobicContact CB-CD2 4.49Å; I212-L454 HydrophobicContact CG1-CD2 3.75Å; T215-L454 HydrophobicContact CG2-CD1 4.2Å; G252-L454 WeakPolarHBondContact CA-O 3.05Å; D253-L454 HydrophobicContact CB-CB 4.44Å; D253-L454 HydrophobicContact CB-CD1 4.25Å; D253-L454 WeakPolarHBondContact O-CB 3.1Å; M346-L454 HydrophobicContact CE-CD1 4.32Å; M346-L454 HydrophobicContact CE-CD2 4.2Å; M346-L454 HydrophobicContact CE-CG 4.09Å; M346-L454 HydrophobicContact SD-CD2 4.47Å; C450-L454 VanDerWaalsContact O-CG 3.27Å; C450-L454 WeakPolarHBondContact O-CG 3.08Å; C450-L454 PolarHBondContact O-N 2.7Å; N451-L454 PolarHBondContact O-N 2.78Å; L454-V456 PolarHBondContact O-N 2.63Å
455D69.8Low76.4Confident70 Ų7053.8 Ų53.837%0.37428%0.276SS..BIsolated β-bridgetrans-84.4104.7177.8-161.6-46.8000111.3N451 A457 R461N451-D455 WeakPolarHBondContact O-CB 3.45Å; N451-D455 PolarHBondContact O-N 2.72Å; N451-D455 VanDerWaalsContact O-N 3.12Å; D455-A457 PolarHBondContact O-N 2.71Å; D455-R461 IonicContact OD1-CZ 2.66Å; D455-R461 IonicContact OD1-NH2 2.7Å; D455-R461 PolarHBondContact OD1-NH2 2.86Å; D455-R461 IonicContact OD2-CZ 2.7Å; D455-R461 IonicContact OD2-NH1 2.67Å; D455-R461 IonicContact OD2-NH2 2.73Å; D455-R461 PolarHBondContact OD2-NH2 2.7Å
456V64.3Low76.4Confident61 Ų6152.3 Ų52.337%0.3727%0.27SS..  trans-8797170.3-175.10000109L208 L454 D458 A459L208-V456 HydrophobicContact CD1-CG2 4.15Å; L208-V456 HydrophobicContact CD2-CG2 3.93Å; L454-V456 PolarHBondContact O-N 2.63Å; V456-D458 PolarHBondContact O-N 2.66Å; V456-A459 HydrophobicContact CB-CB 3.92Å; V456-A459 HydrophobicContact CG1-CB 3.88Å; V456-A459 WeakPolarHBondContact O-CB 3.11Å; V456-A459 PolarHBondContact O-N 2.77Å
457A54.5Low76.4Confident92 Ų9252.3 Ų52.376%0.7627%0.27SS*.THydrogen-bonded Turntrans-54.9-28.7-17200000115.3D455D455-A457 PolarHBondContact O-N 2.71Å
458D53.7Low76.6Confident163 Ų16352 Ų5287%0.87227%0.269SS*.THydrogen-bonded Turntrans-92.42.9-179.4-59.1-53.5000114.1V456V456-D458 PolarHBondContact O-N 2.66Å
459A58.9Low76.5Confident28 Ų2849.3 Ų49.323%0.23125%0.252CS..  trans-92.8120.8-171.900000113.6A251 V456 R461A251-A459 HydrophobicContact CB-CB 3.79Å; V456-A459 HydrophobicContact CB-CB 3.92Å; V456-A459 HydrophobicContact CG1-CB 3.88Å; V456-A459 WeakPolarHBondContact O-CB 3.11Å; V456-A459 PolarHBondContact O-N 2.77Å; A459-R461 PolarHBondContact O-N 2.7Å
460D63.1Low75.8Confident83 Ų8348.1 Ų48.144%0.44425%0.248SC..  trans-62.191.1175174.936.8000112.4N245 K462N245-D460 WeakPolarHBondContact CA-O 3.41Å; N245-D460 WeakPolarHBondContact CB-O 3.12Å; D460-K462 PolarHBondContact O-N 2.75Å; D460-K462 WeakPolarHBondContact OD1-CE 3.1Å; D460-K462 IonicContact OD1-NZ 3.48Å; D460-K462 PolarHBondContact OD1-NZ 2.68Å; D460-K462 WeakPolarHBondContact OD2-CD 3.18Å; D460-K462 VanDerWaalsContact OD2-CE 3.28Å; D460-K462 WeakPolarHBondContact OD2-CE 3.38Å; D460-K462 IonicContact OD2-NZ 2.77Å; D460-K462 PolarHBondContact OD2-NZ 2.69Å
461R70.8Confident74.9Confident93 Ų9349 Ų4935%0.35126%0.256SS..  trans-78.598.6178.8-63.9-178.8-172.7166.76.5111.1Y243 A251 D455 A459Y243-R461 HydrophobicContact CD1-CB 4.1Å; Y243-R461 HydrophobicContact CD1-CG 4.16Å; Y243-R461 HydrophobicContact CG-CG 4.16Å; A251-R461 HydrophobicContact CB-CG 4.18Å; D455-R461 IonicContact OD1-CZ 2.66Å; D455-R461 IonicContact OD1-NH2 2.7Å; D455-R461 PolarHBondContact OD1-NH2 2.86Å; D455-R461 IonicContact OD2-CZ 2.7Å; D455-R461 IonicContact OD2-NH1 2.67Å; D455-R461 IonicContact OD2-NH2 2.73Å; D455-R461 PolarHBondContact OD2-NH2 2.7Å; A459-R461 PolarHBondContact O-N 2.7Å
462K74.2Confident74.2Confident118 Ų11848 Ų4851%0.51325%0.251SS..  trans-101.9-38.9179.5-83.1173.7173.5144.10114.1F244 D460F244-K462 PolarHBondContact O-N 2.67Å; F244-K462 VanDerWaalsContact O-N 3.17Å; D460-K462 PolarHBondContact O-N 2.75Å; D460-K462 WeakPolarHBondContact OD1-CE 3.1Å; D460-K462 IonicContact OD1-NZ 3.48Å; D460-K462 PolarHBondContact OD1-NZ 2.68Å; D460-K462 WeakPolarHBondContact OD2-CD 3.18Å; D460-K462 VanDerWaalsContact OD2-CE 3.28Å; D460-K462 WeakPolarHBondContact OD2-CE 3.38Å; D460-K462 IonicContact OD2-NZ 2.77Å; D460-K462 PolarHBondContact OD2-NZ 2.69Å
463F85.6Confident73.8Confident35 Ų3540.1 Ų40.115%0.15422%0.221CC..EExtended strand (participates in β ladder)trans-131.6158.8-177.3-48.8-60.7000110.6M159 K163 N165 Y243 F244M159-F463 HydrophobicContact CG-CB 3.68Å; M159-F463 HydrophobicContact CG-CG 4.18Å; M159-F463 HydrophobicContact SD-CB 3.64Å; K163-F463 HydrophobicContact CB-CE1 3.76Å; K163-F463 HydrophobicContact CB-CZ 3.76Å; K163-F463 HydrophobicContact CG-CZ 4.07Å; K163-F463 WeakPolarHBondContact O-CE1 3.01Å; N165-F463 WeakPolarHBondContact OD1-CA 3.15Å; Y243-F463 WeakPolarHBondContact CA-O 3.36Å; F244-F463 PolarHBondContact N-O 2.69Å; F244-F463 PolarHBondContact O-N 2.63Å; F244-F463 VanDerWaalsContact O-N 3.11Å
464F88Confident73.4Confident27 Ų2739 Ų3912%0.11821%0.214CC..EExtended strand (participates in β ladder)trans-140.4154.5169.371.7-88.9000112.6N165 Q166 R241 I242 Y243 M674 T678N165-F464 HydrophobicContact CB-CD1 4.01Å; N165-F464 HydrophobicContact CB-CE1 3.73Å; N165-F464 HydrophobicContact CB-CE2 4.41Å; N165-F464 HydrophobicContact CB-CG 4.46Å; N165-F464 HydrophobicContact CB-CZ 3.94Å; N165-F464 VanDerWaalsContact CG-CD1 3.46Å; N165-F464 WeakPolarHBondContact OD1-CD1 3.14Å; N165-F464 PolarHBondContact OD1-N 2.68Å; Q166-F464 PolarHBondContact N-O 2.73Å; Q166-F464 VanDerWaalsContact N-O 3.16Å; R241-F464 HydrophobicContact CG-CD2 4.36Å; I242-F464 CarbonylContact O-C 3.54Å; I242-F464 WeakPolarHBondContact O-CA 3.29Å; I242-F464 WeakPolarHBondContact O-CB 3.01Å; Y243-F464 HydrophobicContact CD1-CB 3.85Å; Y243-F464 HydrophobicContact CE1-CB 4.08Å; Y243-F464 HydrophobicContact CG-CB 4.45Å; F464-M674 HydrophobicContact CZ-CG 4.31Å; F464-M674 HydrophobicContact CZ-SD 4.44Å; F464-T678 HydrophobicContact CE2-CG2 3.91Å; F464-T678 HydrophobicContact CZ-CG2 3.84Å
465I90.6Very high73.3Confident0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-112.9114.9166.6-56.5-179.8000107.9A155 M159 Q166 I168 F189 I242 F244 V467A155-I465 HydrophobicContact CB-CD1 4.42Å; M159-I465 HydrophobicContact SD-CD1 4.05Å; M159-I465 HydrophobicContact SD-CG1 3.74Å; Q166-I465 HydrophobicContact CB-CG1 4.3Å; Q166-I465 HydrophobicContact CB-CG2 4.49Å; Q166-I465 CarbonylContact O-C 3.55Å; Q166-I465 WeakPolarHBondContact O-CA 3.46Å; I168-I465 HydrophobicContact CD1-CG2 3.97Å; I168-I465 HydrophobicContact CG1-CG2 4.04Å; F189-I465 HydrophobicContact CD1-CD1 4.49Å; F189-I465 HydrophobicContact CE1-CD1 3.72Å; F189-I465 HydrophobicContact CE2-CD1 4.32Å; F189-I465 HydrophobicContact CE2-CG2 4.03Å; F189-I465 HydrophobicContact CZ-CD1 3.61Å; F189-I465 HydrophobicContact CZ-CG2 4.03Å; I242-I465 PolarHBondContact N-O 3.47Å; I242-I465 VanDerWaalsContact N-O 3.12Å; I242-I465 PolarHBondContact O-N 3.23Å; F244-I465 HydrophobicContact CD2-CG1 4.25Å; F244-I465 HydrophobicContact CE2-CB 4.1Å; F244-I465 HydrophobicContact CE2-CD1 3.73Å; F244-I465 HydrophobicContact CE2-CG1 3.69Å; F244-I465 HydrophobicContact CZ-CD1 4.15Å; I465-V467 HydrophobicContact CG2-CG2 4.47Å
466G88.7Confident73.3Confident0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-89.7104.7-179.400000112.4Q166 S167 I168 I240Q166-G466 PolarHBondContact O-N 2.75Å; S167-G466 CarbonylContact C-O 3.55Å; S167-G466 WeakPolarHBondContact CA-O 3.29Å; S167-G466 VanDerWaalsContact CB-O 3.25Å; S167-G466 WeakPolarHBondContact CB-O 3.1Å; I168-G466 PolarHBondContact N-O 2.65Å; I240-G466 CarbonylContact O-C 3.4Å; I240-G466 WeakPolarHBondContact O-CA 3.32Å
467V88.8Confident73.6Confident0 Ų046.3 Ų46.30%025%0.248CC..EExtended strand (participates in β ladder)trans-93.8124.8178.9-167.80000110.2I168 I170 T182 V185 F189 I240 I242 I465I168-V467 HydrophobicContact CB-CG1 4.39Å; I168-V467 HydrophobicContact CB-CG2 4.42Å; I168-V467 WeakPolarHBondContact O-CA 3.48Å; I170-V467 HydrophobicContact CD1-CG1 4.2Å; T182-V467 HydrophobicContact CG2-CG1 3.91Å; V185-V467 HydrophobicContact CG1-CG1 4.36Å; V185-V467 HydrophobicContact CG1-CG2 3.95Å; F189-V467 HydrophobicContact CE2-CG2 4.43Å; I240-V467 HydrophobicContact CB-CB 4.37Å; I240-V467 PolarHBondContact N-O 3.39Å; I240-V467 PolarHBondContact O-N 2.71Å; I242-V467 HydrophobicContact CD1-CG2 4.13Å; I465-V467 HydrophobicContact CG2-CG2 4.47Å
468L87Confident74.4Confident4 Ų447.5 Ų47.52%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-110.7120.8-175.7-175.667000111.6I168 L169 I170 F239 I470 L493 L671 L675I168-L468 PolarHBondContact O-N 3.18Å; L169-L468 HydrophobicContact CD2-CD2 4.14Å; L169-L468 HydrophobicContact CG-CD2 4.29Å; I170-L468 PolarHBondContact N-O 2.68Å; I170-L468 VanDerWaalsContact N-O 3.15Å; F239-L468 HydrophobicContact CB-CD1 4.17Å; F239-L468 HydrophobicContact CD2-CB 3.99Å; F239-L468 HydrophobicContact CD2-CD1 3.81Å; F239-L468 HydrophobicContact CD2-CG 4.5Å; F239-L468 HydrophobicContact CE2-CB 4.4Å; F239-L468 HydrophobicContact CG-CD1 4.41Å; L468-I470 HydrophobicContact CD1-CG2 3.81Å; L468-I470 HydrophobicContact CG-CG2 4.09Å; L468-L493 HydrophobicContact CD2-CD1 3.79Å; L468-L493 HydrophobicContact CD2-CD2 3.91Å; L468-L671 HydrophobicContact CD1-CD1 4.36Å; L468-L671 HydrophobicContact CD1-CD2 4.11Å; L468-L675 HydrophobicContact CD2-CD1 4.01Å
469D81.2Confident75.5Confident1 Ų139.9 Ų39.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-130.3101.1173.917939.1000109.4K178 T179 T182 K238K178-D469 WeakPolarHBondContact CB-OD1 3.4Å; T179-D469 VanDerWaalsContact CA-OD2 3.23Å; T179-D469 WeakPolarHBondContact CA-OD2 3.48Å; T179-D469 WeakPolarHBondContact CB-OD2 3.44Å; T179-D469 PolarHBondContact N-OD1 2.72Å; T179-D469 PolarHBondContact OG1-OD1 3.25Å; T179-D469 PolarHBondContact OG1-OD2 3.1Å; T182-D469 HydrophobicContact CG2-CB 4.14Å; T182-D469 WeakPolarHBondContact OG1-CB 2.94Å; K238-D469 HydrophobicContact CD-CB 4.42Å; K238-D469 HydrophobicContact CG-CB 3.82Å; K238-D469 PolarHBondContact N-O 2.78Å; K238-D469 IonicContact NZ-OD2 2.66Å; K238-D469 PolarHBondContact NZ-OD2 2.7Å; K238-D469 PolarHBondContact O-N 3.28Å
470I73.1Confident76.5Confident13 Ų1338.6 Ų38.67%0.06719%0.185CC..  trans-104.5163.8179.956.7151.7000111.8K178 L468 G472 V489 L493K178-I470 WeakPolarHBondContact CE-O 3.23Å; L468-I470 HydrophobicContact CD1-CG2 3.81Å; L468-I470 HydrophobicContact CG-CG2 4.09Å; I470-G472 PolarHBondContact O-N 2.77Å; I470-V489 HydrophobicContact CD1-CG1 4.11Å; I470-L493 HydrophobicContact CD1-CD1 3.45Å; I470-L493 VanDerWaalsContact CD1-CD1 3.45Å; I470-L493 HydrophobicContact CG1-CD1 4.17Å
471A65.6Low77.3Confident19 Ų1934.8 Ų34.816%0.15717%0.165CC..PPolyproline II helixtrans-56.5136.9162.200000109.8I486 N490A471-I486 HydrophobicContact CB-CD1 4.3Å; A471-I486 HydrophobicContact CB-CG1 4.29Å; A471-I486 HydrophobicContact CB-CG2 3.91Å; A471-N490 PolarHBondContact O-ND2 3.48Å
472G65.8Low77.6Confident1 Ų131.2 Ų31.21%0.0115%0.152CC..PPolyproline II helixtrans-73171.9177.800000111.6G172 K178 I470 E474 I486G172-G472 WeakPolarHBondContact O-CA 3Å; K178-G472 VanDerWaalsContact NZ-N 3.18Å; I470-G472 PolarHBondContact O-N 2.77Å; G472-E474 PolarHBondContact O-N 2.53Å; G472-I486 WeakPolarHBondContact O-CG2 3.25Å
473F73Confident77.7Confident8 Ų826.4 Ų26.44%0.03513%0.131CC..PPolyproline II helixtrans-55.3132168.5-155.2-81.7000109.9I475 N487 N490 H590 Y591 A592 V595F473-I475 HydrophobicContact CD1-CD1 4.16Å; F473-I475 HydrophobicContact CD1-CG1 3.81Å; F473-I475 HydrophobicContact CE1-CD1 3.86Å; F473-I475 HydrophobicContact CE1-CG1 3.66Å; F473-N487 HydrophobicContact CD2-CB 4.1Å; F473-N487 HydrophobicContact CE1-CB 4.42Å; F473-N487 HydrophobicContact CE2-CB 3.57Å; F473-N487 HydrophobicContact CZ-CB 3.74Å; F473-N490 HydrophobicContact CB-CB 4.47Å; F473-N490 HydrophobicContact CD2-CB 3.88Å; F473-N490 PolarHBondContact N-OD1 2.85Å; F473-H590 HydrophobicContact CE2-CB 3.85Å; F473-H590 HydrophobicContact CZ-CB 3.46Å; F473-H590 VanDerWaalsContact CZ-CB 3.46Å; F473-H590 AromaticContact CZ-CG 3.61Å; F473-Y591 HydrophobicContact CD2-CD1 4.47Å; F473-Y591 AromaticContact CD2-CE1 3.62Å; F473-Y591 HydrophobicContact CD2-CE1 3.62Å; F473-Y591 AromaticContact CD2-CZ 3.96Å; F473-Y591 HydrophobicContact CE2-CD1 4.3Å; F473-Y591 AromaticContact CE2-CE1 3.86Å; F473-Y591 HydrophobicContact CE2-CE1 3.86Å; F473-A592 HydrophobicContact CD1-CB 3.67Å; F473-A592 HydrophobicContact CD2-CB 4.05Å; F473-A592 HydrophobicContact CE1-CB 3.75Å; F473-A592 HydrophobicContact CE2-CB 4.12Å; F473-A592 HydrophobicContact CG-CB 3.85Å; F473-A592 HydrophobicContact CZ-CB 3.99Å; F473-V595 HydrophobicContact CE1-CG2 3.66Å; F473-V595 HydrophobicContact CZ-CG2 3.84Å
474E69.3Low77.7Confident3 Ų324.9 Ų24.91%0.01413%0.125CC..  trans-126.8128.5-176.3-77.6-171163.800111S174 R235 G472 F476 N487S174-E474 VanDerWaalsContact CB-OE1 3.27Å; S174-E474 WeakPolarHBondContact CB-OE1 2.94Å; S174-E474 PolarHBondContact OG-OE1 3.09Å; R235-E474 IonicContact NH1-OE2 3.6Å; G472-E474 PolarHBondContact O-N 2.53Å; E474-F476 HydrophobicContact CB-CD2 4.45Å; E474-F476 HydrophobicContact CB-CE2 3.74Å; E474-F476 HydrophobicContact CB-CZ 4.03Å; E474-F476 HydrophobicContact CG-CE2 4.16Å; E474-F476 HydrophobicContact CG-CZ 4.03Å; E474-F476 WeakPolarHBondContact OE2-CE2 3.43Å; E474-N487 PolarHBondContact N-OD1 3.41Å; E474-N487 PolarHBondContact O-ND2 2.97Å; E474-N487 PolarHBondContact O-OD1 2.68Å
475I72.5Confident77.5Confident62 Ų6224.3 Ų24.332%0.31812%0.122SC..  trans-128113.7176.6-48.1-176.5000108F473 V595F473-I475 HydrophobicContact CD1-CD1 4.16Å; F473-I475 HydrophobicContact CD1-CG1 3.81Å; F473-I475 HydrophobicContact CE1-CD1 3.86Å; F473-I475 HydrophobicContact CE1-CG1 3.66Å; I475-V595 HydrophobicContact CD1-CG2 4.21Å; I475-V595 HydrophobicContact CG1-CG2 4.07Å
476F70.7Confident76.9Confident44 Ų4425.8 Ų25.819%0.19313%0.13CC..  trans-121.1172.3174.9-54.7-63.2000110.6E474 F478 N479 Q483E474-F476 HydrophobicContact CB-CD2 4.45Å; E474-F476 HydrophobicContact CB-CE2 3.74Å; E474-F476 HydrophobicContact CB-CZ 4.03Å; E474-F476 HydrophobicContact CG-CE2 4.16Å; E474-F476 HydrophobicContact CG-CZ 4.03Å; E474-F476 WeakPolarHBondContact OE2-CE2 3.43Å; F476-F478 PolarHBondContact O-N 3.47Å; F476-N479 PolarHBondContact N-OD1 3.02Å; F476-N479 PolarHBondContact O-ND2 3.07Å; F476-N479 PolarHBondContact O-OD1 3.03Å; F476-Q483 HydrophobicContact CD2-CG 4.02Å; F476-Q483 HydrophobicContact CE2-CG 4.19Å
477D69.6Low76.7Confident178 Ų17825.8 Ų25.895%0.95213%0.13SC*.SBendtrans-66.3-28.7169.6-66.7-53.3000112.4
478F71.5Confident76.6Confident118 Ų11826 Ų2652%0.51813%0.13SC..SBendtrans-122.699.5176.6-177.5-90.5000109.7F476 N598F476-F478 PolarHBondContact O-N 3.47Å; F478-N598 HydrophobicContact CD2-CB 4.23Å; F478-N598 HydrophobicContact CE2-CB 3.97Å; F478-N598 WeakPolarHBondContact CE2-ND2 3.28Å
479N77.1Confident76.5Confident2 Ų227.1 Ų27.11%0.01114%0.137CC..BIsolated β-bridgetrans-104.4127.7173.4-48-75.7000108.7F476 Q483 V595 R596 Y597 N598F476-N479 PolarHBondContact N-OD1 3.02Å; F476-N479 PolarHBondContact O-ND2 3.07Å; F476-N479 PolarHBondContact O-OD1 3.03Å; N479-Q483 HydrophobicContact CB-CB 3.85Å; N479-Q483 HydrophobicContact CB-CG 4.19Å; N479-V595 HydrophobicContact CB-CG1 4.15Å; N479-R596 WeakPolarHBondContact CB-O 3.48Å; N479-R596 PolarHBondContact ND2-O 2.7Å; N479-Y597 HydrophobicContact CB-CD1 3.7Å; N479-Y597 HydrophobicContact CB-CE1 3.92Å; N479-Y597 WeakPolarHBondContact O-CA 3.15Å; N479-N598 PolarHBondContact O-N 3.25Å
480S80.7Confident76.6Confident2 Ų227.4 Ų27.41%0.01414%0.139CC..  trans-117.1-168.3-179.3-153.10000111.1E482 Q483 L484 W602 K605S480-E482 PolarHBondContact O-N 2.99Å; S480-E482 VanDerWaalsContact O-N 3.12Å; S480-Q483 PolarHBondContact O-N 3.28Å; S480-L484 PolarHBondContact O-N 3.47Å; S480-L484 VanDerWaalsContact O-N 3.14Å; S480-W602 PolarHBondContact OG-NE1 2.82Å; S480-K605 PolarHBondContact OG-NZ 3.11Å
481F80.2Confident77.2Confident2 Ų226.8 Ų26.81%0.00914%0.136CC..Hα-helixtrans-53.3-33.7-178.1-177.1-126.8000112.6W485 L542 W602 K605 N606 V660F481-W485 AromaticContact CD2-CD1 3.95Å; F481-W485 AromaticContact CD2-NE1 3.98Å; F481-W485 AromaticContact CE2-CD1 3.64Å; F481-W485 AromaticContact CE2-NE1 3.2Å; F481-W485 AromaticContact CZ-CD1 3.81Å; F481-W485 AromaticContact CZ-NE1 3.29Å; F481-W485 VanDerWaalsContact CZ-NE1 3.29Å; F481-W485 PolarHBondContact O-N 2.6Å; F481-L542 HydrophobicContact CD2-CD2 3.94Å; F481-L542 HydrophobicContact CE2-CD2 3.34Å; F481-L542 HydrophobicContact CZ-CD2 3.96Å; F481-W602 HydrophobicContact CB-CD2 3.87Å; F481-W602 HydrophobicContact CB-CG 3.96Å; F481-W602 HydrophobicContact CB-CZ2 4.41Å; F481-W602 HydrophobicContact CD2-CD2 4.16Å; F481-W602 HydrophobicContact CD2-CE3 4.02Å; F481-W602 HydrophobicContact CD2-CZ3 4.43Å; F481-W602 HydrophobicContact CG-CD2 4.43Å; F481-W602 VanDerWaalsContact N-CE2 3.26Å; F481-K605 HydrophobicContact CB-CD 4.1Å; F481-K605 HydrophobicContact CD1-CB 4.09Å; F481-N606 HydrophobicContact CE1-CB 4.35Å; F481-N606 HydrophobicContact CZ-CB 4.23Å; F481-N606 WeakPolarHBondContact CZ-OD1 3.26Å; F481-V660 HydrophobicContact CE1-CB 4.37Å; F481-V660 HydrophobicContact CE1-CG1 4.1Å
482E75.6Confident78.3Confident19 Ų1926.4 Ų26.49%0.08913%0.131CC..Hα-helixtrans-54.7-54.5171.1-70.260.5-140.500112.7R259 I261 S480 W485 I486 K605R259-E482 IonicContact CZ-OE1 2.6Å; R259-E482 IonicContact NE-OE1 2.9Å; R259-E482 IonicContact NH2-OE1 3.57Å; R259-E482 PolarHBondContact NH2-OE1 2.67Å; I261-E482 HydrophobicContact CB-CG 4.49Å; I261-E482 HydrophobicContact CD1-CB 4.16Å; I261-E482 HydrophobicContact CD1-CG 3.73Å; I261-E482 HydrophobicContact CG1-CG 3.92Å; I261-E482 HydrophobicContact CG2-CG 3.73Å; S480-E482 PolarHBondContact O-N 2.99Å; S480-E482 VanDerWaalsContact O-N 3.12Å; E482-W485 PolarHBondContact O-N 2.85Å; E482-I486 WeakPolarHBondContact O-CG1 3.23Å; E482-I486 PolarHBondContact O-N 2.72Å; E482-K605 IonicContact OE1-NZ 2.79Å; E482-K605 IonicContact OE2-NZ 2.62Å; E482-K605 PolarHBondContact OE2-NZ 3.23Å
483Q77.6Confident79.2Confident16 Ų1626.7 Ų26.78%0.07513%0.132CC..Hα-helixtrans-69.5-33.8-177.2-75.668.939.300112.1F476 N479 S480 W485 I486 N487 Y597F476-Q483 HydrophobicContact CD2-CG 4.02Å; F476-Q483 HydrophobicContact CE2-CG 4.19Å; N479-Q483 HydrophobicContact CB-CB 3.85Å; N479-Q483 HydrophobicContact CB-CG 4.19Å; S480-Q483 PolarHBondContact O-N 3.28Å; Q483-W485 VanDerWaalsContact C-N 3.31Å; Q483-W485 PolarHBondContact O-N 2.69Å; Q483-I486 PolarHBondContact O-N 3.14Å; Q483-N487 WeakPolarHBondContact O-CB 3.15Å; Q483-N487 VanDerWaalsContact O-CG 3.3Å; Q483-N487 PolarHBondContact O-N 2.94Å; Q483-N487 PolarHBondContact O-ND2 3.34Å; Q483-Y597 HydrophobicContact CB-CE1 4.23Å
484L85.9Confident79.8Confident4 Ų426.5 Ų26.52%0.02113%0.131CC..Hα-helixtrans-58.4-45.5175179.565.9000110.7S480 N487 F488 I532 I538 I588 Y597 W602S480-L484 PolarHBondContact O-N 3.47Å; S480-L484 VanDerWaalsContact O-N 3.14Å; L484-N487 PolarHBondContact O-N 2.94Å; L484-F488 WeakPolarHBondContact O-CB 3.4Å; L484-F488 PolarHBondContact O-N 3.2Å; L484-I532 HydrophobicContact CD1-CD1 4.37Å; L484-I538 HydrophobicContact CD2-CG2 4.04Å; L484-I588 HydrophobicContact CD1-CD1 3.69Å; L484-Y597 HydrophobicContact CB-CD1 4.11Å; L484-Y597 HydrophobicContact CB-CE1 3.85Å; L484-Y597 HydrophobicContact CD1-CD2 4.38Å; L484-Y597 HydrophobicContact CD1-CE1 4.23Å; L484-Y597 HydrophobicContact CD1-CE2 3.92Å; L484-W602 HydrophobicContact CB-CH2 3.99Å; L484-W602 HydrophobicContact CD2-CH2 3.58Å; L484-W602 HydrophobicContact CD2-CZ3 3.54Å; L484-W602 HydrophobicContact CG-CH2 4.33Å
485W84Confident80.6Confident15 Ų1527.7 Ų27.76%0.05714%0.137CC..Hα-helixtrans-66.1-41.2177.4-84.498000112.8F481 E482 Q483 F488 V489 V539 Y664 R665 L668F481-W485 AromaticContact CD2-CD1 3.95Å; F481-W485 AromaticContact CD2-NE1 3.98Å; F481-W485 AromaticContact CE2-CD1 3.64Å; F481-W485 AromaticContact CE2-NE1 3.2Å; F481-W485 AromaticContact CZ-CD1 3.81Å; F481-W485 AromaticContact CZ-NE1 3.29Å; F481-W485 VanDerWaalsContact CZ-NE1 3.29Å; F481-W485 PolarHBondContact O-N 2.6Å; E482-W485 PolarHBondContact O-N 2.85Å; Q483-W485 VanDerWaalsContact C-N 3.31Å; Q483-W485 PolarHBondContact O-N 2.69Å; W485-F488 AromaticContact CE3-CD1 3.91Å; W485-F488 HydrophobicContact CE3-CD1 3.91Å; W485-F488 HydrophobicContact CE3-CE1 4.43Å; W485-F488 HydrophobicContact CH2-CD1 4.47Å; W485-F488 HydrophobicContact CH2-CE1 4.31Å; W485-F488 AromaticContact CZ3-CD1 3.78Å; W485-F488 HydrophobicContact CZ3-CD1 3.78Å; W485-F488 AromaticContact CZ3-CE1 3.83Å; W485-F488 HydrophobicContact CZ3-CE1 3.83Å; W485-F488 PolarHBondContact O-N 3.28Å; W485-V489 VanDerWaalsContact O-CG2 3.27Å; W485-V489 WeakPolarHBondContact O-CG2 3.14Å; W485-V489 PolarHBondContact O-N 3.25Å; W485-V539 HydrophobicContact CH2-CG2 4.47Å; W485-V539 HydrophobicContact CZ2-CG1 4.13Å; W485-V539 HydrophobicContact CZ2-CG2 4.01Å; W485-Y664 HydrophobicContact CD2-CD2 4.07Å; W485-Y664 HydrophobicContact CD2-CG 4.46Å; W485-Y664 HydrophobicContact CG-CD2 4.21Å; W485-R665 HydrophobicContact CH2-CB 4.17Å; W485-L668 HydrophobicContact CZ3-CD2 4.26Å
486I77.9Confident81.3Confident31 Ų3125.1 Ų25.116%0.15912%0.123CC..Hα-helixtrans-60.7-48.3175.8-67.6167.4000110.7A471 G472 E482 Q483 V489 N490A471-I486 HydrophobicContact CB-CD1 4.3Å; A471-I486 HydrophobicContact CB-CG1 4.29Å; A471-I486 HydrophobicContact CB-CG2 3.91Å; G472-I486 WeakPolarHBondContact O-CG2 3.25Å; E482-I486 WeakPolarHBondContact O-CG1 3.23Å; E482-I486 PolarHBondContact O-N 2.72Å; Q483-I486 PolarHBondContact O-N 3.14Å; I486-V489 PolarHBondContact O-N 2.91Å; I486-N490 PolarHBondContact O-N 3.13Å; I486-N490 VanDerWaalsContact O-N 3.08Å; I486-N490 PolarHBondContact O-ND2 2.69Å
487N84Confident82Confident0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-70-36.6-177.6-68.3-14.7000111.6F473 E474 Q483 L484 N490 E491 Y597F473-N487 HydrophobicContact CD2-CB 4.1Å; F473-N487 HydrophobicContact CE1-CB 4.42Å; F473-N487 HydrophobicContact CE2-CB 3.57Å; F473-N487 HydrophobicContact CZ-CB 3.74Å; E474-N487 PolarHBondContact N-OD1 3.41Å; E474-N487 PolarHBondContact O-ND2 2.97Å; E474-N487 PolarHBondContact O-OD1 2.68Å; Q483-N487 WeakPolarHBondContact O-CB 3.15Å; Q483-N487 VanDerWaalsContact O-CG 3.3Å; Q483-N487 PolarHBondContact O-N 2.94Å; Q483-N487 PolarHBondContact O-ND2 3.34Å; L484-N487 PolarHBondContact O-N 2.94Å; N487-N490 PolarHBondContact O-N 3.26Å; N487-E491 PolarHBondContact O-N 3.2Å; N487-Y597 WeakPolarHBondContact CB-OH 3.28Å; N487-Y597 PolarHBondContact ND2-OH 2.73Å
488F86.8Confident82.7Confident3 Ų314.9 Ų14.91%0.0137%0.07CC..Hα-helixtrans-63.2-40.2172.9174.7-126.8000113.3L484 W485 E491 K492 I529 I532 E533 L668L484-F488 WeakPolarHBondContact O-CB 3.4Å; L484-F488 PolarHBondContact O-N 3.2Å; W485-F488 AromaticContact CE3-CD1 3.91Å; W485-F488 HydrophobicContact CE3-CD1 3.91Å; W485-F488 HydrophobicContact CE3-CE1 4.43Å; W485-F488 HydrophobicContact CH2-CD1 4.47Å; W485-F488 HydrophobicContact CH2-CE1 4.31Å; W485-F488 AromaticContact CZ3-CD1 3.78Å; W485-F488 HydrophobicContact CZ3-CD1 3.78Å; W485-F488 AromaticContact CZ3-CE1 3.83Å; W485-F488 HydrophobicContact CZ3-CE1 3.83Å; W485-F488 PolarHBondContact O-N 3.28Å; F488-E491 WeakPolarHBondContact O-CB 3.18Å; F488-E491 PolarHBondContact O-N 2.87Å; F488-K492 HydrophobicContact CE1-CD 4.43Å; F488-K492 HydrophobicContact CE2-CD 4.21Å; F488-K492 HydrophobicContact CE2-CG 4.29Å; F488-K492 HydrophobicContact CZ-CD 3.94Å; F488-K492 PolarHBondContact O-N 3Å; F488-I529 HydrophobicContact CE2-CG2 4.14Å; F488-I532 HydrophobicContact CB-CD1 4.24Å; F488-I532 HydrophobicContact CB-CG2 4.44Å; F488-I532 HydrophobicContact CD1-CG2 4.16Å; F488-I532 HydrophobicContact CD2-CB 3.89Å; F488-I532 HydrophobicContact CD2-CD1 3.75Å; F488-I532 HydrophobicContact CD2-CG1 4.42Å; F488-I532 HydrophobicContact CD2-CG2 3.61Å; F488-I532 HydrophobicContact CE1-CG2 4.3Å; F488-I532 HydrophobicContact CE2-CB 3.89Å; F488-I532 HydrophobicContact CE2-CG2 3.76Å; F488-I532 HydrophobicContact CG-CD1 4.31Å; F488-I532 HydrophobicContact CG-CG2 3.82Å; F488-I532 HydrophobicContact CZ-CG2 4.12Å; F488-E533 HydrophobicContact CE2-CB 4.4Å; F488-E533 HydrophobicContact CZ-CB 3.95Å; F488-L668 HydrophobicContact CD1-CD2 3.91Å; F488-L668 HydrophobicContact CE1-CD2 3.62Å; F488-L668 HydrophobicContact CZ-CD2 4.41Å
489V84.3Confident83.2Confident28 Ų2812 Ų1217%0.176%0.059CC..Hα-helixtrans-65.1-41.4173.8174.50000110.8I470 W485 I486 K492 L493 L668I470-V489 HydrophobicContact CD1-CG1 4.11Å; W485-V489 VanDerWaalsContact O-CG2 3.27Å; W485-V489 WeakPolarHBondContact O-CG2 3.14Å; W485-V489 PolarHBondContact O-N 3.25Å; I486-V489 PolarHBondContact O-N 2.91Å; V489-K492 PolarHBondContact O-N 2.82Å; V489-L493 HydrophobicContact CG1-CD1 4.1Å; V489-L493 WeakPolarHBondContact O-CG 3.42Å; V489-L493 PolarHBondContact O-N 2.71Å; V489-L668 HydrophobicContact CG1-CD1 4.21Å; V489-L668 HydrophobicContact CG2-CD1 3.9Å; V489-L668 HydrophobicContact CG2-CD2 3.76Å; V489-L668 HydrophobicContact CG2-CG 4.44Å
490N82.6Confident83.3Confident7 Ų713.7 Ų13.74%0.0377%0.066CC..Hα-helixtrans-64.6-39.9174.7-78.6-93.2000111.7A471 F473 I486 N487 L493 Q494 Y591A471-N490 PolarHBondContact O-ND2 3.48Å; F473-N490 HydrophobicContact CB-CB 4.47Å; F473-N490 HydrophobicContact CD2-CB 3.88Å; F473-N490 PolarHBondContact N-OD1 2.85Å; I486-N490 PolarHBondContact O-N 3.13Å; I486-N490 VanDerWaalsContact O-N 3.08Å; I486-N490 PolarHBondContact O-ND2 2.69Å; N487-N490 PolarHBondContact O-N 3.26Å; N490-L493 PolarHBondContact O-N 2.82Å; N490-Q494 WeakPolarHBondContact O-CB 3.44Å; N490-Q494 PolarHBondContact O-N 3.13Å; N490-Y591 HydrophobicContact CB-CE1 4.32Å
491E86.6Confident83Confident0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-58.7-49.1173.6-151.887.4-156.700111.2N487 F488 L493 Q494 Q495 L525 C528 I529 H590 Y591N487-E491 PolarHBondContact O-N 3.2Å; F488-E491 WeakPolarHBondContact O-CB 3.18Å; F488-E491 PolarHBondContact O-N 2.87Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.2Å; E491-Q494 PolarHBondContact O-N 2.77Å; E491-Q495 WeakPolarHBondContact O-CB 3.27Å; E491-Q495 PolarHBondContact O-N 3.18Å; E491-L525 HydrophobicContact CG-CB 4.37Å; E491-L525 HydrophobicContact CG-CD1 4.41Å; E491-C528 HydrophobicContact CG-CB 4.17Å; E491-C528 PolarHBondContact OE1-SG 3.29Å; E491-C528 VanDerWaalsContact OE1-SG 3.34Å; E491-I529 HydrophobicContact CB-CG1 4.34Å; E491-I529 HydrophobicContact CG-CG1 3.99Å; E491-H590 VanDerWaalsContact OE2-CB 3.31Å; E491-H590 WeakPolarHBondContact OE2-CB 3.35Å; E491-H590 IonicContact OE2-CE1 2.72Å; E491-H590 IonicContact OE2-CG 3.17Å; E491-H590 IonicContact OE2-ND1 2.73Å; E491-H590 PolarHBondContact OE2-ND1 2.68Å; E491-Y591 PolarHBondContact OE1-N 3.28Å
492K87.8Confident82.8Confident12 Ų1214.6 Ų14.65%0.0527%0.07CC..Hα-helixtrans-61.4-38.1177.4-95.5-173.9168.1-179.60112.9F488 V489 F496 I529 E533 L668 N669 M672F488-K492 HydrophobicContact CE1-CD 4.43Å; F488-K492 HydrophobicContact CE2-CD 4.21Å; F488-K492 HydrophobicContact CE2-CG 4.29Å; F488-K492 HydrophobicContact CZ-CD 3.94Å; F488-K492 PolarHBondContact O-N 3Å; V489-K492 PolarHBondContact O-N 2.82Å; K492-F496 WeakPolarHBondContact O-CB 3.5Å; K492-F496 PolarHBondContact O-N 3.48Å; K492-I529 HydrophobicContact CG-CD1 4.01Å; K492-I529 HydrophobicContact CG-CG1 4.19Å; K492-I529 HydrophobicContact CG-CG2 4.14Å; K492-E533 WeakPolarHBondContact CE-OE2 3.42Å; K492-E533 IonicContact NZ-OE1 2.76Å; K492-E533 PolarHBondContact NZ-OE1 3.48Å; K492-E533 IonicContact NZ-OE2 3.92Å; K492-E533 PolarHBondContact NZ-OE2 3.31Å; K492-L668 HydrophobicContact CD-CD2 3.83Å; K492-L668 HydrophobicContact CD-CG 4.16Å; K492-N669 PolarHBondContact NZ-OD1 2.81Å; K492-M672 HydrophobicContact CB-CE 3.97Å; K492-M672 HydrophobicContact CB-SD 4.29Å; K492-M672 HydrophobicContact CD-CG 4.46Å; K492-M672 HydrophobicContact CG-CE 4.43Å; K492-M672 WeakPolarHBondContact O-CE 3.47Å
493L86.1Confident82.9Confident6 Ų616 Ų163%0.0318%0.08CC..Hα-helixtrans-76.5-32.7177.3-69.1173.1000113L169 L468 I470 V489 N490 E491 F496 F497 M672 L675L169-L493 HydrophobicContact CD2-CD2 4.21Å; L468-L493 HydrophobicContact CD2-CD1 3.79Å; L468-L493 HydrophobicContact CD2-CD2 3.91Å; I470-L493 HydrophobicContact CD1-CD1 3.45Å; I470-L493 VanDerWaalsContact CD1-CD1 3.45Å; I470-L493 HydrophobicContact CG1-CD1 4.17Å; V489-L493 HydrophobicContact CG1-CD1 4.1Å; V489-L493 WeakPolarHBondContact O-CG 3.42Å; V489-L493 PolarHBondContact O-N 2.71Å; N490-L493 PolarHBondContact O-N 2.82Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.2Å; L493-F496 PolarHBondContact O-N 2.99Å; L493-F497 PolarHBondContact O-N 3.28Å; L493-M672 HydrophobicContact CD2-SD 3.95Å; L493-L675 HydrophobicContact CD2-CD1 3.76Å
494Q84.8Confident82.9Confident4 Ų418.4 Ų18.42%0.0199%0.093CC..Hα-helixtrans-65.8-41.3170-173.562.336.500110.5N490 E491 F497 N498 L525 Y591 N709N490-Q494 WeakPolarHBondContact O-CB 3.44Å; N490-Q494 PolarHBondContact O-N 3.13Å; E491-Q494 PolarHBondContact O-N 2.77Å; Q494-F497 WeakPolarHBondContact O-CB 3.5Å; Q494-F497 PolarHBondContact O-N 3.47Å; Q494-N498 PolarHBondContact NE2-OD1 2.98Å; Q494-N498 PolarHBondContact O-N 2.89Å; Q494-N498 PolarHBondContact O-OD1 3.02Å; Q494-L525 HydrophobicContact CB-CD1 3.71Å; Q494-L525 HydrophobicContact CG-CD1 3.53Å; Q494-Y591 HydrophobicContact CB-CD1 4.31Å; Q494-Y591 HydrophobicContact CB-CE1 4.19Å; Q494-Y591 HydrophobicContact CG-CD2 4.11Å; Q494-Y591 HydrophobicContact CG-CE2 4.27Å; Q494-Y591 HydrophobicContact CG-CG 4.23Å; Q494-N709 PolarHBondContact NE2-O 2.74Å
495Q87.2Confident82.3Confident29 Ų2919 Ų1914%0.13610%0.096CC..Hα-helixtrans-64.7-38.1172.8-174.966.5-2.200112.3E491 F497 N498 H499 D524 L525 I529E491-Q495 WeakPolarHBondContact O-CB 3.27Å; E491-Q495 PolarHBondContact O-N 3.18Å; Q495-F497 VanDerWaalsContact C-N 3.33Å; Q495-F497 PolarHBondContact O-N 3.02Å; Q495-N498 PolarHBondContact O-N 3.13Å; Q495-H499 WeakPolarHBondContact O-CB 3.46Å; Q495-H499 PolarHBondContact O-N 2.78Å; Q495-D524 PolarHBondContact NE2-OD1 3.49Å; Q495-L525 HydrophobicContact CB-CB 4.3Å; Q495-I529 HydrophobicContact CB-CD1 3.44Å; Q495-I529 VanDerWaalsContact CB-CD1 3.44Å; Q495-I529 HydrophobicContact CG-CD1 3.71Å
496F87.3Confident82Confident7 Ų718.5 Ų18.53%0.0319%0.094CC..Hα-helixtrans-60.5-41.7173.3177.2-86.7000111.6L169 K492 L493 H500 M672 L675 R676 P680 F682L169-F496 HydrophobicContact CD1-CE1 4.44Å; L169-F496 HydrophobicContact CD2-CD1 3.97Å; L169-F496 HydrophobicContact CD2-CE1 3.8Å; K492-F496 WeakPolarHBondContact O-CB 3.5Å; K492-F496 PolarHBondContact O-N 3.48Å; L493-F496 PolarHBondContact O-N 2.99Å; F496-H500 AromaticContact CD1-ND1 3.86Å; F496-H500 AromaticContact CD2-CE1 3.58Å; F496-H500 AromaticContact CD2-ND1 3.81Å; F496-H500 AromaticContact CE1-CE1 3.91Å; F496-H500 AromaticContact CE1-ND1 3.77Å; F496-H500 AromaticContact CE2-CE1 3.17Å; F496-H500 WeakPolarHBondContact CE2-CE1 3.24Å; F496-H500 AromaticContact CE2-ND1 3.74Å; F496-H500 AromaticContact CE2-NE2 3.96Å; F496-H500 AromaticContact CG-ND1 3.86Å; F496-H500 AromaticContact CZ-CE1 3.34Å; F496-H500 WeakPolarHBondContact CZ-CE1 3.32Å; F496-H500 AromaticContact CZ-ND1 3.7Å; F496-H500 AromaticContact CZ-NE2 3.83Å; F496-H500 WeakPolarHBondContact O-CB 3.19Å; F496-H500 PolarHBondContact O-N 2.71Å; F496-H500 PolarHBondContact O-ND1 2.77Å; F496-M672 HydrophobicContact CB-CE 4.05Å; F496-M672 HydrophobicContact CD2-CE 4.3Å; F496-L675 HydrophobicContact CE2-CB 3.75Å; F496-L675 HydrophobicContact CZ-CB 3.81Å; F496-R676 HydrophobicContact CD2-CG 4.32Å; F496-R676 HydrophobicContact CE2-CG 3.9Å; F496-P680 HydrophobicContact CE1-CB 3.76Å; F496-P680 HydrophobicContact CE1-CG 4.06Å; F496-P680 HydrophobicContact CZ-CB 4.08Å; F496-P680 HydrophobicContact CZ-CG 4.21Å; F496-F682 HydrophobicContact CD1-CE1 4.03Å; F496-F682 AromaticContact CD1-CZ 3.84Å; F496-F682 HydrophobicContact CD1-CZ 3.84Å; F496-F682 HydrophobicContact CE1-CE1 4.17Å; F496-F682 AromaticContact CE1-CZ 3.78Å; F496-F682 HydrophobicContact CE1-CZ 3.78Å
497F84.8Confident81.9Confident0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-64.9-50.5172.5170.4-93.9000112.1F115 L493 Q494 Q495 H499 H500 M501 F502 F682 N709F115-F497 HydrophobicContact CD1-CE2 4.19Å; F115-F497 HydrophobicContact CD1-CZ 4.3Å; F115-F497 HydrophobicContact CE1-CZ 4.17Å; F115-F497 HydrophobicContact CG-CE2 4.42Å; F115-F497 HydrophobicContact CZ-CZ 4.47Å; L493-F497 PolarHBondContact O-N 3.28Å; Q494-F497 WeakPolarHBondContact O-CB 3.5Å; Q494-F497 PolarHBondContact O-N 3.47Å; Q495-F497 VanDerWaalsContact C-N 3.33Å; Q495-F497 PolarHBondContact O-N 3.02Å; F497-H499 VanDerWaalsContact C-N 3.25Å; F497-H499 PolarHBondContact O-N 3.27Å; F497-H500 PolarHBondContact O-N 2.65Å; F497-M501 HydrophobicContact CD1-CG 4.37Å; F497-M501 HydrophobicContact CD2-CG 3.63Å; F497-M501 HydrophobicContact CE1-CG 4.29Å; F497-M501 HydrophobicContact CE2-CG 3.54Å; F497-M501 HydrophobicContact CE2-SD 4.2Å; F497-M501 HydrophobicContact CG-CG 4.08Å; F497-M501 HydrophobicContact CZ-CG 3.9Å; F497-M501 VanDerWaalsContact O-CB 3.24Å; F497-M501 WeakPolarHBondContact O-CB 3.17Å; F497-M501 WeakPolarHBondContact O-CG 2.97Å; F497-M501 PolarHBondContact O-N 2.96Å; F497-F502 HydrophobicContact CE1-CE1 4.33Å; F497-F502 HydrophobicContact CE1-CZ 4.07Å; F497-F682 HydrophobicContact CB-CD1 4.38Å; F497-F682 HydrophobicContact CB-CE1 3.8Å; F497-F682 HydrophobicContact CB-CZ 4.07Å; F497-F682 HydrophobicContact CD2-CB 4.28Å; F497-F682 AromaticContact CD2-CD1 3.65Å; F497-F682 HydrophobicContact CD2-CD1 3.65Å; F497-F682 AromaticContact CD2-CD2 3.89Å; F497-F682 HydrophobicContact CD2-CD2 3.89Å; F497-F682 AromaticContact CD2-CE1 3.81Å; F497-F682 HydrophobicContact CD2-CE1 3.81Å; F497-F682 HydrophobicContact CD2-CE2 4.05Å; F497-F682 AromaticContact CD2-CG 3.68Å; F497-F682 HydrophobicContact CD2-CG 3.68Å; F497-F682 HydrophobicContact CD2-CZ 4.01Å; F497-F682 HydrophobicContact CE2-CB 4.32Å; F497-F682 HydrophobicContact CE2-CD1 4.49Å; F497-F682 HydrophobicContact CE2-CD2 4.36Å; F497-F682 HydrophobicContact CE2-CG 4.16Å; F497-F682 HydrophobicContact CG-CD1 4.49Å; F497-F682 HydrophobicContact CG-CE1 4.31Å; F497-N709 WeakPolarHBondContact CE1-O 3.1Å
498N82.9Confident81.4Confident7 Ų723.3 Ų23.34%0.03712%0.117CC..Hα-helixtrans-58-41178.7-64.1-3.5000110.6Q494 Q495 F502 V503 L523Q494-N498 PolarHBondContact NE2-OD1 2.98Å; Q494-N498 PolarHBondContact O-N 2.89Å; Q494-N498 PolarHBondContact O-OD1 3.02Å; Q495-N498 PolarHBondContact O-N 3.13Å; N498-F502 HydrophobicContact CB-CD2 3.9Å; N498-F502 HydrophobicContact CB-CE2 3.92Å; N498-F502 WeakPolarHBondContact O-CA 2.99Å; N498-F502 WeakPolarHBondContact O-CB 3.4Å; N498-F502 WeakPolarHBondContact O-CD2 3.18Å; N498-F502 VanDerWaalsContact O-CG 3.27Å; N498-F502 WeakPolarHBondContact O-CG 3.15Å; N498-F502 PolarHBondContact O-N 3.26Å; N498-V503 PolarHBondContact O-N 3.41Å; N498-L523 PolarHBondContact ND2-O 2.77Å
499H82.3Confident81.2Confident59 Ų5923.2 Ų23.227%0.27312%0.116SC..Iπ-helixtrans-66.4-48.1176.4-176.367.1000112.7Q495 F497 V503 L504Q495-H499 WeakPolarHBondContact O-CB 3.46Å; Q495-H499 PolarHBondContact O-N 2.78Å; F497-H499 VanDerWaalsContact C-N 3.25Å; F497-H499 PolarHBondContact O-N 3.27Å; H499-V503 CarbonylContact O-C 3.07Å; H499-V503 WeakPolarHBondContact O-CA 3.4Å; H499-V503 WeakPolarHBondContact O-CB 3.47Å; H499-V503 PolarHBondContact O-N 2.84Å; H499-L504 PolarHBondContact O-N 3.44Å
500H79.1Confident80.8Confident37 Ų3729.9 Ų29.917%0.17114%0.143CC..Iπ-helixtrans-68.9-44.1179.6-77.276.3000113.1F496 F497 P680 F682F496-H500 AromaticContact CD1-ND1 3.86Å; F496-H500 AromaticContact CD2-CE1 3.58Å; F496-H500 AromaticContact CD2-ND1 3.81Å; F496-H500 AromaticContact CE1-CE1 3.91Å; F496-H500 AromaticContact CE1-ND1 3.77Å; F496-H500 AromaticContact CE2-CE1 3.17Å; F496-H500 WeakPolarHBondContact CE2-CE1 3.24Å; F496-H500 AromaticContact CE2-ND1 3.74Å; F496-H500 AromaticContact CE2-NE2 3.96Å; F496-H500 AromaticContact CG-ND1 3.86Å; F496-H500 AromaticContact CZ-CE1 3.34Å; F496-H500 WeakPolarHBondContact CZ-CE1 3.32Å; F496-H500 AromaticContact CZ-ND1 3.7Å; F496-H500 AromaticContact CZ-NE2 3.83Å; F496-H500 WeakPolarHBondContact O-CB 3.19Å; F496-H500 PolarHBondContact O-N 2.71Å; F496-H500 PolarHBondContact O-ND1 2.77Å; F497-H500 PolarHBondContact O-N 2.65Å; H500-P680 HydrophobicContact CB-CG 4.44Å; H500-F682 HydrophobicContact CB-CE2 4.41Å; H500-F682 HydrophobicContact CB-CZ 4.45Å
501M74.6Confident80.3Confident12 Ų1232.9 Ų32.96%0.05916%0.164CC..Iπ-helixtrans-75.3-34.8-177.4-69.8-67.4-50.400113.1L114 F115 F497 F682L114-M501 HydrophobicContact CB-CE 4.17Å; L114-M501 HydrophobicContact CB-SD 4.38Å; L114-M501 HydrophobicContact CD1-CE 4.18Å; L114-M501 HydrophobicContact CD1-SD 4.45Å; F115-M501 HydrophobicContact CD1-CE 4.02Å; F115-M501 HydrophobicContact CD1-SD 4.46Å; F115-M501 HydrophobicContact CE1-CE 4.22Å; F497-M501 HydrophobicContact CD1-CG 4.37Å; F497-M501 HydrophobicContact CD2-CG 3.63Å; F497-M501 HydrophobicContact CE1-CG 4.29Å; F497-M501 HydrophobicContact CE2-CG 3.54Å; F497-M501 HydrophobicContact CE2-SD 4.2Å; F497-M501 HydrophobicContact CG-CG 4.08Å; F497-M501 HydrophobicContact CZ-CG 3.9Å; F497-M501 VanDerWaalsContact O-CB 3.24Å; F497-M501 WeakPolarHBondContact O-CB 3.17Å; F497-M501 WeakPolarHBondContact O-CG 2.97Å; F497-M501 PolarHBondContact O-N 2.96Å; M501-F682 HydrophobicContact SD-CD2 4.45Å
502F77.1Confident79.7Confident10 Ų1033.2 Ų33.24%0.04417%0.166CC..Iπ-helixtrans-116.9-33.4-167.7-39.8-25.8000113.9F497 N498 Q506 F521 L523 E713 I717F497-F502 HydrophobicContact CE1-CE1 4.33Å; F497-F502 HydrophobicContact CE1-CZ 4.07Å; N498-F502 HydrophobicContact CB-CD2 3.9Å; N498-F502 HydrophobicContact CB-CE2 3.92Å; N498-F502 WeakPolarHBondContact O-CA 2.99Å; N498-F502 WeakPolarHBondContact O-CB 3.4Å; N498-F502 WeakPolarHBondContact O-CD2 3.18Å; N498-F502 VanDerWaalsContact O-CG 3.27Å; N498-F502 WeakPolarHBondContact O-CG 3.15Å; N498-F502 PolarHBondContact O-N 3.26Å; F502-Q506 VanDerWaalsContact O-CG 3.23Å; F502-Q506 WeakPolarHBondContact O-CG 3.26Å; F502-Q506 PolarHBondContact O-NE2 2.8Å; F502-F521 HydrophobicContact CB-CD2 4.35Å; F502-L523 HydrophobicContact CE2-CB 4.38Å; F502-L523 HydrophobicContact CE2-CD1 3.94Å; F502-L523 HydrophobicContact CZ-CD1 4.44Å; F502-E713 HydrophobicContact CE1-CB 4.41Å; F502-E713 HydrophobicContact CE2-CB 4.48Å; F502-E713 HydrophobicContact CZ-CB 3.97Å; F502-I717 HydrophobicContact CB-CD1 3.84Å; F502-I717 HydrophobicContact CD1-CD1 3.11Å; F502-I717 HydrophobicContact CE1-CD1 3.83Å; F502-I717 HydrophobicContact CG-CD1 3.67Å
503V77Confident78.8Confident50 Ų5034.6 Ų34.630%0.30318%0.183SC..Iπ-helixtrans-92.3-60.4-176.4-177.70000110.3N498 H499 E505 Q506 E507N498-V503 PolarHBondContact O-N 3.41Å; H499-V503 CarbonylContact O-C 3.07Å; H499-V503 WeakPolarHBondContact O-CA 3.4Å; H499-V503 WeakPolarHBondContact O-CB 3.47Å; H499-V503 PolarHBondContact O-N 2.84Å; V503-E505 VanDerWaalsContact C-N 3.29Å; V503-E505 PolarHBondContact O-N 3.35Å; V503-Q506 PolarHBondContact O-N 3.1Å; V503-Q506 VanDerWaalsContact O-N 3.1Å; V503-E507 HydrophobicContact CG1-CG 4.21Å; V503-E507 WeakPolarHBondContact O-CB 3.24Å; V503-E507 WeakPolarHBondContact O-CG 3.3Å; V503-E507 PolarHBondContact O-N 3.06Å
504L76.8Confident78.4Confident65 Ų6535 Ų3534%0.3419%0.186SC..Iπ-helixtrans-59.8-37.2-176.9-67.5-178.2000112.8H499 E507 L508H499-L504 PolarHBondContact O-N 3.44Å; L504-E507 PolarHBondContact O-N 3.46Å; L504-L508 VanDerWaalsContact O-CB 3.3Å; L504-L508 WeakPolarHBondContact O-CB 2.93Å; L504-L508 PolarHBondContact O-N 3.06Å
505E74.3Confident77.8Confident18 Ų1839.1 Ų39.18%0.08422%0.22CC..Hα-helixtrans-68.8-37.7177.7-168.665.9-171.600111.9V503 Y509 R725V503-E505 VanDerWaalsContact C-N 3.29Å; V503-E505 PolarHBondContact O-N 3.35Å; E505-Y509 HydrophobicContact CG-CE1 3.96Å; E505-Y509 HydrophobicContact CG-CE2 4.25Å; E505-Y509 WeakPolarHBondContact CG-OH 3.3Å; E505-Y509 VanDerWaalsContact O-CD1 3.25Å; E505-Y509 WeakPolarHBondContact O-CD1 3.49Å; E505-Y509 VanDerWaalsContact O-CG 3.24Å; E505-Y509 PolarHBondContact O-N 3.03Å; E505-Y509 VanDerWaalsContact O-N 3.1Å; E505-Y509 WeakPolarHBondContact OE1-CE1 3.34Å; E505-Y509 VanDerWaalsContact OE1-CZ 3.26Å; E505-Y509 PolarHBondContact OE1-OH 3.27Å; E505-R725 IonicContact OE1-NH1 3.74Å; E505-R725 IonicContact OE2-CZ 2.65Å; E505-R725 IonicContact OE2-NH1 3.47Å; E505-R725 PolarHBondContact OE2-NH1 3Å
506Q78.2Confident77.3Confident4 Ų439.9 Ų39.92%0.01922%0.222CC..Hα-helixtrans-75.7-33.4174.4-67.9-168.292.100112.8F502 V503 L508 Y509 K510 W516 F518 I519F502-Q506 VanDerWaalsContact O-CG 3.23Å; F502-Q506 WeakPolarHBondContact O-CG 3.26Å; F502-Q506 PolarHBondContact O-NE2 2.8Å; V503-Q506 PolarHBondContact O-N 3.1Å; V503-Q506 VanDerWaalsContact O-N 3.1Å; Q506-L508 VanDerWaalsContact C-N 3.34Å; Q506-Y509 PolarHBondContact O-N 3.42Å; Q506-K510 WeakPolarHBondContact O-CB 3.21Å; Q506-K510 PolarHBondContact O-N 3.25Å; Q506-W516 HydrophobicContact CG-CZ2 4.31Å; Q506-F518 HydrophobicContact CB-CD2 3.96Å; Q506-F518 HydrophobicContact CB-CE2 3.78Å; Q506-I519 PolarHBondContact NE2-O 3.48Å; Q506-I519 PolarHBondContact OE1-O 3.44Å
507E76Confident76.6Confident98 Ų9846.5 Ų46.546%0.45826%0.258SS..Hα-helixtrans-65.6-37.7171.6-73.7-175.8149.400111.3V503 L504 K510 S511V503-E507 HydrophobicContact CG1-CG 4.21Å; V503-E507 WeakPolarHBondContact O-CB 3.24Å; V503-E507 WeakPolarHBondContact O-CG 3.3Å; V503-E507 PolarHBondContact O-N 3.06Å; L504-E507 PolarHBondContact O-N 3.46Å; E507-K510 WeakPolarHBondContact O-CB 3.38Å; E507-K510 PolarHBondContact O-N 2.89Å; E507-S511 WeakPolarHBondContact O-CB 3.19Å; E507-S511 PolarHBondContact O-N 3.39Å; E507-S511 PolarHBondContact O-OG 3.22Å
508L73.8Confident76Confident33 Ų3352.7 Ų52.717%0.17329%0.285CS..Hα-helixtrans-63.3-47172.4178.162.8000111.8L504 Q506 K510 S511 E512 R725 F805L504-L508 VanDerWaalsContact O-CB 3.3Å; L504-L508 WeakPolarHBondContact O-CB 2.93Å; L504-L508 PolarHBondContact O-N 3.06Å; Q506-L508 VanDerWaalsContact C-N 3.34Å; L508-K510 PolarHBondContact O-N 3.21Å; L508-S511 WeakPolarHBondContact CA-OG 3.12Å; L508-S511 PolarHBondContact O-N 2.85Å; L508-S511 PolarHBondContact O-OG 3.21Å; L508-E512 HydrophobicContact CD1-CG 4.06Å; L508-E512 WeakPolarHBondContact O-CB 3.42Å; L508-E512 PolarHBondContact O-N 2.74Å; L508-R725 VanDerWaalsContact CD2-CZ 3.5Å; L508-R725 VanDerWaalsContact CD2-NH1 3.26Å; L508-F805 HydrophobicContact CD1-CZ 4.35Å; L508-F805 HydrophobicContact CD2-CE1 3.8Å; L508-F805 HydrophobicContact CD2-CZ 4.06Å; L508-F805 HydrophobicContact CG-CE1 4.07Å; L508-F805 HydrophobicContact CG-CZ 3.94Å
509Y81Confident75.3Confident2 Ų254.2 Ų54.21%0.00829%0.293CS..Hα-helixtrans-59.8-37.7176.3-62.6-9.2000111.6E505 Q506 G513 I514 W516 F722 F805E505-Y509 HydrophobicContact CG-CE1 3.96Å; E505-Y509 HydrophobicContact CG-CE2 4.25Å; E505-Y509 WeakPolarHBondContact CG-OH 3.3Å; E505-Y509 VanDerWaalsContact O-CD1 3.25Å; E505-Y509 WeakPolarHBondContact O-CD1 3.49Å; E505-Y509 VanDerWaalsContact O-CG 3.24Å; E505-Y509 PolarHBondContact O-N 3.03Å; E505-Y509 VanDerWaalsContact O-N 3.1Å; E505-Y509 WeakPolarHBondContact OE1-CE1 3.34Å; E505-Y509 VanDerWaalsContact OE1-CZ 3.26Å; E505-Y509 PolarHBondContact OE1-OH 3.27Å; Q506-Y509 PolarHBondContact O-N 3.42Å; Y509-G513 PolarHBondContact O-N 2.8Å; Y509-G513 VanDerWaalsContact O-N 3.13Å; Y509-I514 HydrophobicContact CD1-CD1 3.55Å; Y509-I514 HydrophobicContact CE1-CD1 4.36Å; Y509-I514 HydrophobicContact CG-CD1 3.92Å; Y509-I514 PolarHBondContact O-N 3.47Å; Y509-W516 HydrophobicContact CD2-CB 4.26Å; Y509-W516 AromaticContact CD2-CD2 3.67Å; Y509-W516 HydrophobicContact CD2-CD2 3.67Å; Y509-W516 HydrophobicContact CD2-CE3 4.03Å; Y509-W516 AromaticContact CD2-CG 3.76Å; Y509-W516 HydrophobicContact CD2-CG 3.76Å; Y509-W516 HydrophobicContact CE2-CD2 4.21Å; Y509-W516 HydrophobicContact CE2-CE3 4.21Å; Y509-W516 HydrophobicContact CE2-CZ3 4.42Å; Y509-W516 HydrophobicContact CG-CG 4.49Å; Y509-F722 PolarHBondContact OH-N 3.2Å; Y509-F722 PolarHBondContact OH-O 2.68Å; Y509-F805 HydrophobicContact CD1-CD1 4.22Å; Y509-F805 AromaticContact CD1-CE1 3.99Å; Y509-F805 HydrophobicContact CD1-CE1 3.99Å; Y509-F805 AromaticContact CE1-CD1 3.91Å; Y509-F805 HydrophobicContact CE1-CD1 3.91Å; Y509-F805 AromaticContact CE1-CE1 3.93Å; Y509-F805 HydrophobicContact CE1-CE1 3.93Å
510K77.2Confident74.6Confident167 Ų16757.7 Ų57.773%0.72631%0.313SS*.Hα-helixtrans-69.6-41.5175.2-178.3-177.1176.3-174.40112.9Q506 E507 L508 G513Q506-K510 WeakPolarHBondContact O-CB 3.21Å; Q506-K510 PolarHBondContact O-N 3.25Å; E507-K510 WeakPolarHBondContact O-CB 3.38Å; E507-K510 PolarHBondContact O-N 2.89Å; L508-K510 PolarHBondContact O-N 3.21Å; K510-G513 PolarHBondContact O-N 3.3Å
511S71.4Confident73.9Confident70 Ų7057.6 Ų57.649%0.4931%0.312SS..Hα-helixtrans-71.3-34.3178.964.30000112.6E507 L508 G513E507-S511 WeakPolarHBondContact O-CB 3.19Å; E507-S511 PolarHBondContact O-N 3.39Å; E507-S511 PolarHBondContact O-OG 3.22Å; L508-S511 WeakPolarHBondContact CA-OG 3.12Å; L508-S511 PolarHBondContact O-N 2.85Å; L508-S511 PolarHBondContact O-OG 3.21Å; S511-G513 VanDerWaalsContact C-N 3.28Å
512E72.9Confident73.2Confident8 Ų860 Ų604%0.03734%0.339CS..THydrogen-bonded Turntrans-82.2-2.1173.9-75.4-65.4108.500113.4L508 I514 G774 I775 T776 W803 F805L508-E512 HydrophobicContact CD1-CG 4.06Å; L508-E512 WeakPolarHBondContact O-CB 3.42Å; L508-E512 PolarHBondContact O-N 2.74Å; E512-I514 VanDerWaalsContact C-N 3.33Å; E512-I514 HydrophobicContact CB-CG1 4.23Å; E512-I514 PolarHBondContact O-N 2.78Å; E512-G774 CarbonylContact O-C 3.58Å; E512-G774 WeakPolarHBondContact O-CA 2.96Å; E512-G774 WeakPolarHBondContact OE2-CA 2.97Å; E512-I775 WeakPolarHBondContact O-CG1 3.06Å; E512-I775 PolarHBondContact O-N 3.36Å; E512-T776 WeakPolarHBondContact OE1-CB 3.23Å; E512-T776 WeakPolarHBondContact OE1-CG2 3.49Å; E512-T776 PolarHBondContact OE1-OG1 3.35Å; E512-T776 PolarHBondContact OE2-OG1 2.92Å; E512-W803 PolarHBondContact OE2-N 3.18Å; E512-F805 HydrophobicContact CB-CE2 3.87Å; E512-F805 HydrophobicContact CB-CZ 4.16Å; E512-F805 HydrophobicContact CG-CE2 3.87Å; E512-F805 HydrophobicContact CG-CZ 3.9Å
513G69.5Low72.7Confident40 Ų4062.2 Ų62.241%0.41235%0.352SS..THydrogen-bonded Turntrans68.427.3174.800000114.7Y509 K510 S511 I775Y509-G513 PolarHBondContact O-N 2.8Å; Y509-G513 VanDerWaalsContact O-N 3.13Å; K510-G513 PolarHBondContact O-N 3.3Å; S511-G513 VanDerWaalsContact C-N 3.28Å; G513-I775 WeakPolarHBondContact O-CD1 3.39Å
514I78.2Confident72.7Confident15 Ų1565 Ų658%0.07737%0.365CS..  trans-66.9147.4175.5-52.7178.5000109.6Y509 E512 W516 F722 Q772 F805Y509-I514 HydrophobicContact CD1-CD1 3.55Å; Y509-I514 HydrophobicContact CE1-CD1 4.36Å; Y509-I514 HydrophobicContact CG-CD1 3.92Å; Y509-I514 PolarHBondContact O-N 3.47Å; E512-I514 VanDerWaalsContact C-N 3.33Å; E512-I514 HydrophobicContact CB-CG1 4.23Å; E512-I514 PolarHBondContact O-N 2.78Å; I514-W516 PolarHBondContact O-N 2.98Å; I514-F722 HydrophobicContact CG2-CE2 4.4Å; I514-Q772 HydrophobicContact CG2-CB 3.82Å; I514-Q772 HydrophobicContact CG2-CG 3.78Å; I514-F805 HydrophobicContact CD1-CB 4.22Å; I514-F805 HydrophobicContact CD1-CD1 3.89Å; I514-F805 HydrophobicContact CD1-CD2 3.37Å; I514-F805 HydrophobicContact CD1-CE1 4.05Å; I514-F805 HydrophobicContact CD1-CE2 3.54Å; I514-F805 HydrophobicContact CD1-CG 3.56Å; I514-F805 HydrophobicContact CD1-CZ 3.89Å; I514-F805 HydrophobicContact CG1-CD2 4.18Å; I514-F805 HydrophobicContact CG1-CE2 4.24Å
515A72.8Confident73.1Confident90 Ų9062.9 Ų62.974%0.74435%0.354SS*.SBendtrans-68.476.7170.300000111.6
516W76Confident73.6Confident46 Ų4665.5 Ų65.517%0.17437%0.366CS..  trans-122.4125.9-178.4179.3-101.6000111.9Q506 Y509 I514 I519 K720Q506-W516 HydrophobicContact CG-CZ2 4.31Å; Y509-W516 HydrophobicContact CD2-CB 4.26Å; Y509-W516 AromaticContact CD2-CD2 3.67Å; Y509-W516 HydrophobicContact CD2-CD2 3.67Å; Y509-W516 HydrophobicContact CD2-CE3 4.03Å; Y509-W516 AromaticContact CD2-CG 3.76Å; Y509-W516 HydrophobicContact CD2-CG 3.76Å; Y509-W516 HydrophobicContact CE2-CD2 4.21Å; Y509-W516 HydrophobicContact CE2-CE3 4.21Å; Y509-W516 HydrophobicContact CE2-CZ3 4.42Å; Y509-W516 HydrophobicContact CG-CG 4.49Å; I514-W516 PolarHBondContact O-N 2.98Å; W516-I519 HydrophobicContact CH2-CD1 4.17Å; W516-I519 HydrophobicContact CZ2-CD1 3.99Å; W516-I519 HydrophobicContact CZ2-CG1 4.19Å; W516-K720 HydrophobicContact CH2-CB 3.75Å; W516-K720 HydrophobicContact CZ3-CB 3.98Å
517N73.2Confident74Confident146 Ų14667.2 Ų67.278%0.78138%0.381SS*.PPolyproline II helixtrans-83.6118.3170-69.8-23.6000108.8I519N517-I519 WeakPolarHBondContact O-CG1 3.01Å; N517-I519 PolarHBondContact O-N 2.84Å
518F71.4Confident74.6Confident129 Ų12962.6 Ų62.657%0.56636%0.359SS*.PPolyproline II helixtrans-61.4122.8179.8-167.8-87.1000110.9Q506Q506-F518 HydrophobicContact CB-CD2 3.96Å; Q506-F518 HydrophobicContact CB-CE2 3.78Å
519I69.2Low75.3Confident40 Ų4061.4 Ų61.421%0.20535%0.353CS..PPolyproline II helixtrans-102.1117.8178-53179.7000107.5Q506 W516 N517 F521 K720Q506-I519 PolarHBondContact NE2-O 3.48Å; Q506-I519 PolarHBondContact OE1-O 3.44Å; W516-I519 HydrophobicContact CH2-CD1 4.17Å; W516-I519 HydrophobicContact CZ2-CD1 3.99Å; W516-I519 HydrophobicContact CZ2-CG1 4.19Å; N517-I519 WeakPolarHBondContact O-CG1 3.01Å; N517-I519 PolarHBondContact O-N 2.84Å; I519-F521 HydrophobicContact CB-CD2 4.38Å; I519-F521 HydrophobicContact CB-CE2 3.58Å; I519-F521 HydrophobicContact CB-CZ 3.66Å; I519-F521 HydrophobicContact CD1-CZ 4.29Å; I519-F521 HydrophobicContact CG2-CD1 4.32Å; I519-F521 HydrophobicContact CG2-CD2 4.15Å; I519-F521 HydrophobicContact CG2-CE1 3.83Å; I519-F521 HydrophobicContact CG2-CE2 3.61Å; I519-F521 HydrophobicContact CG2-CG 4.46Å; I519-F521 HydrophobicContact CG2-CZ 3.41Å; I519-F521 VanDerWaalsContact CG2-CZ 3.41Å; I519-F521 WeakPolarHBondContact O-CD2 3.18Å; I519-F521 WeakPolarHBondContact O-CE2 3.36Å; I519-K720 HydrophobicContact CD1-CD 3.65Å
520D66.7Low75.6Confident132 Ų13264.5 Ų64.571%0.70637%0.367SS*.PPolyproline II helixtrans-79.2129.6163.5-178.811.5000109G522D520-G522 PolarHBondContact OD1-N 2.87Å
521F64.2Low76.2Confident35 Ų3556.7 Ų56.715%0.15433%0.334CS..  trans-102.7-6.9-179.9-67.1-88.7000112.7F502 I519 L523 E713 I717F502-F521 HydrophobicContact CB-CD2 4.35Å; I519-F521 HydrophobicContact CB-CD2 4.38Å; I519-F521 HydrophobicContact CB-CE2 3.58Å; I519-F521 HydrophobicContact CB-CZ 3.66Å; I519-F521 HydrophobicContact CD1-CZ 4.29Å; I519-F521 HydrophobicContact CG2-CD1 4.32Å; I519-F521 HydrophobicContact CG2-CD2 4.15Å; I519-F521 HydrophobicContact CG2-CE1 3.83Å; I519-F521 HydrophobicContact CG2-CE2 3.61Å; I519-F521 HydrophobicContact CG2-CG 4.46Å; I519-F521 HydrophobicContact CG2-CZ 3.41Å; I519-F521 VanDerWaalsContact CG2-CZ 3.41Å; I519-F521 WeakPolarHBondContact O-CD2 3.18Å; I519-F521 WeakPolarHBondContact O-CE2 3.36Å; F521-L523 PolarHBondContact O-N 3.32Å; F521-L523 VanDerWaalsContact O-N 3.09Å; F521-E713 HydrophobicContact CD1-CB 3.88Å; F521-E713 HydrophobicContact CD1-CG 3.93Å; F521-E713 HydrophobicContact CE1-CB 4.41Å; F521-I717 HydrophobicContact CD2-CD1 4.17Å; F521-I717 HydrophobicContact CE1-CD1 3.98Å; F521-I717 HydrophobicContact CE1-CG1 3.87Å; F521-I717 HydrophobicContact CE2-CD1 3.58Å; F521-I717 HydrophobicContact CE2-CG1 3.78Å; F521-I717 HydrophobicContact CZ-CD1 3.49Å; F521-I717 VanDerWaalsContact CZ-CD1 3.49Å; F521-I717 HydrophobicContact CZ-CG1 3.25Å
522G61.2Low77.1Confident61 Ų6153.4 Ų53.463%0.62931%0.311SS*.SBendtrans66.16.3178.600000115.8D520 D524D520-G522 PolarHBondContact OD1-N 2.87Å; G522-D524 PolarHBondContact O-N 3.43Å
523L66.5Low77.7Confident57 Ų5755.1 Ų55.130%0.29832%0.319SS..  trans-94.830.5-177.1-67.3179.5000113.3N498 F502 F521 L525 E713N498-L523 PolarHBondContact ND2-O 2.77Å; F502-L523 HydrophobicContact CE2-CB 4.38Å; F502-L523 HydrophobicContact CE2-CD1 3.94Å; F502-L523 HydrophobicContact CZ-CD1 4.44Å; F521-L523 PolarHBondContact O-N 3.32Å; F521-L523 VanDerWaalsContact O-N 3.09Å; L523-L525 PolarHBondContact O-N 2.81Å; L523-E713 HydrophobicContact CD1-CB 4.2Å; L523-E713 HydrophobicContact CD1-CG 3.77Å
524D75.6Confident78.2Confident110 Ų11058.5 Ų58.559%0.58832%0.322SS*.  trans-77.3113.7177-174.415.7000111.5Q495 G522 Q526Q495-D524 PolarHBondContact NE2-OD1 3.49Å; G522-D524 PolarHBondContact O-N 3.43Å; D524-Q526 WeakPolarHBondContact OD1-CB 2.99Å; D524-Q526 PolarHBondContact OD1-N 2.82Å
525L85.3Confident77.9Confident20 Ų2062.6 Ų62.611%0.10535%0.35CS..  trans-930.8178.5-52-178.9000112.8E491 Q494 Q495 L523 A527 C528 I529 Y591E491-L525 HydrophobicContact CG-CB 4.37Å; E491-L525 HydrophobicContact CG-CD1 4.41Å; Q494-L525 HydrophobicContact CB-CD1 3.71Å; Q494-L525 HydrophobicContact CG-CD1 3.53Å; Q495-L525 HydrophobicContact CB-CB 4.3Å; L523-L525 PolarHBondContact O-N 2.81Å; L525-A527 PolarHBondContact O-N 2.9Å; L525-C528 WeakPolarHBondContact O-CA 3.01Å; L525-C528 WeakPolarHBondContact O-CB 3Å; L525-C528 PolarHBondContact O-N 2.77Å; L525-I529 PolarHBondContact O-N 2.76Å; L525-I529 VanDerWaalsContact O-N 3.1Å; L525-Y591 HydrophobicContact CD1-CD1 4.18Å; L525-Y591 HydrophobicContact CD1-CG 4.06Å
526Q85.6Confident78.2Confident73 Ų7363.7 Ų63.734%0.34134%0.342SS..Hα-helixtrans-54.1-38.8-177.9-178.561.718.500112.4D524 C528 I529 E530D524-Q526 WeakPolarHBondContact OD1-CB 2.99Å; D524-Q526 PolarHBondContact OD1-N 2.82Å; Q526-C528 PolarHBondContact O-N 3.44Å; Q526-I529 PolarHBondContact O-N 3.45Å; Q526-E530 HydrophobicContact CG-CG 4.47Å; Q526-E530 PolarHBondContact NE2-OE1 3.31Å; Q526-E530 WeakPolarHBondContact O-CB 2.99Å; Q526-E530 WeakPolarHBondContact O-CG 3.37Å; Q526-E530 PolarHBondContact O-N 2.91Å
527A86.2Confident78.7Confident39 Ų3961.5 Ų61.532%0.32233%0.334SS..Hα-helixtrans-61.4-41.1175.100000112.8L525 I529 E530 L531 H568L525-A527 PolarHBondContact O-N 2.9Å; A527-I529 VanDerWaalsContact C-N 3.33Å; A527-I529 PolarHBondContact O-N 3.16Å; A527-E530 PolarHBondContact O-N 2.8Å; A527-L531 PolarHBondContact O-N 2.86Å; A527-H568 PolarHBondContact O-CE1 2.93Å; A527-H568 PolarHBondContact O-NE2 3.45Å; A527-H568 VanDerWaalsContact O-NE2 3.13Å
528C88.7Confident79.5Confident1 Ų154.6 Ų54.61%0.00730%0.297CS..Hα-helixtrans-66.2-36.5176.9-165.70000111.7E491 L525 Q526E491-C528 HydrophobicContact CG-CB 4.17Å; E491-C528 PolarHBondContact OE1-SG 3.29Å; E491-C528 VanDerWaalsContact OE1-SG 3.34Å; L525-C528 WeakPolarHBondContact O-CA 3.01Å; L525-C528 WeakPolarHBondContact O-CB 3Å; L525-C528 PolarHBondContact O-N 2.77Å; Q526-C528 PolarHBondContact O-N 3.44Å
529I89.3Confident80.3Confident8 Ų848.7 Ų48.74%0.04127%0.272CS..Hα-helixtrans-71-43.4177.1-68.5164.5000111.1F488 E491 K492 Q495 L525 Q526 A527 L531 I532 E533F488-I529 HydrophobicContact CE2-CG2 4.14Å; E491-I529 HydrophobicContact CB-CG1 4.34Å; E491-I529 HydrophobicContact CG-CG1 3.99Å; K492-I529 HydrophobicContact CG-CD1 4.01Å; K492-I529 HydrophobicContact CG-CG1 4.19Å; K492-I529 HydrophobicContact CG-CG2 4.14Å; Q495-I529 HydrophobicContact CB-CD1 3.44Å; Q495-I529 VanDerWaalsContact CB-CD1 3.44Å; Q495-I529 HydrophobicContact CG-CD1 3.71Å; L525-I529 PolarHBondContact O-N 2.76Å; L525-I529 VanDerWaalsContact O-N 3.1Å; Q526-I529 PolarHBondContact O-N 3.45Å; A527-I529 VanDerWaalsContact C-N 3.33Å; A527-I529 PolarHBondContact O-N 3.16Å; I529-L531 PolarHBondContact O-N 3.45Å; I529-I532 PolarHBondContact O-N 3.4Å; I529-I532 VanDerWaalsContact O-N 3.07Å; I529-E533 PolarHBondContact O-N 2.86Å
530E87.5Confident81Confident67 Ų6747.5 Ų47.531%0.31327%0.267SS..Hα-helixtrans-66-35.6177.9-78.1-171.5-150.500113.2Q526 A527 I532 K534Q526-E530 HydrophobicContact CG-CG 4.47Å; Q526-E530 PolarHBondContact NE2-OE1 3.31Å; Q526-E530 WeakPolarHBondContact O-CB 2.99Å; Q526-E530 WeakPolarHBondContact O-CG 3.37Å; Q526-E530 PolarHBondContact O-N 2.91Å; A527-E530 PolarHBondContact O-N 2.8Å; E530-I532 PolarHBondContact O-N 2.71Å; E530-I532 VanDerWaalsContact O-N 3.15Å; E530-K534 HydrophobicContact CB-CD 4.17Å; E530-K534 HydrophobicContact CG-CD 4.37Å; E530-K534 WeakPolarHBondContact O-CB 3.35Å; E530-K534 PolarHBondContact O-N 2.89Å; E530-K534 WeakPolarHBondContact OE2-CD 3.3Å; E530-K534 WeakPolarHBondContact OE2-CE 3.31Å; E530-K534 IonicContact OE2-NZ 3.28Å; E530-K534 PolarHBondContact OE2-NZ 3.49Å
531L90Very high82Confident4 Ų441.2 Ų41.22%0.02123%0.234CC..Hα-helixtrans-54.1-30.4170.5174.964.4000112.4A527 I529 G537 I538 H564 H568 N570 F571 I588A527-L531 PolarHBondContact O-N 2.86Å; I529-L531 PolarHBondContact O-N 3.45Å; L531-G537 CarbonylContact O-C 3.59Å; L531-G537 WeakPolarHBondContact O-CA 2.88Å; L531-I538 HydrophobicContact CD1-CD1 4.3Å; L531-I538 HydrophobicContact CD2-CD1 4.35Å; L531-I538 HydrophobicContact CG-CD1 3.94Å; L531-I538 HydrophobicContact CG-CG1 4.49Å; L531-I538 WeakPolarHBondContact O-CG1 2.97Å; L531-I538 PolarHBondContact O-N 2.81Å; L531-H564 HydrophobicContact CD1-CB 4.12Å; L531-H568 HydrophobicContact CD1-CB 4.25Å; L531-N570 HydrophobicContact CD2-CB 4.14Å; L531-F571 HydrophobicContact CD1-CB 4.2Å; L531-F571 HydrophobicContact CD1-CD2 4.21Å; L531-F571 HydrophobicContact CD2-CB 4.06Å; L531-F571 HydrophobicContact CD2-CD2 4.36Å; L531-I588 HydrophobicContact CD2-CG1 4.46Å; L531-I588 HydrophobicContact CD2-CG2 4.26Å
532I89.4Confident83.2Confident1 Ų139.7 Ų39.71%0.00523%0.227CC..Hα-helixtrans-95.3-44.7-175.6-61.9170.6000111.6L484 F488 I529 E530 I538 V539 I588L484-I532 HydrophobicContact CD1-CD1 4.37Å; F488-I532 HydrophobicContact CB-CD1 4.24Å; F488-I532 HydrophobicContact CB-CG2 4.44Å; F488-I532 HydrophobicContact CD1-CG2 4.16Å; F488-I532 HydrophobicContact CD2-CB 3.89Å; F488-I532 HydrophobicContact CD2-CD1 3.75Å; F488-I532 HydrophobicContact CD2-CG1 4.42Å; F488-I532 HydrophobicContact CD2-CG2 3.61Å; F488-I532 HydrophobicContact CE1-CG2 4.3Å; F488-I532 HydrophobicContact CE2-CB 3.89Å; F488-I532 HydrophobicContact CE2-CG2 3.76Å; F488-I532 HydrophobicContact CG-CD1 4.31Å; F488-I532 HydrophobicContact CG-CG2 3.82Å; F488-I532 HydrophobicContact CZ-CG2 4.12Å; I529-I532 PolarHBondContact O-N 3.4Å; I529-I532 VanDerWaalsContact O-N 3.07Å; E530-I532 PolarHBondContact O-N 2.71Å; E530-I532 VanDerWaalsContact O-N 3.15Å; I532-I538 HydrophobicContact CG1-CD1 4.39Å; I532-I538 PolarHBondContact O-N 3.18Å; I532-V539 HydrophobicContact CG2-CG2 3.71Å; I532-V539 WeakPolarHBondContact O-CB 3.12Å; I532-V539 WeakPolarHBondContact O-CG2 2.95Å; I532-V539 PolarHBondContact O-N 3.44Å; I532-I588 HydrophobicContact CD1-CD1 4.29Å; I532-I588 HydrophobicContact CG1-CD1 4.39Å
533E85.7Confident84.3Confident43 Ų4337.2 Ų37.220%0.20120%0.199CC..Hα-helixtrans-98.3-25.3-167-175.2165.5-140.700116.5F488 K492 I529 N669F488-E533 HydrophobicContact CE2-CB 4.4Å; F488-E533 HydrophobicContact CZ-CB 3.95Å; K492-E533 WeakPolarHBondContact CE-OE2 3.42Å; K492-E533 IonicContact NZ-OE1 2.76Å; K492-E533 PolarHBondContact NZ-OE1 3.48Å; K492-E533 IonicContact NZ-OE2 3.92Å; K492-E533 PolarHBondContact NZ-OE2 3.31Å; I529-E533 PolarHBondContact O-N 2.86Å; E533-N669 PolarHBondContact OE1-ND2 3.4Å; E533-N669 PolarHBondContact OE1-OD1 2.97Å
534K80.3Confident85.2Confident112 Ų11238.6 Ų38.649%0.48720%0.204SC..SBendtrans-60.9159.5-171.2-160.7161.1-171.21680111.1E530 L536 G537 S540E530-K534 HydrophobicContact CB-CD 4.17Å; E530-K534 HydrophobicContact CG-CD 4.37Å; E530-K534 WeakPolarHBondContact O-CB 3.35Å; E530-K534 PolarHBondContact O-N 2.89Å; E530-K534 WeakPolarHBondContact OE2-CD 3.3Å; E530-K534 WeakPolarHBondContact OE2-CE 3.31Å; E530-K534 IonicContact OE2-NZ 3.28Å; E530-K534 PolarHBondContact OE2-NZ 3.49Å; K534-L536 PolarHBondContact O-N 2.82Å; K534-G537 WeakPolarHBondContact O-CA 3.03Å; K534-G537 PolarHBondContact O-N 3.39Å; K534-S540 WeakPolarHBondContact O-CB 3.34Å; K534-S540 PolarHBondContact O-OG 2.83Å
535P70.8Confident85.6Confident101 Ų10133.7 Ų33.766%0.65618%0.178SC*.THydrogen-bonded Turntrans-57.3-18.1-179.6-30.938.3000116S540P535-S540 WeakPolarHBondContact O-CB 3.42Å
536L79.4Confident85.4Confident112 Ų11232.9 Ų32.959%0.58617%0.174SC*.THydrogen-bonded Turntrans-119.133.7169.8-62175000111.7K534 H564K534-L536 PolarHBondContact O-N 2.82Å; L536-H564 PolarHBondContact O-CE1 2.87Å
537G85.9Confident84.8Confident1 Ų134.3 Ų34.31%0.0118%0.183CC..SBendtrans-103.3170.6175.400000112.3L531 K534 V539 S540 V541L531-G537 CarbonylContact O-C 3.59Å; L531-G537 WeakPolarHBondContact O-CA 2.88Å; K534-G537 WeakPolarHBondContact O-CA 3.03Å; K534-G537 PolarHBondContact O-N 3.39Å; G537-V539 PolarHBondContact O-N 2.57Å; G537-S540 PolarHBondContact O-N 2.78Å; G537-V541 WeakPolarHBondContact O-CG2 3.3Å; G537-V541 PolarHBondContact O-N 3.38Å
538I90.6Very high84.5Confident1 Ų135.4 Ų35.41%0.00519%0.185CC..Hα-helixtrans-52.2-37.9-168.1-65.3169000113.5L484 L531 I532 L542 F556 L560 F571 F586 I588L484-I538 HydrophobicContact CD2-CG2 4.04Å; L531-I538 HydrophobicContact CD1-CD1 4.3Å; L531-I538 HydrophobicContact CD2-CD1 4.35Å; L531-I538 HydrophobicContact CG-CD1 3.94Å; L531-I538 HydrophobicContact CG-CG1 4.49Å; L531-I538 WeakPolarHBondContact O-CG1 2.97Å; L531-I538 PolarHBondContact O-N 2.81Å; I532-I538 HydrophobicContact CG1-CD1 4.39Å; I532-I538 PolarHBondContact O-N 3.18Å; I538-L542 WeakPolarHBondContact O-CB 3.02Å; I538-L542 PolarHBondContact O-N 2.66Å; I538-F556 HydrophobicContact CG2-CZ 4.13Å; I538-L560 HydrophobicContact CB-CD2 4.31Å; I538-L560 HydrophobicContact CG1-CD1 4.29Å; I538-L560 HydrophobicContact CG1-CD2 3.94Å; I538-L560 HydrophobicContact CG2-CD1 4.16Å; I538-L560 HydrophobicContact CG2-CD2 4.43Å; I538-F571 HydrophobicContact CD1-CD2 4.36Å; I538-F571 HydrophobicContact CD1-CE2 4.4Å; I538-F586 HydrophobicContact CD1-CE2 4.05Å; I538-F586 HydrophobicContact CG2-CZ 4.3Å; I538-I588 HydrophobicContact CD1-CD1 3.7Å; I538-I588 HydrophobicContact CD1-CG1 4.19Å
539V87.6Confident83.6Confident5 Ų541.7 Ų41.73%0.0323%0.226CC..Hα-helixtrans-71.8-45.6178.3176.10000111.8W485 I532 G537 V541 L542 D543W485-V539 HydrophobicContact CH2-CG2 4.47Å; W485-V539 HydrophobicContact CZ2-CG1 4.13Å; W485-V539 HydrophobicContact CZ2-CG2 4.01Å; I532-V539 HydrophobicContact CG2-CG2 3.71Å; I532-V539 WeakPolarHBondContact O-CB 3.12Å; I532-V539 WeakPolarHBondContact O-CG2 2.95Å; I532-V539 PolarHBondContact O-N 3.44Å; G537-V539 PolarHBondContact O-N 2.57Å; V539-V541 VanDerWaalsContact C-N 3.34Å; V539-V541 PolarHBondContact O-N 3.37Å; V539-L542 WeakPolarHBondContact O-CB 3Å; V539-L542 PolarHBondContact O-N 2.86Å; V539-L542 VanDerWaalsContact O-N 3.12Å; V539-D543 PolarHBondContact O-N 3.45Å
540S85.4Confident83.1Confident14 Ų1452.6 Ų52.610%0.09827%0.267CS..Hα-helixtrans-64.7-38.8-179.7-54.70000111.6K534 P535 G537 L542 D543 E544K534-S540 WeakPolarHBondContact O-CB 3.34Å; K534-S540 PolarHBondContact O-OG 2.83Å; P535-S540 WeakPolarHBondContact O-CB 3.42Å; G537-S540 PolarHBondContact O-N 2.78Å; S540-L542 VanDerWaalsContact C-N 3.3Å; S540-L542 PolarHBondContact O-N 3.25Å; S540-D543 PolarHBondContact O-N 2.95Å; S540-E544 PolarHBondContact O-N 3.16Å
541V87.7Confident82.9Confident1 Ų150.5 Ų50.51%0.00626%0.261CS..Hα-helixtrans-65.6-32.8174.4-178.50000111.8G537 V539 E545 F556 K559 L560G537-V541 WeakPolarHBondContact O-CG2 3.3Å; G537-V541 PolarHBondContact O-N 3.38Å; V539-V541 VanDerWaalsContact C-N 3.34Å; V539-V541 PolarHBondContact O-N 3.37Å; V541-E545 WeakPolarHBondContact O-CB 3.24Å; V541-E545 WeakPolarHBondContact O-CG 3.49Å; V541-E545 PolarHBondContact O-N 3.27Å; V541-E545 VanDerWaalsContact O-N 3.08Å; V541-F556 HydrophobicContact CB-CE2 4.34Å; V541-F556 HydrophobicContact CG1-CD2 4.07Å; V541-F556 HydrophobicContact CG1-CE2 4.18Å; V541-K559 HydrophobicContact CG1-CB 3.96Å; V541-K559 HydrophobicContact CG1-CD 4.14Å; V541-L560 HydrophobicContact CB-CD2 4.04Å; V541-L560 HydrophobicContact CG1-CD2 4Å; V541-L560 HydrophobicContact CG2-CD2 4.35Å
542L88.8Confident82.7Confident3 Ų352.6 Ų52.62%0.01628%0.276CS..Hα-helixtrans-70-41.3174.9-172.970.8000111.3F481 I538 V539 S540 E545 C546 F556 W602 L603 N606F481-L542 HydrophobicContact CD2-CD2 3.94Å; F481-L542 HydrophobicContact CE2-CD2 3.34Å; F481-L542 HydrophobicContact CZ-CD2 3.96Å; I538-L542 WeakPolarHBondContact O-CB 3.02Å; I538-L542 PolarHBondContact O-N 2.66Å; V539-L542 WeakPolarHBondContact O-CB 3Å; V539-L542 PolarHBondContact O-N 2.86Å; V539-L542 VanDerWaalsContact O-N 3.12Å; S540-L542 VanDerWaalsContact C-N 3.3Å; S540-L542 PolarHBondContact O-N 3.25Å; L542-E545 PolarHBondContact O-N 2.77Å; L542-C546 WeakPolarHBondContact O-CB 2.93Å; L542-C546 PolarHBondContact O-N 3.07Å; L542-C546 PolarHBondContact O-SG 3.03Å; L542-F556 HydrophobicContact CB-CD2 4.29Å; L542-F556 HydrophobicContact CB-CE2 3.6Å; L542-F556 HydrophobicContact CB-CZ 3.98Å; L542-F556 HydrophobicContact CD1-CD1 4.14Å; L542-F556 HydrophobicContact CD1-CD2 3.93Å; L542-F556 HydrophobicContact CD1-CE1 3.94Å; L542-F556 HydrophobicContact CD1-CE2 3.75Å; L542-F556 HydrophobicContact CD1-CG 4.13Å; L542-F556 HydrophobicContact CD1-CZ 3.73Å; L542-F556 HydrophobicContact CG-CE2 4.28Å; L542-F556 HydrophobicContact CG-CZ 4.38Å; L542-W602 HydrophobicContact CD1-CB 4.03Å; L542-W602 HydrophobicContact CD1-CE3 4.44Å; L542-W602 HydrophobicContact CD2-CE3 4.38Å; L542-L603 HydrophobicContact CD1-CD2 3.72Å; L542-N606 HydrophobicContact CD2-CB 4.1Å; L542-N606 HydrophobicContact CG-CB 4.44Å
543D84.1Confident82.6Confident9 Ų954.1 Ų54.15%0.04828%0.284CS..Hα-helixtrans-64.5-42.3176.2-74.8-29000111.8V539 S540 C546 I547 N606 T659 S661 M662V539-D543 PolarHBondContact O-N 3.45Å; S540-D543 PolarHBondContact O-N 2.95Å; D543-C546 PolarHBondContact O-N 3.25Å; D543-I547 WeakPolarHBondContact O-CG1 3.31Å; D543-I547 PolarHBondContact O-N 2.65Å; D543-N606 PolarHBondContact OD1-ND2 2.69Å; D543-N606 VanDerWaalsContact OD1-ND2 3.09Å; D543-T659 VanDerWaalsContact OD1-CB 3.27Å; D543-T659 WeakPolarHBondContact OD1-CB 3.01Å; D543-T659 WeakPolarHBondContact OD1-CG2 3.1Å; D543-T659 PolarHBondContact OD1-OG1 3.31Å; D543-S661 PolarHBondContact OD1-OG 2.78Å; D543-M662 HydrophobicContact CB-CE 4.06Å
544E84.3Confident82.6Confident85 Ų8557.6 Ų57.640%0.39730%0.3SS..Hα-helixtrans-58.4-52.2171.9-75.4-176.2-178.600112.1S540 C546 I547 V548S540-E544 PolarHBondContact O-N 3.16Å; E544-C546 PolarHBondContact O-N 3.28Å; E544-I547 PolarHBondContact O-N 2.64Å; E544-I547 VanDerWaalsContact O-N 3.09Å; E544-V548 WeakPolarHBondContact O-CG2 2.93Å; E544-V548 PolarHBondContact O-N 2.95Å
545E85.9Confident83Confident7 Ų754.6 Ų54.63%0.03329%0.291CS..Hα-helixtrans-63.8-28.5179.7-74-71.892.600112.3V541 L542 I547 V548 A551 T555 F556 K559 L603V541-E545 WeakPolarHBondContact O-CB 3.24Å; V541-E545 WeakPolarHBondContact O-CG 3.49Å; V541-E545 PolarHBondContact O-N 3.27Å; V541-E545 VanDerWaalsContact O-N 3.08Å; L542-E545 PolarHBondContact O-N 2.77Å; E545-I547 PolarHBondContact O-N 2.73Å; E545-V548 PolarHBondContact O-N 2.61Å; E545-A551 HydrophobicContact CB-CB 3.96Å; E545-A551 HydrophobicContact CG-CB 4.39Å; E545-A551 WeakPolarHBondContact O-CB 3.49Å; E545-A551 WeakPolarHBondContact OE2-CB 2.93Å; E545-T555 VanDerWaalsContact OE2-CB 3.29Å; E545-T555 WeakPolarHBondContact OE2-CB 3.04Å; E545-T555 PolarHBondContact OE2-OG1 3.46Å; E545-F556 HydrophobicContact CG-CB 4.17Å; E545-F556 HydrophobicContact CG-CD2 4.34Å; E545-F556 PolarHBondContact OE2-N 2.98Å; E545-K559 HydrophobicContact CG-CD 3.95Å; E545-K559 WeakPolarHBondContact OE1-CE 3.35Å; E545-K559 IonicContact OE1-NZ 3.12Å; E545-K559 PolarHBondContact OE1-NZ 2.72Å; E545-L603 HydrophobicContact CB-CD1 4.49Å; E545-L603 HydrophobicContact CB-CD2 3.57Å
546C80.6Confident83.9Confident4 Ų449.8 Ų49.83%0.02726%0.26CS..Hα-helixtrans-65.1-26174.7-74.40000113.4L542 D543 E544 N606 K607 T659L542-C546 WeakPolarHBondContact O-CB 2.93Å; L542-C546 PolarHBondContact O-N 3.07Å; L542-C546 PolarHBondContact O-SG 3.03Å; D543-C546 PolarHBondContact O-N 3.25Å; E544-C546 PolarHBondContact O-N 3.28Å; C546-N606 PolarHBondContact SG-ND2 3.16Å; C546-N606 VanDerWaalsContact SG-ND2 3.35Å; C546-K607 HydrophobicContact CB-CG 4.3Å; C546-K607 VanDerWaalsContact O-CE 3.29Å; C546-K607 WeakPolarHBondContact O-CE 3.29Å; C546-T659 HydrophobicContact CB-CG2 4.31Å
547I73.7Confident84.4Confident102 Ų10245 Ų4552%0.52324%0.236SC..Hα-helixtrans-87.3-25.3178.5-61165.3000111.2D543 E544 E545 P549D543-I547 WeakPolarHBondContact O-CG1 3.31Å; D543-I547 PolarHBondContact O-N 2.65Å; E544-I547 PolarHBondContact O-N 2.64Å; E544-I547 VanDerWaalsContact O-N 3.09Å; E545-I547 PolarHBondContact O-N 2.73Å; I547-P549 VanDerWaalsContact O-CD 3.28Å; I547-P549 WeakPolarHBondContact O-CD 3.49Å
548V78.2Confident84.4Confident62 Ų6250.8 Ų50.838%0.37626%0.262SS..SBendtrans-73.5115.5-177.8172.80000111.3E544 E545 R550 A551E544-V548 WeakPolarHBondContact O-CG2 2.93Å; E544-V548 PolarHBondContact O-N 2.95Å; E545-V548 PolarHBondContact O-N 2.61Å; V548-R550 PolarHBondContact O-N 2.65Å; V548-A551 HydrophobicContact CB-CB 3.97Å; V548-A551 HydrophobicContact CG1-CB 4.05Å; V548-A551 PolarHBondContact O-N 3.27Å; V548-A551 VanDerWaalsContact O-N 3.11Å
549P70.9Confident84.3Confident134 Ų13453.9 Ų53.987%0.8728%0.276SS*.THydrogen-bonded Turntrans-67.1-1.9-170.9-24.235.5000117.2I547I547-P549 VanDerWaalsContact O-CD 3.28Å; I547-P549 WeakPolarHBondContact O-CD 3.49Å
550R79Confident84.4Confident237 Ų23753.6 Ų53.689%0.89427%0.274SS*.THydrogen-bonded Turntrans-129.710.3178.5-66.7-172.9178.7-179.70.9113.3V548V548-R550 PolarHBondContact O-N 2.65Å
551A83.5Confident84.6Confident22 Ų2253.9 Ų53.918%0.18227%0.274CS..  trans-68.5152.5174.600000111.4E545 V548 T555 L603E545-A551 HydrophobicContact CB-CB 3.96Å; E545-A551 HydrophobicContact CG-CB 4.39Å; E545-A551 WeakPolarHBondContact O-CB 3.49Å; E545-A551 WeakPolarHBondContact OE2-CB 2.93Å; V548-A551 HydrophobicContact CB-CB 3.97Å; V548-A551 HydrophobicContact CG1-CB 4.05Å; V548-A551 PolarHBondContact O-N 3.27Å; V548-A551 VanDerWaalsContact O-N 3.11Å; A551-T555 WeakPolarHBondContact CA-OG1 3.35Å; A551-L603 HydrophobicContact CB-CD1 3.78Å
552S85.2Confident84.6Confident49 Ų4958.7 Ų58.734%0.34330%0.3SS..  trans-139.6165.2172.763.10000109Q554 T555 F556 L603S552-Q554 PolarHBondContact O-N 2.97Å; S552-T555 PolarHBondContact N-OG1 2.71Å; S552-T555 PolarHBondContact O-N 2.67Å; S552-T555 PolarHBondContact O-OG1 2.67Å; S552-T555 PolarHBondContact OG-N 2.66Å; S552-F556 PolarHBondContact O-N 2.66Å; S552-L603 VanDerWaalsContact C-CD1 3.41Å
553D87.5Confident84.4Confident33 Ų3361.2 Ų61.218%0.17631%0.312CS..Hα-helixtrans-60.6-21.9178.9-48.1-61.4000112.5V557 A584 A599 G601 W602 L603D553-V557 WeakPolarHBondContact O-CG2 3.45Å; D553-V557 PolarHBondContact O-N 2.73Å; D553-A584 HydrophobicContact CB-CB 4.27Å; D553-A584 WeakPolarHBondContact O-CB 3.11Å; D553-A599 HydrophobicContact CB-CB 4.38Å; D553-A599 VanDerWaalsContact CB-O 3.25Å; D553-A599 WeakPolarHBondContact CB-O 3.35Å; D553-G601 VanDerWaalsContact CG-N 3.29Å; D553-G601 WeakPolarHBondContact OD2-CA 3.34Å; D553-G601 PolarHBondContact OD2-N 2.6Å; D553-W602 PolarHBondContact OD1-N 2.95Å; D553-L603 PolarHBondContact OD1-N 2.64Å
554Q85Confident84.7Confident116 Ų11661.6 Ų61.654%0.54231%0.313SS..Hα-helixtrans-72.7-40171.1-69.8-175.2-1100113.1S552 Q558 S582 A584S552-Q554 PolarHBondContact O-N 2.97Å; Q554-Q558 WeakPolarHBondContact O-CB 3.33Å; Q554-Q558 PolarHBondContact O-N 3.22Å; Q554-S582 PolarHBondContact NE2-O 3.25Å; Q554-A584 HydrophobicContact CG-CB 4.27Å
555T88.4Confident84.8Confident49 Ų4961 Ų6130%0.30131%0.312SS..Hα-helixtrans-70.5-36.5175.858.90000111.2E545 A551 S552 Q558 K559E545-T555 VanDerWaalsContact OE2-CB 3.29Å; E545-T555 WeakPolarHBondContact OE2-CB 3.04Å; E545-T555 PolarHBondContact OE2-OG1 3.46Å; A551-T555 WeakPolarHBondContact CA-OG1 3.35Å; S552-T555 PolarHBondContact N-OG1 2.71Å; S552-T555 PolarHBondContact O-N 2.67Å; S552-T555 PolarHBondContact O-OG1 2.67Å; S552-T555 PolarHBondContact OG-N 2.66Å; T555-Q558 PolarHBondContact O-N 3.5Å; T555-K559 PolarHBondContact O-N 2.72Å
556F90.4Very high84.5Confident0 Ų064.4 Ų64.40%035%0.349CS..Hα-helixtrans-57.8-54.9170.3169.7-113.1000111.6I538 V541 L542 E545 S552 Q558 K559 L560 F586 A599 W602I538-F556 HydrophobicContact CG2-CZ 4.13Å; V541-F556 HydrophobicContact CB-CE2 4.34Å; V541-F556 HydrophobicContact CG1-CD2 4.07Å; V541-F556 HydrophobicContact CG1-CE2 4.18Å; L542-F556 HydrophobicContact CB-CD2 4.29Å; L542-F556 HydrophobicContact CB-CE2 3.6Å; L542-F556 HydrophobicContact CB-CZ 3.98Å; L542-F556 HydrophobicContact CD1-CD1 4.14Å; L542-F556 HydrophobicContact CD1-CD2 3.93Å; L542-F556 HydrophobicContact CD1-CE1 3.94Å; L542-F556 HydrophobicContact CD1-CE2 3.75Å; L542-F556 HydrophobicContact CD1-CG 4.13Å; L542-F556 HydrophobicContact CD1-CZ 3.73Å; L542-F556 HydrophobicContact CG-CE2 4.28Å; L542-F556 HydrophobicContact CG-CZ 4.38Å; E545-F556 HydrophobicContact CG-CB 4.17Å; E545-F556 HydrophobicContact CG-CD2 4.34Å; E545-F556 PolarHBondContact OE2-N 2.98Å; S552-F556 PolarHBondContact O-N 2.66Å; F556-Q558 VanDerWaalsContact C-N 3.29Å; F556-Q558 PolarHBondContact O-N 3.45Å; F556-K559 WeakPolarHBondContact O-CB 3.04Å; F556-K559 PolarHBondContact O-N 2.98Å; F556-L560 HydrophobicContact CD1-CD1 4.5Å; F556-L560 HydrophobicContact CD2-CG 4.42Å; F556-L560 HydrophobicContact CE1-CD1 3.85Å; F556-L560 HydrophobicContact CE2-CD1 4.08Å; F556-L560 HydrophobicContact CE2-CD2 4Å; F556-L560 HydrophobicContact CE2-CG 4.03Å; F556-L560 HydrophobicContact CZ-CD1 3.62Å; F556-L560 HydrophobicContact CZ-CD2 4.3Å; F556-L560 HydrophobicContact CZ-CG 4.1Å; F556-L560 WeakPolarHBondContact O-CG 3.42Å; F556-L560 PolarHBondContact O-N 2.7Å; F556-F586 HydrophobicContact CE1-CE1 4.41Å; F556-A599 HydrophobicContact CD1-CB 4.15Å; F556-A599 HydrophobicContact CE1-CB 4.27Å; F556-W602 AromaticContact CE1-CE3 3.66Å; F556-W602 HydrophobicContact CE1-CE3 3.66Å; F556-W602 HydrophobicContact CE1-CZ3 4.06Å; F556-W602 HydrophobicContact CZ-CE3 4.09Å; F556-W602 HydrophobicContact CZ-CZ3 4.29Å
557V88.9Confident84.7Confident12 Ų1271.3 Ų71.37%0.07338%0.379CS..Hα-helixtrans-65.4-31.6178.31700000112.2D553 L560 N561 A584 F586 A599D553-V557 WeakPolarHBondContact O-CG2 3.45Å; D553-V557 PolarHBondContact O-N 2.73Å; V557-L560 PolarHBondContact O-N 2.77Å; V557-N561 PolarHBondContact O-N 3.2Å; V557-N561 VanDerWaalsContact O-N 3.08Å; V557-N561 PolarHBondContact O-ND2 2.82Å; V557-A584 HydrophobicContact CB-CB 4.16Å; V557-A584 HydrophobicContact CG2-CB 3.85Å; V557-F586 HydrophobicContact CG2-CD1 4.01Å; V557-A599 HydrophobicContact CG2-CB 3.4Å
558Q87.1Confident85.3Confident122 Ų12268.4 Ų68.457%0.5736%0.363SS*.Hα-helixtrans-62-52.1171.2-177.5173.7-1500111.2Q554 T555 F556 L560 N561 D562Q554-Q558 WeakPolarHBondContact O-CB 3.33Å; Q554-Q558 PolarHBondContact O-N 3.22Å; T555-Q558 PolarHBondContact O-N 3.5Å; F556-Q558 VanDerWaalsContact C-N 3.29Å; F556-Q558 PolarHBondContact O-N 3.45Å; Q558-L560 VanDerWaalsContact C-N 3.3Å; Q558-L560 PolarHBondContact O-N 3.44Å; Q558-N561 PolarHBondContact O-N 2.82Å; Q558-D562 WeakPolarHBondContact CG-OD2 3.37Å; Q558-D562 PolarHBondContact O-N 2.99Å
559K88.9Confident85.6Confident65 Ų6570.4 Ų70.428%0.28338%0.378SS..Hα-helixtrans-53.5-44174.5-81.5-175.6169.1-1770112.3V541 E545 T555 F556 N561 D562 Q563V541-K559 HydrophobicContact CG1-CB 3.96Å; V541-K559 HydrophobicContact CG1-CD 4.14Å; E545-K559 HydrophobicContact CG-CD 3.95Å; E545-K559 WeakPolarHBondContact OE1-CE 3.35Å; E545-K559 IonicContact OE1-NZ 3.12Å; E545-K559 PolarHBondContact OE1-NZ 2.72Å; T555-K559 PolarHBondContact O-N 2.72Å; F556-K559 WeakPolarHBondContact O-CB 3.04Å; F556-K559 PolarHBondContact O-N 2.98Å; K559-N561 VanDerWaalsContact C-N 3.34Å; K559-N561 PolarHBondContact O-N 3.15Å; K559-D562 PolarHBondContact O-N 2.67Å; K559-Q563 WeakPolarHBondContact O-CB 3.03Å; K559-Q563 WeakPolarHBondContact O-CG 2.93Å; K559-Q563 PolarHBondContact O-N 3.03Å
560L89.9Confident86.5Confident0 Ų065.5 Ų65.50%034%0.344CS..Hα-helixtrans-61.1-39.9176.7-66.5-171.1000112.7I538 V541 F556 V557 Q558 H564 F571 F586I538-L560 HydrophobicContact CB-CD2 4.31Å; I538-L560 HydrophobicContact CG1-CD1 4.29Å; I538-L560 HydrophobicContact CG1-CD2 3.94Å; I538-L560 HydrophobicContact CG2-CD1 4.16Å; I538-L560 HydrophobicContact CG2-CD2 4.43Å; V541-L560 HydrophobicContact CB-CD2 4.04Å; V541-L560 HydrophobicContact CG1-CD2 4Å; V541-L560 HydrophobicContact CG2-CD2 4.35Å; F556-L560 HydrophobicContact CD1-CD1 4.5Å; F556-L560 HydrophobicContact CD2-CG 4.42Å; F556-L560 HydrophobicContact CE1-CD1 3.85Å; F556-L560 HydrophobicContact CE2-CD1 4.08Å; F556-L560 HydrophobicContact CE2-CD2 4Å; F556-L560 HydrophobicContact CE2-CG 4.03Å; F556-L560 HydrophobicContact CZ-CD1 3.62Å; F556-L560 HydrophobicContact CZ-CD2 4.3Å; F556-L560 HydrophobicContact CZ-CG 4.1Å; F556-L560 WeakPolarHBondContact O-CG 3.42Å; F556-L560 PolarHBondContact O-N 2.7Å; V557-L560 PolarHBondContact O-N 2.77Å; Q558-L560 VanDerWaalsContact C-N 3.3Å; Q558-L560 PolarHBondContact O-N 3.44Å; L560-H564 WeakPolarHBondContact O-CB 3.47Å; L560-H564 PolarHBondContact O-CD2 2.8Å; L560-H564 PolarHBondContact O-N 2.67Å; L560-F571 HydrophobicContact CB-CE2 4.15Å; L560-F571 HydrophobicContact CB-CZ 3.87Å; L560-F571 HydrophobicContact CD1-CE2 4.47Å; L560-F586 HydrophobicContact CD1-CD1 4.06Å; L560-F586 HydrophobicContact CD1-CD2 4.47Å; L560-F586 HydrophobicContact CD1-CE1 3.94Å; L560-F586 HydrophobicContact CD1-CE2 4.37Å; L560-F586 HydrophobicContact CD1-CG 4.32Å; L560-F586 HydrophobicContact CD1-CZ 4.09Å
561N88.3Confident87Confident19 Ų1954.6 Ų54.610%0.10230%0.303CS..Hα-helixtrans-66.6-47.7175.3-78.5-93.2000110.7V557 Q558 K559 Q563 L565V557-N561 PolarHBondContact O-N 3.2Å; V557-N561 VanDerWaalsContact O-N 3.08Å; V557-N561 PolarHBondContact O-ND2 2.82Å; Q558-N561 PolarHBondContact O-N 2.82Å; K559-N561 VanDerWaalsContact C-N 3.34Å; K559-N561 PolarHBondContact O-N 3.15Å; N561-Q563 VanDerWaalsContact C-N 3.28Å; N561-Q563 PolarHBondContact O-N 2.58Å; N561-L565 HydrophobicContact CB-CB 4.42Å; N561-L565 WeakPolarHBondContact O-CB 3.3Å; N561-L565 PolarHBondContact O-N 3.43Å
562D87.6Confident87.2Confident103 Ų10357.7 Ų57.755%0.55131%0.314SS*.Hα-helixtrans-64.9-32.2-178.3-63.1-21.9000112.3Q558 K559 K567Q558-D562 WeakPolarHBondContact CG-OD2 3.37Å; Q558-D562 PolarHBondContact O-N 2.99Å; K559-D562 PolarHBondContact O-N 2.67Å; D562-K567 PolarHBondContact O-NZ 2.9Å
563Q86Confident87.1Confident55 Ų5562 Ų6226%0.25733%0.326SS..Hα-helixtrans-79.5-49175.8-70.8-172.58.300113.2K559 N561 K567K559-Q563 WeakPolarHBondContact O-CB 3.03Å; K559-Q563 WeakPolarHBondContact O-CG 2.93Å; K559-Q563 PolarHBondContact O-N 3.03Å; N561-Q563 VanDerWaalsContact C-N 3.28Å; N561-Q563 PolarHBondContact O-N 2.58Å; Q563-K567 WeakPolarHBondContact O-CD 3.14Å; Q563-K567 WeakPolarHBondContact O-CE 3.48Å; Q563-K567 PolarHBondContact O-NZ 2.7Å
564H88.8Confident86.4Confident17 Ų1761.1 Ų61.18%0.07932%0.324CS..Hα-helixtrans-108.4-25.3-167-56-59.3000116.3L531 L536 L560 G566 K567 H568 F571L531-H564 HydrophobicContact CD1-CB 4.12Å; L536-H564 PolarHBondContact O-CE1 2.87Å; L560-H564 WeakPolarHBondContact O-CB 3.47Å; L560-H564 PolarHBondContact O-CD2 2.8Å; L560-H564 PolarHBondContact O-N 2.67Å; H564-G566 PolarHBondContact O-N 2.65Å; H564-K567 PolarHBondContact O-N 2.99Å; H564-H568 HydrophobicContact CB-CB 4.42Å; H564-H568 PolarHBondContact O-N 3.23Å; H564-F571 HydrophobicContact CB-CB 3.91Å; H564-F571 HydrophobicContact CB-CD1 3.74Å; H564-F571 HydrophobicContact CB-CD2 3.96Å; H564-F571 HydrophobicContact CB-CE1 4.23Å; H564-F571 HydrophobicContact CB-CE2 4.42Å; H564-F571 HydrophobicContact CB-CG 3.58Å
565L86.9Confident85.5Confident72 Ų7266 Ų6638%0.37734%0.337SS..THydrogen-bonded Turntrans-64.8124.1-170.1-172.465.6000111.3N561 K567 F571 K573N561-L565 HydrophobicContact CB-CB 4.42Å; N561-L565 WeakPolarHBondContact O-CB 3.3Å; N561-L565 PolarHBondContact O-N 3.43Å; L565-K567 PolarHBondContact O-N 2.69Å; L565-F571 HydrophobicContact CB-CD1 4.35Å; L565-F571 HydrophobicContact CB-CE1 4.3Å; L565-F571 HydrophobicContact CD1-CD1 4.28Å; L565-F571 HydrophobicContact CD1-CE1 4.42Å; L565-K573 HydrophobicContact CD1-CB 3.84Å; L565-K573 HydrophobicContact CD2-CB 4.2Å; L565-K573 HydrophobicContact CD2-CD 4.15Å
566G80.2Confident84.1Confident79 Ų7968.3 Ų68.381%0.81436%0.355SS*.THydrogen-bonded Turntrans74.3-5.3-17700000115.1H564H564-G566 PolarHBondContact O-N 2.65Å
567K85Confident82.4Confident149 Ų14972.9 Ų72.965%0.64839%0.385SS*.THydrogen-bonded Turntrans-101.5-34.1174.8-53.3-174.9-150.3140.60112.5D562 Q563 H564 L565D562-K567 PolarHBondContact O-NZ 2.9Å; Q563-K567 WeakPolarHBondContact O-CD 3.14Å; Q563-K567 WeakPolarHBondContact O-CE 3.48Å; Q563-K567 PolarHBondContact O-NZ 2.7Å; H564-K567 PolarHBondContact O-N 2.99Å; L565-K567 PolarHBondContact O-N 2.69Å
568H85.1Confident80.5Confident42 Ų4282.8 Ų82.819%0.19443%0.427CS..SBendtrans-110.1126.6-179.1-162.3-85.4000111.9A527 L531 H564 N570 F571A527-H568 PolarHBondContact O-CE1 2.93Å; A527-H568 PolarHBondContact O-NE2 3.45Å; A527-H568 VanDerWaalsContact O-NE2 3.13Å; L531-H568 HydrophobicContact CD1-CB 4.25Å; H564-H568 HydrophobicContact CB-CB 4.42Å; H564-H568 PolarHBondContact O-N 3.23Å; H568-N570 VanDerWaalsContact C-N 3.33Å; H568-N570 PolarHBondContact CE1-OD1 3.24Å; H568-N570 PolarHBondContact ND1-N 2.65Å; H568-N570 PolarHBondContact O-N 3.11Å; H568-F571 HydrophobicContact CB-CB 4.19Å; H568-F571 PolarHBondContact O-N 3.05Å
569P85Confident78.7Confident104 Ų10479.6 Ų79.668%0.67543%0.427SS*.THydrogen-bonded Turntrans-62.7-35.7-17422.8-32.5000113.5F571P569-F571 VanDerWaalsContact C-N 3.34Å; P569-F571 PolarHBondContact O-N 2.92Å
570N88.9Confident76.7Confident31 Ų3183.7 Ų83.717%0.16646%0.458CS..THydrogen-bonded Turntrans-80.2-6.1-179.8-55.867.9000114.4L531 H568 I588 V589L531-N570 HydrophobicContact CD2-CB 4.14Å; H568-N570 VanDerWaalsContact C-N 3.33Å; H568-N570 PolarHBondContact CE1-OD1 3.24Å; H568-N570 PolarHBondContact ND1-N 2.65Å; H568-N570 PolarHBondContact O-N 3.11Å; N570-I588 CarbonylContact O-C 3.53Å; N570-I588 WeakPolarHBondContact O-CA 3.04Å; N570-V589 HydrophobicContact CB-CB 4.33Å; N570-V589 PolarHBondContact ND2-O 2.9Å; N570-V589 PolarHBondContact O-N 3Å
571F91.3Very high74.7Confident7 Ų791.2 Ų91.23%0.03149%0.493CS..EExtended strand (participates in β ladder)trans-100.8125.1-176.5-171.9-88.5000111.9L531 I538 L560 H564 L565 H568 P569 F586L531-F571 HydrophobicContact CD1-CB 4.2Å; L531-F571 HydrophobicContact CD1-CD2 4.21Å; L531-F571 HydrophobicContact CD2-CB 4.06Å; L531-F571 HydrophobicContact CD2-CD2 4.36Å; I538-F571 HydrophobicContact CD1-CD2 4.36Å; I538-F571 HydrophobicContact CD1-CE2 4.4Å; L560-F571 HydrophobicContact CB-CE2 4.15Å; L560-F571 HydrophobicContact CB-CZ 3.87Å; L560-F571 HydrophobicContact CD1-CE2 4.47Å; H564-F571 HydrophobicContact CB-CB 3.91Å; H564-F571 HydrophobicContact CB-CD1 3.74Å; H564-F571 HydrophobicContact CB-CD2 3.96Å; H564-F571 HydrophobicContact CB-CE1 4.23Å; H564-F571 HydrophobicContact CB-CE2 4.42Å; H564-F571 HydrophobicContact CB-CG 3.58Å; L565-F571 HydrophobicContact CB-CD1 4.35Å; L565-F571 HydrophobicContact CB-CE1 4.3Å; L565-F571 HydrophobicContact CD1-CD1 4.28Å; L565-F571 HydrophobicContact CD1-CE1 4.42Å; H568-F571 HydrophobicContact CB-CB 4.19Å; H568-F571 PolarHBondContact O-N 3.05Å; P569-F571 VanDerWaalsContact C-N 3.34Å; P569-F571 PolarHBondContact O-N 2.92Å; F571-F586 HydrophobicContact CE2-CB 4.26Å; F571-F586 AromaticContact CE2-CD2 3.82Å; F571-F586 HydrophobicContact CE2-CD2 3.82Å; F571-F586 HydrophobicContact CE2-CG 4.31Å; F571-F586 HydrophobicContact CZ-CB 4.02Å; F571-F586 HydrophobicContact CZ-CD2 4.43Å; F571-F586 HydrophobicContact CZ-CG 4.49Å
572Q87.5Confident72.9Confident88 Ų8894.7 Ų94.741%0.41152%0.518SS..EExtended strand (participates in β ladder)trans-129141.2-179.2-63.5-172.410.500112.3A574 A587 V589Q572-A574 PolarHBondContact O-N 3.37Å; Q572-A587 HydrophobicContact CB-CB 4.22Å; Q572-A587 PolarHBondContact N-O 2.71Å; Q572-A587 PolarHBondContact O-N 3.44Å; Q572-A587 VanDerWaalsContact O-O 3.13Å; Q572-V589 HydrophobicContact CG-CG2 4.17Å; Q572-V589 VanDerWaalsContact NE2-CG2 3.27Å
573K83Confident71.6Confident139 Ų13994.4 Ų94.460%0.60451%0.514SS*.EExtended strand (participates in β ladder)trans-71.7125.1170-172.3166.4-173.1165.40109.7L565 R575L565-K573 HydrophobicContact CD1-CB 3.84Å; L565-K573 HydrophobicContact CD2-CB 4.2Å; L565-K573 HydrophobicContact CD2-CD 4.15Å; K573-R575 PolarHBondContact O-N 3.02Å
574A71.6Confident71Confident15 Ų1592.2 Ų92.212%0.12451%0.505CS..PPolyproline II helixtrans-63.5136.1179.200000111.2Q572 S576 H585Q572-A574 PolarHBondContact O-N 3.37Å; A574-S576 PolarHBondContact O-N 3.13Å; A574-H585 HydrophobicContact CB-CB 3.6Å
575R66.9Low70.8Confident218 Ų21893.4 Ų93.482%0.82351%0.51SS*.PPolyproline II helixtrans-74.2118.2165.8-72-174.4176.6-171.5-0.5108.5K573K573-R575 PolarHBondContact O-N 3.02Å
576S58.1Low71Confident97 Ų9790 Ų9068%0.67849%0.492SS*.PPolyproline II helixtrans-55.6141.5179-48.50000111.9A574A574-S576 PolarHBondContact O-N 3.13Å
577P55.6Low71.4Confident97 Ų9786.4 Ų86.463%0.6346%0.455SS*.PPolyproline II helixtrans-53.2155.5159.9-23.534.9000111.2G579P577-G579 PolarHBondContact O-N 3.47Å
578K49.6Very low71.7Confident220 Ų22079.3 Ų79.396%0.95742%0.424SS*.SBendtrans-68.4100.1-176-70.4179.5178.1176.70111.7
579G49.6Very low71.9Confident54 Ų5479.2 Ų79.256%0.55743%0.427SS*.SBendtrans122.3115.5157.600000116.4P577 Q581P577-G579 PolarHBondContact O-N 3.47Å; G579-Q581 VanDerWaalsContact C-N 3.31Å; G579-Q581 PolarHBondContact O-N 3.33Å
580T46.9Very low71.9Confident152 Ų15274.6 Ų74.693%0.93340%0.396SS*.SBendtrans64.1-3.7142.2-13.60000120.9
581Q47.7Very low71.5Confident157 Ų15775.2 Ų75.273%0.73440%0.396SS*.  trans-131.2126.4165.2-68-165.91.400112.3G579 E583G579-Q581 VanDerWaalsContact C-N 3.31Å; G579-Q581 PolarHBondContact O-N 3.33Å; Q581-E583 VanDerWaalsContact C-N 3.34Å; Q581-E583 PolarHBondContact O-N 2.95Å
582S50.5Low70.7Confident92 Ų9275.6 Ų75.664%0.64340%0.401SS*.  trans-90.367.7176.958.70000110.9Q554Q554-S582 PolarHBondContact NE2-O 3.25Å
583E60.4Low70.3Confident98 Ų9872.8 Ų72.846%0.45840%0.396SS..  trans-57.8137.3165-72.5-177.6-142.800110Q581 H585 N598Q581-E583 VanDerWaalsContact C-N 3.34Å; Q581-E583 PolarHBondContact O-N 2.95Å; E583-H585 VanDerWaalsContact CB-CE1 3.46Å; E583-H585 WeakPolarHBondContact CB-CE1 3.44Å; E583-H585 WeakPolarHBondContact CB-ND1 3.39Å; E583-H585 PolarHBondContact O-N 2.68Å; E583-H585 PolarHBondContact O-ND1 2.69Å; E583-H585 IonicContact OE2-CE1 3.77Å; E583-H585 PolarHBondContact OE2-CE1 3.04Å; E583-N598 PolarHBondContact OE2-ND2 2.98Å
584A73.2Confident70.4Confident8 Ų869.7 Ų69.77%0.06639%0.388CS..  trans-70.595.5-170.700000111.4D553 Q554 V557 A599D553-A584 HydrophobicContact CB-CB 4.27Å; D553-A584 WeakPolarHBondContact O-CB 3.11Å; Q554-A584 HydrophobicContact CG-CB 4.27Å; V557-A584 HydrophobicContact CB-CB 4.16Å; V557-A584 HydrophobicContact CG2-CB 3.85Å; A584-A599 HydrophobicContact CB-CB 4.04Å; A584-A599 VanDerWaalsContact O-CB 3.26Å; A584-A599 WeakPolarHBondContact O-CB 3.16Å; A584-A599 PolarHBondContact O-N 3.47Å
585H84Confident71.1Confident42 Ų4269 Ų6919%0.19438%0.383CS..EExtended strand (participates in β ladder)trans-119.5143.7-176.1-74.186.6000113.5A574 E583 Y597 N598A574-H585 HydrophobicContact CB-CB 3.6Å; E583-H585 VanDerWaalsContact CB-CE1 3.46Å; E583-H585 WeakPolarHBondContact CB-CE1 3.44Å; E583-H585 WeakPolarHBondContact CB-ND1 3.39Å; E583-H585 PolarHBondContact O-N 2.68Å; E583-H585 PolarHBondContact O-ND1 2.69Å; E583-H585 IonicContact OE2-CE1 3.77Å; E583-H585 PolarHBondContact OE2-CE1 3.04Å; H585-Y597 WeakPolarHBondContact CA-O 3.31Å; H585-N598 PolarHBondContact CE1-ND2 3.41Å; H585-N598 WeakPolarHBondContact NE2-CB 3.29Å; H585-N598 PolarHBondContact NE2-ND2 3.25Å
586F90.2Very high72.1Confident0 Ų065.5 Ų65.50%037%0.369CS..EExtended strand (participates in β ladder)trans-141172.116867.9-83.9000110.5I538 F556 V557 L560 F571 I588 Y597 A599 W602I538-F586 HydrophobicContact CD1-CE2 4.05Å; I538-F586 HydrophobicContact CG2-CZ 4.3Å; F556-F586 HydrophobicContact CE1-CE1 4.41Å; V557-F586 HydrophobicContact CG2-CD1 4.01Å; L560-F586 HydrophobicContact CD1-CD1 4.06Å; L560-F586 HydrophobicContact CD1-CD2 4.47Å; L560-F586 HydrophobicContact CD1-CE1 3.94Å; L560-F586 HydrophobicContact CD1-CE2 4.37Å; L560-F586 HydrophobicContact CD1-CG 4.32Å; L560-F586 HydrophobicContact CD1-CZ 4.09Å; F571-F586 HydrophobicContact CE2-CB 4.26Å; F571-F586 AromaticContact CE2-CD2 3.82Å; F571-F586 HydrophobicContact CE2-CD2 3.82Å; F571-F586 HydrophobicContact CE2-CG 4.31Å; F571-F586 HydrophobicContact CZ-CB 4.02Å; F571-F586 HydrophobicContact CZ-CD2 4.43Å; F571-F586 HydrophobicContact CZ-CG 4.49Å; F586-I588 HydrophobicContact CD2-CG1 4.29Å; F586-I588 HydrophobicContact CE2-CD1 3.95Å; F586-I588 HydrophobicContact CE2-CG1 4.02Å; F586-Y597 HydrophobicContact CD2-CD2 4.5Å; F586-Y597 AromaticContact CE2-CD2 3.94Å; F586-Y597 HydrophobicContact CE2-CD2 3.94Å; F586-Y597 HydrophobicContact CE2-CG 4.41Å; F586-Y597 HydrophobicContact CZ-CD2 4.28Å; F586-Y597 HydrophobicContact CZ-CG 4.31Å; F586-Y597 PolarHBondContact N-O 2.78Å; F586-Y597 VanDerWaalsContact N-O 3.16Å; F586-Y597 PolarHBondContact O-N 3.29Å; F586-A599 HydrophobicContact CE1-CB 4.41Å; F586-W602 AromaticContact CE1-CH2 3.76Å; F586-W602 HydrophobicContact CE1-CH2 3.76Å; F586-W602 HydrophobicContact CE1-CZ2 4.47Å; F586-W602 AromaticContact CE1-CZ3 3.89Å; F586-W602 HydrophobicContact CE1-CZ3 3.89Å; F586-W602 AromaticContact CZ-CH2 3.55Å; F586-W602 HydrophobicContact CZ-CH2 3.55Å; F586-W602 AromaticContact CZ-CZ3 3.74Å; F586-W602 HydrophobicContact CZ-CZ3 3.74Å
587A90.1Very high73.6Confident4 Ų460.9 Ų60.93%0.03334%0.337CS..EExtended strand (participates in β ladder)trans-136.3144.2178.400000111.9Q572 T594 V595 R596Q572-A587 HydrophobicContact CB-CB 4.22Å; Q572-A587 PolarHBondContact N-O 2.71Å; Q572-A587 PolarHBondContact O-N 3.44Å; Q572-A587 VanDerWaalsContact O-O 3.13Å; A587-T594 HydrophobicContact CB-CG2 4.11Å; A587-V595 WeakPolarHBondContact CA-O 3.39Å; A587-V595 WeakPolarHBondContact CB-O 3.44Å; A587-R596 HydrophobicContact CB-CG 4.37Å
588I91.2Very high75.1Confident0 Ų056.4 Ų56.40%031%0.308CS..EExtended strand (participates in β ladder)trans-118.6136.7173.8-59.5167000108.6L484 L531 I532 I538 N570 F586 H590 T594 V595 Y597L484-I588 HydrophobicContact CD1-CD1 3.69Å; L531-I588 HydrophobicContact CD2-CG1 4.46Å; L531-I588 HydrophobicContact CD2-CG2 4.26Å; I532-I588 HydrophobicContact CD1-CD1 4.29Å; I532-I588 HydrophobicContact CG1-CD1 4.39Å; I538-I588 HydrophobicContact CD1-CD1 3.7Å; I538-I588 HydrophobicContact CD1-CG1 4.19Å; N570-I588 CarbonylContact O-C 3.53Å; N570-I588 WeakPolarHBondContact O-CA 3.04Å; F586-I588 HydrophobicContact CD2-CG1 4.29Å; F586-I588 HydrophobicContact CE2-CD1 3.95Å; F586-I588 HydrophobicContact CE2-CG1 4.02Å; I588-H590 PolarHBondContact O-N 2.76Å; I588-T594 CarbonylContact O-C 3.57Å; I588-T594 WeakPolarHBondContact O-CA 2.86Å; I588-V595 PolarHBondContact N-O 3.45Å; I588-V595 PolarHBondContact O-N 2.55Å; I588-Y597 HydrophobicContact CB-CE2 4.22Å; I588-Y597 HydrophobicContact CD1-CD2 4.16Å; I588-Y597 HydrophobicContact CD1-CE2 3.81Å; I588-Y597 HydrophobicContact CG1-CD2 4.38Å; I588-Y597 HydrophobicContact CG1-CE2 4.18Å
589V88.6Confident76.9Confident41 Ų4146 Ų4625%0.24826%0.263CS..EExtended strand (participates in β ladder)trans-84.997.6166.8-170.80000108.2N570 Q572 T594N570-V589 HydrophobicContact CB-CB 4.33Å; N570-V589 PolarHBondContact ND2-O 2.9Å; N570-V589 PolarHBondContact O-N 3Å; Q572-V589 HydrophobicContact CG-CG2 4.17Å; Q572-V589 VanDerWaalsContact NE2-CG2 3.27Å; V589-T594 HydrophobicContact CG2-CG2 4.5Å
590H85.3Confident78.5Confident6 Ų645.7 Ų45.73%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-87.7165.3173.2-69-87.8000110.6F473 E491 I588 A592 G593 Y597F473-H590 HydrophobicContact CE2-CB 3.85Å; F473-H590 HydrophobicContact CZ-CB 3.46Å; F473-H590 VanDerWaalsContact CZ-CB 3.46Å; F473-H590 AromaticContact CZ-CG 3.61Å; E491-H590 VanDerWaalsContact OE2-CB 3.31Å; E491-H590 WeakPolarHBondContact OE2-CB 3.35Å; E491-H590 IonicContact OE2-CE1 2.72Å; E491-H590 IonicContact OE2-CG 3.17Å; E491-H590 IonicContact OE2-ND1 2.73Å; E491-H590 PolarHBondContact OE2-ND1 2.68Å; I588-H590 PolarHBondContact O-N 2.76Å; H590-A592 PolarHBondContact O-N 3.42Å; H590-A592 VanDerWaalsContact O-N 3.13Å; H590-G593 WeakPolarHBondContact CB-O 3.43Å; H590-G593 PolarHBondContact N-O 2.71Å; H590-G593 PolarHBondContact O-N 2.91Å; H590-Y597 AromaticContact NE2-CE2 3.48Å; H590-Y597 WeakPolarHBondContact NE2-CE2 3.05Å; H590-Y597 AromaticContact NE2-CZ 3.58Å; H590-Y597 PolarHBondContact NE2-OH 2.89Å
591Y79.4Confident80Confident44 Ų4439.5 Ų39.517%0.17322%0.219CC..THydrogen-bonded Turntrans-53.7-3217581.5-89000114.2F473 N490 E491 Q494 L525 C708F473-Y591 HydrophobicContact CD2-CD1 4.47Å; F473-Y591 AromaticContact CD2-CE1 3.62Å; F473-Y591 HydrophobicContact CD2-CE1 3.62Å; F473-Y591 AromaticContact CD2-CZ 3.96Å; F473-Y591 HydrophobicContact CE2-CD1 4.3Å; F473-Y591 AromaticContact CE2-CE1 3.86Å; F473-Y591 HydrophobicContact CE2-CE1 3.86Å; N490-Y591 HydrophobicContact CB-CE1 4.32Å; E491-Y591 PolarHBondContact OE1-N 3.28Å; Q494-Y591 HydrophobicContact CB-CD1 4.31Å; Q494-Y591 HydrophobicContact CB-CE1 4.19Å; Q494-Y591 HydrophobicContact CG-CD2 4.11Å; Q494-Y591 HydrophobicContact CG-CE2 4.27Å; Q494-Y591 HydrophobicContact CG-CG 4.23Å; L525-Y591 HydrophobicContact CD1-CD1 4.18Å; L525-Y591 HydrophobicContact CD1-CG 4.06Å; Y591-C708 HydrophobicContact CD2-CB 4.02Å; Y591-C708 WeakPolarHBondContact CD2-O 3.06Å; Y591-C708 HydrophobicContact CE2-CB 4.2Å; Y591-C708 WeakPolarHBondContact CE2-O 3.11Å; Y591-C708 PolarHBondContact O-SG 2.71Å
592A74.5Confident81.9Confident16 Ų1632.1 Ų32.113%0.13218%0.184CC..THydrogen-bonded Turntrans-87.6-3.4178.800000114.5F473 H590F473-A592 HydrophobicContact CD1-CB 3.67Å; F473-A592 HydrophobicContact CD2-CB 4.05Å; F473-A592 HydrophobicContact CE1-CB 3.75Å; F473-A592 HydrophobicContact CE2-CB 4.12Å; F473-A592 HydrophobicContact CG-CB 3.85Å; F473-A592 HydrophobicContact CZ-CB 3.99Å; H590-A592 PolarHBondContact O-N 3.42Å; H590-A592 VanDerWaalsContact O-N 3.13Å
593G79.9Confident83.4Confident29 Ų2927.9 Ų27.930%0.29915%0.154SC..EExtended strand (participates in β ladder)trans132.3-176.5179.900000114.4H590 V595H590-G593 WeakPolarHBondContact CB-O 3.43Å; H590-G593 PolarHBondContact N-O 2.71Å; H590-G593 PolarHBondContact O-N 2.91Å; G593-V595 PolarHBondContact O-N 2.88Å
594T84.7Confident84.1Confident73 Ų7327.6 Ų27.645%0.44815%0.153SC..EExtended strand (participates in β ladder)trans-86.5110.7-179.5-54.50000111.4A587 I588 V589A587-T594 HydrophobicContact CB-CG2 4.11Å; I588-T594 CarbonylContact O-C 3.57Å; I588-T594 WeakPolarHBondContact O-CA 2.86Å; V589-T594 HydrophobicContact CG2-CG2 4.5Å
595V85.9Confident84.2Confident0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-96.7138.1178.6-173.50000110.1F473 I475 N479 A587 I588 G593 Y597F473-V595 HydrophobicContact CE1-CG2 3.66Å; F473-V595 HydrophobicContact CZ-CG2 3.84Å; I475-V595 HydrophobicContact CD1-CG2 4.21Å; I475-V595 HydrophobicContact CG1-CG2 4.07Å; N479-V595 HydrophobicContact CB-CG1 4.15Å; A587-V595 WeakPolarHBondContact CA-O 3.39Å; A587-V595 WeakPolarHBondContact CB-O 3.44Å; I588-V595 PolarHBondContact N-O 3.45Å; I588-V595 PolarHBondContact O-N 2.55Å; G593-V595 PolarHBondContact O-N 2.88Å; V595-Y597 HydrophobicContact CB-CE2 3.86Å; V595-Y597 HydrophobicContact CG1-CD1 4.38Å; V595-Y597 HydrophobicContact CG1-CD2 4.4Å; V595-Y597 HydrophobicContact CG1-CE1 3.76Å; V595-Y597 HydrophobicContact CG1-CE2 3.8Å; V595-Y597 VanDerWaalsContact CG1-CZ 3.45Å
596R88.7Confident83.8Confident145 Ų14528 Ų2855%0.54715%0.153SC..EExtended strand (participates in β ladder)trans-103.4120.9175.9-59.3-177.2-169.7171.58.8110N479 A587N479-R596 WeakPolarHBondContact CB-O 3.48Å; N479-R596 PolarHBondContact ND2-O 2.7Å; A587-R596 HydrophobicContact CB-CG 4.37Å
597Y89.3Confident82.9Confident0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-103.6134.5179.3-64.1-74.7000110.8N479 Q483 L484 N487 H585 F586 I588 H590 V595 W602N479-Y597 HydrophobicContact CB-CD1 3.7Å; N479-Y597 HydrophobicContact CB-CE1 3.92Å; N479-Y597 WeakPolarHBondContact O-CA 3.15Å; Q483-Y597 HydrophobicContact CB-CE1 4.23Å; L484-Y597 HydrophobicContact CB-CD1 4.11Å; L484-Y597 HydrophobicContact CB-CE1 3.85Å; L484-Y597 HydrophobicContact CD1-CD2 4.38Å; L484-Y597 HydrophobicContact CD1-CE1 4.23Å; L484-Y597 HydrophobicContact CD1-CE2 3.92Å; N487-Y597 WeakPolarHBondContact CB-OH 3.28Å; N487-Y597 PolarHBondContact ND2-OH 2.73Å; H585-Y597 WeakPolarHBondContact CA-O 3.31Å; F586-Y597 HydrophobicContact CD2-CD2 4.5Å; F586-Y597 AromaticContact CE2-CD2 3.94Å; F586-Y597 HydrophobicContact CE2-CD2 3.94Å; F586-Y597 HydrophobicContact CE2-CG 4.41Å; F586-Y597 HydrophobicContact CZ-CD2 4.28Å; F586-Y597 HydrophobicContact CZ-CG 4.31Å; F586-Y597 PolarHBondContact N-O 2.78Å; F586-Y597 VanDerWaalsContact N-O 3.16Å; F586-Y597 PolarHBondContact O-N 3.29Å; I588-Y597 HydrophobicContact CB-CE2 4.22Å; I588-Y597 HydrophobicContact CD1-CD2 4.16Å; I588-Y597 HydrophobicContact CD1-CE2 3.81Å; I588-Y597 HydrophobicContact CG1-CD2 4.38Å; I588-Y597 HydrophobicContact CG1-CE2 4.18Å; H590-Y597 AromaticContact NE2-CE2 3.48Å; H590-Y597 WeakPolarHBondContact NE2-CE2 3.05Å; H590-Y597 AromaticContact NE2-CZ 3.58Å; H590-Y597 PolarHBondContact NE2-OH 2.89Å; V595-Y597 HydrophobicContact CB-CE2 3.86Å; V595-Y597 HydrophobicContact CG1-CD1 4.38Å; V595-Y597 HydrophobicContact CG1-CD2 4.4Å; V595-Y597 HydrophobicContact CG1-CE1 3.76Å; V595-Y597 HydrophobicContact CG1-CE2 3.8Å; V595-Y597 VanDerWaalsContact CG1-CZ 3.45Å; Y597-W602 HydrophobicContact CD1-CH2 4.44Å; Y597-W602 HydrophobicContact CD1-CZ2 4.36Å; Y597-W602 HydrophobicContact CG-CH2 4.29Å; Y597-W602 HydrophobicContact CG-CZ2 4.43Å
598N86.5Confident81.8Confident4 Ų433.7 Ų33.72%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-99.2110.5170.4-171.1-27.6000108.4F478 N479 E583 H585 S600 W602F478-N598 HydrophobicContact CD2-CB 4.23Å; F478-N598 HydrophobicContact CE2-CB 3.97Å; F478-N598 WeakPolarHBondContact CE2-ND2 3.28Å; N479-N598 PolarHBondContact O-N 3.25Å; E583-N598 PolarHBondContact OE2-ND2 2.98Å; H585-N598 PolarHBondContact CE1-ND2 3.41Å; H585-N598 WeakPolarHBondContact NE2-CB 3.29Å; H585-N598 PolarHBondContact NE2-ND2 3.25Å; N598-S600 PolarHBondContact O-N 3.43Å; N598-S600 VanDerWaalsContact OD1-CB 3.22Å; N598-S600 WeakPolarHBondContact OD1-CB 3.35Å; N598-S600 PolarHBondContact OD1-N 2.91Å; N598-S600 PolarHBondContact OD1-OG 2.78Å; N598-W602 PolarHBondContact O-NE1 3.07Å
599A87.6Confident80.5Confident0 Ų037.3 Ų37.30%020%0.203CC..  trans-75.7-5.9-176.700000113.9D553 F556 V557 A584 F586 G601 W602D553-A599 HydrophobicContact CB-CB 4.38Å; D553-A599 VanDerWaalsContact CB-O 3.25Å; D553-A599 WeakPolarHBondContact CB-O 3.35Å; F556-A599 HydrophobicContact CD1-CB 4.15Å; F556-A599 HydrophobicContact CE1-CB 4.27Å; V557-A599 HydrophobicContact CG2-CB 3.4Å; A584-A599 HydrophobicContact CB-CB 4.04Å; A584-A599 VanDerWaalsContact O-CB 3.26Å; A584-A599 WeakPolarHBondContact O-CB 3.16Å; A584-A599 PolarHBondContact O-N 3.47Å; F586-A599 HydrophobicContact CE1-CB 4.41Å; A599-G601 PolarHBondContact O-N 2.73Å; A599-W602 VanDerWaalsContact CA-CD1 3.46Å; A599-W602 HydrophobicContact CB-CD2 4.29Å; A599-W602 HydrophobicContact CB-CG 4.35Å; A599-W602 VanDerWaalsContact O-CB 3.23Å; A599-W602 WeakPolarHBondContact O-CB 3.07Å; A599-W602 PolarHBondContact O-N 3.37Å
600S84Confident79.7Confident48 Ų4837.1 Ų37.134%0.33620%0.2SC..THydrogen-bonded Turntrans-59.8124.2-175.4-51.70000111.9N598N598-S600 PolarHBondContact O-N 3.43Å; N598-S600 VanDerWaalsContact OD1-CB 3.22Å; N598-S600 WeakPolarHBondContact OD1-CB 3.35Å; N598-S600 PolarHBondContact OD1-N 2.91Å; N598-S600 PolarHBondContact OD1-OG 2.78Å
601G79.4Confident79.2Confident23 Ų2338 Ų3824%0.23721%0.205CC..THydrogen-bonded Turntrans7614.7-175.200000115.4D553 A599 K605D553-G601 VanDerWaalsContact CG-N 3.29Å; D553-G601 WeakPolarHBondContact OD2-CA 3.34Å; D553-G601 PolarHBondContact OD2-N 2.6Å; A599-G601 PolarHBondContact O-N 2.73Å; G601-K605 WeakPolarHBondContact O-CB 3.49Å; G601-K605 WeakPolarHBondContact O-CG 3.21Å; G601-K605 PolarHBondContact O-N 2.71Å
602W86.3Confident79.3Confident1 Ų137.3 Ų37.30%0.00420%0.204CC..Hα-helixtrans-70.5-41-178.8-79.931.8000112.5S480 F481 L484 L542 D553 F556 F586 Y597 N598 A599 E604 K605 N606S480-W602 PolarHBondContact OG-NE1 2.82Å; F481-W602 HydrophobicContact CB-CD2 3.87Å; F481-W602 HydrophobicContact CB-CG 3.96Å; F481-W602 HydrophobicContact CB-CZ2 4.41Å; F481-W602 HydrophobicContact CD2-CD2 4.16Å; F481-W602 HydrophobicContact CD2-CE3 4.02Å; F481-W602 HydrophobicContact CD2-CZ3 4.43Å; F481-W602 HydrophobicContact CG-CD2 4.43Å; F481-W602 VanDerWaalsContact N-CE2 3.26Å; L484-W602 HydrophobicContact CB-CH2 3.99Å; L484-W602 HydrophobicContact CD2-CH2 3.58Å; L484-W602 HydrophobicContact CD2-CZ3 3.54Å; L484-W602 HydrophobicContact CG-CH2 4.33Å; L542-W602 HydrophobicContact CD1-CB 4.03Å; L542-W602 HydrophobicContact CD1-CE3 4.44Å; L542-W602 HydrophobicContact CD2-CE3 4.38Å; D553-W602 PolarHBondContact OD1-N 2.95Å; F556-W602 AromaticContact CE1-CE3 3.66Å; F556-W602 HydrophobicContact CE1-CE3 3.66Å; F556-W602 HydrophobicContact CE1-CZ3 4.06Å; F556-W602 HydrophobicContact CZ-CE3 4.09Å; F556-W602 HydrophobicContact CZ-CZ3 4.29Å; F586-W602 AromaticContact CE1-CH2 3.76Å; F586-W602 HydrophobicContact CE1-CH2 3.76Å; F586-W602 HydrophobicContact CE1-CZ2 4.47Å; F586-W602 AromaticContact CE1-CZ3 3.89Å; F586-W602 HydrophobicContact CE1-CZ3 3.89Å; F586-W602 AromaticContact CZ-CH2 3.55Å; F586-W602 HydrophobicContact CZ-CH2 3.55Å; F586-W602 AromaticContact CZ-CZ3 3.74Å; F586-W602 HydrophobicContact CZ-CZ3 3.74Å; Y597-W602 HydrophobicContact CD1-CH2 4.44Å; Y597-W602 HydrophobicContact CD1-CZ2 4.36Å; Y597-W602 HydrophobicContact CG-CH2 4.29Å; Y597-W602 HydrophobicContact CG-CZ2 4.43Å; N598-W602 PolarHBondContact O-NE1 3.07Å; A599-W602 VanDerWaalsContact CA-CD1 3.46Å; A599-W602 HydrophobicContact CB-CD2 4.29Å; A599-W602 HydrophobicContact CB-CG 4.35Å; A599-W602 VanDerWaalsContact O-CB 3.23Å; A599-W602 WeakPolarHBondContact O-CB 3.07Å; A599-W602 PolarHBondContact O-N 3.37Å; W602-E604 VanDerWaalsContact C-N 3.31Å; W602-E604 PolarHBondContact O-N 3.31Å; W602-K605 PolarHBondContact O-N 3.34Å; W602-N606 WeakPolarHBondContact O-CB 3.23Å; W602-N606 PolarHBondContact O-N 2.62Å
603L82.9Confident79.7Confident3 Ų337.5 Ų37.52%0.01621%0.205CC..Hα-helixtrans-61-42.2178.4-63.4178.5000111.6L542 E545 A551 S552 D553 N606 K607L542-L603 HydrophobicContact CD1-CD2 3.72Å; E545-L603 HydrophobicContact CB-CD1 4.49Å; E545-L603 HydrophobicContact CB-CD2 3.57Å; A551-L603 HydrophobicContact CB-CD1 3.78Å; S552-L603 VanDerWaalsContact C-CD1 3.41Å; D553-L603 PolarHBondContact OD1-N 2.64Å; L603-N606 PolarHBondContact O-N 2.81Å; L603-K607 WeakPolarHBondContact O-CD 2.97Å; L603-K607 VanDerWaalsContact O-CG 3.24Å; L603-K607 WeakPolarHBondContact O-CG 3.09Å; L603-K607 PolarHBondContact O-N 3.32Å; L603-K607 VanDerWaalsContact O-N 3.08Å
604E74.4Confident80.1Confident93 Ų9336.1 Ų36.144%0.43519%0.191SC..Hα-helixtrans-73.7-35.1178.3-59-50.2119.300112.6W602 N606 K607 D608W602-E604 VanDerWaalsContact C-N 3.31Å; W602-E604 PolarHBondContact O-N 3.31Å; E604-N606 PolarHBondContact O-N 2.65Å; E604-K607 IonicContact OE1-NZ 3.88Å; E604-K607 PolarHBondContact OE1-NZ 2.93Å; E604-D608 PolarHBondContact O-N 3.37Å
605K75.5Confident80.1Confident59 Ų5932.7 Ų32.726%0.25717%0.169SC..Hα-helixtrans-63.8-27.4170.6-79.5176.9179.4-170.40113.4S480 F481 E482 G601 W602S480-K605 PolarHBondContact OG-NZ 3.11Å; F481-K605 HydrophobicContact CB-CD 4.1Å; F481-K605 HydrophobicContact CD1-CB 4.09Å; E482-K605 IonicContact OE1-NZ 2.79Å; E482-K605 IonicContact OE2-NZ 2.62Å; E482-K605 PolarHBondContact OE2-NZ 3.23Å; G601-K605 WeakPolarHBondContact O-CB 3.49Å; G601-K605 WeakPolarHBondContact O-CG 3.21Å; G601-K605 PolarHBondContact O-N 2.71Å; W602-K605 PolarHBondContact O-N 3.34Å
606N75.8Confident80.1Confident0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-89.6-26.1-178-164.339.4000113.1F481 L542 D543 C546 W602 L603 E604 T659 V660 S661F481-N606 HydrophobicContact CE1-CB 4.35Å; F481-N606 HydrophobicContact CZ-CB 4.23Å; F481-N606 WeakPolarHBondContact CZ-OD1 3.26Å; L542-N606 HydrophobicContact CD2-CB 4.1Å; L542-N606 HydrophobicContact CG-CB 4.44Å; D543-N606 PolarHBondContact OD1-ND2 2.69Å; D543-N606 VanDerWaalsContact OD1-ND2 3.09Å; C546-N606 PolarHBondContact SG-ND2 3.16Å; C546-N606 VanDerWaalsContact SG-ND2 3.35Å; W602-N606 WeakPolarHBondContact O-CB 3.23Å; W602-N606 PolarHBondContact O-N 2.62Å; L603-N606 PolarHBondContact O-N 2.81Å; E604-N606 PolarHBondContact O-N 2.65Å; N606-T659 WeakPolarHBondContact O-CA 3.27Å; N606-V660 PolarHBondContact O-N 3.24Å; N606-V660 PolarHBondContact OD1-N 2.85Å; N606-S661 PolarHBondContact ND2-OG 2.72Å; N606-S661 PolarHBondContact OD1-N 3.42Å; N606-S661 PolarHBondContact OD1-OG 3.35Å
607K71.6Confident80Confident70 Ų7029 Ų2930%0.30417%0.165SC..Hα-helixtrans-76.7-34.6168-66.5164.1-167.7171.90113.1C546 L603 E604C546-K607 HydrophobicContact CB-CG 4.3Å; C546-K607 VanDerWaalsContact O-CE 3.29Å; C546-K607 WeakPolarHBondContact O-CE 3.29Å; L603-K607 WeakPolarHBondContact O-CD 2.97Å; L603-K607 VanDerWaalsContact O-CG 3.24Å; L603-K607 WeakPolarHBondContact O-CG 3.09Å; L603-K607 PolarHBondContact O-N 3.32Å; L603-K607 VanDerWaalsContact O-N 3.08Å; E604-K607 IonicContact OE1-NZ 3.88Å; E604-K607 PolarHBondContact OE1-NZ 2.93Å
608D66.3Low80Confident53 Ų5329 Ų2928%0.28317%0.165SC..  trans37.460.5-170.9-153.937.7000113.7E604 L610 V660E604-D608 PolarHBondContact O-N 3.37Å; D608-L610 PolarHBondContact O-N 3.26Å; D608-V660 HydrophobicContact CB-CG2 4.11Å
609P64.4Low80Confident75 Ų7530.9 Ų30.949%0.48717%0.173SC..  trans-66.5106.4-167.426.8-35000112.5
610L71.5Confident79.9Confident37 Ų3734.9 Ų34.919%0.19420%0.201CC..  trans-82.5153.5170-85.5164.2000111.8L434 A437 D608 W631 Y634L434-L610 HydrophobicContact CD1-CD2 4.14Å; A437-L610 HydrophobicContact CB-CD1 4.09Å; A437-L610 HydrophobicContact CB-CD2 3.78Å; A437-L610 HydrophobicContact CB-CG 4.42Å; D608-L610 PolarHBondContact O-N 3.26Å; L610-W631 HydrophobicContact CD1-CH2 4.02Å; L610-W631 HydrophobicContact CD1-CZ3 4.09Å; L610-W631 HydrophobicContact CD2-CH2 4.07Å; L610-Y634 HydrophobicContact CD1-CE2 4.16Å
611N75.1Confident79.8Confident26 Ų2633.1 Ų33.114%0.13919%0.189CC..  trans-98.5100.5179178-15.1000110A405 P409 S613 V614 V615A405-N611 PolarHBondContact O-ND2 2.85Å; P409-N611 WeakPolarHBondContact CB-OD1 3.32Å; N611-S613 PolarHBondContact O-N 3.08Å; N611-S613 VanDerWaalsContact O-N 3.1Å; N611-S613 WeakPolarHBondContact OD1-CB 3.06Å; N611-S613 PolarHBondContact OD1-N 2.88Å; N611-S613 VanDerWaalsContact OD1-N 3.13Å; N611-V614 HydrophobicContact CB-CB 4.49Å; N611-V614 HydrophobicContact CB-CG2 4.14Å; N611-V614 PolarHBondContact O-N 2.89Å; N611-V615 PolarHBondContact O-N 3.19Å
612D79.9Confident79.5Confident28 Ų2836.1 Ų36.115%0.1521%0.211CC..Hα-helixtrans-44.5-40.8177.9-72.870.3000114.2V614 V615 S616 T636 Q637D612-V614 VanDerWaalsContact C-N 3.3Å; D612-V614 PolarHBondContact O-N 3.03Å; D612-V615 PolarHBondContact O-N 3.45Å; D612-S616 PolarHBondContact O-N 2.9Å; D612-T636 WeakPolarHBondContact OD2-CA 3.33Å; D612-Q637 PolarHBondContact OD1-NE2 3.23Å; D612-Q637 WeakPolarHBondContact OD2-CB 3.15Å; D612-Q637 VanDerWaalsContact OD2-CG 3.3Å; D612-Q637 WeakPolarHBondContact OD2-CG 3.31Å; D612-Q637 PolarHBondContact OD2-N 2.8Å
613S84.6Confident79Confident20 Ų2042.4 Ų42.414%0.1425%0.245CC..Hα-helixtrans-63.3-38.5-178.7-65.10000111.5R410 N611 S616 V617R410-S613 PolarHBondContact N-OG 3.14Å; R410-S613 PolarHBondContact O-OG 2.71Å; N611-S613 PolarHBondContact O-N 3.08Å; N611-S613 VanDerWaalsContact O-N 3.1Å; N611-S613 WeakPolarHBondContact OD1-CB 3.06Å; N611-S613 PolarHBondContact OD1-N 2.88Å; N611-S613 VanDerWaalsContact OD1-N 3.13Å; S613-S616 PolarHBondContact O-N 3.45Å; S613-V617 PolarHBondContact O-N 2.77Å
614V86.8Confident79.1Confident1 Ų142.3 Ų42.31%0.00625%0.245CC..Hα-helixtrans-75.3-36.9179.4-174.60000110.7F402 A405 L406 L434 N611 D612 S616 V617 L618F402-V614 HydrophobicContact CD2-CG1 3.8Å; F402-V614 HydrophobicContact CE2-CG1 3.52Å; F402-V614 HydrophobicContact CZ-CG1 4.44Å; A405-V614 HydrophobicContact CB-CB 4.33Å; A405-V614 HydrophobicContact CB-CG2 3.6Å; L406-V614 HydrophobicContact CD2-CG2 3.93Å; L406-V614 HydrophobicContact CG-CG2 3.98Å; L434-V614 HydrophobicContact CD1-CG1 4.34Å; L434-V614 HydrophobicContact CD2-CG1 3.5Å; N611-V614 HydrophobicContact CB-CB 4.49Å; N611-V614 HydrophobicContact CB-CG2 4.14Å; N611-V614 PolarHBondContact O-N 2.89Å; D612-V614 VanDerWaalsContact C-N 3.3Å; D612-V614 PolarHBondContact O-N 3.03Å; V614-S616 VanDerWaalsContact C-N 3.3Å; V614-S616 PolarHBondContact O-N 2.78Å; V614-V617 PolarHBondContact O-N 3.13Å; V614-V617 VanDerWaalsContact O-N 3.14Å; V614-L618 HydrophobicContact CG1-CD1 4.22Å; V614-L618 WeakPolarHBondContact O-CG 3.12Å; V614-L618 PolarHBondContact O-N 3.32Å
615V86.4Confident79.6Confident0 Ų046.1 Ų46.10%026%0.255CS..Hα-helixtrans-63.7-37.5173.8-177.10000111.3N611 D612 V617 L618 K619 W631 Y634 T636N611-V615 PolarHBondContact O-N 3.19Å; D612-V615 PolarHBondContact O-N 3.45Å; V615-V617 VanDerWaalsContact C-N 3.29Å; V615-V617 PolarHBondContact O-N 3.43Å; V615-L618 PolarHBondContact O-N 2.87Å; V615-K619 PolarHBondContact O-N 3.21Å; V615-W631 HydrophobicContact CB-CE3 4.37Å; V615-W631 HydrophobicContact CB-CZ3 4.38Å; V615-W631 HydrophobicContact CG1-CD2 3.81Å; V615-W631 HydrophobicContact CG1-CE3 3.39Å; V615-W631 HydrophobicContact CG1-CG 4.29Å; V615-W631 HydrophobicContact CG1-CZ3 3.82Å; V615-W631 HydrophobicContact CG2-CE3 4.07Å; V615-W631 HydrophobicContact CG2-CH2 3.81Å; V615-W631 HydrophobicContact CG2-CZ2 4.43Å; V615-W631 HydrophobicContact CG2-CZ3 3.59Å; V615-Y634 HydrophobicContact CB-CD1 4.22Å; V615-Y634 HydrophobicContact CB-CE1 4.05Å; V615-Y634 HydrophobicContact CG1-CD1 3.54Å; V615-Y634 HydrophobicContact CG1-CE1 3.9Å; V615-Y634 HydrophobicContact CG1-CG 4.35Å; V615-Y634 HydrophobicContact CG2-CD1 4.38Å; V615-Y634 HydrophobicContact CG2-CE1 3.97Å; V615-T636 HydrophobicContact CB-CG2 4.3Å; V615-T636 HydrophobicContact CG1-CG2 4.26Å
616S84.9Confident80.2Confident49 Ų4943.6 Ų43.634%0.34324%0.244SC..Hα-helixtrans-63.1-32.1173.6-1690000113.2D612 S613 V614D612-S616 PolarHBondContact O-N 2.9Å; S613-S616 PolarHBondContact O-N 3.45Å; V614-S616 VanDerWaalsContact C-N 3.3Å; V614-S616 PolarHBondContact O-N 2.78Å
617V87.7Confident80.9Confident19 Ų1943.6 Ų43.612%0.11524%0.244CC..Hα-helixtrans-73.6-43.1173.2174.60000110.8I397 D401 F402 A405 S613 V614 V615 K619 S620I397-V617 HydrophobicContact CB-CG1 4.3Å; I397-V617 HydrophobicContact CD1-CG1 4.4Å; D401-V617 HydrophobicContact CB-CG2 4.3Å; F402-V617 HydrophobicContact CB-CG1 4.34Å; A405-V617 HydrophobicContact CB-CG2 4.26Å; S613-V617 PolarHBondContact O-N 2.77Å; V614-V617 PolarHBondContact O-N 3.13Å; V614-V617 VanDerWaalsContact O-N 3.14Å; V615-V617 VanDerWaalsContact C-N 3.29Å; V615-V617 PolarHBondContact O-N 3.43Å; V617-K619 VanDerWaalsContact C-N 3.29Å; V617-K619 PolarHBondContact O-N 2.78Å; V617-S620 PolarHBondContact O-N 3.07Å; V617-S620 PolarHBondContact O-OG 3.18Å
618L88.8Confident81.7Confident0 Ų042.6 Ų42.60%024%0.244CC..Hα-helixtrans-61.2-37.2177.8-68.9166.5000112.4M395 I397 L434 I438 V614 V615 S620 S621 I627 W631M395-L618 HydrophobicContact CE-CD2 4.49Å; M395-L618 HydrophobicContact SD-CD2 3.81Å; I397-L618 HydrophobicContact CD1-CD2 3.82Å; L434-L618 HydrophobicContact CD1-CD1 3.84Å; I438-L618 HydrophobicContact CD1-CD1 4.39Å; V614-L618 HydrophobicContact CG1-CD1 4.22Å; V614-L618 WeakPolarHBondContact O-CG 3.12Å; V614-L618 PolarHBondContact O-N 3.32Å; V615-L618 PolarHBondContact O-N 2.87Å; L618-S620 PolarHBondContact O-N 2.77Å; L618-S621 PolarHBondContact O-N 2.9Å; L618-I627 HydrophobicContact CD2-CD1 3.67Å; L618-W631 HydrophobicContact CD1-CZ2 4.05Å
619K86.8Confident82.6Confident43 Ų4343.3 Ų43.319%0.18725%0.248CC..THydrogen-bonded Turntrans-64.8-16.6172.3-79.7-174.2167.2-171.80115V615 V617 W631 Y634 E639V615-K619 PolarHBondContact O-N 3.21Å; V617-K619 VanDerWaalsContact C-N 3.29Å; V617-K619 PolarHBondContact O-N 2.78Å; K619-W631 WeakPolarHBondContact CE-O 3.21Å; K619-W631 HydrophobicContact CG-CB 3.97Å; K619-Y634 WeakPolarHBondContact CE-O 3.08Å; K619-Y634 PolarHBondContact NZ-O 3.33Å; K619-E639 IonicContact NZ-OE1 2.68Å; K619-E639 PolarHBondContact NZ-OE1 2.72Å; K619-E639 IonicContact NZ-OE2 3.54Å; K619-E639 PolarHBondContact NZ-OE2 3.36Å
620S83.8Confident83.8Confident85 Ų8540.1 Ų40.159%0.59423%0.227SC*.THydrogen-bonded Turntrans-94.36.5-179.369.20000114.4V617 L618 A622V617-S620 PolarHBondContact O-N 3.07Å; V617-S620 PolarHBondContact O-OG 3.18Å; L618-S620 PolarHBondContact O-N 2.77Å; S620-A622 PolarHBondContact O-N 2.97Å
621S83.1Confident84.5Confident10 Ų1038.4 Ų38.47%0.0722%0.217CC..  trans-60130173.1-177.10000111.6M395 A396 L618 I627 V628M395-S621 PolarHBondContact O-OG 3.46Å; A396-S621 WeakPolarHBondContact O-CA 3.24Å; A396-S621 PolarHBondContact O-OG 2.72Å; A396-S621 VanDerWaalsContact O-OG 3.14Å; L618-S621 PolarHBondContact O-N 2.9Å; S621-I627 WeakPolarHBondContact OG-CG2 3.48Å; S621-V628 WeakPolarHBondContact O-CG2 3.23Å
622A72.8Confident84.8Confident86 Ų8640.5 Ų40.571%0.71124%0.239SC*.SBendtrans-91-45.1-178.600000112.7S620S620-A622 PolarHBondContact O-N 2.97Å
623D76.8Confident84.6Confident133 Ų13343.5 Ų43.571%0.71125%0.254SS*.SBendtrans-100.6-10.3-166.6-53.2-43.1000114.2A396A396-D623 HydrophobicContact CB-CB 3.87Å
624N83.7Confident84.1Confident2 Ų244.9 Ų44.91%0.01126%0.257CS..  trans-112.977.7178.7-169.1-21.2000110.3L394 A396 L626 I627L394-N624 PolarHBondContact O-ND2 2.76Å; A396-N624 HydrophobicContact CB-CB 4.07Å; N624-L626 PolarHBondContact O-N 2.7Å; N624-L626 VanDerWaalsContact O-N 3.08Å; N624-I627 HydrophobicContact CB-CG2 4.37Å; N624-I627 VanDerWaalsContact O-CG2 3.32Å; N624-I627 WeakPolarHBondContact O-CG2 2.98Å; N624-I627 PolarHBondContact O-N 3.49Å
625R85.4Confident83.2Confident172 Ų17250.4 Ų50.465%0.64928%0.283SS*.Hα-helixtrans-50.9-36.5-177.9-179.4178.5175.3173.32.4113.6I627 V628 D629R625-I627 PolarHBondContact O-N 3.22Å; R625-V628 PolarHBondContact O-N 3.09Å; R625-V628 VanDerWaalsContact O-N 3.07Å; R625-D629 IonicContact NE-OD2 2.58Å; R625-D629 PolarHBondContact O-N 3.11Å
626L88.6Confident82.4Confident7 Ų750.5 Ų50.54%0.03728%0.283CS..Hα-helixtrans-57.1-37.4177.2176.661.5000111.7N355 L356 L359 W445 N624 V628 D629 I630N355-L626 HydrophobicContact CB-CB 3.99Å; N355-L626 HydrophobicContact CB-CD2 3.91Å; L356-L626 HydrophobicContact CD2-CD2 4.02Å; L356-L626 HydrophobicContact CG-CD2 4.1Å; L359-L626 HydrophobicContact CD1-CD2 3.67Å; L359-L626 HydrophobicContact CD1-CG 3.84Å; L359-L626 HydrophobicContact CG-CD2 4.44Å; W445-L626 HydrophobicContact CD2-CD1 3.28Å; W445-L626 HydrophobicContact CE3-CD1 3.55Å; W445-L626 HydrophobicContact CG-CD1 3.72Å; W445-L626 HydrophobicContact CH2-CD1 4.12Å; W445-L626 HydrophobicContact CZ2-CD1 3.84Å; W445-L626 HydrophobicContact CZ3-CD1 3.97Å; N624-L626 PolarHBondContact O-N 2.7Å; N624-L626 VanDerWaalsContact O-N 3.08Å; L626-V628 VanDerWaalsContact C-N 3.31Å; L626-V628 PolarHBondContact O-N 3.45Å; L626-D629 PolarHBondContact O-N 3.31Å; L626-I630 HydrophobicContact CD1-CG2 3.92Å; L626-I630 HydrophobicContact CG-CG2 4.41Å; L626-I630 WeakPolarHBondContact O-CG1 3.36Å; L626-I630 WeakPolarHBondContact O-CG2 2.78Å; L626-I630 PolarHBondContact O-N 3.47Å
627I89.6Confident81.5Confident0 Ų051.3 Ų51.30%028%0.282CS..Hα-helixtrans-69.8-29.9179.3-140.5175.5000112.3L359 M395 L618 S621 N624 R625 I630L359-I627 HydrophobicContact CD2-CB 4.43Å; L359-I627 HydrophobicContact CD2-CD1 3.76Å; L359-I627 HydrophobicContact CD2-CG1 3.95Å; M395-I627 HydrophobicContact CB-CD1 3.56Å; M395-I627 HydrophobicContact CG-CD1 3.55Å; M395-I627 HydrophobicContact SD-CD1 3.77Å; L618-I627 HydrophobicContact CD2-CD1 3.67Å; S621-I627 WeakPolarHBondContact OG-CG2 3.48Å; N624-I627 HydrophobicContact CB-CG2 4.37Å; N624-I627 VanDerWaalsContact O-CG2 3.32Å; N624-I627 WeakPolarHBondContact O-CG2 2.98Å; N624-I627 PolarHBondContact O-N 3.49Å; R625-I627 PolarHBondContact O-N 3.22Å; I627-I630 HydrophobicContact CG1-CD1 4.06Å; I627-I630 HydrophobicContact CG1-CG1 4.43Å; I627-I630 WeakPolarHBondContact O-CG1 3.24Å
628V88.3Confident80.3Confident49 Ų4952.3 Ų52.330%0.29729%0.285SS..Hα-helixtrans-72.4-47.7173.2-175.80000110.1S621 R625 L626 I630 W631 A632S621-V628 WeakPolarHBondContact O-CG2 3.23Å; R625-V628 PolarHBondContact O-N 3.09Å; R625-V628 VanDerWaalsContact O-N 3.07Å; L626-V628 VanDerWaalsContact C-N 3.31Å; L626-V628 PolarHBondContact O-N 3.45Å; V628-I630 VanDerWaalsContact C-N 3.33Å; V628-I630 PolarHBondContact O-N 3.12Å; V628-W631 PolarHBondContact O-N 3.35Å; V628-W631 VanDerWaalsContact O-N 3.1Å; V628-A632 PolarHBondContact O-N 3.49Å
629D86.5Confident79.2Confident68 Ų6855.2 Ų55.236%0.36430%0.299SS..Hα-helixtrans-58.2-40.3179.2-79.52.3000112.3R625 L626 W631R625-D629 IonicContact NE-OD2 2.58Å; R625-D629 PolarHBondContact O-N 3.11Å; L626-D629 PolarHBondContact O-N 3.31Å; D629-W631 VanDerWaalsContact C-N 3.28Å; D629-W631 PolarHBondContact O-N 2.66Å
630I88.3Confident77.8Confident8 Ų856.2 Ų56.24%0.04131%0.311CS..THydrogen-bonded Turntrans-73.3-12.717969.6175000114.2L359 I438 R441 W445 L626 I627 V628L359-I630 HydrophobicContact CD1-CD1 4.02Å; I438-I630 HydrophobicContact CG2-CD1 4.3Å; R441-I630 HydrophobicContact CB-CB 3.96Å; R441-I630 PolarHBondContact NH1-O 2.72Å; W445-I630 HydrophobicContact CB-CG2 3.74Å; W445-I630 HydrophobicContact CG-CG2 4.11Å; L626-I630 HydrophobicContact CD1-CG2 3.92Å; L626-I630 HydrophobicContact CG-CG2 4.41Å; L626-I630 WeakPolarHBondContact O-CG1 3.36Å; L626-I630 WeakPolarHBondContact O-CG2 2.78Å; L626-I630 PolarHBondContact O-N 3.47Å; I627-I630 HydrophobicContact CG1-CD1 4.06Å; I627-I630 HydrophobicContact CG1-CG1 4.43Å; I627-I630 WeakPolarHBondContact O-CG1 3.24Å; V628-I630 VanDerWaalsContact C-N 3.33Å; V628-I630 PolarHBondContact O-N 3.12Å
631W87.4Confident76.4Confident0 Ų054 Ų540%030%0.295CS..THydrogen-bonded Turntrans-112.7-4177.6-72.8112.7000113.7L434 A437 I438 L610 V615 L618 K619 V628 D629 D633 Y634L434-W631 HydrophobicContact CD1-CH2 4.48Å; L434-W631 HydrophobicContact CD1-CZ2 4.2Å; A437-W631 HydrophobicContact CB-CH2 3.91Å; A437-W631 HydrophobicContact CB-CZ2 4.34Å; I438-W631 HydrophobicContact CG1-CZ2 4.14Å; L610-W631 HydrophobicContact CD1-CH2 4.02Å; L610-W631 HydrophobicContact CD1-CZ3 4.09Å; L610-W631 HydrophobicContact CD2-CH2 4.07Å; V615-W631 HydrophobicContact CB-CE3 4.37Å; V615-W631 HydrophobicContact CB-CZ3 4.38Å; V615-W631 HydrophobicContact CG1-CD2 3.81Å; V615-W631 HydrophobicContact CG1-CE3 3.39Å; V615-W631 HydrophobicContact CG1-CG 4.29Å; V615-W631 HydrophobicContact CG1-CZ3 3.82Å; V615-W631 HydrophobicContact CG2-CE3 4.07Å; V615-W631 HydrophobicContact CG2-CH2 3.81Å; V615-W631 HydrophobicContact CG2-CZ2 4.43Å; V615-W631 HydrophobicContact CG2-CZ3 3.59Å; L618-W631 HydrophobicContact CD1-CZ2 4.05Å; K619-W631 WeakPolarHBondContact CE-O 3.21Å; K619-W631 HydrophobicContact CG-CB 3.97Å; V628-W631 PolarHBondContact O-N 3.35Å; V628-W631 VanDerWaalsContact O-N 3.1Å; D629-W631 VanDerWaalsContact C-N 3.28Å; D629-W631 PolarHBondContact O-N 2.66Å; W631-D633 PolarHBondContact O-N 2.77Å; W631-D633 VanDerWaalsContact O-N 3.16Å; W631-Y634 HydrophobicContact CE3-CG 4.21Å; W631-Y634 HydrophobicContact CZ3-CD2 4.43Å; W631-Y634 HydrophobicContact CZ3-CG 4.3Å; W631-Y634 PolarHBondContact O-N 3.26Å; W631-Y634 VanDerWaalsContact O-N 3.14Å
632A81.7Confident75Confident71 Ų7160.3 Ų60.359%0.58732%0.322SS*.THydrogen-bonded Turntrans-59.1-26.2-178.100000114.6V628V628-A632 PolarHBondContact O-N 3.49Å
633D74Confident73.9Confident90 Ų9061.1 Ų61.148%0.48131%0.309SS..THydrogen-bonded Turntrans-87.2-4.5179.675.50.8000115.2R441 K444 W631R441-D633 IonicContact CZ-OD1 3.73Å; R441-D633 IonicContact NH1-OD1 3.86Å; R441-D633 PolarHBondContact NH1-OD1 2.91Å; R441-D633 IonicContact NH2-OD1 3.94Å; R441-D633 PolarHBondContact NH2-OD1 3.22Å; K444-D633 IonicContact NZ-OD2 3.32Å; K444-D633 PolarHBondContact NZ-OD2 2.85Å; W631-D633 PolarHBondContact O-N 2.77Å; W631-D633 VanDerWaalsContact O-N 3.16Å
634Y74.8Confident72.1Confident50 Ų5063.6 Ų63.620%0.19631%0.313CS..  trans-100.2114.9-176.3-173.4-94.1000110.7L610 V615 K619 W631 T636L610-Y634 HydrophobicContact CD1-CE2 4.16Å; V615-Y634 HydrophobicContact CB-CD1 4.22Å; V615-Y634 HydrophobicContact CB-CE1 4.05Å; V615-Y634 HydrophobicContact CG1-CD1 3.54Å; V615-Y634 HydrophobicContact CG1-CE1 3.9Å; V615-Y634 HydrophobicContact CG1-CG 4.35Å; V615-Y634 HydrophobicContact CG2-CD1 4.38Å; V615-Y634 HydrophobicContact CG2-CE1 3.97Å; K619-Y634 WeakPolarHBondContact CE-O 3.08Å; K619-Y634 PolarHBondContact NZ-O 3.33Å; W631-Y634 HydrophobicContact CE3-CG 4.21Å; W631-Y634 HydrophobicContact CZ3-CD2 4.43Å; W631-Y634 HydrophobicContact CZ3-CG 4.3Å; W631-Y634 PolarHBondContact O-N 3.26Å; W631-Y634 VanDerWaalsContact O-N 3.14Å; Y634-T636 HydrophobicContact CD1-CG2 4.09Å; Y634-T636 HydrophobicContact CE1-CG2 4.08Å
635E68.7Low70Confident116 Ų11666.6 Ų66.654%0.54233%0.332SS..  trans-89.7115.4176-60.8-163.3131.400111K643E635-K643 IonicContact OE1-NZ 2.66Å; E635-K643 PolarHBondContact OE1-NZ 3.23Å
636T69.1Low67.8Low2 Ų262.7 Ų62.71%0.01232%0.324CS..  trans-73.3161.7175.9590000112.3D612 V615 Y634 E638 E639 S640D612-T636 WeakPolarHBondContact OD2-CA 3.33Å; V615-T636 HydrophobicContact CB-CG2 4.3Å; V615-T636 HydrophobicContact CG1-CG2 4.26Å; Y634-T636 HydrophobicContact CD1-CG2 4.09Å; Y634-T636 HydrophobicContact CE1-CG2 4.08Å; T636-E638 PolarHBondContact O-N 2.78Å; T636-E639 WeakPolarHBondContact CB-OE2 2.92Å; T636-E639 WeakPolarHBondContact CG2-OE2 3.37Å; T636-E639 PolarHBondContact N-OE2 3.07Å; T636-E639 PolarHBondContact O-N 3.29Å; T636-E639 VanDerWaalsContact OG1-CG 3.32Å; T636-E639 WeakPolarHBondContact OG1-CG 3.44Å; T636-E639 PolarHBondContact OG1-N 2.89Å; T636-E639 VanDerWaalsContact OG1-N 3.13Å; T636-E639 PolarHBondContact OG1-OE2 3.08Å; T636-S640 WeakPolarHBondContact O-CB 3.11Å; T636-S640 PolarHBondContact O-N 3.04Å; T636-S640 PolarHBondContact O-OG 2.89Å
637Q65Low65.2Low67 Ų6763.2 Ų63.231%0.31333%0.328SS..Hα-helixtrans-56.6-28.8168.1-72.7170.853.700112.6W417 D612 S640 S641W417-Q637 HydrophobicContact CH2-CB 3.67Å; W417-Q637 HydrophobicContact CZ3-CB 4.34Å; D612-Q637 PolarHBondContact OD1-NE2 3.23Å; D612-Q637 WeakPolarHBondContact OD2-CB 3.15Å; D612-Q637 VanDerWaalsContact OD2-CG 3.3Å; D612-Q637 WeakPolarHBondContact OD2-CG 3.31Å; D612-Q637 PolarHBondContact OD2-N 2.8Å; Q637-S640 WeakPolarHBondContact CA-OG 3.01Å; Q637-S640 PolarHBondContact O-OG 3.08Å; Q637-S641 WeakPolarHBondContact O-CB 3.21Å; Q637-S641 PolarHBondContact O-N 2.74Å; Q637-S641 PolarHBondContact O-OG 3.12Å
638E63.6Low62.7Low39 Ų3968.8 Ų68.818%0.18236%0.361CS..Hα-helixtrans-72.2-48.8173.2-80.9-143.7-163.200111.7R410 W417 T636 S641 K642R410-E638 IonicContact CZ-OE1 3.5Å; R410-E638 IonicContact NE-OE1 2.64Å; R410-E638 IonicContact NH1-OE1 2.67Å; R410-E638 PolarHBondContact NH1-OE1 2.96Å; R410-E638 IonicContact NH1-OE2 3.81Å; W417-E638 HydrophobicContact CH2-CB 4.38Å; W417-E638 HydrophobicContact CH2-CG 3.55Å; W417-E638 HydrophobicContact CZ2-CB 4.49Å; W417-E638 HydrophobicContact CZ2-CG 3.73Å; W417-E638 HydrophobicContact CZ3-CG 4.27Å; T636-E638 PolarHBondContact O-N 2.78Å; E638-S641 PolarHBondContact O-N 3.39Å; E638-S641 PolarHBondContact O-OG 3.28Å; E638-K642 VanDerWaalsContact O-CG 3.31Å; E638-K642 WeakPolarHBondContact O-CG 3.01Å; E638-K642 PolarHBondContact O-N 2.77Å; E638-K642 WeakPolarHBondContact OE2-CE 3.37Å; E638-K642 IonicContact OE2-NZ 2.87Å; E638-K642 PolarHBondContact OE2-NZ 3.2Å
639E65.5Low60.2Low62 Ų6275.3 Ų75.329%0.2939%0.386SS..Hα-helixtrans-64.6-46.8-179.5-70.5162.6117.100112.2K619 T636 S641 K642 K643K619-E639 IonicContact NZ-OE1 2.68Å; K619-E639 PolarHBondContact NZ-OE1 2.72Å; K619-E639 IonicContact NZ-OE2 3.54Å; K619-E639 PolarHBondContact NZ-OE2 3.36Å; T636-E639 WeakPolarHBondContact CB-OE2 2.92Å; T636-E639 WeakPolarHBondContact CG2-OE2 3.37Å; T636-E639 PolarHBondContact N-OE2 3.07Å; T636-E639 PolarHBondContact O-N 3.29Å; T636-E639 VanDerWaalsContact OG1-CG 3.32Å; T636-E639 WeakPolarHBondContact OG1-CG 3.44Å; T636-E639 PolarHBondContact OG1-N 2.89Å; T636-E639 VanDerWaalsContact OG1-N 3.13Å; T636-E639 PolarHBondContact OG1-OE2 3.08Å; E639-S641 PolarHBondContact O-N 3.47Å; E639-K642 PolarHBondContact O-N 3.43Å; E639-K642 VanDerWaalsContact O-N 3.08Å; E639-K643 PolarHBondContact O-N 2.85Å
640S57.7Low57.5Low64 Ų6477.4 Ų77.445%0.44839%0.392SS..Hα-helixtrans-62.7-28.3175.755.20000113T636 Q637T636-S640 WeakPolarHBondContact O-CB 3.11Å; T636-S640 PolarHBondContact O-N 3.04Å; T636-S640 PolarHBondContact O-OG 2.89Å; Q637-S640 WeakPolarHBondContact CA-OG 3.01Å; Q637-S640 PolarHBondContact O-OG 3.08Å
641S54Low54.7Low37 Ų3784.1 Ų84.126%0.25942%0.42SS..Hα-helixtrans-82.6-21172.974.60000114.6Q637 E638 E639Q637-S641 WeakPolarHBondContact O-CB 3.21Å; Q637-S641 PolarHBondContact O-N 2.74Å; Q637-S641 PolarHBondContact O-OG 3.12Å; E638-S641 PolarHBondContact O-N 3.39Å; E638-S641 PolarHBondContact O-OG 3.28Å; E639-S641 PolarHBondContact O-N 3.47Å
642K54.4Low52Low143 Ų14386.5 Ų86.562%0.62245%0.445SS*.Hα-helixtrans-81.1-32.9171.9-71.6163.3-172.6164.60111.4E638 E639 K644E638-K642 VanDerWaalsContact O-CG 3.31Å; E638-K642 WeakPolarHBondContact O-CG 3.01Å; E638-K642 PolarHBondContact O-N 2.77Å; E638-K642 WeakPolarHBondContact OE2-CE 3.37Å; E638-K642 IonicContact OE2-NZ 2.87Å; E638-K642 PolarHBondContact OE2-NZ 3.2Å; E639-K642 PolarHBondContact O-N 3.43Å; E639-K642 VanDerWaalsContact O-N 3.08Å; K642-K644 VanDerWaalsContact C-N 3.27Å; K642-K644 PolarHBondContact O-N 2.77Å
643K47.8Very low49.7Very low103 Ų10392.8 Ų92.845%0.44846%0.46SS..  trans-74.665.7171.9-69.8-172.9177.6-1740113E635 E639 V645E635-K643 IonicContact OE1-NZ 2.66Å; E635-K643 PolarHBondContact OE1-NZ 3.23Å; E639-K643 PolarHBondContact O-N 2.85Å; K643-V645 PolarHBondContact O-N 2.79Å
644K40.1Very low48Very low185 Ų18591.7 Ų91.780%0.80446%0.463SS*.THydrogen-bonded Turntrans-70.139.7168.7-81.6-165.9163.3-162.70113.4K642K642-K644 VanDerWaalsContact C-N 3.27Å; K642-K644 PolarHBondContact O-N 2.77Å
645V39.5Very low46.2Very low66 Ų6692.5 Ų92.540%0.448%0.48SS..THydrogen-bonded Turntrans-143.2-17.5-159.3178.90000114.1K643 K945K643-V645 PolarHBondContact O-N 2.79Å; V645-K945 HydrophobicContact CG1-CD 3.85Å; V645-K945 HydrophobicContact CG1-CG 4.44Å
646D39.4Very low45Very low90 Ų9091.8 Ų91.848%0.48149%0.488SS..  trans-127.574.2-176.6-69.5-49.9000114.4
647P34.2Very low44.2Very low18 Ų1896.7 Ų96.712%0.11751%0.509CS..G310 helixtrans-86.8-1177.9-1.921.5000114.6K649 K650 I948 E952P647-K649 VanDerWaalsContact C-N 3.32Å; P647-K649 PolarHBondContact O-N 3.14Å; P647-K650 HydrophobicContact CB-CD 4.24Å; P647-K650 WeakPolarHBondContact O-CB 2.83Å; P647-K650 WeakPolarHBondContact O-CD 3.22Å; P647-K650 VanDerWaalsContact O-CG 3.23Å; P647-K650 WeakPolarHBondContact O-CG 3.33Å; P647-K650 PolarHBondContact O-N 3.2Å; P647-I948 HydrophobicContact CB-CG2 3.42Å; P647-I948 VanDerWaalsContact CB-CG2 3.42Å; P647-I948 HydrophobicContact CG-CB 4.14Å; P647-I948 HydrophobicContact CG-CG2 3.45Å; P647-I948 VanDerWaalsContact CG-CG2 3.45Å; P647-E952 HydrophobicContact CB-CG 4.17Å; P647-E952 HydrophobicContact CG-CG 4.1Å
648V36.9Very low44Very low116 Ų11697.7 Ų97.770%0.70352%0.516SS*.G310 helixtrans-76.4-11.7175.5160.30000113.8K650 I948V648-K650 VanDerWaalsContact C-N 3.28Å; V648-K650 PolarHBondContact O-N 2.89Å; V648-I948 HydrophobicContact CB-CD1 4.32Å; V648-I948 HydrophobicContact CG2-CD1 3.39Å; V648-I948 HydrophobicContact CG2-CG1 3.69Å; V648-I948 HydrophobicContact CG2-CG2 4.48Å
649K34.8Very low44.2Very low187 Ų18796 Ų9681%0.81351%0.509SS*.G310 helixtrans-89.622.3168.1-82-173.5177.91760114.3P647 K651P647-K649 VanDerWaalsContact C-N 3.32Å; P647-K649 PolarHBondContact O-N 3.14Å; K649-K651 PolarHBondContact O-N 2.79Å
650K29.7Very low44.4Very low112 Ų11294.5 Ų94.549%0.48750%0.503SS..  trans-72.959.5170-74174.4-177.1168.30113.4P647 V648 G652 E952P647-K650 HydrophobicContact CB-CD 4.24Å; P647-K650 WeakPolarHBondContact O-CB 2.83Å; P647-K650 WeakPolarHBondContact O-CD 3.22Å; P647-K650 VanDerWaalsContact O-CG 3.23Å; P647-K650 WeakPolarHBondContact O-CG 3.33Å; P647-K650 PolarHBondContact O-N 3.2Å; V648-K650 VanDerWaalsContact C-N 3.28Å; V648-K650 PolarHBondContact O-N 2.89Å; K650-G652 PolarHBondContact O-N 2.76Å; K650-E952 IonicContact NZ-OE1 2.75Å; K650-E952 PolarHBondContact NZ-OE1 3.49Å
651K30.4Very low45.3Very low148 Ų14891.4 Ų91.464%0.64348%0.482SS*.  trans-53.9127.8134.2-89.5-162.2169.8-166.80104.8K649K649-K651 PolarHBondContact O-N 2.79Å
652G30.8Very low46.1Very low51 Ų5192.3 Ų92.353%0.52648%0.483SS..  trans-66.3-157.9-156.400000115.6K650 A654 A655K650-G652 PolarHBondContact O-N 2.76Å; G652-A654 PolarHBondContact O-N 2.83Å; G652-A655 WeakPolarHBondContact O-CB 2.93Å; G652-A655 PolarHBondContact O-N 3.38Å
653K33.3Very low46.8Very low203 Ų20390.5 Ų90.588%0.88348%0.478SS*.THydrogen-bonded Turntrans-57.9-8.2178.1-68.1-179.7177.6177.90114.6A655K653-A655 VanDerWaalsContact C-N 3.34Å
654A38.3Very low48Very low67 Ų6788 Ų8855%0.55447%0.466SS*.THydrogen-bonded Turntrans-70-17.8166.900000114.8G652 S656 F657 L658G652-A654 PolarHBondContact O-N 2.83Å; A654-S656 VanDerWaalsContact C-N 3.3Å; A654-S656 PolarHBondContact O-N 2.8Å; A654-F657 CarbonylContact O-C 3.51Å; A654-F657 VanDerWaalsContact O-CA 3.31Å; A654-F657 WeakPolarHBondContact O-CA 2.84Å; A654-F657 PolarHBondContact O-N 3.05Å; A654-L658 PolarHBondContact O-N 3.32Å
655A37.1Very low49.8Very low66 Ų6682.8 Ų82.855%0.54544%0.441SS..G310 helixtrans-65.8-30.3-177.300000113.5G652 K653 F657G652-A655 WeakPolarHBondContact O-CB 2.93Å; G652-A655 PolarHBondContact O-N 3.38Å; K653-A655 VanDerWaalsContact C-N 3.34Å; A655-F657 VanDerWaalsContact C-N 3.26Å
656S43.4Very low51.4Low102 Ų10284.9 Ų84.971%0.71345%0.447SS*.G310 helixtrans-86.88.2169.465.80000113.4A654A654-S656 VanDerWaalsContact C-N 3.3Å; A654-S656 PolarHBondContact O-N 2.8Å
657F52Low52.9Low104 Ų10484 Ų8446%0.45645%0.447SS..G310 helixtrans-136.429.5-178.4-83.9-80.2000110.9A654 A655 T659A654-F657 CarbonylContact O-C 3.51Å; A654-F657 VanDerWaalsContact O-CA 3.31Å; A654-F657 WeakPolarHBondContact O-CA 2.84Å; A654-F657 PolarHBondContact O-N 3.05Å; A655-F657 VanDerWaalsContact C-N 3.26Å; F657-T659 PolarHBondContact O-N 2.82Å
658L60.8Low55.2Low89 Ų8983.6 Ų83.647%0.46644%0.444SS..  trans-69.1100.2171.3-177.368.9000108.3A654 M662 M663A654-L658 PolarHBondContact O-N 3.32Å; L658-M662 HydrophobicContact CD1-CB 4.03Å; L658-M662 HydrophobicContact CD1-SD 4.48Å; L658-M663 HydrophobicContact CD1-CG 4.43Å; L658-M663 HydrophobicContact CD2-CG 3.76Å; L658-M663 HydrophobicContact CD2-SD 3.97Å; L658-M663 HydrophobicContact CG-CG 3.81Å; L658-M663 HydrophobicContact CG-SD 4.35Å
659T68.7Low57.3Low4 Ų480.4 Ų80.43%0.02542%0.423CS..  trans-71.5156.5-174.563.20000112.2D543 C546 N606 F657 S661 M662 M663D543-T659 VanDerWaalsContact OD1-CB 3.27Å; D543-T659 WeakPolarHBondContact OD1-CB 3.01Å; D543-T659 WeakPolarHBondContact OD1-CG2 3.1Å; D543-T659 PolarHBondContact OD1-OG1 3.31Å; C546-T659 HydrophobicContact CB-CG2 4.31Å; N606-T659 WeakPolarHBondContact O-CA 3.27Å; F657-T659 PolarHBondContact O-N 2.82Å; T659-S661 PolarHBondContact O-N 3.32Å; T659-S661 PolarHBondContact OG1-OG 2.82Å; T659-M662 PolarHBondContact O-N 3.19Å; T659-M662 VanDerWaalsContact O-N 3.15Å; T659-M662 WeakPolarHBondContact OG1-CG 3.37Å; T659-M662 PolarHBondContact OG1-N 2.85Å; T659-M662 VanDerWaalsContact OG1-N 3.16Å; T659-M663 PolarHBondContact O-N 2.85Å; T659-M663 VanDerWaalsContact O-N 3.16Å
660V69.9Low59.4Low29 Ų2975.4 Ų75.418%0.17641%0.408CS..Hα-helixtrans-58.4-36.3175.71760000111.1F481 N606 D608 Y664F481-V660 HydrophobicContact CE1-CB 4.37Å; F481-V660 HydrophobicContact CE1-CG1 4.1Å; N606-V660 PolarHBondContact O-N 3.24Å; N606-V660 PolarHBondContact OD1-N 2.85Å; D608-V660 HydrophobicContact CB-CG2 4.11Å; V660-Y664 HydrophobicContact CG1-CD2 3.71Å; V660-Y664 HydrophobicContact CG1-CE2 3.25Å; V660-Y664 WeakPolarHBondContact O-CD2 3.12Å; V660-Y664 PolarHBondContact O-N 2.71Å
661S75Confident61.7Low0 Ų071.7 Ų71.70%039%0.394CS..Hα-helixtrans-68-39.3173.932.30000114.5D543 N606 T659 M663 Y664 R665D543-S661 PolarHBondContact OD1-OG 2.78Å; N606-S661 PolarHBondContact ND2-OG 2.72Å; N606-S661 PolarHBondContact OD1-N 3.42Å; N606-S661 PolarHBondContact OD1-OG 3.35Å; T659-S661 PolarHBondContact O-N 3.32Å; T659-S661 PolarHBondContact OG1-OG 2.82Å; S661-M663 VanDerWaalsContact C-N 3.33Å; S661-M663 PolarHBondContact O-N 3.43Å; S661-Y664 PolarHBondContact O-N 3.28Å; S661-R665 WeakPolarHBondContact O-CB 3.25Å; S661-R665 PolarHBondContact O-N 2.84Å
662M71.8Confident64.3Low56 Ų5665.4 Ų65.428%0.27637%0.367SS..Hα-helixtrans-60.5-46174.7-76.3-173.9-17200110.6D543 L658 T659 Y664 R665 E666D543-M662 HydrophobicContact CB-CE 4.06Å; L658-M662 HydrophobicContact CD1-CB 4.03Å; L658-M662 HydrophobicContact CD1-SD 4.48Å; T659-M662 PolarHBondContact O-N 3.19Å; T659-M662 VanDerWaalsContact O-N 3.15Å; T659-M662 WeakPolarHBondContact OG1-CG 3.37Å; T659-M662 PolarHBondContact OG1-N 2.85Å; T659-M662 VanDerWaalsContact OG1-N 3.16Å; M662-Y664 PolarHBondContact O-N 3.44Å; M662-R665 PolarHBondContact O-N 2.83Å; M662-E666 PolarHBondContact O-N 2.89Å
663M68.9Low66.8Low105 Ų10567.7 Ų67.752%0.51737%0.367SS..Hα-helixtrans-60.7-44.3176.9-64-170.167.500112.7L658 T659 S661 S667L658-M663 HydrophobicContact CD1-CG 4.43Å; L658-M663 HydrophobicContact CD2-CG 3.76Å; L658-M663 HydrophobicContact CD2-SD 3.97Å; L658-M663 HydrophobicContact CG-CG 3.81Å; L658-M663 HydrophobicContact CG-SD 4.35Å; T659-M663 PolarHBondContact O-N 2.85Å; T659-M663 VanDerWaalsContact O-N 3.16Å; S661-M663 VanDerWaalsContact C-N 3.33Å; S661-M663 PolarHBondContact O-N 3.43Å; M663-S667 WeakPolarHBondContact O-CB 2.98Å; M663-S667 PolarHBondContact O-N 2.92Å
664Y72.8Confident69.1Low49 Ų4959.9 Ų59.919%0.19233%0.334CS..Hα-helixtrans-69.6-32.3177.5-69.2-31.4000113R259 W485 V660 S661 M662 L668R259-Y664 WeakPolarHBondContact CD-OH 3.37Å; R259-Y664 WeakPolarHBondContact CG-OH 3.1Å; R259-Y664 VanDerWaalsContact NH1-CE2 3.28Å; W485-Y664 HydrophobicContact CD2-CD2 4.07Å; W485-Y664 HydrophobicContact CD2-CG 4.46Å; W485-Y664 HydrophobicContact CG-CD2 4.21Å; V660-Y664 HydrophobicContact CG1-CD2 3.71Å; V660-Y664 HydrophobicContact CG1-CE2 3.25Å; V660-Y664 WeakPolarHBondContact O-CD2 3.12Å; V660-Y664 PolarHBondContact O-N 2.71Å; S661-Y664 PolarHBondContact O-N 3.28Å; M662-Y664 PolarHBondContact O-N 3.44Å; Y664-L668 WeakPolarHBondContact O-CB 3.29Å; Y664-L668 PolarHBondContact O-N 2.75Å
665R77.8Confident71.3Confident77 Ų7756.7 Ų56.729%0.29131%0.307SS..Hα-helixtrans-66.9-46.1174.1-169.917764.9174.8-1.4111.8W485 S661 M662 L668 N669W485-R665 HydrophobicContact CH2-CB 4.17Å; S661-R665 WeakPolarHBondContact O-CB 3.25Å; S661-R665 PolarHBondContact O-N 2.84Å; M662-R665 PolarHBondContact O-N 2.83Å; R665-L668 PolarHBondContact O-N 2.88Å; R665-N669 WeakPolarHBondContact O-CB 3.07Å; R665-N669 PolarHBondContact O-N 2.9Å
666E72.4Confident73.6Confident110 Ų11061 Ų6151%0.51431%0.31SS..Hα-helixtrans-62.1-46176.8-72.3-177174.300111.7M662 N669 T670M662-E666 PolarHBondContact O-N 2.89Å; E666-N669 PolarHBondContact O-N 2.92Å; E666-T670 WeakPolarHBondContact O-CB 3.23Å; E666-T670 PolarHBondContact O-N 2.89Å; E666-T670 PolarHBondContact O-OG1 3.06Å
667S72.1Confident75.4Confident70 Ų7059.9 Ų59.949%0.4930%0.302SS..Hα-helixtrans-63.4-44.8177.2177.30000112.3M663 T670 L671M663-S667 WeakPolarHBondContact O-CB 2.98Å; M663-S667 PolarHBondContact O-N 2.92Å; S667-T670 WeakPolarHBondContact O-CB 3.06Å; S667-T670 PolarHBondContact O-N 2.75Å; S667-L671 PolarHBondContact O-N 3.21Å
668L81.7Confident77.1Confident10 Ų1055.5 Ų55.55%0.05228%0.283CS..Hα-helixtrans-65-41.8178.6-178.954.4000112W485 F488 V489 K492 Y664 R665 T670 L671 M672W485-L668 HydrophobicContact CZ3-CD2 4.26Å; F488-L668 HydrophobicContact CD1-CD2 3.91Å; F488-L668 HydrophobicContact CE1-CD2 3.62Å; F488-L668 HydrophobicContact CZ-CD2 4.41Å; V489-L668 HydrophobicContact CG1-CD1 4.21Å; V489-L668 HydrophobicContact CG2-CD1 3.9Å; V489-L668 HydrophobicContact CG2-CD2 3.76Å; V489-L668 HydrophobicContact CG2-CG 4.44Å; K492-L668 HydrophobicContact CD-CD2 3.83Å; K492-L668 HydrophobicContact CD-CG 4.16Å; Y664-L668 WeakPolarHBondContact O-CB 3.29Å; Y664-L668 PolarHBondContact O-N 2.75Å; R665-L668 PolarHBondContact O-N 2.88Å; L668-T670 VanDerWaalsContact C-N 3.33Å; L668-T670 PolarHBondContact O-N 2.58Å; L668-L671 PolarHBondContact O-N 2.85Å; L668-M672 HydrophobicContact CD1-CG 4.07Å; L668-M672 HydrophobicContact CG-CG 4.38Å; L668-M672 WeakPolarHBondContact O-CB 3.1Å; L668-M672 WeakPolarHBondContact O-CG 3.45Å; L668-M672 PolarHBondContact O-N 3.37Å
669N81.9Confident78.3Confident50 Ų5054.6 Ų54.627%0.26728%0.277SS..Hα-helixtrans-71.8-29.3178.4-70.2-17.9000112.1K492 E533 R665 E666 N673K492-N669 PolarHBondContact NZ-OD1 2.81Å; E533-N669 PolarHBondContact OE1-ND2 3.4Å; E533-N669 PolarHBondContact OE1-OD1 2.97Å; R665-N669 WeakPolarHBondContact O-CB 3.07Å; R665-N669 PolarHBondContact O-N 2.9Å; E666-N669 PolarHBondContact O-N 2.92Å; N669-N673 VanDerWaalsContact O-CB 3.31Å; N669-N673 WeakPolarHBondContact O-CB 3.11Å; N669-N673 PolarHBondContact O-N 2.64Å; N669-N673 PolarHBondContact O-ND2 2.84Å
670T77.8Confident79.3Confident82 Ų8255.2 Ų55.250%0.50328%0.281SS..Hα-helixtrans-62.2-47.3167.9-55.90000111.4E666 S667 L668 N673 M674E666-T670 WeakPolarHBondContact O-CB 3.23Å; E666-T670 PolarHBondContact O-N 2.89Å; E666-T670 PolarHBondContact O-OG1 3.06Å; S667-T670 WeakPolarHBondContact O-CB 3.06Å; S667-T670 PolarHBondContact O-N 2.75Å; L668-T670 VanDerWaalsContact C-N 3.33Å; L668-T670 PolarHBondContact O-N 2.58Å; T670-N673 PolarHBondContact O-N 2.94Å; T670-M674 PolarHBondContact O-N 3.29Å
671L80Confident80.3Confident34 Ų3454.7 Ų54.718%0.17828%0.276CS..Hα-helixtrans-62.1-46.6176.517763.4000112.1F239 L468 S667 L668 N673 M674 L675F239-L671 HydrophobicContact CB-CD1 4.17Å; F239-L671 HydrophobicContact CD1-CD1 4.03Å; F239-L671 HydrophobicContact CD2-CD1 3.98Å; F239-L671 HydrophobicContact CE1-CD1 4.39Å; F239-L671 HydrophobicContact CE2-CD1 4.35Å; F239-L671 HydrophobicContact CG-CD1 3.8Å; L468-L671 HydrophobicContact CD1-CD1 4.36Å; L468-L671 HydrophobicContact CD1-CD2 4.11Å; S667-L671 PolarHBondContact O-N 3.21Å; L668-L671 PolarHBondContact O-N 2.85Å; L671-N673 PolarHBondContact O-N 2.69Å; L671-M674 PolarHBondContact O-N 3.18Å; L671-L675 HydrophobicContact CD1-CD1 4.3Å; L671-L675 HydrophobicContact CD1-CG 4.32Å; L671-L675 HydrophobicContact CG-CD1 4.11Å; L671-L675 WeakPolarHBondContact O-CG 2.88Å; L671-L675 PolarHBondContact O-N 2.69Å
672M83.8Confident81Confident15 Ų1555.2 Ų55.27%0.07428%0.279CS..Hα-helixtrans-64.8-37.8-179.6-67.4-67.3-70.100112.2K492 L493 F496 L668 L675 R676K492-M672 HydrophobicContact CB-CE 3.97Å; K492-M672 HydrophobicContact CB-SD 4.29Å; K492-M672 HydrophobicContact CD-CG 4.46Å; K492-M672 HydrophobicContact CG-CE 4.43Å; K492-M672 WeakPolarHBondContact O-CE 3.47Å; L493-M672 HydrophobicContact CD2-SD 3.95Å; F496-M672 HydrophobicContact CB-CE 4.05Å; F496-M672 HydrophobicContact CD2-CE 4.3Å; L668-M672 HydrophobicContact CD1-CG 4.07Å; L668-M672 HydrophobicContact CG-CG 4.38Å; L668-M672 WeakPolarHBondContact O-CB 3.1Å; L668-M672 WeakPolarHBondContact O-CG 3.45Å; L668-M672 PolarHBondContact O-N 3.37Å; M672-L675 HydrophobicContact SD-CD1 4.44Å; M672-R676 WeakPolarHBondContact O-CB 3.12Å; M672-R676 VanDerWaalsContact O-CG 3.29Å; M672-R676 WeakPolarHBondContact O-CG 3.46Å; M672-R676 PolarHBondContact O-N 2.63Å
673N82.8Confident81.9Confident99 Ų9952.6 Ų52.653%0.52927%0.266SS..Hα-helixtrans-66-39173.1-73-13.4000111.6N669 T670 L671 R676 S677N669-N673 VanDerWaalsContact O-CB 3.31Å; N669-N673 WeakPolarHBondContact O-CB 3.11Å; N669-N673 PolarHBondContact O-N 2.64Å; N669-N673 PolarHBondContact O-ND2 2.84Å; T670-N673 PolarHBondContact O-N 2.94Å; L671-N673 PolarHBondContact O-N 2.69Å; N673-R676 PolarHBondContact O-N 2.98Å; N673-S677 PolarHBondContact O-N 2.78Å
674M81.3Confident82.8Confident39 Ų3947.8 Ų47.819%0.19224%0.242CC..Hα-helixtrans-65.9-43.7176.3-162.2177.5-57.600111.8F239 F464 T670 L671 R676 S677F239-M674 HydrophobicContact CD1-SD 4.5Å; F239-M674 HydrophobicContact CE1-SD 3.61Å; F239-M674 HydrophobicContact CZ-SD 4.33Å; F464-M674 HydrophobicContact CZ-CG 4.31Å; F464-M674 HydrophobicContact CZ-SD 4.44Å; T670-M674 PolarHBondContact O-N 3.29Å; L671-M674 PolarHBondContact O-N 3.18Å; M674-R676 VanDerWaalsContact C-N 3.33Å; M674-R676 PolarHBondContact O-N 2.84Å; M674-S677 PolarHBondContact O-N 2.93Å; M674-S677 PolarHBondContact O-OG 2.71Å
675L86.2Confident83.7Confident0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-60.9-40.6175.6-69169000111.9L169 F239 L468 L493 F496 L671 M672 S677 T678L169-L675 HydrophobicContact CD1-CD2 4.46Å; L169-L675 HydrophobicContact CD2-CD1 4.34Å; L169-L675 HydrophobicContact CD2-CD2 4.28Å; L169-L675 HydrophobicContact CG-CD2 4.37Å; F239-L675 HydrophobicContact CE2-CD2 4.04Å; F239-L675 HydrophobicContact CZ-CD2 4.48Å; L468-L675 HydrophobicContact CD2-CD1 4.01Å; L493-L675 HydrophobicContact CD2-CD1 3.76Å; F496-L675 HydrophobicContact CE2-CB 3.75Å; F496-L675 HydrophobicContact CZ-CB 3.81Å; L671-L675 HydrophobicContact CD1-CD1 4.3Å; L671-L675 HydrophobicContact CD1-CG 4.32Å; L671-L675 HydrophobicContact CG-CD1 4.11Å; L671-L675 WeakPolarHBondContact O-CG 2.88Å; L671-L675 PolarHBondContact O-N 2.69Å; M672-L675 HydrophobicContact SD-CD1 4.44Å; L675-S677 PolarHBondContact O-N 2.6Å; L675-T678 PolarHBondContact O-N 2.82Å; L675-T678 VanDerWaalsContact O-N 3.14Å; L675-T678 VanDerWaalsContact O-O 3.11Å; L675-T678 PolarHBondContact O-OG1 3.46Å
676R83.9Confident84.3Confident158 Ų15841.8 Ų41.860%0.59622%0.219SC*.Hα-helixtrans-64.5-17.6173.4-73.9173.8174.5-170.2-4.2114.2F496 M672 N673 M674F496-R676 HydrophobicContact CD2-CG 4.32Å; F496-R676 HydrophobicContact CE2-CG 3.9Å; M672-R676 WeakPolarHBondContact O-CB 3.12Å; M672-R676 VanDerWaalsContact O-CG 3.29Å; M672-R676 WeakPolarHBondContact O-CG 3.46Å; M672-R676 PolarHBondContact O-N 2.63Å; N673-R676 PolarHBondContact O-N 2.98Å; M674-R676 VanDerWaalsContact C-N 3.33Å; M674-R676 PolarHBondContact O-N 2.84Å
677S82.3Confident85Confident77 Ų7737 Ų3754%0.53820%0.197SC..THydrogen-bonded Turntrans-94.914.3174.771.20000113.8N673 M674 L675N673-S677 PolarHBondContact O-N 2.78Å; M674-S677 PolarHBondContact O-N 2.93Å; M674-S677 PolarHBondContact O-OG 2.71Å; L675-S677 PolarHBondContact O-N 2.6Å
678T87.4Confident85.9Confident12 Ų1233.7 Ų33.77%0.07417%0.174CC..SBendtrans-135.9151.1-179.862.30000111.2N165 S167 F464 L675 P680N165-T678 HydrophobicContact CB-CG2 3.88Å; N165-T678 CarbonylContact O-C 3.6Å; N165-T678 WeakPolarHBondContact O-CA 3.12Å; N165-T678 WeakPolarHBondContact O-CB 3Å; S167-T678 VanDerWaalsContact CB-OG1 3.28Å; S167-T678 WeakPolarHBondContact CB-OG1 3.43Å; S167-T678 PolarHBondContact OG-OG1 3.5Å; F464-T678 HydrophobicContact CE2-CG2 3.91Å; F464-T678 HydrophobicContact CZ-CG2 3.84Å; L675-T678 PolarHBondContact O-N 2.82Å; L675-T678 VanDerWaalsContact O-N 3.14Å; L675-T678 VanDerWaalsContact O-O 3.11Å; L675-T678 PolarHBondContact O-OG1 3.46Å; T678-P680 WeakPolarHBondContact O-CD 3.45Å
679H85.9Confident86.2Confident70 Ų7033.2 Ų33.232%0.32417%0.171SC..EExtended strand (participates in β ladder)trans-74120.9170.4-170.497.9000110.9N165 Q166 S167 H681N165-H679 PolarHBondContact O-N 2.92Å; Q166-H679 CarbonylContact C-O 3.51Å; Q166-H679 WeakPolarHBondContact CA-O 3.42Å; S167-H679 PolarHBondContact N-O 2.91Å; H679-H681 AromaticContact CD2-NE2 3.61Å
680P90.1Very high86.2Confident18 Ų1836.3 Ų36.312%0.11718%0.184CC..EExtended strand (participates in β ladder)trans-97121.5-169.434.5-31.4000114.4L169 F496 H500 T678 F682L169-P680 HydrophobicContact CD1-CB 3.63Å; F496-P680 HydrophobicContact CE1-CB 3.76Å; F496-P680 HydrophobicContact CE1-CG 4.06Å; F496-P680 HydrophobicContact CZ-CB 4.08Å; F496-P680 HydrophobicContact CZ-CG 4.21Å; H500-P680 HydrophobicContact CB-CG 4.44Å; T678-P680 WeakPolarHBondContact O-CD 3.45Å; P680-F682 HydrophobicContact CB-CE2 3.95Å; P680-F682 HydrophobicContact CB-CZ 3.95Å; P680-F682 HydrophobicContact CG-CE2 3.95Å; P680-F682 HydrophobicContact CG-CZ 4.15Å
681H90.6Very high86.4Confident17 Ų1734.8 Ų34.88%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-98.5124.6173.1-62.4-101.7000110.2I151 Q166 S167 I168 L169 H679I151-H681 HydrophobicContact CG2-CB 3.98Å; Q166-H681 PolarHBondContact OE1-NE2 2.78Å; S167-H681 WeakPolarHBondContact O-CB 3.1Å; S167-H681 PolarHBondContact O-CD2 2.83Å; S167-H681 PolarHBondContact O-N 3.01Å; I168-H681 CarbonylContact C-O 3.44Å; I168-H681 WeakPolarHBondContact CA-O 3.1Å; I168-H681 HydrophobicContact CG1-CB 4.23Å; L169-H681 PolarHBondContact N-O 2.81Å; H679-H681 AromaticContact CD2-NE2 3.61Å
682F89.2Confident86.4Confident11 Ų1136.4 Ų36.45%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-104.9134.4-171.9-65.6-82.3000114.2F115 C116 L169 F496 F497 H500 M501 P680F115-F682 HydrophobicContact CB-CB 3.84Å; F115-F682 WeakPolarHBondContact CB-O 3.22Å; C116-F682 PolarHBondContact N-O 3.47Å; L169-F682 HydrophobicContact CB-CD1 3.99Å; L169-F682 HydrophobicContact CB-CE1 4.27Å; L169-F682 HydrophobicContact CD1-CE1 4.37Å; L169-F682 HydrophobicContact CD2-CE1 3.98Å; L169-F682 HydrophobicContact CG-CE1 4.45Å; F496-F682 HydrophobicContact CD1-CE1 4.03Å; F496-F682 AromaticContact CD1-CZ 3.84Å; F496-F682 HydrophobicContact CD1-CZ 3.84Å; F496-F682 HydrophobicContact CE1-CE1 4.17Å; F496-F682 AromaticContact CE1-CZ 3.78Å; F496-F682 HydrophobicContact CE1-CZ 3.78Å; F497-F682 HydrophobicContact CB-CD1 4.38Å; F497-F682 HydrophobicContact CB-CE1 3.8Å; F497-F682 HydrophobicContact CB-CZ 4.07Å; F497-F682 HydrophobicContact CD2-CB 4.28Å; F497-F682 AromaticContact CD2-CD1 3.65Å; F497-F682 HydrophobicContact CD2-CD1 3.65Å; F497-F682 AromaticContact CD2-CD2 3.89Å; F497-F682 HydrophobicContact CD2-CD2 3.89Å; F497-F682 AromaticContact CD2-CE1 3.81Å; F497-F682 HydrophobicContact CD2-CE1 3.81Å; F497-F682 HydrophobicContact CD2-CE2 4.05Å; F497-F682 AromaticContact CD2-CG 3.68Å; F497-F682 HydrophobicContact CD2-CG 3.68Å; F497-F682 HydrophobicContact CD2-CZ 4.01Å; F497-F682 HydrophobicContact CE2-CB 4.32Å; F497-F682 HydrophobicContact CE2-CD1 4.49Å; F497-F682 HydrophobicContact CE2-CD2 4.36Å; F497-F682 HydrophobicContact CE2-CG 4.16Å; F497-F682 HydrophobicContact CG-CD1 4.49Å; F497-F682 HydrophobicContact CG-CE1 4.31Å; H500-F682 HydrophobicContact CB-CE2 4.41Å; H500-F682 HydrophobicContact CB-CZ 4.45Å; M501-F682 HydrophobicContact SD-CD2 4.45Å; P680-F682 HydrophobicContact CB-CE2 3.95Å; P680-F682 HydrophobicContact CB-CZ 3.95Å; P680-F682 HydrophobicContact CG-CE2 3.95Å; P680-F682 HydrophobicContact CG-CZ 4.15Å
683I90.7Very high86.3Confident1 Ų141.9 Ų41.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-125.7123173.9-64156.2000108.7V118 L148 I151 I168 L169 I170 T171V118-I683 HydrophobicContact CG2-CG2 3.59Å; L148-I683 HydrophobicContact CD1-CD1 3.5Å; L148-I683 HydrophobicContact CD1-CG1 4.42Å; I151-I683 HydrophobicContact CD1-CD1 4.24Å; I151-I683 HydrophobicContact CD1-CG1 3.76Å; I168-I683 HydrophobicContact CG2-CD1 3.53Å; L169-I683 PolarHBondContact O-N 3.18Å; I170-I683 HydrophobicContact CD1-CD1 4.37Å; I170-I683 HydrophobicContact CG1-CB 4.19Å; I170-I683 HydrophobicContact CG1-CD1 3.84Å; I170-I683 HydrophobicContact CG2-CG2 4.36Å; T171-I683 PolarHBondContact N-O 2.67Å; T171-I683 PolarHBondContact OG1-O 3.24Å
684R89.1Confident86.5Confident4 Ų439.5 Ų39.52%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-108.699.2-174.7-70.9-75.2177.3-178.23110.3F115 C116 V117 V118 T171 N709F115-R684 HydrophobicContact CD2-CG 3.97Å; F115-R684 HydrophobicContact CE2-CG 4.3Å; C116-R684 PolarHBondContact O-N 2.85Å; V117-R684 WeakPolarHBondContact CA-O 3.16Å; V117-R684 HydrophobicContact CG2-CB 4.35Å; V118-R684 PolarHBondContact N-O 2.83Å; T171-R684 WeakPolarHBondContact OG1-CD 3.32Å; R684-N709 WeakPolarHBondContact CD-OD1 3.33Å; R684-N709 PolarHBondContact NH1-OD1 3.28Å
685C90.7Very high86.6Confident0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-84.6133.9178-61.30000111.7V118 T171 G172 A176 K178V118-C685 CarbonylContact O-C 3.54Å; V118-C685 WeakPolarHBondContact O-CA 3.36Å; T171-C685 VanDerWaalsContact O-CB 3.29Å; T171-C685 WeakPolarHBondContact O-CB 3.38Å; T171-C685 PolarHBondContact O-N 2.65Å; G172-C685 VanDerWaalsContact CA-O 3.28Å; G172-C685 WeakPolarHBondContact CA-O 3.33Å; A176-C685 HydrophobicContact CB-CB 3.64Å; A176-C685 WeakPolarHBondContact O-CB 3.46Å; K178-C685 HydrophobicContact CG-CB 4.05Å
686I89.7Confident86.7Confident0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-121.5133.2-175.2-57-65.3000109.8V117 V118 I119 N120 V702 Q705V117-I686 HydrophobicContact CG1-CG1 3.84Å; V118-I686 PolarHBondContact O-N 3.03Å; I119-I686 HydrophobicContact CG1-CB 4.27Å; N120-I686 PolarHBondContact N-O 3.2Å; N120-I686 VanDerWaalsContact N-O 3.15Å; I686-V702 HydrophobicContact CG2-CG1 4.28Å; I686-V702 HydrophobicContact CG2-CG2 4.16Å; I686-Q705 HydrophobicContact CD1-CB 3.96Å
687V88.8Confident87Confident10 Ų1035.8 Ų35.86%0.06120%0.196CC..  trans-79.4122.5169.4177.10000108.6E173 A176 N689 L701 Q705E173-V687 HydrophobicContact CB-CG2 3.98Å; A176-V687 HydrophobicContact CB-CG2 3.85Å; V687-N689 WeakPolarHBondContact CG1-O 3.01Å; V687-L701 HydrophobicContact CG1-CD2 4.07Å; V687-Q705 PolarHBondContact O-NE2 3.18Å
688P90.6Very high87.4Confident0 Ų035.2 Ų35.20%019%0.185CC..  trans-79.2-30.9-179.631.5-36.3000113.4Y103 I119 N120 Y122 I697 E698Y103-P688 HydrophobicContact CE1-CB 4.2Å; Y103-P688 HydrophobicContact CE2-CB 4.19Å; Y103-P688 HydrophobicContact CE2-CG 4.32Å; Y103-P688 WeakPolarHBondContact OH-CG 3.48Å; I119-P688 HydrophobicContact CG2-CB 3.69Å; I119-P688 HydrophobicContact CG2-CG 4.18Å; N120-P688 WeakPolarHBondContact O-CG 2.96Å; Y122-P688 HydrophobicContact CD2-CG 4.01Å; Y122-P688 HydrophobicContact CE2-CG 3.67Å; P688-I697 HydrophobicContact CB-CG1 4.32Å; P688-I697 CarbonylContact O-C 3.59Å; P688-I697 WeakPolarHBondContact O-CA 3.02Å; P688-E698 PolarHBondContact O-N 2.7Å
689N88.2Confident87.4Confident0 Ų035.1 Ų35.10%019%0.186CC..  trans-159.4148.8179.662.394.6000111.2V687 S691 K692 K693 L696 E698V687-N689 WeakPolarHBondContact CG1-O 3.01Å; N689-S691 PolarHBondContact O-N 2.86Å; N689-S691 WeakPolarHBondContact OD1-CA 3.41Å; N689-S691 PolarHBondContact OD1-N 2.81Å; N689-S691 PolarHBondContact OD1-OG 3.5Å; N689-K692 PolarHBondContact OD1-N 3.12Å; N689-K693 PolarHBondContact ND2-O 2.81Å; N689-K693 PolarHBondContact OD1-N 3.36Å; N689-L696 HydrophobicContact CB-CD2 4.19Å; N689-L696 HydrophobicContact CB-CG 4.23Å; N689-L696 PolarHBondContact ND2-O 3.18Å; N689-E698 WeakPolarHBondContact CA-OE2 3.34Å; N689-E698 HydrophobicContact CB-CB 4.33Å; N689-E698 HydrophobicContact CB-CG 3.73Å; N689-E698 WeakPolarHBondContact CB-OE1 2.99Å; N689-E698 WeakPolarHBondContact CB-OE2 2.99Å
690E82.1Confident87.4Confident115 Ų11534.3 Ų34.354%0.53720%0.196SC..THydrogen-bonded Turntrans-69-23.6175.4-65.1-159.5142.400112.2R229 K692 E698 L701R229-E690 IonicContact CZ-OE1 2.75Å; R229-E690 IonicContact NH1-OE1 2.72Å; R229-E690 IonicContact NH2-OE1 3.93Å; R229-E690 PolarHBondContact NH2-OE1 2.98Å; E690-K692 PolarHBondContact O-N 2.89Å; E690-K692 VanDerWaalsContact O-N 3.13Å; E690-E698 PolarHBondContact N-OE2 3.03Å; E690-L701 HydrophobicContact CG-CD2 3.98Å
691S81.7Confident87.2Confident50 Ų5034.9 Ų34.935%0.3520%0.198SC..THydrogen-bonded Turntrans-73.50.8-175.984.80000115.9N689 K693N689-S691 PolarHBondContact O-N 2.86Å; N689-S691 WeakPolarHBondContact OD1-CA 3.41Å; N689-S691 PolarHBondContact OD1-N 2.81Å; N689-S691 PolarHBondContact OD1-OG 3.5Å; S691-K693 PolarHBondContact O-N 2.77Å; S691-K693 WeakPolarHBondContact OG-CD 3.45Å; S691-K693 WeakPolarHBondContact OG-CG 3.08Å
692K78.6Confident87.1Confident69 Ų6934.1 Ų34.130%0.319%0.194SC..  trans58.524.4-178.7-55.8172.9-176.3170.90114.8Y122 V228 R229 N231 N689 E690Y122-K692 HydrophobicContact CE1-CB 4.4Å; V228-K692 WeakPolarHBondContact O-CE 3.1Å; V228-K692 PolarHBondContact O-NZ 3.35Å; R229-K692 WeakPolarHBondContact O-CE 3.37Å; N231-K692 PolarHBondContact OD1-NZ 3.35Å; N689-K692 PolarHBondContact OD1-N 3.12Å; E690-K692 PolarHBondContact O-N 2.89Å; E690-K692 VanDerWaalsContact O-N 3.13Å
693K82.6Confident87Confident129 Ų12935 Ų3556%0.56120%0.199SC*.  trans-96.1130.8-175.8-71.5175-171.1167.90112.6N689 S691 L696N689-K693 PolarHBondContact ND2-O 2.81Å; N689-K693 PolarHBondContact OD1-N 3.36Å; S691-K693 PolarHBondContact O-N 2.77Å; S691-K693 WeakPolarHBondContact OG-CD 3.45Å; S691-K693 WeakPolarHBondContact OG-CG 3.08Å; K693-L696 HydrophobicContact CB-CB 4.31Å
694S86.7Confident86.5Confident50 Ų5038.9 Ų38.935%0.3522%0.22SC..THydrogen-bonded Turntrans-64.2138171-168.80000111.4P121 L696P121-S694 WeakPolarHBondContact O-CA 3.11Å; P121-S694 WeakPolarHBondContact O-CB 2.99Å; P121-S694 PolarHBondContact O-OG 3.12Å; S694-L696 VanDerWaalsContact C-N 3.28Å; S694-L696 PolarHBondContact O-N 2.8Å
695G84.3Confident86.3Confident29 Ų2938.7 Ų38.730%0.29922%0.219SC..THydrogen-bonded Turntrans79.4-7.1175.300000116.5Y103 Y104Y103-G695 PolarHBondContact OH-N 2.77Å; Y103-G695 VanDerWaalsContact OH-N 3.14Å; Y104-G695 WeakPolarHBondContact CE1-O 2.99Å
696L88.2Confident86Confident72 Ų7238.9 Ų38.938%0.37722%0.22SC..  trans-90.9141.9168.8-179.364.3000110.3Y103 N689 K693 S694Y103-L696 VanDerWaalsContact CE1-O 3.3Å; Y103-L696 WeakPolarHBondContact CE1-O 3.33Å; Y103-L696 PolarHBondContact OH-O 2.63Å; N689-L696 HydrophobicContact CB-CD2 4.19Å; N689-L696 HydrophobicContact CB-CG 4.23Å; N689-L696 PolarHBondContact ND2-O 3.18Å; K693-L696 HydrophobicContact CB-CB 4.31Å; S694-L696 VanDerWaalsContact C-N 3.28Å; S694-L696 PolarHBondContact O-N 2.8Å
697I89.9Confident85.3Confident17 Ų1742.8 Ų42.89%0.08725%0.245CC..  trans-136.1125.8174-166.5171.9000110.6R100 Y103 Y104 I119 P688 V702R100-I697 HydrophobicContact CB-CD1 4.46Å; R100-I697 HydrophobicContact CG-CG2 4.18Å; Y103-I697 HydrophobicContact CD1-CB 4.06Å; Y103-I697 HydrophobicContact CD1-CD1 4.29Å; Y103-I697 HydrophobicContact CE1-CB 4.08Å; Y104-I697 HydrophobicContact CE1-CG2 3.84Å; I119-I697 HydrophobicContact CD1-CD1 4.47Å; P688-I697 HydrophobicContact CB-CG1 4.32Å; P688-I697 CarbonylContact O-C 3.59Å; P688-I697 WeakPolarHBondContact O-CA 3.02Å; I697-V702 HydrophobicContact CD1-CG2 4.13Å; I697-V702 HydrophobicContact CG1-CG2 3.78Å
698E89.7Confident84.4Confident66 Ų6643.4 Ų43.431%0.30825%0.249SC..  trans-98.4102.8-177.7-75.4166.7-176.900109P688 N689 E690 G700 L701 V702P688-E698 PolarHBondContact O-N 2.7Å; N689-E698 WeakPolarHBondContact CA-OE2 3.34Å; N689-E698 HydrophobicContact CB-CB 4.33Å; N689-E698 HydrophobicContact CB-CG 3.73Å; N689-E698 WeakPolarHBondContact CB-OE1 2.99Å; N689-E698 WeakPolarHBondContact CB-OE2 2.99Å; E690-E698 PolarHBondContact N-OE2 3.03Å; E698-G700 PolarHBondContact O-N 3.12Å; E698-L701 HydrophobicContact CB-CB 4.05Å; E698-L701 PolarHBondContact O-N 2.88Å; E698-L701 VanDerWaalsContact O-N 3.16Å; E698-V702 PolarHBondContact O-N 3.17Å
699A88.8Confident83.7Confident10 Ų1043.8 Ų43.88%0.08325%0.251CS..Hα-helixtrans-57.8-42.8-168.200000114E38 L96 V702 L703E38-A699 WeakPolarHBondContact O-CB 3.35Å; L96-A699 HydrophobicContact CD2-CB 4.12Å; A699-V702 PolarHBondContact O-N 2.73Å; A699-L703 WeakPolarHBondContact O-CB 3.35Å; A699-L703 VanDerWaalsContact O-CG 3.28Å; A699-L703 WeakPolarHBondContact O-CG 3.43Å; A699-L703 PolarHBondContact O-N 2.68Å
700G85.6Confident83Confident52 Ų5243.8 Ų43.854%0.53625%0.251SS..Hα-helixtrans-64.4-38.9178.300000113.5E698 N704E698-G700 PolarHBondContact O-N 3.12Å; G700-N704 WeakPolarHBondContact O-CB 2.94Å; G700-N704 PolarHBondContact O-N 3.3Å
701L86.6Confident82.8Confident31 Ų3138.3 Ų38.316%0.16223%0.226CC..Hα-helixtrans-66.7-41.3176.6177.966.6000111.4V687 E690 E698 Q705V687-L701 HydrophobicContact CG1-CD2 4.07Å; E690-L701 HydrophobicContact CG-CD2 3.98Å; E698-L701 HydrophobicContact CB-CB 4.05Å; E698-L701 PolarHBondContact O-N 2.88Å; E698-L701 VanDerWaalsContact O-N 3.16Å; L701-Q705 WeakPolarHBondContact O-CG 3.33Å; L701-Q705 PolarHBondContact O-N 3.03Å; L701-Q705 VanDerWaalsContact O-N 3.16Å; L701-Q705 PolarHBondContact O-NE2 2.68Å
702V88.4Confident82.5Confident0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-71.9-40.8178.31730000111.6L96 I686 I697 E698 A699 Q705 L706L96-V702 HydrophobicContact CD1-CB 4.19Å; L96-V702 HydrophobicContact CD1-CG1 3.84Å; I686-V702 HydrophobicContact CG2-CG1 4.28Å; I686-V702 HydrophobicContact CG2-CG2 4.16Å; I697-V702 HydrophobicContact CD1-CG2 4.13Å; I697-V702 HydrophobicContact CG1-CG2 3.78Å; E698-V702 PolarHBondContact O-N 3.17Å; A699-V702 PolarHBondContact O-N 2.73Å; V702-Q705 PolarHBondContact O-N 2.81Å; V702-L706 HydrophobicContact CG1-CD1 3.84Å; V702-L706 HydrophobicContact CG1-CG 4.3Å; V702-L706 VanDerWaalsContact O-CG 3.25Å; V702-L706 WeakPolarHBondContact O-CG 2.95Å; V702-L706 PolarHBondContact O-N 3.22Å
703L86Confident82.3Confident30 Ų3034.8 Ų34.816%0.15721%0.205CC..Hα-helixtrans-59.4-48.5173.7-76.8169.3000111.5F40 D92 L96 A699 Q705 L706 T707F40-L703 HydrophobicContact CD2-CD1 3.97Å; F40-L703 HydrophobicContact CD2-CD2 4.27Å; F40-L703 HydrophobicContact CE2-CD1 3.8Å; F40-L703 HydrophobicContact CE2-CD2 3.9Å; D92-L703 HydrophobicContact CB-CD2 4.09Å; L96-L703 HydrophobicContact CB-CD2 4.12Å; L96-L703 HydrophobicContact CD1-CG 4.35Å; L96-L703 HydrophobicContact CD2-CD1 4.04Å; L96-L703 HydrophobicContact CD2-CD2 4.08Å; L96-L703 HydrophobicContact CD2-CG 3.98Å; L96-L703 HydrophobicContact CG-CD2 4.47Å; A699-L703 WeakPolarHBondContact O-CB 3.35Å; A699-L703 VanDerWaalsContact O-CG 3.28Å; A699-L703 WeakPolarHBondContact O-CG 3.43Å; A699-L703 PolarHBondContact O-N 2.68Å; L703-Q705 VanDerWaalsContact C-N 3.32Å; L703-Q705 PolarHBondContact O-N 2.82Å; L703-L706 PolarHBondContact O-N 3.03Å; L703-L706 VanDerWaalsContact O-N 3.13Å; L703-T707 PolarHBondContact O-N 2.74Å; L703-T707 PolarHBondContact O-OG1 3.41Å
704N81.4Confident81.9Confident82 Ų8228.7 Ų28.744%0.43918%0.179SC..Hα-helixtrans-57.5-45.7177.9-170.562.2000111.6G700 T707 C708G700-N704 WeakPolarHBondContact O-CB 2.94Å; G700-N704 PolarHBondContact O-N 3.3Å; N704-T707 PolarHBondContact O-N 3.17Å; N704-C708 WeakPolarHBondContact O-CB 3.09Å; N704-C708 PolarHBondContact O-N 3.3Å; N704-C708 PolarHBondContact O-SG 2.67Å
705Q84.6Confident81.5Confident0 Ų026.3 Ų26.30%016%0.162CC..Hα-helixtrans-61.8-42.3175-77.4170.293.900112.9E173 I686 V687 L701 V702 L703 T707 C708 N709E173-Q705 HydrophobicContact CG-CG 4.33Å; E173-Q705 WeakPolarHBondContact OE1-CG 3.04Å; I686-Q705 HydrophobicContact CD1-CB 3.96Å; V687-Q705 PolarHBondContact O-NE2 3.18Å; L701-Q705 WeakPolarHBondContact O-CG 3.33Å; L701-Q705 PolarHBondContact O-N 3.03Å; L701-Q705 VanDerWaalsContact O-N 3.16Å; L701-Q705 PolarHBondContact O-NE2 2.68Å; V702-Q705 PolarHBondContact O-N 2.81Å; L703-Q705 VanDerWaalsContact C-N 3.32Å; L703-Q705 PolarHBondContact O-N 2.82Å; Q705-T707 PolarHBondContact O-N 2.52Å; Q705-C708 PolarHBondContact O-N 2.78Å; Q705-N709 VanDerWaalsContact O-CB 3.3Å; Q705-N709 WeakPolarHBondContact O-CB 3.16Å; Q705-N709 PolarHBondContact O-N 2.98Å; Q705-N709 PolarHBondContact O-ND2 3.35Å
706L84.1Confident81.1Confident4 Ų429.6 Ų29.62%0.02117%0.165CC..Hα-helixtrans-62.9-43-179.5-73.1165.8000112V95 L99 V702 L703 G710 V711V95-L706 HydrophobicContact CG1-CD1 4.1Å; V95-L706 HydrophobicContact CG1-CD2 4.28Å; L99-L706 HydrophobicContact CD1-CD1 3.99Å; L99-L706 HydrophobicContact CD1-CD2 3.73Å; L99-L706 HydrophobicContact CD1-CG 4.45Å; V702-L706 HydrophobicContact CG1-CD1 3.84Å; V702-L706 HydrophobicContact CG1-CG 4.3Å; V702-L706 VanDerWaalsContact O-CG 3.25Å; V702-L706 WeakPolarHBondContact O-CG 2.95Å; V702-L706 PolarHBondContact O-N 3.22Å; L703-L706 PolarHBondContact O-N 3.03Å; L703-L706 VanDerWaalsContact O-N 3.13Å; L706-G710 PolarHBondContact O-N 2.88Å; L706-V711 HydrophobicContact CD2-CB 4.08Å; L706-V711 HydrophobicContact CD2-CG1 3.96Å; L706-V711 HydrophobicContact CD2-CG2 4.13Å; L706-V711 PolarHBondContact O-N 2.84Å
707T74.1Confident80.4Confident83 Ų8326.4 Ų26.451%0.50915%0.149SC..Hα-helixtrans-65-51.6174.7-55.80000111.2L703 N704 Q705 N709 G710L703-T707 PolarHBondContact O-N 2.74Å; L703-T707 PolarHBondContact O-OG1 3.41Å; N704-T707 PolarHBondContact O-N 3.17Å; Q705-T707 PolarHBondContact O-N 2.52Å; T707-N709 VanDerWaalsContact C-N 3.28Å; T707-N709 PolarHBondContact O-N 3.27Å; T707-G710 PolarHBondContact O-N 2.76Å
708C71.4Confident79.4Confident23 Ų2325.7 Ų25.716%0.15515%0.145CC..Hα-helixtrans-64.1-31-177.6-62.50000112.8Y591 N704 Q705 G710Y591-C708 HydrophobicContact CD2-CB 4.02Å; Y591-C708 WeakPolarHBondContact CD2-O 3.06Å; Y591-C708 HydrophobicContact CE2-CB 4.2Å; Y591-C708 WeakPolarHBondContact CE2-O 3.11Å; Y591-C708 PolarHBondContact O-SG 2.71Å; N704-C708 WeakPolarHBondContact O-CB 3.09Å; N704-C708 PolarHBondContact O-N 3.3Å; N704-C708 PolarHBondContact O-SG 2.67Å; Q705-C708 PolarHBondContact O-N 2.78Å; C708-G710 VanDerWaalsContact C-N 3.31Å; C708-G710 PolarHBondContact O-N 2.95Å
709N76Confident78.4Confident7 Ų725.6 Ų25.64%0.03714%0.142CC..THydrogen-bonded Turntrans-78.9-8.3176.4-78.6-85.9000113.9Q494 F497 R684 Q705 T707 V711Q494-N709 PolarHBondContact NE2-O 2.74Å; F497-N709 WeakPolarHBondContact CE1-O 3.1Å; R684-N709 WeakPolarHBondContact CD-OD1 3.33Å; R684-N709 PolarHBondContact NH1-OD1 3.28Å; Q705-N709 VanDerWaalsContact O-CB 3.3Å; Q705-N709 WeakPolarHBondContact O-CB 3.16Å; Q705-N709 PolarHBondContact O-N 2.98Å; Q705-N709 PolarHBondContact O-ND2 3.35Å; T707-N709 VanDerWaalsContact C-N 3.28Å; T707-N709 PolarHBondContact O-N 3.27Å; N709-V711 HydrophobicContact CB-CG2 3.82Å
710G72.1Confident77.5Confident1 Ų128.6 Ų28.61%0.0115%0.153CC..THydrogen-bonded Turntrans70.630.8-177.300000114.1L706 T707 C708 G714L706-G710 PolarHBondContact O-N 2.88Å; T707-G710 PolarHBondContact O-N 2.76Å; C708-G710 VanDerWaalsContact C-N 3.31Å; C708-G710 PolarHBondContact O-N 2.95Å; G710-G714 PolarHBondContact O-N 2.54Å; G710-G714 VanDerWaalsContact O-N 3.11Å
711V78.1Confident76.9Confident0 Ų026.1 Ų26.10%013%0.127CC..Hα-helixtrans-70.7-37.8-170.9173.60000112.1F115 V117 L706 N709 I715F115-V711 HydrophobicContact CE2-CB 4.49Å; F115-V711 HydrophobicContact CE2-CG1 4.06Å; F115-V711 HydrophobicContact CE2-CG2 4.2Å; F115-V711 HydrophobicContact CZ-CB 4.44Å; F115-V711 HydrophobicContact CZ-CG1 4.11Å; V117-V711 HydrophobicContact CG2-CG1 4.18Å; L706-V711 HydrophobicContact CD2-CB 4.08Å; L706-V711 HydrophobicContact CD2-CG1 3.96Å; L706-V711 HydrophobicContact CD2-CG2 4.13Å; L706-V711 PolarHBondContact O-N 2.84Å; N709-V711 HydrophobicContact CB-CG2 3.82Å; V711-I715 HydrophobicContact CG1-CD1 3.88Å; V711-I715 WeakPolarHBondContact O-CD1 3.37Å; V711-I715 VanDerWaalsContact O-CG1 3.24Å; V711-I715 WeakPolarHBondContact O-CG1 3.02Å; V711-I715 PolarHBondContact O-N 2.55Å; V711-I715 VanDerWaalsContact O-N 3.1Å
712L76.5Confident76.4Confident13 Ų1325.4 Ų25.47%0.06812%0.123CC..Hα-helixtrans-68.7-39.8-178.8-74.6155.5000111.4D92 V95 I715 R716D92-L712 HydrophobicContact CB-CD1 4.32Å; D92-L712 WeakPolarHBondContact OD1-CD1 3.42Å; V95-L712 HydrophobicContact CB-CD2 4.32Å; V95-L712 HydrophobicContact CG2-CD2 3.74Å; L712-I715 PolarHBondContact O-N 2.88Å; L712-R716 WeakPolarHBondContact O-CB 3.17Å; L712-R716 PolarHBondContact O-N 3.35Å
713E74.2Confident75.4Confident32 Ų3226.2 Ų26.215%0.1513%0.129CC..Hα-helixtrans-70.2-43.2-180-65.662.1-128.900110.2F502 F521 L523 I715 R716 I717F502-E713 HydrophobicContact CE1-CB 4.41Å; F502-E713 HydrophobicContact CE2-CB 4.48Å; F502-E713 HydrophobicContact CZ-CB 3.97Å; F521-E713 HydrophobicContact CD1-CB 3.88Å; F521-E713 HydrophobicContact CD1-CG 3.93Å; F521-E713 HydrophobicContact CE1-CB 4.41Å; L523-E713 HydrophobicContact CD1-CB 4.2Å; L523-E713 HydrophobicContact CD1-CG 3.77Å; E713-I715 PolarHBondContact O-N 2.74Å; E713-R716 WeakPolarHBondContact O-CB 2.87Å; E713-R716 PolarHBondContact O-N 2.72Å; E713-R716 VanDerWaalsContact O-N 3.14Å; E713-R716 IonicContact OE1-NH2 3.51Å; E713-I717 PolarHBondContact O-N 2.93Å
714G74.3Confident74.8Confident0 Ų026.2 Ų26.20%013%0.129CC..Hα-helixtrans-58-44.2172.100000113.1G710 C718G710-G714 PolarHBondContact O-N 2.54Å; G710-G714 VanDerWaalsContact O-N 3.11Å; G714-C718 PolarHBondContact O-N 3.4Å; G714-C718 VanDerWaalsContact O-N 3.09Å; G714-C718 PolarHBondContact O-SG 2.84Å
715I77.3Confident74.6Confident0 Ų026.5 Ų26.50%012%0.124CC..Hα-helixtrans-67.6-37.7175-60.6159.8000110.9M84 A85 L90 F115 V711 L712 E713 I717 C718 R719M84-I715 HydrophobicContact CB-CD1 3.89Å; M84-I715 HydrophobicContact CE-CD1 4.11Å; A85-I715 HydrophobicContact CB-CG2 4.45Å; L90-I715 HydrophobicContact CD1-CB 4.21Å; L90-I715 HydrophobicContact CD1-CD1 4.44Å; L90-I715 HydrophobicContact CD1-CG2 3.66Å; L90-I715 HydrophobicContact CD2-CB 4.09Å; L90-I715 HydrophobicContact CD2-CG2 3.78Å; L90-I715 HydrophobicContact CG-CG2 4.39Å; F115-I715 HydrophobicContact CZ-CG1 4.44Å; V711-I715 HydrophobicContact CG1-CD1 3.88Å; V711-I715 WeakPolarHBondContact O-CD1 3.37Å; V711-I715 VanDerWaalsContact O-CG1 3.24Å; V711-I715 WeakPolarHBondContact O-CG1 3.02Å; V711-I715 PolarHBondContact O-N 2.55Å; V711-I715 VanDerWaalsContact O-N 3.1Å; L712-I715 PolarHBondContact O-N 2.88Å; E713-I715 PolarHBondContact O-N 2.74Å; I715-I717 VanDerWaalsContact C-N 3.34Å; I715-I717 PolarHBondContact O-N 3.48Å; I715-C718 PolarHBondContact O-N 2.98Å; I715-R719 WeakPolarHBondContact O-CB 3.28Å; I715-R719 PolarHBondContact O-N 2.73Å
716R75.5Confident74.1Confident99 Ų9927 Ų2737%0.37413%0.126SC..Hα-helixtrans-60.6-41.5178.3-164.9-177.3-57.2177.55.7111.7L90 L712 E713 R719 K720L90-R716 HydrophobicContact CD2-CB 4.14Å; L712-R716 WeakPolarHBondContact O-CB 3.17Å; L712-R716 PolarHBondContact O-N 3.35Å; E713-R716 WeakPolarHBondContact O-CB 2.87Å; E713-R716 PolarHBondContact O-N 2.72Å; E713-R716 VanDerWaalsContact O-N 3.14Å; E713-R716 IonicContact OE1-NH2 3.51Å; R716-R719 PolarHBondContact O-N 3.01Å; R716-K720 WeakPolarHBondContact O-CB 3.2Å; R716-K720 PolarHBondContact O-N 2.95Å
717I73.2Confident73.6Confident5 Ų527.8 Ų27.83%0.02613%0.132CC..Hα-helixtrans-68.5-47175-68.9158.9000110.9F502 F521 E713 I715 R719 K720 G721F502-I717 HydrophobicContact CB-CD1 3.84Å; F502-I717 HydrophobicContact CD1-CD1 3.11Å; F502-I717 HydrophobicContact CE1-CD1 3.83Å; F502-I717 HydrophobicContact CG-CD1 3.67Å; F521-I717 HydrophobicContact CD2-CD1 4.17Å; F521-I717 HydrophobicContact CE1-CD1 3.98Å; F521-I717 HydrophobicContact CE1-CG1 3.87Å; F521-I717 HydrophobicContact CE2-CD1 3.58Å; F521-I717 HydrophobicContact CE2-CG1 3.78Å; F521-I717 HydrophobicContact CZ-CD1 3.49Å; F521-I717 VanDerWaalsContact CZ-CD1 3.49Å; F521-I717 HydrophobicContact CZ-CG1 3.25Å; E713-I717 PolarHBondContact O-N 2.93Å; I715-I717 VanDerWaalsContact C-N 3.34Å; I715-I717 PolarHBondContact O-N 3.48Å; I717-R719 PolarHBondContact O-N 3Å; I717-R719 VanDerWaalsContact O-N 3.08Å; I717-K720 PolarHBondContact O-N 3.02Å; I717-G721 WeakPolarHBondContact O-CA 3.16Å; I717-G721 PolarHBondContact O-N 2.79Å
718C69.2Low73.9Confident2 Ų224.3 Ų24.31%0.01411%0.109CC..Hα-helixtrans-61.7-20.5178.4-630000113.6L114 G714 I715L114-C718 PolarHBondContact N-SG 3.36Å; G714-C718 PolarHBondContact O-N 3.4Å; G714-C718 VanDerWaalsContact O-N 3.09Å; G714-C718 PolarHBondContact O-SG 2.84Å; I715-C718 PolarHBondContact O-N 2.98Å
719R69.4Low74Confident64 Ų6428 Ų2824%0.24213%0.128CC..Hα-helixtrans-93-36.2175.4177.7173.7169.1177.6-3.1114.1L87 T88 I715 R716 I717 L1482L87-R719 PolarHBondContact O-NH1 2.69Å; T88-R719 PolarHBondContact O-NH1 2.75Å; T88-R719 PolarHBondContact O-NH2 2.72Å; I715-R719 WeakPolarHBondContact O-CB 3.28Å; I715-R719 PolarHBondContact O-N 2.73Å; R716-R719 PolarHBondContact O-N 3.01Å; I717-R719 PolarHBondContact O-N 3Å; I717-R719 VanDerWaalsContact O-N 3.08Å; R719-L1482 VanDerWaalsContact NH2-CD1 3.32Å
720K70.5Confident74Confident72 Ų7231.2 Ų31.231%0.31314%0.143SC..Hα-helixtrans-82.5-42.3178.2-79.9-160.9173.2-162.20112.6W516 I519 R716 I717 E1481W516-K720 HydrophobicContact CH2-CB 3.75Å; W516-K720 HydrophobicContact CZ3-CB 3.98Å; I519-K720 HydrophobicContact CD1-CD 3.65Å; R716-K720 WeakPolarHBondContact O-CB 3.2Å; R716-K720 PolarHBondContact O-N 2.95Å; I717-K720 PolarHBondContact O-N 3.02Å; K720-E1481 WeakPolarHBondContact CE-OE2 3.45Å; K720-E1481 IonicContact NZ-OE1 3.53Å; K720-E1481 PolarHBondContact NZ-OE1 3.04Å; K720-E1481 IonicContact NZ-OE2 3.86Å; K720-E1481 PolarHBondContact NZ-OE2 3.13Å
721G72.4Confident74.7Confident0 Ų031.2 Ų31.20%014%0.142CC..SBendtrans-82.8-164.2-178.700000113.3I717 P723I717-G721 WeakPolarHBondContact O-CA 3.16Å; I717-G721 PolarHBondContact O-N 2.79Å; G721-P723 WeakPolarHBondContact O-CD 3.35Å
722F76.6Confident75Confident16 Ų1631.4 Ų31.47%0.0714%0.144CC..  trans-125.975.6-172.1-59.4-91.9000109.6Y509 I514 N724 Q772 F805 F806 K807Y509-F722 PolarHBondContact OH-N 3.2Å; Y509-F722 PolarHBondContact OH-O 2.68Å; I514-F722 HydrophobicContact CG2-CE2 4.4Å; F722-N724 PolarHBondContact O-N 3.29Å; F722-N724 VanDerWaalsContact O-N 3.07Å; F722-Q772 HydrophobicContact CD1-CG 4.38Å; F722-Q772 HydrophobicContact CD2-CG 4.39Å; F722-Q772 HydrophobicContact CE1-CB 4.4Å; F722-Q772 HydrophobicContact CE1-CG 3.71Å; F722-Q772 HydrophobicContact CE2-CG 3.72Å; F722-Q772 HydrophobicContact CZ-CB 4.34Å; F722-Q772 HydrophobicContact CZ-CG 3.34Å; F722-F805 HydrophobicContact CB-CB 3.62Å; F722-F805 HydrophobicContact CB-CD1 4.4Å; F722-F805 HydrophobicContact CB-CG 4.48Å; F722-F805 HydrophobicContact CG-CB 4.09Å; F722-F806 CarbonylContact C-O 3.46Å; F722-F806 VanDerWaalsContact C-O 3.24Å; F722-F806 VanDerWaalsContact CA-O 3.29Å; F722-F806 WeakPolarHBondContact CA-O 3.5Å; F722-K807 HydrophobicContact CD1-CG 3.84Å; F722-K807 HydrophobicContact CE1-CD 4.46Å; F722-K807 HydrophobicContact CE1-CG 3.85Å
723P66.8Low75.2Confident18 Ų1838.8 Ų38.812%0.11718%0.178CC..  trans-68.7-8.7-167.828.3-37.1000114.8L114 G721 A808L114-P723 HydrophobicContact CD1-CB 4.14Å; L114-P723 HydrophobicContact CD2-CB 3.96Å; L114-P723 HydrophobicContact CG-CB 4.02Å; G721-P723 WeakPolarHBondContact O-CD 3.35Å; P723-A808 HydrophobicContact CG-CB 4.24Å
724N72.5Confident75.8Confident30 Ų3040.2 Ų40.216%0.1618%0.182CC..EExtended strand (participates in β ladder)trans-108.1130.9177-57.2-55.5000109F722 F805 F806 K807 M811F722-N724 PolarHBondContact O-N 3.29Å; F722-N724 VanDerWaalsContact O-N 3.07Å; N724-F805 CarbonylContact O-C 3.58Å; N724-F805 WeakPolarHBondContact O-CA 2.83Å; N724-F806 HydrophobicContact CB-CB 4.11Å; N724-F806 PolarHBondContact N-O 2.91Å; N724-F806 PolarHBondContact O-N 3.11Å; N724-K807 PolarHBondContact ND2-O 3.23Å; N724-M811 HydrophobicContact CB-CB 4.34Å; N724-M811 HydrophobicContact CB-CE 4.16Å; N724-M811 HydrophobicContact CB-SD 4.04Å; N724-M811 WeakPolarHBondContact OD1-CE 3.31Å
725R77.3Confident76.4Confident88 Ų8840.2 Ų40.233%0.33218%0.182SC..EExtended strand (participates in β ladder)trans-138.9145.5179.161.4-179.9175.9-113.38.8113.1E505 L508 W803 V804 F805E505-R725 IonicContact OE1-NH1 3.74Å; E505-R725 IonicContact OE2-CZ 2.65Å; E505-R725 IonicContact OE2-NH1 3.47Å; E505-R725 PolarHBondContact OE2-NH1 3Å; L508-R725 VanDerWaalsContact CD2-CZ 3.5Å; L508-R725 VanDerWaalsContact CD2-NH1 3.26Å; R725-W803 HydrophobicContact CB-CE3 3.93Å; R725-W803 HydrophobicContact CB-CZ3 4.45Å; R725-W803 HydrophobicContact CG-CE3 3.88Å; R725-W803 HydrophobicContact CG-CZ3 3.97Å; R725-V804 CarbonylContact C-O 3.6Å; R725-V804 VanDerWaalsContact CA-O 3.23Å; R725-V804 WeakPolarHBondContact CA-O 3.05Å; R725-F805 HydrophobicContact CB-CD1 3.94Å; R725-F805 HydrophobicContact CB-CE1 4.04Å
726F74.6Confident76.9Confident10 Ų1041.6 Ų41.64%0.04419%0.192CC..EExtended strand (participates in β ladder)trans-132.3147.9176.8-79-73.7000110.5E730 F731 Y735 W803 V804 F806 M811F726-E730 HydrophobicContact CD1-CG 4.26Å; F726-E730 WeakPolarHBondContact CD1-OE2 3.44Å; F726-E730 WeakPolarHBondContact CE1-OE1 3.14Å; F726-F731 HydrophobicContact CB-CB 4.02Å; F726-F731 HydrophobicContact CB-CD2 4.17Å; F726-F731 HydrophobicContact CD2-CD2 4.1Å; F726-F731 HydrophobicContact CG-CD2 4.26Å; F726-Y735 HydrophobicContact CD2-CE2 4.28Å; F726-Y735 AromaticContact CE2-CE2 3.99Å; F726-Y735 HydrophobicContact CE2-CE2 3.99Å; F726-Y735 VanDerWaalsContact CE2-OH 3.28Å; F726-Y735 WeakPolarHBondContact CE2-OH 3.08Å; F726-Y735 HydrophobicContact CZ-CE2 4.13Å; F726-Y735 VanDerWaalsContact CZ-OH 3.26Å; F726-Y735 WeakPolarHBondContact CZ-OH 3.49Å; F726-W803 VanDerWaalsContact C-CE3 3.42Å; F726-W803 CarbonylContact O-C 3.53Å; F726-W803 WeakPolarHBondContact O-CA 3.3Å; F726-V804 PolarHBondContact N-O 3.43Å; F726-V804 PolarHBondContact O-N 2.85Å; F726-F806 HydrophobicContact CD2-CD2 4.22Å; F726-F806 AromaticContact CD2-CE2 3.98Å; F726-F806 HydrophobicContact CD2-CE2 3.98Å; F726-M811 HydrophobicContact CE2-CG 3.98Å; F726-M811 HydrophobicContact CE2-SD 3.57Å; F726-M811 VanDerWaalsContact CE2-SD 3.57Å; F726-M811 HydrophobicContact CZ-CG 4.39Å; F726-M811 HydrophobicContact CZ-SD 3.8Å
727S74.4Confident77.4Confident21 Ų2139.1 Ų39.115%0.14719%0.186CC..EExtended strand (participates in β ladder)trans-73.1154166.271.80000110.9D729 E730 F731 V802S727-D729 PolarHBondContact O-N 3.46Å; S727-E730 PolarHBondContact O-N 3.17Å; S727-E730 VanDerWaalsContact OG-CB 3.23Å; S727-E730 WeakPolarHBondContact OG-CB 3.08Å; S727-E730 PolarHBondContact OG-N 2.87Å; S727-E730 VanDerWaalsContact OG-N 3.09Å; S727-F731 VanDerWaalsContact O-CB 3.31Å; S727-F731 WeakPolarHBondContact O-CB 3.42Å; S727-F731 PolarHBondContact O-N 2.85Å; S727-V802 CarbonylContact C-O 3.54Å
728F79Confident78.1Confident9 Ų940.5 Ų40.54%0.03919%0.193CC..Hα-helixtrans-59.8-34.7175.2-76.6-41000113.1A732 K750 T753 I773 V802 V804F728-A732 WeakPolarHBondContact O-CB 3.46Å; F728-A732 PolarHBondContact O-N 2.8Å; F728-K750 HydrophobicContact CD2-CB 3.56Å; F728-K750 HydrophobicContact CD2-CD 4.11Å; F728-K750 HydrophobicContact CD2-CG 3.85Å; F728-K750 HydrophobicContact CE1-CG 4.19Å; F728-K750 HydrophobicContact CE2-CB 3.68Å; F728-K750 HydrophobicContact CE2-CD 3.34Å; F728-K750 HydrophobicContact CE2-CG 3.38Å; F728-K750 HydrophobicContact CG-CB 4.1Å; F728-K750 HydrophobicContact CZ-CB 4.25Å; F728-K750 HydrophobicContact CZ-CD 3.8Å; F728-K750 HydrophobicContact CZ-CG 3.62Å; F728-T753 HydrophobicContact CD1-CG2 3.62Å; F728-T753 HydrophobicContact CE1-CG2 3.97Å; F728-T753 PolarHBondContact O-OG1 2.76Å; F728-I773 HydrophobicContact CE1-CG2 3.97Å; F728-I773 HydrophobicContact CZ-CG2 3.6Å; F728-V802 HydrophobicContact CD2-CB 3.56Å; F728-V802 HydrophobicContact CD2-CG1 3.46Å; F728-V802 VanDerWaalsContact CD2-CG1 3.46Å; F728-V802 WeakPolarHBondContact CD2-O 3.06Å; F728-V802 HydrophobicContact CE2-CB 3.87Å; F728-V802 HydrophobicContact CE2-CG1 3.21Å; F728-V802 WeakPolarHBondContact CG-O 3.32Å; F728-V802 HydrophobicContact CZ-CG1 4.31Å; F728-V802 PolarHBondContact N-O 3.42Å; F728-V804 HydrophobicContact CD1-CG2 3.55Å; F728-V804 HydrophobicContact CE1-CG2 3.25Å; F728-V804 HydrophobicContact CZ-CG2 4.28Å
729D74.9Confident78.9Confident101 Ų10141.9 Ų41.954%0.5420%0.199SC..Hα-helixtrans-69.4-46.4178.6-71.3-41.1000110.6S727 Q733 S749S727-D729 PolarHBondContact O-N 3.46Å; D729-Q733 VanDerWaalsContact O-CB 3.23Å; D729-Q733 WeakPolarHBondContact O-CB 3.49Å; D729-Q733 PolarHBondContact O-N 3.43Å; D729-S749 WeakPolarHBondContact OD1-CB 3.4Å; D729-S749 PolarHBondContact OD1-OG 2.9Å
730E76.4Confident79.5Confident75 Ų7542 Ų4235%0.3521%0.213SC..Hα-helixtrans-66.8-47.4176.7-167.9-164.5164.900111.8F726 S727 A732 Q733 R734F726-E730 HydrophobicContact CD1-CG 4.26Å; F726-E730 WeakPolarHBondContact CD1-OE2 3.44Å; F726-E730 WeakPolarHBondContact CE1-OE1 3.14Å; S727-E730 PolarHBondContact O-N 3.17Å; S727-E730 VanDerWaalsContact OG-CB 3.23Å; S727-E730 WeakPolarHBondContact OG-CB 3.08Å; S727-E730 PolarHBondContact OG-N 2.87Å; S727-E730 VanDerWaalsContact OG-N 3.09Å; E730-A732 VanDerWaalsContact C-N 3.33Å; E730-A732 PolarHBondContact O-N 3.45Å; E730-Q733 PolarHBondContact O-N 3.43Å; E730-R734 WeakPolarHBondContact O-CB 3.37Å; E730-R734 PolarHBondContact O-N 2.86Å; E730-R734 IonicContact OE1-CZ 3.37Å; E730-R734 IonicContact OE1-NH1 3.48Å; E730-R734 PolarHBondContact OE1-NH1 2.56Å
731F85Confident79.9Confident0 Ų045.1 Ų45.10%023%0.228CC..Hα-helixtrans-59.5-45.8178.7-170.9-81.2000111F726 S727 R734 Y735 T753 I756 L757 F806 L814F726-F731 HydrophobicContact CB-CB 4.02Å; F726-F731 HydrophobicContact CB-CD2 4.17Å; F726-F731 HydrophobicContact CD2-CD2 4.1Å; F726-F731 HydrophobicContact CG-CD2 4.26Å; S727-F731 VanDerWaalsContact O-CB 3.31Å; S727-F731 WeakPolarHBondContact O-CB 3.42Å; S727-F731 PolarHBondContact O-N 2.85Å; F731-R734 PolarHBondContact O-N 3.03Å; F731-Y735 HydrophobicContact CB-CD2 4.4Å; F731-Y735 AromaticContact CD1-CD2 3.98Å; F731-Y735 HydrophobicContact CD1-CD2 3.98Å; F731-Y735 AromaticContact CD2-CD2 3.29Å; F731-Y735 HydrophobicContact CD2-CD2 3.29Å; F731-Y735 AromaticContact CD2-CE2 3.43Å; F731-Y735 HydrophobicContact CD2-CE2 3.43Å; F731-Y735 VanDerWaalsContact CD2-CE2 3.43Å; F731-Y735 HydrophobicContact CD2-CG 4.41Å; F731-Y735 AromaticContact CE1-CD2 3.98Å; F731-Y735 HydrophobicContact CE1-CD2 3.98Å; F731-Y735 HydrophobicContact CE1-CG 4.32Å; F731-Y735 AromaticContact CE2-CD2 3.25Å; F731-Y735 HydrophobicContact CE2-CD2 3.25Å; F731-Y735 AromaticContact CE2-CE2 3.47Å; F731-Y735 HydrophobicContact CE2-CE2 3.47Å; F731-Y735 VanDerWaalsContact CE2-CE2 3.47Å; F731-Y735 HydrophobicContact CE2-CG 4.02Å; F731-Y735 AromaticContact CG-CD2 3.66Å; F731-Y735 HydrophobicContact CG-CD2 3.66Å; F731-Y735 HydrophobicContact CG-CE2 4.18Å; F731-Y735 AromaticContact CZ-CD2 3.62Å; F731-Y735 HydrophobicContact CZ-CD2 3.62Å; F731-Y735 HydrophobicContact CZ-CE2 4.27Å; F731-Y735 AromaticContact CZ-CG 3.98Å; F731-Y735 HydrophobicContact CZ-CG 3.98Å; F731-Y735 WeakPolarHBondContact O-CD2 3.39Å; F731-Y735 PolarHBondContact O-N 3.06Å; F731-T753 HydrophobicContact CB-CG2 4.21Å; F731-T753 HydrophobicContact CD1-CG2 3.32Å; F731-T753 HydrophobicContact CE1-CG2 3.89Å; F731-T753 HydrophobicContact CG-CG2 3.85Å; F731-I756 HydrophobicContact CE1-CB 4.28Å; F731-I756 HydrophobicContact CE1-CG2 3.9Å; F731-I756 HydrophobicContact CZ-CG2 4.46Å; F731-L757 HydrophobicContact CE1-CD2 4.25Å; F731-L757 HydrophobicContact CE1-CG 4.12Å; F731-L757 HydrophobicContact CE2-CD2 4.47Å; F731-L757 HydrophobicContact CZ-CD2 3.74Å; F731-L757 HydrophobicContact CZ-CG 4.13Å; F731-F806 AromaticContact CD2-CE2 3.88Å; F731-F806 HydrophobicContact CD2-CE2 3.88Å; F731-F806 AromaticContact CD2-CZ 3.83Å; F731-F806 HydrophobicContact CD2-CZ 3.83Å; F731-F806 HydrophobicContact CE2-CE1 4.23Å; F731-F806 AromaticContact CE2-CE2 3.73Å; F731-F806 HydrophobicContact CE2-CE2 3.73Å; F731-F806 AromaticContact CE2-CZ 3.25Å; F731-F806 HydrophobicContact CE2-CZ 3.25Å; F731-F806 AromaticContact CZ-CZ 3.94Å; F731-F806 HydrophobicContact CZ-CZ 3.94Å; F731-L814 HydrophobicContact CE2-CD1 4.28Å
732A84.5Confident80.2Confident4 Ų447.7 Ų47.73%0.03324%0.241CC..Hα-helixtrans-62.3-48.1175.200000111.1F728 E730 R734 S736 K752 T753F728-A732 WeakPolarHBondContact O-CB 3.46Å; F728-A732 PolarHBondContact O-N 2.8Å; E730-A732 VanDerWaalsContact C-N 3.33Å; E730-A732 PolarHBondContact O-N 3.45Å; A732-R734 VanDerWaalsContact C-N 3.29Å; A732-R734 PolarHBondContact O-N 2.65Å; A732-S736 WeakPolarHBondContact O-CB 3.32Å; A732-S736 PolarHBondContact O-N 2.69Å; A732-S736 VanDerWaalsContact O-N 3.11Å; A732-S736 PolarHBondContact O-OG 3.45Å; A732-K752 HydrophobicContact CB-CB 3.97Å; A732-K752 HydrophobicContact CB-CD 4.18Å; A732-T753 PolarHBondContact N-OG1 3.05Å
733Q81.6Confident80.3Confident169 Ų16947.1 Ų47.179%0.7924%0.238SC*.Hα-helixtrans-60.4-38.5-179.6-178.3175.1-4.200112.6D729 E730D729-Q733 VanDerWaalsContact O-CB 3.23Å; D729-Q733 WeakPolarHBondContact O-CB 3.49Å; D729-Q733 PolarHBondContact O-N 3.43Å; E730-Q733 PolarHBondContact O-N 3.43Å
734R85.5Confident80.7Confident61 Ų6149.3 Ų49.323%0.2327%0.265CS..Hα-helixtrans-81.7-53.7-174.1-168.8167.1179.8152.7-4.2112.1E730 F731 A732 E815 H818E730-R734 WeakPolarHBondContact O-CB 3.37Å; E730-R734 PolarHBondContact O-N 2.86Å; E730-R734 IonicContact OE1-CZ 3.37Å; E730-R734 IonicContact OE1-NH1 3.48Å; E730-R734 PolarHBondContact OE1-NH1 2.56Å; F731-R734 PolarHBondContact O-N 3.03Å; A732-R734 VanDerWaalsContact C-N 3.29Å; A732-R734 PolarHBondContact O-N 2.65Å; R734-E815 IonicContact CZ-OE1 2.9Å; R734-E815 IonicContact NE-OE1 2.67Å; R734-E815 PolarHBondContact NE-OE1 2.79Å; R734-E815 IonicContact NH2-OE1 3.15Å; R734-E815 PolarHBondContact NH2-OE1 3.42Å; R734-E815 IonicContact NH2-OE2 2.7Å; R734-H818 PolarHBondContact O-CD2 3.48Å; R734-H818 VanDerWaalsContact O-CD2 3.25Å; R734-H818 PolarHBondContact O-NE2 3.47Å
735Y88Confident81Confident0 Ų054.8 Ų54.80%029%0.287CS..Hα-helixtrans-93.10.6-172.9-55.9-76.5000114.4F726 F731 I737 L738 L814 E815 H818F726-Y735 HydrophobicContact CD2-CE2 4.28Å; F726-Y735 AromaticContact CE2-CE2 3.99Å; F726-Y735 HydrophobicContact CE2-CE2 3.99Å; F726-Y735 VanDerWaalsContact CE2-OH 3.28Å; F726-Y735 WeakPolarHBondContact CE2-OH 3.08Å; F726-Y735 HydrophobicContact CZ-CE2 4.13Å; F726-Y735 VanDerWaalsContact CZ-OH 3.26Å; F726-Y735 WeakPolarHBondContact CZ-OH 3.49Å; F731-Y735 HydrophobicContact CB-CD2 4.4Å; F731-Y735 AromaticContact CD1-CD2 3.98Å; F731-Y735 HydrophobicContact CD1-CD2 3.98Å; F731-Y735 AromaticContact CD2-CD2 3.29Å; F731-Y735 HydrophobicContact CD2-CD2 3.29Å; F731-Y735 AromaticContact CD2-CE2 3.43Å; F731-Y735 HydrophobicContact CD2-CE2 3.43Å; F731-Y735 VanDerWaalsContact CD2-CE2 3.43Å; F731-Y735 HydrophobicContact CD2-CG 4.41Å; F731-Y735 AromaticContact CE1-CD2 3.98Å; F731-Y735 HydrophobicContact CE1-CD2 3.98Å; F731-Y735 HydrophobicContact CE1-CG 4.32Å; F731-Y735 AromaticContact CE2-CD2 3.25Å; F731-Y735 HydrophobicContact CE2-CD2 3.25Å; F731-Y735 AromaticContact CE2-CE2 3.47Å; F731-Y735 HydrophobicContact CE2-CE2 3.47Å; F731-Y735 VanDerWaalsContact CE2-CE2 3.47Å; F731-Y735 HydrophobicContact CE2-CG 4.02Å; F731-Y735 AromaticContact CG-CD2 3.66Å; F731-Y735 HydrophobicContact CG-CD2 3.66Å; F731-Y735 HydrophobicContact CG-CE2 4.18Å; F731-Y735 AromaticContact CZ-CD2 3.62Å; F731-Y735 HydrophobicContact CZ-CD2 3.62Å; F731-Y735 HydrophobicContact CZ-CE2 4.27Å; F731-Y735 AromaticContact CZ-CG 3.98Å; F731-Y735 HydrophobicContact CZ-CG 3.98Å; F731-Y735 WeakPolarHBondContact O-CD2 3.39Å; F731-Y735 PolarHBondContact O-N 3.06Å; Y735-I737 PolarHBondContact O-N 3.19Å; Y735-I737 VanDerWaalsContact O-N 3.13Å; Y735-L738 HydrophobicContact CD1-CD1 3.98Å; Y735-L738 WeakPolarHBondContact O-CB 3.36Å; Y735-L738 PolarHBondContact O-N 2.77Å; Y735-L814 HydrophobicContact CD1-CB 4.44Å; Y735-L814 HydrophobicContact CE1-CB 3.91Å; Y735-E815 HydrophobicContact CE1-CG 4.32Å; Y735-E815 PolarHBondContact OH-OE1 2.83Å; Y735-H818 HydrophobicContact CD1-CB 4.24Å; Y735-H818 HydrophobicContact CE1-CB 4.31Å
736S87Confident81.2Confident29 Ų2953.3 Ų53.320%0.20329%0.285CS..G310 helixtrans-54.1-30171.2-77.70000113.1A732 L738 K739 A740 A743A732-S736 WeakPolarHBondContact O-CB 3.32Å; A732-S736 PolarHBondContact O-N 2.69Å; A732-S736 VanDerWaalsContact O-N 3.11Å; A732-S736 PolarHBondContact O-OG 3.45Å; S736-L738 PolarHBondContact O-N 2.86Å; S736-K739 CarbonylContact O-C 3.55Å; S736-K739 VanDerWaalsContact O-C 3.26Å; S736-K739 PolarHBondContact O-N 2.72Å; S736-A740 WeakPolarHBondContact O-CA 3.44Å; S736-A740 PolarHBondContact O-N 2.82Å; S736-A743 WeakPolarHBondContact OG-CB 3.22Å
737I87.1Confident81.1Confident48 Ų4862.5 Ų62.525%0.24633%0.325CS..G310 helixtrans-62.5-27.4177.6-172.6168.2000113Y735 K739 A821 M822 M825Y735-I737 PolarHBondContact O-N 3.19Å; Y735-I737 VanDerWaalsContact O-N 3.13Å; I737-K739 VanDerWaalsContact C-N 3.35Å; I737-A821 HydrophobicContact CD1-CB 4.11Å; I737-A821 HydrophobicContact CG1-CB 4.07Å; I737-M822 HydrophobicContact CD1-CG 3.95Å; I737-M822 HydrophobicContact CD1-SD 3.55Å; I737-M822 VanDerWaalsContact CD1-SD 3.55Å; I737-M825 HydrophobicContact CD1-SD 3.64Å
738L86.9Confident81.1Confident33 Ų3364 Ų6417%0.17334%0.336CS..G310 helixtrans-69.4-34178.1-60.7-177.3000112.2Y735 S736 L760 M817 H818Y735-L738 HydrophobicContact CD1-CD1 3.98Å; Y735-L738 WeakPolarHBondContact O-CB 3.36Å; Y735-L738 PolarHBondContact O-N 2.77Å; S736-L738 PolarHBondContact O-N 2.86Å; L738-L760 HydrophobicContact CD1-CD1 4.32Å; L738-L760 HydrophobicContact CD1-CD2 4.46Å; L738-M817 HydrophobicContact CD2-CB 3.88Å; L738-H818 HydrophobicContact CD2-CB 4.38Å
739K87.5Confident80.9Confident32 Ų3264.9 Ų64.914%0.13934%0.343CS..G310 helixtrans-144.459.3-171.1-66.8-62.7-173.7149.90110.5S736 I737 E741 E742 A743 I756 S759 D763S736-K739 CarbonylContact O-C 3.55Å; S736-K739 VanDerWaalsContact O-C 3.26Å; S736-K739 PolarHBondContact O-N 2.72Å; I737-K739 VanDerWaalsContact C-N 3.35Å; K739-E741 VanDerWaalsContact C-N 3.3Å; K739-E741 PolarHBondContact O-N 2.93Å; K739-E742 WeakPolarHBondContact CD-OE1 3.27Å; K739-E742 PolarHBondContact O-N 2.74Å; K739-A743 WeakPolarHBondContact O-CB 3.34Å; K739-A743 PolarHBondContact O-N 3.02Å; K739-I756 HydrophobicContact CB-CG1 4.29Å; K739-S759 WeakPolarHBondContact CD-OG 2.97Å; K739-S759 WeakPolarHBondContact CE-OG 3.46Å; K739-S759 PolarHBondContact NZ-OG 3.22Å; K739-D763 WeakPolarHBondContact CE-OD2 3.19Å; K739-D763 IonicContact NZ-OD1 3.17Å; K739-D763 PolarHBondContact NZ-OD1 3.48Å; K739-D763 VanDerWaalsContact NZ-OD1 3.12Å; K739-D763 IonicContact NZ-OD2 2.57Å; K739-D763 PolarHBondContact NZ-OD2 3.03Å
740A82.1Confident81Confident65 Ų6563.7 Ų63.754%0.53733%0.333SS..Hα-helixtrans-66.3-30.3-169.100000113.3S736 G744S736-A740 WeakPolarHBondContact O-CA 3.44Å; S736-A740 PolarHBondContact O-N 2.82Å; A740-G744 PolarHBondContact O-N 3.08Å
741E78.8Confident81.2Confident138 Ų13864.8 Ų64.865%0.64534%0.338SS*.Hα-helixtrans-67.9-48.2176.5-86.5-154.9-147.200112.5K739 G744 K745K739-E741 VanDerWaalsContact C-N 3.3Å; K739-E741 PolarHBondContact O-N 2.93Å; E741-G744 PolarHBondContact O-N 3.4Å; E741-K745 WeakPolarHBondContact O-CD 2.87Å; E741-K745 VanDerWaalsContact O-CE 3.28Å; E741-K745 WeakPolarHBondContact O-CE 3.31Å; E741-K745 WeakPolarHBondContact O-CG 3.22Å; E741-K745 PolarHBondContact O-N 3.38Å; E741-K745 IonicContact OE2-NZ 2.67Å; E741-K745 PolarHBondContact OE2-NZ 3.02Å
742E78.2Confident81.2Confident55 Ų5567.6 Ų67.626%0.25735%0.35SS..Hα-helixtrans-68.6-41.3179-58.398.3127.100111.3K739 G744 K745 A755 S759K739-E742 WeakPolarHBondContact CD-OE1 3.27Å; K739-E742 PolarHBondContact O-N 2.74Å; E742-G744 VanDerWaalsContact C-N 3.32Å; E742-G744 PolarHBondContact O-N 2.8Å; E742-K745 PolarHBondContact O-N 3.24Å; E742-A755 HydrophobicContact CB-CB 4.33Å; E742-S759 VanDerWaalsContact OE1-CB 3.31Å; E742-S759 WeakPolarHBondContact OE1-CB 3.05Å; E742-S759 PolarHBondContact OE1-OG 2.93Å
743A77.8Confident81.2Confident3 Ų367.4 Ų67.43%0.02535%0.349CS..Hα-helixtrans-66.6-31.9175.400000113S736 K739 K752 I756S736-A743 WeakPolarHBondContact OG-CB 3.22Å; K739-A743 WeakPolarHBondContact O-CB 3.34Å; K739-A743 PolarHBondContact O-N 3.02Å; A743-K752 VanDerWaalsContact O-CE 3.24Å; A743-K752 WeakPolarHBondContact O-CE 3.35Å; A743-K752 WeakPolarHBondContact O-CG 3Å; A743-I756 HydrophobicContact CB-CD1 4.11Å; A743-I756 HydrophobicContact CB-CG1 4.23Å
744G76.7Confident81.3Confident65 Ų6564.2 Ų64.267%0.6733%0.333SS*.Hα-helixtrans-73.7-27.8177.400000114.2A740 E741 E742 L746A740-G744 PolarHBondContact O-N 3.08Å; E741-G744 PolarHBondContact O-N 3.4Å; E742-G744 VanDerWaalsContact C-N 3.32Å; E742-G744 PolarHBondContact O-N 2.8Å; G744-L746 VanDerWaalsContact C-N 3.3Å; G744-L746 PolarHBondContact O-N 2.71Å
745K78.9Confident81.3Confident144 Ų14462.2 Ų62.263%0.62633%0.329SS*.Hα-helixtrans-74.2-16.4-179.9-71.3157-163.5166.50113.4E741 E742E741-K745 WeakPolarHBondContact O-CD 2.87Å; E741-K745 VanDerWaalsContact O-CE 3.28Å; E741-K745 WeakPolarHBondContact O-CE 3.31Å; E741-K745 WeakPolarHBondContact O-CG 3.22Å; E741-K745 PolarHBondContact O-N 3.38Å; E741-K745 IonicContact OE2-NZ 2.67Å; E741-K745 PolarHBondContact OE2-NZ 3.02Å; E742-K745 PolarHBondContact O-N 3.24Å
746L79.5Confident81.2Confident57 Ų5762.2 Ų62.230%0.29833%0.329SS..  trans-116.3144.5-170.5-64.6167.2000112G744 E751 K752 A755G744-L746 VanDerWaalsContact C-N 3.3Å; G744-L746 PolarHBondContact O-N 2.71Å; L746-E751 HydrophobicContact CB-CB 4.2Å; L746-E751 HydrophobicContact CD1-CB 4.11Å; L746-E751 HydrophobicContact CD2-CB 4.26Å; L746-E751 HydrophobicContact CG-CB 4.42Å; L746-K752 HydrophobicContact CB-CG 3.98Å; L746-K752 WeakPolarHBondContact O-CE 3.45Å; L746-A755 HydrophobicContact CD1-CB 3.45Å; L746-A755 VanDerWaalsContact CD1-CB 3.45Å
747K73.5Confident81.2Confident203 Ų20360.9 Ų60.988%0.88332%0.319SS*.SBendtrans-94.2-41-178.9-70.4-172.3177.9-177.10113.1
748S73.8Confident81.1Confident52 Ų5263.2 Ų63.236%0.36433%0.329SS..SBendtrans-79.2133.2-178.2-1790000111.9K750 E751 K752S748-K750 PolarHBondContact O-N 2.65Å; S748-E751 VanDerWaalsContact CB-CD 3.42Å; S748-E751 VanDerWaalsContact CB-OE2 3.24Å; S748-E751 WeakPolarHBondContact CB-OE2 3.18Å; S748-E751 PolarHBondContact N-OE2 3.45Å; S748-E751 WeakPolarHBondContact O-CA 3.27Å; S748-E751 WeakPolarHBondContact O-CB 3.17Å; S748-E751 PolarHBondContact O-N 3.44Å; S748-K752 WeakPolarHBondContact O-CG 3.46Å; S748-K752 PolarHBondContact O-N 2.78Å
749S75.9Confident81Confident28 Ų2862.4 Ų62.420%0.19633%0.326CS..Hα-helixtrans-61.6-29177.6-46.40000113.2D729 T753D729-S749 WeakPolarHBondContact OD1-CB 3.4Å; D729-S749 PolarHBondContact OD1-OG 2.9Å; S749-T753 VanDerWaalsContact O-CB 3.26Å; S749-T753 WeakPolarHBondContact O-CB 3.05Å; S749-T753 PolarHBondContact O-N 3.45Å; S749-T753 PolarHBondContact O-OG1 3.18Å
750K77.5Confident80.9Confident76 Ų7660.9 Ų60.933%0.3332%0.32SS..Hα-helixtrans-64.8-41.4171.1-179.2161.2-162.6146.10111.8F728 S748 K754 G774F728-K750 HydrophobicContact CD2-CB 3.56Å; F728-K750 HydrophobicContact CD2-CD 4.11Å; F728-K750 HydrophobicContact CD2-CG 3.85Å; F728-K750 HydrophobicContact CE1-CG 4.19Å; F728-K750 HydrophobicContact CE2-CB 3.68Å; F728-K750 HydrophobicContact CE2-CD 3.34Å; F728-K750 HydrophobicContact CE2-CG 3.38Å; F728-K750 HydrophobicContact CG-CB 4.1Å; F728-K750 HydrophobicContact CZ-CB 4.25Å; F728-K750 HydrophobicContact CZ-CD 3.8Å; F728-K750 HydrophobicContact CZ-CG 3.62Å; S748-K750 PolarHBondContact O-N 2.65Å; K750-K754 WeakPolarHBondContact O-CB 3.22Å; K750-K754 PolarHBondContact O-N 3.32Å; K750-G774 PolarHBondContact NZ-O 3.08Å
751E80.3Confident81.1Confident99 Ų9959.6 Ų59.646%0.46331%0.305SS..Hα-helixtrans-71.4-46179-65.4162.6179.900110.4L746 S748 T753 K754 A755L746-E751 HydrophobicContact CB-CB 4.2Å; L746-E751 HydrophobicContact CD1-CB 4.11Å; L746-E751 HydrophobicContact CD2-CB 4.26Å; L746-E751 HydrophobicContact CG-CB 4.42Å; S748-E751 VanDerWaalsContact CB-CD 3.42Å; S748-E751 VanDerWaalsContact CB-OE2 3.24Å; S748-E751 WeakPolarHBondContact CB-OE2 3.18Å; S748-E751 PolarHBondContact N-OE2 3.45Å; S748-E751 WeakPolarHBondContact O-CA 3.27Å; S748-E751 WeakPolarHBondContact O-CB 3.17Å; S748-E751 PolarHBondContact O-N 3.44Å; E751-T753 PolarHBondContact O-N 2.78Å; E751-K754 PolarHBondContact O-N 2.77Å; E751-A755 WeakPolarHBondContact O-CB 3.18Å; E751-A755 PolarHBondContact O-N 2.76Å
752K83.5Confident81.2Confident58 Ų5858.8 Ų58.825%0.25231%0.31SS..Hα-helixtrans-53.6-54.5173.4-68.9-177.3-179.4-175.20111.4A732 A743 L746 S748 K754 A755 I756A732-K752 HydrophobicContact CB-CB 3.97Å; A732-K752 HydrophobicContact CB-CD 4.18Å; A743-K752 VanDerWaalsContact O-CE 3.24Å; A743-K752 WeakPolarHBondContact O-CE 3.35Å; A743-K752 WeakPolarHBondContact O-CG 3Å; L746-K752 HydrophobicContact CB-CG 3.98Å; L746-K752 WeakPolarHBondContact O-CE 3.45Å; S748-K752 WeakPolarHBondContact O-CG 3.46Å; S748-K752 PolarHBondContact O-N 2.78Å; K752-K754 PolarHBondContact O-N 3.25Å; K752-A755 PolarHBondContact O-N 2.9Å; K752-A755 VanDerWaalsContact O-N 3.17Å; K752-I756 WeakPolarHBondContact O-CD1 3.16Å; K752-I756 VanDerWaalsContact O-CG1 3.24Å; K752-I756 WeakPolarHBondContact O-CG1 3.45Å; K752-I756 PolarHBondContact O-N 2.79Å
753T84.9Confident81.1Confident0 Ų060.8 Ų60.80%032%0.323CS..Hα-helixtrans-60.3-43.8-179.9-66.60000111.6F728 F731 A732 S749 E751 A755 I756 L757 V804F728-T753 HydrophobicContact CD1-CG2 3.62Å; F728-T753 HydrophobicContact CE1-CG2 3.97Å; F728-T753 PolarHBondContact O-OG1 2.76Å; F731-T753 HydrophobicContact CB-CG2 4.21Å; F731-T753 HydrophobicContact CD1-CG2 3.32Å; F731-T753 HydrophobicContact CE1-CG2 3.89Å; F731-T753 HydrophobicContact CG-CG2 3.85Å; A732-T753 PolarHBondContact N-OG1 3.05Å; S749-T753 VanDerWaalsContact O-CB 3.26Å; S749-T753 WeakPolarHBondContact O-CB 3.05Å; S749-T753 PolarHBondContact O-N 3.45Å; S749-T753 PolarHBondContact O-OG1 3.18Å; E751-T753 PolarHBondContact O-N 2.78Å; T753-A755 PolarHBondContact O-N 3.48Å; T753-I756 PolarHBondContact O-N 3.25Å; T753-L757 HydrophobicContact CG2-CD1 3.76Å; T753-L757 HydrophobicContact CG2-CG 4.47Å; T753-L757 WeakPolarHBondContact O-CB 3.48Å; T753-L757 WeakPolarHBondContact O-CD1 3.01Å; T753-L757 VanDerWaalsContact O-CG 3.26Å; T753-L757 WeakPolarHBondContact O-CG 3.41Å; T753-L757 PolarHBondContact O-N 3.44Å; T753-V804 HydrophobicContact CG2-CG2 3.56Å
754K84.8Confident81.1Confident103 Ų10363 Ų6345%0.44835%0.346SS..Hα-helixtrans-61.1-42.6174.9-173.5179.6176.2-178.10112K750 E751 K752 L757 Q758 I773K750-K754 WeakPolarHBondContact O-CB 3.22Å; K750-K754 PolarHBondContact O-N 3.32Å; E751-K754 PolarHBondContact O-N 2.77Å; K752-K754 PolarHBondContact O-N 3.25Å; K754-L757 PolarHBondContact O-N 2.75Å; K754-Q758 HydrophobicContact CG-CG 4.31Å; K754-Q758 WeakPolarHBondContact O-CB 3.48Å; K754-Q758 VanDerWaalsContact O-CG 3.29Å; K754-Q758 WeakPolarHBondContact O-CG 3.33Å; K754-Q758 PolarHBondContact O-N 3Å; K754-I773 HydrophobicContact CG-CD1 4.25Å
755A84.6Confident81Confident19 Ų1961.8 Ų61.816%0.15733%0.329CS..Hα-helixtrans-68.4-41179.600000112.9E742 L746 E751 K752 T753 Q758 S759E742-A755 HydrophobicContact CB-CB 4.33Å; L746-A755 HydrophobicContact CD1-CB 3.45Å; L746-A755 VanDerWaalsContact CD1-CB 3.45Å; E751-A755 WeakPolarHBondContact O-CB 3.18Å; E751-A755 PolarHBondContact O-N 2.76Å; K752-A755 PolarHBondContact O-N 2.9Å; K752-A755 VanDerWaalsContact O-N 3.17Å; T753-A755 PolarHBondContact O-N 3.48Å; A755-Q758 PolarHBondContact O-N 2.8Å; A755-S759 VanDerWaalsContact O-CB 3.31Å; A755-S759 WeakPolarHBondContact O-CB 3.46Å; A755-S759 PolarHBondContact O-N 3.1Å
756I86.7Confident81Confident0 Ų055.3 Ų55.30%030%0.301CS..Hα-helixtrans-58-49.6172.8-65.8160.2000109.6F731 K739 A743 K752 T753 S759 L760F731-I756 HydrophobicContact CE1-CB 4.28Å; F731-I756 HydrophobicContact CE1-CG2 3.9Å; F731-I756 HydrophobicContact CZ-CG2 4.46Å; K739-I756 HydrophobicContact CB-CG1 4.29Å; A743-I756 HydrophobicContact CB-CD1 4.11Å; A743-I756 HydrophobicContact CB-CG1 4.23Å; K752-I756 WeakPolarHBondContact O-CD1 3.16Å; K752-I756 VanDerWaalsContact O-CG1 3.24Å; K752-I756 WeakPolarHBondContact O-CG1 3.45Å; K752-I756 PolarHBondContact O-N 2.79Å; T753-I756 PolarHBondContact O-N 3.25Å; I756-S759 PolarHBondContact O-N 2.83Å; I756-L760 HydrophobicContact CG2-CD1 3.81Å; I756-L760 VanDerWaalsContact O-CG 3.28Å; I756-L760 WeakPolarHBondContact O-CG 3.05Å; I756-L760 PolarHBondContact O-N 2.97Å
757L87.1Confident80.9Confident0 Ų054.4 Ų54.40%030%0.298CS..Hα-helixtrans-63.9-44.6179.2-68.7166.3000112.4F731 T753 K754 S759 L760 V761 I766 F771 I773 V804 F806F731-L757 HydrophobicContact CE1-CD2 4.25Å; F731-L757 HydrophobicContact CE1-CG 4.12Å; F731-L757 HydrophobicContact CE2-CD2 4.47Å; F731-L757 HydrophobicContact CZ-CD2 3.74Å; F731-L757 HydrophobicContact CZ-CG 4.13Å; T753-L757 HydrophobicContact CG2-CD1 3.76Å; T753-L757 HydrophobicContact CG2-CG 4.47Å; T753-L757 WeakPolarHBondContact O-CB 3.48Å; T753-L757 WeakPolarHBondContact O-CD1 3.01Å; T753-L757 VanDerWaalsContact O-CG 3.26Å; T753-L757 WeakPolarHBondContact O-CG 3.41Å; T753-L757 PolarHBondContact O-N 3.44Å; K754-L757 PolarHBondContact O-N 2.75Å; L757-S759 VanDerWaalsContact C-N 3.32Å; L757-S759 PolarHBondContact O-N 3.48Å; L757-L760 PolarHBondContact O-N 2.91Å; L757-V761 WeakPolarHBondContact O-CG2 2.75Å; L757-V761 PolarHBondContact O-N 3.13Å; L757-I766 HydrophobicContact CD2-CD1 3.7Å; L757-F771 HydrophobicContact CB-CE1 4.48Å; L757-F771 HydrophobicContact CB-CE2 4.2Å; L757-F771 HydrophobicContact CB-CZ 4.06Å; L757-F771 HydrophobicContact CD1-CD2 3.95Å; L757-F771 HydrophobicContact CD1-CE2 4.05Å; L757-F771 HydrophobicContact CD2-CD1 4.38Å; L757-F771 HydrophobicContact CD2-CG 4.34Å; L757-I773 HydrophobicContact CD1-CD1 4.37Å; L757-V804 HydrophobicContact CD1-CG1 3.97Å; L757-V804 HydrophobicContact CD1-CG2 4.46Å; L757-F806 HydrophobicContact CD2-CE1 3.76Å; L757-F806 HydrophobicContact CD2-CZ 3.91Å
758Q84.9Confident81.1Confident97 Ų9751.4 Ų51.445%0.45329%0.287SS..Hα-helixtrans-64.6-34.9177-73.4-174.7-65.700112.5K754 A755 T762K754-Q758 HydrophobicContact CG-CG 4.31Å; K754-Q758 WeakPolarHBondContact O-CB 3.48Å; K754-Q758 VanDerWaalsContact O-CG 3.29Å; K754-Q758 WeakPolarHBondContact O-CG 3.33Å; K754-Q758 PolarHBondContact O-N 3Å; A755-Q758 PolarHBondContact O-N 2.8Å; Q758-T762 WeakPolarHBondContact O-CB 2.87Å; Q758-T762 PolarHBondContact O-N 3.43Å; Q758-T762 PolarHBondContact O-OG1 3.35Å
759S84.4Confident81.1Confident16 Ų1653 Ų5311%0.11229%0.292CS..Hα-helixtrans-68.2-43.3174-165.80000111.3K739 E742 A755 I756 L757 V761 T762 D763K739-S759 WeakPolarHBondContact CD-OG 2.97Å; K739-S759 WeakPolarHBondContact CE-OG 3.46Å; K739-S759 PolarHBondContact NZ-OG 3.22Å; E742-S759 VanDerWaalsContact OE1-CB 3.31Å; E742-S759 WeakPolarHBondContact OE1-CB 3.05Å; E742-S759 PolarHBondContact OE1-OG 2.93Å; A755-S759 VanDerWaalsContact O-CB 3.31Å; A755-S759 WeakPolarHBondContact O-CB 3.46Å; A755-S759 PolarHBondContact O-N 3.1Å; I756-S759 PolarHBondContact O-N 2.83Å; L757-S759 VanDerWaalsContact C-N 3.32Å; L757-S759 PolarHBondContact O-N 3.48Å; S759-V761 VanDerWaalsContact C-N 3.35Å; S759-V761 PolarHBondContact O-N 2.9Å; S759-T762 WeakPolarHBondContact O-CB 3.3Å; S759-T762 PolarHBondContact O-N 3.45Å; S759-T762 VanDerWaalsContact O-N 3.12Å; S759-D763 PolarHBondContact O-N 2.94Å
760L85.8Confident81.2Confident1 Ų152.8 Ų52.81%0.00529%0.289CS..Hα-helixtrans-65.7-31.8175-68.1166.5000113.6L738 I756 L757 G764 A765 I766 L814 M817L738-L760 HydrophobicContact CD1-CD1 4.32Å; L738-L760 HydrophobicContact CD1-CD2 4.46Å; I756-L760 HydrophobicContact CG2-CD1 3.81Å; I756-L760 VanDerWaalsContact O-CG 3.28Å; I756-L760 WeakPolarHBondContact O-CG 3.05Å; I756-L760 PolarHBondContact O-N 2.97Å; L757-L760 PolarHBondContact O-N 2.91Å; L760-G764 PolarHBondContact O-N 3.15Å; L760-A765 HydrophobicContact CD2-CB 4.34Å; L760-A765 PolarHBondContact O-N 2.82Å; L760-I766 HydrophobicContact CB-CD1 3.82Å; L760-I766 HydrophobicContact CB-CG1 3.87Å; L760-I766 HydrophobicContact CD1-CD1 4.45Å; L760-I766 PolarHBondContact O-N 3.45Å; L760-L814 HydrophobicContact CD1-CD2 3.78Å; L760-M817 HydrophobicContact CD2-CE 3.8Å
761V84.9Confident81.6Confident38 Ų3850 Ų5023%0.2328%0.277CS..Hα-helixtrans-68.6-40.4169.5170.30000111.2L757 S759 G764 I766 E768 F771L757-V761 WeakPolarHBondContact O-CG2 2.75Å; L757-V761 PolarHBondContact O-N 3.13Å; S759-V761 VanDerWaalsContact C-N 3.35Å; S759-V761 PolarHBondContact O-N 2.9Å; V761-G764 PolarHBondContact O-N 3.28Å; V761-I766 WeakPolarHBondContact CA-O 3.41Å; V761-I766 HydrophobicContact CG2-CD1 4.28Å; V761-I766 HydrophobicContact CG2-CG1 3.81Å; V761-E768 HydrophobicContact CG1-CG 3.97Å; V761-E768 HydrophobicContact CG2-CG 4.35Å; V761-F771 HydrophobicContact CG2-CE1 3.66Å; V761-F771 HydrophobicContact CG2-CZ 4.15Å
762T81.8Confident81.7Confident121 Ų12148.1 Ų48.174%0.74227%0.268SS*.Hα-helixtrans-66.5-37.5179.4-56.50000111.7Q758 S759 G764Q758-T762 WeakPolarHBondContact O-CB 2.87Å; Q758-T762 PolarHBondContact O-N 3.43Å; Q758-T762 PolarHBondContact O-OG1 3.35Å; S759-T762 WeakPolarHBondContact O-CB 3.3Å; S759-T762 PolarHBondContact O-N 3.45Å; S759-T762 VanDerWaalsContact O-N 3.12Å; T762-G764 PolarHBondContact O-N 2.85Å
763D77Confident81.5Confident97 Ų9747.6 Ų47.652%0.51927%0.267SS..THydrogen-bonded Turntrans-69.4-16.2172.1-68.6-0.6000113.1K739 S759K739-D763 WeakPolarHBondContact CE-OD2 3.19Å; K739-D763 IonicContact NZ-OD1 3.17Å; K739-D763 PolarHBondContact NZ-OD1 3.48Å; K739-D763 VanDerWaalsContact NZ-OD1 3.12Å; K739-D763 IonicContact NZ-OD2 2.57Å; K739-D763 PolarHBondContact NZ-OD2 3.03Å; S759-D763 PolarHBondContact O-N 2.94Å
764G76Confident81Confident50 Ų5047.6 Ų47.652%0.51527%0.267SS..THydrogen-bonded Turntrans76.416.9-174.600000114.9L760 V761 T762L760-G764 PolarHBondContact O-N 3.15Å; V761-G764 PolarHBondContact O-N 3.28Å; T762-G764 PolarHBondContact O-N 2.85Å
765A74.4Confident80Confident39 Ų3947.4 Ų47.432%0.32227%0.27SS..SBendtrans-77.3-27.5178.500000113.1L760 M817L760-A765 HydrophobicContact CD2-CB 4.34Å; L760-A765 PolarHBondContact O-N 2.82Å; A765-M817 HydrophobicContact CB-CE 4.23Å; A765-M817 HydrophobicContact CB-SD 4.31Å
766I80.3Confident78.4Confident8 Ų848.1 Ų48.14%0.04127%0.273CS..SBendtrans-139.3166171.763.5179.8000109.5L757 L760 V761 F771 I810 L814L757-I766 HydrophobicContact CD2-CD1 3.7Å; L760-I766 HydrophobicContact CB-CD1 3.82Å; L760-I766 HydrophobicContact CB-CG1 3.87Å; L760-I766 HydrophobicContact CD1-CD1 4.45Å; L760-I766 PolarHBondContact O-N 3.45Å; V761-I766 WeakPolarHBondContact CA-O 3.41Å; V761-I766 HydrophobicContact CG2-CD1 4.28Å; V761-I766 HydrophobicContact CG2-CG1 3.81Å; I766-F771 HydrophobicContact CD1-CD1 3.97Å; I766-F771 HydrophobicContact CD1-CE1 4.01Å; I766-I810 HydrophobicContact CG2-CG2 4.06Å; I766-L814 HydrophobicContact CG2-CD2 4.01Å
767T77.4Confident75.9Confident38 Ų3857.4 Ų57.423%0.23331%0.313CS..  trans-111.3164.5173.472.30000112.2D769 D770 F771 L1492T767-D769 PolarHBondContact O-N 3.05Å; T767-D769 PolarHBondContact OG1-N 2.9Å; T767-D770 WeakPolarHBondContact CA-OD2 2.86Å; T767-D770 WeakPolarHBondContact CB-OD2 2.94Å; T767-D770 PolarHBondContact N-OD2 3.5Å; T767-D770 WeakPolarHBondContact O-CB 3.35Å; T767-D770 PolarHBondContact O-N 3.24Å; T767-D770 VanDerWaalsContact O-N 3.08Å; T767-D770 PolarHBondContact OG1-OD2 3.37Å; T767-F771 WeakPolarHBondContact O-CD1 3.32Å; T767-F771 WeakPolarHBondContact O-CE1 3.25Å; T767-L1492 HydrophobicContact CG2-CD1 4.4Å; T767-L1492 HydrophobicContact CG2-CD2 3.84Å
768E76.6Confident73.5Confident139 Ų13962.1 Ų62.165%0.6534%0.342SS*.THydrogen-bonded Turntrans-64.9-21.1174.6-60.4-169136.600113.1V761 D770V761-E768 HydrophobicContact CG1-CG 3.97Å; V761-E768 HydrophobicContact CG2-CG 4.35Å; E768-D770 VanDerWaalsContact C-N 3.33Å
769D73.9Confident70.9Confident85 Ų8567 Ų6746%0.45536%0.356SS..THydrogen-bonded Turntrans-75.8-19.7173.4-83.9-41.9000112.6T767 F771 K807T767-D769 PolarHBondContact O-N 3.05Å; T767-D769 PolarHBondContact OG1-N 2.9Å; D769-F771 VanDerWaalsContact C-N 3.34Å; D769-F771 PolarHBondContact O-N 2.79Å; D769-K807 WeakPolarHBondContact O-CD 3.26Å; D769-K807 WeakPolarHBondContact O-CE 3.06Å; D769-K807 PolarHBondContact O-NZ 3.24Å
770D78.6Confident68.3Low25 Ų2572.2 Ų72.213%0.13439%0.387CS..SBendtrans-80.8-15.4-170.4-71.3-44000114.1T767 E768 F806 K807 I810T767-D770 WeakPolarHBondContact CA-OD2 2.86Å; T767-D770 WeakPolarHBondContact CB-OD2 2.94Å; T767-D770 PolarHBondContact N-OD2 3.5Å; T767-D770 WeakPolarHBondContact O-CB 3.35Å; T767-D770 PolarHBondContact O-N 3.24Å; T767-D770 VanDerWaalsContact O-N 3.08Å; T767-D770 PolarHBondContact OG1-OD2 3.37Å; E768-D770 VanDerWaalsContact C-N 3.33Å; D770-F806 WeakPolarHBondContact O-CA 3Å; D770-K807 PolarHBondContact O-N 2.87Å; D770-I810 HydrophobicContact CB-CD1 3.85Å; D770-I810 HydrophobicContact CB-CG1 3.87Å; D770-I810 HydrophobicContact CB-CG2 4.21Å; D770-I810 VanDerWaalsContact CG-CD1 3.46Å; D770-I810 WeakPolarHBondContact OD1-CD1 3.47Å
771F84.9Confident66Low18 Ų1881.2 Ų81.28%0.07943%0.426CS..EExtended strand (participates in β ladder)trans-140.3164.4-179.668.4-86.6000112.7L757 V761 I766 T767 D769 I773 F805 F806L757-F771 HydrophobicContact CB-CE1 4.48Å; L757-F771 HydrophobicContact CB-CE2 4.2Å; L757-F771 HydrophobicContact CB-CZ 4.06Å; L757-F771 HydrophobicContact CD1-CD2 3.95Å; L757-F771 HydrophobicContact CD1-CE2 4.05Å; L757-F771 HydrophobicContact CD2-CD1 4.38Å; L757-F771 HydrophobicContact CD2-CG 4.34Å; V761-F771 HydrophobicContact CG2-CE1 3.66Å; V761-F771 HydrophobicContact CG2-CZ 4.15Å; I766-F771 HydrophobicContact CD1-CD1 3.97Å; I766-F771 HydrophobicContact CD1-CE1 4.01Å; T767-F771 WeakPolarHBondContact O-CD1 3.32Å; T767-F771 WeakPolarHBondContact O-CE1 3.25Å; D769-F771 VanDerWaalsContact C-N 3.34Å; D769-F771 PolarHBondContact O-N 2.79Å; F771-I773 HydrophobicContact CD2-CD1 4.41Å; F771-I773 HydrophobicContact CD2-CG1 3.97Å; F771-I773 HydrophobicContact CE2-CD1 3.9Å; F771-I773 HydrophobicContact CE2-CG1 3.94Å; F771-F805 CarbonylContact C-O 3.37Å; F771-F805 WeakPolarHBondContact CA-O 3.04Å; F771-F805 WeakPolarHBondContact CB-O 3.1Å; F771-F806 HydrophobicContact CB-CD1 3.61Å; F771-F806 HydrophobicContact CB-CE1 3.63Å; F771-F806 HydrophobicContact CB-CG 4.4Å; F771-F806 HydrophobicContact CB-CZ 4.45Å; F771-F806 HydrophobicContact CG-CE1 4.4Å
772Q82.6Confident63.8Low58 Ų5884 Ų8427%0.27145%0.454SS..EExtended strand (participates in β ladder)trans-138.2148.2169.7-73.9-64.7-57.400110.5I514 F722 V804 F805I514-Q772 HydrophobicContact CG2-CB 3.82Å; I514-Q772 HydrophobicContact CG2-CG 3.78Å; F722-Q772 HydrophobicContact CD1-CG 4.38Å; F722-Q772 HydrophobicContact CD2-CG 4.39Å; F722-Q772 HydrophobicContact CE1-CB 4.4Å; F722-Q772 HydrophobicContact CE1-CG 3.71Å; F722-Q772 HydrophobicContact CE2-CG 3.72Å; F722-Q772 HydrophobicContact CZ-CB 4.34Å; F722-Q772 HydrophobicContact CZ-CG 3.34Å; Q772-V804 WeakPolarHBondContact O-CA 3.48Å; Q772-V804 WeakPolarHBondContact O-CG1 3.09Å; Q772-F805 HydrophobicContact CB-CB 4.31Å; Q772-F805 PolarHBondContact N-O 3.32Å; Q772-F805 PolarHBondContact O-N 3.17Å
773I80.1Confident61.8Low48 Ų4883.1 Ų83.125%0.24646%0.458CS..EExtended strand (participates in β ladder)trans-112.2116-173-62.8-174.6000109.5F728 K754 L757 F771F728-I773 HydrophobicContact CE1-CG2 3.97Å; F728-I773 HydrophobicContact CZ-CG2 3.6Å; K754-I773 HydrophobicContact CG-CD1 4.25Å; L757-I773 HydrophobicContact CD1-CD1 4.37Å; F771-I773 HydrophobicContact CD2-CD1 4.41Å; F771-I773 HydrophobicContact CD2-CG1 3.97Å; F771-I773 HydrophobicContact CE2-CD1 3.9Å; F771-I773 HydrophobicContact CE2-CG1 3.94Å
774G74.5Confident60Low0 Ų089 Ų890%047%0.473CS..  trans-69.1158.3-177.800000114.8E512 K750 W803E512-G774 CarbonylContact O-C 3.58Å; E512-G774 WeakPolarHBondContact O-CA 2.96Å; E512-G774 WeakPolarHBondContact OE2-CA 2.97Å; K750-G774 PolarHBondContact NZ-O 3.08Å; G774-W803 WeakPolarHBondContact CA-O 3.32Å; G774-W803 PolarHBondContact N-O 3.02Å
775I63.2Low58.5Low99 Ų9996.3 Ų96.351%0.50849%0.487SS..  trans-118.939.3-171.8-35177.4000111.9E512 G513 K777E512-I775 WeakPolarHBondContact O-CG1 3.06Å; E512-I775 PolarHBondContact O-N 3.36Å; G513-I775 WeakPolarHBondContact O-CD1 3.39Å; I775-K777 VanDerWaalsContact C-N 3.26Å; I775-K777 PolarHBondContact O-N 2.96Å
776T51.2Low56.8Low34 Ų34104.8 Ų104.821%0.20951%0.512CS..  trans-66.386.2171.5-8.60000111.6E512 A800 V802E512-T776 WeakPolarHBondContact OE1-CB 3.23Å; E512-T776 WeakPolarHBondContact OE1-CG2 3.49Å; E512-T776 PolarHBondContact OE1-OG1 3.35Å; E512-T776 PolarHBondContact OE2-OG1 2.92Å; T776-A800 HydrophobicContact CG2-CB 4.39Å; T776-V802 WeakPolarHBondContact OG1-CA 3.39Å; T776-V802 VanDerWaalsContact OG1-CG1 3.24Å; T776-V802 WeakPolarHBondContact OG1-CG1 3.27Å
777K34.2Very low54.6Low195 Ų195110 Ų11085%0.84855%0.547SS*.  trans-132.634.4161.4-142.5-176.4-171.7-175.60109.5I775 R779I775-K777 VanDerWaalsContact C-N 3.26Å; I775-K777 PolarHBondContact O-N 2.96Å; K777-R779 PolarHBondContact O-N 2.71Å
778V36.7Very low52.8Low99 Ų99114.2 Ų114.260%0.658%0.576SS**  trans-74.470.1-174.8-168.50000111.1
779R29.5Very low51Low199 Ų199115.4 Ų115.475%0.75159%0.587SS**  trans-67.6156.7135.5-98.2-179.8165.8-166.6-8.7108.1K777K777-R779 PolarHBondContact O-N 2.71Å
780T30.9Very low49.4Very low125 Ų125119.4 Ų119.477%0.76761%0.607SS**SBendtrans55.974.8165.657.90000117.1
781F38.1Very low47.7Very low190 Ų190123.1 Ų123.183%0.83363%0.627SS**SBendtrans-149.5-37.6144-135.6-87.5000114.8A783F781-A783 VanDerWaalsContact C-N 3.33Å; F781-A783 PolarHBondContact O-N 2.75Å
782A37.8Very low45.4Very low97 Ų97131.4 Ų131.480%0.80266%0.658SS**SBendtrans-67.3-27.3-177.600000114.8R784A782-R784 PolarHBondContact O-N 3.3Å
783A39.8Very low43.4Very low102 Ų102135.2 Ų135.284%0.84367%0.674SS**THydrogen-bonded Turntrans-76.131.8-171.400000115.3F781F781-A783 VanDerWaalsContact C-N 3.33Å; F781-A783 PolarHBondContact O-N 2.75Å
784R39.9Very low41.6Very low222 Ų222136.8 Ų136.884%0.83869%0.689SS**THydrogen-bonded Turntrans-130.50.1-176.1-149.2175.4-173.8167.64.3115.7A782A782-R784 PolarHBondContact O-N 3.3Å
785Y43.3Very low39.9Very low202 Ų202144.6 Ų144.679%0.79272%0.72SS**SBendtrans-136.5-10.6-175.8-93.2-79.5000117
786Y38.8Very low38.5Very low218 Ų218144 Ų14486%0.85572%0.721SS**  trans-145.7114.8175.5-71.2-78.8000111.8
787P34.7Very low37.7Very low118 Ų118151.3 Ų151.377%0.76675%0.752SS**  trans-103.1122.3163.634-24.5000110.7
788C39.5Very low37.9Very low126 Ų126147.9 Ų147.985%0.85174%0.742SS**  trans-169.9144.9159.8-109.50000110.5
789D37.9Very low37.9Very low164 Ų164151.7 Ų151.788%0.87775%0.751SS**  trans-76.2126.2-164.3-56.6-86000114.9
790L40.6Very low38.4Very low169 Ų169145.2 Ų145.289%0.88574%0.74SS**  trans-147.7143.5168.7-101.2160.4000110W792L790-W792 PolarHBondContact O-N 3.04Å; L790-W792 VanDerWaalsContact O-N 3.13Å
791D42.7Very low39.1Very low102 Ų102142 Ų14255%0.54572%0.721SS.*  trans-59.9111.4-162.5-172.6-10.1000114.2K793 S794D791-K793 PolarHBondContact O-N 3.18Å; D791-K793 WeakPolarHBondContact OD1-CB 3.25Å; D791-K793 PolarHBondContact OD1-N 3.38Å; D791-S794 PolarHBondContact O-N 2.9Å; D791-S794 VanDerWaalsContact O-N 3.17Å; D791-S794 PolarHBondContact O-OG 3.18Å
792W37.5Very low40.1Very low192 Ų192134.9 Ų134.973%0.72769%0.693SS**G310 helixtrans-55.6-31.1177.8149.1-100000113.8L790 S794 Y795 T796L790-W792 PolarHBondContact O-N 3.04Å; L790-W792 VanDerWaalsContact O-N 3.13Å; W792-S794 PolarHBondContact O-N 2.96Å; W792-Y795 PolarHBondContact O-N 2.85Å; W792-T796 HydrophobicContact CH2-CG2 4.28Å; W792-T796 HydrophobicContact CZ2-CG2 4.14Å
793K40.5Very low41.7Very low139 Ų139133 Ų13360%0.60467%0.666SS**G310 helixtrans-70.3-20.1-178.9-69.9-177.1176.2178.60113.2D791 Y795 T796D791-K793 PolarHBondContact O-N 3.18Å; D791-K793 WeakPolarHBondContact OD1-CB 3.25Å; D791-K793 PolarHBondContact OD1-N 3.38Å; K793-Y795 VanDerWaalsContact C-N 3.34Å; K793-T796 PolarHBondContact O-OG1 3.48Å; K793-T796 VanDerWaalsContact O-OG1 3.05Å
794S43.1Very low43.7Very low81 Ų81128.2 Ų128.257%0.56663%0.626SS**G310 helixtrans-75.7-21.3170.3-6.50000113.2D791 W792D791-S794 PolarHBondContact O-N 2.9Å; D791-S794 VanDerWaalsContact O-N 3.17Å; D791-S794 PolarHBondContact O-OG 3.18Å; W792-S794 PolarHBondContact O-N 2.96Å
795Y38.6Very low45.8Very low164 Ų164117.6 Ų117.664%0.64359%0.586SS**THydrogen-bonded Turntrans-86.9-16.1-173.5-116.5-82.5000113.7W792 K793 E797 L798W792-Y795 PolarHBondContact O-N 2.85Å; K793-Y795 VanDerWaalsContact C-N 3.34Å; Y795-E797 VanDerWaalsContact C-N 3.3Å; Y795-E797 PolarHBondContact O-N 3.47Å; Y795-L798 HydrophobicContact CD1-CD1 4.34Å; Y795-L798 HydrophobicContact CE1-CD1 4.15Å; Y795-L798 PolarHBondContact O-N 3.05Å
796T34.1Very low47.6Very low86 Ų86108 Ų10853%0.52855%0.548SS..THydrogen-bonded Turntrans-73.4-12.4-176.331.50000115.5W792 K793W792-T796 HydrophobicContact CH2-CG2 4.28Å; W792-T796 HydrophobicContact CZ2-CG2 4.14Å; K793-T796 PolarHBondContact O-OG1 3.48Å; K793-T796 VanDerWaalsContact O-OG1 3.05Å
797E34.5Very low49.4Very low187 Ų187100.4 Ų100.487%0.87452%0.519SS*.THydrogen-bonded Turntrans-90.7-13.8172.6-62.6-164.5136.400113.2Y795 K799Y795-E797 VanDerWaalsContact C-N 3.3Å; Y795-E797 PolarHBondContact O-N 3.47Å; E797-K799 PolarHBondContact O-N 3.09Å
798L37.8Very low50.7Low123 Ų12396.9 Ų96.964%0.64450%0.5SS*.  trans-78.462.2172.3-83.5165000111.8Y795 A800Y795-L798 HydrophobicContact CD1-CD1 4.34Å; Y795-L798 HydrophobicContact CE1-CD1 4.15Å; Y795-L798 PolarHBondContact O-N 3.05Å; L798-A800 PolarHBondContact O-N 3.37Å
799K36.3Very low51.9Low180 Ų18093.3 Ų93.378%0.78349%0.485SS*.  trans-65.590.5154.7-79.4-174.8178.1178.10108.1E797 P801E797-K799 PolarHBondContact O-N 3.09Å; K799-P801 VanDerWaalsContact O-CD 3.29Å; K799-P801 WeakPolarHBondContact O-CD 3.46Å; K799-P801 VanDerWaalsContact O-N 3.08Å
800A40.6Very low53.8Low62 Ų6287 Ų8751%0.51245%0.451SS..PPolyproline II helixtrans-50.1117.8165.200000108.2T776 L798T776-A800 HydrophobicContact CG2-CB 4.39Å; L798-A800 PolarHBondContact O-N 3.37Å
801P45.7Very low55.3Low58 Ų5881.7 Ų81.738%0.37742%0.422SS..PPolyproline II helixtrans-62.1144.1-179.1-19.231000109.1K799 W803K799-P801 VanDerWaalsContact O-CD 3.29Å; K799-P801 WeakPolarHBondContact O-CD 3.46Å; K799-P801 VanDerWaalsContact O-N 3.08Å; P801-W803 HydrophobicContact CB-CD2 4.45Å; P801-W803 HydrophobicContact CB-CH2 4.28Å; P801-W803 HydrophobicContact CB-CZ2 3.75Å; P801-W803 HydrophobicContact CG-CH2 4.33Å; P801-W803 HydrophobicContact CG-CZ2 3.76Å; P801-W803 PolarHBondContact O-NE1 3.01Å
802V58.3Low56.5Low41 Ų4178.2 Ų78.225%0.24841%0.407CS..PPolyproline II helixtrans-98.6117-177.6-167.80000107.8S727 F728 T776S727-V802 CarbonylContact C-O 3.54Å; F728-V802 HydrophobicContact CD2-CB 3.56Å; F728-V802 HydrophobicContact CD2-CG1 3.46Å; F728-V802 VanDerWaalsContact CD2-CG1 3.46Å; F728-V802 WeakPolarHBondContact CD2-O 3.06Å; F728-V802 HydrophobicContact CE2-CB 3.87Å; F728-V802 HydrophobicContact CE2-CG1 3.21Å; F728-V802 WeakPolarHBondContact CG-O 3.32Å; F728-V802 HydrophobicContact CZ-CG1 4.31Å; F728-V802 PolarHBondContact N-O 3.42Å; T776-V802 WeakPolarHBondContact OG1-CA 3.39Å; T776-V802 VanDerWaalsContact OG1-CG1 3.24Å; T776-V802 WeakPolarHBondContact OG1-CG1 3.27Å
803W71.9Confident58.3Low58 Ų5871.9 Ų71.922%0.2239%0.391CS..EExtended strand (participates in β ladder)trans-98.9153.7-155.5-61.993.2000115E512 R725 F726 G774 P801 F805E512-W803 PolarHBondContact OE2-N 3.18Å; R725-W803 HydrophobicContact CB-CE3 3.93Å; R725-W803 HydrophobicContact CB-CZ3 4.45Å; R725-W803 HydrophobicContact CG-CE3 3.88Å; R725-W803 HydrophobicContact CG-CZ3 3.97Å; F726-W803 VanDerWaalsContact C-CE3 3.42Å; F726-W803 CarbonylContact O-C 3.53Å; F726-W803 WeakPolarHBondContact O-CA 3.3Å; G774-W803 WeakPolarHBondContact CA-O 3.32Å; G774-W803 PolarHBondContact N-O 3.02Å; P801-W803 HydrophobicContact CB-CD2 4.45Å; P801-W803 HydrophobicContact CB-CH2 4.28Å; P801-W803 HydrophobicContact CB-CZ2 3.75Å; P801-W803 HydrophobicContact CG-CH2 4.33Å; P801-W803 HydrophobicContact CG-CZ2 3.76Å; P801-W803 PolarHBondContact O-NE1 3.01Å; W803-F805 HydrophobicContact CB-CD2 4.09Å; W803-F805 HydrophobicContact CB-CE2 3.38Å; W803-F805 HydrophobicContact CB-CZ 3.73Å; W803-F805 HydrophobicContact CG-CE2 4.31Å; W803-F805 HydrophobicContact CG-CZ 4.21Å
804V82.1Confident60.2Low0 Ų065.2 Ų65.20%036%0.363CS..EExtended strand (participates in β ladder)trans-116.7140.3157.6-176.20000108.6R725 F726 F728 T753 L757 Q772 F806R725-V804 CarbonylContact C-O 3.6Å; R725-V804 VanDerWaalsContact CA-O 3.23Å; R725-V804 WeakPolarHBondContact CA-O 3.05Å; F726-V804 PolarHBondContact N-O 3.43Å; F726-V804 PolarHBondContact O-N 2.85Å; F728-V804 HydrophobicContact CD1-CG2 3.55Å; F728-V804 HydrophobicContact CE1-CG2 3.25Å; F728-V804 HydrophobicContact CZ-CG2 4.28Å; T753-V804 HydrophobicContact CG2-CG2 3.56Å; L757-V804 HydrophobicContact CD1-CG1 3.97Å; L757-V804 HydrophobicContact CD1-CG2 4.46Å; Q772-V804 WeakPolarHBondContact O-CA 3.48Å; Q772-V804 WeakPolarHBondContact O-CG1 3.09Å; V804-F806 HydrophobicContact CB-CE2 3.98Å; V804-F806 HydrophobicContact CB-CZ 4.32Å; V804-F806 HydrophobicContact CG1-CD2 4.21Å; V804-F806 HydrophobicContact CG1-CE1 4.21Å; V804-F806 HydrophobicContact CG1-CE2 3.43Å; V804-F806 VanDerWaalsContact CG1-CE2 3.43Å; V804-F806 HydrophobicContact CG1-CZ 3.41Å; V804-F806 VanDerWaalsContact CG1-CZ 3.41Å
805F83.5Confident62Low0 Ų061.6 Ų61.60%034%0.337CS..EExtended strand (participates in β ladder)trans-117.2139-174.1-69.2-91.4000109.6L508 Y509 E512 I514 F722 N724 R725 F771 Q772 W803L508-F805 HydrophobicContact CD1-CZ 4.35Å; L508-F805 HydrophobicContact CD2-CE1 3.8Å; L508-F805 HydrophobicContact CD2-CZ 4.06Å; L508-F805 HydrophobicContact CG-CE1 4.07Å; L508-F805 HydrophobicContact CG-CZ 3.94Å; Y509-F805 HydrophobicContact CD1-CD1 4.22Å; Y509-F805 AromaticContact CD1-CE1 3.99Å; Y509-F805 HydrophobicContact CD1-CE1 3.99Å; Y509-F805 AromaticContact CE1-CD1 3.91Å; Y509-F805 HydrophobicContact CE1-CD1 3.91Å; Y509-F805 AromaticContact CE1-CE1 3.93Å; Y509-F805 HydrophobicContact CE1-CE1 3.93Å; E512-F805 HydrophobicContact CB-CE2 3.87Å; E512-F805 HydrophobicContact CB-CZ 4.16Å; E512-F805 HydrophobicContact CG-CE2 3.87Å; E512-F805 HydrophobicContact CG-CZ 3.9Å; I514-F805 HydrophobicContact CD1-CB 4.22Å; I514-F805 HydrophobicContact CD1-CD1 3.89Å; I514-F805 HydrophobicContact CD1-CD2 3.37Å; I514-F805 HydrophobicContact CD1-CE1 4.05Å; I514-F805 HydrophobicContact CD1-CE2 3.54Å; I514-F805 HydrophobicContact CD1-CG 3.56Å; I514-F805 HydrophobicContact CD1-CZ 3.89Å; I514-F805 HydrophobicContact CG1-CD2 4.18Å; I514-F805 HydrophobicContact CG1-CE2 4.24Å; F722-F805 HydrophobicContact CB-CB 3.62Å; F722-F805 HydrophobicContact CB-CD1 4.4Å; F722-F805 HydrophobicContact CB-CG 4.48Å; F722-F805 HydrophobicContact CG-CB 4.09Å; N724-F805 CarbonylContact O-C 3.58Å; N724-F805 WeakPolarHBondContact O-CA 2.83Å; R725-F805 HydrophobicContact CB-CD1 3.94Å; R725-F805 HydrophobicContact CB-CE1 4.04Å; F771-F805 CarbonylContact C-O 3.37Å; F771-F805 WeakPolarHBondContact CA-O 3.04Å; F771-F805 WeakPolarHBondContact CB-O 3.1Å; Q772-F805 HydrophobicContact CB-CB 4.31Å; Q772-F805 PolarHBondContact N-O 3.32Å; Q772-F805 PolarHBondContact O-N 3.17Å; W803-F805 HydrophobicContact CB-CD2 4.09Å; W803-F805 HydrophobicContact CB-CE2 3.38Å; W803-F805 HydrophobicContact CB-CZ 3.73Å; W803-F805 HydrophobicContact CG-CE2 4.31Å; W803-F805 HydrophobicContact CG-CZ 4.21Å
806F81.6Confident63.8Low1 Ų158.4 Ų58.40%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-131.9145.2-178-62.9-87.9000111.8F722 N724 F726 F731 L757 D770 F771 V804 I810 L814F722-F806 CarbonylContact C-O 3.46Å; F722-F806 VanDerWaalsContact C-O 3.24Å; F722-F806 VanDerWaalsContact CA-O 3.29Å; F722-F806 WeakPolarHBondContact CA-O 3.5Å; N724-F806 HydrophobicContact CB-CB 4.11Å; N724-F806 PolarHBondContact N-O 2.91Å; N724-F806 PolarHBondContact O-N 3.11Å; F726-F806 HydrophobicContact CD2-CD2 4.22Å; F726-F806 AromaticContact CD2-CE2 3.98Å; F726-F806 HydrophobicContact CD2-CE2 3.98Å; F731-F806 AromaticContact CD2-CE2 3.88Å; F731-F806 HydrophobicContact CD2-CE2 3.88Å; F731-F806 AromaticContact CD2-CZ 3.83Å; F731-F806 HydrophobicContact CD2-CZ 3.83Å; F731-F806 HydrophobicContact CE2-CE1 4.23Å; F731-F806 AromaticContact CE2-CE2 3.73Å; F731-F806 HydrophobicContact CE2-CE2 3.73Å; F731-F806 AromaticContact CE2-CZ 3.25Å; F731-F806 HydrophobicContact CE2-CZ 3.25Å; F731-F806 AromaticContact CZ-CZ 3.94Å; F731-F806 HydrophobicContact CZ-CZ 3.94Å; L757-F806 HydrophobicContact CD2-CE1 3.76Å; L757-F806 HydrophobicContact CD2-CZ 3.91Å; D770-F806 WeakPolarHBondContact O-CA 3Å; F771-F806 HydrophobicContact CB-CD1 3.61Å; F771-F806 HydrophobicContact CB-CE1 3.63Å; F771-F806 HydrophobicContact CB-CG 4.4Å; F771-F806 HydrophobicContact CB-CZ 4.45Å; F771-F806 HydrophobicContact CG-CE1 4.4Å; V804-F806 HydrophobicContact CB-CE2 3.98Å; V804-F806 HydrophobicContact CB-CZ 4.32Å; V804-F806 HydrophobicContact CG1-CD2 4.21Å; V804-F806 HydrophobicContact CG1-CE1 4.21Å; V804-F806 HydrophobicContact CG1-CE2 3.43Å; V804-F806 VanDerWaalsContact CG1-CE2 3.43Å; V804-F806 HydrophobicContact CG1-CZ 3.41Å; V804-F806 VanDerWaalsContact CG1-CZ 3.41Å; F806-I810 HydrophobicContact CD1-CG2 4.04Å; F806-L814 HydrophobicContact CD1-CD1 4.13Å; F806-L814 HydrophobicContact CE1-CD1 3.74Å; F806-L814 HydrophobicContact CZ-CD1 4.18Å
807K75.4Confident66.2Low58 Ų5857 Ų5725%0.25232%0.319SS..  trans-64.4163.3170.9-74.5179.9176.5155.50111.8F722 N724 D769 D770 I810F722-K807 HydrophobicContact CD1-CG 3.84Å; F722-K807 HydrophobicContact CE1-CD 4.46Å; F722-K807 HydrophobicContact CE1-CG 3.85Å; N724-K807 PolarHBondContact ND2-O 3.23Å; D769-K807 WeakPolarHBondContact O-CD 3.26Å; D769-K807 WeakPolarHBondContact O-CE 3.06Å; D769-K807 PolarHBondContact O-NZ 3.24Å; D770-K807 PolarHBondContact O-N 2.87Å; K807-I810 HydrophobicContact CB-CG1 4.07Å
808A63.1Low68.6Low44 Ų4449.4 Ų49.436%0.36428%0.283SS..THydrogen-bonded Turntrans-57.3143.5173.100000111.3P723 I810P723-A808 HydrophobicContact CG-CB 4.24Å; A808-I810 PolarHBondContact O-N 2.92Å; A808-I810 VanDerWaalsContact O-N 3.11Å
809G64.5Low70.8Confident51 Ų5146 Ų4653%0.52627%0.266SS..THydrogen-bonded Turntrans81.2-37.3179.900000115.7M811 A812 C813G809-M811 VanDerWaalsContact C-N 3.31Å; G809-M811 PolarHBondContact O-N 2.98Å; G809-A812 WeakPolarHBondContact O-CB 3.11Å; G809-A812 PolarHBondContact O-N 3.01Å; G809-C813 PolarHBondContact O-N 3.32Å
810I77.1Confident73Confident31 Ų3143.8 Ų43.816%0.15926%0.258CS..Hα-helixtrans-58-41.8-175.7-56.3-61.9000112.5I766 D770 F806 K807 A808 A812 C813 L814I766-I810 HydrophobicContact CG2-CG2 4.06Å; D770-I810 HydrophobicContact CB-CD1 3.85Å; D770-I810 HydrophobicContact CB-CG1 3.87Å; D770-I810 HydrophobicContact CB-CG2 4.21Å; D770-I810 VanDerWaalsContact CG-CD1 3.46Å; D770-I810 WeakPolarHBondContact OD1-CD1 3.47Å; F806-I810 HydrophobicContact CD1-CG2 4.04Å; K807-I810 HydrophobicContact CB-CG1 4.07Å; A808-I810 PolarHBondContact O-N 2.92Å; A808-I810 VanDerWaalsContact O-N 3.11Å; I810-A812 PolarHBondContact O-N 3.31Å; I810-C813 WeakPolarHBondContact O-CB 3.48Å; I810-C813 PolarHBondContact O-N 2.84Å; I810-C813 VanDerWaalsContact O-N 3.14Å; I810-L814 HydrophobicContact CG2-CD1 4.38Å; I810-L814 PolarHBondContact O-N 2.88Å; I810-L814 VanDerWaalsContact O-N 3.1Å
811M73.1Confident75Confident58 Ų5842.5 Ų42.529%0.28625%0.247SC..Hα-helixtrans-59.7-30.2175.4-178.9172.169.300113.1N724 F726 G809 E815N724-M811 HydrophobicContact CB-CB 4.34Å; N724-M811 HydrophobicContact CB-CE 4.16Å; N724-M811 HydrophobicContact CB-SD 4.04Å; N724-M811 WeakPolarHBondContact OD1-CE 3.31Å; F726-M811 HydrophobicContact CE2-CG 3.98Å; F726-M811 HydrophobicContact CE2-SD 3.57Å; F726-M811 VanDerWaalsContact CE2-SD 3.57Å; F726-M811 HydrophobicContact CZ-CG 4.39Å; F726-M811 HydrophobicContact CZ-SD 3.8Å; G809-M811 VanDerWaalsContact C-N 3.31Å; G809-M811 PolarHBondContact O-N 2.98Å; M811-E815 HydrophobicContact CG-CG 4.41Å; M811-E815 WeakPolarHBondContact O-CB 3.36Å; M811-E815 WeakPolarHBondContact O-CG 3.3Å; M811-E815 PolarHBondContact O-N 3.33Å; M811-E815 VanDerWaalsContact O-N 3.09Å
812A66.4Low76.8Confident28 Ų2842.6 Ų42.623%0.23124%0.243CC..Hα-helixtrans-69.6-42.4175.600000111.2G809 I810 E815 D816G809-A812 WeakPolarHBondContact O-CB 3.11Å; G809-A812 PolarHBondContact O-N 3.01Å; I810-A812 PolarHBondContact O-N 3.31Å; A812-E815 PolarHBondContact O-N 3.16Å; A812-D816 PolarHBondContact O-N 2.78Å
813C75.5Confident78.1Confident59 Ų5944 Ų4440%0.39926%0.255SS..Hα-helixtrans-60.5-49.9175.9-174.90000112G809 I810 E815 D816 M817G809-C813 PolarHBondContact O-N 3.32Å; I810-C813 WeakPolarHBondContact O-CB 3.48Å; I810-C813 PolarHBondContact O-N 2.84Å; I810-C813 VanDerWaalsContact O-N 3.14Å; C813-E815 PolarHBondContact O-N 3.49Å; C813-D816 PolarHBondContact O-N 3.21Å; C813-M817 WeakPolarHBondContact O-CG 3.41Å; C813-M817 PolarHBondContact O-N 3.42Å
814L82.1Confident78.5Confident0 Ų044.9 Ų44.90%028%0.275CS..Hα-helixtrans-58.2-35.6176-66.8177.1000112.4F731 Y735 L760 I766 F806 I810 H818F731-L814 HydrophobicContact CE2-CD1 4.28Å; Y735-L814 HydrophobicContact CD1-CB 4.44Å; Y735-L814 HydrophobicContact CE1-CB 3.91Å; L760-L814 HydrophobicContact CD1-CD2 3.78Å; I766-L814 HydrophobicContact CG2-CD2 4.01Å; F806-L814 HydrophobicContact CD1-CD1 4.13Å; F806-L814 HydrophobicContact CE1-CD1 3.74Å; F806-L814 HydrophobicContact CZ-CD1 4.18Å; I810-L814 HydrophobicContact CG2-CD1 4.38Å; I810-L814 PolarHBondContact O-N 2.88Å; I810-L814 VanDerWaalsContact O-N 3.1Å; L814-H818 VanDerWaalsContact O-CB 3.28Å; L814-H818 WeakPolarHBondContact O-CB 3.14Å; L814-H818 PolarHBondContact O-N 2.82Å
815E78.8Confident78.5Confident4 Ų450.9 Ų50.92%0.01930%0.304CS..Hα-helixtrans-78-35179.2-79.2-74.4174.100113.6R140 R734 Y735 M811 A812 C813 H818 N819R140-E815 IonicContact CZ-OE2 3.65Å; R140-E815 IonicContact NH1-OE1 3.97Å; R140-E815 IonicContact NH1-OE2 3.97Å; R140-E815 PolarHBondContact NH1-OE2 2.89Å; R140-E815 IonicContact NH2-OE2 2.71Å; R140-E815 PolarHBondContact NH2-OE2 2.72Å; R734-E815 IonicContact CZ-OE1 2.9Å; R734-E815 IonicContact NE-OE1 2.67Å; R734-E815 PolarHBondContact NE-OE1 2.79Å; R734-E815 IonicContact NH2-OE1 3.15Å; R734-E815 PolarHBondContact NH2-OE1 3.42Å; R734-E815 IonicContact NH2-OE2 2.7Å; Y735-E815 HydrophobicContact CE1-CG 4.32Å; Y735-E815 PolarHBondContact OH-OE1 2.83Å; M811-E815 HydrophobicContact CG-CG 4.41Å; M811-E815 WeakPolarHBondContact O-CB 3.36Å; M811-E815 WeakPolarHBondContact O-CG 3.3Å; M811-E815 PolarHBondContact O-N 3.33Å; M811-E815 VanDerWaalsContact O-N 3.09Å; A812-E815 PolarHBondContact O-N 3.16Å; C813-E815 PolarHBondContact O-N 3.49Å; E815-H818 PolarHBondContact O-N 3.02Å; E815-H818 IonicContact OE2-ND1 2.67Å; E815-N819 VanDerWaalsContact O-CB 3.26Å; E815-N819 WeakPolarHBondContact O-CB 3.29Å; E815-N819 PolarHBondContact O-N 2.71Å; E815-N819 PolarHBondContact O-ND2 3.33Å
816D78.2Confident78.6Confident97 Ų9754.4 Ų54.452%0.51932%0.323SS..Hα-helixtrans-66.5-42.4173.9-70.7-27.9000110.5A812 C813 H818 N819 E820A812-D816 PolarHBondContact O-N 2.78Å; C813-D816 PolarHBondContact O-N 3.21Å; D816-H818 PolarHBondContact O-N 2.82Å; D816-N819 PolarHBondContact O-N 3.32Å; D816-E820 PolarHBondContact O-N 2.93Å
817M82.7Confident78.9Confident58 Ų5859.3 Ų59.329%0.28635%0.349SS..Hα-helixtrans-58.9-44.8170-65.8173.870.100112.1L738 L760 A765 C813 E820 A821L738-M817 HydrophobicContact CD2-CB 3.88Å; L760-M817 HydrophobicContact CD2-CE 3.8Å; A765-M817 HydrophobicContact CB-CE 4.23Å; A765-M817 HydrophobicContact CB-SD 4.31Å; C813-M817 WeakPolarHBondContact O-CG 3.41Å; C813-M817 PolarHBondContact O-N 3.42Å; M817-E820 PolarHBondContact O-N 2.79Å; M817-A821 PolarHBondContact O-N 3.28Å; M817-A821 VanDerWaalsContact O-N 3.09Å
818H85.2Confident79.4Confident27 Ų2758.8 Ų58.813%0.12536%0.359CS..Hα-helixtrans-65.2-40.1177.6164.9-91.8000111.7R734 Y735 L738 L814 E815 D816 A821 M822R734-H818 PolarHBondContact O-CD2 3.48Å; R734-H818 VanDerWaalsContact O-CD2 3.25Å; R734-H818 PolarHBondContact O-NE2 3.47Å; Y735-H818 HydrophobicContact CD1-CB 4.24Å; Y735-H818 HydrophobicContact CE1-CB 4.31Å; L738-H818 HydrophobicContact CD2-CB 4.38Å; L814-H818 VanDerWaalsContact O-CB 3.28Å; L814-H818 WeakPolarHBondContact O-CB 3.14Å; L814-H818 PolarHBondContact O-N 2.82Å; E815-H818 PolarHBondContact O-N 3.02Å; E815-H818 IonicContact OE2-ND1 2.67Å; D816-H818 PolarHBondContact O-N 2.82Å; H818-A821 PolarHBondContact O-N 3.31Å; H818-M822 VanDerWaalsContact O-CB 3.23Å; H818-M822 WeakPolarHBondContact O-CB 3.05Å; H818-M822 VanDerWaalsContact O-CG 3.3Å; H818-M822 WeakPolarHBondContact O-CG 3.36Å; H818-M822 PolarHBondContact O-N 2.95Å
819N83.8Confident80.5Confident51 Ų5160.5 Ų60.527%0.27337%0.365SS..Hα-helixtrans-66.9-36.9176.7-69.1-34.7000111.6R140 E815 D816 S823R140-N819 PolarHBondContact NH2-OD1 2.7Å; E815-N819 VanDerWaalsContact O-CB 3.26Å; E815-N819 WeakPolarHBondContact O-CB 3.29Å; E815-N819 PolarHBondContact O-N 2.71Å; E815-N819 PolarHBondContact O-ND2 3.33Å; D816-N819 PolarHBondContact O-N 3.32Å; N819-S823 WeakPolarHBondContact O-CB 3.11Å; N819-S823 PolarHBondContact O-N 2.98Å; N819-S823 PolarHBondContact O-OG 3.01Å
820E82.9Confident81.5Confident134 Ų13462 Ų6263%0.62636%0.359SS*.Hα-helixtrans-62.9-52.9174.1-171.6174.9-164.500110.6D816 M817 M822 S823 A824D816-E820 PolarHBondContact O-N 2.93Å; M817-E820 PolarHBondContact O-N 2.79Å; E820-M822 PolarHBondContact O-N 3.3Å; E820-S823 PolarHBondContact O-N 3.33Å; E820-A824 PolarHBondContact O-N 3.26Å
821A83.6Confident82.1Confident34 Ų3464.4 Ų64.428%0.28138%0.375SS..Hα-helixtrans-60.6-45.3177.500000112.8I737 M817 H818 S823 A824I737-A821 HydrophobicContact CD1-CB 4.11Å; I737-A821 HydrophobicContact CG1-CB 4.07Å; M817-A821 PolarHBondContact O-N 3.28Å; M817-A821 VanDerWaalsContact O-N 3.09Å; H818-A821 PolarHBondContact O-N 3.31Å; A821-S823 VanDerWaalsContact C-N 3.34Å; A821-S823 PolarHBondContact O-N 2.8Å; A821-A824 PolarHBondContact O-N 2.84Å
822M83.7Confident82.9Confident60 Ų6064.7 Ų64.730%0.29639%0.386SS..Hα-helixtrans-65.5-34176-78.5-67.3-64.500112.5I737 H818 E820 A824 M825 L826I737-M822 HydrophobicContact CD1-CG 3.95Å; I737-M822 HydrophobicContact CD1-SD 3.55Å; I737-M822 VanDerWaalsContact CD1-SD 3.55Å; H818-M822 VanDerWaalsContact O-CB 3.23Å; H818-M822 WeakPolarHBondContact O-CB 3.05Å; H818-M822 VanDerWaalsContact O-CG 3.3Å; H818-M822 WeakPolarHBondContact O-CG 3.36Å; H818-M822 PolarHBondContact O-N 2.95Å; E820-M822 PolarHBondContact O-N 3.3Å; M822-A824 VanDerWaalsContact C-N 3.31Å; M822-A824 PolarHBondContact O-N 3.29Å; M822-M825 PolarHBondContact O-N 2.81Å; M822-L826 HydrophobicContact CB-CD1 4.16Å; M822-L826 HydrophobicContact CE-CD1 4.11Å; M822-L826 HydrophobicContact CE-CD2 4.32Å; M822-L826 HydrophobicContact CE-CG 4.1Å; M822-L826 VanDerWaalsContact O-CB 3.28Å; M822-L826 WeakPolarHBondContact O-CB 2.9Å; M822-L826 VanDerWaalsContact O-CG 3.23Å; M822-L826 WeakPolarHBondContact O-CG 3.25Å; M822-L826 PolarHBondContact O-N 2.8Å
823S85.1Confident84Confident71 Ų7169 Ų6950%0.49740%0.403SS..Hα-helixtrans-63-37.4-178.9-70.20000112.3N819 E820 A821 M825 L826 L827N819-S823 WeakPolarHBondContact O-CB 3.11Å; N819-S823 PolarHBondContact O-N 2.98Å; N819-S823 PolarHBondContact O-OG 3.01Å; E820-S823 PolarHBondContact O-N 3.33Å; A821-S823 VanDerWaalsContact C-N 3.34Å; A821-S823 PolarHBondContact O-N 2.8Å; S823-M825 PolarHBondContact O-N 2.84Å; S823-L826 PolarHBondContact O-N 3.1Å; S823-L827 WeakPolarHBondContact O-CB 3.28Å; S823-L827 PolarHBondContact O-N 2.77Å
824A79.3Confident84.7Confident77 Ų7773.5 Ų73.564%0.63641%0.412SS*.Hα-helixtrans-59.7-44.7174.500000112E820 A821 M822E820-A824 PolarHBondContact O-N 3.26Å; A821-A824 PolarHBondContact O-N 2.84Å; M822-A824 VanDerWaalsContact C-N 3.31Å; M822-A824 PolarHBondContact O-N 3.29Å
825M82.4Confident85.1Confident125 Ų12576.4 Ų76.462%0.61644%0.435SS*.Hα-helixtrans-72.7-44.1177.9-59.1-170.17800112.4I737 M822 S823 L827 G828 V829I737-M825 HydrophobicContact CD1-SD 3.64Å; M822-M825 PolarHBondContact O-N 2.81Å; S823-M825 PolarHBondContact O-N 2.84Å; M825-L827 VanDerWaalsContact C-N 3.29Å; M825-L827 PolarHBondContact O-N 3.47Å; M825-G828 PolarHBondContact O-N 3.4Å; M825-G828 VanDerWaalsContact O-N 3.16Å; M825-V829 PolarHBondContact O-N 3.12Å
826L85.5Confident85.7Confident74 Ų7484.2 Ų84.239%0.38747%0.466SS..Hα-helixtrans-63.9-32.2-178.8-74.3170.7000112.4M822 S823 G828 V829 Q830M822-L826 HydrophobicContact CB-CD1 4.16Å; M822-L826 HydrophobicContact CE-CD1 4.11Å; M822-L826 HydrophobicContact CE-CD2 4.32Å; M822-L826 HydrophobicContact CE-CG 4.1Å; M822-L826 VanDerWaalsContact O-CB 3.28Å; M822-L826 WeakPolarHBondContact O-CB 2.9Å; M822-L826 VanDerWaalsContact O-CG 3.23Å; M822-L826 WeakPolarHBondContact O-CG 3.25Å; M822-L826 PolarHBondContact O-N 2.8Å; S823-L826 PolarHBondContact O-N 3.1Å; L826-G828 VanDerWaalsContact C-N 3.3Å; L826-G828 PolarHBondContact O-N 2.93Å; L826-V829 PolarHBondContact O-N 2.85Å; L826-Q830 WeakPolarHBondContact O-CB 2.92Å; L826-Q830 VanDerWaalsContact O-CG 3.28Å; L826-Q830 WeakPolarHBondContact O-CG 3.05Å; L826-Q830 PolarHBondContact O-N 3.16Å
827L87.7Confident86.2Confident105 Ų10584.8 Ų84.855%0.5547%0.468SS..Hα-helixtrans-61.7-39175.1-177.460.5000111.9S823 M825 T831S823-L827 WeakPolarHBondContact O-CB 3.28Å; S823-L827 PolarHBondContact O-N 2.77Å; M825-L827 VanDerWaalsContact C-N 3.29Å; M825-L827 PolarHBondContact O-N 3.47Å; L827-T831 WeakPolarHBondContact O-CB 3.44Å; L827-T831 PolarHBondContact O-N 3.32Å; L827-T831 PolarHBondContact O-OG1 3.48Å
828G85.7Confident86.5Confident46 Ų4685 Ų8547%0.47448%0.479SS..Hα-helixtrans-62.8-50173.400000112.1M825 L826 T831 A832M825-G828 PolarHBondContact O-N 3.4Å; M825-G828 VanDerWaalsContact O-N 3.16Å; L826-G828 VanDerWaalsContact C-N 3.3Å; L826-G828 PolarHBondContact O-N 2.93Å; G828-T831 PolarHBondContact O-N 3.21Å; G828-A832 PolarHBondContact O-N 2.88Å
829V86.4Confident86.8Confident80 Ų8089.3 Ų89.349%0.48550%0.498SS..Hα-helixtrans-62-46.4178.4179.80000111.5M825 L826 T831 A832 M833M825-V829 PolarHBondContact O-N 3.12Å; L826-V829 PolarHBondContact O-N 2.85Å; V829-T831 VanDerWaalsContact C-N 3.28Å; V829-T831 PolarHBondContact O-N 3.36Å; V829-A832 PolarHBondContact O-N 3.45Å; V829-M833 HydrophobicContact CG1-CG 4.3Å; V829-M833 HydrophobicContact CG1-SD 3.98Å; V829-M833 WeakPolarHBondContact O-CG 2.86Å; V829-M833 PolarHBondContact O-N 2.86Å
830Q85.7Confident87Confident84 Ų8489 Ų8939%0.39350%0.503SS..Hα-helixtrans-60.2-37.6176.3-74.6-17729.400112L826 R834L826-Q830 WeakPolarHBondContact O-CB 2.92Å; L826-Q830 VanDerWaalsContact O-CG 3.28Å; L826-Q830 WeakPolarHBondContact O-CG 3.05Å; L826-Q830 PolarHBondContact O-N 3.16Å; Q830-R834 WeakPolarHBondContact O-CB 3.27Å; Q830-R834 WeakPolarHBondContact O-CG 3.3Å; Q830-R834 PolarHBondContact O-N 2.73Å
831T90.2Very high87.3Confident80 Ų8087.7 Ų87.749%0.49150%0.496SS..Hα-helixtrans-66.5-45177.1-59.60000111L827 G828 V829 R834 A835L827-T831 WeakPolarHBondContact O-CB 3.44Å; L827-T831 PolarHBondContact O-N 3.32Å; L827-T831 PolarHBondContact O-OG1 3.48Å; G828-T831 PolarHBondContact O-N 3.21Å; V829-T831 VanDerWaalsContact C-N 3.28Å; V829-T831 PolarHBondContact O-N 3.36Å; T831-R834 PolarHBondContact O-N 3.34Å; T831-A835 WeakPolarHBondContact O-CB 3.02Å; T831-A835 PolarHBondContact O-N 3.47Å
832A89.7Confident87.7Confident64 Ų6492.8 Ų92.853%0.52951%0.509SS..Hα-helixtrans-62.1-44174.600000112.5G828 V829 A835 Y836G828-A832 PolarHBondContact O-N 2.88Å; V829-A832 PolarHBondContact O-N 3.45Å; A832-A835 PolarHBondContact O-N 3.47Å; A832-Y836 WeakPolarHBondContact O-CB 3.43Å; A832-Y836 PolarHBondContact O-N 2.72Å
833M89.7Confident87.9Confident120 Ų12096.1 Ų96.159%0.59152%0.519SS*.Hα-helixtrans-64.6-42.7176.8-70-180113.500112.4V829 Y836 L837V829-M833 HydrophobicContact CG1-CG 4.3Å; V829-M833 HydrophobicContact CG1-SD 3.98Å; V829-M833 WeakPolarHBondContact O-CG 2.86Å; V829-M833 PolarHBondContact O-N 2.86Å; M833-Y836 PolarHBondContact O-N 2.85Å; M833-L837 WeakPolarHBondContact O-CB 3.2Å; M833-L837 WeakPolarHBondContact O-CG 3.09Å; M833-L837 PolarHBondContact O-N 3.45Å
834R90.1Very high88.1Confident153 Ų15399.1 Ų99.158%0.57752%0.52SS*.Hα-helixtrans-63.5-41.4174.8-74.2172.8-170159.610.5111.5Q830 T831 L837 A838Q830-R834 WeakPolarHBondContact O-CB 3.27Å; Q830-R834 WeakPolarHBondContact O-CG 3.3Å; Q830-R834 PolarHBondContact O-N 2.73Å; T831-R834 PolarHBondContact O-N 3.34Å; R834-L837 PolarHBondContact O-N 3.01Å; R834-A838 VanDerWaalsContact O-CB 3.24Å; R834-A838 WeakPolarHBondContact O-CB 2.9Å; R834-A838 PolarHBondContact O-N 3.35Å
835A90.7Very high88.5Confident60 Ų60100 Ų10050%0.49651%0.51SS..Hα-helixtrans-63.6-41.9175.100000112T831 A832 K839T831-A835 WeakPolarHBondContact O-CB 3.02Å; T831-A835 PolarHBondContact O-N 3.47Å; A832-A835 PolarHBondContact O-N 3.47Å; A835-K839 VanDerWaalsContact O-CB 3.29Å; A835-K839 WeakPolarHBondContact O-CB 3.35Å; A835-K839 PolarHBondContact O-N 2.87Å
836Y91.3Very high88.9Confident168 Ų16898.7 Ų98.766%0.65950%0.5SS*.Hα-helixtrans-62.4-49174.6177.9-97.4000112.2A832 M833 A838 K839 A840A832-Y836 WeakPolarHBondContact O-CB 3.43Å; A832-Y836 PolarHBondContact O-N 2.72Å; M833-Y836 PolarHBondContact O-N 2.85Å; Y836-A838 PolarHBondContact O-N 2.98Å; Y836-K839 PolarHBondContact O-N 2.77Å; Y836-A840 WeakPolarHBondContact O-CB 2.91Å; Y836-A840 PolarHBondContact O-N 3.04Å
837L89.1Confident88.9Confident109 Ų109103 Ų10357%0.57152%0.516SS*.Hα-helixtrans-62-43.5177.5-72.3170.9000111.9M833 R834 K839 A840 E841M833-L837 WeakPolarHBondContact O-CB 3.2Å; M833-L837 WeakPolarHBondContact O-CG 3.09Å; M833-L837 PolarHBondContact O-N 3.45Å; R834-L837 PolarHBondContact O-N 3.01Å; L837-K839 VanDerWaalsContact C-N 3.33Å; L837-K839 PolarHBondContact O-N 2.9Å; L837-A840 PolarHBondContact O-N 2.89Å; L837-E841 WeakPolarHBondContact O-CB 2.79Å; L837-E841 PolarHBondContact O-N 3.42Å
838A89.8Confident89Confident62 Ų62102.4 Ų102.451%0.51251%0.51SS..Hα-helixtrans-62.4-38.7175.100000112.1R834 Y836 Y842R834-A838 VanDerWaalsContact O-CB 3.24Å; R834-A838 WeakPolarHBondContact O-CB 2.9Å; R834-A838 PolarHBondContact O-N 3.35Å; Y836-A838 PolarHBondContact O-N 2.98Å; A838-Y842 WeakPolarHBondContact O-CB 3.33Å; A838-Y842 PolarHBondContact O-N 2.92Å
839K90.5Very high89.3Confident119 Ų119104.9 Ų104.952%0.51751%0.511SS..Hα-helixtrans-67.4-40.1175.2-167.6-179.7-175.3-176.40111.9A835 Y836 L837 Y842 Y843A835-K839 VanDerWaalsContact O-CB 3.29Å; A835-K839 WeakPolarHBondContact O-CB 3.35Å; A835-K839 PolarHBondContact O-N 2.87Å; Y836-K839 PolarHBondContact O-N 2.77Å; L837-K839 VanDerWaalsContact C-N 3.33Å; L837-K839 PolarHBondContact O-N 2.9Å; K839-Y842 PolarHBondContact O-N 3.21Å; K839-Y843 HydrophobicContact CD-CE2 4.15Å; K839-Y843 VanDerWaalsContact CE-OH 3.25Å; K839-Y843 WeakPolarHBondContact CE-OH 3.04Å; K839-Y843 HydrophobicContact CG-CD2 4.18Å; K839-Y843 HydrophobicContact CG-CE2 3.66Å; K839-Y843 WeakPolarHBondContact O-CD2 3.31Å; K839-Y843 PolarHBondContact O-N 2.85Å
840A87.3Confident89.3Confident45 Ų45104.6 Ų104.637%0.37251%0.507SS..Hα-helixtrans-66.3-45.9175.100000111.9Y836 L837 Y842 Y843 R844Y836-A840 WeakPolarHBondContact O-CB 2.91Å; Y836-A840 PolarHBondContact O-N 3.04Å; L837-A840 PolarHBondContact O-N 2.89Å; A840-Y842 VanDerWaalsContact C-N 3.32Å; A840-Y842 PolarHBondContact O-N 3.18Å; A840-Y843 PolarHBondContact O-N 3.32Å; A840-R844 PolarHBondContact O-N 2.85Å
841E90.1Very high89.4Confident105 Ų105103.3 Ų103.349%0.49151%0.511SS..Hα-helixtrans-60-40.5171.7-88.3-158.1-153.200112.3L837 R844 K845L837-E841 WeakPolarHBondContact O-CB 2.79Å; L837-E841 PolarHBondContact O-N 3.42Å; E841-R844 WeakPolarHBondContact O-CB 3.08Å; E841-R844 PolarHBondContact O-N 3.49Å; E841-K845 WeakPolarHBondContact O-CB 3.29Å; E841-K845 WeakPolarHBondContact O-CG 2.87Å; E841-K845 PolarHBondContact O-N 2.64Å; E841-K845 WeakPolarHBondContact OE2-CE 3.38Å; E841-K845 IonicContact OE2-NZ 3.92Å; E841-K845 PolarHBondContact OE2-NZ 2.92Å
842Y90.8Very high89.4Confident141 Ų141102 Ų10255%0.55351%0.505SS*.Hα-helixtrans-61.6-45.9176.1170.8-94.9000111.4A838 K839 A840 R844 K845 K846A838-Y842 WeakPolarHBondContact O-CB 3.33Å; A838-Y842 PolarHBondContact O-N 2.92Å; K839-Y842 PolarHBondContact O-N 3.21Å; A840-Y842 VanDerWaalsContact C-N 3.32Å; A840-Y842 PolarHBondContact O-N 3.18Å; Y842-R844 VanDerWaalsContact C-N 3.34Å; Y842-R844 PolarHBondContact O-N 2.89Å; Y842-K845 PolarHBondContact O-N 2.79Å; Y842-K846 VanDerWaalsContact O-CB 3.32Å; Y842-K846 WeakPolarHBondContact O-CB 3.06Å; Y842-K846 PolarHBondContact O-N 3.05Å
843Y89Confident89.4Confident130 Ų130103.5 Ų103.551%0.5150%0.503SS..Hα-helixtrans-65.1-36174.8-69.9-51.2000112.7K839 A840 K846 K847K839-Y843 HydrophobicContact CD-CE2 4.15Å; K839-Y843 VanDerWaalsContact CE-OH 3.25Å; K839-Y843 WeakPolarHBondContact CE-OH 3.04Å; K839-Y843 HydrophobicContact CG-CD2 4.18Å; K839-Y843 HydrophobicContact CG-CE2 3.66Å; K839-Y843 WeakPolarHBondContact O-CD2 3.31Å; K839-Y843 PolarHBondContact O-N 2.85Å; A840-Y843 PolarHBondContact O-N 3.32Å; Y843-K846 PolarHBondContact O-N 3.27Å; Y843-K847 PolarHBondContact O-N 3.43Å
844R88.4Confident89.4Confident134 Ų134102.8 Ų102.851%0.50650%0.501SS..Hα-helixtrans-62.2-51174.1-157.4-172.777.268.921.8110.8A840 E841 Y842 K846 K847 E848A840-R844 PolarHBondContact O-N 2.85Å; E841-R844 WeakPolarHBondContact O-CB 3.08Å; E841-R844 PolarHBondContact O-N 3.49Å; Y842-R844 VanDerWaalsContact C-N 3.34Å; Y842-R844 PolarHBondContact O-N 2.89Å; R844-K846 VanDerWaalsContact C-N 3.33Å; R844-K846 PolarHBondContact O-N 3.24Å; R844-K847 PolarHBondContact O-N 2.87Å; R844-E848 IonicContact CZ-OE1 2.69Å; R844-E848 IonicContact CZ-OE2 3.55Å; R844-E848 IonicContact NH1-OE1 3.17Å; R844-E848 PolarHBondContact NH1-OE1 3.36Å; R844-E848 IonicContact NH1-OE2 3.66Å; R844-E848 VanDerWaalsContact NH2-CD 3.28Å; R844-E848 IonicContact NH2-OE1 2.63Å; R844-E848 PolarHBondContact NH2-OE1 3.41Å; R844-E848 IonicContact NH2-OE2 2.68Å; R844-E848 PolarHBondContact NH2-OE2 3.44Å; R844-E848 WeakPolarHBondContact O-CG 2.99Å; R844-E848 PolarHBondContact O-N 3.33Å
845K89.3Confident89.4Confident97 Ų97100.7 Ų100.742%0.42250%0.501SS..Hα-helixtrans-63.5-34.9176.3-72.8169.5-174160.60112.2E841 Y842 E848 I849E841-K845 WeakPolarHBondContact O-CB 3.29Å; E841-K845 WeakPolarHBondContact O-CG 2.87Å; E841-K845 PolarHBondContact O-N 2.64Å; E841-K845 WeakPolarHBondContact OE2-CE 3.38Å; E841-K845 IonicContact OE2-NZ 3.92Å; E841-K845 PolarHBondContact OE2-NZ 2.92Å; Y842-K845 PolarHBondContact O-N 2.79Å; K845-E848 WeakPolarHBondContact CA-OE2 3.34Å; K845-E848 PolarHBondContact O-N 3.35Å; K845-I849 WeakPolarHBondContact O-CB 3.43Å; K845-I849 WeakPolarHBondContact O-CD1 3.43Å; K845-I849 VanDerWaalsContact O-CG1 3.23Å; K845-I849 WeakPolarHBondContact O-CG1 3.03Å; K845-I849 PolarHBondContact O-N 2.94Å
846K89.5Confident89.3Confident97 Ų97103.4 Ų103.442%0.42250%0.503SS..Hα-helixtrans-63.5-47.6173.5-174.6177.3176.8-179.10111.1Y842 Y843 R844 E848 I849 D850Y842-K846 VanDerWaalsContact O-CB 3.32Å; Y842-K846 WeakPolarHBondContact O-CB 3.06Å; Y842-K846 PolarHBondContact O-N 3.05Å; Y843-K846 PolarHBondContact O-N 3.27Å; R844-K846 VanDerWaalsContact C-N 3.33Å; R844-K846 PolarHBondContact O-N 3.24Å; K846-E848 VanDerWaalsContact C-N 3.29Å; K846-E848 PolarHBondContact O-N 2.92Å; K846-I849 PolarHBondContact O-N 2.92Å; K846-I849 VanDerWaalsContact O-N 3.13Å; K846-D850 WeakPolarHBondContact O-CB 3.24Å; K846-D850 VanDerWaalsContact O-CG 3.27Å; K846-D850 PolarHBondContact O-N 3.25Å
847K86.2Confident89.3Confident165 Ų165104.6 Ų104.672%0.71751%0.506SS*.Hα-helixtrans-58.7-40.3173.4-73.3-173.7175.7-171.20112Y843 R844 A851Y843-K847 PolarHBondContact O-N 3.43Å; R844-K847 PolarHBondContact O-N 2.87Å; K847-A851 VanDerWaalsContact O-CB 3.25Å; K847-A851 WeakPolarHBondContact O-CB 3.04Å; K847-A851 PolarHBondContact O-N 3.48Å
848E89.1Confident89.4Confident91 Ų91104.1 Ų104.143%0.42550%0.504SS..Hα-helixtrans-63.1-40174.2-69.5172.4145.800112.5R844 K845 K846 S852R844-E848 IonicContact CZ-OE1 2.69Å; R844-E848 IonicContact CZ-OE2 3.55Å; R844-E848 IonicContact NH1-OE1 3.17Å; R844-E848 PolarHBondContact NH1-OE1 3.36Å; R844-E848 IonicContact NH1-OE2 3.66Å; R844-E848 VanDerWaalsContact NH2-CD 3.28Å; R844-E848 IonicContact NH2-OE1 2.63Å; R844-E848 PolarHBondContact NH2-OE1 3.41Å; R844-E848 IonicContact NH2-OE2 2.68Å; R844-E848 PolarHBondContact NH2-OE2 3.44Å; R844-E848 WeakPolarHBondContact O-CG 2.99Å; R844-E848 PolarHBondContact O-N 3.33Å; K845-E848 WeakPolarHBondContact CA-OE2 3.34Å; K845-E848 PolarHBondContact O-N 3.35Å; K846-E848 VanDerWaalsContact C-N 3.29Å; K846-E848 PolarHBondContact O-N 2.92Å; E848-S852 WeakPolarHBondContact O-CB 2.98Å; E848-S852 PolarHBondContact O-N 2.93Å
849I91.9Very high89.4Confident98 Ų98104.4 Ų104.450%0.50350%0.5SS..Hα-helixtrans-69.4-48176.9-71162.1000111.3K845 K846 A851 S852 I853K845-I849 WeakPolarHBondContact O-CB 3.43Å; K845-I849 WeakPolarHBondContact O-CD1 3.43Å; K845-I849 VanDerWaalsContact O-CG1 3.23Å; K845-I849 WeakPolarHBondContact O-CG1 3.03Å; K845-I849 PolarHBondContact O-N 2.94Å; K846-I849 PolarHBondContact O-N 2.92Å; K846-I849 VanDerWaalsContact O-N 3.13Å; I849-A851 VanDerWaalsContact C-N 3.31Å; I849-A851 PolarHBondContact O-N 3.15Å; I849-S852 CarbonylContact O-C 3.59Å; I849-S852 WeakPolarHBondContact O-CA 3.31Å; I849-S852 WeakPolarHBondContact O-CB 3.07Å; I849-S852 PolarHBondContact O-N 3.43Å; I849-S852 VanDerWaalsContact O-N 3.08Å; I849-I853 HydrophobicContact CG2-CD1 3.95Å; I849-I853 WeakPolarHBondContact O-CG1 3.44Å; I849-I853 PolarHBondContact O-N 2.88Å
850D86.3Confident89.4Confident74 Ų74105.2 Ų105.240%0.39650%0.503SS..Hα-helixtrans-60.2-43.2179.1-66.7-24000110.4K846 I853 I854K846-D850 WeakPolarHBondContact O-CB 3.24Å; K846-D850 VanDerWaalsContact O-CG 3.27Å; K846-D850 PolarHBondContact O-N 3.25Å; D850-I853 PolarHBondContact O-N 3.45Å; D850-I854 WeakPolarHBondContact O-CG1 3.28Å; D850-I854 PolarHBondContact O-N 2.88Å
851A88.7Confident89.5Confident57 Ų57110.5 Ų110.547%0.47151%0.513SS..Hα-helixtrans-65.4-38.8172.600000112.8K847 I849 I854 L855K847-A851 VanDerWaalsContact O-CB 3.25Å; K847-A851 WeakPolarHBondContact O-CB 3.04Å; K847-A851 PolarHBondContact O-N 3.48Å; I849-A851 VanDerWaalsContact C-N 3.31Å; I849-A851 PolarHBondContact O-N 3.15Å; A851-I854 PolarHBondContact O-N 3.5Å; A851-L855 WeakPolarHBondContact O-CB 2.97Å; A851-L855 PolarHBondContact O-N 3.42Å
852S89.7Confident89.3Confident52 Ų52112 Ų11236%0.36451%0.514SS..Hα-helixtrans-63.3-39.4175.6-174.30000112E848 I849 L855 Q856E848-S852 WeakPolarHBondContact O-CB 2.98Å; E848-S852 PolarHBondContact O-N 2.93Å; I849-S852 CarbonylContact O-C 3.59Å; I849-S852 WeakPolarHBondContact O-CA 3.31Å; I849-S852 WeakPolarHBondContact O-CB 3.07Å; I849-S852 PolarHBondContact O-N 3.43Å; I849-S852 VanDerWaalsContact O-N 3.08Å; S852-L855 PolarHBondContact O-N 3.4Å; S852-Q856 WeakPolarHBondContact O-CB 3.42Å; S852-Q856 WeakPolarHBondContact O-CG 3.45Å; S852-Q856 PolarHBondContact O-N 3.46Å; S852-Q856 PolarHBondContact OG-NE2 3.32Å; S852-Q856 VanDerWaalsContact OG-NE2 3.15Å
853I90.6Very high89.2Confident96 Ų96108.8 Ų108.849%0.49251%0.507SS..Hα-helixtrans-63.9-42.5175.5-68.2164.4000110.9I849 D850 Q856 R857I849-I853 HydrophobicContact CG2-CD1 3.95Å; I849-I853 WeakPolarHBondContact O-CG1 3.44Å; I849-I853 PolarHBondContact O-N 2.88Å; D850-I853 PolarHBondContact O-N 3.45Å; I853-Q856 PolarHBondContact O-N 3.39Å; I853-R857 WeakPolarHBondContact O-CB 3.06Å; I853-R857 PolarHBondContact O-N 2.85Å
854I88.6Confident89.1Confident106 Ų106107.3 Ų107.354%0.54450%0.504SS..Hα-helixtrans-62.8-44.8174.5-65.5165.9000110.6D850 A851 R857 N858D850-I854 WeakPolarHBondContact O-CG1 3.28Å; D850-I854 PolarHBondContact O-N 2.88Å; A851-I854 PolarHBondContact O-N 3.5Å; I854-R857 PolarHBondContact O-N 2.86Å; I854-N858 PolarHBondContact O-N 2.85Å
855L90.3Very high89.1Confident109 Ų109103.5 Ų103.557%0.57149%0.494SS*.Hα-helixtrans-65.3-41.2178.5-170.6146.9000111.8A851 S852 N858 V859A851-L855 WeakPolarHBondContact O-CB 2.97Å; A851-L855 PolarHBondContact O-N 3.42Å; S852-L855 PolarHBondContact O-N 3.4Å; L855-N858 PolarHBondContact O-N 2.93Å; L855-V859 HydrophobicContact CD2-CG2 3.88Å; L855-V859 WeakPolarHBondContact O-CB 3.23Å; L855-V859 VanDerWaalsContact O-CG2 3.32Å; L855-V859 WeakPolarHBondContact O-CG2 3.47Å; L855-V859 PolarHBondContact O-N 3.45Å
856Q89.6Confident88.8Confident117 Ų117103.7 Ų103.755%0.54749%0.492SS..Hα-helixtrans-61.3-43.5173.6-74.3171.632.600111.9S852 I853 N858 V859 K860S852-Q856 WeakPolarHBondContact O-CB 3.42Å; S852-Q856 WeakPolarHBondContact O-CG 3.45Å; S852-Q856 PolarHBondContact O-N 3.46Å; S852-Q856 PolarHBondContact OG-NE2 3.32Å; S852-Q856 VanDerWaalsContact OG-NE2 3.15Å; I853-Q856 PolarHBondContact O-N 3.39Å; Q856-N858 VanDerWaalsContact C-N 3.32Å; Q856-N858 PolarHBondContact O-N 3.42Å; Q856-V859 PolarHBondContact O-N 2.6Å; Q856-K860 WeakPolarHBondContact O-CB 3.21Å; Q856-K860 PolarHBondContact O-N 3.32Å
857R91.3Very high88.5Confident192 Ų192105 Ų10573%0.72550%0.499SS*.Hα-helixtrans-59.6-42.8174.4180177175.1171.3-1.8111.5I853 I854 R861I853-R857 WeakPolarHBondContact O-CB 3.06Å; I853-R857 PolarHBondContact O-N 2.85Å; I854-R857 PolarHBondContact O-N 2.86Å; R857-R861 PolarHBondContact O-N 3.09Å
858N90.8Very high88.5Confident100 Ų100104 Ų10454%0.53549%0.491SS..Hα-helixtrans-69.7-42.8178.3-71.2-15.1000112.5I854 L855 Q856 R861 W862I854-N858 PolarHBondContact O-N 2.85Å; L855-N858 PolarHBondContact O-N 2.93Å; Q856-N858 VanDerWaalsContact C-N 3.32Å; Q856-N858 PolarHBondContact O-N 3.42Å; N858-R861 PolarHBondContact O-N 2.82Å; N858-W862 WeakPolarHBondContact O-CB 3.27Å; N858-W862 PolarHBondContact O-N 3.42Å
859V89.8Confident88.3Confident68 Ų68107.2 Ų107.241%0.41251%0.506SS..Hα-helixtrans-63.8-41.2174.9169.50000111.1L855 Q856 W862 L863L855-V859 HydrophobicContact CD2-CG2 3.88Å; L855-V859 WeakPolarHBondContact O-CB 3.23Å; L855-V859 VanDerWaalsContact O-CG2 3.32Å; L855-V859 WeakPolarHBondContact O-CG2 3.47Å; L855-V859 PolarHBondContact O-N 3.45Å; Q856-V859 PolarHBondContact O-N 2.6Å; V859-W862 PolarHBondContact O-N 2.85Å; V859-L863 HydrophobicContact CG1-CD1 4.19Å; V859-L863 HydrophobicContact CG1-CG 4.48Å; V859-L863 WeakPolarHBondContact O-CG 3.46Å; V859-L863 PolarHBondContact O-N 2.88Å
860K90.8Very high88.1Confident136 Ų136110.9 Ų110.959%0.59151%0.513SS*.Hα-helixtrans-60.4-49.5174.3-175.1179.8176-1770111.2Q856 W862 L863 E864Q856-K860 WeakPolarHBondContact O-CB 3.21Å; Q856-K860 PolarHBondContact O-N 3.32Å; K860-W862 VanDerWaalsContact C-N 3.28Å; K860-W862 PolarHBondContact O-N 3.21Å; K860-L863 PolarHBondContact O-N 3.11Å; K860-L863 VanDerWaalsContact O-N 3.15Å; K860-E864 WeakPolarHBondContact CE-OE1 3.29Å; K860-E864 WeakPolarHBondContact O-CG 3.47Å; K860-E864 PolarHBondContact O-N 2.89Å
861R88.1Confident88Confident155 Ų155110.4 Ų110.459%0.58551%0.508SS*.Hα-helixtrans-59-35.8174.1-86.8-75.4-175.5148.21.6112.8R857 N858 E864 L865R857-R861 PolarHBondContact O-N 3.09Å; N858-R861 PolarHBondContact O-N 2.82Å; R861-E864 WeakPolarHBondContact CD-OE2 3.18Å; R861-E864 IonicContact NE-OE2 2.58Å; R861-L865 VanDerWaalsContact O-CB 3.28Å; R861-L865 WeakPolarHBondContact O-CB 3.45Å; R861-L865 WeakPolarHBondContact O-CG 3.48Å; R861-L865 PolarHBondContact O-N 3.48Å
862W87.2Confident87.7Confident136 Ų136110.3 Ų110.352%0.51550%0.504SS..Hα-helixtrans-68.9-40174.4177.482.2000112.7N858 V859 K860 E864 L865 R866N858-W862 WeakPolarHBondContact O-CB 3.27Å; N858-W862 PolarHBondContact O-N 3.42Å; V859-W862 PolarHBondContact O-N 2.85Å; K860-W862 VanDerWaalsContact C-N 3.28Å; K860-W862 PolarHBondContact O-N 3.21Å; W862-E864 VanDerWaalsContact C-N 3.32Å; W862-E864 PolarHBondContact O-N 3.33Å; W862-L865 PolarHBondContact O-N 3.25Å; W862-R866 VanDerWaalsContact CH2-NH1 3.28Å; W862-R866 VanDerWaalsContact CZ3-NH1 3.26Å; W862-R866 VanDerWaalsContact O-CB 3.27Å; W862-R866 WeakPolarHBondContact O-CB 3.46Å; W862-R866 WeakPolarHBondContact O-CG 3.27Å; W862-R866 PolarHBondContact O-N 3.46Å
863L88.5Confident87.5Confident75 Ų75111.8 Ų111.839%0.39351%0.507SS..Hα-helixtrans-64.2-35.9175-70.8171.2000112.3V859 K860 H867V859-L863 HydrophobicContact CG1-CD1 4.19Å; V859-L863 HydrophobicContact CG1-CG 4.48Å; V859-L863 WeakPolarHBondContact O-CG 3.46Å; V859-L863 PolarHBondContact O-N 2.88Å; K860-L863 PolarHBondContact O-N 3.11Å; K860-L863 VanDerWaalsContact O-N 3.15Å; L863-H867 PolarHBondContact O-CD2 3.13Å
864E87Confident87.3Confident98 Ų98112.9 Ų112.946%0.45851%0.506SS..Hα-helixtrans-67.2-51.5171.5-68.7162.6-17700111.2K860 R861 W862K860-E864 WeakPolarHBondContact CE-OE1 3.29Å; K860-E864 WeakPolarHBondContact O-CG 3.47Å; K860-E864 PolarHBondContact O-N 2.89Å; R861-E864 WeakPolarHBondContact CD-OE2 3.18Å; R861-E864 IonicContact NE-OE2 2.58Å; W862-E864 VanDerWaalsContact C-N 3.32Å; W862-E864 PolarHBondContact O-N 3.33Å
865L87Confident86.8Confident54 Ų54110.3 Ų110.328%0.28350%0.5SS..Hα-helixtrans-71.7-36.9-173.8-73.3169.3000114.1R861 W862 H867 W868 F871R861-L865 VanDerWaalsContact O-CB 3.28Å; R861-L865 WeakPolarHBondContact O-CB 3.45Å; R861-L865 WeakPolarHBondContact O-CG 3.48Å; R861-L865 PolarHBondContact O-N 3.48Å; W862-L865 PolarHBondContact O-N 3.25Å; L865-H867 PolarHBondContact O-N 3.34Å; L865-W868 HydrophobicContact CD2-CE3 3.79Å; L865-W868 HydrophobicContact CD2-CZ3 4.25Å; L865-W868 WeakPolarHBondContact O-CB 3.14Å; L865-W868 PolarHBondContact O-N 2.66Å; L865-F871 HydrophobicContact CB-CD1 4.42Å; L865-F871 HydrophobicContact CB-CD2 4.23Å; L865-F871 HydrophobicContact CB-CE2 4.49Å; L865-F871 HydrophobicContact CB-CG 4.19Å; L865-F871 HydrophobicContact CD2-CD2 4.48Å; L865-F871 VanDerWaalsContact O-CB 3.26Å; L865-F871 WeakPolarHBondContact O-CB 3.48Å; L865-F871 WeakPolarHBondContact O-CD1 3.48Å; L865-F871 WeakPolarHBondContact O-CG 3.12Å
866R84Confident86.6Confident102 Ų102114.6 Ų114.639%0.38551%0.509SS..THydrogen-bonded Turntrans-61-22.9-173.273.9-176.9-165.6169.66.4114.4W862W862-R866 VanDerWaalsContact CH2-NH1 3.28Å; W862-R866 VanDerWaalsContact CZ3-NH1 3.26Å; W862-R866 VanDerWaalsContact O-CB 3.27Å; W862-R866 WeakPolarHBondContact O-CB 3.46Å; W862-R866 WeakPolarHBondContact O-CG 3.27Å; W862-R866 PolarHBondContact O-N 3.46Å
867H82.9Confident86.3Confident125 Ų125112.4 Ų112.458%0.57950%0.5SS*.THydrogen-bonded Turntrans-97.5-12.4178.4-63.7-57.3000112.8L863 L865 H869L863-H867 PolarHBondContact O-CD2 3.13Å; L865-H867 PolarHBondContact O-N 3.34Å; H867-H869 PolarHBondContact O-N 3.27Å; H867-H869 PolarHBondContact O-ND1 2.93Å
868W87.4Confident85.6Confident143 Ų143108.1 Ų108.154%0.54249%0.487SS..  trans-70.5124.6179.9-170.940000110.1L865 W870 F871 S872L865-W868 HydrophobicContact CD2-CE3 3.79Å; L865-W868 HydrophobicContact CD2-CZ3 4.25Å; L865-W868 WeakPolarHBondContact O-CB 3.14Å; L865-W868 PolarHBondContact O-N 2.66Å; W868-W870 VanDerWaalsContact C-N 3.29Å; W868-W870 HydrophobicContact CD2-CB 3.99Å; W868-W870 AromaticContact CE2-CD1 3.97Å; W868-W870 HydrophobicContact CE3-CB 4.24Å; W868-W870 HydrophobicContact CH2-CB 4.15Å; W868-W870 HydrophobicContact CZ2-CB 3.91Å; W868-W870 AromaticContact CZ2-CD1 3.93Å; W868-W870 HydrophobicContact CZ2-CG 4.21Å; W868-W870 HydrophobicContact CZ3-CB 4.31Å; W868-W870 AromaticContact NE1-CD1 3.91Å; W868-W870 PolarHBondContact O-N 2.57Å; W868-F871 HydrophobicContact CB-CB 4.18Å; W868-F871 HydrophobicContact CE3-CB 4.08Å; W868-F871 WeakPolarHBondContact O-CA 3.14Å; W868-F871 WeakPolarHBondContact O-CB 3.44Å; W868-F871 PolarHBondContact O-N 2.79Å; W868-S872 PolarHBondContact O-N 3.45Å
869H84.3Confident84.8Confident158 Ų158107.3 Ų107.373%0.73149%0.487SS*.Hα-helixtrans-64.8-34.3-170.2-67.926.1000112.4H867 F871 S872 L873H867-H869 PolarHBondContact O-N 3.27Å; H867-H869 PolarHBondContact O-ND1 2.93Å; H869-F871 VanDerWaalsContact C-N 3.35Å; H869-S872 PolarHBondContact O-N 2.95Å; H869-L873 WeakPolarHBondContact O-CB 3.39Å; H869-L873 PolarHBondContact O-N 3.15Å
870W86.7Confident84.3Confident175 Ų175110.7 Ų110.766%0.66350%0.502SS*.Hα-helixtrans-63.2-37171.3-77.4111.3000112.9W868 L873 Y874W868-W870 VanDerWaalsContact C-N 3.29Å; W868-W870 HydrophobicContact CD2-CB 3.99Å; W868-W870 AromaticContact CE2-CD1 3.97Å; W868-W870 HydrophobicContact CE3-CB 4.24Å; W868-W870 HydrophobicContact CH2-CB 4.15Å; W868-W870 HydrophobicContact CZ2-CB 3.91Å; W868-W870 AromaticContact CZ2-CD1 3.93Å; W868-W870 HydrophobicContact CZ2-CG 4.21Å; W868-W870 HydrophobicContact CZ3-CB 4.31Å; W868-W870 AromaticContact NE1-CD1 3.91Å; W868-W870 PolarHBondContact O-N 2.57Å; W870-L873 HydrophobicContact CE3-CD2 4.12Å; W870-L873 HydrophobicContact CZ3-CD2 4.01Å; W870-L873 PolarHBondContact O-N 3Å; W870-Y874 WeakPolarHBondContact O-CB 3.35Å; W870-Y874 PolarHBondContact O-N 3.27Å
871F85.5Confident83.4Confident65 Ų65109.2 Ų109.229%0.28550%0.5SS..Hα-helixtrans-69.4-41.2175-173.2-98.4000111.6L865 W868 H869 L873 Y874 A875L865-F871 HydrophobicContact CB-CD1 4.42Å; L865-F871 HydrophobicContact CB-CD2 4.23Å; L865-F871 HydrophobicContact CB-CE2 4.49Å; L865-F871 HydrophobicContact CB-CG 4.19Å; L865-F871 HydrophobicContact CD2-CD2 4.48Å; L865-F871 VanDerWaalsContact O-CB 3.26Å; L865-F871 WeakPolarHBondContact O-CB 3.48Å; L865-F871 WeakPolarHBondContact O-CD1 3.48Å; L865-F871 WeakPolarHBondContact O-CG 3.12Å; W868-F871 HydrophobicContact CB-CB 4.18Å; W868-F871 HydrophobicContact CE3-CB 4.08Å; W868-F871 WeakPolarHBondContact O-CA 3.14Å; W868-F871 WeakPolarHBondContact O-CB 3.44Å; W868-F871 PolarHBondContact O-N 2.79Å; H869-F871 VanDerWaalsContact C-N 3.35Å; F871-L873 VanDerWaalsContact C-N 3.32Å; F871-L873 PolarHBondContact O-N 3.21Å; F871-Y874 PolarHBondContact O-N 3.01Å; F871-A875 VanDerWaalsContact O-CB 3.23Å; F871-A875 WeakPolarHBondContact O-CB 3.05Å; F871-A875 PolarHBondContact O-N 2.8Å
872S82.1Confident82.3Confident55 Ų55104.3 Ų104.339%0.38549%0.489SS..Hα-helixtrans-61.4-37.8173.5-72.20000113W868 H869 R876W868-S872 PolarHBondContact O-N 3.45Å; H869-S872 PolarHBondContact O-N 2.95Å; S872-R876 WeakPolarHBondContact O-CG 3.44Å; S872-R876 PolarHBondContact O-N 3Å
873L85.8Confident81.5Confident82 Ų82104.5 Ų104.543%0.42950%0.496SS..Hα-helixtrans-69.4-49.3173.7-178.461000111.3H869 W870 F871 A875 R876 I877H869-L873 WeakPolarHBondContact O-CB 3.39Å; H869-L873 PolarHBondContact O-N 3.15Å; W870-L873 HydrophobicContact CE3-CD2 4.12Å; W870-L873 HydrophobicContact CZ3-CD2 4.01Å; W870-L873 PolarHBondContact O-N 3Å; F871-L873 VanDerWaalsContact C-N 3.32Å; F871-L873 PolarHBondContact O-N 3.21Å; L873-A875 VanDerWaalsContact C-N 3.32Å; L873-A875 PolarHBondContact O-N 2.85Å; L873-R876 PolarHBondContact O-N 2.95Å; L873-I877 HydrophobicContact CD1-CD1 3.83Å; L873-I877 HydrophobicContact CD1-CG1 4.33Å; L873-I877 HydrophobicContact CG-CD1 3.81Å; L873-I877 WeakPolarHBondContact O-CG1 2.8Å; L873-I877 PolarHBondContact O-N 3.33Å
874Y85.1Confident80.4Confident120 Ų120104.5 Ų104.547%0.47151%0.507SS..Hα-helixtrans-58.2-41.4177.1174.5-110.8000112.3W870 F871 R876 I877 K878W870-Y874 WeakPolarHBondContact O-CB 3.35Å; W870-Y874 PolarHBondContact O-N 3.27Å; F871-Y874 PolarHBondContact O-N 3.01Å; Y874-R876 VanDerWaalsContact C-N 3.26Å; Y874-R876 PolarHBondContact O-N 2.89Å; Y874-I877 PolarHBondContact O-N 3.23Å; Y874-I877 VanDerWaalsContact O-N 3.16Å; Y874-K878 HydrophobicContact CE1-CD 4.08Å; Y874-K878 WeakPolarHBondContact O-CB 3.35Å; Y874-K878 PolarHBondContact O-N 2.66Å; Y874-K878 PolarHBondContact OH-NZ 3.12Å
875A79.7Confident79.4Confident51 Ų51105 Ų10542%0.42151%0.508SS..Hα-helixtrans-64.4-27.5176.700000113.2F871 L873 P879F871-A875 VanDerWaalsContact O-CB 3.23Å; F871-A875 WeakPolarHBondContact O-CB 3.05Å; F871-A875 PolarHBondContact O-N 2.8Å; L873-A875 VanDerWaalsContact C-N 3.32Å; L873-A875 PolarHBondContact O-N 2.85Å; A875-P879 VanDerWaalsContact O-CD 3.26Å; A875-P879 WeakPolarHBondContact O-CD 3.39Å
876R84.1Confident78.6Confident200 Ų200107.6 Ų107.676%0.75552%0.518SS*.Hα-helixtrans-82.4-29.7172.3-70.2177.3179.4-172.30.4113.2S872 L873 Y874S872-R876 WeakPolarHBondContact O-CG 3.44Å; S872-R876 PolarHBondContact O-N 3Å; L873-R876 PolarHBondContact O-N 2.95Å; Y874-R876 VanDerWaalsContact C-N 3.26Å; Y874-R876 PolarHBondContact O-N 2.89Å
877I84.4Confident78.2Confident71 Ų71107.4 Ų107.436%0.36452%0.524SS..Hα-helixtrans-84.3-34.8179.7-66.4174.4000112.1L873 Y874 P879 L880 L881L873-I877 HydrophobicContact CD1-CD1 3.83Å; L873-I877 HydrophobicContact CD1-CG1 4.33Å; L873-I877 HydrophobicContact CG-CD1 3.81Å; L873-I877 WeakPolarHBondContact O-CG1 2.8Å; L873-I877 PolarHBondContact O-N 3.33Å; Y874-I877 PolarHBondContact O-N 3.23Å; Y874-I877 VanDerWaalsContact O-N 3.16Å; I877-P879 VanDerWaalsContact C-CD 3.46Å; I877-P879 VanDerWaalsContact C-N 3.32Å; I877-L880 WeakPolarHBondContact O-CA 3.07Å; I877-L880 WeakPolarHBondContact O-CB 3.28Å; I877-L880 PolarHBondContact O-N 3.3Å; I877-L881 HydrophobicContact CG2-CD1 3.84Å; I877-L881 HydrophobicContact CG2-CG 4.02Å; I877-L881 PolarHBondContact O-N 3.13Å
878K76.9Confident77.5Confident102 Ų102106.2 Ų106.244%0.44352%0.519SS..THydrogen-bonded Turntrans-56.5-32.7-177.1-169.6173.4-171.5169.40114.7Y874Y874-K878 HydrophobicContact CE1-CD 4.08Å; Y874-K878 WeakPolarHBondContact O-CB 3.35Å; Y874-K878 PolarHBondContact O-N 2.66Å; Y874-K878 PolarHBondContact OH-NZ 3.12Å
879P72.7Confident76.7Confident83 Ų83103.6 Ų103.654%0.53952%0.516SS..THydrogen-bonded Turntrans-73.1-28.6170.6-20.134000114.2A875 I877A875-P879 VanDerWaalsContact O-CD 3.26Å; A875-P879 WeakPolarHBondContact O-CD 3.39Å; I877-P879 VanDerWaalsContact C-CD 3.46Å; I877-P879 VanDerWaalsContact C-N 3.32Å
880L79.4Confident76.1Confident138 Ų138100.1 Ų100.172%0.72351%0.505SS*.THydrogen-bonded Turntrans-79.5-27.8-179.9-58.2176.6000112.3I877 S882I877-L880 WeakPolarHBondContact O-CA 3.07Å; I877-L880 WeakPolarHBondContact O-CB 3.28Å; I877-L880 PolarHBondContact O-N 3.3Å; L880-S882 PolarHBondContact O-N 3.43Å
881L72.5Confident75.3Confident106 Ų10698.3 Ų98.356%0.55550%0.504SS*.  trans-72.549.6164.2-68.7171000110.6I877 Q883I877-L881 HydrophobicContact CG2-CD1 3.84Å; I877-L881 HydrophobicContact CG2-CG 4.02Å; I877-L881 PolarHBondContact O-N 3.13Å; L881-Q883 PolarHBondContact O-N 3.28Å
882S66.2Low74.3Confident51 Ų5198.8 Ų98.836%0.35751%0.507SS..THydrogen-bonded Turntrans-64.6-28.2-176.666.90000111.7L880 K885 Q886L880-S882 PolarHBondContact O-N 3.43Å; S882-K885 CarbonylContact O-C 3.47Å; S882-K885 WeakPolarHBondContact O-CA 3.38Å; S882-K885 PolarHBondContact O-N 2.91Å; S882-K885 VanDerWaalsContact O-N 3.12Å; S882-Q886 WeakPolarHBondContact O-CA 3.37Å; S882-Q886 WeakPolarHBondContact O-CB 3.49Å; S882-Q886 VanDerWaalsContact O-CG 3.25Å; S882-Q886 WeakPolarHBondContact O-CG 3.24Å; S882-Q886 PolarHBondContact O-N 2.89Å; S882-Q886 PolarHBondContact OG-OE1 3.43Å
883Q68.9Low73.4Confident141 Ų141101 Ų10166%0.65951%0.512SS*.THydrogen-bonded Turntrans-67.8-53.3-172.9-164.9157.911.100112.7L881 K885 Q886 D887L881-Q883 PolarHBondContact O-N 3.28Å; Q883-K885 PolarHBondContact O-N 2.93Å; Q883-K885 VanDerWaalsContact O-N 3.08Å; Q883-Q886 CarbonylContact O-C 3.52Å; Q883-Q886 WeakPolarHBondContact O-CA 3.25Å; Q883-Q886 PolarHBondContact O-N 3.12Å; Q883-D887 PolarHBondContact O-N 2.97Å
884A66.7Low72.2Confident74 Ų74100.3 Ų100.361%0.61251%0.512SS*.Hα-helixtrans-59.5-25.5171.400000112.5E888A884-E888 WeakPolarHBondContact O-CB 3.31Å; A884-E888 PolarHBondContact O-N 2.72Å
885K65.5Low71.1Confident110 Ų11098.4 Ų98.448%0.47851%0.51SS..Hα-helixtrans-89.2-4.2176-146.7-168.3178.3-161.60114S882 Q883 L889S882-K885 CarbonylContact O-C 3.47Å; S882-K885 WeakPolarHBondContact O-CA 3.38Å; S882-K885 PolarHBondContact O-N 2.91Å; S882-K885 VanDerWaalsContact O-N 3.12Å; Q883-K885 PolarHBondContact O-N 2.93Å; Q883-K885 VanDerWaalsContact O-N 3.08Å; K885-L889 WeakPolarHBondContact O-CB 3.25Å; K885-L889 PolarHBondContact O-N 3.06Å
886Q70.7Confident69.8Low107 Ų107101 Ų10150%0.551%0.511SS..Hα-helixtrans-106.3-31.8174.1-85.3176.8-55.200108.7S882 Q883 L889 V890S882-Q886 WeakPolarHBondContact O-CA 3.37Å; S882-Q886 WeakPolarHBondContact O-CB 3.49Å; S882-Q886 VanDerWaalsContact O-CG 3.25Å; S882-Q886 WeakPolarHBondContact O-CG 3.24Å; S882-Q886 PolarHBondContact O-N 2.89Å; S882-Q886 PolarHBondContact OG-OE1 3.43Å; Q883-Q886 CarbonylContact O-C 3.52Å; Q883-Q886 WeakPolarHBondContact O-CA 3.25Å; Q883-Q886 PolarHBondContact O-N 3.12Å; Q886-L889 CarbonylContact O-C 3.49Å; Q886-L889 PolarHBondContact O-N 3.38Å; Q886-V890 WeakPolarHBondContact O-CA 3.37Å; Q886-V890 WeakPolarHBondContact O-CB 3.44Å; Q886-V890 WeakPolarHBondContact O-CG2 3.21Å; Q886-V890 PolarHBondContact O-N 2.76Å
887D74.8Confident68.5Low98 Ų9895.8 Ų95.852%0.52450%0.497SS..Hα-helixtrans-68.6-46.1162.7-59-36000108.5Q883 L889 V890 E891Q883-D887 PolarHBondContact O-N 2.97Å; D887-L889 VanDerWaalsContact C-N 3.3Å; D887-L889 PolarHBondContact O-N 3.01Å; D887-V890 CarbonylContact O-C 3.46Å; D887-V890 PolarHBondContact O-N 2.71Å; D887-E891 WeakPolarHBondContact O-CA 3.49Å; D887-E891 WeakPolarHBondContact O-CB 3.47Å; D887-E891 PolarHBondContact O-N 3.29Å
888E68.2Low66.8Low101 Ų10197.2 Ų97.247%0.47250%0.501SS..Hα-helixtrans-65.1-29.4170-171.7-170.6-169.200112.2A884 Q892A884-E888 WeakPolarHBondContact O-CB 3.31Å; A884-E888 PolarHBondContact O-N 2.72Å; E888-Q892 HydrophobicContact CG-CG 4.4Å; E888-Q892 WeakPolarHBondContact O-CA 3.24Å; E888-Q892 WeakPolarHBondContact O-CB 3.14Å; E888-Q892 WeakPolarHBondContact O-CG 3.49Å; E888-Q892 PolarHBondContact O-N 2.94Å; E888-Q892 PolarHBondContact OE1-NE2 3.46Å; E888-Q892 VanDerWaalsContact OE1-NE2 3.16Å
889L69.7Low65.5Low88 Ų8895.9 Ų95.946%0.46150%0.501SS..Hα-helixtrans-90.9-14.4177.4-171.2137.9000113.8K885 Q886 D887 M893K885-L889 WeakPolarHBondContact O-CB 3.25Å; K885-L889 PolarHBondContact O-N 3.06Å; Q886-L889 CarbonylContact O-C 3.49Å; Q886-L889 PolarHBondContact O-N 3.38Å; D887-L889 VanDerWaalsContact C-N 3.3Å; D887-L889 PolarHBondContact O-N 3.01Å; L889-M893 HydrophobicContact CD2-CE 3.94Å; L889-M893 HydrophobicContact CD2-CG 4.19Å; L889-M893 HydrophobicContact CD2-SD 3.68Å; L889-M893 HydrophobicContact CG-CG 4.49Å; L889-M893 WeakPolarHBondContact O-CA 3.33Å; L889-M893 WeakPolarHBondContact O-CB 3.12Å; L889-M893 WeakPolarHBondContact O-CG 3.43Å; L889-M893 PolarHBondContact O-N 2.72Å
890V72Confident64.1Low84 Ų8495 Ų9551%0.50949%0.49SS..Hα-helixtrans-95.9-16.8168172.20000110.1Q886 D887 T894Q886-V890 WeakPolarHBondContact O-CA 3.37Å; Q886-V890 WeakPolarHBondContact O-CB 3.44Å; Q886-V890 WeakPolarHBondContact O-CG2 3.21Å; Q886-V890 PolarHBondContact O-N 2.76Å; D887-V890 CarbonylContact O-C 3.46Å; D887-V890 PolarHBondContact O-N 2.71Å; V890-T894 VanDerWaalsContact O-CA 3.31Å; V890-T894 WeakPolarHBondContact O-CA 3.37Å; V890-T894 WeakPolarHBondContact O-CB 3.38Å; V890-T894 PolarHBondContact O-N 3.47Å; V890-T894 PolarHBondContact O-OG1 2.72Å
891E70.9Confident62.3Low137 Ų13792.6 Ų92.664%0.6448%0.477SS*.Hα-helixtrans-86.1-35.1163.2-169.8168.8-131.400109.6D887 T894 L895D887-E891 WeakPolarHBondContact O-CA 3.49Å; D887-E891 WeakPolarHBondContact O-CB 3.47Å; D887-E891 PolarHBondContact O-N 3.29Å; E891-T894 CarbonylContact O-C 3.44Å; E891-L895 HydrophobicContact CG-CD1 4.35Å; E891-L895 WeakPolarHBondContact O-CA 3.49Å; E891-L895 VanDerWaalsContact O-CB 3.22Å; E891-L895 WeakPolarHBondContact O-CB 3.48Å; E891-L895 WeakPolarHBondContact O-CD1 3.14Å; E891-L895 PolarHBondContact O-N 2.93Å
892Q63.8Low61.1Low76 Ų7694.1 Ų94.136%0.35548%0.481SS..Hα-helixtrans-78.2-19.3166.1-72.9-173.638.600113.9E888 K896E888-Q892 HydrophobicContact CG-CG 4.4Å; E888-Q892 WeakPolarHBondContact O-CA 3.24Å; E888-Q892 WeakPolarHBondContact O-CB 3.14Å; E888-Q892 WeakPolarHBondContact O-CG 3.49Å; E888-Q892 PolarHBondContact O-N 2.94Å; E888-Q892 PolarHBondContact OE1-NE2 3.46Å; E888-Q892 VanDerWaalsContact OE1-NE2 3.16Å; Q892-K896 VanDerWaalsContact O-CB 3.28Å; Q892-K896 WeakPolarHBondContact O-CB 3.45Å; Q892-K896 WeakPolarHBondContact O-CD 3.02Å; Q892-K896 WeakPolarHBondContact O-CE 3.34Å; Q892-K896 VanDerWaalsContact O-CG 3.24Å; Q892-K896 WeakPolarHBondContact O-CG 3.35Å; Q892-K896 PolarHBondContact O-N 3.09Å
893M62.6Low60.1Low100 Ų10093.2 Ų93.249%0.49348%0.475SS..Hα-helixtrans-89.1-32.5165.3-79.7178.6166.400111.4L889 L895 K896 I897L889-M893 HydrophobicContact CD2-CE 3.94Å; L889-M893 HydrophobicContact CD2-CG 4.19Å; L889-M893 HydrophobicContact CD2-SD 3.68Å; L889-M893 HydrophobicContact CG-CG 4.49Å; L889-M893 WeakPolarHBondContact O-CA 3.33Å; L889-M893 WeakPolarHBondContact O-CB 3.12Å; L889-M893 WeakPolarHBondContact O-CG 3.43Å; L889-M893 PolarHBondContact O-N 2.72Å; M893-L895 PolarHBondContact O-N 2.96Å; M893-K896 CarbonylContact O-C 3.59Å; M893-K896 WeakPolarHBondContact O-CA 3.3Å; M893-K896 PolarHBondContact O-N 2.65Å; M893-K896 VanDerWaalsContact O-N 3.11Å; M893-I897 WeakPolarHBondContact O-CA 3.4Å; M893-I897 WeakPolarHBondContact O-CB 3.06Å; M893-I897 WeakPolarHBondContact O-CG1 3.33Å; M893-I897 PolarHBondContact O-N 3.31Å
894T61.7Low59Low68 Ų6892 Ų9242%0.41747%0.473SS..Hα-helixtrans-70.8-20.2166.6-55.50000109.7V890 E891 I897 K898V890-T894 VanDerWaalsContact O-CA 3.31Å; V890-T894 WeakPolarHBondContact O-CA 3.37Å; V890-T894 WeakPolarHBondContact O-CB 3.38Å; V890-T894 PolarHBondContact O-N 3.47Å; V890-T894 PolarHBondContact O-OG1 2.72Å; E891-T894 CarbonylContact O-C 3.44Å; T894-I897 CarbonylContact O-C 3.55Å; T894-K898 HydrophobicContact CG2-CB 4.43Å; T894-K898 VanDerWaalsContact O-CA 3.3Å; T894-K898 WeakPolarHBondContact O-CA 3.3Å; T894-K898 WeakPolarHBondContact O-CB 3.39Å; T894-K898 PolarHBondContact O-N 3.16Å
895L61.3Low57.8Low81 Ų8190.8 Ų90.842%0.42446%0.46SS..Hα-helixtrans-77.8-45.1158.6-91.864000110.9E891 M893 I897 K898 V899 H900E891-L895 HydrophobicContact CG-CD1 4.35Å; E891-L895 WeakPolarHBondContact O-CA 3.49Å; E891-L895 VanDerWaalsContact O-CB 3.22Å; E891-L895 WeakPolarHBondContact O-CB 3.48Å; E891-L895 WeakPolarHBondContact O-CD1 3.14Å; E891-L895 PolarHBondContact O-N 2.93Å; M893-L895 PolarHBondContact O-N 2.96Å; L895-I897 PolarHBondContact O-N 3.38Å; L895-K898 PolarHBondContact O-N 3.27Å; L895-V899 HydrophobicContact CB-CB 4.08Å; L895-V899 HydrophobicContact CB-CG2 4.2Å; L895-V899 HydrophobicContact CD2-CG2 4.17Å; L895-V899 HydrophobicContact CG-CB 4.18Å; L895-V899 HydrophobicContact CG-CG2 3.72Å; L895-V899 CarbonylContact O-C 3.16Å; L895-V899 WeakPolarHBondContact O-CA 3.4Å; L895-V899 WeakPolarHBondContact O-CB 3.3Å; L895-V899 PolarHBondContact O-N 3.46Å; L895-H900 PolarHBondContact O-N 2.99Å; L895-H900 VanDerWaalsContact O-N 3.11Å
896K53.9Low56.6Low105 Ų10589.6 Ų89.646%0.45746%0.455SS..Hα-helixtrans-77.829.6171.7-64.2148.6-152.81640113.2Q892 M893 H900Q892-K896 VanDerWaalsContact O-CB 3.28Å; Q892-K896 WeakPolarHBondContact O-CB 3.45Å; Q892-K896 WeakPolarHBondContact O-CD 3.02Å; Q892-K896 WeakPolarHBondContact O-CE 3.34Å; Q892-K896 VanDerWaalsContact O-CG 3.24Å; Q892-K896 WeakPolarHBondContact O-CG 3.35Å; Q892-K896 PolarHBondContact O-N 3.09Å; M893-K896 CarbonylContact O-C 3.59Å; M893-K896 WeakPolarHBondContact O-CA 3.3Å; M893-K896 PolarHBondContact O-N 2.65Å; M893-K896 VanDerWaalsContact O-N 3.11Å; K896-H900 VanDerWaalsContact C-CD2 3.44Å; K896-H900 VanDerWaalsContact C-CG 3.47Å; K896-H900 PolarHBondContact O-CD2 2.91Å
897I56.1Low55.2Low90 Ų9087.1 Ų87.146%0.46245%0.445SS..Hα-helixtrans-145-19.7170.6-66171.2000109.8M893 T894 L895 L901M893-I897 WeakPolarHBondContact O-CA 3.4Å; M893-I897 WeakPolarHBondContact O-CB 3.06Å; M893-I897 WeakPolarHBondContact O-CG1 3.33Å; M893-I897 PolarHBondContact O-N 3.31Å; T894-I897 CarbonylContact O-C 3.55Å; L895-I897 PolarHBondContact O-N 3.38Å; I897-L901 HydrophobicContact CG2-CD1 3.63Å; I897-L901 HydrophobicContact CG2-CG 4.3Å; I897-L901 WeakPolarHBondContact O-CA 3.38Å; I897-L901 WeakPolarHBondContact O-CB 3.06Å; I897-L901 VanDerWaalsContact O-CD1 3.25Å; I897-L901 WeakPolarHBondContact O-CD1 3.37Å; I897-L901 WeakPolarHBondContact O-CG 2.99Å; I897-L901 PolarHBondContact O-N 2.96Å
898K48.1Very low53.9Low102 Ų10284.2 Ų84.244%0.44343%0.43SS..Hα-helixtrans-124.5-24.9178.2-162.9-178.2179.4-177.70114.1T894 L895 E902 S903T894-K898 HydrophobicContact CG2-CB 4.43Å; T894-K898 VanDerWaalsContact O-CA 3.3Å; T894-K898 WeakPolarHBondContact O-CA 3.3Å; T894-K898 WeakPolarHBondContact O-CB 3.39Å; T894-K898 PolarHBondContact O-N 3.16Å; L895-K898 PolarHBondContact O-N 3.27Å; K898-E902 WeakPolarHBondContact CE-OE1 3.3Å; K898-E902 WeakPolarHBondContact CE-OE2 3.15Å; K898-E902 HydrophobicContact CG-CB 4.27Å; K898-E902 VanDerWaalsContact CG-CD 3.4Å; K898-E902 HydrophobicContact CG-CG 3.69Å; K898-E902 WeakPolarHBondContact CG-OE2 3.42Å; K898-E902 IonicContact NZ-OE1 3.35Å; K898-E902 IonicContact NZ-OE2 3.23Å; K898-E902 CarbonylContact O-C 3.24Å; K898-E902 WeakPolarHBondContact O-CA 2.96Å; K898-E902 WeakPolarHBondContact O-CB 2.89Å; K898-E902 PolarHBondContact O-N 3.35Å; K898-S903 PolarHBondContact O-N 3.07Å
899V50.8Low52.8Low73 Ų7385.7 Ų85.744%0.44244%0.435SS..Hα-helixtrans-88.322.6146.9175.80000108.9L895 S903 S905L895-V899 HydrophobicContact CB-CB 4.08Å; L895-V899 HydrophobicContact CB-CG2 4.2Å; L895-V899 HydrophobicContact CD2-CG2 4.17Å; L895-V899 HydrophobicContact CG-CB 4.18Å; L895-V899 HydrophobicContact CG-CG2 3.72Å; L895-V899 CarbonylContact O-C 3.16Å; L895-V899 WeakPolarHBondContact O-CA 3.4Å; L895-V899 WeakPolarHBondContact O-CB 3.3Å; L895-V899 PolarHBondContact O-N 3.46Å; V899-S903 CarbonylContact C-O 3.48Å; V899-S903 WeakPolarHBondContact CA-OG 3.4Å; V899-S903 WeakPolarHBondContact CG1-OG 2.88Å; V899-S903 PolarHBondContact O-OG 3.01Å; V899-S903 VanDerWaalsContact O-OG 3.06Å; V899-S905 PolarHBondContact O-OG 3.33Å; V899-S905 VanDerWaalsContact O-OG 3.12Å
900H43.1Very low52.2Low66 Ų6686.5 Ų86.531%0.30644%0.436SS..Hα-helixtrans-122.5-55.3156.9-82.81.2000108.9L895 K896 S905 F906 D907L895-H900 PolarHBondContact O-N 2.99Å; L895-H900 VanDerWaalsContact O-N 3.11Å; K896-H900 VanDerWaalsContact C-CD2 3.44Å; K896-H900 VanDerWaalsContact C-CG 3.47Å; K896-H900 PolarHBondContact O-CD2 2.91Å; H900-S905 PolarHBondContact CE1-OG 3.45Å; H900-S905 PolarHBondContact ND1-OG 3.47Å; H900-F906 HydrophobicContact CB-CB 3.97Å; H900-F906 CarbonylContact O-C 3.53Å; H900-F906 WeakPolarHBondContact O-CA 2.98Å; H900-F906 WeakPolarHBondContact O-CB 3.29Å; H900-F906 PolarHBondContact O-N 2.98Å; H900-D907 PolarHBondContact O-N 3.03Å
901L41.8Very low51.4Low87 Ų8787.9 Ų87.946%0.45544%0.437SS..Hα-helixtrans-83.1-1.3176.8-58165.8000116.1I897 F906 D907I897-L901 HydrophobicContact CG2-CD1 3.63Å; I897-L901 HydrophobicContact CG2-CG 4.3Å; I897-L901 WeakPolarHBondContact O-CA 3.38Å; I897-L901 WeakPolarHBondContact O-CB 3.06Å; I897-L901 VanDerWaalsContact O-CD1 3.25Å; I897-L901 WeakPolarHBondContact O-CD1 3.37Å; I897-L901 WeakPolarHBondContact O-CG 2.99Å; I897-L901 PolarHBondContact O-N 2.96Å; L901-F906 HydrophobicContact CD2-CB 3.94Å; L901-F906 HydrophobicContact CD2-CD1 3.36Å; L901-F906 HydrophobicContact CD2-CD2 4.39Å; L901-F906 HydrophobicContact CD2-CE1 3.85Å; L901-F906 HydrophobicContact CD2-CG 3.65Å; L901-F906 HydrophobicContact CG-CB 4.38Å; L901-F906 HydrophobicContact CG-CG 4.49Å; L901-D907 VanDerWaalsContact C-OD2 3.26Å
902E46.4Very low50.7Low138 Ų13883.8 Ų83.865%0.64543%0.427SS*.THydrogen-bonded Turntrans-137.221.3165.6-42.8174.8173.800110.4K898 D907K898-E902 WeakPolarHBondContact CE-OE1 3.3Å; K898-E902 WeakPolarHBondContact CE-OE2 3.15Å; K898-E902 HydrophobicContact CG-CB 4.27Å; K898-E902 VanDerWaalsContact CG-CD 3.4Å; K898-E902 HydrophobicContact CG-CG 3.69Å; K898-E902 WeakPolarHBondContact CG-OE2 3.42Å; K898-E902 IonicContact NZ-OE1 3.35Å; K898-E902 IonicContact NZ-OE2 3.23Å; K898-E902 CarbonylContact O-C 3.24Å; K898-E902 WeakPolarHBondContact O-CA 2.96Å; K898-E902 WeakPolarHBondContact O-CB 2.89Å; K898-E902 PolarHBondContact O-N 3.35Å; E902-D907 VanDerWaalsContact C-OD2 3.25Å; E902-D907 VanDerWaalsContact CA-OD2 3.31Å; E902-D907 WeakPolarHBondContact CA-OD2 3.28Å; E902-D907 PolarHBondContact N-OD2 3.39Å
903S45.7Very low50.9Low32 Ų3283 Ų8322%0.22443%0.427CS..THydrogen-bonded Turntrans-159.9121.3160.583.20000112.4K898 V899 S905 D907K898-S903 PolarHBondContact O-N 3.07Å; V899-S903 CarbonylContact C-O 3.48Å; V899-S903 WeakPolarHBondContact CA-OG 3.4Å; V899-S903 WeakPolarHBondContact CG1-OG 2.88Å; V899-S903 PolarHBondContact O-OG 3.01Å; V899-S903 VanDerWaalsContact O-OG 3.06Å; S903-S905 PolarHBondContact O-N 3.42Å; S903-S905 PolarHBondContact O-OG 2.89Å; S903-D907 WeakPolarHBondContact CA-OD2 2.9Å; S903-D907 PolarHBondContact N-OD2 3.22Å
904D44.4Very low51.3Low114 Ų11480.7 Ų80.761%0.6142%0.424SS*.THydrogen-bonded Turntrans52.414.5138.9-77.665.8000119.5N908D904-N908 VanDerWaalsContact C-ND2 3.29Å; D904-N908 WeakPolarHBondContact CA-ND2 3.38Å; D904-N908 WeakPolarHBondContact CB-ND2 2.86Å; D904-N908 VanDerWaalsContact O-CB 3.28Å; D904-N908 WeakPolarHBondContact O-CB 3.34Å; D904-N908 PolarHBondContact O-ND2 3.42Å; D904-N908 PolarHBondContact OD2-ND2 3.14Å
905S42.4Very low51.6Low50 Ų5080.1 Ų80.135%0.3542%0.423SS..SBendtrans-166-23.3-173.943.90000116.6V899 H900 S903 F909V899-S905 PolarHBondContact O-OG 3.33Å; V899-S905 VanDerWaalsContact O-OG 3.12Å; H900-S905 PolarHBondContact CE1-OG 3.45Å; H900-S905 PolarHBondContact ND1-OG 3.47Å; S903-S905 PolarHBondContact O-N 3.42Å; S903-S905 PolarHBondContact O-OG 2.89Å; S905-F909 VanDerWaalsContact O-CB 3.29Å; S905-F909 WeakPolarHBondContact O-CB 3.2Å
906F40.3Very low51.9Low84 Ų8479.2 Ų79.237%0.36842%0.423SS..SBendtrans-86.2-44.4134.2-144.9-98.2000107.8H900 L901 N908 F909 E910H900-F906 HydrophobicContact CB-CB 3.97Å; H900-F906 CarbonylContact O-C 3.53Å; H900-F906 WeakPolarHBondContact O-CA 2.98Å; H900-F906 WeakPolarHBondContact O-CB 3.29Å; H900-F906 PolarHBondContact O-N 2.98Å; L901-F906 HydrophobicContact CD2-CB 3.94Å; L901-F906 HydrophobicContact CD2-CD1 3.36Å; L901-F906 HydrophobicContact CD2-CD2 4.39Å; L901-F906 HydrophobicContact CD2-CE1 3.85Å; L901-F906 HydrophobicContact CD2-CG 3.65Å; L901-F906 HydrophobicContact CG-CB 4.38Å; L901-F906 HydrophobicContact CG-CG 4.49Å; F906-N908 PolarHBondContact O-N 3.05Å; F906-F909 CarbonylContact O-C 3.58Å; F906-F909 WeakPolarHBondContact O-CA 3.3Å; F906-F909 PolarHBondContact O-N 3.13Å; F906-E910 HydrophobicContact CD1-CB 3.88Å; F906-E910 HydrophobicContact CD1-CG 4.48Å; F906-E910 WeakPolarHBondContact CD1-OE2 2.95Å; F906-E910 HydrophobicContact CE1-CB 4.14Å; F906-E910 HydrophobicContact CE1-CG 4.38Å; F906-E910 WeakPolarHBondContact CE1-OE2 3.26Å; F906-E910 VanDerWaalsContact O-CB 3.32Å; F906-E910 WeakPolarHBondContact O-CB 2.92Å; F906-E910 PolarHBondContact O-N 3.05Å
907D42.2Very low52.8Low55 Ų5579 Ų7929%0.29442%0.424SS..Hα-helixtrans-61-41.5179.2-54.7-70.8000113.5H900 L901 E902 S903 F909 E911H900-D907 PolarHBondContact O-N 3.03Å; L901-D907 VanDerWaalsContact C-OD2 3.26Å; E902-D907 VanDerWaalsContact C-OD2 3.25Å; E902-D907 VanDerWaalsContact CA-OD2 3.31Å; E902-D907 WeakPolarHBondContact CA-OD2 3.28Å; E902-D907 PolarHBondContact N-OD2 3.39Å; S903-D907 WeakPolarHBondContact CA-OD2 2.9Å; S903-D907 PolarHBondContact N-OD2 3.22Å; D907-F909 VanDerWaalsContact C-N 3.29Å; D907-F909 PolarHBondContact O-N 2.98Å; D907-E911 WeakPolarHBondContact O-CA 3.24Å; D907-E911 WeakPolarHBondContact O-CB 3.46Å; D907-E911 WeakPolarHBondContact O-CG 3.09Å; D907-E911 PolarHBondContact O-N 2.7Å
908N46Very low53.6Low37 Ų3779.8 Ų79.820%0.19843%0.426CS..Hα-helixtrans-72.3-17.5169.8-83.8-74.2000113D904 F906 A912 R1638D904-N908 VanDerWaalsContact C-ND2 3.29Å; D904-N908 WeakPolarHBondContact CA-ND2 3.38Å; D904-N908 WeakPolarHBondContact CB-ND2 2.86Å; D904-N908 VanDerWaalsContact O-CB 3.28Å; D904-N908 WeakPolarHBondContact O-CB 3.34Å; D904-N908 PolarHBondContact O-ND2 3.42Å; D904-N908 PolarHBondContact OD2-ND2 3.14Å; F906-N908 PolarHBondContact O-N 3.05Å; N908-A912 WeakPolarHBondContact O-CA 3.15Å; N908-A912 WeakPolarHBondContact O-CB 3.28Å; N908-A912 PolarHBondContact O-N 2.83Å; N908-R1638 PolarHBondContact OD1-NH1 3.02Å; N908-R1638 PolarHBondContact OD1-NH2 3.41Å
909F46.6Very low54.8Low133 Ų13379.7 Ų79.758%0.58343%0.43SS*.Hα-helixtrans-90.2-26.9176.8-165.1-87.8000112.3S905 F906 D907 V913S905-F909 VanDerWaalsContact O-CB 3.29Å; S905-F909 WeakPolarHBondContact O-CB 3.2Å; F906-F909 CarbonylContact O-C 3.58Å; F906-F909 WeakPolarHBondContact O-CA 3.3Å; F906-F909 PolarHBondContact O-N 3.13Å; D907-F909 VanDerWaalsContact C-N 3.29Å; D907-F909 PolarHBondContact O-N 2.98Å; F909-V913 HydrophobicContact CD1-CG2 3.91Å; F909-V913 HydrophobicContact CE1-CG2 3.67Å; F909-V913 HydrophobicContact CZ-CG2 4.36Å; F909-V913 WeakPolarHBondContact O-CA 2.93Å; F909-V913 WeakPolarHBondContact O-CB 3.07Å; F909-V913 WeakPolarHBondContact O-CG2 3.36Å; F909-V913 PolarHBondContact O-N 2.6Å
910E55.2Low55.9Low104 Ų10479.2 Ų79.249%0.48643%0.429SS..Hα-helixtrans-91.1-26.6174.6-168.7161.6-133.800109.9F906 A914F906-E910 HydrophobicContact CD1-CB 3.88Å; F906-E910 HydrophobicContact CD1-CG 4.48Å; F906-E910 WeakPolarHBondContact CD1-OE2 2.95Å; F906-E910 HydrophobicContact CE1-CB 4.14Å; F906-E910 HydrophobicContact CE1-CG 4.38Å; F906-E910 WeakPolarHBondContact CE1-OE2 3.26Å; F906-E910 VanDerWaalsContact O-CB 3.32Å; F906-E910 WeakPolarHBondContact O-CB 2.92Å; F906-E910 PolarHBondContact O-N 3.05Å; E910-A914 WeakPolarHBondContact O-CA 3.35Å; E910-A914 WeakPolarHBondContact O-CB 3.29Å; E910-A914 PolarHBondContact O-N 2.7Å
911E55.4Low57.6Low113 Ų11380.6 Ų80.653%0.52843%0.434SS..Hα-helixtrans-72.3-33.4156.6-79.7-152.114100111.9D907 S915D907-E911 WeakPolarHBondContact O-CA 3.24Å; D907-E911 WeakPolarHBondContact O-CB 3.46Å; D907-E911 WeakPolarHBondContact O-CG 3.09Å; D907-E911 PolarHBondContact O-N 2.7Å; E911-S915 WeakPolarHBondContact O-CA 2.79Å; E911-S915 WeakPolarHBondContact O-CB 2.94Å; E911-S915 PolarHBondContact O-N 3.41Å; E911-S915 PolarHBondContact O-OG 2.96Å
912A57.4Low59.1Low51 Ų5180.5 Ų80.542%0.42143%0.434SS..Hα-helixtrans-75.2-36.117400000111.6N908 S916N908-A912 WeakPolarHBondContact O-CA 3.15Å; N908-A912 WeakPolarHBondContact O-CB 3.28Å; N908-A912 PolarHBondContact O-N 2.83Å; A912-S916 WeakPolarHBondContact O-CA 3.28Å; A912-S916 WeakPolarHBondContact O-CB 3.48Å; A912-S916 PolarHBondContact O-N 2.81Å
913V67.9Low60.2Low59 Ų5977.9 Ų77.936%0.35842%0.424SS..Hα-helixtrans-73.3-39.5171.5166.50000110.3F909 S916 E917F909-V913 HydrophobicContact CD1-CG2 3.91Å; F909-V913 HydrophobicContact CE1-CG2 3.67Å; F909-V913 HydrophobicContact CZ-CG2 4.36Å; F909-V913 WeakPolarHBondContact O-CA 2.93Å; F909-V913 WeakPolarHBondContact O-CB 3.07Å; F909-V913 WeakPolarHBondContact O-CG2 3.36Å; F909-V913 PolarHBondContact O-N 2.6Å; V913-S916 CarbonylContact O-C 3.6Å; V913-S916 PolarHBondContact O-N 3.11Å; V913-E917 HydrophobicContact CG1-CG 4.38Å; V913-E917 WeakPolarHBondContact O-CA 3.34Å; V913-E917 VanDerWaalsContact O-CB 3.22Å; V913-E917 WeakPolarHBondContact O-CB 2.78Å; V913-E917 WeakPolarHBondContact O-CG 3.19Å; V913-E917 PolarHBondContact O-N 2.62Å
914A70.8Confident61.8Low53 Ų5382.1 Ų82.144%0.43844%0.44SS..Hα-helixtrans-69.9-34.6172.100000111.9E910 Q918E910-A914 WeakPolarHBondContact O-CA 3.35Å; E910-A914 WeakPolarHBondContact O-CB 3.29Å; E910-A914 PolarHBondContact O-N 2.7Å; A914-Q918 WeakPolarHBondContact O-CA 3.06Å; A914-Q918 WeakPolarHBondContact O-CB 3.38Å; A914-Q918 PolarHBondContact O-N 2.7Å
915S68.7Low63.3Low55 Ų5579.8 Ų79.839%0.38543%0.433SS..Hα-helixtrans-70.2-34.1171-66.50000111.4E911 L919E911-S915 WeakPolarHBondContact O-CA 2.79Å; E911-S915 WeakPolarHBondContact O-CB 2.94Å; E911-S915 PolarHBondContact O-N 3.41Å; E911-S915 PolarHBondContact O-OG 2.96Å; S915-L919 WeakPolarHBondContact O-CA 3.39Å; S915-L919 WeakPolarHBondContact O-CB 3.02Å; S915-L919 PolarHBondContact O-N 2.71Å
916S67.1Low64.8Low63 Ų6382.7 Ų82.744%0.44144%0.441SS..Hα-helixtrans-74.8-35.8175.1-170.90000111.3A912 V913 L919 C920A912-S916 WeakPolarHBondContact O-CA 3.28Å; A912-S916 WeakPolarHBondContact O-CB 3.48Å; A912-S916 PolarHBondContact O-N 2.81Å; V913-S916 CarbonylContact O-C 3.6Å; V913-S916 PolarHBondContact O-N 3.11Å; S916-L919 CarbonylContact O-C 3.58Å; S916-L919 PolarHBondContact O-N 3.12Å; S916-C920 VanDerWaalsContact O-CB 3.24Å; S916-C920 WeakPolarHBondContact O-CB 3.35Å; S916-C920 PolarHBondContact O-N 3.06Å; S916-C920 PolarHBondContact O-SG 3.4Å
917E72.1Confident66.6Low99 Ų9982.4 Ų82.446%0.46345%0.446SS..Hα-helixtrans-71.4-38.2171.2-84.8-164.3-160.700111.2V913 L919 C920 K921V913-E917 HydrophobicContact CG1-CG 4.38Å; V913-E917 WeakPolarHBondContact O-CA 3.34Å; V913-E917 VanDerWaalsContact O-CB 3.22Å; V913-E917 WeakPolarHBondContact O-CB 2.78Å; V913-E917 WeakPolarHBondContact O-CG 3.19Å; V913-E917 PolarHBondContact O-N 2.62Å; E917-L919 VanDerWaalsContact C-N 3.35Å; E917-C920 CarbonylContact O-C 3.57Å; E917-C920 PolarHBondContact O-N 2.66Å; E917-K921 VanDerWaalsContact O-CB 3.27Å; E917-K921 WeakPolarHBondContact O-CB 3.25Å; E917-K921 VanDerWaalsContact O-CD 3.25Å; E917-K921 WeakPolarHBondContact O-CD 2.82Å; E917-K921 WeakPolarHBondContact O-CG 3.17Å; E917-K921 PolarHBondContact O-N 2.82Å; E917-K921 IonicContact OE2-NZ 2.72Å; E917-K921 PolarHBondContact OE2-NZ 2.88Å
918Q73.5Confident68.5Low107 Ų10785.6 Ų85.650%0.546%0.462SS..Hα-helixtrans-71.1-35.8174.3-163.674.3-4.100109.7A914 K921 N922A914-Q918 WeakPolarHBondContact O-CA 3.06Å; A914-Q918 WeakPolarHBondContact O-CB 3.38Å; A914-Q918 PolarHBondContact O-N 2.7Å; Q918-K921 PolarHBondContact O-N 3.34Å; Q918-N922 WeakPolarHBondContact O-CB 3.34Å; Q918-N922 PolarHBondContact O-N 3.37Å; Q918-N922 PolarHBondContact O-ND2 2.73Å; Q918-N922 PolarHBondContact O-OD1 3.49Å
919L72.1Confident69.9Low101 Ų10186.6 Ų86.653%0.52947%0.472SS..Hα-helixtrans-66.8-40.6170.1-176.364.6000111S915 S916 E917 N922 L923S915-L919 WeakPolarHBondContact O-CA 3.39Å; S915-L919 WeakPolarHBondContact O-CB 3.02Å; S915-L919 PolarHBondContact O-N 2.71Å; S916-L919 CarbonylContact O-C 3.58Å; S916-L919 PolarHBondContact O-N 3.12Å; E917-L919 VanDerWaalsContact C-N 3.35Å; L919-N922 PolarHBondContact O-N 2.73Å; L919-L923 HydrophobicContact CD1-CD1 4.38Å; L919-L923 HydrophobicContact CD1-CG 4.41Å; L919-L923 HydrophobicContact CG-CD1 4Å; L919-L923 HydrophobicContact CG-CG 4.44Å; L919-L923 VanDerWaalsContact O-CB 3.24Å; L919-L923 WeakPolarHBondContact O-CB 3.17Å; L919-L923 WeakPolarHBondContact O-CG 3.03Å; L919-L923 PolarHBondContact O-N 2.72Å
920C75Confident71.1Confident63 Ų6384.7 Ų84.743%0.42647%0.467SS..Hα-helixtrans-65.6-43.6172.9-80.10000111.4S916 E917 N922 L923 E924S916-C920 VanDerWaalsContact O-CB 3.24Å; S916-C920 WeakPolarHBondContact O-CB 3.35Å; S916-C920 PolarHBondContact O-N 3.06Å; S916-C920 PolarHBondContact O-SG 3.4Å; E917-C920 CarbonylContact O-C 3.57Å; E917-C920 PolarHBondContact O-N 2.66Å; C920-N922 VanDerWaalsContact C-N 3.34Å; C920-N922 PolarHBondContact O-N 2.64Å; C920-L923 CarbonylContact O-C 3.58Å; C920-L923 PolarHBondContact O-N 3.39Å; C920-E924 WeakPolarHBondContact O-CB 3.34Å; C920-E924 WeakPolarHBondContact O-CG 3.38Å; C920-E924 PolarHBondContact O-N 3.3Å
921K78.2Confident72.2Confident95 Ų9583 Ų8341%0.41346%0.462SS..Hα-helixtrans-65.6-36.7174.6-70.8157.4-162.8164.20111.4E917 Q918 S925E917-K921 VanDerWaalsContact O-CB 3.27Å; E917-K921 WeakPolarHBondContact O-CB 3.25Å; E917-K921 VanDerWaalsContact O-CD 3.25Å; E917-K921 WeakPolarHBondContact O-CD 2.82Å; E917-K921 WeakPolarHBondContact O-CG 3.17Å; E917-K921 PolarHBondContact O-N 2.82Å; E917-K921 IonicContact OE2-NZ 2.72Å; E917-K921 PolarHBondContact OE2-NZ 2.88Å; Q918-K921 PolarHBondContact O-N 3.34Å; K921-S925 VanDerWaalsContact O-CB 3.26Å; K921-S925 WeakPolarHBondContact O-CB 3.14Å; K921-S925 PolarHBondContact O-N 2.68Å; K921-S925 PolarHBondContact O-OG 2.92Å
922N73.1Confident73.4Confident84 Ų8481.7 Ų81.745%0.44946%0.456SS..Hα-helixtrans-66.6-47.3172.7-72-11.4000110.6Q918 L919 C920 S925 Q926Q918-N922 WeakPolarHBondContact O-CB 3.34Å; Q918-N922 PolarHBondContact O-N 3.37Å; Q918-N922 PolarHBondContact O-ND2 2.73Å; Q918-N922 PolarHBondContact O-OD1 3.49Å; L919-N922 PolarHBondContact O-N 2.73Å; C920-N922 VanDerWaalsContact C-N 3.34Å; C920-N922 PolarHBondContact O-N 2.64Å; N922-S925 PolarHBondContact O-N 2.94Å; N922-S925 PolarHBondContact O-OG 2.87Å; N922-Q926 VanDerWaalsContact O-CB 3.29Å; N922-Q926 WeakPolarHBondContact O-CB 2.83Å; N922-Q926 PolarHBondContact O-N 3.24Å
923L71.3Confident74.2Confident83 Ų8384 Ų8444%0.43546%0.458SS..Hα-helixtrans-65.4-36.4175.6-73.9169.1000112.1L919 C920 Q926 V927L919-L923 HydrophobicContact CD1-CD1 4.38Å; L919-L923 HydrophobicContact CD1-CG 4.41Å; L919-L923 HydrophobicContact CG-CD1 4Å; L919-L923 HydrophobicContact CG-CG 4.44Å; L919-L923 VanDerWaalsContact O-CB 3.24Å; L919-L923 WeakPolarHBondContact O-CB 3.17Å; L919-L923 WeakPolarHBondContact O-CG 3.03Å; L919-L923 PolarHBondContact O-N 2.72Å; C920-L923 CarbonylContact O-C 3.58Å; C920-L923 PolarHBondContact O-N 3.39Å; L923-Q926 CarbonylContact O-C 3.58Å; L923-Q926 PolarHBondContact O-N 2.79Å; L923-V927 VanDerWaalsContact O-CB 3.25Å; L923-V927 WeakPolarHBondContact O-CB 3.04Å; L923-V927 WeakPolarHBondContact O-CG2 3.19Å; L923-V927 PolarHBondContact O-N 2.66Å
924E77.6Confident74.7Confident121 Ų12185.9 Ų85.957%0.56546%0.461SS*.Hα-helixtrans-67.3-43.7173.1-79.6173.8174.700110.3C920 Q926 V927 L928C920-E924 WeakPolarHBondContact O-CB 3.34Å; C920-E924 WeakPolarHBondContact O-CG 3.38Å; C920-E924 PolarHBondContact O-N 3.3Å; E924-Q926 VanDerWaalsContact C-N 3.31Å; E924-Q926 PolarHBondContact O-N 2.75Å; E924-V927 CarbonylContact O-C 3.53Å; E924-V927 PolarHBondContact O-N 2.7Å; E924-L928 VanDerWaalsContact O-CB 3.31Å; E924-L928 WeakPolarHBondContact O-CB 2.84Å; E924-L928 VanDerWaalsContact O-CG 3.23Å; E924-L928 WeakPolarHBondContact O-CG 2.89Å; E924-L928 PolarHBondContact O-N 2.73Å
925S76.9Confident75.2Confident66 Ų6691.2 Ų91.246%0.46247%0.47SS..Hα-helixtrans-66.4-33.3173.876.60000112.2K921 N922 L928 S929K921-S925 VanDerWaalsContact O-CB 3.26Å; K921-S925 WeakPolarHBondContact O-CB 3.14Å; K921-S925 PolarHBondContact O-N 2.68Å; K921-S925 PolarHBondContact O-OG 2.92Å; N922-S925 PolarHBondContact O-N 2.94Å; N922-S925 PolarHBondContact O-OG 2.87Å; S925-L928 PolarHBondContact O-N 2.83Å; S925-S929 VanDerWaalsContact O-CB 3.27Å; S925-S929 WeakPolarHBondContact O-CB 3.41Å; S925-S929 PolarHBondContact O-N 2.83Å
926Q73.9Confident75.6Confident111 Ų11195.6 Ų95.652%0.51948%0.478SS..Hα-helixtrans-71.6-38.9173.2-168.4176.519.700111.1N922 L923 E924 S929 L930N922-Q926 VanDerWaalsContact O-CB 3.29Å; N922-Q926 WeakPolarHBondContact O-CB 2.83Å; N922-Q926 PolarHBondContact O-N 3.24Å; L923-Q926 CarbonylContact O-C 3.58Å; L923-Q926 PolarHBondContact O-N 2.79Å; E924-Q926 VanDerWaalsContact C-N 3.31Å; E924-Q926 PolarHBondContact O-N 2.75Å; Q926-S929 PolarHBondContact O-N 2.78Å; Q926-L930 HydrophobicContact CG-CD1 4.25Å; Q926-L930 VanDerWaalsContact O-CB 3.31Å; Q926-L930 WeakPolarHBondContact O-CB 3.44Å; Q926-L930 WeakPolarHBondContact O-CG 3.28Å; Q926-L930 PolarHBondContact O-N 3.38Å
927V78.5Confident75.8Confident78 Ų7898.1 Ų98.147%0.47348%0.484SS..Hα-helixtrans-69.5-34.8173.3164.10000111.1L923 E924 N931L923-V927 VanDerWaalsContact O-CB 3.25Å; L923-V927 WeakPolarHBondContact O-CB 3.04Å; L923-V927 WeakPolarHBondContact O-CG2 3.19Å; L923-V927 PolarHBondContact O-N 2.66Å; E924-V927 CarbonylContact O-C 3.53Å; E924-V927 PolarHBondContact O-N 2.7Å; V927-N931 WeakPolarHBondContact CG1-ND2 3.21Å; V927-N931 VanDerWaalsContact O-CB 3.29Å; V927-N931 WeakPolarHBondContact O-CB 3.49Å; V927-N931 PolarHBondContact O-N 3.5Å; V927-N931 PolarHBondContact O-ND2 3.31Å
928L81.4Confident76.1Confident121 Ų12197.8 Ų97.863%0.63448%0.483SS*.Hα-helixtrans-67.2-43.4171-75.3167.7000110.6E924 S925 N931 E932E924-L928 VanDerWaalsContact O-CB 3.31Å; E924-L928 WeakPolarHBondContact O-CB 2.84Å; E924-L928 VanDerWaalsContact O-CG 3.23Å; E924-L928 WeakPolarHBondContact O-CG 2.89Å; E924-L928 PolarHBondContact O-N 2.73Å; S925-L928 PolarHBondContact O-N 2.83Å; L928-N931 CarbonylContact O-C 2.85Å; L928-N931 PolarHBondContact O-N 3.29Å; L928-E932 VanDerWaalsContact O-CB 3.31Å; L928-E932 WeakPolarHBondContact O-CB 3.24Å; L928-E932 PolarHBondContact O-N 3.47Å
929S76.5Confident76.5Confident58 Ų5895.8 Ų95.841%0.40648%0.484SS..Hα-helixtrans-61.9-42.6173.1-174.30000112.1S925 Q926 E932 Q933S925-S929 VanDerWaalsContact O-CB 3.27Å; S925-S929 WeakPolarHBondContact O-CB 3.41Å; S925-S929 PolarHBondContact O-N 2.83Å; Q926-S929 PolarHBondContact O-N 2.78Å; S929-E932 WeakPolarHBondContact O-CB 3.16Å; S929-E932 PolarHBondContact O-N 2.82Å; S929-Q933 WeakPolarHBondContact O-CB 3.26Å; S929-Q933 VanDerWaalsContact O-CG 3.31Å; S929-Q933 WeakPolarHBondContact O-CG 2.97Å; S929-Q933 PolarHBondContact O-N 3.31Å
930L71.7Confident76.6Confident93 Ų9396.6 Ų96.649%0.48749%0.485SS..Hα-helixtrans-67.6-33.4174.2-73.4165.7000112.1Q926 K934Q926-L930 HydrophobicContact CG-CD1 4.25Å; Q926-L930 VanDerWaalsContact O-CB 3.31Å; Q926-L930 WeakPolarHBondContact O-CB 3.44Å; Q926-L930 WeakPolarHBondContact O-CG 3.28Å; Q926-L930 PolarHBondContact O-N 3.38Å; L930-K934 WeakPolarHBondContact O-CB 2.97Å; L930-K934 PolarHBondContact O-N 2.75Å
931N78.3Confident76.5Confident70 Ų7097.4 Ų97.437%0.37449%0.485SS..Hα-helixtrans-73.3-33.1172.2-83.2-65.5000112.5V927 L928 K934 R935V927-N931 WeakPolarHBondContact CG1-ND2 3.21Å; V927-N931 VanDerWaalsContact O-CB 3.29Å; V927-N931 WeakPolarHBondContact O-CB 3.49Å; V927-N931 PolarHBondContact O-N 3.5Å; V927-N931 PolarHBondContact O-ND2 3.31Å; L928-N931 CarbonylContact O-C 2.85Å; L928-N931 PolarHBondContact O-N 3.29Å; N931-K934 PolarHBondContact O-N 3.49Å; N931-R935 WeakPolarHBondContact O-CB 3.33Å; N931-R935 VanDerWaalsContact O-CG 3.28Å; N931-R935 WeakPolarHBondContact O-CG 3.23Å; N931-R935 PolarHBondContact O-N 3.41Å
932E79.6Confident76.6Confident85 Ų8595.6 Ų95.640%0.39749%0.487SS..Hα-helixtrans-67.3-46.5172.3-178.875-171.900110.3L928 S929 R935 R936L928-E932 VanDerWaalsContact O-CB 3.31Å; L928-E932 WeakPolarHBondContact O-CB 3.24Å; L928-E932 PolarHBondContact O-N 3.47Å; S929-E932 WeakPolarHBondContact O-CB 3.16Å; S929-E932 PolarHBondContact O-N 2.82Å; E932-R935 PolarHBondContact O-N 2.68Å; E932-R936 WeakPolarHBondContact O-CG 3.36Å; E932-R936 PolarHBondContact O-N 3.2Å; E932-R936 IonicContact OE1-CZ 2.69Å; E932-R936 IonicContact OE1-NE 2.73Å; E932-R936 IonicContact OE1-NH2 3.83Å; E932-R936 PolarHBondContact OE1-NH2 3.49Å; E932-R936 VanDerWaalsContact OE1-NH2 3.16Å
933Q73.8Confident77Confident99 Ų9993.7 Ų93.746%0.46349%0.488SS..Hα-helixtrans-60.7-43.3170.8-73.2176-3.800111.6S929 R935 R936 M937S929-Q933 WeakPolarHBondContact O-CB 3.26Å; S929-Q933 VanDerWaalsContact O-CG 3.31Å; S929-Q933 WeakPolarHBondContact O-CG 2.97Å; S929-Q933 PolarHBondContact O-N 3.31Å; Q933-R935 PolarHBondContact O-N 2.77Å; Q933-R936 PolarHBondContact O-N 3.38Å; Q933-M937 WeakPolarHBondContact O-CG 2.94Å; Q933-M937 PolarHBondContact O-N 2.81Å
934K78.7Confident77.1Confident98 Ų9894 Ų9443%0.42649%0.49SS..Hα-helixtrans-60.7-41.7174.2-178.6175.3178.4-77.20111.8L930 N931 M937 E938L930-K934 WeakPolarHBondContact O-CB 2.97Å; L930-K934 PolarHBondContact O-N 2.75Å; N931-K934 PolarHBondContact O-N 3.49Å; K934-M937 CarbonylContact O-C 3.35Å; K934-M937 PolarHBondContact O-N 2.8Å; K934-E938 HydrophobicContact CG-CG 4.47Å; K934-E938 IonicContact NZ-OE1 2.68Å; K934-E938 PolarHBondContact NZ-OE1 2.77Å; K934-E938 IonicContact NZ-OE2 2.88Å; K934-E938 WeakPolarHBondContact O-CB 3.46Å; K934-E938 VanDerWaalsContact O-CG 3.24Å; K934-E938 WeakPolarHBondContact O-CG 3.06Å; K934-E938 PolarHBondContact O-N 3.28Å
935R80.6Confident77Confident165 Ų16591.4 Ų91.462%0.62348%0.477SS*.Hα-helixtrans-65.1-37174.3-78171.5180164.20.4112.7N931 E932 Q933 E938 A939N931-R935 WeakPolarHBondContact O-CB 3.33Å; N931-R935 VanDerWaalsContact O-CG 3.28Å; N931-R935 WeakPolarHBondContact O-CG 3.23Å; N931-R935 PolarHBondContact O-N 3.41Å; E932-R935 PolarHBondContact O-N 2.68Å; Q933-R935 PolarHBondContact O-N 2.77Å; R935-E938 PolarHBondContact O-N 2.76Å; R935-A939 WeakPolarHBondContact O-CB 3.48Å; R935-A939 PolarHBondContact O-N 2.93Å
936R78.8Confident77.2Confident148 Ų14891.3 Ų91.356%0.55848%0.476SS*.Hα-helixtrans-64.5-48.5172.9-69.9176-165.3-162.13.5110.7E932 Q933 E938 A939 E940E932-R936 WeakPolarHBondContact O-CG 3.36Å; E932-R936 PolarHBondContact O-N 3.2Å; E932-R936 IonicContact OE1-CZ 2.69Å; E932-R936 IonicContact OE1-NE 2.73Å; E932-R936 IonicContact OE1-NH2 3.83Å; E932-R936 PolarHBondContact OE1-NH2 3.49Å; E932-R936 VanDerWaalsContact OE1-NH2 3.16Å; Q933-R936 PolarHBondContact O-N 3.38Å; R936-E938 VanDerWaalsContact C-N 3.3Å; R936-E938 PolarHBondContact O-N 2.94Å; R936-A939 CarbonylContact O-C 3.56Å; R936-A939 PolarHBondContact O-N 3.26Å; R936-A939 VanDerWaalsContact O-N 3.08Å; R936-E940 WeakPolarHBondContact O-CB 3.42Å; R936-E940 WeakPolarHBondContact O-CG 3.29Å; R936-E940 PolarHBondContact O-N 3.05Å
937M70.6Confident77.4Confident115 Ų11589.1 Ų89.157%0.56747%0.473SS*.Hα-helixtrans-61.1-34.8172.9-70.1-172.8-68.300112.7Q933 K934 L941Q933-M937 WeakPolarHBondContact O-CG 2.94Å; Q933-M937 PolarHBondContact O-N 2.81Å; K934-M937 CarbonylContact O-C 3.35Å; K934-M937 PolarHBondContact O-N 2.8Å; M937-L941 WeakPolarHBondContact O-CB 3.5Å; M937-L941 PolarHBondContact O-N 2.91Å
938E77.9Confident77.2Confident93 Ų9386.4 Ų86.444%0.43546%0.456SS..Hα-helixtrans-68.4-33.3173.9-77.4170164.400112.5K934 R935 R936 A942K934-E938 HydrophobicContact CG-CG 4.47Å; K934-E938 IonicContact NZ-OE1 2.68Å; K934-E938 PolarHBondContact NZ-OE1 2.77Å; K934-E938 IonicContact NZ-OE2 2.88Å; K934-E938 WeakPolarHBondContact O-CB 3.46Å; K934-E938 VanDerWaalsContact O-CG 3.24Å; K934-E938 WeakPolarHBondContact O-CG 3.06Å; K934-E938 PolarHBondContact O-N 3.28Å; R935-E938 PolarHBondContact O-N 2.76Å; R936-E938 VanDerWaalsContact C-N 3.3Å; R936-E938 PolarHBondContact O-N 2.94Å; E938-A942 WeakPolarHBondContact O-CB 3.15Å; E938-A942 PolarHBondContact O-N 2.78Å; E938-A942 VanDerWaalsContact O-N 3.14Å
939A81.2Confident77Confident64 Ų6485.4 Ų85.453%0.52945%0.448SS..Hα-helixtrans-77.8-40.317500000112.5R935 R936 A942 G943R935-A939 WeakPolarHBondContact O-CB 3.48Å; R935-A939 PolarHBondContact O-N 2.93Å; R936-A939 CarbonylContact O-C 3.56Å; R936-A939 PolarHBondContact O-N 3.26Å; R936-A939 VanDerWaalsContact O-N 3.08Å; A939-A942 WeakPolarHBondContact O-CB 3.46Å; A939-A942 PolarHBondContact O-N 3.36Å; A939-A942 VanDerWaalsContact O-N 3.15Å; A939-G943 PolarHBondContact O-N 2.85Å
940E75.7Confident77.2Confident119 Ų11986 Ų8656%0.55645%0.447SS*.Hα-helixtrans-60.8-47.4171.1-72.9161.4-172.300109.9R936 A942 G943 D944R936-E940 WeakPolarHBondContact O-CB 3.42Å; R936-E940 WeakPolarHBondContact O-CG 3.29Å; R936-E940 PolarHBondContact O-N 3.05Å; E940-A942 PolarHBondContact O-N 3.15Å; E940-G943 CarbonylContact O-C 3.59Å; E940-G943 WeakPolarHBondContact O-CA 3.37Å; E940-G943 PolarHBondContact O-N 3.38Å; E940-D944 WeakPolarHBondContact O-CB 3.12Å; E940-D944 PolarHBondContact O-N 2.79Å
941L73.1Confident77.4Confident80 Ų8086 Ų8642%0.41945%0.447SS..Hα-helixtrans-60.4-28.5173.4-171.677.6000112.8M937 K945M937-L941 WeakPolarHBondContact O-CB 3.5Å; M937-L941 PolarHBondContact O-N 2.91Å; L941-K945 WeakPolarHBondContact O-CB 3.39Å; L941-K945 VanDerWaalsContact O-CD 3.27Å; L941-K945 WeakPolarHBondContact O-CD 3.21Å; L941-K945 WeakPolarHBondContact O-CG 2.81Å; L941-K945 PolarHBondContact O-N 3.47Å
942A79.9Confident77.2Confident56 Ų5686.6 Ų86.646%0.46345%0.447SS..Hα-helixtrans-76.3-38.3173.100000112.3E938 A939 E940 K945 S946E938-A942 WeakPolarHBondContact O-CB 3.15Å; E938-A942 PolarHBondContact O-N 2.78Å; E938-A942 VanDerWaalsContact O-N 3.14Å; A939-A942 WeakPolarHBondContact O-CB 3.46Å; A939-A942 PolarHBondContact O-N 3.36Å; A939-A942 VanDerWaalsContact O-N 3.15Å; E940-A942 PolarHBondContact O-N 3.15Å; A942-K945 PolarHBondContact O-N 3.08Å; A942-S946 PolarHBondContact O-N 3.35Å; A942-S946 VanDerWaalsContact O-N 3.12Å
943G80.4Confident77.2Confident44 Ų4488 Ų8845%0.45445%0.449SS..Hα-helixtrans-62.8-46.5170.900000112.1A939 E940 K945 S946 S947A939-G943 PolarHBondContact O-N 2.85Å; E940-G943 CarbonylContact O-C 3.59Å; E940-G943 WeakPolarHBondContact O-CA 3.37Å; E940-G943 PolarHBondContact O-N 3.38Å; G943-K945 PolarHBondContact O-N 2.99Å; G943-S946 WeakPolarHBondContact O-CB 3.27Å; G943-S946 PolarHBondContact O-N 2.86Å; G943-S947 PolarHBondContact O-N 2.83Å
944D74.4Confident77.5Confident91 Ų9185.7 Ų85.749%0.48744%0.442SS..Hα-helixtrans-56.1-48.9172-82.5-9.6000110.5E940 S946 S947 I948E940-D944 WeakPolarHBondContact O-CB 3.12Å; E940-D944 PolarHBondContact O-N 2.79Å; D944-S946 VanDerWaalsContact C-N 3.28Å; D944-S946 PolarHBondContact O-N 3.11Å; D944-S947 CarbonylContact O-C 3.56Å; D944-S947 WeakPolarHBondContact O-CA 3.34Å; D944-S947 WeakPolarHBondContact O-CB 3.08Å; D944-S947 PolarHBondContact O-N 2.82Å; D944-I948 HydrophobicContact CB-CD1 4.16Å; D944-I948 WeakPolarHBondContact O-CD1 3.45Å; D944-I948 WeakPolarHBondContact O-CG1 3.15Å; D944-I948 PolarHBondContact O-N 2.78Å
945K76.2Confident77.4Confident65 Ų6585.5 Ų85.528%0.28344%0.444SS..Hα-helixtrans-55.6-41.5176.7-78.6162.6-171.7176.40113V645 L941 A942 G943 I948 E949V645-K945 HydrophobicContact CG1-CD 3.85Å; V645-K945 HydrophobicContact CG1-CG 4.44Å; L941-K945 WeakPolarHBondContact O-CB 3.39Å; L941-K945 VanDerWaalsContact O-CD 3.27Å; L941-K945 WeakPolarHBondContact O-CD 3.21Å; L941-K945 WeakPolarHBondContact O-CG 2.81Å; L941-K945 PolarHBondContact O-N 3.47Å; A942-K945 PolarHBondContact O-N 3.08Å; G943-K945 PolarHBondContact O-N 2.99Å; K945-I948 PolarHBondContact O-N 2.91Å; K945-E949 WeakPolarHBondContact O-CB 3.29Å; K945-E949 PolarHBondContact O-N 3.17Å
946S80.5Confident77.4Confident65 Ų6583.2 Ų83.246%0.45544%0.441SS..Hα-helixtrans-63.5-47173.3-167.20000112A942 G943 D944 I948 E949 D950A942-S946 PolarHBondContact O-N 3.35Å; A942-S946 VanDerWaalsContact O-N 3.12Å; G943-S946 WeakPolarHBondContact O-CB 3.27Å; G943-S946 PolarHBondContact O-N 2.86Å; D944-S946 VanDerWaalsContact C-N 3.28Å; D944-S946 PolarHBondContact O-N 3.11Å; S946-I948 VanDerWaalsContact C-N 3.31Å; S946-I948 PolarHBondContact O-N 3.11Å; S946-E949 PolarHBondContact O-N 2.98Å; S946-D950 PolarHBondContact O-N 2.8Å
947S78Confident77.5Confident65 Ų6583.2 Ų83.246%0.45544%0.44SS..Hα-helixtrans-57.6-43.4177.1-1780000111.8G943 D944 D950 L951G943-S947 PolarHBondContact O-N 2.83Å; D944-S947 CarbonylContact O-C 3.56Å; D944-S947 WeakPolarHBondContact O-CA 3.34Å; D944-S947 WeakPolarHBondContact O-CB 3.08Å; D944-S947 PolarHBondContact O-N 2.82Å; S947-D950 PolarHBondContact O-N 3.41Å; S947-L951 WeakPolarHBondContact O-CG 3.48Å; S947-L951 PolarHBondContact O-N 2.81Å
948I74.1Confident78Confident20 Ų2083.1 Ų83.110%0.10344%0.442CS..Hα-helixtrans-78.1-29.6-177.9-41.4143.8000111.4P647 V648 D944 K945 S946 D950 L951 E952P647-I948 HydrophobicContact CB-CG2 3.42Å; P647-I948 VanDerWaalsContact CB-CG2 3.42Å; P647-I948 HydrophobicContact CG-CB 4.14Å; P647-I948 HydrophobicContact CG-CG2 3.45Å; P647-I948 VanDerWaalsContact CG-CG2 3.45Å; V648-I948 HydrophobicContact CB-CD1 4.32Å; V648-I948 HydrophobicContact CG2-CD1 3.39Å; V648-I948 HydrophobicContact CG2-CG1 3.69Å; V648-I948 HydrophobicContact CG2-CG2 4.48Å; D944-I948 HydrophobicContact CB-CD1 4.16Å; D944-I948 WeakPolarHBondContact O-CD1 3.45Å; D944-I948 WeakPolarHBondContact O-CG1 3.15Å; D944-I948 PolarHBondContact O-N 2.78Å; K945-I948 PolarHBondContact O-N 2.91Å; S946-I948 VanDerWaalsContact C-N 3.31Å; S946-I948 PolarHBondContact O-N 3.11Å; I948-D950 VanDerWaalsContact C-N 3.33Å; I948-L951 CarbonylContact O-C 3.42Å; I948-L951 PolarHBondContact O-N 3.43Å; I948-E952 WeakPolarHBondContact O-CG 3.47Å; I948-E952 PolarHBondContact O-N 3.26Å
949E77.1Confident78Confident100 Ų10082.3 Ų82.347%0.46745%0.447SS..Hα-helixtrans-58.7-44.1165.4-85.7-165.8-145.200111.3K945 S946 E952 R953K945-E949 WeakPolarHBondContact O-CB 3.29Å; K945-E949 PolarHBondContact O-N 3.17Å; S946-E949 PolarHBondContact O-N 2.98Å; E949-E952 PolarHBondContact O-N 3.47Å; E949-E952 VanDerWaalsContact O-N 3.17Å; E949-R953 VanDerWaalsContact O-CG 3.24Å; E949-R953 WeakPolarHBondContact O-CG 3.28Å; E949-R953 PolarHBondContact O-N 2.89Å; E949-R953 IonicContact OE2-CZ 3.88Å; E949-R953 IonicContact OE2-NH2 2.65Å; E949-R953 PolarHBondContact OE2-NH2 3.36Å
950D81.1Confident78Confident71 Ų7183.7 Ų83.738%0.3844%0.442SS..Hα-helixtrans-67.9-32.9175.8-81.4-49.7000113S946 S947 I948 R953 T954S946-D950 PolarHBondContact O-N 2.8Å; S947-D950 PolarHBondContact O-N 3.41Å; I948-D950 VanDerWaalsContact C-N 3.33Å; D950-R953 VanDerWaalsContact CG-NH1 3.34Å; D950-R953 WeakPolarHBondContact OD1-CD 3.44Å; D950-R953 IonicContact OD1-CZ 3.63Å; D950-R953 IonicContact OD1-NE 3.7Å; D950-R953 IonicContact OD1-NH1 3.59Å; D950-R953 PolarHBondContact OD1-NH1 2.91Å; D950-R953 IonicContact OD2-NH1 2.71Å; D950-T954 WeakPolarHBondContact O-CB 3.45Å; D950-T954 PolarHBondContact O-N 2.91Å; D950-T954 PolarHBondContact O-OG1 3.41Å
951L75.9Confident78.4Confident93 Ų9380.7 Ų80.749%0.48743%0.434SS..Hα-helixtrans-65.9-38.8167.7-69171.2000112S947 I948 T954 I955S947-L951 WeakPolarHBondContact O-CG 3.48Å; S947-L951 PolarHBondContact O-N 2.81Å; I948-L951 CarbonylContact O-C 3.42Å; I948-L951 PolarHBondContact O-N 3.43Å; L951-T954 CarbonylContact O-C 3.58Å; L951-T954 PolarHBondContact O-N 2.84Å; L951-T954 VanDerWaalsContact O-N 3.17Å; L951-I955 WeakPolarHBondContact O-CB 3.26Å; L951-I955 VanDerWaalsContact O-CG1 3.26Å; L951-I955 WeakPolarHBondContact O-CG1 3.45Å; L951-I955 PolarHBondContact O-N 2.99Å
952E74Confident78.8Confident83 Ų8383 Ų8339%0.38844%0.441SS..Hα-helixtrans-66.3-43.2174.6-70.1-15013300112P647 K650 I948 E949 T954 I955 Q956P647-E952 HydrophobicContact CB-CG 4.17Å; P647-E952 HydrophobicContact CG-CG 4.1Å; K650-E952 IonicContact NZ-OE1 2.75Å; K650-E952 PolarHBondContact NZ-OE1 3.49Å; I948-E952 WeakPolarHBondContact O-CG 3.47Å; I948-E952 PolarHBondContact O-N 3.26Å; E949-E952 PolarHBondContact O-N 3.47Å; E949-E952 VanDerWaalsContact O-N 3.17Å; E952-T954 PolarHBondContact O-N 3.09Å; E952-I955 PolarHBondContact O-N 2.94Å; E952-Q956 WeakPolarHBondContact O-CB 3.18Å; E952-Q956 PolarHBondContact O-N 2.9Å
953R79.6Confident78.9Confident114 Ų11485.3 Ų85.343%0.4344%0.441SS..Hα-helixtrans-59.4-28.4171.1-64.3165.1-156.1168.90.3111.8E949 D950 R957E949-R953 VanDerWaalsContact O-CG 3.24Å; E949-R953 WeakPolarHBondContact O-CG 3.28Å; E949-R953 PolarHBondContact O-N 2.89Å; E949-R953 IonicContact OE2-CZ 3.88Å; E949-R953 IonicContact OE2-NH2 2.65Å; E949-R953 PolarHBondContact OE2-NH2 3.36Å; D950-R953 VanDerWaalsContact CG-NH1 3.34Å; D950-R953 WeakPolarHBondContact OD1-CD 3.44Å; D950-R953 IonicContact OD1-CZ 3.63Å; D950-R953 IonicContact OD1-NE 3.7Å; D950-R953 IonicContact OD1-NH1 3.59Å; D950-R953 PolarHBondContact OD1-NH1 2.91Å; D950-R953 IonicContact OD2-NH1 2.71Å; R953-R957 WeakPolarHBondContact O-CG 3.37Å; R953-R957 PolarHBondContact O-N 2.96Å; R953-R957 PolarHBondContact O-NE 2.83Å
954T80.4Confident79.1Confident51 Ų5187 Ų8731%0.31344%0.439SS..Hα-helixtrans-82.9-42.4177.5-56.40000112D950 L951 E952 Q956 R957 L958D950-T954 WeakPolarHBondContact O-CB 3.45Å; D950-T954 PolarHBondContact O-N 2.91Å; D950-T954 PolarHBondContact O-OG1 3.41Å; L951-T954 CarbonylContact O-C 3.58Å; L951-T954 PolarHBondContact O-N 2.84Å; L951-T954 VanDerWaalsContact O-N 3.17Å; E952-T954 PolarHBondContact O-N 3.09Å; T954-Q956 VanDerWaalsContact C-N 3.29Å; T954-Q956 PolarHBondContact O-N 2.73Å; T954-R957 PolarHBondContact O-N 3.47Å; T954-R957 PolarHBondContact OG1-NH2 2.87Å; T954-L958 HydrophobicContact CG2-CD1 4.26Å; T954-L958 WeakPolarHBondContact O-CB 3.46Å; T954-L958 WeakPolarHBondContact O-CG 3.37Å; T954-L958 PolarHBondContact O-N 2.92Å
955I76.7Confident79.4Confident93 Ų9387.5 Ų87.548%0.47744%0.441SS..Hα-helixtrans-61.3-38.4172.5-70.1163.2000110.8L951 E952 L958 S959L951-I955 WeakPolarHBondContact O-CB 3.26Å; L951-I955 VanDerWaalsContact O-CG1 3.26Å; L951-I955 WeakPolarHBondContact O-CG1 3.45Å; L951-I955 PolarHBondContact O-N 2.99Å; E952-I955 PolarHBondContact O-N 2.94Å; I955-L958 PolarHBondContact O-N 2.68Å; I955-S959 WeakPolarHBondContact O-CB 3.37Å; I955-S959 PolarHBondContact O-N 3.27Å
956Q79.3Confident79.6Confident118 Ų11889 Ų8955%0.55145%0.449SS*.Hα-helixtrans-63.3-51.1175-178.4172.8-20.600111.2E952 T954 L958 S959 E960E952-Q956 WeakPolarHBondContact O-CB 3.18Å; E952-Q956 PolarHBondContact O-N 2.9Å; T954-Q956 VanDerWaalsContact C-N 3.29Å; T954-Q956 PolarHBondContact O-N 2.73Å; Q956-L958 VanDerWaalsContact C-N 3.28Å; Q956-L958 PolarHBondContact O-N 3.34Å; Q956-S959 CarbonylContact O-C 3.57Å; Q956-S959 WeakPolarHBondContact O-CA 3.47Å; Q956-S959 WeakPolarHBondContact O-CB 3.47Å; Q956-S959 PolarHBondContact O-N 3.35Å; Q956-E960 VanDerWaalsContact CG-OE1 3.28Å; Q956-E960 WeakPolarHBondContact CG-OE1 3.45Å; Q956-E960 PolarHBondContact NE2-OE1 3.4Å; Q956-E960 WeakPolarHBondContact O-CG 3.37Å; Q956-E960 PolarHBondContact O-N 2.87Å
957R82.3Confident79.7Confident147 Ų14790 Ų9056%0.55545%0.447SS*.Hα-helixtrans-57.5-38.6175.5-73.8178.1-68.8165.9-0.1112.9R953 T954 E960 S961R953-R957 WeakPolarHBondContact O-CG 3.37Å; R953-R957 PolarHBondContact O-N 2.96Å; R953-R957 PolarHBondContact O-NE 2.83Å; T954-R957 PolarHBondContact O-N 3.47Å; T954-R957 PolarHBondContact OG1-NH2 2.87Å; R957-E960 PolarHBondContact O-N 3.49Å; R957-S961 WeakPolarHBondContact O-CB 3.36Å; R957-S961 PolarHBondContact O-N 3.5Å
958L79.8Confident80Confident113 Ų11392.2 Ų92.259%0.59245%0.45SS*.Hα-helixtrans-69.4-32.3174.1-71.9170.8000112.6T954 I955 Q956 K962T954-L958 HydrophobicContact CG2-CD1 4.26Å; T954-L958 WeakPolarHBondContact O-CB 3.46Å; T954-L958 WeakPolarHBondContact O-CG 3.37Å; T954-L958 PolarHBondContact O-N 2.92Å; I955-L958 PolarHBondContact O-N 2.68Å; Q956-L958 VanDerWaalsContact C-N 3.28Å; Q956-L958 PolarHBondContact O-N 3.34Å; L958-K962 WeakPolarHBondContact O-CB 3.11Å; L958-K962 PolarHBondContact O-N 3.01Å
959S78.1Confident80.1Confident77 Ų7795.6 Ų95.654%0.53847%0.468SS..Hα-helixtrans-74.4-33175-168.60000112.6I955 Q956 K963I955-S959 WeakPolarHBondContact O-CB 3.37Å; I955-S959 PolarHBondContact O-N 3.27Å; Q956-S959 CarbonylContact O-C 3.57Å; Q956-S959 WeakPolarHBondContact O-CA 3.47Å; Q956-S959 WeakPolarHBondContact O-CB 3.47Å; Q956-S959 PolarHBondContact O-N 3.35Å; S959-K963 PolarHBondContact O-N 3.1Å; S959-K963 VanDerWaalsContact O-N 3.12Å
960E82.3Confident80.3Confident92 Ų9296.5 Ų96.543%0.4347%0.472SS..Hα-helixtrans-68.2-53.5172-71.4161.6-179.800109.5Q956 R957 K962 K963 D964Q956-E960 VanDerWaalsContact CG-OE1 3.28Å; Q956-E960 WeakPolarHBondContact CG-OE1 3.45Å; Q956-E960 PolarHBondContact NE2-OE1 3.4Å; Q956-E960 WeakPolarHBondContact O-CG 3.37Å; Q956-E960 PolarHBondContact O-N 2.87Å; R957-E960 PolarHBondContact O-N 3.49Å; E960-K962 VanDerWaalsContact C-N 3.26Å; E960-K962 PolarHBondContact O-N 3.23Å; E960-K963 WeakPolarHBondContact O-CA 3.49Å; E960-K963 WeakPolarHBondContact O-CB 3.48Å; E960-K963 PolarHBondContact O-N 3.23Å; E960-D964 PolarHBondContact O-N 3.01Å
961S83Confident80.5Confident57 Ų5798 Ų9840%0.39948%0.48SS..Hα-helixtrans-58.2-34.8174.4177.50000113.3R957 D964 L965R957-S961 WeakPolarHBondContact O-CB 3.36Å; R957-S961 PolarHBondContact O-N 3.5Å; S961-D964 PolarHBondContact O-N 3Å; S961-L965 WeakPolarHBondContact O-CB 3.29Å; S961-L965 WeakPolarHBondContact O-CG 3.35Å; S961-L965 PolarHBondContact O-N 3.08Å
962K82.4Confident80.7Confident127 Ų12798 Ų9855%0.55248%0.481SS*.Hα-helixtrans-64.3-41.3171.9175.4174.2173.7173.50112.1L958 E960 L965 Q966L958-K962 WeakPolarHBondContact O-CB 3.11Å; L958-K962 PolarHBondContact O-N 3.01Å; E960-K962 VanDerWaalsContact C-N 3.26Å; E960-K962 PolarHBondContact O-N 3.23Å; K962-L965 PolarHBondContact O-N 3.36Å; K962-Q966 WeakPolarHBondContact O-CG 3.35Å; K962-Q966 PolarHBondContact O-N 2.93Å
963K82.2Confident81Confident106 Ų106100 Ų10046%0.46149%0.49SS..Hα-helixtrans-62.5-46.3176.5177.8-174.3162.1-63.10110.1S959 E960 L965 Q966 E967S959-K963 PolarHBondContact O-N 3.1Å; S959-K963 VanDerWaalsContact O-N 3.12Å; E960-K963 WeakPolarHBondContact O-CA 3.49Å; E960-K963 WeakPolarHBondContact O-CB 3.48Å; E960-K963 PolarHBondContact O-N 3.23Å; K963-L965 VanDerWaalsContact C-N 3.31Å; K963-L965 PolarHBondContact O-N 2.88Å; K963-Q966 WeakPolarHBondContact O-CB 3.03Å; K963-Q966 PolarHBondContact O-N 3.3Å; K963-E967 WeakPolarHBondContact CE-OE1 3.4Å; K963-E967 IonicContact NZ-OE1 3.03Å; K963-E967 PolarHBondContact NZ-OE1 2.87Å; K963-E967 IonicContact NZ-OE2 2.8Å; K963-E967 PolarHBondContact NZ-OE2 3.24Å; K963-E967 PolarHBondContact O-N 3.27Å
964D83.6Confident81.1Confident79 Ų7999.9 Ų99.942%0.42250%0.498SS..Hα-helixtrans-60.9-39.9178-56.5-15.8000111.7E960 S961 E967 Q968E960-D964 PolarHBondContact O-N 3.01Å; S961-D964 PolarHBondContact O-N 3Å; D964-E967 PolarHBondContact O-N 3.35Å; D964-Q968 WeakPolarHBondContact O-CB 3.33Å; D964-Q968 VanDerWaalsContact O-CG 3.28Å; D964-Q968 WeakPolarHBondContact O-CG 3.36Å; D964-Q968 PolarHBondContact O-N 2.78Å
965L81Confident81.2Confident102 Ų102102.8 Ų102.853%0.53451%0.508SS..Hα-helixtrans-70.2-27.8174-75.2170.8000113.6S961 K962 K963 N969S961-L965 WeakPolarHBondContact O-CB 3.29Å; S961-L965 WeakPolarHBondContact O-CG 3.35Å; S961-L965 PolarHBondContact O-N 3.08Å; K962-L965 PolarHBondContact O-N 3.36Å; K963-L965 VanDerWaalsContact C-N 3.31Å; K963-L965 PolarHBondContact O-N 2.88Å; L965-N969 WeakPolarHBondContact O-CB 3.33Å; L965-N969 PolarHBondContact O-N 3.44Å
966Q79.6Confident81.3Confident95 Ų95103.2 Ų103.244%0.44452%0.515SS..Hα-helixtrans-72.3-45.1171.8-77.9-173.1-118.700110.9K962 K963 Q968 N969 E970K962-Q966 WeakPolarHBondContact O-CG 3.35Å; K962-Q966 PolarHBondContact O-N 2.93Å; K963-Q966 WeakPolarHBondContact O-CB 3.03Å; K963-Q966 PolarHBondContact O-N 3.3Å; Q966-Q968 VanDerWaalsContact C-N 3.35Å; Q966-Q968 PolarHBondContact O-N 3.32Å; Q966-N969 PolarHBondContact O-N 3.36Å; Q966-E970 PolarHBondContact O-N 2.86Å
967E83.7Confident81.3Confident88 Ų88102 Ų10241%0.41151%0.509SS..Hα-helixtrans-61.1-42.3176.3-73.7170.1-175.800111K963 D964 N969 E970 D971K963-E967 WeakPolarHBondContact CE-OE1 3.4Å; K963-E967 IonicContact NZ-OE1 3.03Å; K963-E967 PolarHBondContact NZ-OE1 2.87Å; K963-E967 IonicContact NZ-OE2 2.8Å; K963-E967 PolarHBondContact NZ-OE2 3.24Å; K963-E967 PolarHBondContact O-N 3.27Å; D964-E967 PolarHBondContact O-N 3.35Å; E967-N969 VanDerWaalsContact C-N 3.29Å; E967-N969 PolarHBondContact O-N 2.71Å; E967-E970 PolarHBondContact O-N 3.24Å; E967-D971 WeakPolarHBondContact O-CB 3.01Å; E967-D971 PolarHBondContact O-N 3.16Å
968Q83.1Confident81.3Confident111 Ų111100.7 Ų100.752%0.51951%0.509SS..Hα-helixtrans-62.1-31.6171.8-73.517228.500114D964 Q966 L972D964-Q968 WeakPolarHBondContact O-CB 3.33Å; D964-Q968 VanDerWaalsContact O-CG 3.28Å; D964-Q968 WeakPolarHBondContact O-CG 3.36Å; D964-Q968 PolarHBondContact O-N 2.78Å; Q966-Q968 VanDerWaalsContact C-N 3.35Å; Q966-Q968 PolarHBondContact O-N 3.32Å; Q968-L972 WeakPolarHBondContact O-CB 3.48Å; Q968-L972 VanDerWaalsContact O-CG 3.24Å; Q968-L972 WeakPolarHBondContact O-CG 3.03Å; Q968-L972 PolarHBondContact O-N 3.16Å
969N77.1Confident81.2Confident90 Ų9097.7 Ų97.748%0.48150%0.501SS..Hα-helixtrans-82.1-31.1179.9-161.33.2000111.6L965 Q966 E967 L972 Q973L965-N969 WeakPolarHBondContact O-CB 3.33Å; L965-N969 PolarHBondContact O-N 3.44Å; Q966-N969 PolarHBondContact O-N 3.36Å; E967-N969 VanDerWaalsContact C-N 3.29Å; E967-N969 PolarHBondContact O-N 2.71Å; N969-L972 PolarHBondContact O-N 3.43Å; N969-Q973 WeakPolarHBondContact O-CB 3.18Å; N969-Q973 WeakPolarHBondContact O-CG 2.98Å; N969-Q973 PolarHBondContact O-N 2.88Å
970E82.1Confident81.1Confident119 Ų11999.7 Ų99.756%0.55650%0.501SS*.Hα-helixtrans-66.6-46.5168.1-71.9174.6-16300110.3Q966 E967 L972 Q973 D974Q966-E970 PolarHBondContact O-N 2.86Å; E967-E970 PolarHBondContact O-N 3.24Å; E970-L972 VanDerWaalsContact C-N 3.3Å; E970-L972 PolarHBondContact O-N 2.84Å; E970-Q973 PolarHBondContact O-N 2.9Å; E970-Q973 VanDerWaalsContact O-N 3.13Å; E970-D974 PolarHBondContact O-N 3.37Å
971D83.8Confident81Confident102 Ų102101.1 Ų101.155%0.54551%0.506SS..Hα-helixtrans-56.2-40171.5-86.7-14.8000112.7E967 Q975E967-D971 WeakPolarHBondContact O-CB 3.01Å; E967-D971 PolarHBondContact O-N 3.16Å; D971-Q975 WeakPolarHBondContact O-CB 3.2Å; D971-Q975 VanDerWaalsContact O-CG 3.25Å; D971-Q975 WeakPolarHBondContact O-CG 3.35Å; D971-Q975 PolarHBondContact O-N 3.24Å; D971-Q975 PolarHBondContact O-NE2 2.81Å
972L80.6Confident80.9Confident95 Ų95104 Ų10450%0.49751%0.513SS..Hα-helixtrans-72.1-36176.7-78.4169.7000112.5Q968 N969 E970 Q975 V976Q968-L972 WeakPolarHBondContact O-CB 3.48Å; Q968-L972 VanDerWaalsContact O-CG 3.24Å; Q968-L972 WeakPolarHBondContact O-CG 3.03Å; Q968-L972 PolarHBondContact O-N 3.16Å; N969-L972 PolarHBondContact O-N 3.43Å; E970-L972 VanDerWaalsContact C-N 3.3Å; E970-L972 PolarHBondContact O-N 2.84Å; L972-Q975 PolarHBondContact O-N 2.8Å; L972-V976 WeakPolarHBondContact O-CG2 3.47Å; L972-V976 PolarHBondContact O-N 3.26Å
973Q80.3Confident80.7Confident124 Ų124101.8 Ų101.858%0.57951%0.507SS*.Hα-helixtrans-66.2-41.7172.9-77.6179.73900111.4N969 E970 V976 H977N969-Q973 WeakPolarHBondContact O-CB 3.18Å; N969-Q973 WeakPolarHBondContact O-CG 2.98Å; N969-Q973 PolarHBondContact O-N 2.88Å; E970-Q973 PolarHBondContact O-N 2.9Å; E970-Q973 VanDerWaalsContact O-N 3.13Å; Q973-V976 PolarHBondContact O-N 3.49Å; Q973-H977 VanDerWaalsContact O-CB 3.27Å; Q973-H977 WeakPolarHBondContact O-CB 3.2Å; Q973-H977 PolarHBondContact O-N 3.39Å
974D81.9Confident80.5Confident112 Ų11299.3 Ų99.360%0.59950%0.501SS*.Hα-helixtrans-67.9-36.7175.3-101.4-1.2000112E970 H977 Q978E970-D974 PolarHBondContact O-N 3.37Å; D974-H977 PolarHBondContact O-N 3.49Å; D974-Q978 WeakPolarHBondContact O-CB 3.23Å; D974-Q978 PolarHBondContact O-N 2.86Å
975Q82.4Confident80.3Confident111 Ų11199.1 Ų99.152%0.51951%0.506SS..Hα-helixtrans-61.4-44.7169.8-78.9170.562.900112.4D971 L972 Q978 A979D971-Q975 WeakPolarHBondContact O-CB 3.2Å; D971-Q975 VanDerWaalsContact O-CG 3.25Å; D971-Q975 WeakPolarHBondContact O-CG 3.35Å; D971-Q975 PolarHBondContact O-N 3.24Å; D971-Q975 PolarHBondContact O-NE2 2.81Å; L972-Q975 PolarHBondContact O-N 2.8Å; Q975-Q978 PolarHBondContact O-N 3.05Å; Q975-A979 VanDerWaalsContact O-CB 3.25Å; Q975-A979 WeakPolarHBondContact O-CB 3.36Å; Q975-A979 PolarHBondContact O-N 2.85Å
976V78.7Confident80.2Confident103 Ų10399.6 Ų99.662%0.62451%0.509SS*.Hα-helixtrans-65.4-40176.1168.60000111.1L972 Q973 A979 H980L972-V976 WeakPolarHBondContact O-CG2 3.47Å; L972-V976 PolarHBondContact O-N 3.26Å; Q973-V976 PolarHBondContact O-N 3.49Å; V976-A979 PolarHBondContact O-N 3.28Å; V976-H980 WeakPolarHBondContact O-CB 3.37Å; V976-H980 PolarHBondContact O-N 3.21Å
977H80.1Confident80Confident93 Ų93100 Ų10043%0.43151%0.511SS..Hα-helixtrans-70.8-36.1178.3-170.867.8000112.2Q973 D974 H980 K981Q973-H977 VanDerWaalsContact O-CB 3.27Å; Q973-H977 WeakPolarHBondContact O-CB 3.2Å; Q973-H977 PolarHBondContact O-N 3.39Å; D974-H977 PolarHBondContact O-N 3.49Å; H977-H980 PolarHBondContact O-N 3.44Å; H977-K981 PolarHBondContact CD2-NZ 2.87Å; H977-K981 VanDerWaalsContact CD2-NZ 3.31Å; H977-K981 WeakPolarHBondContact NE2-CE 3.44Å; H977-K981 PolarHBondContact NE2-NZ 2.72Å; H977-K981 WeakPolarHBondContact O-CB 3.31Å; H977-K981 WeakPolarHBondContact O-CG 3.3Å; H977-K981 PolarHBondContact O-N 3.5Å
978Q81.7Confident79.8Confident118 Ų118103.7 Ų103.755%0.55153%0.525SS*.Hα-helixtrans-68.9-41.7172.5-169.6177.137.900111.3D974 Q975 H980 K981 Q982D974-Q978 WeakPolarHBondContact O-CB 3.23Å; D974-Q978 PolarHBondContact O-N 2.86Å; Q975-Q978 PolarHBondContact O-N 3.05Å; Q978-H980 VanDerWaalsContact C-N 3.35Å; Q978-K981 PolarHBondContact O-N 2.85Å; Q978-Q982 WeakPolarHBondContact O-CB 3.23Å; Q978-Q982 WeakPolarHBondContact O-CG 3.37Å; Q978-Q982 PolarHBondContact O-N 2.78Å
979A76.5Confident79.7Confident51 Ų51101.7 Ų101.742%0.42152%0.522SS..Hα-helixtrans-62.5-40172.500000111.7Q975 V976 Q982 N983Q975-A979 VanDerWaalsContact O-CB 3.25Å; Q975-A979 WeakPolarHBondContact O-CB 3.36Å; Q975-A979 PolarHBondContact O-N 2.85Å; V976-A979 PolarHBondContact O-N 3.28Å; A979-Q982 PolarHBondContact O-N 2.85Å; A979-N983 WeakPolarHBondContact O-CB 3.32Å; A979-N983 PolarHBondContact O-N 2.67Å
980H76.5Confident79.8Confident118 Ų118103.1 Ų103.155%0.54652%0.521SS..Hα-helixtrans-68.5-37175.4-165.3-8.1000112.2V976 H977 Q978 N983 T984V976-H980 WeakPolarHBondContact O-CB 3.37Å; V976-H980 PolarHBondContact O-N 3.21Å; H977-H980 PolarHBondContact O-N 3.44Å; Q978-H980 VanDerWaalsContact C-N 3.35Å; H980-N983 PolarHBondContact O-N 2.81Å; H980-T984 WeakPolarHBondContact O-CB 3.35Å; H980-T984 WeakPolarHBondContact O-CG2 3.19Å; H980-T984 PolarHBondContact O-N 2.83Å; H980-T984 PolarHBondContact O-OG1 3.43Å
981K79.8Confident79.6Confident123 Ų123104.1 Ų104.154%0.53552%0.524SS..Hα-helixtrans-64.6-42.4170.3-84.2168.9167.7159.10112.2H977 Q978 T984 S985H977-K981 PolarHBondContact CD2-NZ 2.87Å; H977-K981 VanDerWaalsContact CD2-NZ 3.31Å; H977-K981 WeakPolarHBondContact NE2-CE 3.44Å; H977-K981 PolarHBondContact NE2-NZ 2.72Å; H977-K981 WeakPolarHBondContact O-CB 3.31Å; H977-K981 WeakPolarHBondContact O-CG 3.3Å; H977-K981 PolarHBondContact O-N 3.5Å; Q978-K981 PolarHBondContact O-N 2.85Å; K981-T984 WeakPolarHBondContact CA-OG1 3.39Å; K981-T984 PolarHBondContact O-OG1 2.86Å; K981-S985 WeakPolarHBondContact O-CB 3.28Å; K981-S985 PolarHBondContact O-N 3.41Å
982Q81.4Confident79.4Confident117 Ų117100.9 Ų100.955%0.54751%0.514SS..Hα-helixtrans-63-46.3173.7-76.6178.4-2.700110.9Q978 A979 T984 S985 L986Q978-Q982 WeakPolarHBondContact O-CB 3.23Å; Q978-Q982 WeakPolarHBondContact O-CG 3.37Å; Q978-Q982 PolarHBondContact O-N 2.78Å; A979-Q982 PolarHBondContact O-N 2.85Å; Q982-T984 PolarHBondContact O-N 3.5Å; Q982-S985 CarbonylContact O-C 3.6Å; Q982-S985 WeakPolarHBondContact O-CB 3.25Å; Q982-S985 PolarHBondContact O-N 3.47Å; Q982-L986 WeakPolarHBondContact O-CB 3.45Å; Q982-L986 VanDerWaalsContact O-CG 3.3Å; Q982-L986 WeakPolarHBondContact O-CG 3.29Å; Q982-L986 PolarHBondContact O-N 3.09Å
983N77.6Confident79.3Confident81 Ų81100.8 Ų100.843%0.43351%0.514SS..Hα-helixtrans-67.1-38.8-178.9-158.430000112.3A979 H980 L986 E987A979-N983 WeakPolarHBondContact O-CB 3.32Å; A979-N983 PolarHBondContact O-N 2.67Å; H980-N983 PolarHBondContact O-N 2.81Å; N983-L986 CarbonylContact O-C 3.57Å; N983-L986 PolarHBondContact O-N 3.37Å; N983-E987 PolarHBondContact O-N 3.49Å
984T78.5Confident79.1Confident53 Ų5399.2 Ų99.233%0.32551%0.507SS..Hα-helixtrans-72.5-27.7173.249.90000112.9H980 K981 Q982 K988H980-T984 WeakPolarHBondContact O-CB 3.35Å; H980-T984 WeakPolarHBondContact O-CG2 3.19Å; H980-T984 PolarHBondContact O-N 2.83Å; H980-T984 PolarHBondContact O-OG1 3.43Å; K981-T984 WeakPolarHBondContact CA-OG1 3.39Å; K981-T984 PolarHBondContact O-OG1 2.86Å; Q982-T984 PolarHBondContact O-N 3.5Å; T984-K988 WeakPolarHBondContact O-CB 3.29Å; T984-K988 WeakPolarHBondContact O-CG 3.35Å; T984-K988 PolarHBondContact O-N 3.11Å
985S80Confident79Confident75 Ų75100 Ų10052%0.52451%0.507SS..Hα-helixtrans-69.4-39.1168.5-1700000111.4K981 Q982 K988 C989K981-S985 WeakPolarHBondContact O-CB 3.28Å; K981-S985 PolarHBondContact O-N 3.41Å; Q982-S985 CarbonylContact O-C 3.6Å; Q982-S985 WeakPolarHBondContact O-CB 3.25Å; Q982-S985 PolarHBondContact O-N 3.47Å; S985-K988 PolarHBondContact O-N 3.29Å; S985-C989 WeakPolarHBondContact O-CB 3.16Å; S985-C989 PolarHBondContact O-N 2.89Å
986L78.1Confident78.8Confident113 Ų11399.8 Ų99.859%0.59251%0.506SS*.Hα-helixtrans-68.9-37174.1-74167.9000111.5Q982 N983 C989 R990Q982-L986 WeakPolarHBondContact O-CB 3.45Å; Q982-L986 VanDerWaalsContact O-CG 3.3Å; Q982-L986 WeakPolarHBondContact O-CG 3.29Å; Q982-L986 PolarHBondContact O-N 3.09Å; N983-L986 CarbonylContact O-C 3.57Å; N983-L986 PolarHBondContact O-N 3.37Å; L986-C989 PolarHBondContact O-N 2.91Å; L986-R990 WeakPolarHBondContact O-CB 3.46Å; L986-R990 PolarHBondContact O-N 3.04Å
987E75.8Confident78.7Confident104 Ų10499 Ų9949%0.48650%0.498SS..Hα-helixtrans-66.9-40.7172.2-78.7-162.6108.700112.5N983 R990 K991N983-E987 PolarHBondContact O-N 3.49Å; E987-R990 PolarHBondContact O-N 3.23Å; E987-K991 WeakPolarHBondContact O-CB 3.27Å; E987-K991 PolarHBondContact O-N 2.87Å
988K80Confident78.7Confident165 Ų16597.5 Ų97.572%0.71749%0.493SS*.Hα-helixtrans-65.1-42.2173-79-177.1177.4-176.60111.9T984 S985 K991 G992T984-K988 WeakPolarHBondContact O-CB 3.29Å; T984-K988 WeakPolarHBondContact O-CG 3.35Å; T984-K988 PolarHBondContact O-N 3.11Å; S985-K988 PolarHBondContact O-N 3.29Å; K988-K991 PolarHBondContact O-N 3.41Å; K988-G992 PolarHBondContact O-N 2.79Å
989C81.3Confident78.6Confident68 Ų6897.6 Ų97.646%0.45950%0.497SS..Hα-helixtrans-67.3-39176.2-171.70000111.2S985 L986 G992 L993S985-C989 WeakPolarHBondContact O-CB 3.16Å; S985-C989 PolarHBondContact O-N 2.89Å; L986-C989 PolarHBondContact O-N 2.91Å; C989-G992 PolarHBondContact O-N 2.91Å; C989-L993 VanDerWaalsContact O-CB 3.27Å; C989-L993 WeakPolarHBondContact O-CB 3.25Å; C989-L993 VanDerWaalsContact O-CG 3.29Å; C989-L993 WeakPolarHBondContact O-CG 3.47Å; C989-L993 PolarHBondContact O-N 3.37Å
990R77.8Confident78.7Confident120 Ų120100 Ų10045%0.45350%0.502SS..Hα-helixtrans-63.7-41.8172.3-172.717579.6137.2-6.3111.6L986 E987 Q994L986-R990 WeakPolarHBondContact O-CB 3.46Å; L986-R990 PolarHBondContact O-N 3.04Å; E987-R990 PolarHBondContact O-N 3.23Å; R990-Q994 WeakPolarHBondContact O-CB 3.16Å; R990-Q994 PolarHBondContact O-N 3.29Å
991K78.8Confident78.8Confident141 Ų14198.6 Ų98.661%0.61349%0.494SS*.Hα-helixtrans-62.4-46.8172.1-88.8-163.6169.4-165.60111.9E987 K988 Q994 E995E987-K991 WeakPolarHBondContact O-CB 3.27Å; E987-K991 PolarHBondContact O-N 2.87Å; K988-K991 PolarHBondContact O-N 3.41Å; K991-Q994 CarbonylContact O-C 3.59Å; K991-Q994 WeakPolarHBondContact O-CA 2.94Å; K991-Q994 PolarHBondContact O-N 2.79Å; K991-E995 WeakPolarHBondContact O-CB 3.18Å; K991-E995 WeakPolarHBondContact O-CG 3.44Å; K991-E995 PolarHBondContact O-N 2.66Å
992G79.4Confident78.8Confident34 Ų3497.9 Ų97.935%0.35150%0.496SS..Hα-helixtrans-59.5-47.1175.500000112.5K988 C989 Q994 E995 E996K988-G992 PolarHBondContact O-N 2.79Å; C989-G992 PolarHBondContact O-N 2.91Å; G992-Q994 PolarHBondContact O-N 2.91Å; G992-E995 PolarHBondContact O-N 2.81Å; G992-E996 WeakPolarHBondContact O-CB 3.04Å; G992-E996 PolarHBondContact O-N 2.91Å
993L77.7Confident78.7Confident92 Ų9297 Ų9748%0.48249%0.492SS..Hα-helixtrans-67.3-17.8174.2-73.7168.1000113.6C989 N997C989-L993 VanDerWaalsContact O-CB 3.27Å; C989-L993 WeakPolarHBondContact O-CB 3.25Å; C989-L993 VanDerWaalsContact O-CG 3.29Å; C989-L993 WeakPolarHBondContact O-CG 3.47Å; C989-L993 PolarHBondContact O-N 3.37Å; L993-N997 VanDerWaalsContact O-CB 3.24Å; L993-N997 WeakPolarHBondContact O-CB 3.46Å; L993-N997 PolarHBondContact O-N 2.86Å; L993-N997 PolarHBondContact O-ND2 2.86Å; L993-N997 VanDerWaalsContact O-ND2 3.14Å
994Q77.3Confident78.4Confident92 Ų9295.4 Ų95.443%0.4349%0.49SS..Hα-helixtrans-90.4-40.5176.3-173.1168.5-15.400111.4R990 K991 G992 E996 N997 D998R990-Q994 WeakPolarHBondContact O-CB 3.16Å; R990-Q994 PolarHBondContact O-N 3.29Å; K991-Q994 CarbonylContact O-C 3.59Å; K991-Q994 WeakPolarHBondContact O-CA 2.94Å; K991-Q994 PolarHBondContact O-N 2.79Å; G992-Q994 PolarHBondContact O-N 2.91Å; Q994-E996 VanDerWaalsContact C-N 3.29Å; Q994-N997 CarbonylContact O-C 3.52Å; Q994-N997 WeakPolarHBondContact O-CB 3.2Å; Q994-N997 PolarHBondContact O-N 2.79Å; Q994-D998 WeakPolarHBondContact O-CB 3.37Å; Q994-D998 PolarHBondContact O-N 3.24Å
995E79.3Confident78.4Confident128 Ų12899.1 Ų99.160%0.59850%0.504SS*.Hα-helixtrans-62.1-38.6166.7-71.5165.4-161.800110.3K991 G992 D998 L999K991-E995 WeakPolarHBondContact O-CB 3.18Å; K991-E995 WeakPolarHBondContact O-CG 3.44Å; K991-E995 PolarHBondContact O-N 2.66Å; G992-E995 PolarHBondContact O-N 2.81Å; E995-D998 PolarHBondContact O-N 2.9Å; E995-L999 WeakPolarHBondContact O-CB 3.35Å; E995-L999 PolarHBondContact O-N 3.49Å
996E79.1Confident78.2Confident107 Ų10799.5 Ų99.550%0.550%0.497SS..Hα-helixtrans-71.1-35.5170.8-171.2173-142.100112G992 Q994 L1000G992-E996 WeakPolarHBondContact O-CB 3.04Å; G992-E996 PolarHBondContact O-N 2.91Å; Q994-E996 VanDerWaalsContact C-N 3.29Å; E996-L1000 HydrophobicContact CG-CD1 4.15Å; E996-L1000 WeakPolarHBondContact O-CB 3.41Å; E996-L1000 WeakPolarHBondContact O-CD1 3.07Å; E996-L1000 WeakPolarHBondContact O-CG 3.49Å; E996-L1000 PolarHBondContact O-N 3.12Å
997N75.6Confident78Confident86 Ų8697.3 Ų97.346%0.4649%0.489SS..Hα-helixtrans-65.9-38.5171.1-114.6-98000112.4L993 Q994 L1000 K1001L993-N997 VanDerWaalsContact O-CB 3.24Å; L993-N997 WeakPolarHBondContact O-CB 3.46Å; L993-N997 PolarHBondContact O-N 2.86Å; L993-N997 PolarHBondContact O-ND2 2.86Å; L993-N997 VanDerWaalsContact O-ND2 3.14Å; Q994-N997 CarbonylContact O-C 3.52Å; Q994-N997 WeakPolarHBondContact O-CB 3.2Å; Q994-N997 PolarHBondContact O-N 2.79Å; N997-L1000 CarbonylContact O-C 3.19Å; N997-L1000 PolarHBondContact O-N 3.44Å; N997-K1001 VanDerWaalsContact O-CG 3.3Å; N997-K1001 WeakPolarHBondContact O-CG 3.09Å; N997-K1001 PolarHBondContact O-N 3.31Å
998D79.5Confident77.7Confident62 Ų6297.1 Ų97.133%0.33249%0.488SS..Hα-helixtrans-76.9-35.9-178.3-67.3-24.4000109.7Q994 E995 K1001 D1002Q994-D998 WeakPolarHBondContact O-CB 3.37Å; Q994-D998 PolarHBondContact O-N 3.24Å; E995-D998 PolarHBondContact O-N 2.9Å; D998-K1001 CarbonylContact O-C 3.53Å; D998-K1001 WeakPolarHBondContact O-CB 3.35Å; D998-K1001 PolarHBondContact O-N 2.84Å; D998-K1001 VanDerWaalsContact O-N 3.11Å; D998-K1001 IonicContact OD1-NZ 2.79Å; D998-K1001 PolarHBondContact OD1-NZ 3.01Å; D998-D1002 PolarHBondContact O-N 2.92Å
999L80.2Confident77.4Confident119 Ų11993.5 Ų93.562%0.62348%0.479SS*.Hα-helixtrans-62.5-39.2163.9-87.7164000113.1E995 K1001 D1002 H1003E995-L999 WeakPolarHBondContact O-CB 3.35Å; E995-L999 PolarHBondContact O-N 3.49Å; L999-K1001 VanDerWaalsContact C-N 3.26Å; L999-K1001 PolarHBondContact O-N 3.41Å; L999-D1002 PolarHBondContact O-N 3.24Å; L999-H1003 VanDerWaalsContact O-CB 3.31Å; L999-H1003 WeakPolarHBondContact O-CB 3Å; L999-H1003 PolarHBondContact O-N 2.83Å
1000L78.8Confident77Confident103 Ų10397.3 Ų97.354%0.53948%0.484SS..Hα-helixtrans-71.4-19.4173-76.3168.7000112.2E996 N997 A1004E996-L1000 HydrophobicContact CG-CD1 4.15Å; E996-L1000 WeakPolarHBondContact O-CB 3.41Å; E996-L1000 WeakPolarHBondContact O-CD1 3.07Å; E996-L1000 WeakPolarHBondContact O-CG 3.49Å; E996-L1000 PolarHBondContact O-N 3.12Å; N997-L1000 CarbonylContact O-C 3.19Å; N997-L1000 PolarHBondContact O-N 3.44Å; L1000-A1004 WeakPolarHBondContact O-CA 3.48Å; L1000-A1004 WeakPolarHBondContact O-CB 3.23Å; L1000-A1004 PolarHBondContact O-N 3.5Å
1001K78.2Confident76.4Confident87 Ų8795 Ų9538%0.37848%0.48SS..Hα-helixtrans-80.1-46.5168.7-77.7169.8-157.5152.60111.4N997 D998 L999 H1003 A1004 E1005N997-K1001 VanDerWaalsContact O-CG 3.3Å; N997-K1001 WeakPolarHBondContact O-CG 3.09Å; N997-K1001 PolarHBondContact O-N 3.31Å; D998-K1001 CarbonylContact O-C 3.53Å; D998-K1001 WeakPolarHBondContact O-CB 3.35Å; D998-K1001 PolarHBondContact O-N 2.84Å; D998-K1001 VanDerWaalsContact O-N 3.11Å; D998-K1001 IonicContact OD1-NZ 2.79Å; D998-K1001 PolarHBondContact OD1-NZ 3.01Å; L999-K1001 VanDerWaalsContact C-N 3.26Å; L999-K1001 PolarHBondContact O-N 3.41Å; K1001-H1003 VanDerWaalsContact C-N 3.27Å; K1001-H1003 PolarHBondContact O-N 3.32Å; K1001-A1004 CarbonylContact O-C 3.48Å; K1001-A1004 WeakPolarHBondContact O-CA 3.29Å; K1001-A1004 PolarHBondContact O-N 3.32Å; K1001-E1005 PolarHBondContact O-N 3.32Å
1002D79.7Confident76Confident108 Ų10894.7 Ų94.758%0.57848%0.479SS*.Hα-helixtrans-57.2-45.4174.1-71.3-3.7000110D998 L999 E1005 E1006D998-D1002 PolarHBondContact O-N 2.92Å; L999-D1002 PolarHBondContact O-N 3.24Å; D1002-E1005 PolarHBondContact O-N 2.86Å; D1002-E1006 PolarHBondContact O-N 3.1Å
1003H79.1Confident75.5Confident98 Ų9896.2 Ų96.245%0.45449%0.489SS..Hα-helixtrans-74.9-24.2174.1-157.955.6000112.8L999 K1001 E1006 V1007L999-H1003 VanDerWaalsContact O-CB 3.31Å; L999-H1003 WeakPolarHBondContact O-CB 3Å; L999-H1003 PolarHBondContact O-N 2.83Å; K1001-H1003 VanDerWaalsContact C-N 3.27Å; K1001-H1003 PolarHBondContact O-N 3.32Å; H1003-E1006 IonicContact CE1-OE2 3.96Å; H1003-E1006 PolarHBondContact CE1-OE2 3.45Å; H1003-E1006 VanDerWaalsContact CE1-OE2 3.24Å; H1003-E1006 IonicContact ND1-OE2 3.53Å; H1003-E1006 PolarHBondContact ND1-OE2 2.84Å; H1003-V1007 WeakPolarHBondContact O-CA 3.32Å; H1003-V1007 WeakPolarHBondContact O-CB 3.38Å; H1003-V1007 WeakPolarHBondContact O-CG2 3.28Å; H1003-V1007 PolarHBondContact O-N 2.91Å
1004A73.2Confident74.9Confident49 Ų4995.2 Ų95.241%0.40549%0.486SS..Hα-helixtrans-72.8-27.4166.900000112.5L1000 K1001 V1007 Q1008L1000-A1004 WeakPolarHBondContact O-CA 3.48Å; L1000-A1004 WeakPolarHBondContact O-CB 3.23Å; L1000-A1004 PolarHBondContact O-N 3.5Å; K1001-A1004 CarbonylContact O-C 3.48Å; K1001-A1004 WeakPolarHBondContact O-CA 3.29Å; K1001-A1004 PolarHBondContact O-N 3.32Å; A1004-V1007 CarbonylContact O-C 3.59Å; A1004-Q1008 WeakPolarHBondContact O-CA 3.49Å; A1004-Q1008 WeakPolarHBondContact O-CB 3.5Å; A1004-Q1008 PolarHBondContact O-N 2.76Å
1005E77.1Confident74Confident131 Ų13194.4 Ų94.461%0.61248%0.482SS*.Hα-helixtrans-76.3-38.3172.3-74.8-165.1-17700110.9K1001 D1002 Q1008 T1009K1001-E1005 PolarHBondContact O-N 3.32Å; D1002-E1005 PolarHBondContact O-N 2.86Å; E1005-Q1008 CarbonylContact O-C 3.56Å; E1005-Q1008 PolarHBondContact O-N 3.32Å; E1005-T1009 PolarHBondContact O-N 3.28Å; E1005-T1009 PolarHBondContact O-OG1 2.96Å
1006E75.9Confident73.2Confident82 Ų8291.6 Ų91.638%0.38348%0.481SS..Hα-helixtrans-63.9-44.9168.7-161-161.1169.900110.9D1002 H1003 Q1008 T1009 R1010D1002-E1006 PolarHBondContact O-N 3.1Å; H1003-E1006 IonicContact CE1-OE2 3.96Å; H1003-E1006 PolarHBondContact CE1-OE2 3.45Å; H1003-E1006 VanDerWaalsContact CE1-OE2 3.24Å; H1003-E1006 IonicContact ND1-OE2 3.53Å; H1003-E1006 PolarHBondContact ND1-OE2 2.84Å; E1006-Q1008 VanDerWaalsContact C-N 3.3Å; E1006-Q1008 PolarHBondContact O-N 2.86Å; E1006-T1009 WeakPolarHBondContact CA-OG1 3.06Å; E1006-T1009 PolarHBondContact O-OG1 3.41Å; E1006-R1010 WeakPolarHBondContact O-CB 3.02Å; E1006-R1010 WeakPolarHBondContact O-CG 3.28Å; E1006-R1010 PolarHBondContact O-N 2.83Å; E1006-R1010 IonicContact OE1-CZ 3.57Å; E1006-R1010 IonicContact OE1-NE 2.68Å; E1006-R1010 IonicContact OE1-NH2 3.74Å; E1006-R1010 PolarHBondContact OE1-NH2 3.32Å
1007V74.4Confident72.5Confident67 Ų6792.8 Ų92.841%0.40649%0.487SS..Hα-helixtrans-68.7-27172.9169.10000111.3H1003 A1004 R1010 L1011H1003-V1007 WeakPolarHBondContact O-CA 3.32Å; H1003-V1007 WeakPolarHBondContact O-CB 3.38Å; H1003-V1007 WeakPolarHBondContact O-CG2 3.28Å; H1003-V1007 PolarHBondContact O-N 2.91Å; A1004-V1007 CarbonylContact O-C 3.59Å; V1007-R1010 CarbonylContact O-C 3.52Å; V1007-L1011 WeakPolarHBondContact O-CA 2.99Å; V1007-L1011 WeakPolarHBondContact O-CB 2.92Å; V1007-L1011 PolarHBondContact O-N 3.47Å
1008Q70Confident71.6Confident101 Ų10192.3 Ų92.347%0.47248%0.48SS..Hα-helixtrans-85-25.3178.8-173.4177.224.200112.4A1004 E1005 E1006 L1011 K1012A1004-Q1008 WeakPolarHBondContact O-CA 3.49Å; A1004-Q1008 WeakPolarHBondContact O-CB 3.5Å; A1004-Q1008 PolarHBondContact O-N 2.76Å; E1005-Q1008 CarbonylContact O-C 3.56Å; E1005-Q1008 PolarHBondContact O-N 3.32Å; E1006-Q1008 VanDerWaalsContact C-N 3.3Å; E1006-Q1008 PolarHBondContact O-N 2.86Å; Q1008-L1011 CarbonylContact O-C 3.57Å; Q1008-L1011 PolarHBondContact O-N 3.44Å; Q1008-K1012 WeakPolarHBondContact O-CB 3.35Å; Q1008-K1012 VanDerWaalsContact O-CG 3.29Å; Q1008-K1012 WeakPolarHBondContact O-CG 3.36Å; Q1008-K1012 PolarHBondContact O-N 2.81Å
1009T73.2Confident70.6Confident88 Ų8892.4 Ų92.454%0.5449%0.486SS..Hα-helixtrans-72.6-40.316543.70000110.6E1005 E1006 L1011 K1012 A1013E1005-T1009 PolarHBondContact O-N 3.28Å; E1005-T1009 PolarHBondContact O-OG1 2.96Å; E1006-T1009 WeakPolarHBondContact CA-OG1 3.06Å; E1006-T1009 PolarHBondContact O-OG1 3.41Å; T1009-L1011 VanDerWaalsContact C-N 3.32Å; T1009-K1012 PolarHBondContact O-N 3.31Å; T1009-A1013 PolarHBondContact O-N 3.18Å
1010R73.7Confident69.7Low149 Ų14991.3 Ų91.356%0.56248%0.484SS*.Hα-helixtrans-63.8-34.4165-66.5179.3-166.8-170.96.5112.3E1006 V1007 A1013 V1014E1006-R1010 WeakPolarHBondContact O-CB 3.02Å; E1006-R1010 WeakPolarHBondContact O-CG 3.28Å; E1006-R1010 PolarHBondContact O-N 2.83Å; E1006-R1010 IonicContact OE1-CZ 3.57Å; E1006-R1010 IonicContact OE1-NE 2.68Å; E1006-R1010 IonicContact OE1-NH2 3.74Å; E1006-R1010 PolarHBondContact OE1-NH2 3.32Å; V1007-R1010 CarbonylContact O-C 3.52Å; R1010-A1013 WeakPolarHBondContact O-CB 2.9Å; R1010-A1013 PolarHBondContact O-N 2.76Å; R1010-V1014 WeakPolarHBondContact O-CG2 2.99Å; R1010-V1014 PolarHBondContact O-N 3.43Å
1011L64.8Low68.9Low70 Ų7091.5 Ų91.537%0.36649%0.485SS..Hα-helixtrans-73.2-31.3178.1-163.572000110.3V1007 Q1008 T1009 A1013 V1014 Q1015V1007-L1011 WeakPolarHBondContact O-CA 2.99Å; V1007-L1011 WeakPolarHBondContact O-CB 2.92Å; V1007-L1011 PolarHBondContact O-N 3.47Å; Q1008-L1011 CarbonylContact O-C 3.57Å; Q1008-L1011 PolarHBondContact O-N 3.44Å; T1009-L1011 VanDerWaalsContact C-N 3.32Å; L1011-A1013 VanDerWaalsContact C-N 3.34Å; L1011-V1014 CarbonylContact O-C 3.51Å; L1011-V1014 PolarHBondContact O-N 3.02Å; L1011-Q1015 HydrophobicContact CG-CG 4.05Å; L1011-Q1015 WeakPolarHBondContact O-CA 3Å; L1011-Q1015 WeakPolarHBondContact O-CB 3.38Å; L1011-Q1015 WeakPolarHBondContact O-CG 3.08Å; L1011-Q1015 PolarHBondContact O-N 3.49Å; L1011-Q1015 PolarHBondContact O-OE1 3Å
1012K69.3Low67.7Low135 Ų13591.1 Ų91.159%0.58749%0.485SS*.Hα-helixtrans-64.1-39.9169.7-79.5167.4-179.8172.80111.1Q1008 T1009 Q1015 A1016Q1008-K1012 WeakPolarHBondContact O-CB 3.35Å; Q1008-K1012 VanDerWaalsContact O-CG 3.29Å; Q1008-K1012 WeakPolarHBondContact O-CG 3.36Å; Q1008-K1012 PolarHBondContact O-N 2.81Å; T1009-K1012 PolarHBondContact O-N 3.31Å; K1012-Q1015 PolarHBondContact O-N 3.43Å; K1012-A1016 PolarHBondContact O-N 2.91Å
1013A69.6Low66.8Low67 Ų6793.2 Ų93.255%0.55449%0.491SS*.Hα-helixtrans-64.7-46.7171.200000112T1009 R1010 L1011 Q1015 A1016T1009-A1013 PolarHBondContact O-N 3.18Å; R1010-A1013 WeakPolarHBondContact O-CB 2.9Å; R1010-A1013 PolarHBondContact O-N 2.76Å; L1011-A1013 VanDerWaalsContact C-N 3.34Å; A1013-Q1015 VanDerWaalsContact C-N 3.28Å; A1013-Q1015 PolarHBondContact O-N 2.97Å; A1013-A1016 WeakPolarHBondContact O-CB 3.39Å; A1013-A1016 PolarHBondContact O-N 3.26Å
1014V64.9Low66Low70 Ų7092.4 Ų92.442%0.42449%0.493SS..Hα-helixtrans-73-16.7176.9174.20000112.4R1010 L1011 E1017 K1018R1010-V1014 WeakPolarHBondContact O-CG2 2.99Å; R1010-V1014 PolarHBondContact O-N 3.43Å; L1011-V1014 CarbonylContact O-C 3.51Å; L1011-V1014 PolarHBondContact O-N 3.02Å; V1014-E1017 CarbonylContact O-C 3.54Å; V1014-E1017 WeakPolarHBondContact O-CB 3.4Å; V1014-E1017 PolarHBondContact O-N 2.77Å; V1014-K1018 VanDerWaalsContact O-CB 3.25Å; V1014-K1018 WeakPolarHBondContact O-CB 3.4Å; V1014-K1018 PolarHBondContact O-N 3.43Å
1015Q58.9Low65.4Low76 Ų7693.1 Ų93.136%0.35549%0.492SS..Hα-helixtrans-84-22.8174.4-83.3172.5-65.400112.2L1011 K1012 A1013 E1017 K1018 S1019L1011-Q1015 HydrophobicContact CG-CG 4.05Å; L1011-Q1015 WeakPolarHBondContact O-CA 3Å; L1011-Q1015 WeakPolarHBondContact O-CB 3.38Å; L1011-Q1015 WeakPolarHBondContact O-CG 3.08Å; L1011-Q1015 PolarHBondContact O-N 3.49Å; L1011-Q1015 PolarHBondContact O-OE1 3Å; K1012-Q1015 PolarHBondContact O-N 3.43Å; A1013-Q1015 VanDerWaalsContact C-N 3.28Å; A1013-Q1015 PolarHBondContact O-N 2.97Å; Q1015-E1017 PolarHBondContact O-N 3.33Å; Q1015-K1018 HydrophobicContact CG-CB 4.39Å; Q1015-K1018 HydrophobicContact CG-CD 4.33Å; Q1015-K1018 PolarHBondContact O-N 3.37Å; Q1015-S1019 VanDerWaalsContact O-CB 3.31Å; Q1015-S1019 WeakPolarHBondContact O-CB 3.13Å; Q1015-S1019 PolarHBondContact O-N 3.39Å
1016A62.5Low64.8Low69 Ų6993.1 Ų93.157%0.5749%0.492SS*.Hα-helixtrans-56.4-44.716100000109.8K1012 A1013 S1019K1012-A1016 PolarHBondContact O-N 2.91Å; A1013-A1016 WeakPolarHBondContact O-CB 3.39Å; A1013-A1016 PolarHBondContact O-N 3.26Å; A1016-S1019 PolarHBondContact O-OG 3.08Å
1017E63.1Low64.2Low132 Ų13293.2 Ų93.262%0.61750%0.498SS*.Hα-helixtrans-70.5-50.1173-57.2-176.112600112.3V1014 Q1015 S1019 T1020V1014-E1017 CarbonylContact O-C 3.54Å; V1014-E1017 WeakPolarHBondContact O-CB 3.4Å; V1014-E1017 PolarHBondContact O-N 2.77Å; Q1015-E1017 PolarHBondContact O-N 3.33Å; E1017-S1019 PolarHBondContact O-N 2.8Å; E1017-T1020 WeakPolarHBondContact O-CB 3.39Å; E1017-T1020 PolarHBondContact O-N 3.46Å; E1017-T1020 PolarHBondContact O-OG1 2.63Å
1018K56.6Low63.6Low75 Ų7595.4 Ų95.433%0.32651%0.507SS..Hα-helixtrans-63.7-24.3-175.1-159.8-167.3176.5-145.90113V1014 Q1015 T1020 L1021 E1022V1014-K1018 VanDerWaalsContact O-CB 3.25Å; V1014-K1018 WeakPolarHBondContact O-CB 3.4Å; V1014-K1018 PolarHBondContact O-N 3.43Å; Q1015-K1018 HydrophobicContact CG-CB 4.39Å; Q1015-K1018 HydrophobicContact CG-CD 4.33Å; Q1015-K1018 PolarHBondContact O-N 3.37Å; K1018-T1020 PolarHBondContact O-N 3.28Å; K1018-T1020 VanDerWaalsContact O-N 3.16Å; K1018-L1021 CarbonylContact O-C 3.53Å; K1018-L1021 WeakPolarHBondContact O-CA 3.43Å; K1018-L1021 PolarHBondContact O-N 2.82Å; K1018-E1022 HydrophobicContact CD-CG 4.25Å; K1018-E1022 VanDerWaalsContact CD-OE2 3.25Å; K1018-E1022 WeakPolarHBondContact CD-OE2 3.31Å; K1018-E1022 WeakPolarHBondContact CE-OE1 3.46Å; K1018-E1022 WeakPolarHBondContact CE-OE2 2.99Å; K1018-E1022 HydrophobicContact CG-CG 4.1Å; K1018-E1022 IonicContact NZ-OE1 2.69Å; K1018-E1022 PolarHBondContact NZ-OE1 2.73Å; K1018-E1022 IonicContact NZ-OE2 3.47Å; K1018-E1022 PolarHBondContact NZ-OE2 3.48Å; K1018-E1022 VanDerWaalsContact NZ-OE2 3.11Å; K1018-E1022 PolarHBondContact O-N 2.75Å
1019S60.5Low63.1Low65 Ų6597.3 Ų97.346%0.45551%0.514SS..Hα-helixtrans-53.1-34.1171.870.70000112.3Q1015 A1016 E1017Q1015-S1019 VanDerWaalsContact O-CB 3.31Å; Q1015-S1019 WeakPolarHBondContact O-CB 3.13Å; Q1015-S1019 PolarHBondContact O-N 3.39Å; A1016-S1019 PolarHBondContact O-OG 3.08Å; E1017-S1019 PolarHBondContact O-N 2.8Å
1020T61.1Low62.5Low96 Ų9698.9 Ų98.959%0.58952%0.515SS*.Hα-helixtrans-77.5-20.7176.571.90000113.5E1017 K1018E1017-T1020 WeakPolarHBondContact O-CB 3.39Å; E1017-T1020 PolarHBondContact O-N 3.46Å; E1017-T1020 PolarHBondContact O-OG1 2.63Å; K1018-T1020 PolarHBondContact O-N 3.28Å; K1018-T1020 VanDerWaalsContact O-N 3.16Å
1021L60.5Low61.8Low106 Ų10695.6 Ų95.656%0.55551%0.512SS*.Hα-helixtrans-94.5-38.4178.8-79.3160.3000112.6K1018 Q1023 T1024 V1025K1018-L1021 CarbonylContact O-C 3.53Å; K1018-L1021 WeakPolarHBondContact O-CA 3.43Å; K1018-L1021 PolarHBondContact O-N 2.82Å; L1021-Q1023 PolarHBondContact O-N 3.46Å; L1021-T1024 WeakPolarHBondContact O-CB 3.03Å; L1021-T1024 PolarHBondContact O-N 3.43Å; L1021-T1024 PolarHBondContact O-OG1 3.11Å; L1021-V1025 PolarHBondContact O-N 3.24Å
1022E54.4Low61.7Low80 Ų8096.6 Ų96.637%0.37452%0.517SS..Hα-helixtrans-67.3-23.3-177-89.5178.3131.600113.5K1018 T1024 V1025 H1026K1018-E1022 HydrophobicContact CD-CG 4.25Å; K1018-E1022 VanDerWaalsContact CD-OE2 3.25Å; K1018-E1022 WeakPolarHBondContact CD-OE2 3.31Å; K1018-E1022 WeakPolarHBondContact CE-OE1 3.46Å; K1018-E1022 WeakPolarHBondContact CE-OE2 2.99Å; K1018-E1022 HydrophobicContact CG-CG 4.1Å; K1018-E1022 IonicContact NZ-OE1 2.69Å; K1018-E1022 PolarHBondContact NZ-OE1 2.73Å; K1018-E1022 IonicContact NZ-OE2 3.47Å; K1018-E1022 PolarHBondContact NZ-OE2 3.48Å; K1018-E1022 VanDerWaalsContact NZ-OE2 3.11Å; K1018-E1022 PolarHBondContact O-N 2.75Å; E1022-T1024 PolarHBondContact O-N 2.75Å; E1022-V1025 PolarHBondContact O-N 3.02Å; E1022-V1025 VanDerWaalsContact O-N 3.07Å; E1022-H1026 WeakPolarHBondContact O-CB 3.46Å; E1022-H1026 PolarHBondContact O-N 3.09Å
1023Q60.3Low61.2Low151 Ų15192.5 Ų92.571%0.70651%0.508SS*.Hα-helixtrans-56.9-31.1167.3-70.5-176.4-9.200112.7L1021 T1027L1021-Q1023 PolarHBondContact O-N 3.46Å; Q1023-T1027 PolarHBondContact O-OG1 2.64Å
1024T62.1Low60.8Low81 Ų8199 Ų9950%0.49752%0.518SS..Hα-helixtrans-84.2-22.9176.173.60000113.4L1021 E1022 T1027L1021-T1024 WeakPolarHBondContact O-CB 3.03Å; L1021-T1024 PolarHBondContact O-N 3.43Å; L1021-T1024 PolarHBondContact O-OG1 3.11Å; E1022-T1024 PolarHBondContact O-N 2.75Å; T1024-T1027 PolarHBondContact O-OG1 3.09Å
1025V59.8Low60.5Low64 Ų64102.5 Ų102.539%0.38853%0.53SS..Hα-helixtrans-83.5-30.9176.8-179.80000111L1021 E1022 T1027 L1028 K1029L1021-V1025 PolarHBondContact O-N 3.24Å; E1022-V1025 PolarHBondContact O-N 3.02Å; E1022-V1025 VanDerWaalsContact O-N 3.07Å; V1025-T1027 VanDerWaalsContact C-N 3.34Å; V1025-T1027 PolarHBondContact O-N 2.69Å; V1025-L1028 PolarHBondContact O-N 3.4Å; V1025-L1028 VanDerWaalsContact O-N 3.11Å; V1025-K1029 PolarHBondContact O-N 2.69Å
1026H64.4Low60.5Low132 Ų132103.6 Ų103.661%0.61154%0.535SS*.Hα-helixtrans-58.2-46.1177.2-165.165.2000111.4E1022 L1028 K1029 E1030E1022-H1026 WeakPolarHBondContact O-CB 3.46Å; E1022-H1026 PolarHBondContact O-N 3.09Å; H1026-L1028 PolarHBondContact O-N 3.1Å; H1026-K1029 PolarHBondContact O-N 3.44Å; H1026-K1029 VanDerWaalsContact O-N 3.09Å; H1026-E1030 PolarHBondContact O-N 3.2Å; H1026-E1030 VanDerWaalsContact O-N 3.09Å
1027T65Low60.3Low83 Ų83107.2 Ų107.251%0.50954%0.538SS..Hα-helixtrans-61.4-27.6176.4-10000113.4Q1023 T1024 V1025Q1023-T1027 PolarHBondContact O-OG1 2.64Å; T1024-T1027 PolarHBondContact O-OG1 3.09Å; V1025-T1027 VanDerWaalsContact C-N 3.34Å; V1025-T1027 PolarHBondContact O-N 2.69Å
1028L61.2Low60Low114 Ų114106.6 Ų106.660%0.59754%0.539SS*.Hα-helixtrans-83.4-29.2176-67.7171.6000112.5V1025 H1026 T1031V1025-L1028 PolarHBondContact O-N 3.4Å; V1025-L1028 VanDerWaalsContact O-N 3.11Å; H1026-L1028 PolarHBondContact O-N 3.1Å; L1028-T1031 PolarHBondContact O-N 3.44Å; L1028-T1031 PolarHBondContact O-OG1 2.88Å
1029K59.5Low60Low140 Ų140109.1 Ų109.161%0.60955%0.552SS**Hα-helixtrans-72-33.6172.7-76.1-169.3172.8-172.60112.7V1025 H1026 T1031 I1032 A1033V1025-K1029 PolarHBondContact O-N 2.69Å; H1026-K1029 PolarHBondContact O-N 3.44Å; H1026-K1029 VanDerWaalsContact O-N 3.09Å; K1029-T1031 PolarHBondContact O-N 3.44Å; K1029-I1032 PolarHBondContact O-N 3.24Å; K1029-A1033 PolarHBondContact O-N 2.73Å
1030E60.5Low59.9Low121 Ų121110.9 Ų110.957%0.56556%0.556SS**Hα-helixtrans-58-35.1172.3-70.9-170.1113.300112.9H1026 R1034H1026-E1030 PolarHBondContact O-N 3.2Å; H1026-E1030 VanDerWaalsContact O-N 3.09Å; E1030-R1034 PolarHBondContact O-N 2.73Å
1031T59.8Low59.7Low80 Ų80113.4 Ų113.449%0.49156%0.56SS.*Hα-helixtrans-69.1-29.3173.528.20000113.9L1028 K1029 R1034L1028-T1031 PolarHBondContact O-N 3.44Å; L1028-T1031 PolarHBondContact O-OG1 2.88Å; K1029-T1031 PolarHBondContact O-N 3.44Å; T1031-R1034 WeakPolarHBondContact O-CB 3.35Å; T1031-R1034 PolarHBondContact O-N 3.07Å
1032I61.2Low59.3Low92 Ų92113.6 Ų113.647%0.47256%0.561SS.*Hα-helixtrans-76-44.2176-62.3170.8000110.1K1029 R1034 Q1035 E1036K1029-I1032 PolarHBondContact O-N 3.24Å; I1032-R1034 PolarHBondContact O-N 3.22Å; I1032-Q1035 WeakPolarHBondContact O-CA 3.36Å; I1032-Q1035 WeakPolarHBondContact O-CB 3.42Å; I1032-Q1035 PolarHBondContact O-N 3.27Å; I1032-E1036 PolarHBondContact O-N 2.74Å
1033A59.1Low59.5Low49 Ų49112 Ų11241%0.40556%0.56SS.*Hα-helixtrans-57.6-20.417200000113.5K1029 E1036 K1037K1029-A1033 PolarHBondContact O-N 2.73Å; A1033-E1036 WeakPolarHBondContact CA-OE2 3.5Å; A1033-K1037 PolarHBondContact O-N 2.73Å
1034R61.3Low59.4Low204 Ų204114.3 Ų114.377%0.7756%0.562SS**THydrogen-bonded Turntrans-78.8-23172.5-128.2175-173.3167.83.7114E1030 T1031 I1032E1030-R1034 PolarHBondContact O-N 2.73Å; T1031-R1034 WeakPolarHBondContact O-CB 3.35Å; T1031-R1034 PolarHBondContact O-N 3.07Å; I1032-R1034 PolarHBondContact O-N 3.22Å
1035Q58.2Low58.9Low143 Ų143116.6 Ų116.667%0.66857%0.567SS**THydrogen-bonded Turntrans-86.9-37.1172.1-66.3-173.5-25.700111.4I1032 K1037 N1038I1032-Q1035 WeakPolarHBondContact O-CA 3.36Å; I1032-Q1035 WeakPolarHBondContact O-CB 3.42Å; I1032-Q1035 PolarHBondContact O-N 3.27Å; Q1035-K1037 PolarHBondContact O-N 2.72Å; Q1035-N1038 WeakPolarHBondContact O-CB 2.85Å; Q1035-N1038 PolarHBondContact O-N 2.76Å
1036E58.6Low58.7Low98 Ų98119.2 Ų119.246%0.45857%0.573SS.*Hα-helixtrans-53.8-22166.8-64.7169.3-17100111.9I1032 A1033 N1038 E1039 L1040I1032-E1036 PolarHBondContact O-N 2.74Å; A1033-E1036 WeakPolarHBondContact CA-OE2 3.5Å; E1036-N1038 VanDerWaalsContact C-N 3.29Å; E1036-N1038 PolarHBondContact O-N 2.63Å; E1036-E1039 CarbonylContact O-C 3.53Å; E1036-E1039 WeakPolarHBondContact O-CA 3.33Å; E1036-E1039 VanDerWaalsContact O-CB 3.29Å; E1036-E1039 WeakPolarHBondContact O-CB 3.23Å; E1036-E1039 PolarHBondContact O-N 2.72Å; E1036-E1039 VanDerWaalsContact O-N 3.11Å; E1036-L1040 PolarHBondContact O-N 2.81Å
1037K59.4Low58.4Low145 Ų145119.6 Ų119.663%0.6357%0.573SS**Hα-helixtrans-66.8-24.5173.8-162.8168.6-175.7174.30114.3A1033 Q1035 L1040 Q1041A1033-K1037 PolarHBondContact O-N 2.73Å; Q1035-K1037 PolarHBondContact O-N 2.72Å; K1037-L1040 WeakPolarHBondContact O-CB 3Å; K1037-L1040 PolarHBondContact O-N 2.63Å; K1037-Q1041 PolarHBondContact O-N 2.78Å
1038N57.7Low58.1Low120 Ų120121 Ų12164%0.64258%0.577SS**Hα-helixtrans-74.4-38.1169.1-72-9.5000110.5Q1035 E1036 L1040 Q1041 L1042Q1035-N1038 WeakPolarHBondContact O-CB 2.85Å; Q1035-N1038 PolarHBondContact O-N 2.76Å; E1036-N1038 VanDerWaalsContact C-N 3.29Å; E1036-N1038 PolarHBondContact O-N 2.63Å; N1038-L1040 PolarHBondContact O-N 3.37Å; N1038-Q1041 PolarHBondContact O-N 3.04Å; N1038-Q1041 VanDerWaalsContact O-N 3.16Å; N1038-L1042 PolarHBondContact O-N 3.17Å; N1038-L1042 VanDerWaalsContact O-N 3.14Å
1039E55.6Low57.9Low128 Ų128120.5 Ų120.560%0.59857%0.574SS**Hα-helixtrans-61.4-22.7167.3-53-176.4123.800111.7E1036 L1042 S1043E1036-E1039 CarbonylContact O-C 3.53Å; E1036-E1039 WeakPolarHBondContact O-CA 3.33Å; E1036-E1039 VanDerWaalsContact O-CB 3.29Å; E1036-E1039 WeakPolarHBondContact O-CB 3.23Å; E1036-E1039 PolarHBondContact O-N 2.72Å; E1036-E1039 VanDerWaalsContact O-N 3.11Å; E1039-L1042 CarbonylContact O-C 3.58Å; E1039-L1042 VanDerWaalsContact O-CB 3.22Å; E1039-L1042 WeakPolarHBondContact O-CB 3.4Å; E1039-S1043 WeakPolarHBondContact O-CB 2.98Å; E1039-S1043 PolarHBondContact O-N 2.76Å
1040L58.6Low57.8Low102 Ų102117.4 Ų117.453%0.53456%0.562SS.*Hα-helixtrans-82.6-20.4177.1-150.8141.3000113.9E1036 K1037 N1038 S1043 R1044E1036-L1040 PolarHBondContact O-N 2.81Å; K1037-L1040 WeakPolarHBondContact O-CB 3Å; K1037-L1040 PolarHBondContact O-N 2.63Å; N1038-L1040 PolarHBondContact O-N 3.37Å; L1040-S1043 WeakPolarHBondContact O-CB 3.35Å; L1040-S1043 PolarHBondContact O-N 3.15Å; L1040-R1044 PolarHBondContact O-N 2.73Å
1041Q55.8Low57.7Low148 Ų148118.3 Ų118.369%0.69257%0.566SS**Hα-helixtrans-77.5-43.2165.2-169.2164-6.400110.2K1037 N1038 S1043 R1044 E1045K1037-Q1041 PolarHBondContact O-N 2.78Å; N1038-Q1041 PolarHBondContact O-N 3.04Å; N1038-Q1041 VanDerWaalsContact O-N 3.16Å; Q1041-S1043 PolarHBondContact O-N 3.34Å; Q1041-R1044 PolarHBondContact O-N 3.05Å; Q1041-E1045 PolarHBondContact O-N 3.47Å; Q1041-E1045 VanDerWaalsContact O-N 3.13Å
1042L53.5Low57.7Low110 Ų110118.3 Ų118.358%0.57656%0.563SS**Hα-helixtrans-51.6-30.6160.1-99.6156.1000112N1038 E1039 K1046N1038-L1042 PolarHBondContact O-N 3.17Å; N1038-L1042 VanDerWaalsContact O-N 3.14Å; E1039-L1042 CarbonylContact O-C 3.58Å; E1039-L1042 VanDerWaalsContact O-CB 3.22Å; E1039-L1042 WeakPolarHBondContact O-CB 3.4Å; L1042-K1046 WeakPolarHBondContact O-CA 3.42Å; L1042-K1046 WeakPolarHBondContact O-CB 3.2Å; L1042-K1046 PolarHBondContact O-N 3.14Å
1043S57.3Low57.6Low48 Ų48115.2 Ų115.234%0.33655%0.55SS..Hα-helixtrans-77.7-15.2176.9-164.60000114E1039 L1040 Q1041 K1047E1039-S1043 WeakPolarHBondContact O-CB 2.98Å; E1039-S1043 PolarHBondContact O-N 2.76Å; L1040-S1043 WeakPolarHBondContact O-CB 3.35Å; L1040-S1043 PolarHBondContact O-N 3.15Å; Q1041-S1043 PolarHBondContact O-N 3.34Å; S1043-K1047 PolarHBondContact O-N 3.3Å
1044R58.4Low57.7Low199 Ų199115.6 Ų115.675%0.75155%0.549SS*.Hα-helixtrans-91.1-32.3169.5-77.5-173174.1179-2.2112.6L1040 Q1041 K1046 K1047 L1048L1040-R1044 PolarHBondContact O-N 2.73Å; Q1041-R1044 PolarHBondContact O-N 3.05Å; R1044-K1046 VanDerWaalsContact C-N 3.3Å; R1044-K1047 PolarHBondContact O-N 2.82Å; R1044-L1048 PolarHBondContact O-N 3.29Å
1045E52.7Low57.6Low128 Ų128107.8 Ų107.860%0.59853%0.528SS*.Hα-helixtrans-60.6-44.7158-74.6-174137.100109.8Q1041 K1047 L1048 L1049Q1041-E1045 PolarHBondContact O-N 3.47Å; Q1041-E1045 VanDerWaalsContact O-N 3.13Å; E1045-K1047 PolarHBondContact O-N 3.02Å; E1045-L1048 CarbonylContact O-C 3.55Å; E1045-L1048 PolarHBondContact O-N 3.36Å; E1045-L1049 HydrophobicContact CB-CD1 4.43Å; E1045-L1049 WeakPolarHBondContact O-CA 3.33Å; E1045-L1049 WeakPolarHBondContact O-CB 3.03Å; E1045-L1049 WeakPolarHBondContact O-CD1 3.31Å; E1045-L1049 WeakPolarHBondContact O-CG 3.1Å; E1045-L1049 PolarHBondContact O-N 3.31Å
1046K55.9Low57.5Low119 Ų119104.6 Ų104.652%0.51752%0.515SS..Hα-helixtrans-58.5-31172.3-159.8-174.7177-176.10112.6L1042 R1044 L1049 E1050L1042-K1046 WeakPolarHBondContact O-CA 3.42Å; L1042-K1046 WeakPolarHBondContact O-CB 3.2Å; L1042-K1046 PolarHBondContact O-N 3.14Å; R1044-K1046 VanDerWaalsContact C-N 3.3Å; K1046-L1049 CarbonylContact O-C 3.32Å; K1046-L1049 WeakPolarHBondContact O-CA 3.33Å; K1046-L1049 PolarHBondContact O-N 3.24Å; K1046-L1049 VanDerWaalsContact O-O 3.13Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.03Å; K1046-E1050 VanDerWaalsContact O-CB 3.29Å; K1046-E1050 WeakPolarHBondContact O-CB 3.43Å; K1046-E1050 WeakPolarHBondContact O-CG 3.17Å; K1046-E1050 PolarHBondContact O-N 3.35Å
1047K57.5Low57.6Low140 Ų140105 Ų10561%0.60952%0.517SS*.Hα-helixtrans-79.9-37.7174-108.8-168.4176.1-167.80114.5S1043 R1044 E1045 L1049 E1050 E1051S1043-K1047 PolarHBondContact O-N 3.3Å; R1044-K1047 PolarHBondContact O-N 2.82Å; E1045-K1047 PolarHBondContact O-N 3.02Å; K1047-L1049 PolarHBondContact O-N 2.68Å; K1047-E1050 HydrophobicContact CG-CB 4.4Å; K1047-E1050 WeakPolarHBondContact CG-OE2 3.44Å; K1047-E1050 CarbonylContact O-C 3.5Å; K1047-E1050 PolarHBondContact O-N 3.03Å; K1047-E1051 PolarHBondContact O-N 2.76Å
1048L58.6Low57.6Low114 Ų114104.8 Ų104.860%0.59752%0.518SS*.Hα-helixtrans-70.2-15.7166.6-140.779.9000112R1044 E1045 N1052R1044-L1048 PolarHBondContact O-N 3.29Å; E1045-L1048 CarbonylContact O-C 3.55Å; E1045-L1048 PolarHBondContact O-N 3.36Å; L1048-N1052 VanDerWaalsContact O-CA 3.28Å; L1048-N1052 WeakPolarHBondContact O-CA 3.16Å; L1048-N1052 WeakPolarHBondContact O-CB 3.1Å; L1048-N1052 PolarHBondContact O-N 3.06Å; L1048-N1052 PolarHBondContact O-ND2 2.75Å
1049L56Low57.8Low103 Ų103102.8 Ų102.854%0.53951%0.508SS..Hα-helixtrans-104.629.4166-61.9162.2000111.2E1045 K1046 K1047 N1052 S1053E1045-L1049 HydrophobicContact CB-CD1 4.43Å; E1045-L1049 WeakPolarHBondContact O-CA 3.33Å; E1045-L1049 WeakPolarHBondContact O-CB 3.03Å; E1045-L1049 WeakPolarHBondContact O-CD1 3.31Å; E1045-L1049 WeakPolarHBondContact O-CG 3.1Å; E1045-L1049 PolarHBondContact O-N 3.31Å; K1046-L1049 CarbonylContact O-C 3.32Å; K1046-L1049 WeakPolarHBondContact O-CA 3.33Å; K1046-L1049 PolarHBondContact O-N 3.24Å; K1046-L1049 VanDerWaalsContact O-O 3.13Å; K1047-L1049 PolarHBondContact O-N 2.68Å; L1049-N1052 HydrophobicContact CD2-CB 4.47Å; L1049-S1053 VanDerWaalsContact C-CB 3.49Å; L1049-S1053 WeakPolarHBondContact O-CB 3.09Å; L1049-S1053 PolarHBondContact O-N 2.82Å
1050E58.7Low58.1Low75 Ų7599.5 Ų99.535%0.3549%0.494SS..Hα-helixtrans-130.1-22.3162.9-82.9162.3-168.400108.1K1046 K1047 S1053 S1054K1046-E1050 WeakPolarHBondContact CE-OE1 3.03Å; K1046-E1050 VanDerWaalsContact O-CB 3.29Å; K1046-E1050 WeakPolarHBondContact O-CB 3.43Å; K1046-E1050 WeakPolarHBondContact O-CG 3.17Å; K1046-E1050 PolarHBondContact O-N 3.35Å; K1047-E1050 HydrophobicContact CG-CB 4.4Å; K1047-E1050 WeakPolarHBondContact CG-OE2 3.44Å; K1047-E1050 CarbonylContact O-C 3.5Å; K1047-E1050 PolarHBondContact O-N 3.03Å; E1050-S1053 CarbonylContact O-C 3.25Å; E1050-S1054 WeakPolarHBondContact O-CB 2.91Å; E1050-S1054 PolarHBondContact O-N 3.36Å; E1050-S1054 PolarHBondContact O-OG 2.64Å
1051E58.8Low58.1Low140 Ų140100.1 Ų100.165%0.65449%0.492SS*.Hα-helixtrans-83.6-46.5155-73-179.817400110.9K1047 S1053 S1054 A1055K1047-E1051 PolarHBondContact O-N 2.76Å; E1051-S1053 PolarHBondContact O-N 2.67Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.37Å; E1051-S1054 PolarHBondContact O-N 3.36Å; E1051-S1054 VanDerWaalsContact O-N 3.14Å; E1051-S1054 PolarHBondContact O-OG 3.42Å; E1051-A1055 WeakPolarHBondContact O-CA 3.02Å; E1051-A1055 VanDerWaalsContact O-CB 3.23Å; E1051-A1055 WeakPolarHBondContact O-CB 3.48Å; E1051-A1055 PolarHBondContact O-N 3.23Å
1052N58.3Low58.3Low80 Ų8097.2 Ų97.243%0.42848%0.481SS..THydrogen-bonded Turntrans-777.5158.3-62.7-35.5000113.3L1048 L1049 L1056L1048-N1052 VanDerWaalsContact O-CA 3.28Å; L1048-N1052 WeakPolarHBondContact O-CA 3.16Å; L1048-N1052 WeakPolarHBondContact O-CB 3.1Å; L1048-N1052 PolarHBondContact O-N 3.06Å; L1048-N1052 PolarHBondContact O-ND2 2.75Å; L1049-N1052 HydrophobicContact CD2-CB 4.47Å; N1052-L1056 HydrophobicContact CB-CD1 3.99Å; N1052-L1056 WeakPolarHBondContact O-CA 3.48Å; N1052-L1056 WeakPolarHBondContact O-CB 3.17Å; N1052-L1056 WeakPolarHBondContact O-CD1 3.49Å; N1052-L1056 PolarHBondContact O-N 2.87Å
1053S60.6Low58.5Low27 Ų2793.3 Ų93.319%0.18946%0.464CS..THydrogen-bonded Turntrans-125.133.9155.3-156.80000111.6L1049 E1050 E1051 L1056 Q1057L1049-S1053 VanDerWaalsContact C-CB 3.49Å; L1049-S1053 WeakPolarHBondContact O-CB 3.09Å; L1049-S1053 PolarHBondContact O-N 2.82Å; E1050-S1053 CarbonylContact O-C 3.25Å; E1051-S1053 PolarHBondContact O-N 2.67Å; S1053-L1056 VanDerWaalsContact CA-C 3.48Å; S1053-L1056 PolarHBondContact OG-O 2.73Å; S1053-Q1057 WeakPolarHBondContact O-CB 3.48Å; S1053-Q1057 WeakPolarHBondContact O-CG 3.1Å; S1053-Q1057 PolarHBondContact O-NE2 3.11Å; S1053-Q1057 WeakPolarHBondContact OG-CG 3.37Å; S1053-Q1057 PolarHBondContact OG-NE2 2.75Å
1054S60Low58.6Low57 Ų5794.8 Ų94.840%0.39947%0.466SS..THydrogen-bonded Turntrans-123.2-33.8151.451.30000109.3E1050 E1051 Q1057 Q1058E1050-S1054 WeakPolarHBondContact O-CB 2.91Å; E1050-S1054 PolarHBondContact O-N 3.36Å; E1050-S1054 PolarHBondContact O-OG 2.64Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.37Å; E1051-S1054 PolarHBondContact O-N 3.36Å; E1051-S1054 VanDerWaalsContact O-N 3.14Å; E1051-S1054 PolarHBondContact O-OG 3.42Å; S1054-Q1057 CarbonylContact O-C 3.16Å; S1054-Q1057 PolarHBondContact O-N 2.76Å; S1054-Q1058 VanDerWaalsContact O-CB 3.27Å; S1054-Q1058 WeakPolarHBondContact O-CB 3.16Å; S1054-Q1058 WeakPolarHBondContact O-CG 3.16Å; S1054-Q1058 PolarHBondContact O-N 2.72Å
1055A58.5Low58.5Low39 Ų3991.2 Ų91.232%0.32246%0.458SS..G310 helixtrans-57.9-65.314800000109.4E1051 Q1057 Q1058 D1059E1051-A1055 WeakPolarHBondContact O-CA 3.02Å; E1051-A1055 VanDerWaalsContact O-CB 3.23Å; E1051-A1055 WeakPolarHBondContact O-CB 3.48Å; E1051-A1055 PolarHBondContact O-N 3.23Å; A1055-Q1057 PolarHBondContact O-N 2.94Å; A1055-Q1058 CarbonylContact O-C 3.42Å; A1055-Q1058 WeakPolarHBondContact O-CA 3.22Å; A1055-Q1058 PolarHBondContact O-N 2.78Å; A1055-D1059 WeakPolarHBondContact O-CA 3.16Å; A1055-D1059 VanDerWaalsContact O-CB 3.31Å; A1055-D1059 WeakPolarHBondContact O-CB 3.32Å; A1055-D1059 PolarHBondContact O-N 3.16Å
1056L57.2Low58.9Low76 Ų7690 Ų9040%0.39845%0.451SS..G310 helixtrans-7938.8165.2-5982.7000114.4N1052 S1053 D1059 I1060N1052-L1056 HydrophobicContact CB-CD1 3.99Å; N1052-L1056 WeakPolarHBondContact O-CA 3.48Å; N1052-L1056 WeakPolarHBondContact O-CB 3.17Å; N1052-L1056 WeakPolarHBondContact O-CD1 3.49Å; N1052-L1056 PolarHBondContact O-N 2.87Å; S1053-L1056 VanDerWaalsContact CA-C 3.48Å; S1053-L1056 PolarHBondContact OG-O 2.73Å; L1056-D1059 HydrophobicContact CG-CB 4.3Å; L1056-I1060 HydrophobicContact CB-CB 4.5Å; L1056-I1060 HydrophobicContact CB-CD1 3.79Å; L1056-I1060 HydrophobicContact CB-CG1 3.86Å; L1056-I1060 HydrophobicContact CD2-CD1 3.96Å; L1056-I1060 HydrophobicContact CD2-CG1 4.21Å; L1056-I1060 VanDerWaalsContact O-CB 3.23Å; L1056-I1060 WeakPolarHBondContact O-CB 2.78Å; L1056-I1060 PolarHBondContact O-N 2.71Å
1057Q60.5Low58.9Low108 Ų10887.5 Ų87.551%0.50544%0.442SS..G310 helixtrans-129.75.7144.1-79.5170.435.700111.5S1053 S1054 A1055 K1061S1053-Q1057 WeakPolarHBondContact O-CB 3.48Å; S1053-Q1057 WeakPolarHBondContact O-CG 3.1Å; S1053-Q1057 PolarHBondContact O-NE2 3.11Å; S1053-Q1057 WeakPolarHBondContact OG-CG 3.37Å; S1053-Q1057 PolarHBondContact OG-NE2 2.75Å; S1054-Q1057 CarbonylContact O-C 3.16Å; S1054-Q1057 PolarHBondContact O-N 2.76Å; A1055-Q1057 PolarHBondContact O-N 2.94Å; Q1057-K1061 WeakPolarHBondContact O-CB 3.43Å; Q1057-K1061 WeakPolarHBondContact O-CD 3.21Å; Q1057-K1061 WeakPolarHBondContact O-CG 3.26Å; Q1057-K1061 PolarHBondContact O-N 3.49Å
1058Q60.6Low59Low139 Ų13983.6 Ų83.665%0.6543%0.43SS*.THydrogen-bonded Turntrans-109.9-1155.2-69.6-169.1-60.300111.2S1054 A1055 L1062S1054-Q1058 VanDerWaalsContact O-CB 3.27Å; S1054-Q1058 WeakPolarHBondContact O-CB 3.16Å; S1054-Q1058 WeakPolarHBondContact O-CG 3.16Å; S1054-Q1058 PolarHBondContact O-N 2.72Å; A1055-Q1058 CarbonylContact O-C 3.42Å; A1055-Q1058 WeakPolarHBondContact O-CA 3.22Å; A1055-Q1058 PolarHBondContact O-N 2.78Å; Q1058-L1062 VanDerWaalsContact O-CA 3.28Å; Q1058-L1062 WeakPolarHBondContact O-CA 3.07Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.41Å; Q1058-L1062 WeakPolarHBondContact O-CD1 3.27Å; Q1058-L1062 WeakPolarHBondContact O-CG 2.81Å; Q1058-L1062 PolarHBondContact O-N 2.79Å
1059D60.8Low58.9Low79 Ų7980.1 Ų80.142%0.42242%0.415SS..SBendtrans-134.5-0.9170.9-78.1-38.3000109.9A1055 L1056 A1063A1055-D1059 WeakPolarHBondContact O-CA 3.16Å; A1055-D1059 VanDerWaalsContact O-CB 3.31Å; A1055-D1059 WeakPolarHBondContact O-CB 3.32Å; A1055-D1059 PolarHBondContact O-N 3.16Å; L1056-D1059 HydrophobicContact CG-CB 4.3Å; D1059-A1063 VanDerWaalsContact O-CA 3.26Å; D1059-A1063 WeakPolarHBondContact O-CA 2.98Å; D1059-A1063 WeakPolarHBondContact O-CB 2.98Å; D1059-A1063 PolarHBondContact O-N 3.27Å
1060I61.1Low59.1Low59 Ų5977.6 Ų77.630%0.30340%0.404SS..SBendtrans-110.423.4137.6-55.5159.4000109.1L1056 A1063 E1064 L1067L1056-I1060 HydrophobicContact CB-CB 4.5Å; L1056-I1060 HydrophobicContact CB-CD1 3.79Å; L1056-I1060 HydrophobicContact CB-CG1 3.86Å; L1056-I1060 HydrophobicContact CD2-CD1 3.96Å; L1056-I1060 HydrophobicContact CD2-CG1 4.21Å; L1056-I1060 VanDerWaalsContact O-CB 3.23Å; L1056-I1060 WeakPolarHBondContact O-CB 2.78Å; L1056-I1060 PolarHBondContact O-N 2.71Å; I1060-A1063 VanDerWaalsContact C-C 3.5Å; I1060-A1063 VanDerWaalsContact CA-C 3.42Å; I1060-A1063 VanDerWaalsContact CA-O 3.28Å; I1060-A1063 WeakPolarHBondContact CA-O 2.89Å; I1060-E1064 HydrophobicContact CG2-CG 3.69Å; I1060-E1064 WeakPolarHBondContact O-CB 3.24Å; I1060-E1064 WeakPolarHBondContact O-CG 3.47Å; I1060-E1064 PolarHBondContact O-N 2.83Å; I1060-L1067 HydrophobicContact CG2-CD2 4.47Å
1061K59.3Low59.2Low114 Ų11476.8 Ų76.850%0.49640%0.404SS..SBendtrans-124.7-20.6147.1-72.9-176.4174.3-176.70115.6Q1057 A1063 E1064 E1065Q1057-K1061 WeakPolarHBondContact O-CB 3.43Å; Q1057-K1061 WeakPolarHBondContact O-CD 3.21Å; Q1057-K1061 WeakPolarHBondContact O-CG 3.26Å; Q1057-K1061 PolarHBondContact O-N 3.49Å; K1061-A1063 VanDerWaalsContact C-N 3.31Å; K1061-E1064 VanDerWaalsContact C-N 3.28Å; K1061-E1064 VanDerWaalsContact CA-N 3.25Å; K1061-E1064 PolarHBondContact O-N 2.73Å; K1061-E1065 VanDerWaalsContact O-CA 3.31Å; K1061-E1065 WeakPolarHBondContact O-CA 2.95Å; K1061-E1065 WeakPolarHBondContact O-CB 3.5Å; K1061-E1065 WeakPolarHBondContact O-CG 2.87Å; K1061-E1065 PolarHBondContact O-N 2.86Å
1062L60.9Low59.1Low87 Ų8777.2 Ų77.246%0.45540%0.4SS..THydrogen-bonded Turntrans-97.37.5152.8-55.2166.8000110.6Q1058 K1066Q1058-L1062 VanDerWaalsContact O-CA 3.28Å; Q1058-L1062 WeakPolarHBondContact O-CA 3.07Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.41Å; Q1058-L1062 WeakPolarHBondContact O-CD1 3.27Å; Q1058-L1062 WeakPolarHBondContact O-CG 2.81Å; Q1058-L1062 PolarHBondContact O-N 2.79Å; L1062-K1066 WeakPolarHBondContact O-CB 3.03Å; L1062-K1066 WeakPolarHBondContact O-CD 3.21Å; L1062-K1066 VanDerWaalsContact O-CE 3.24Å; L1062-K1066 WeakPolarHBondContact O-CE 3.09Å; L1062-K1066 WeakPolarHBondContact O-CG 3.37Å; L1062-K1066 PolarHBondContact O-NZ 3.22Å
1063A57.9Low59.1Low28 Ų2878.2 Ų78.223%0.23140%0.402CS..THydrogen-bonded Turntrans-12947.7136.800000110.7D1059 I1060 K1061 K1066 L1067D1059-A1063 VanDerWaalsContact O-CA 3.26Å; D1059-A1063 WeakPolarHBondContact O-CA 2.98Å; D1059-A1063 WeakPolarHBondContact O-CB 2.98Å; D1059-A1063 PolarHBondContact O-N 3.27Å; I1060-A1063 VanDerWaalsContact C-C 3.5Å; I1060-A1063 VanDerWaalsContact CA-C 3.42Å; I1060-A1063 VanDerWaalsContact CA-O 3.28Å; I1060-A1063 WeakPolarHBondContact CA-O 2.89Å; K1061-A1063 VanDerWaalsContact C-N 3.31Å; A1063-K1066 HydrophobicContact CB-CB 4.11Å; A1063-K1066 WeakPolarHBondContact CB-O 3.18Å; A1063-L1067 VanDerWaalsContact C-CB 3.49Å; A1063-L1067 VanDerWaalsContact C-N 3.27Å; A1063-L1067 HydrophobicContact CB-CB 4.5Å; A1063-L1067 WeakPolarHBondContact O-CB 3.36Å
1064E58.8Low59.2Low80 Ų8081.2 Ų81.237%0.37441%0.412SS..THydrogen-bonded Turntrans-117.7-40.4134.9-88.5174.6-174.100108.9I1060 K1061 K1066 L1067 T1068 S1069I1060-E1064 HydrophobicContact CG2-CG 3.69Å; I1060-E1064 WeakPolarHBondContact O-CB 3.24Å; I1060-E1064 WeakPolarHBondContact O-CG 3.47Å; I1060-E1064 PolarHBondContact O-N 2.83Å; K1061-E1064 VanDerWaalsContact C-N 3.28Å; K1061-E1064 VanDerWaalsContact CA-N 3.25Å; K1061-E1064 PolarHBondContact O-N 2.73Å; E1064-K1066 PolarHBondContact O-N 3.4Å; E1064-L1067 HydrophobicContact CG-CB 4.12Å; E1064-L1067 CarbonylContact O-C 2.99Å; E1064-L1067 WeakPolarHBondContact O-CA 3.46Å; E1064-L1067 PolarHBondContact O-N 3.14Å; E1064-T1068 HydrophobicContact CB-CG2 4.23Å; E1064-T1068 HydrophobicContact CG-CG2 4.27Å; E1064-T1068 CarbonylContact O-C 3.44Å; E1064-T1068 WeakPolarHBondContact O-CA 3.02Å; E1064-T1068 WeakPolarHBondContact O-CB 2.84Å; E1064-T1068 PolarHBondContact O-N 3Å; E1064-T1068 PolarHBondContact O-OG1 3.47Å; E1064-S1069 PolarHBondContact O-N 3.25Å
1065E56.3Low59.1Low124 Ų12479.7 Ų79.758%0.57940%0.403SS*.THydrogen-bonded Turntrans-69.52156.7-58.9148-152.100112.3K1061 S1069K1061-E1065 VanDerWaalsContact O-CA 3.31Å; K1061-E1065 WeakPolarHBondContact O-CA 2.95Å; K1061-E1065 WeakPolarHBondContact O-CB 3.5Å; K1061-E1065 WeakPolarHBondContact O-CG 2.87Å; K1061-E1065 PolarHBondContact O-N 2.86Å; E1065-S1069 WeakPolarHBondContact O-CB 3.49Å
1066K60.1Low59.1Low103 Ų10381.9 Ų81.945%0.44841%0.409SS..THydrogen-bonded Turntrans-131.932.8147.6-45.7177.8-138.8103.90113.1L1062 A1063 E1064 T1070L1062-K1066 WeakPolarHBondContact O-CB 3.03Å; L1062-K1066 WeakPolarHBondContact O-CD 3.21Å; L1062-K1066 VanDerWaalsContact O-CE 3.24Å; L1062-K1066 WeakPolarHBondContact O-CE 3.09Å; L1062-K1066 WeakPolarHBondContact O-CG 3.37Å; L1062-K1066 PolarHBondContact O-NZ 3.22Å; A1063-K1066 HydrophobicContact CB-CB 4.11Å; A1063-K1066 WeakPolarHBondContact CB-O 3.18Å; E1064-K1066 PolarHBondContact O-N 3.4Å; K1066-T1070 HydrophobicContact CB-CG2 3.87Å; K1066-T1070 WeakPolarHBondContact O-CA 3.42Å; K1066-T1070 WeakPolarHBondContact O-CB 3.48Å; K1066-T1070 WeakPolarHBondContact O-CG2 3.49Å; K1066-T1070 PolarHBondContact O-N 3.12Å; K1066-T1070 VanDerWaalsContact O-N 3.09Å; K1066-T1070 PolarHBondContact O-OG1 2.7Å
1067L57.2Low59.1Low65 Ų6582.3 Ų82.334%0.3441%0.411SS..THydrogen-bonded Turntrans-134.4-60.6158.2-162.174.8000109.9I1060 A1063 E1064 S1069 T1070 V1071 R1072I1060-L1067 HydrophobicContact CG2-CD2 4.47Å; A1063-L1067 VanDerWaalsContact C-CB 3.49Å; A1063-L1067 VanDerWaalsContact C-N 3.27Å; A1063-L1067 HydrophobicContact CB-CB 4.5Å; A1063-L1067 WeakPolarHBondContact O-CB 3.36Å; E1064-L1067 HydrophobicContact CG-CB 4.12Å; E1064-L1067 CarbonylContact O-C 2.99Å; E1064-L1067 WeakPolarHBondContact O-CA 3.46Å; E1064-L1067 PolarHBondContact O-N 3.14Å; L1067-S1069 PolarHBondContact O-N 2.84Å; L1067-T1070 VanDerWaalsContact N-N 3.1Å; L1067-T1070 CarbonylContact O-C 3.52Å; L1067-T1070 PolarHBondContact O-N 3.42Å; L1067-V1071 HydrophobicContact CD1-CB 4.05Å; L1067-V1071 HydrophobicContact CD1-CG2 3.51Å; L1067-V1071 HydrophobicContact CG-CB 3.89Å; L1067-V1071 HydrophobicContact CG-CG2 3.82Å; L1067-V1071 CarbonylContact O-C 3.56Å; L1067-V1071 WeakPolarHBondContact O-CA 3.41Å; L1067-V1071 WeakPolarHBondContact O-CB 3.43Å; L1067-V1071 PolarHBondContact O-N 2.68Å; L1067-R1072 PolarHBondContact O-N 2.78Å
1068T58.1Low59.2Low58 Ų5881.4 Ų81.436%0.35641%0.407SS..THydrogen-bonded Turntrans-52.56.2143.583.40000116.1E1064 R1072E1064-T1068 HydrophobicContact CB-CG2 4.23Å; E1064-T1068 HydrophobicContact CG-CG2 4.27Å; E1064-T1068 CarbonylContact O-C 3.44Å; E1064-T1068 WeakPolarHBondContact O-CA 3.02Å; E1064-T1068 WeakPolarHBondContact O-CB 2.84Å; E1064-T1068 PolarHBondContact O-N 3Å; E1064-T1068 PolarHBondContact O-OG1 3.47Å; T1068-R1072 WeakPolarHBondContact O-CB 3.19Å; T1068-R1072 WeakPolarHBondContact O-CD 3.15Å; T1068-R1072 WeakPolarHBondContact O-CG 2.8Å; T1068-R1072 PolarHBondContact O-NH1 3.04Å
1069S58.1Low59Low41 Ų4181.3 Ų81.329%0.28740%0.401SS..THydrogen-bonded Turntrans-137.98.6151-133.80000118.5E1064 E1065 L1067 Q1073E1064-S1069 PolarHBondContact O-N 3.25Å; E1065-S1069 WeakPolarHBondContact O-CB 3.49Å; L1067-S1069 PolarHBondContact O-N 2.84Å; S1069-Q1073 WeakPolarHBondContact O-CA 3.42Å; S1069-Q1073 WeakPolarHBondContact O-CB 2.92Å; S1069-Q1073 WeakPolarHBondContact O-CG 3.28Å; S1069-Q1073 PolarHBondContact O-N 3.26Å; S1069-Q1073 PolarHBondContact O-OE1 2.9Å
1070T59.1Low58.9Low50 Ų5079.5 Ų79.531%0.30739%0.392SS..THydrogen-bonded Turntrans-130.137.315381.60000112K1066 L1067 Q1073 K1074K1066-T1070 HydrophobicContact CB-CG2 3.87Å; K1066-T1070 WeakPolarHBondContact O-CA 3.42Å; K1066-T1070 WeakPolarHBondContact O-CB 3.48Å; K1066-T1070 WeakPolarHBondContact O-CG2 3.49Å; K1066-T1070 PolarHBondContact O-N 3.12Å; K1066-T1070 VanDerWaalsContact O-N 3.09Å; K1066-T1070 PolarHBondContact O-OG1 2.7Å; L1067-T1070 VanDerWaalsContact N-N 3.1Å; L1067-T1070 CarbonylContact O-C 3.52Å; L1067-T1070 PolarHBondContact O-N 3.42Å; T1070-Q1073 VanDerWaalsContact C-C 3.44Å; T1070-Q1073 CarbonylContact C-O 3.53Å; T1070-Q1073 VanDerWaalsContact CA-C 3.43Å; T1070-Q1073 WeakPolarHBondContact CA-O 3.12Å; T1070-Q1073 HydrophobicContact CG2-CB 4.16Å; T1070-K1074 VanDerWaalsContact C-N 3.32Å; T1070-K1074 WeakPolarHBondContact O-CB 3.1Å
1071V60.4Low59Low58 Ų5879.8 Ų79.835%0.35239%0.394SS..THydrogen-bonded Turntrans-162.4-3.7170.7162.20000106.8L1067 K1074 A1075L1067-V1071 HydrophobicContact CD1-CB 4.05Å; L1067-V1071 HydrophobicContact CD1-CG2 3.51Å; L1067-V1071 HydrophobicContact CG-CB 3.89Å; L1067-V1071 HydrophobicContact CG-CG2 3.82Å; L1067-V1071 CarbonylContact O-C 3.56Å; L1067-V1071 WeakPolarHBondContact O-CA 3.41Å; L1067-V1071 WeakPolarHBondContact O-CB 3.43Å; L1067-V1071 PolarHBondContact O-N 2.68Å; V1071-K1074 VanDerWaalsContact CA-CB 3.49Å; V1071-K1074 VanDerWaalsContact CA-N 3.32Å; V1071-K1074 HydrophobicContact CB-CB 4.27Å; V1071-K1074 HydrophobicContact CG2-CB 3.79Å; V1071-K1074 HydrophobicContact CG2-CD 3.95Å; V1071-K1074 HydrophobicContact CG2-CG 4.21Å; V1071-A1075 VanDerWaalsContact CA-N 3.33Å; V1071-A1075 VanDerWaalsContact O-CA 3.32Å; V1071-A1075 WeakPolarHBondContact O-CA 2.92Å; V1071-A1075 WeakPolarHBondContact O-CB 3.47Å; V1071-A1075 PolarHBondContact O-N 3.04Å
1072R57.3Low59.4Low150 Ų15078.1 Ų78.157%0.56639%0.391SS*.SBendtrans-102.2-15.1132.6-59.9-176.8-165.5116.8-13.8114.9L1067 T1068 K1074 N1076L1067-R1072 PolarHBondContact O-N 2.78Å; T1068-R1072 WeakPolarHBondContact O-CB 3.19Å; T1068-R1072 WeakPolarHBondContact O-CD 3.15Å; T1068-R1072 WeakPolarHBondContact O-CG 2.8Å; T1068-R1072 PolarHBondContact O-NH1 3.04Å; R1072-K1074 VanDerWaalsContact C-N 3.32Å; R1072-N1076 VanDerWaalsContact O-CA 3.26Å; R1072-N1076 WeakPolarHBondContact O-CA 3.17Å; R1072-N1076 WeakPolarHBondContact O-CB 3.28Å; R1072-N1076 PolarHBondContact O-N 3.04Å; R1072-N1076 PolarHBondContact O-ND2 3.3Å; R1072-N1076 PolarHBondContact O-OD1 3.4Å
1073Q58Low59.3Low101 Ų10178.8 Ų78.847%0.47239%0.392SS..SBendtrans-102.741.6147-54.1161.1-7.400108.5S1069 T1070 L1077S1069-Q1073 WeakPolarHBondContact O-CA 3.42Å; S1069-Q1073 WeakPolarHBondContact O-CB 2.92Å; S1069-Q1073 WeakPolarHBondContact O-CG 3.28Å; S1069-Q1073 PolarHBondContact O-N 3.26Å; S1069-Q1073 PolarHBondContact O-OE1 2.9Å; T1070-Q1073 VanDerWaalsContact C-C 3.44Å; T1070-Q1073 CarbonylContact C-O 3.53Å; T1070-Q1073 VanDerWaalsContact CA-C 3.43Å; T1070-Q1073 WeakPolarHBondContact CA-O 3.12Å; T1070-Q1073 HydrophobicContact CG2-CB 4.16Å; Q1073-L1077 VanDerWaalsContact C-N 3.27Å; Q1073-L1077 HydrophobicContact CB-CD1 4.02Å; Q1073-L1077 HydrophobicContact CB-CG 4.02Å; Q1073-L1077 WeakPolarHBondContact O-CB 3.5Å; Q1073-L1077 WeakPolarHBondContact O-CD1 3.46Å; Q1073-L1077 WeakPolarHBondContact O-CG 3.17Å
1074K63.1Low59.4Low90 Ų9080.6 Ų80.639%0.39140%0.4SS..SBendtrans-159.2-4.6161.3-167.9-170.4156.8-175.10111.3T1070 V1071 R1072 L1077 E1078T1070-K1074 VanDerWaalsContact C-N 3.32Å; T1070-K1074 WeakPolarHBondContact O-CB 3.1Å; V1071-K1074 VanDerWaalsContact CA-CB 3.49Å; V1071-K1074 VanDerWaalsContact CA-N 3.32Å; V1071-K1074 HydrophobicContact CB-CB 4.27Å; V1071-K1074 HydrophobicContact CG2-CB 3.79Å; V1071-K1074 HydrophobicContact CG2-CD 3.95Å; V1071-K1074 HydrophobicContact CG2-CG 4.21Å; R1072-K1074 VanDerWaalsContact C-N 3.32Å; K1074-L1077 HydrophobicContact CB-CB 4.42Å; K1074-L1077 VanDerWaalsContact N-N 3.14Å; K1074-E1078 HydrophobicContact CD-CG 4.43Å; K1074-E1078 WeakPolarHBondContact CE-OE1 2.94Å; K1074-E1078 WeakPolarHBondContact CE-OE2 3.3Å; K1074-E1078 HydrophobicContact CG-CB 4.4Å; K1074-E1078 HydrophobicContact CG-CG 3.55Å; K1074-E1078 WeakPolarHBondContact CG-OE2 3.31Å; K1074-E1078 IonicContact NZ-OE1 3.47Å; K1074-E1078 PolarHBondContact NZ-OE1 3.48Å; K1074-E1078 CarbonylContact O-C 3.49Å; K1074-E1078 WeakPolarHBondContact O-CA 3.49Å; K1074-E1078 WeakPolarHBondContact O-CB 3.39Å; K1074-E1078 WeakPolarHBondContact O-CG 3.22Å; K1074-E1078 PolarHBondContact O-N 2.94Å
1075A58.5Low59.5Low25 Ų2581.9 Ų81.921%0.20741%0.406CS..SBendtrans-106.315.1139.800000111.2V1071 R1079V1071-A1075 VanDerWaalsContact CA-N 3.33Å; V1071-A1075 VanDerWaalsContact O-CA 3.32Å; V1071-A1075 WeakPolarHBondContact O-CA 2.92Å; V1071-A1075 WeakPolarHBondContact O-CB 3.47Å; V1071-A1075 PolarHBondContact O-N 3.04Å; A1075-R1079 WeakPolarHBondContact O-CB 3.33Å; A1075-R1079 VanDerWaalsContact O-CD 3.24Å; A1075-R1079 WeakPolarHBondContact O-CD 3.07Å; A1075-R1079 WeakPolarHBondContact O-CG 3.34Å; A1075-R1079 PolarHBondContact O-NH1 2.78Å
1076N58.1Low59.7Low85 Ų8581 Ų8146%0.45540%0.402SS..SBendtrans-136.831.7145.5-35.7-13.2000110.1R1072 T1080R1072-N1076 VanDerWaalsContact O-CA 3.26Å; R1072-N1076 WeakPolarHBondContact O-CA 3.17Å; R1072-N1076 WeakPolarHBondContact O-CB 3.28Å; R1072-N1076 PolarHBondContact O-N 3.04Å; R1072-N1076 PolarHBondContact O-ND2 3.3Å; R1072-N1076 PolarHBondContact O-OD1 3.4Å; N1076-T1080 VanDerWaalsContact C-OG1 3.3Å; N1076-T1080 HydrophobicContact CB-CG2 4.29Å; N1076-T1080 WeakPolarHBondContact O-CG2 3.02Å; N1076-T1080 PolarHBondContact O-OG1 3.28Å
1077L57.4Low59.7Low84 Ų8479.1 Ų79.144%0.4440%0.397SS..SBendtrans-1426.9151.2-65171.5000110.5Q1073 K1074 T1080 L1081Q1073-L1077 VanDerWaalsContact C-N 3.27Å; Q1073-L1077 HydrophobicContact CB-CD1 4.02Å; Q1073-L1077 HydrophobicContact CB-CG 4.02Å; Q1073-L1077 WeakPolarHBondContact O-CB 3.5Å; Q1073-L1077 WeakPolarHBondContact O-CD1 3.46Å; Q1073-L1077 WeakPolarHBondContact O-CG 3.17Å; K1074-L1077 HydrophobicContact CB-CB 4.42Å; K1074-L1077 VanDerWaalsContact N-N 3.14Å; L1077-T1080 VanDerWaalsContact C-C 3.48Å; L1077-T1080 WeakPolarHBondContact CA-OG1 2.99Å; L1077-T1080 WeakPolarHBondContact CD2-OG1 3.42Å; L1077-T1080 CarbonylContact O-C 3.57Å; L1077-L1081 WeakPolarHBondContact O-CA 3.2Å; L1077-L1081 WeakPolarHBondContact O-CB 2.95Å; L1077-L1081 WeakPolarHBondContact O-CD1 2.98Å; L1077-L1081 PolarHBondContact O-N 2.61Å
1078E61.5Low59.8Low89 Ų8978.4 Ų78.442%0.41639%0.393SS..SBendtrans-128.69.5145.3-49.6157.6149.600109.6K1074 L1081 D1082K1074-E1078 HydrophobicContact CD-CG 4.43Å; K1074-E1078 WeakPolarHBondContact CE-OE1 2.94Å; K1074-E1078 WeakPolarHBondContact CE-OE2 3.3Å; K1074-E1078 HydrophobicContact CG-CB 4.4Å; K1074-E1078 HydrophobicContact CG-CG 3.55Å; K1074-E1078 WeakPolarHBondContact CG-OE2 3.31Å; K1074-E1078 IonicContact NZ-OE1 3.47Å; K1074-E1078 PolarHBondContact NZ-OE1 3.48Å; K1074-E1078 CarbonylContact O-C 3.49Å; K1074-E1078 WeakPolarHBondContact O-CA 3.49Å; K1074-E1078 WeakPolarHBondContact O-CB 3.39Å; K1074-E1078 WeakPolarHBondContact O-CG 3.22Å; K1074-E1078 PolarHBondContact O-N 2.94Å; E1078-L1081 VanDerWaalsContact CA-N 3.31Å; E1078-L1081 HydrophobicContact CB-CB 4.26Å; E1078-L1081 HydrophobicContact CG-CB 4.25Å; E1078-D1082 WeakPolarHBondContact O-CA 3.18Å; E1078-D1082 WeakPolarHBondContact O-CB 3.21Å; E1078-D1082 PolarHBondContact O-N 3.46Å
1079R57.8Low59.8Low137 Ų13779.3 Ų79.352%0.51739%0.393SS..SBendtrans-110.913.1132-51.9-178.9-166.1101.4-7112A1075 Q1083A1075-R1079 WeakPolarHBondContact O-CB 3.33Å; A1075-R1079 VanDerWaalsContact O-CD 3.24Å; A1075-R1079 WeakPolarHBondContact O-CD 3.07Å; A1075-R1079 WeakPolarHBondContact O-CG 3.34Å; A1075-R1079 PolarHBondContact O-NH1 2.78Å; R1079-Q1083 VanDerWaalsContact C-N 3.27Å; R1079-Q1083 WeakPolarHBondContact O-CB 3.35Å; R1079-Q1083 VanDerWaalsContact O-CD 3.28Å; R1079-Q1083 WeakPolarHBondContact O-CG 3.39Å; R1079-Q1083 PolarHBondContact O-N 2.84Å; R1079-Q1083 PolarHBondContact O-OE1 3.45Å
1080T58.2Low59.9Low41 Ų4181.7 Ų81.725%0.25240%0.402SS..SBendtrans-129.927.6146.277.70000110.1N1076 L1077 Q1083 V1084N1076-T1080 VanDerWaalsContact C-OG1 3.3Å; N1076-T1080 HydrophobicContact CB-CG2 4.29Å; N1076-T1080 WeakPolarHBondContact O-CG2 3.02Å; N1076-T1080 PolarHBondContact O-OG1 3.28Å; L1077-T1080 VanDerWaalsContact C-C 3.48Å; L1077-T1080 WeakPolarHBondContact CA-OG1 2.99Å; L1077-T1080 WeakPolarHBondContact CD2-OG1 3.42Å; L1077-T1080 CarbonylContact O-C 3.57Å; T1080-Q1083 HydrophobicContact CG2-CB 4.33Å; T1080-V1084 WeakPolarHBondContact O-CA 3.42Å; T1080-V1084 WeakPolarHBondContact O-CB 3.45Å; T1080-V1084 WeakPolarHBondContact O-CG2 3.04Å; T1080-V1084 PolarHBondContact O-N 2.97Å
1081L64.2Low59.6Low65 Ų6582.3 Ų82.334%0.3440%0.402SS..SBendtrans-105.9-50.6135.1-100.860.9000105.3L1077 E1078 Q1083 V1084 E1085 Q1086L1077-L1081 WeakPolarHBondContact O-CA 3.2Å; L1077-L1081 WeakPolarHBondContact O-CB 2.95Å; L1077-L1081 WeakPolarHBondContact O-CD1 2.98Å; L1077-L1081 PolarHBondContact O-N 2.61Å; E1078-L1081 VanDerWaalsContact CA-N 3.31Å; E1078-L1081 HydrophobicContact CB-CB 4.26Å; E1078-L1081 HydrophobicContact CG-CB 4.25Å; L1081-Q1083 CarbonylContact O-C 3.52Å; L1081-Q1083 WeakPolarHBondContact O-CA 3.05Å; L1081-Q1083 PolarHBondContact O-N 3.31Å; L1081-V1084 CarbonylContact O-C 3.52Å; L1081-V1084 VanDerWaalsContact O-C 3.28Å; L1081-V1084 PolarHBondContact O-N 3.39Å; L1081-E1085 HydrophobicContact CB-CB 4.03Å; L1081-E1085 HydrophobicContact CB-CG 4.29Å; L1081-E1085 HydrophobicContact CD2-CG 4.36Å; L1081-E1085 HydrophobicContact CG-CB 4.22Å; L1081-E1085 HydrophobicContact CG-CG 3.93Å; L1081-E1085 CarbonylContact O-C 3.57Å; L1081-E1085 VanDerWaalsContact O-C 3.3Å; L1081-E1085 WeakPolarHBondContact O-CA 3.06Å; L1081-E1085 WeakPolarHBondContact O-CB 3.45Å; L1081-E1085 PolarHBondContact O-N 2.85Å; L1081-Q1086 PolarHBondContact O-N 2.83Å
1082D66.1Low59.4Low80 Ų8085.9 Ų85.943%0.42841%0.409SS..THydrogen-bonded Turntrans-66.710.6162.2-57.8-19.8000114.6E1078 Q1086E1078-D1082 WeakPolarHBondContact O-CA 3.18Å; E1078-D1082 WeakPolarHBondContact O-CB 3.21Å; E1078-D1082 PolarHBondContact O-N 3.46Å; D1082-Q1086 HydrophobicContact CB-CG 3.97Å; D1082-Q1086 WeakPolarHBondContact O-CB 3.13Å; D1082-Q1086 WeakPolarHBondContact O-CG 3.29Å
1083Q58.6Low59.5Low101 Ų10185.8 Ų85.847%0.47241%0.408SS..THydrogen-bonded Turntrans-141.629.2149-46.3171.6-10400114.2R1079 T1080 L1081 N1087R1079-Q1083 VanDerWaalsContact C-N 3.27Å; R1079-Q1083 WeakPolarHBondContact O-CB 3.35Å; R1079-Q1083 VanDerWaalsContact O-CD 3.28Å; R1079-Q1083 WeakPolarHBondContact O-CG 3.39Å; R1079-Q1083 PolarHBondContact O-N 2.84Å; R1079-Q1083 PolarHBondContact O-OE1 3.45Å; T1080-Q1083 HydrophobicContact CG2-CB 4.33Å; L1081-Q1083 CarbonylContact O-C 3.52Å; L1081-Q1083 WeakPolarHBondContact O-CA 3.05Å; L1081-Q1083 PolarHBondContact O-N 3.31Å; Q1083-N1087 VanDerWaalsContact C-CB 3.44Å; Q1083-N1087 VanDerWaalsContact C-CG 3.48Å; Q1083-N1087 VanDerWaalsContact C-N 3.28Å; Q1083-N1087 WeakPolarHBondContact O-CB 3.32Å; Q1083-N1087 PolarHBondContact O-ND2 3.36Å
1084V60.6Low59.4Low66 Ų6682.7 Ų82.740%0.440%0.4SS..THydrogen-bonded Turntrans-143.832.1152.1-1620000110.8T1080 L1081 N1087 L1088T1080-V1084 WeakPolarHBondContact O-CA 3.42Å; T1080-V1084 WeakPolarHBondContact O-CB 3.45Å; T1080-V1084 WeakPolarHBondContact O-CG2 3.04Å; T1080-V1084 PolarHBondContact O-N 2.97Å; L1081-V1084 CarbonylContact O-C 3.52Å; L1081-V1084 VanDerWaalsContact O-C 3.28Å; L1081-V1084 PolarHBondContact O-N 3.39Å; V1084-N1087 CarbonylContact C-O 3.59Å; V1084-N1087 WeakPolarHBondContact CA-O 3.29Å; V1084-L1088 VanDerWaalsContact C-N 3.26Å; V1084-L1088 VanDerWaalsContact O-CB 3.31Å; V1084-L1088 WeakPolarHBondContact O-CB 3.31Å
1085E62.1Low59.1Low106 Ų10685.1 Ų85.150%0.49541%0.407SS..THydrogen-bonded Turntrans-158.2-34.5174.1-92.5-172172.500108.3L1081 N1087 L1088 E1089L1081-E1085 HydrophobicContact CB-CB 4.03Å; L1081-E1085 HydrophobicContact CB-CG 4.29Å; L1081-E1085 HydrophobicContact CD2-CG 4.36Å; L1081-E1085 HydrophobicContact CG-CB 4.22Å; L1081-E1085 HydrophobicContact CG-CG 3.93Å; L1081-E1085 CarbonylContact O-C 3.57Å; L1081-E1085 VanDerWaalsContact O-C 3.3Å; L1081-E1085 WeakPolarHBondContact O-CA 3.06Å; L1081-E1085 WeakPolarHBondContact O-CB 3.45Å; L1081-E1085 PolarHBondContact O-N 2.85Å; E1085-N1087 VanDerWaalsContact C-N 3.35Å; E1085-N1087 VanDerWaalsContact N-N 3.17Å; E1085-L1088 HydrophobicContact CG-CB 4.25Å; E1085-L1088 CarbonylContact O-C 3.41Å; E1085-L1088 PolarHBondContact O-N 2.99Å; E1085-E1089 VanDerWaalsContact O-CA 3.32Å; E1085-E1089 WeakPolarHBondContact O-CA 3.42Å; E1085-E1089 WeakPolarHBondContact O-CB 3.46Å; E1085-E1089 PolarHBondContact O-N 3.17Å
1086Q59.6Low59.2Low106 Ų10689.2 Ų89.250%0.49542%0.422SS..THydrogen-bonded Turntrans-83.1-7.8140-44.4-178.520.400112.7L1081 D1082 L1090L1081-Q1086 PolarHBondContact O-N 2.83Å; D1082-Q1086 HydrophobicContact CB-CG 3.97Å; D1082-Q1086 WeakPolarHBondContact O-CB 3.13Å; D1082-Q1086 WeakPolarHBondContact O-CG 3.29Å; Q1086-L1090 WeakPolarHBondContact O-CA 3.45Å; Q1086-L1090 WeakPolarHBondContact O-CB 3.12Å; Q1086-L1090 WeakPolarHBondContact O-CD1 3.28Å; Q1086-L1090 WeakPolarHBondContact O-CG 3.44Å; Q1086-L1090 PolarHBondContact O-N 2.8Å
1087N59.2Low59.1Low64 Ų6488.4 Ų88.434%0.34242%0.417SS..THydrogen-bonded Turntrans-11338.4149.9-46-5.5000110.4Q1083 V1084 E1085 E1091Q1083-N1087 VanDerWaalsContact C-CB 3.44Å; Q1083-N1087 VanDerWaalsContact C-CG 3.48Å; Q1083-N1087 VanDerWaalsContact C-N 3.28Å; Q1083-N1087 WeakPolarHBondContact O-CB 3.32Å; Q1083-N1087 PolarHBondContact O-ND2 3.36Å; V1084-N1087 CarbonylContact C-O 3.59Å; V1084-N1087 WeakPolarHBondContact CA-O 3.29Å; E1085-N1087 VanDerWaalsContact C-N 3.35Å; E1085-N1087 VanDerWaalsContact N-N 3.17Å; N1087-E1091 VanDerWaalsContact C-N 3.27Å; N1087-E1091 WeakPolarHBondContact O-CB 3.32Å
1088L59.2Low59Low50 Ų5086 Ų8626%0.26241%0.409SS..SBendtrans-131.2-1.7150.1-150.583.2000110.3V1084 E1085 E1091 R1092V1084-L1088 VanDerWaalsContact C-N 3.26Å; V1084-L1088 VanDerWaalsContact O-CB 3.31Å; V1084-L1088 WeakPolarHBondContact O-CB 3.31Å; E1085-L1088 HydrophobicContact CG-CB 4.25Å; E1085-L1088 CarbonylContact O-C 3.41Å; E1085-L1088 PolarHBondContact O-N 2.99Å; L1088-E1091 HydrophobicContact CD1-CB 4.5Å; L1088-E1091 CarbonylContact O-C 3.38Å; L1088-R1092 WeakPolarHBondContact O-CA 3.41Å; L1088-R1092 WeakPolarHBondContact O-CB 3.3Å; L1088-R1092 WeakPolarHBondContact O-CD 3.39Å; L1088-R1092 WeakPolarHBondContact O-CG 3.36Å; L1088-R1092 PolarHBondContact O-N 2.99Å
1089E59.4Low58.9Low77 Ų7784.6 Ų84.636%0.3640%0.404SS..SBendtrans-126.2-5.8166.4-148.464.1-131.300110.5E1085 R1092 R1093E1085-E1089 VanDerWaalsContact O-CA 3.32Å; E1085-E1089 WeakPolarHBondContact O-CA 3.42Å; E1085-E1089 WeakPolarHBondContact O-CB 3.46Å; E1085-E1089 PolarHBondContact O-N 3.17Å; E1089-R1092 WeakPolarHBondContact OE2-CD 3.39Å; E1089-R1092 IonicContact OE2-NH1 3.33Å; E1089-R1092 PolarHBondContact OE2-NH1 3.26Å; E1089-R1093 VanDerWaalsContact C-N 3.31Å; E1089-R1093 WeakPolarHBondContact O-CA 3.35Å; E1089-R1093 WeakPolarHBondContact O-CB 3.43Å; E1089-R1093 VanDerWaalsContact O-CD 3.28Å; E1089-R1093 WeakPolarHBondContact O-CD 3.36Å; E1089-R1093 WeakPolarHBondContact O-CG 3.44Å; E1089-R1093 PolarHBondContact O-N 2.88Å
1090L59.7Low59.3Low91 Ų9183.7 Ų83.748%0.47640%0.404SS..SBendtrans-107.220.2134.5-40.9159.8000111.5Q1086 R1093 A1094Q1086-L1090 WeakPolarHBondContact O-CA 3.45Å; Q1086-L1090 WeakPolarHBondContact O-CB 3.12Å; Q1086-L1090 WeakPolarHBondContact O-CD1 3.28Å; Q1086-L1090 WeakPolarHBondContact O-CG 3.44Å; Q1086-L1090 PolarHBondContact O-N 2.8Å; L1090-R1093 HydrophobicContact CD2-CB 4.19Å; L1090-A1094 WeakPolarHBondContact O-CA 3.36Å; L1090-A1094 WeakPolarHBondContact O-CB 2.99Å; L1090-A1094 PolarHBondContact O-N 3.3Å; L1090-A1094 VanDerWaalsContact O-N 3.12Å
1091E52.9Low59.1Low63 Ų6382.8 Ų82.829%0.29440%0.401SS..SBendtrans-124.616147.1-153.6-142.8139.800110.6N1087 L1088 A1094 R1095N1087-E1091 VanDerWaalsContact C-N 3.27Å; N1087-E1091 WeakPolarHBondContact O-CB 3.32Å; L1088-E1091 HydrophobicContact CD1-CB 4.5Å; L1088-E1091 CarbonylContact O-C 3.38Å; E1091-A1094 VanDerWaalsContact C-C 3.47Å; E1091-A1094 VanDerWaalsContact CA-C 3.5Å; E1091-A1094 CarbonylContact O-C 3.54Å; E1091-R1095 HydrophobicContact CG-CG 4.31Å; E1091-R1095 WeakPolarHBondContact O-CB 3.4Å; E1091-R1095 WeakPolarHBondContact O-CD 3.44Å; E1091-R1095 WeakPolarHBondContact O-CG 3.4Å; E1091-R1095 PolarHBondContact O-N 2.67Å; E1091-R1095 VanDerWaalsContact O-N 3.11Å; E1091-R1095 IonicContact OE1-CZ 3.34Å; E1091-R1095 IonicContact OE1-NE 3.83Å; E1091-R1095 PolarHBondContact OE1-NE 3.28Å; E1091-R1095 IonicContact OE1-NH2 2.65Å; E1091-R1095 PolarHBondContact OE1-NH2 2.87Å; E1091-R1095 IonicContact OE2-NH2 3.5Å
1092R57.1Low59Low133 Ų13385.5 Ų85.550%0.50241%0.407SS..SBendtrans-121.5-16.5149.5-74.1163.3176.6166.80.4111.6L1088 E1089 R1095 Q1096L1088-R1092 WeakPolarHBondContact O-CA 3.41Å; L1088-R1092 WeakPolarHBondContact O-CB 3.3Å; L1088-R1092 WeakPolarHBondContact O-CD 3.39Å; L1088-R1092 WeakPolarHBondContact O-CG 3.36Å; L1088-R1092 PolarHBondContact O-N 2.99Å; E1089-R1092 WeakPolarHBondContact OE2-CD 3.39Å; E1089-R1092 IonicContact OE2-NH1 3.33Å; E1089-R1092 PolarHBondContact OE2-NH1 3.26Å; R1092-R1095 CarbonylContact O-C 3.58Å; R1092-Q1096 WeakPolarHBondContact O-CA 3.41Å; R1092-Q1096 WeakPolarHBondContact O-CB 3.09Å; R1092-Q1096 WeakPolarHBondContact O-CG 3.34Å; R1092-Q1096 PolarHBondContact O-N 3.49Å
1093R59.1Low58.9Low147 Ų14790.3 Ų90.356%0.55542%0.419SS*.SBendtrans-90.32.5142.6-55.8165.8-168-178.63.6112.4E1089 L1090 D1097E1089-R1093 VanDerWaalsContact C-N 3.31Å; E1089-R1093 WeakPolarHBondContact O-CA 3.35Å; E1089-R1093 WeakPolarHBondContact O-CB 3.43Å; E1089-R1093 VanDerWaalsContact O-CD 3.28Å; E1089-R1093 WeakPolarHBondContact O-CD 3.36Å; E1089-R1093 WeakPolarHBondContact O-CG 3.44Å; E1089-R1093 PolarHBondContact O-N 2.88Å; L1090-R1093 HydrophobicContact CD2-CB 4.19Å; R1093-D1097 VanDerWaalsContact C-N 3.34Å; R1093-D1097 CarbonylContact O-C 3.55Å; R1093-D1097 WeakPolarHBondContact O-CA 3.42Å; R1093-D1097 WeakPolarHBondContact O-CB 3.42Å; R1093-D1097 PolarHBondContact O-N 2.88Å
1094A54.3Low59Low36 Ų3691.6 Ų91.630%0.29842%0.423SS..SBendtrans-122.234.3148.300000113.1L1090 E1091 A1098L1090-A1094 WeakPolarHBondContact O-CA 3.36Å; L1090-A1094 WeakPolarHBondContact O-CB 2.99Å; L1090-A1094 PolarHBondContact O-N 3.3Å; L1090-A1094 VanDerWaalsContact O-N 3.12Å; E1091-A1094 VanDerWaalsContact C-C 3.47Å; E1091-A1094 VanDerWaalsContact CA-C 3.5Å; E1091-A1094 CarbonylContact O-C 3.54Å; A1094-A1098 VanDerWaalsContact C-N 3.29Å; A1094-A1098 VanDerWaalsContact CA-N 3.29Å; A1094-A1098 HydrophobicContact CB-CB 4.16Å; A1094-A1098 WeakPolarHBondContact O-CB 3.31Å
1095R57.3Low58.9Low141 Ų14193.6 Ų93.653%0.53243%0.431SS..SBendtrans-130.70.9144-73.7174.1-161.8-176.512.3112.1E1091 R1092 A1098 D1099E1091-R1095 HydrophobicContact CG-CG 4.31Å; E1091-R1095 WeakPolarHBondContact O-CB 3.4Å; E1091-R1095 WeakPolarHBondContact O-CD 3.44Å; E1091-R1095 WeakPolarHBondContact O-CG 3.4Å; E1091-R1095 PolarHBondContact O-N 2.67Å; E1091-R1095 VanDerWaalsContact O-N 3.11Å; E1091-R1095 IonicContact OE1-CZ 3.34Å; E1091-R1095 IonicContact OE1-NE 3.83Å; E1091-R1095 PolarHBondContact OE1-NE 3.28Å; E1091-R1095 IonicContact OE1-NH2 2.65Å; E1091-R1095 PolarHBondContact OE1-NH2 2.87Å; E1091-R1095 IonicContact OE2-NH2 3.5Å; R1092-R1095 CarbonylContact O-C 3.58Å; R1095-A1098 VanDerWaalsContact C-C 3.49Å; R1095-A1098 CarbonylContact O-C 3.53Å; R1095-D1099 WeakPolarHBondContact O-CB 3.46Å; R1095-D1099 PolarHBondContact O-N 2.9Å
1096Q60.8Low59.2Low112 Ų11292.9 Ų92.952%0.52343%0.428SS..SBendtrans-119.4-16.4160.8-60-179.39.900112.2R1092 K1100R1092-Q1096 WeakPolarHBondContact O-CA 3.41Å; R1092-Q1096 WeakPolarHBondContact O-CB 3.09Å; R1092-Q1096 WeakPolarHBondContact O-CG 3.34Å; R1092-Q1096 PolarHBondContact O-N 3.49Å; Q1096-K1100 VanDerWaalsContact O-CA 3.29Å; Q1096-K1100 WeakPolarHBondContact O-CA 3.35Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.43Å; Q1096-K1100 WeakPolarHBondContact O-CE 3.35Å; Q1096-K1100 WeakPolarHBondContact O-CG 3.36Å; Q1096-K1100 PolarHBondContact O-N 3.31Å
1097D56.7Low59.6Low68 Ų6889.1 Ų89.136%0.36442%0.417SS..THydrogen-bonded Turntrans-11021.2145.8-37.8-64.2000111R1093 K1100 A1101R1093-D1097 VanDerWaalsContact C-N 3.34Å; R1093-D1097 CarbonylContact O-C 3.55Å; R1093-D1097 WeakPolarHBondContact O-CA 3.42Å; R1093-D1097 WeakPolarHBondContact O-CB 3.42Å; R1093-D1097 PolarHBondContact O-N 2.88Å; D1097-K1100 HydrophobicContact CB-CB 4.4Å; D1097-K1100 WeakPolarHBondContact OD1-CB 3.45Å; D1097-K1100 WeakPolarHBondContact OD1-CD 3.2Å; D1097-K1100 VanDerWaalsContact OD1-CE 3.23Å; D1097-K1100 WeakPolarHBondContact OD1-CE 3.29Å; D1097-K1100 IonicContact OD1-NZ 2.75Å; D1097-K1100 PolarHBondContact OD1-NZ 2.91Å; D1097-K1100 IonicContact OD2-NZ 3.15Å; D1097-A1101 WeakPolarHBondContact O-CA 3.4Å; D1097-A1101 WeakPolarHBondContact O-CB 3.36Å; D1097-A1101 PolarHBondContact O-N 3.42Å
1098A54.6Low59.5Low32 Ų3288.3 Ų88.326%0.26441%0.413SS..THydrogen-bonded Turntrans-128.432.3139.400000110.9A1094 R1095 R1102A1094-A1098 VanDerWaalsContact C-N 3.29Å; A1094-A1098 VanDerWaalsContact CA-N 3.29Å; A1094-A1098 HydrophobicContact CB-CB 4.16Å; A1094-A1098 WeakPolarHBondContact O-CB 3.31Å; R1095-A1098 VanDerWaalsContact C-C 3.49Å; R1095-A1098 CarbonylContact O-C 3.53Å; A1098-R1102 WeakPolarHBondContact O-CB 3.4Å; A1098-R1102 PolarHBondContact O-N 3.44Å
1099D60.6Low59.9Low60 Ų6090.2 Ų90.232%0.32142%0.423SS..THydrogen-bonded Turntrans-120.8-30.8141-88.5-10.2000109.5R1095 R1102 R1103R1095-D1099 WeakPolarHBondContact O-CB 3.46Å; R1095-D1099 PolarHBondContact O-N 2.9Å; D1099-R1102 VanDerWaalsContact C-N 3.29Å; D1099-R1102 VanDerWaalsContact CA-N 3.3Å; D1099-R1102 CarbonylContact O-C 3.53Å; D1099-R1102 PolarHBondContact O-N 3.21Å; D1099-R1102 WeakPolarHBondContact OD1-CB 3.42Å; D1099-R1102 IonicContact OD1-CZ 2.72Å; D1099-R1102 IonicContact OD1-NE 3.39Å; D1099-R1102 IonicContact OD1-NH1 3.97Å; D1099-R1102 PolarHBondContact OD1-NH1 3.3Å; D1099-R1102 IonicContact OD2-NH1 2.74Å; D1099-R1103 WeakPolarHBondContact O-CB 3.48Å; D1099-R1103 WeakPolarHBondContact O-CD 3.22Å; D1099-R1103 WeakPolarHBondContact O-CG 3.28Å; D1099-R1103 PolarHBondContact O-N 2.93Å
1100K64.7Low60.6Low118 Ų11891.8 Ų91.851%0.51343%0.428SS..SBendtrans-74.8-8.4152.3-63.5172.6-103.6138.10112.7Q1096 D1097 K1104Q1096-K1100 VanDerWaalsContact O-CA 3.29Å; Q1096-K1100 WeakPolarHBondContact O-CA 3.35Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.43Å; Q1096-K1100 WeakPolarHBondContact O-CE 3.35Å; Q1096-K1100 WeakPolarHBondContact O-CG 3.36Å; Q1096-K1100 PolarHBondContact O-N 3.31Å; D1097-K1100 HydrophobicContact CB-CB 4.4Å; D1097-K1100 WeakPolarHBondContact OD1-CB 3.45Å; D1097-K1100 WeakPolarHBondContact OD1-CD 3.2Å; D1097-K1100 VanDerWaalsContact OD1-CE 3.23Å; D1097-K1100 WeakPolarHBondContact OD1-CE 3.29Å; D1097-K1100 IonicContact OD1-NZ 2.75Å; D1097-K1100 PolarHBondContact OD1-NZ 2.91Å; D1097-K1100 IonicContact OD2-NZ 3.15Å; K1100-K1104 WeakPolarHBondContact O-CA 3.21Å; K1100-K1104 VanDerWaalsContact O-CB 3.28Å; K1100-K1104 WeakPolarHBondContact O-CB 3.41Å; K1100-K1104 PolarHBondContact O-N 3.17Å
1101A55.4Low61Low23 Ų2391.5 Ų91.519%0.1943%0.427CS..Hα-helixtrans-122.530.2150.500000114.5D1097 K1104 L1105D1097-A1101 WeakPolarHBondContact O-CA 3.4Å; D1097-A1101 WeakPolarHBondContact O-CB 3.36Å; D1097-A1101 PolarHBondContact O-N 3.42Å; A1101-K1104 VanDerWaalsContact CA-CB 3.47Å; A1101-K1104 HydrophobicContact CB-CB 3.43Å; A1101-K1104 VanDerWaalsContact CB-CB 3.43Å; A1101-L1105 WeakPolarHBondContact O-CA 3.23Å; A1101-L1105 WeakPolarHBondContact O-CB 3.49Å; A1101-L1105 WeakPolarHBondContact O-CG 3.28Å; A1101-L1105 PolarHBondContact O-N 3.03Å
1102R61.4Low61.5Low121 Ų12191.3 Ų91.346%0.45743%0.432SS..Hα-helixtrans-110.225135.7-138.6-169.477.3-131.34.8109.8A1098 D1099 E1106A1098-R1102 WeakPolarHBondContact O-CB 3.4Å; A1098-R1102 PolarHBondContact O-N 3.44Å; D1099-R1102 VanDerWaalsContact C-N 3.29Å; D1099-R1102 VanDerWaalsContact CA-N 3.3Å; D1099-R1102 CarbonylContact O-C 3.53Å; D1099-R1102 PolarHBondContact O-N 3.21Å; D1099-R1102 WeakPolarHBondContact OD1-CB 3.42Å; D1099-R1102 IonicContact OD1-CZ 2.72Å; D1099-R1102 IonicContact OD1-NE 3.39Å; D1099-R1102 IonicContact OD1-NH1 3.97Å; D1099-R1102 PolarHBondContact OD1-NH1 3.3Å; D1099-R1102 IonicContact OD2-NH1 2.74Å; R1102-E1106 HydrophobicContact CG-CG 4.26Å; R1102-E1106 IonicContact CZ-OE1 3.3Å; R1102-E1106 IonicContact NE-OE1 2.77Å; R1102-E1106 PolarHBondContact NE-OE1 2.9Å; R1102-E1106 IonicContact NH2-OE1 2.73Å; R1102-E1106 PolarHBondContact NH2-OE1 2.93Å; R1102-E1106 WeakPolarHBondContact O-CB 3.4Å; R1102-E1106 WeakPolarHBondContact O-CG 3.34Å; R1102-E1106 PolarHBondContact O-N 2.78Å
1103R64.5Low62.2Low181 Ų18190.9 Ų90.968%0.68343%0.434SS*.Hα-helixtrans-141.9-24.2170.8-70.1170.8-170.8178.35.1111.2D1099 G1107D1099-R1103 WeakPolarHBondContact O-CB 3.48Å; D1099-R1103 WeakPolarHBondContact O-CD 3.22Å; D1099-R1103 WeakPolarHBondContact O-CG 3.28Å; D1099-R1103 PolarHBondContact O-N 2.93Å; R1103-G1107 WeakPolarHBondContact O-CA 3.2Å; R1103-G1107 PolarHBondContact O-N 3.42Å
1104K60.7Low62.8Low128 Ų12888 Ų8856%0.55743%0.427SS*.Hα-helix-56.1-94120.6-84.9-163.3159.4-158.50108.8K1100 A1101 E1106 G1107 D1108K1100-K1104 WeakPolarHBondContact O-CA 3.21Å; K1100-K1104 VanDerWaalsContact O-CB 3.28Å; K1100-K1104 WeakPolarHBondContact O-CB 3.41Å; K1100-K1104 PolarHBondContact O-N 3.17Å; A1101-K1104 VanDerWaalsContact CA-CB 3.47Å; A1101-K1104 HydrophobicContact CB-CB 3.43Å; A1101-K1104 VanDerWaalsContact CB-CB 3.43Å; K1104-E1106 CarbonylContact O-C 3.59Å; K1104-E1106 WeakPolarHBondContact O-CA 3.37Å; K1104-E1106 PolarHBondContact O-N 2.84Å; K1104-G1107 CarbonylContact O-C 3.56Å; K1104-G1107 WeakPolarHBondContact O-CA 3.46Å; K1104-G1107 PolarHBondContact O-N 2.89Å; K1104-D1108 VanDerWaalsContact C-CB 3.49Å; K1104-D1108 HydrophobicContact CB-CB 4.37Å; K1104-D1108 WeakPolarHBondContact CB-OD2 3.47Å; K1104-D1108 WeakPolarHBondContact CD-OD2 3.26Å; K1104-D1108 WeakPolarHBondContact CG-OD1 3.33Å; K1104-D1108 WeakPolarHBondContact CG-OD2 3.22Å; K1104-D1108 WeakPolarHBondContact O-CA 3.46Å; K1104-D1108 WeakPolarHBondContact O-CB 3.3Å; K1104-D1108 PolarHBondContact O-N 3.24Å
1105L57Low63.3Low108 Ų10889.6 Ų89.657%0.56543%0.43SS*.THydrogen-bonded Turntrans-61.824.9-177.3-47.3171.1000120.4A1101 D1108 L1109A1101-L1105 WeakPolarHBondContact O-CA 3.23Å; A1101-L1105 WeakPolarHBondContact O-CB 3.49Å; A1101-L1105 WeakPolarHBondContact O-CG 3.28Å; A1101-L1105 PolarHBondContact O-N 3.03Å; L1105-D1108 HydrophobicContact CD2-CB 4.07Å; L1105-L1109 WeakPolarHBondContact O-CB 3.47Å
1106E68.6Low63.8Low92 Ų9285.1 Ų85.143%0.4342%0.421SS..THydrogen-bonded Turntrans-113.5-31.9143-75.8165.6-170.400113.1R1102 K1104 L1109 K1110R1102-E1106 HydrophobicContact CG-CG 4.26Å; R1102-E1106 IonicContact CZ-OE1 3.3Å; R1102-E1106 IonicContact NE-OE1 2.77Å; R1102-E1106 PolarHBondContact NE-OE1 2.9Å; R1102-E1106 IonicContact NH2-OE1 2.73Å; R1102-E1106 PolarHBondContact NH2-OE1 2.93Å; R1102-E1106 WeakPolarHBondContact O-CB 3.4Å; R1102-E1106 WeakPolarHBondContact O-CG 3.34Å; R1102-E1106 PolarHBondContact O-N 2.78Å; K1104-E1106 CarbonylContact O-C 3.59Å; K1104-E1106 WeakPolarHBondContact O-CA 3.37Å; K1104-E1106 PolarHBondContact O-N 2.84Å; E1106-L1109 CarbonylContact O-C 3.58Å; E1106-L1109 VanDerWaalsContact O-C 3.32Å; E1106-K1110 WeakPolarHBondContact O-CA 3.32Å; E1106-K1110 VanDerWaalsContact O-CB 3.23Å; E1106-K1110 WeakPolarHBondContact O-CB 3.48Å; E1106-K1110 PolarHBondContact O-N 3.47Å
1107G68.9Low64.5Low26 Ų2684.1 Ų84.127%0.26842%0.419SS..THydrogen-bonded Turntrans-86.5-12.1170.400000116R1103 K1104 K1110 I1111R1103-G1107 WeakPolarHBondContact O-CA 3.2Å; R1103-G1107 PolarHBondContact O-N 3.42Å; K1104-G1107 CarbonylContact O-C 3.56Å; K1104-G1107 WeakPolarHBondContact O-CA 3.46Å; K1104-G1107 PolarHBondContact O-N 2.89Å; G1107-K1110 CarbonylContact O-C 3.42Å; G1107-I1111 VanDerWaalsContact O-CB 3.28Å; G1107-I1111 WeakPolarHBondContact O-CB 3.25Å; G1107-I1111 WeakPolarHBondContact O-CD1 3.21Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.41Å; G1107-I1111 PolarHBondContact O-N 2.63Å
1108D57.7Low65.2Low48 Ų4886.2 Ų86.226%0.25743%0.426SS..THydrogen-bonded Turntrans-110.3-6.9166.8-63.25.4000108.8K1104 L1105 S1112K1104-D1108 VanDerWaalsContact C-CB 3.49Å; K1104-D1108 HydrophobicContact CB-CB 4.37Å; K1104-D1108 WeakPolarHBondContact CB-OD2 3.47Å; K1104-D1108 WeakPolarHBondContact CD-OD2 3.26Å; K1104-D1108 WeakPolarHBondContact CG-OD1 3.33Å; K1104-D1108 WeakPolarHBondContact CG-OD2 3.22Å; K1104-D1108 WeakPolarHBondContact O-CA 3.46Å; K1104-D1108 WeakPolarHBondContact O-CB 3.3Å; K1104-D1108 PolarHBondContact O-N 3.24Å; L1105-D1108 HydrophobicContact CD2-CB 4.07Å; D1108-S1112 VanDerWaalsContact C-N 3.32Å; D1108-S1112 WeakPolarHBondContact O-CA 3.14Å; D1108-S1112 WeakPolarHBondContact O-CB 3.2Å; D1108-S1112 PolarHBondContact O-N 3.5Å
1109L66.4Low65.8Low90 Ų9089.6 Ų89.647%0.47144%0.439SS..THydrogen-bonded Turntrans-90.2-10.2147.2-164.872.2000110.5L1105 E1106 S1112 K1113L1105-L1109 WeakPolarHBondContact O-CB 3.47Å; E1106-L1109 CarbonylContact O-C 3.58Å; E1106-L1109 VanDerWaalsContact O-C 3.32Å; L1109-S1112 CarbonylContact O-C 3.59Å; L1109-K1113 WeakPolarHBondContact O-CB 3.47Å; L1109-K1113 WeakPolarHBondContact O-CD 3.19Å; L1109-K1113 WeakPolarHBondContact O-CG 3.1Å; L1109-K1113 PolarHBondContact O-N 2.91Å
1110K74.8Confident66.3Low110 Ų11089 Ų8948%0.47844%0.435SS..THydrogen-bonded Turntrans-93.1-33.1165.8-165.2179.9166.2-73.10110.3E1106 G1107 K1113 E1114E1106-K1110 WeakPolarHBondContact O-CA 3.32Å; E1106-K1110 VanDerWaalsContact O-CB 3.23Å; E1106-K1110 WeakPolarHBondContact O-CB 3.48Å; E1106-K1110 PolarHBondContact O-N 3.47Å; G1107-K1110 CarbonylContact O-C 3.42Å; K1110-K1113 CarbonylContact O-C 3.48Å; K1110-K1113 PolarHBondContact O-N 3.39Å; K1110-E1114 WeakPolarHBondContact CE-OE1 3.13Å; K1110-E1114 IonicContact NZ-OE1 2.76Å; K1110-E1114 PolarHBondContact NZ-OE1 3.22Å; K1110-E1114 IonicContact NZ-OE2 3.39Å; K1110-E1114 PolarHBondContact NZ-OE2 3.49Å; K1110-E1114 WeakPolarHBondContact O-CA 3.2Å; K1110-E1114 WeakPolarHBondContact O-CB 3.3Å; K1110-E1114 WeakPolarHBondContact O-CG 3.28Å; K1110-E1114 PolarHBondContact O-N 3.01Å
1111I68.6Low66.8Low85 Ų8588.4 Ų88.444%0.43644%0.435SS..Hα-helixtrans-86.3-6.3163.8-66.4161.2000110.6G1107 N1115G1107-I1111 VanDerWaalsContact O-CB 3.28Å; G1107-I1111 WeakPolarHBondContact O-CB 3.25Å; G1107-I1111 WeakPolarHBondContact O-CD1 3.21Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.41Å; G1107-I1111 PolarHBondContact O-N 2.63Å; I1111-N1115 WeakPolarHBondContact CG2-OD1 3.47Å; I1111-N1115 VanDerWaalsContact O-CA 3.24Å; I1111-N1115 WeakPolarHBondContact O-CA 3.42Å; I1111-N1115 WeakPolarHBondContact O-CB 3.46Å; I1111-N1115 PolarHBondContact O-N 2.86Å; I1111-N1115 PolarHBondContact O-OD1 3.12Å
1112S62.4Low67.4Low59 Ų5991.6 Ų91.641%0.41345%0.448SS..Hα-helixtrans-111.125.2155.7-1590000111.7D1108 L1109 S1116D1108-S1112 VanDerWaalsContact C-N 3.32Å; D1108-S1112 WeakPolarHBondContact O-CA 3.14Å; D1108-S1112 WeakPolarHBondContact O-CB 3.2Å; D1108-S1112 PolarHBondContact O-N 3.5Å; L1109-S1112 CarbonylContact O-C 3.59Å; S1112-S1116 WeakPolarHBondContact O-CB 3.24Å
1113K71.9Confident68Low124 Ų12491.4 Ų91.454%0.53945%0.447SS..Hα-helixtrans-118.3-22.8151.1-83.8173.2-179.6-178.40111.3L1109 K1110 S1116 D1117L1109-K1113 WeakPolarHBondContact O-CB 3.47Å; L1109-K1113 WeakPolarHBondContact O-CD 3.19Å; L1109-K1113 WeakPolarHBondContact O-CG 3.1Å; L1109-K1113 PolarHBondContact O-N 2.91Å; K1110-K1113 CarbonylContact O-C 3.48Å; K1110-K1113 PolarHBondContact O-N 3.39Å; K1113-S1116 CarbonylContact O-C 3.46Å; K1113-D1117 VanDerWaalsContact O-CA 3.29Å; K1113-D1117 WeakPolarHBondContact O-CA 3.32Å; K1113-D1117 WeakPolarHBondContact O-CB 3.19Å; K1113-D1117 PolarHBondContact O-N 2.8Å; K1113-D1117 VanDerWaalsContact O-OD2 3.11Å
1114E70.9Confident68.5Low87 Ų8786.6 Ų86.641%0.40743%0.434SS..Hα-helixtrans-88.2-28.5166.7-69.4164156.600108.7K1110 E1118K1110-E1114 WeakPolarHBondContact CE-OE1 3.13Å; K1110-E1114 IonicContact NZ-OE1 2.76Å; K1110-E1114 PolarHBondContact NZ-OE1 3.22Å; K1110-E1114 IonicContact NZ-OE2 3.39Å; K1110-E1114 PolarHBondContact NZ-OE2 3.49Å; K1110-E1114 WeakPolarHBondContact O-CA 3.2Å; K1110-E1114 WeakPolarHBondContact O-CB 3.3Å; K1110-E1114 WeakPolarHBondContact O-CG 3.28Å; K1110-E1114 PolarHBondContact O-N 3.01Å; E1114-E1118 WeakPolarHBondContact O-CA 3.32Å; E1114-E1118 WeakPolarHBondContact O-CB 3.41Å; E1114-E1118 WeakPolarHBondContact O-CG 3.1Å; E1114-E1118 PolarHBondContact O-N 3.48Å
1115N65.4Low69Low69 Ų6984.4 Ų84.437%0.36943%0.429SS..Hα-helixtrans-930.8156.5-48.210.7000113.6I1111 I1119I1111-N1115 WeakPolarHBondContact CG2-OD1 3.47Å; I1111-N1115 VanDerWaalsContact O-CA 3.24Å; I1111-N1115 WeakPolarHBondContact O-CA 3.42Å; I1111-N1115 WeakPolarHBondContact O-CB 3.46Å; I1111-N1115 PolarHBondContact O-N 2.86Å; I1111-N1115 PolarHBondContact O-OD1 3.12Å; N1115-I1119 WeakPolarHBondContact O-CA 3.29Å; N1115-I1119 WeakPolarHBondContact O-CB 3.38Å; N1115-I1119 VanDerWaalsContact O-CD1 3.23Å; N1115-I1119 WeakPolarHBondContact O-CD1 3.28Å; N1115-I1119 WeakPolarHBondContact O-CG1 3.42Å; N1115-I1119 PolarHBondContact O-N 2.9Å
1116S68.9Low69.5Low47 Ų4783.7 Ų83.733%0.32943%0.425SS..Hα-helixtrans-95.7-14.2156.7-173.50000112S1112 K1113 I1119 N1120S1112-S1116 WeakPolarHBondContact O-CB 3.24Å; K1113-S1116 CarbonylContact O-C 3.46Å; S1116-I1119 CarbonylContact O-C 3.35Å; S1116-N1120 WeakPolarHBondContact O-CA 3.17Å; S1116-N1120 VanDerWaalsContact O-CB 3.3Å; S1116-N1120 WeakPolarHBondContact O-CB 3.48Å; S1116-N1120 PolarHBondContact O-N 3.02Å; S1116-N1120 PolarHBondContact O-ND2 2.81Å
1117D74.7Confident69.6Low91 Ų9182.5 Ų82.549%0.48742%0.419SS..Hα-helixtrans-97-25.2170.2-68.9-28.3000111.1K1113 N1120 Q1121K1113-D1117 VanDerWaalsContact O-CA 3.29Å; K1113-D1117 WeakPolarHBondContact O-CA 3.32Å; K1113-D1117 WeakPolarHBondContact O-CB 3.19Å; K1113-D1117 PolarHBondContact O-N 2.8Å; K1113-D1117 VanDerWaalsContact O-OD2 3.11Å; D1117-N1120 CarbonylContact O-C 3.42Å; D1117-N1120 PolarHBondContact O-N 3.22Å; D1117-N1120 PolarHBondContact OD1-ND2 3.21Å; D1117-Q1121 WeakPolarHBondContact O-CA 3.05Å; D1117-Q1121 VanDerWaalsContact O-CB 3.25Å; D1117-Q1121 WeakPolarHBondContact O-CB 3.35Å; D1117-Q1121 PolarHBondContact O-N 3.45Å
1118E70.2Confident69.8Low112 Ų11282.7 Ų82.752%0.52342%0.419SS..Hα-helixtrans-80.8-23.7156.2-71.5178.8-179.100111.3E1114 Q1121 I1122E1114-E1118 WeakPolarHBondContact O-CA 3.32Å; E1114-E1118 WeakPolarHBondContact O-CB 3.41Å; E1114-E1118 WeakPolarHBondContact O-CG 3.1Å; E1114-E1118 PolarHBondContact O-N 3.48Å; E1118-Q1121 PolarHBondContact O-N 2.99Å; E1118-I1122 WeakPolarHBondContact O-CA 3.48Å; E1118-I1122 WeakPolarHBondContact O-CB 3.35Å; E1118-I1122 WeakPolarHBondContact O-CD1 3.06Å; E1118-I1122 WeakPolarHBondContact O-CG1 3.43Å; E1118-I1122 PolarHBondContact O-N 2.78Å
1119I69Low70.3Confident103 Ų10383.5 Ų83.553%0.52842%0.423SS..Hα-helixtrans-78.9-19.5158.7-68.3167.1000110.6N1115 S1116 R1123N1115-I1119 WeakPolarHBondContact O-CA 3.29Å; N1115-I1119 WeakPolarHBondContact O-CB 3.38Å; N1115-I1119 VanDerWaalsContact O-CD1 3.23Å; N1115-I1119 WeakPolarHBondContact O-CD1 3.28Å; N1115-I1119 WeakPolarHBondContact O-CG1 3.42Å; N1115-I1119 PolarHBondContact O-N 2.9Å; S1116-I1119 CarbonylContact O-C 3.35Å; I1119-R1123 WeakPolarHBondContact O-CA 2.92Å; I1119-R1123 WeakPolarHBondContact O-CB 3.21Å; I1119-R1123 PolarHBondContact O-N 2.88Å
1120N70.8Confident70.4Confident46 Ų4682.5 Ų82.525%0.24642%0.421CS..Hα-helixtrans-77.3-28163.1-70.9-46000110.9S1116 D1117 R1123 L1124S1116-N1120 WeakPolarHBondContact O-CA 3.17Å; S1116-N1120 VanDerWaalsContact O-CB 3.3Å; S1116-N1120 WeakPolarHBondContact O-CB 3.48Å; S1116-N1120 PolarHBondContact O-N 3.02Å; S1116-N1120 PolarHBondContact O-ND2 2.81Å; D1117-N1120 CarbonylContact O-C 3.42Å; D1117-N1120 PolarHBondContact O-N 3.22Å; D1117-N1120 PolarHBondContact OD1-ND2 3.21Å; N1120-R1123 CarbonylContact O-C 3.51Å; N1120-R1123 PolarHBondContact O-N 3.46Å; N1120-R1123 PolarHBondContact OD1-NH1 2.72Å; N1120-L1124 WeakPolarHBondContact O-CA 3.01Å; N1120-L1124 WeakPolarHBondContact O-CB 2.96Å; N1120-L1124 WeakPolarHBondContact O-CD1 2.94Å; N1120-L1124 WeakPolarHBondContact O-CG 3.04Å; N1120-L1124 PolarHBondContact O-N 2.89Å
1121Q74.5Confident70.2Confident107 Ų10784.9 Ų84.950%0.543%0.426SS..Hα-helixtrans-83.6-35.8177.7-129.369.5-16.300111.1D1117 E1118 R1123 L1124 D1125D1117-Q1121 WeakPolarHBondContact O-CA 3.05Å; D1117-Q1121 VanDerWaalsContact O-CB 3.25Å; D1117-Q1121 WeakPolarHBondContact O-CB 3.35Å; D1117-Q1121 PolarHBondContact O-N 3.45Å; E1118-Q1121 PolarHBondContact O-N 2.99Å; Q1121-R1123 VanDerWaalsContact C-N 3.33Å; Q1121-L1124 CarbonylContact O-C 3.57Å; Q1121-L1124 PolarHBondContact O-N 2.92Å; Q1121-D1125 WeakPolarHBondContact O-CA 3.19Å; Q1121-D1125 WeakPolarHBondContact O-CB 3.21Å; Q1121-D1125 PolarHBondContact O-N 2.92Å
1122I69.1Low70.4Confident90 Ų9086.8 Ų86.846%0.46243%0.428SS..Hα-helixtrans-77.4-17.3166.4-62.2162.7000110E1118 D1125 L1126E1118-I1122 WeakPolarHBondContact O-CA 3.48Å; E1118-I1122 WeakPolarHBondContact O-CB 3.35Å; E1118-I1122 WeakPolarHBondContact O-CD1 3.06Å; E1118-I1122 WeakPolarHBondContact O-CG1 3.43Å; E1118-I1122 PolarHBondContact O-N 2.78Å; I1122-D1125 CarbonylContact O-C 3.5Å; I1122-L1126 HydrophobicContact CG2-CD1 3.83Å; I1122-L1126 HydrophobicContact CG2-CG 4.09Å; I1122-L1126 VanDerWaalsContact O-CA 3.28Å; I1122-L1126 WeakPolarHBondContact O-CA 2.86Å; I1122-L1126 WeakPolarHBondContact O-CB 3.2Å; I1122-L1126 WeakPolarHBondContact O-CD1 3.12Å; I1122-L1126 WeakPolarHBondContact O-CG 3.26Å; I1122-L1126 PolarHBondContact O-N 3.2Å
1123R72.9Confident70.5Confident116 Ų11689.1 Ų89.144%0.43843%0.431SS..Hα-helixtrans-90.9-11.6162.4-158-158.782.5-118.2-13.3112.3I1119 N1120 Q1121 L1126 E1127I1119-R1123 WeakPolarHBondContact O-CA 2.92Å; I1119-R1123 WeakPolarHBondContact O-CB 3.21Å; I1119-R1123 PolarHBondContact O-N 2.88Å; N1120-R1123 CarbonylContact O-C 3.51Å; N1120-R1123 PolarHBondContact O-N 3.46Å; N1120-R1123 PolarHBondContact OD1-NH1 2.72Å; Q1121-R1123 VanDerWaalsContact C-N 3.33Å; R1123-L1126 CarbonylContact O-C 3.52Å; R1123-E1127 IonicContact CZ-OE1 3.65Å; R1123-E1127 IonicContact NE-OE1 2.81Å; R1123-E1127 PolarHBondContact NE-OE1 2.97Å; R1123-E1127 IonicContact NH2-OE1 3.19Å; R1123-E1127 PolarHBondContact NH2-OE1 3.23Å; R1123-E1127 WeakPolarHBondContact O-CA 3.37Å; R1123-E1127 WeakPolarHBondContact O-CB 2.96Å; R1123-E1127 WeakPolarHBondContact O-CG 2.96Å; R1123-E1127 PolarHBondContact O-N 2.73Å
1124L75.5Confident70.5Confident80 Ų8088.4 Ų88.442%0.41943%0.429SS..Hα-helixtrans-89.3-25.5165.6-80.1165.2000110.9N1120 Q1121 E1127 A1128N1120-L1124 WeakPolarHBondContact O-CA 3.01Å; N1120-L1124 WeakPolarHBondContact O-CB 2.96Å; N1120-L1124 WeakPolarHBondContact O-CD1 2.94Å; N1120-L1124 WeakPolarHBondContact O-CG 3.04Å; N1120-L1124 PolarHBondContact O-N 2.89Å; Q1121-L1124 CarbonylContact O-C 3.57Å; Q1121-L1124 PolarHBondContact O-N 2.92Å; L1124-E1127 CarbonylContact O-C 3.5Å; L1124-A1128 WeakPolarHBondContact O-CA 2.87Å; L1124-A1128 WeakPolarHBondContact O-CB 3.45Å; L1124-A1128 PolarHBondContact O-N 2.92Å
1125D70.7Confident70.5Confident82 Ų8290.4 Ų90.444%0.43944%0.439SS..THydrogen-bonded Turntrans-93.7-13.4169.3-77-32.4000111.8Q1121 I1122 N1129Q1121-D1125 WeakPolarHBondContact O-CA 3.19Å; Q1121-D1125 WeakPolarHBondContact O-CB 3.21Å; Q1121-D1125 PolarHBondContact O-N 2.92Å; I1122-D1125 CarbonylContact O-C 3.5Å; D1125-N1129 VanDerWaalsContact O-CA 3.28Å; D1125-N1129 WeakPolarHBondContact O-CA 3.19Å; D1125-N1129 WeakPolarHBondContact O-CB 3.47Å; D1125-N1129 PolarHBondContact O-N 3.49Å; D1125-N1129 PolarHBondContact O-ND2 2.7Å
1126L68.4Low70.6Confident93 Ų9391 Ų9149%0.48744%0.439SS..THydrogen-bonded Turntrans-98.8-1.5156.1-65.8166.6000111.3I1122 R1123 N1129 V1130I1122-L1126 HydrophobicContact CG2-CD1 3.83Å; I1122-L1126 HydrophobicContact CG2-CG 4.09Å; I1122-L1126 VanDerWaalsContact O-CA 3.28Å; I1122-L1126 WeakPolarHBondContact O-CA 2.86Å; I1122-L1126 WeakPolarHBondContact O-CB 3.2Å; I1122-L1126 WeakPolarHBondContact O-CD1 3.12Å; I1122-L1126 WeakPolarHBondContact O-CG 3.26Å; I1122-L1126 PolarHBondContact O-N 3.2Å; R1123-L1126 CarbonylContact O-C 3.52Å; L1126-N1129 HydrophobicContact CD2-CB 4.34Å; L1126-V1130 VanDerWaalsContact C-N 3.33Å; L1126-V1130 VanDerWaalsContact O-CA 3.3Å; L1126-V1130 WeakPolarHBondContact O-CA 3.31Å; L1126-V1130 WeakPolarHBondContact O-CB 3.15Å; L1126-V1130 WeakPolarHBondContact O-CG2 3.16Å; L1126-V1130 PolarHBondContact O-N 2.72Å
1127E70.5Confident70.6Confident67 Ų6793.7 Ų93.731%0.31345%0.449SS..THydrogen-bonded Turntrans-94.9-18.3155.9-80.6164.9-143.900109.7R1123 L1124 R1131R1123-E1127 IonicContact CZ-OE1 3.65Å; R1123-E1127 IonicContact NE-OE1 2.81Å; R1123-E1127 PolarHBondContact NE-OE1 2.97Å; R1123-E1127 IonicContact NH2-OE1 3.19Å; R1123-E1127 PolarHBondContact NH2-OE1 3.23Å; R1123-E1127 WeakPolarHBondContact O-CA 3.37Å; R1123-E1127 WeakPolarHBondContact O-CB 2.96Å; R1123-E1127 WeakPolarHBondContact O-CG 2.96Å; R1123-E1127 PolarHBondContact O-N 2.73Å; L1124-E1127 CarbonylContact O-C 3.5Å; E1127-R1131 WeakPolarHBondContact O-CA 3.32Å; E1127-R1131 WeakPolarHBondContact O-CB 3.12Å; E1127-R1131 WeakPolarHBondContact O-CD 2.85Å; E1127-R1131 WeakPolarHBondContact O-CG 3.35Å; E1127-R1131 PolarHBondContact O-N 2.91Å
1128A73Confident70.5Confident31 Ų3192.4 Ų92.426%0.25645%0.447SS..Hα-helixtrans-95.2-20.8168.500000112.3L1124 R1132L1124-A1128 WeakPolarHBondContact O-CA 2.87Å; L1124-A1128 WeakPolarHBondContact O-CB 3.45Å; L1124-A1128 PolarHBondContact O-N 2.92Å; A1128-R1132 WeakPolarHBondContact O-CB 3.38Å; A1128-R1132 WeakPolarHBondContact O-CG 2.84Å; A1128-R1132 PolarHBondContact O-N 3.29Å; A1128-R1132 PolarHBondContact O-NE 3.29Å
1129N68Low70.6Confident64 Ų6490.8 Ų90.834%0.34245%0.445SS..Hα-helixtrans-94.7-15.5159.9-63.8-33.4000112.6D1125 L1126 R1132 K1133D1125-N1129 VanDerWaalsContact O-CA 3.28Å; D1125-N1129 WeakPolarHBondContact O-CA 3.19Å; D1125-N1129 WeakPolarHBondContact O-CB 3.47Å; D1125-N1129 PolarHBondContact O-N 3.49Å; D1125-N1129 PolarHBondContact O-ND2 2.7Å; L1126-N1129 HydrophobicContact CD2-CB 4.34Å; N1129-R1132 PolarHBondContact OD1-NH1 2.82Å; N1129-K1133 WeakPolarHBondContact O-CA 3.42Å; N1129-K1133 WeakPolarHBondContact O-CB 3.4Å; N1129-K1133 WeakPolarHBondContact O-CG 3.48Å; N1129-K1133 PolarHBondContact O-N 2.76Å
1130V68.4Low70.3Confident70 Ų7091.5 Ų91.542%0.42445%0.448SS..Hα-helixtrans-79.9-30.2154.8171.80000110L1126 K1133 E1134L1126-V1130 VanDerWaalsContact C-N 3.33Å; L1126-V1130 VanDerWaalsContact O-CA 3.3Å; L1126-V1130 WeakPolarHBondContact O-CA 3.31Å; L1126-V1130 WeakPolarHBondContact O-CB 3.15Å; L1126-V1130 WeakPolarHBondContact O-CG2 3.16Å; L1126-V1130 PolarHBondContact O-N 2.72Å; V1130-K1133 CarbonylContact O-C 3.56Å; V1130-K1133 PolarHBondContact O-N 2.64Å; V1130-E1134 HydrophobicContact CG1-CG 3.9Å; V1130-E1134 WeakPolarHBondContact O-CA 3.43Å; V1130-E1134 WeakPolarHBondContact O-CB 2.99Å; V1130-E1134 WeakPolarHBondContact O-CG 3Å; V1130-E1134 PolarHBondContact O-N 3.39Å
1131R71.2Confident70.2Confident159 Ų15991.7 Ų91.760%0.646%0.455SS*.Hα-helixtrans-70.3-38.7165.5-79.1168.9-174.7165.88.4113.2E1127 K1133 E1134 E1135E1127-R1131 WeakPolarHBondContact O-CA 3.32Å; E1127-R1131 WeakPolarHBondContact O-CB 3.12Å; E1127-R1131 WeakPolarHBondContact O-CD 2.85Å; E1127-R1131 WeakPolarHBondContact O-CG 3.35Å; E1127-R1131 PolarHBondContact O-N 2.91Å; R1131-K1133 VanDerWaalsContact C-N 3.31Å; R1131-E1134 WeakPolarHBondContact CG-OE2 2.99Å; R1131-E1134 CarbonylContact O-C 3.59Å; R1131-E1134 PolarHBondContact O-N 2.76Å; R1131-E1134 VanDerWaalsContact O-N 3.12Å; R1131-E1135 VanDerWaalsContact O-CB 3.3Å; R1131-E1135 WeakPolarHBondContact O-CB 3.28Å; R1131-E1135 WeakPolarHBondContact O-CG 3.36Å; R1131-E1135 PolarHBondContact O-N 3.22Å
1132R71Confident70Confident126 Ų12693.8 Ų93.848%0.47546%0.459SS..Hα-helixtrans-70.6-25.5167.8-81177.1-91.6152.3-7.9112.4A1128 N1129 E1136A1128-R1132 WeakPolarHBondContact O-CB 3.38Å; A1128-R1132 WeakPolarHBondContact O-CG 2.84Å; A1128-R1132 PolarHBondContact O-N 3.29Å; A1128-R1132 PolarHBondContact O-NE 3.29Å; N1129-R1132 PolarHBondContact OD1-NH1 2.82Å; R1132-E1136 WeakPolarHBondContact O-CA 3.49Å; R1132-E1136 WeakPolarHBondContact O-CB 3.46Å; R1132-E1136 WeakPolarHBondContact O-CG 3.13Å; R1132-E1136 PolarHBondContact O-N 3.48Å
1133K66Low69.9Low107 Ų10792.4 Ų92.447%0.46546%0.457SS..Hα-helixtrans-84.7-2164.9-64.9-75.6178.1-165.60114N1129 V1130 R1131 E1136 I1137N1129-K1133 WeakPolarHBondContact O-CA 3.42Å; N1129-K1133 WeakPolarHBondContact O-CB 3.4Å; N1129-K1133 WeakPolarHBondContact O-CG 3.48Å; N1129-K1133 PolarHBondContact O-N 2.76Å; V1130-K1133 CarbonylContact O-C 3.56Å; V1130-K1133 PolarHBondContact O-N 2.64Å; R1131-K1133 VanDerWaalsContact C-N 3.31Å; K1133-E1136 HydrophobicContact CD-CB 4.37Å; K1133-E1136 WeakPolarHBondContact CD-OE2 3.38Å; K1133-E1136 WeakPolarHBondContact CE-OE2 2.96Å; K1133-E1136 IonicContact NZ-OE2 3.18Å; K1133-E1136 PolarHBondContact NZ-OE2 3.31Å; K1133-I1137 WeakPolarHBondContact O-CA 3.05Å; K1133-I1137 WeakPolarHBondContact O-CB 2.92Å; K1133-I1137 WeakPolarHBondContact O-CD1 3Å; K1133-I1137 WeakPolarHBondContact O-CG1 3.06Å; K1133-I1137 PolarHBondContact O-N 2.85Å
1134E70.5Confident69.5Low109 Ų10991.3 Ų91.351%0.50946%0.459SS..Hα-helixtrans-104.2-20.6169.6-77.9165.9162.300109.4V1130 R1131 I1137 S1138V1130-E1134 HydrophobicContact CG1-CG 3.9Å; V1130-E1134 WeakPolarHBondContact O-CA 3.43Å; V1130-E1134 WeakPolarHBondContact O-CB 2.99Å; V1130-E1134 WeakPolarHBondContact O-CG 3Å; V1130-E1134 PolarHBondContact O-N 3.39Å; R1131-E1134 WeakPolarHBondContact CG-OE2 2.99Å; R1131-E1134 CarbonylContact O-C 3.59Å; R1131-E1134 PolarHBondContact O-N 2.76Å; R1131-E1134 VanDerWaalsContact O-N 3.12Å; E1134-I1137 CarbonylContact O-C 3.49Å; E1134-S1138 VanDerWaalsContact O-CA 3.29Å; E1134-S1138 WeakPolarHBondContact O-CA 3.5Å; E1134-S1138 WeakPolarHBondContact O-CB 3.07Å; E1134-S1138 PolarHBondContact O-N 3.09Å
1135E71.9Confident69.2Low129 Ų12990 Ų9060%0.60346%0.46SS*.Hα-helixtrans-85.2-32.2164-71.9177.8158.200109.6R1131 S1138 T1139R1131-E1135 VanDerWaalsContact O-CB 3.3Å; R1131-E1135 WeakPolarHBondContact O-CB 3.28Å; R1131-E1135 WeakPolarHBondContact O-CG 3.36Å; R1131-E1135 PolarHBondContact O-N 3.22Å; E1135-S1138 CarbonylContact O-C 3.57Å; E1135-T1139 WeakPolarHBondContact O-CA 3.05Å; E1135-T1139 VanDerWaalsContact O-CB 3.24Å; E1135-T1139 WeakPolarHBondContact O-CB 2.97Å; E1135-T1139 VanDerWaalsContact O-CG2 3.3Å; E1135-T1139 WeakPolarHBondContact O-CG2 3.07Å; E1135-T1139 PolarHBondContact O-N 3.06Å; E1135-T1139 PolarHBondContact O-OG1 3.26Å
1136E67.4Low69.1Low82 Ų8291.8 Ų91.838%0.38347%0.466SS..Hα-helixtrans-82.1-23.4163.9-69.3170.6-14400112.3R1132 K1133 T1139 M1140R1132-E1136 WeakPolarHBondContact O-CA 3.49Å; R1132-E1136 WeakPolarHBondContact O-CB 3.46Å; R1132-E1136 WeakPolarHBondContact O-CG 3.13Å; R1132-E1136 PolarHBondContact O-N 3.48Å; K1133-E1136 HydrophobicContact CD-CB 4.37Å; K1133-E1136 WeakPolarHBondContact CD-OE2 3.38Å; K1133-E1136 WeakPolarHBondContact CE-OE2 2.96Å; K1133-E1136 IonicContact NZ-OE2 3.18Å; K1133-E1136 PolarHBondContact NZ-OE2 3.31Å; E1136-T1139 WeakPolarHBondContact CA-OG1 3.1Å; E1136-M1140 VanDerWaalsContact O-CA 3.26Å; E1136-M1140 WeakPolarHBondContact O-CA 3.35Å; E1136-M1140 WeakPolarHBondContact O-CB 3.17Å; E1136-M1140 WeakPolarHBondContact O-CG 3.37Å; E1136-M1140 PolarHBondContact O-N 2.83Å
1137I69Low68.7Low104 Ų10492.7 Ų92.753%0.53347%0.468SS..Hα-helixtrans-85.8-14.1162.5-69.1163.6000110.4K1133 E1134 A1141K1133-I1137 WeakPolarHBondContact O-CA 3.05Å; K1133-I1137 WeakPolarHBondContact O-CB 2.92Å; K1133-I1137 WeakPolarHBondContact O-CD1 3Å; K1133-I1137 WeakPolarHBondContact O-CG1 3.06Å; K1133-I1137 PolarHBondContact O-N 2.85Å; E1134-I1137 CarbonylContact O-C 3.49Å; I1137-A1141 VanDerWaalsContact O-CA 3.26Å; I1137-A1141 WeakPolarHBondContact O-CA 3.02Å; I1137-A1141 WeakPolarHBondContact O-CB 3.17Å; I1137-A1141 PolarHBondContact O-N 2.82Å
1138S73.3Confident68.3Low63 Ų6393.7 Ų93.744%0.44147%0.472SS..Hα-helixtrans-90.1-19.2166.6179.90000112.4E1134 E1135 R1142E1134-S1138 VanDerWaalsContact O-CA 3.29Å; E1134-S1138 WeakPolarHBondContact O-CA 3.5Å; E1134-S1138 WeakPolarHBondContact O-CB 3.07Å; E1134-S1138 PolarHBondContact O-N 3.09Å; E1135-S1138 CarbonylContact O-C 3.57Å; S1138-R1142 WeakPolarHBondContact O-CB 3.48Å; S1138-R1142 PolarHBondContact O-N 3.03Å
1139T70.4Confident68.2Low78 Ų7895.8 Ų95.848%0.47948%0.479SS..Hα-helixtrans-99-18.6168.555.50000112.2E1135 E1136 S1143E1135-T1139 WeakPolarHBondContact O-CA 3.05Å; E1135-T1139 VanDerWaalsContact O-CB 3.24Å; E1135-T1139 WeakPolarHBondContact O-CB 2.97Å; E1135-T1139 VanDerWaalsContact O-CG2 3.3Å; E1135-T1139 WeakPolarHBondContact O-CG2 3.07Å; E1135-T1139 PolarHBondContact O-N 3.06Å; E1135-T1139 PolarHBondContact O-OG1 3.26Å; E1136-T1139 WeakPolarHBondContact CA-OG1 3.1Å; T1139-S1143 WeakPolarHBondContact O-CA 3.32Å; T1139-S1143 WeakPolarHBondContact O-CB 3.24Å; T1139-S1143 PolarHBondContact O-N 3.25Å
1140M63.5Low68.2Low119 Ų11994.3 Ų94.359%0.58648%0.476SS*.THydrogen-bonded Turntrans-89.3-7.8156.5-63.9-155.7-52.600113.5E1136 L1144E1136-M1140 VanDerWaalsContact O-CA 3.26Å; E1136-M1140 WeakPolarHBondContact O-CA 3.35Å; E1136-M1140 WeakPolarHBondContact O-CB 3.17Å; E1136-M1140 WeakPolarHBondContact O-CG 3.37Å; E1136-M1140 PolarHBondContact O-N 2.83Å; M1140-L1144 VanDerWaalsContact O-CA 3.28Å; M1140-L1144 WeakPolarHBondContact O-CA 3.46Å; M1140-L1144 WeakPolarHBondContact O-CB 3.12Å; M1140-L1144 PolarHBondContact O-N 2.71Å
1141A68.1Low67.9Low49 Ų4994.9 Ų94.941%0.40547%0.473SS..THydrogen-bonded Turntrans-105.3-1.4160.300000112.4I1137 A1145I1137-A1141 VanDerWaalsContact O-CA 3.26Å; I1137-A1141 WeakPolarHBondContact O-CA 3.02Å; I1137-A1141 WeakPolarHBondContact O-CB 3.17Å; I1137-A1141 PolarHBondContact O-N 2.82Å; A1141-A1145 WeakPolarHBondContact O-CB 3.39Å; A1141-A1145 PolarHBondContact O-N 3.27Å
1142R70.8Confident67.9Low151 Ų15192 Ų9257%0.5747%0.469SS*.THydrogen-bonded Turntrans-86.1-41.6151.4-175.3173.8-66.11532.6109.9S1138 L1144 A1145 E1146S1138-R1142 WeakPolarHBondContact O-CB 3.48Å; S1138-R1142 PolarHBondContact O-N 3.03Å; R1142-L1144 VanDerWaalsContact C-N 3.33Å; R1142-A1145 CarbonylContact O-C 3.54Å; R1142-A1145 WeakPolarHBondContact O-CA 3.1Å; R1142-A1145 PolarHBondContact O-N 2.86Å; R1142-E1146 VanDerWaalsContact CG-OE1 3.28Å; R1142-E1146 WeakPolarHBondContact CG-OE1 3.36Å; R1142-E1146 VanDerWaalsContact O-CB 3.29Å; R1142-E1146 WeakPolarHBondContact O-CB 2.94Å; R1142-E1146 VanDerWaalsContact O-CG 3.28Å; R1142-E1146 WeakPolarHBondContact O-CG 3.32Å; R1142-E1146 PolarHBondContact O-N 2.99Å
1143S67.7Low67.6Low62 Ų6292 Ų9243%0.43447%0.472SS..Hα-helixtrans-75.3-16.9170.9-166.50000112.9T1139 E1147T1139-S1143 WeakPolarHBondContact O-CA 3.32Å; T1139-S1143 WeakPolarHBondContact O-CB 3.24Å; T1139-S1143 PolarHBondContact O-N 3.25Å; S1143-E1147 WeakPolarHBondContact O-CA 3.24Å; S1143-E1147 WeakPolarHBondContact O-CB 3.38Å; S1143-E1147 WeakPolarHBondContact O-CG 3.49Å; S1143-E1147 PolarHBondContact O-N 3.17Å
1144L63.4Low67.5Low92 Ų9291.8 Ų91.848%0.48248%0.476SS..Hα-helixtrans-101.87.8161.3-166.8128.4000112.4M1140 R1142 E1148M1140-L1144 VanDerWaalsContact O-CA 3.28Å; M1140-L1144 WeakPolarHBondContact O-CA 3.46Å; M1140-L1144 WeakPolarHBondContact O-CB 3.12Å; M1140-L1144 PolarHBondContact O-N 2.71Å; R1142-L1144 VanDerWaalsContact C-N 3.33Å; L1144-E1148 HydrophobicContact CD2-CG 4.06Å; L1144-E1148 HydrophobicContact CG-CG 4.16Å; L1144-E1148 WeakPolarHBondContact O-CA 3.26Å; L1144-E1148 WeakPolarHBondContact O-CB 3.24Å; L1144-E1148 WeakPolarHBondContact O-CG 3.35Å; L1144-E1148 PolarHBondContact O-N 2.86Å
1145A69.2Low66.9Low52 Ų5290.9 Ų90.943%0.4347%0.471SS..Hα-helixtrans-97.5-19.5152.800000111.2A1141 R1142 D1149A1141-A1145 WeakPolarHBondContact O-CB 3.39Å; A1141-A1145 PolarHBondContact O-N 3.27Å; R1142-A1145 CarbonylContact O-C 3.54Å; R1142-A1145 WeakPolarHBondContact O-CA 3.1Å; R1142-A1145 PolarHBondContact O-N 2.86Å; A1145-D1149 WeakPolarHBondContact O-CA 3.12Å; A1145-D1149 WeakPolarHBondContact O-CB 3.06Å; A1145-D1149 PolarHBondContact O-N 3.1Å
1146E69.9Low66.8Low121 Ų12191 Ų9157%0.56547%0.47SS*.Hα-helixtrans-90.2-32.6169.9-71.4163.8-15800109.9R1142 A1150R1142-E1146 VanDerWaalsContact CG-OE1 3.28Å; R1142-E1146 WeakPolarHBondContact CG-OE1 3.36Å; R1142-E1146 VanDerWaalsContact O-CB 3.29Å; R1142-E1146 WeakPolarHBondContact O-CB 2.94Å; R1142-E1146 VanDerWaalsContact O-CG 3.28Å; R1142-E1146 WeakPolarHBondContact O-CG 3.32Å; R1142-E1146 PolarHBondContact O-N 2.99Å; E1146-A1150 WeakPolarHBondContact O-CA 3.44Å; E1146-A1150 WeakPolarHBondContact O-CB 3.25Å; E1146-A1150 PolarHBondContact O-N 2.81Å
1147E60.4Low66.7Low112 Ų11289 Ų8952%0.52347%0.467SS..Hα-helixtrans-78.5-19.9158.3-84.5-86174.600111.8S1143 K1151S1143-E1147 WeakPolarHBondContact O-CA 3.24Å; S1143-E1147 WeakPolarHBondContact O-CB 3.38Å; S1143-E1147 WeakPolarHBondContact O-CG 3.49Å; S1143-E1147 PolarHBondContact O-N 3.17Å; E1147-K1151 VanDerWaalsContact O-CA 3.3Å; E1147-K1151 WeakPolarHBondContact O-CA 3.21Å; E1147-K1151 WeakPolarHBondContact O-CB 3.38Å; E1147-K1151 PolarHBondContact O-N 2.7Å
1148E61.7Low66.3Low87 Ų8787.8 Ų87.841%0.40746%0.461SS..Hα-helixtrans-83.6-25.2163.2-77.6-165.9149.800113.9L1144 K1151 L1152L1144-E1148 HydrophobicContact CD2-CG 4.06Å; L1144-E1148 HydrophobicContact CG-CG 4.16Å; L1144-E1148 WeakPolarHBondContact O-CA 3.26Å; L1144-E1148 WeakPolarHBondContact O-CB 3.24Å; L1144-E1148 WeakPolarHBondContact O-CG 3.35Å; L1144-E1148 PolarHBondContact O-N 2.86Å; E1148-K1151 HydrophobicContact CG-CD 4.33Å; E1148-K1151 CarbonylContact O-C 3.53Å; E1148-K1151 IonicContact OE1-NZ 3.36Å; E1148-K1151 PolarHBondContact OE1-NZ 2.87Å; E1148-L1152 WeakPolarHBondContact O-CA 3.31Å; E1148-L1152 WeakPolarHBondContact O-CB 3.14Å; E1148-L1152 WeakPolarHBondContact O-CD1 3.4Å; E1148-L1152 WeakPolarHBondContact O-CG 3.37Å; E1148-L1152 PolarHBondContact O-N 3.47Å
1149D69.4Low66.2Low76 Ų7692 Ų9241%0.40647%0.472SS..Hα-helixtrans-80.9-30.6168.6-170.752000110.9A1145 L1152 K1153A1145-D1149 WeakPolarHBondContact O-CA 3.12Å; A1145-D1149 WeakPolarHBondContact O-CB 3.06Å; A1145-D1149 PolarHBondContact O-N 3.1Å; D1149-L1152 CarbonylContact O-C 3.58Å; D1149-L1152 PolarHBondContact O-N 3.31Å; D1149-K1153 VanDerWaalsContact O-CB 3.29Å; D1149-K1153 WeakPolarHBondContact O-CB 3.29Å; D1149-K1153 WeakPolarHBondContact O-CD 3.29Å; D1149-K1153 WeakPolarHBondContact O-CG 3.39Å; D1149-K1153 PolarHBondContact O-N 3.07Å; D1149-K1153 WeakPolarHBondContact OD2-CE 3.32Å; D1149-K1153 IonicContact OD2-NZ 2.91Å; D1149-K1153 PolarHBondContact OD2-NZ 3Å
1150A68.1Low65.9Low33 Ų3393.8 Ų93.827%0.27347%0.474SS..Hα-helixtrans-76.9-32.8168.200000112E1146 K1153 L1154E1146-A1150 WeakPolarHBondContact O-CA 3.44Å; E1146-A1150 WeakPolarHBondContact O-CB 3.25Å; E1146-A1150 PolarHBondContact O-N 2.81Å; A1150-K1153 CarbonylContact O-C 3.37Å; A1150-K1153 PolarHBondContact O-N 3.5Å; A1150-L1154 WeakPolarHBondContact O-CA 3.18Å; A1150-L1154 WeakPolarHBondContact O-CB 3.31Å; A1150-L1154 WeakPolarHBondContact O-CG 3.47Å; A1150-L1154 PolarHBondContact O-N 3.27Å
1151K63.9Low65.8Low82 Ų8293.1 Ų93.136%0.35747%0.471SS..Hα-helixtrans-76.5-17.4165.1176.1-175.5150-151.30112E1147 E1148 L1154 Q1155E1147-K1151 VanDerWaalsContact O-CA 3.3Å; E1147-K1151 WeakPolarHBondContact O-CA 3.21Å; E1147-K1151 WeakPolarHBondContact O-CB 3.38Å; E1147-K1151 PolarHBondContact O-N 2.7Å; E1148-K1151 HydrophobicContact CG-CD 4.33Å; E1148-K1151 CarbonylContact O-C 3.53Å; E1148-K1151 IonicContact OE1-NZ 3.36Å; E1148-K1151 PolarHBondContact OE1-NZ 2.87Å; K1151-L1154 CarbonylContact O-C 3.38Å; K1151-Q1155 HydrophobicContact CG-CG 4.01Å; K1151-Q1155 VanDerWaalsContact O-CA 3.25Å; K1151-Q1155 WeakPolarHBondContact O-CA 3.28Å; K1151-Q1155 WeakPolarHBondContact O-CB 3.49Å; K1151-Q1155 WeakPolarHBondContact O-CG 3.39Å; K1151-Q1155 PolarHBondContact O-N 3.27Å
1152L70.5Confident65.5Low99 Ų9994.9 Ų94.952%0.51847%0.471SS..Hα-helixtrans-86-24.8166.2-79.9164.6000111.3E1148 D1149 K1156E1148-L1152 WeakPolarHBondContact O-CA 3.31Å; E1148-L1152 WeakPolarHBondContact O-CB 3.14Å; E1148-L1152 WeakPolarHBondContact O-CD1 3.4Å; E1148-L1152 WeakPolarHBondContact O-CG 3.37Å; E1148-L1152 PolarHBondContact O-N 3.47Å; D1149-L1152 CarbonylContact O-C 3.58Å; D1149-L1152 PolarHBondContact O-N 3.31Å; L1152-K1156 WeakPolarHBondContact O-CA 3.41Å; L1152-K1156 WeakPolarHBondContact O-CB 3.48Å; L1152-K1156 VanDerWaalsContact O-CG 3.23Å; L1152-K1156 WeakPolarHBondContact O-CG 3.37Å; L1152-K1156 PolarHBondContact O-N 2.79Å
1153K64.6Low65.5Low125 Ų12591.2 Ų91.254%0.54347%0.465SS..Hα-helixtrans-80-27165.5-71.7161.5-167.1162.30112.4D1149 A1150 A1157D1149-K1153 VanDerWaalsContact O-CB 3.29Å; D1149-K1153 WeakPolarHBondContact O-CB 3.29Å; D1149-K1153 WeakPolarHBondContact O-CD 3.29Å; D1149-K1153 WeakPolarHBondContact O-CG 3.39Å; D1149-K1153 PolarHBondContact O-N 3.07Å; D1149-K1153 WeakPolarHBondContact OD2-CE 3.32Å; D1149-K1153 IonicContact OD2-NZ 2.91Å; D1149-K1153 PolarHBondContact OD2-NZ 3Å; A1150-K1153 CarbonylContact O-C 3.37Å; A1150-K1153 PolarHBondContact O-N 3.5Å; K1153-A1157 WeakPolarHBondContact O-CA 3.03Å; K1153-A1157 WeakPolarHBondContact O-CB 3.5Å; K1153-A1157 PolarHBondContact O-N 2.98Å
1154L62.8Low65.6Low103 Ų10392.9 Ų92.954%0.53947%0.466SS..Hα-helixtrans-95.7-12173.5-71.6167.2000112.3A1150 K1151 L1158A1150-L1154 WeakPolarHBondContact O-CA 3.18Å; A1150-L1154 WeakPolarHBondContact O-CB 3.31Å; A1150-L1154 WeakPolarHBondContact O-CG 3.47Å; A1150-L1154 PolarHBondContact O-N 3.27Å; K1151-L1154 CarbonylContact O-C 3.38Å; L1154-L1158 VanDerWaalsContact O-CA 3.28Å; L1154-L1158 WeakPolarHBondContact O-CA 3.29Å; L1154-L1158 WeakPolarHBondContact O-CB 3.49Å; L1154-L1158 WeakPolarHBondContact O-CD1 3.39Å; L1154-L1158 WeakPolarHBondContact O-CG 3.05Å; L1154-L1158 PolarHBondContact O-N 3.1Å
1155Q59.7Low65.5Low89 Ų8993.1 Ų93.142%0.41647%0.467SS..Hα-helixtrans-97.1-12.3159.9-71.4178.5-19.700111.5K1151 K1159K1151-Q1155 HydrophobicContact CG-CG 4.01Å; K1151-Q1155 VanDerWaalsContact O-CA 3.25Å; K1151-Q1155 WeakPolarHBondContact O-CA 3.28Å; K1151-Q1155 WeakPolarHBondContact O-CB 3.49Å; K1151-Q1155 WeakPolarHBondContact O-CG 3.39Å; K1151-Q1155 PolarHBondContact O-N 3.27Å; Q1155-K1159 WeakPolarHBondContact O-CA 3.49Å; Q1155-K1159 WeakPolarHBondContact O-CB 3.19Å; Q1155-K1159 WeakPolarHBondContact O-CG 3.43Å; Q1155-K1159 PolarHBondContact O-N 3.14Å
1156K69.9Low65.5Low133 Ų13394.2 Ų94.258%0.57847%0.466SS*.Hα-helixtrans-78.7-51.3155-86-172.5167.1-161.80110.1L1152 L1158 K1159 E1160L1152-K1156 WeakPolarHBondContact O-CA 3.41Å; L1152-K1156 WeakPolarHBondContact O-CB 3.48Å; L1152-K1156 VanDerWaalsContact O-CG 3.23Å; L1152-K1156 WeakPolarHBondContact O-CG 3.37Å; L1152-K1156 PolarHBondContact O-N 2.79Å; K1156-L1158 VanDerWaalsContact C-N 3.31Å; K1156-L1158 PolarHBondContact O-N 3.26Å; K1156-K1159 CarbonylContact O-C 3.38Å; K1156-K1159 PolarHBondContact O-N 2.86Å; K1156-E1160 WeakPolarHBondContact O-CA 3.44Å; K1156-E1160 WeakPolarHBondContact O-CB 3.49Å; K1156-E1160 WeakPolarHBondContact O-CG 3.45Å; K1156-E1160 PolarHBondContact O-N 3.24Å
1157A64.9Low65.3Low39 Ų3993.5 Ų93.532%0.32246%0.462SS..Hα-helixtrans-65.6-31.5173.700000112K1153 M1161K1153-A1157 WeakPolarHBondContact O-CA 3.03Å; K1153-A1157 WeakPolarHBondContact O-CB 3.5Å; K1153-A1157 PolarHBondContact O-N 2.98Å; A1157-M1161 WeakPolarHBondContact O-CA 3.17Å; A1157-M1161 WeakPolarHBondContact O-CB 3.16Å; A1157-M1161 WeakPolarHBondContact O-CG 3.27Å; A1157-M1161 PolarHBondContact O-N 2.93Å
1158L60.5Low65.4Low79 Ų7992.9 Ų92.941%0.41446%0.462SS..Hα-helixtrans-74.5-37163.5-79.2162000112L1154 K1156 E1160 M1161 Q1162L1154-L1158 VanDerWaalsContact O-CA 3.28Å; L1154-L1158 WeakPolarHBondContact O-CA 3.29Å; L1154-L1158 WeakPolarHBondContact O-CB 3.49Å; L1154-L1158 WeakPolarHBondContact O-CD1 3.39Å; L1154-L1158 WeakPolarHBondContact O-CG 3.05Å; L1154-L1158 PolarHBondContact O-N 3.1Å; K1156-L1158 VanDerWaalsContact C-N 3.31Å; K1156-L1158 PolarHBondContact O-N 3.26Å; L1158-E1160 PolarHBondContact O-N 2.8Å; L1158-M1161 CarbonylContact O-C 3.58Å; L1158-Q1162 WeakPolarHBondContact O-CA 3.49Å; L1158-Q1162 WeakPolarHBondContact O-CB 3.42Å; L1158-Q1162 PolarHBondContact O-N 2.82Å
1159K70.2Confident65.4Low152 Ų15291.1 Ų91.166%0.66146%0.462SS*.Hα-helixtrans-73.4-15.2173.2-76.8-178.3173.5-172.90113.7Q1155 K1156 V1163Q1155-K1159 WeakPolarHBondContact O-CA 3.49Å; Q1155-K1159 WeakPolarHBondContact O-CB 3.19Å; Q1155-K1159 WeakPolarHBondContact O-CG 3.43Å; Q1155-K1159 PolarHBondContact O-N 3.14Å; K1156-K1159 CarbonylContact O-C 3.38Å; K1156-K1159 PolarHBondContact O-N 2.86Å; K1159-V1163 WeakPolarHBondContact O-CA 3.37Å; K1159-V1163 WeakPolarHBondContact O-CB 3.41Å; K1159-V1163 WeakPolarHBondContact O-CG2 3.42Å; K1159-V1163 PolarHBondContact O-N 3.4Å
1160E65.2Low65.3Low114 Ų11492 Ų9253%0.53347%0.467SS..Hα-helixtrans-92.9-36.6175.3-72.3161.2-170.600109.2K1156 L1158 Q1164K1156-E1160 WeakPolarHBondContact O-CA 3.44Å; K1156-E1160 WeakPolarHBondContact O-CB 3.49Å; K1156-E1160 WeakPolarHBondContact O-CG 3.45Å; K1156-E1160 PolarHBondContact O-N 3.24Å; L1158-E1160 PolarHBondContact O-N 2.8Å; E1160-Q1164 WeakPolarHBondContact O-CA 3.3Å; E1160-Q1164 WeakPolarHBondContact O-CB 3.19Å; E1160-Q1164 WeakPolarHBondContact O-CG 3.46Å; E1160-Q1164 PolarHBondContact O-N 3.42Å
1161M61.8Low65.1Low106 Ų10696 Ų9652%0.52248%0.48SS..Hα-helixtrans-76.2-23167-71.3-8714900113A1157 L1158 Q1164 I1165A1157-M1161 WeakPolarHBondContact O-CA 3.17Å; A1157-M1161 WeakPolarHBondContact O-CB 3.16Å; A1157-M1161 WeakPolarHBondContact O-CG 3.27Å; A1157-M1161 PolarHBondContact O-N 2.93Å; L1158-M1161 CarbonylContact O-C 3.58Å; M1161-Q1164 CarbonylContact O-C 3.54Å; M1161-I1165 WeakPolarHBondContact O-CA 3.46Å; M1161-I1165 WeakPolarHBondContact O-CB 3.31Å; M1161-I1165 VanDerWaalsContact O-CD1 3.31Å; M1161-I1165 WeakPolarHBondContact O-CD1 3.16Å; M1161-I1165 WeakPolarHBondContact O-CG1 3.12Å; M1161-I1165 PolarHBondContact O-N 3.47Å
1162Q61.8Low65.1Low85 Ų8595.5 Ų95.540%0.39748%0.483SS..Hα-helixtrans-90.9-36.2174.6-168.880.454.100108.9L1158 Q1164 I1165 D1166L1158-Q1162 WeakPolarHBondContact O-CA 3.49Å; L1158-Q1162 WeakPolarHBondContact O-CB 3.42Å; L1158-Q1162 PolarHBondContact O-N 2.82Å; Q1162-Q1164 VanDerWaalsContact C-N 3.26Å; Q1162-Q1164 PolarHBondContact O-N 2.94Å; Q1162-I1165 PolarHBondContact O-N 2.98Å; Q1162-D1166 PolarHBondContact NE2-OD1 3.21Å; Q1162-D1166 WeakPolarHBondContact O-CA 3.38Å; Q1162-D1166 WeakPolarHBondContact O-CB 3.46Å; Q1162-D1166 PolarHBondContact O-N 3.26Å
1163V70.3Confident64.8Low74 Ų7493.6 Ų93.645%0.44848%0.478SS..Hα-helixtrans-67.5-28.9162.6169.80000110.5K1159 Q1167K1159-V1163 WeakPolarHBondContact O-CA 3.37Å; K1159-V1163 WeakPolarHBondContact O-CB 3.41Å; K1159-V1163 WeakPolarHBondContact O-CG2 3.42Å; K1159-V1163 PolarHBondContact O-N 3.4Å; V1163-Q1167 HydrophobicContact CG1-CG 4.01Å; V1163-Q1167 WeakPolarHBondContact O-CA 3.49Å; V1163-Q1167 WeakPolarHBondContact O-CB 3.43Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.28Å; V1163-Q1167 PolarHBondContact O-N 3.02Å; V1163-Q1167 PolarHBondContact O-OE1 3Å
1164Q68.6Low64.8Low98 Ų9892.6 Ų92.646%0.45848%0.476SS..Hα-helixtrans-78.1-31.8169-78.6174.3-900113.2E1160 M1161 Q1162 L1168E1160-Q1164 WeakPolarHBondContact O-CA 3.3Å; E1160-Q1164 WeakPolarHBondContact O-CB 3.19Å; E1160-Q1164 WeakPolarHBondContact O-CG 3.46Å; E1160-Q1164 PolarHBondContact O-N 3.42Å; M1161-Q1164 CarbonylContact O-C 3.54Å; Q1162-Q1164 VanDerWaalsContact C-N 3.26Å; Q1162-Q1164 PolarHBondContact O-N 2.94Å; Q1164-L1168 WeakPolarHBondContact O-CA 3.24Å; Q1164-L1168 WeakPolarHBondContact O-CB 3.33Å; Q1164-L1168 WeakPolarHBondContact O-CD1 3.44Å; Q1164-L1168 WeakPolarHBondContact O-CG 3.31Å; Q1164-L1168 PolarHBondContact O-N 2.76Å
1165I63.1Low64.5Low96 Ų9692.7 Ų92.749%0.49247%0.473SS..Hα-helixtrans-77.1-30.8174.1-78.6163.2000110.4M1161 Q1162 L1168 A1169M1161-I1165 WeakPolarHBondContact O-CA 3.46Å; M1161-I1165 WeakPolarHBondContact O-CB 3.31Å; M1161-I1165 VanDerWaalsContact O-CD1 3.31Å; M1161-I1165 WeakPolarHBondContact O-CD1 3.16Å; M1161-I1165 WeakPolarHBondContact O-CG1 3.12Å; M1161-I1165 PolarHBondContact O-N 3.47Å; Q1162-I1165 PolarHBondContact O-N 2.98Å; I1165-L1168 CarbonylContact O-C 3.51Å; I1165-A1169 WeakPolarHBondContact O-CA 3.33Å; I1165-A1169 WeakPolarHBondContact O-CB 3.49Å; I1165-A1169 PolarHBondContact O-N 2.78Å
1166D68.4Low64.6Low76 Ų7695.4 Ų95.441%0.40648%0.48SS..Hα-helixtrans-84-29.9175.2-59.4-9.3000110.1Q1162 D1170Q1162-D1166 PolarHBondContact NE2-OD1 3.21Å; Q1162-D1166 WeakPolarHBondContact O-CA 3.38Å; Q1162-D1166 WeakPolarHBondContact O-CB 3.46Å; Q1162-D1166 PolarHBondContact O-N 3.26Å; D1166-D1170 WeakPolarHBondContact O-CA 3.49Å; D1166-D1170 WeakPolarHBondContact O-CB 3.41Å; D1166-D1170 PolarHBondContact O-N 2.84Å
1167Q66.5Low64.2Low106 Ų10693 Ų9350%0.49547%0.471SS..Hα-helixtrans-74.6-34165.4-77.2169.2-13.300111.7V1163 D1170 E1171V1163-Q1167 HydrophobicContact CG1-CG 4.01Å; V1163-Q1167 WeakPolarHBondContact O-CA 3.49Å; V1163-Q1167 WeakPolarHBondContact O-CB 3.43Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.28Å; V1163-Q1167 PolarHBondContact O-N 3.02Å; V1163-Q1167 PolarHBondContact O-OE1 3Å; Q1167-D1170 CarbonylContact O-C 3.35Å; Q1167-E1171 WeakPolarHBondContact O-CA 3.5Å; Q1167-E1171 WeakPolarHBondContact O-CB 3.37Å; Q1167-E1171 WeakPolarHBondContact O-CG 2.78Å; Q1167-E1171 PolarHBondContact O-N 3.39Å
1168L62.3Low64.2Low99 Ų9995.1 Ų95.152%0.51848%0.477SS..Hα-helixtrans-78.8-24.5171.7-72167.2000111.4Q1164 I1165 V1172Q1164-L1168 WeakPolarHBondContact O-CA 3.24Å; Q1164-L1168 WeakPolarHBondContact O-CB 3.33Å; Q1164-L1168 WeakPolarHBondContact O-CD1 3.44Å; Q1164-L1168 WeakPolarHBondContact O-CG 3.31Å; Q1164-L1168 PolarHBondContact O-N 2.76Å; I1165-L1168 CarbonylContact O-C 3.51Å; L1168-V1172 WeakPolarHBondContact O-CB 3.33Å; L1168-V1172 WeakPolarHBondContact O-CG2 3.16Å; L1168-V1172 PolarHBondContact O-N 2.82Å
1169A61.4Low64.4Low49 Ų4998.7 Ų98.741%0.40549%0.485SS..Hα-helixtrans-80.7-32.7170.300000110.9I1165 V1172 S1173I1165-A1169 WeakPolarHBondContact O-CA 3.33Å; I1165-A1169 WeakPolarHBondContact O-CB 3.49Å; I1165-A1169 PolarHBondContact O-N 2.78Å; A1169-V1172 CarbonylContact O-C 3.46Å; A1169-S1173 VanDerWaalsContact O-CA 3.28Å; A1169-S1173 WeakPolarHBondContact O-CA 3.39Å; A1169-S1173 WeakPolarHBondContact O-CB 3.32Å; A1169-S1173 PolarHBondContact O-N 2.77Å
1170D67.1Low64.2Low94 Ų9495.8 Ų95.850%0.50348%0.476SS..Hα-helixtrans-77.5-27.2168.3-82.9-12.1000111.4D1166 Q1167 Q1174D1166-D1170 WeakPolarHBondContact O-CA 3.49Å; D1166-D1170 WeakPolarHBondContact O-CB 3.41Å; D1166-D1170 PolarHBondContact O-N 2.84Å; Q1167-D1170 CarbonylContact O-C 3.35Å; D1170-Q1174 VanDerWaalsContact O-CA 3.29Å; D1170-Q1174 WeakPolarHBondContact O-CA 3.49Å; D1170-Q1174 WeakPolarHBondContact O-CB 3.48Å; D1170-Q1174 WeakPolarHBondContact O-CG 3.24Å; D1170-Q1174 PolarHBondContact O-N 2.81Å
1171E64.1Low64.3Low118 Ų11896.1 Ų96.155%0.55147%0.472SS*.Hα-helixtrans-76.9-34.9169.2-79.6176.1-177.800110.4Q1167 E1175Q1167-E1171 WeakPolarHBondContact O-CA 3.5Å; Q1167-E1171 WeakPolarHBondContact O-CB 3.37Å; Q1167-E1171 WeakPolarHBondContact O-CG 2.78Å; Q1167-E1171 PolarHBondContact O-N 3.39Å; E1171-E1175 WeakPolarHBondContact O-CA 3.32Å; E1171-E1175 WeakPolarHBondContact O-CB 3.37Å; E1171-E1175 PolarHBondContact O-N 2.69Å
1172V62.8Low64.6Low71 Ų7193 Ų9343%0.4346%0.464SS..Hα-helixtrans-79.4-25.1172.4169.70000112L1168 A1169 R1176L1168-V1172 WeakPolarHBondContact O-CB 3.33Å; L1168-V1172 WeakPolarHBondContact O-CG2 3.16Å; L1168-V1172 PolarHBondContact O-N 2.82Å; A1169-V1172 CarbonylContact O-C 3.46Å; V1172-R1176 WeakPolarHBondContact O-CB 3.44Å; V1172-R1176 WeakPolarHBondContact O-CG 3.45Å; V1172-R1176 PolarHBondContact O-N 3.13Å
1173S64Low64.6Low59 Ų5994.7 Ų94.741%0.41347%0.472SS..Hα-helixtrans-83.5-40.1173.7-168.20000110.2A1169 R1176 E1177A1169-S1173 VanDerWaalsContact O-CA 3.28Å; A1169-S1173 WeakPolarHBondContact O-CA 3.39Å; A1169-S1173 WeakPolarHBondContact O-CB 3.32Å; A1169-S1173 PolarHBondContact O-N 2.77Å; S1173-R1176 CarbonylContact O-C 3.47Å; S1173-R1176 PolarHBondContact O-N 3.19Å; S1173-E1177 WeakPolarHBondContact O-CA 2.98Å; S1173-E1177 VanDerWaalsContact O-CB 3.24Å; S1173-E1177 WeakPolarHBondContact O-CB 2.81Å; S1173-E1177 PolarHBondContact O-N 2.82Å
1174Q65Low64.5Low105 Ų10598.3 Ų98.349%0.49148%0.477SS..Hα-helixtrans-69.9-26.3165.6-68.3176.639.600112.1D1170 N1178D1170-Q1174 VanDerWaalsContact O-CA 3.29Å; D1170-Q1174 WeakPolarHBondContact O-CA 3.49Å; D1170-Q1174 WeakPolarHBondContact O-CB 3.48Å; D1170-Q1174 WeakPolarHBondContact O-CG 3.24Å; D1170-Q1174 PolarHBondContact O-N 2.81Å; Q1174-N1178 VanDerWaalsContact O-CA 3.31Å; Q1174-N1178 WeakPolarHBondContact O-CA 3.44Å; Q1174-N1178 WeakPolarHBondContact O-CB 3.49Å; Q1174-N1178 PolarHBondContact O-N 3.25Å; Q1174-N1178 PolarHBondContact O-ND2 3.49Å
1175E57.7Low64Low104 Ų104101.8 Ų101.849%0.48649%0.486SS..Hα-helixtrans-84.3-23.3171.2-164.7-177.7146.400111.1E1171 R1179E1171-E1175 WeakPolarHBondContact O-CA 3.32Å; E1171-E1175 WeakPolarHBondContact O-CB 3.37Å; E1171-E1175 PolarHBondContact O-N 2.69Å; E1175-R1179 WeakPolarHBondContact O-CB 3.35Å; E1175-R1179 VanDerWaalsContact O-CG 3.31Å; E1175-R1179 WeakPolarHBondContact O-CG 3.49Å; E1175-R1179 PolarHBondContact O-N 3.27Å; E1175-R1179 IonicContact OE1-CZ 2.72Å; E1175-R1179 IonicContact OE1-NH1 3.49Å; E1175-R1179 PolarHBondContact OE1-NH1 3.05Å; E1175-R1179 IonicContact OE1-NH2 2.64Å
1176R60.2Low64.2Low146 Ų146105.5 Ų105.555%0.55149%0.494SS*.Hα-helixtrans-72.9-43.1164.6-82.9177.6-169.7158.213.8112V1172 S1173 R1179 L1180V1172-R1176 WeakPolarHBondContact O-CB 3.44Å; V1172-R1176 WeakPolarHBondContact O-CG 3.45Å; V1172-R1176 PolarHBondContact O-N 3.13Å; S1173-R1176 CarbonylContact O-C 3.47Å; S1173-R1176 PolarHBondContact O-N 3.19Å; R1176-R1179 PolarHBondContact O-N 2.78Å; R1176-L1180 WeakPolarHBondContact O-CB 3.42Å; R1176-L1180 PolarHBondContact O-N 2.9Å
1177E61.6Low64.2Low84 Ų84108 Ų10839%0.39350%0.503SS..Hα-helixtrans-68.8-39.5172.4-87.2-141.290.900110.6S1173 R1179 L1180 R1181S1173-E1177 WeakPolarHBondContact O-CA 2.98Å; S1173-E1177 VanDerWaalsContact O-CB 3.24Å; S1173-E1177 WeakPolarHBondContact O-CB 2.81Å; S1173-E1177 PolarHBondContact O-N 2.82Å; E1177-R1179 VanDerWaalsContact C-N 3.34Å; E1177-L1180 CarbonylContact O-C 3.54Å; E1177-L1180 PolarHBondContact O-N 3.17Å; E1177-R1181 VanDerWaalsContact CD-CZ 3.46Å; E1177-R1181 WeakPolarHBondContact O-CA 3.47Å; E1177-R1181 WeakPolarHBondContact O-CB 3.4Å; E1177-R1181 WeakPolarHBondContact O-CD 2.92Å; E1177-R1181 WeakPolarHBondContact O-CG 3.43Å; E1177-R1181 PolarHBondContact O-N 2.74Å; E1177-R1181 IonicContact OE1-CZ 2.8Å; E1177-R1181 IonicContact OE1-NE 3.73Å; E1177-R1181 PolarHBondContact OE1-NE 3.02Å; E1177-R1181 IonicContact OE1-NH2 3.69Å; E1177-R1181 PolarHBondContact OE1-NH2 3.41Å; E1177-R1181 IonicContact OE2-CZ 3.45Å; E1177-R1181 IonicContact OE2-NE 3.26Å; E1177-R1181 IonicContact OE2-NH2 2.7Å; E1177-R1181 PolarHBondContact OE2-NH2 3.13Å
1178N65.4Low63.9Low83 Ų83107.4 Ų107.444%0.44450%0.5SS..Hα-helixtrans-74.8-24.4175.2-68.3-31.4000111.2Q1174 A1182Q1174-N1178 VanDerWaalsContact O-CA 3.31Å; Q1174-N1178 WeakPolarHBondContact O-CA 3.44Å; Q1174-N1178 WeakPolarHBondContact O-CB 3.49Å; Q1174-N1178 PolarHBondContact O-N 3.25Å; Q1174-N1178 PolarHBondContact O-ND2 3.49Å; N1178-A1182 WeakPolarHBondContact O-CA 3.49Å; N1178-A1182 WeakPolarHBondContact O-CB 3.2Å; N1178-A1182 PolarHBondContact O-N 2.77Å
1179R65.4Low63.6Low154 Ų154107.1 Ų107.158%0.58150%0.499SS*.Hα-helixtrans-67.8-54.3161.7-87.1-171.816793.13.2110.9E1175 R1176 E1177 R1181 A1182 E1183E1175-R1179 WeakPolarHBondContact O-CB 3.35Å; E1175-R1179 VanDerWaalsContact O-CG 3.31Å; E1175-R1179 WeakPolarHBondContact O-CG 3.49Å; E1175-R1179 PolarHBondContact O-N 3.27Å; E1175-R1179 IonicContact OE1-CZ 2.72Å; E1175-R1179 IonicContact OE1-NH1 3.49Å; E1175-R1179 PolarHBondContact OE1-NH1 3.05Å; E1175-R1179 IonicContact OE1-NH2 2.64Å; R1176-R1179 PolarHBondContact O-N 2.78Å; E1177-R1179 VanDerWaalsContact C-N 3.34Å; R1179-R1181 PolarHBondContact O-N 3.16Å; R1179-A1182 CarbonylContact O-C 2.89Å; R1179-A1182 PolarHBondContact O-N 2.58Å; R1179-E1183 WeakPolarHBondContact O-CB 3.42Å; R1179-E1183 PolarHBondContact O-N 2.89Å
1180L65.7Low63.8Low91 Ų91110.3 Ų110.348%0.47651%0.505SS..Hα-helixtrans-61.5-30.6178.5-103.3135.1000113R1176 E1177 R1184R1176-L1180 WeakPolarHBondContact O-CB 3.42Å; R1176-L1180 PolarHBondContact O-N 2.9Å; E1177-L1180 CarbonylContact O-C 3.54Å; E1177-L1180 PolarHBondContact O-N 3.17Å; L1180-R1184 WeakPolarHBondContact O-CA 3.39Å; L1180-R1184 WeakPolarHBondContact O-CB 2.97Å; L1180-R1184 WeakPolarHBondContact O-CG 2.93Å; L1180-R1184 PolarHBondContact O-N 3.38Å
1181R67Low63.8Low120 Ų120110.5 Ų110.545%0.45351%0.506SS..Hα-helixtrans-87.3-11.1174-64.6164.1-175.8-171.7-2.3112.3E1177 R1179 R1185E1177-R1181 VanDerWaalsContact CD-CZ 3.46Å; E1177-R1181 WeakPolarHBondContact O-CA 3.47Å; E1177-R1181 WeakPolarHBondContact O-CB 3.4Å; E1177-R1181 WeakPolarHBondContact O-CD 2.92Å; E1177-R1181 WeakPolarHBondContact O-CG 3.43Å; E1177-R1181 PolarHBondContact O-N 2.74Å; E1177-R1181 IonicContact OE1-CZ 2.8Å; E1177-R1181 IonicContact OE1-NE 3.73Å; E1177-R1181 PolarHBondContact OE1-NE 3.02Å; E1177-R1181 IonicContact OE1-NH2 3.69Å; E1177-R1181 PolarHBondContact OE1-NH2 3.41Å; E1177-R1181 IonicContact OE2-CZ 3.45Å; E1177-R1181 IonicContact OE2-NE 3.26Å; E1177-R1181 IonicContact OE2-NH2 2.7Å; E1177-R1181 PolarHBondContact OE2-NH2 3.13Å; R1179-R1181 PolarHBondContact O-N 3.16Å; R1181-R1185 WeakPolarHBondContact O-CA 3.37Å; R1181-R1185 WeakPolarHBondContact O-CB 3.09Å; R1181-R1185 WeakPolarHBondContact O-CG 3.41Å; R1181-R1185 PolarHBondContact O-N 3.02Å
1182A67.8Low63.4Low42 Ų42109.2 Ų109.235%0.34750%0.5SS..Hα-helixtrans-1110.7170.300000113.6N1178 R1179 R1186N1178-A1182 WeakPolarHBondContact O-CA 3.49Å; N1178-A1182 WeakPolarHBondContact O-CB 3.2Å; N1178-A1182 PolarHBondContact O-N 2.77Å; R1179-A1182 CarbonylContact O-C 2.89Å; R1179-A1182 PolarHBondContact O-N 2.58Å; A1182-R1186 WeakPolarHBondContact O-CB 3.47Å; A1182-R1186 PolarHBondContact O-N 3.45Å; A1182-R1186 PolarHBondContact O-NE 3.01Å
1183E62.8Low63.4Low120 Ų120111.5 Ų111.556%0.56151%0.509SS*.Hα-helixtrans-95.2-48157.4-74179.8133.300108.2R1179 R1186 Q1187R1179-E1183 WeakPolarHBondContact O-CB 3.42Å; R1179-E1183 PolarHBondContact O-N 2.89Å; E1183-R1186 CarbonylContact O-C 3.45Å; E1183-R1186 WeakPolarHBondContact O-CA 2.97Å; E1183-R1186 PolarHBondContact O-N 2.76Å; E1183-Q1187 WeakPolarHBondContact O-CB 3.42Å; E1183-Q1187 PolarHBondContact O-N 2.77Å
1184R67.7Low63.4Low150 Ų150114.5 Ų114.557%0.56652%0.517SS*.Hα-helixtrans-58.5-52.8164.5-72.6176.2-171.6174.83.7110.8L1180 R1186 Q1187 E1188L1180-R1184 WeakPolarHBondContact O-CA 3.39Å; L1180-R1184 WeakPolarHBondContact O-CB 2.97Å; L1180-R1184 WeakPolarHBondContact O-CG 2.93Å; L1180-R1184 PolarHBondContact O-N 3.38Å; R1184-R1186 PolarHBondContact O-N 3.26Å; R1184-R1186 VanDerWaalsContact O-N 3.08Å; R1184-Q1187 CarbonylContact O-C 3.4Å; R1184-Q1187 PolarHBondContact O-N 2.86Å; R1184-E1188 VanDerWaalsContact C-OE2 3.27Å; R1184-E1188 VanDerWaalsContact O-CB 3.25Å; R1184-E1188 WeakPolarHBondContact O-CB 3.44Å; R1184-E1188 VanDerWaalsContact O-CG 3.23Å; R1184-E1188 WeakPolarHBondContact O-CG 3.37Å; R1184-E1188 PolarHBondContact O-N 2.93Å
1185R57.9Low63.3Low170 Ų170114.8 Ų114.864%0.64252%0.518SS*.Hα-helixtrans-64.2-13.5170.3-73.6178.6154145.6-3.2115R1181 E1188 L1189R1181-R1185 WeakPolarHBondContact O-CA 3.37Å; R1181-R1185 WeakPolarHBondContact O-CB 3.09Å; R1181-R1185 WeakPolarHBondContact O-CG 3.41Å; R1181-R1185 PolarHBondContact O-N 3.02Å; R1185-E1188 WeakPolarHBondContact CA-OE2 3.31Å; R1185-E1188 WeakPolarHBondContact CG-OE2 3.33Å; R1185-E1188 PolarHBondContact N-OE2 3.1Å; R1185-L1189 WeakPolarHBondContact O-CA 3.09Å; R1185-L1189 WeakPolarHBondContact O-CB 3.05Å; R1185-L1189 VanDerWaalsContact O-CD1 3.23Å; R1185-L1189 WeakPolarHBondContact O-CD1 3.2Å; R1185-L1189 WeakPolarHBondContact O-CG 3.3Å; R1185-L1189 PolarHBondContact O-N 2.79Å
1186R68.5Low63.3Low174 Ų174114.5 Ų114.566%0.65752%0.519SS*.Hα-helixtrans-81.1-34.5167.8-118.3175.7-73.2-155.5-4.7112.4A1182 E1183 R1184 Q1190A1182-R1186 WeakPolarHBondContact O-CB 3.47Å; A1182-R1186 PolarHBondContact O-N 3.45Å; A1182-R1186 PolarHBondContact O-NE 3.01Å; E1183-R1186 CarbonylContact O-C 3.45Å; E1183-R1186 WeakPolarHBondContact O-CA 2.97Å; E1183-R1186 PolarHBondContact O-N 2.76Å; R1184-R1186 PolarHBondContact O-N 3.26Å; R1184-R1186 VanDerWaalsContact O-N 3.08Å; R1186-Q1190 WeakPolarHBondContact O-CB 3.26Å; R1186-Q1190 PolarHBondContact O-N 2.64Å
1187Q67.5Low63.3Low130 Ų130110.3 Ų110.361%0.60752%0.516SS*.Hα-helixtrans-80.9-36179.9-149.9158.314.700110.7E1183 R1184 Q1190 N1191E1183-Q1187 WeakPolarHBondContact O-CB 3.42Å; E1183-Q1187 PolarHBondContact O-N 2.77Å; R1184-Q1187 CarbonylContact O-C 3.4Å; R1184-Q1187 PolarHBondContact O-N 2.86Å; Q1187-Q1190 PolarHBondContact O-N 2.92Å; Q1187-N1191 VanDerWaalsContact O-CB 3.27Å; Q1187-N1191 WeakPolarHBondContact O-CB 3.17Å; Q1187-N1191 PolarHBondContact O-N 2.66Å; Q1187-N1191 PolarHBondContact O-OD1 3.22Å
1188E59.8Low63.3Low92 Ų92113.2 Ų113.243%0.4353%0.529SS..Hα-helixtrans-67.5-48.7164.9-61.9156173.200109.9R1184 R1185 Q1190 N1191 E1192R1184-E1188 VanDerWaalsContact C-OE2 3.27Å; R1184-E1188 VanDerWaalsContact O-CB 3.25Å; R1184-E1188 WeakPolarHBondContact O-CB 3.44Å; R1184-E1188 VanDerWaalsContact O-CG 3.23Å; R1184-E1188 WeakPolarHBondContact O-CG 3.37Å; R1184-E1188 PolarHBondContact O-N 2.93Å; R1185-E1188 WeakPolarHBondContact CA-OE2 3.31Å; R1185-E1188 WeakPolarHBondContact CG-OE2 3.33Å; R1185-E1188 PolarHBondContact N-OE2 3.1Å; E1188-Q1190 PolarHBondContact O-N 3.02Å; E1188-N1191 PolarHBondContact O-N 3.27Å; E1188-E1192 WeakPolarHBondContact O-CA 3.36Å; E1188-E1192 WeakPolarHBondContact O-CB 3.41Å; E1188-E1192 WeakPolarHBondContact O-CG 3.49Å; E1188-E1192 PolarHBondContact O-N 3.11Å
1189L56.5Low62.9Low94 Ų94114.1 Ų114.149%0.49253%0.531SS..Hα-helixtrans-66.8-20.4173.3-74.3165.7000113.6R1185 E1192 L1193R1185-L1189 WeakPolarHBondContact O-CA 3.09Å; R1185-L1189 WeakPolarHBondContact O-CB 3.05Å; R1185-L1189 VanDerWaalsContact O-CD1 3.23Å; R1185-L1189 WeakPolarHBondContact O-CD1 3.2Å; R1185-L1189 WeakPolarHBondContact O-CG 3.3Å; R1185-L1189 PolarHBondContact O-N 2.79Å; L1189-E1192 WeakPolarHBondContact CD2-OE2 3.31Å; L1189-L1193 WeakPolarHBondContact O-CB 3.32Å; L1189-L1193 WeakPolarHBondContact O-CD1 3.24Å; L1189-L1193 WeakPolarHBondContact O-CG 3.28Å; L1189-L1193 PolarHBondContact O-N 2.66Å
1190Q65.7Low62.3Low115 Ų115109.4 Ų109.454%0.53753%0.525SS..Hα-helixtrans-82.3-42.7174.7-177.2169.8-14.100110.8R1186 Q1187 E1188 L1193 E1194R1186-Q1190 WeakPolarHBondContact O-CB 3.26Å; R1186-Q1190 PolarHBondContact O-N 2.64Å; Q1187-Q1190 PolarHBondContact O-N 2.92Å; E1188-Q1190 PolarHBondContact O-N 3.02Å; Q1190-L1193 WeakPolarHBondContact O-CB 3.36Å; Q1190-L1193 PolarHBondContact O-N 3.15Å; Q1190-L1193 VanDerWaalsContact O-N 3.14Å; Q1190-E1194 PolarHBondContact O-N 2.8Å
1191N66.2Low61.8Low98 Ų98111.9 Ų111.952%0.52454%0.538SS..Hα-helixtrans-65-41.5170.5-67.70.7000111Q1187 E1188 L1193 E1194 E1195Q1187-N1191 VanDerWaalsContact O-CB 3.27Å; Q1187-N1191 WeakPolarHBondContact O-CB 3.17Å; Q1187-N1191 PolarHBondContact O-N 2.66Å; Q1187-N1191 PolarHBondContact O-OD1 3.22Å; E1188-N1191 PolarHBondContact O-N 3.27Å; N1191-L1193 VanDerWaalsContact C-N 3.3Å; N1191-L1193 PolarHBondContact O-N 3.38Å; N1191-E1194 PolarHBondContact O-N 3.29Å; N1191-E1195 VanDerWaalsContact O-CB 3.22Å; N1191-E1195 WeakPolarHBondContact O-CB 3.25Å; N1191-E1195 PolarHBondContact O-N 3.43Å
1192E56.6Low61.1Low91 Ų91113.2 Ų113.243%0.42555%0.55SS.*Hα-helixtrans-66.9-27.3170.5-72.1174.7175.700110.9E1188 L1189 I1196E1188-E1192 WeakPolarHBondContact O-CA 3.36Å; E1188-E1192 WeakPolarHBondContact O-CB 3.41Å; E1188-E1192 WeakPolarHBondContact O-CG 3.49Å; E1188-E1192 PolarHBondContact O-N 3.11Å; L1189-E1192 WeakPolarHBondContact CD2-OE2 3.31Å; E1192-I1196 HydrophobicContact CB-CD1 4.33Å; E1192-I1196 WeakPolarHBondContact O-CA 3.33Å; E1192-I1196 WeakPolarHBondContact O-CB 3.49Å; E1192-I1196 WeakPolarHBondContact O-CD1 3.39Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.31Å; E1192-I1196 PolarHBondContact O-N 3.41Å
1193L62.4Low60.4Low119 Ų119113.5 Ų113.562%0.62355%0.552SS**Hα-helixtrans-73.6-35.2171.2-91.5165.9000111.9L1189 Q1190 N1191 A1197L1189-L1193 WeakPolarHBondContact O-CB 3.32Å; L1189-L1193 WeakPolarHBondContact O-CD1 3.24Å; L1189-L1193 WeakPolarHBondContact O-CG 3.28Å; L1189-L1193 PolarHBondContact O-N 2.66Å; Q1190-L1193 WeakPolarHBondContact O-CB 3.36Å; Q1190-L1193 PolarHBondContact O-N 3.15Å; Q1190-L1193 VanDerWaalsContact O-N 3.14Å; N1191-L1193 VanDerWaalsContact C-N 3.3Å; N1191-L1193 PolarHBondContact O-N 3.38Å; L1193-A1197 WeakPolarHBondContact O-CB 3.35Å; L1193-A1197 PolarHBondContact O-N 3.18Å
1194E63.4Low59.8Low123 Ų123111.3 Ų111.358%0.57555%0.554SS**Hα-helixtrans-72-40.1172.7-70.7176.3-167.400110.9Q1190 N1191 A1197 Q1198Q1190-E1194 PolarHBondContact O-N 2.8Å; N1191-E1194 PolarHBondContact O-N 3.29Å; E1194-A1197 PolarHBondContact O-N 3.32Å; E1194-Q1198 WeakPolarHBondContact O-CB 3.36Å; E1194-Q1198 PolarHBondContact O-N 3.4Å
1195E63.4Low59.2Low111 Ų111107.1 Ų107.152%0.51956%0.558SS.*Hα-helixtrans-74.1-33.4176.5-167.1171-144.700112.4N1191 Q1198 Q1199N1191-E1195 VanDerWaalsContact O-CB 3.22Å; N1191-E1195 WeakPolarHBondContact O-CB 3.25Å; N1191-E1195 PolarHBondContact O-N 3.43Å; E1195-Q1198 PolarHBondContact O-N 3.5Å; E1195-Q1199 WeakPolarHBondContact O-CB 3.25Å; E1195-Q1199 VanDerWaalsContact O-CG 3.25Å; E1195-Q1199 WeakPolarHBondContact O-CG 3.36Å; E1195-Q1199 PolarHBondContact O-N 3.22Å
1196I58.4Low58.7Low98 Ų98101.4 Ų101.450%0.50355%0.548SS..Hα-helixtrans-76.2-29.5170.3-68.9165.5000111E1192 Q1198 Q1199 A1200E1192-I1196 HydrophobicContact CB-CD1 4.33Å; E1192-I1196 WeakPolarHBondContact O-CA 3.33Å; E1192-I1196 WeakPolarHBondContact O-CB 3.49Å; E1192-I1196 WeakPolarHBondContact O-CD1 3.39Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.31Å; E1192-I1196 PolarHBondContact O-N 3.41Å; I1196-Q1198 VanDerWaalsContact C-N 3.34Å; I1196-Q1199 CarbonylContact O-C 3.44Å; I1196-A1200 WeakPolarHBondContact O-CA 2.96Å; I1196-A1200 WeakPolarHBondContact O-CB 3.25Å; I1196-A1200 PolarHBondContact O-N 3.39Å
1197A60.2Low58Low58 Ų5897.3 Ų97.348%0.47954%0.542SS..Hα-helixtrans-63.7-43.6167.600000110.4L1193 E1194 A1200 D1201L1193-A1197 WeakPolarHBondContact O-CB 3.35Å; L1193-A1197 PolarHBondContact O-N 3.18Å; E1194-A1197 PolarHBondContact O-N 3.32Å; A1197-A1200 WeakPolarHBondContact O-CB 3.45Å; A1197-A1200 PolarHBondContact O-N 3.19Å; A1197-D1201 PolarHBondContact O-N 3.06Å
1198Q60.7Low57.2Low144 Ų14499.6 Ų99.667%0.67355%0.552SS**Hα-helixtrans-67.6-39.8176.8-158.4161.314.700112.2E1194 E1195 I1196 A1200 E1202E1194-Q1198 WeakPolarHBondContact O-CB 3.36Å; E1194-Q1198 PolarHBondContact O-N 3.4Å; E1195-Q1198 PolarHBondContact O-N 3.5Å; I1196-Q1198 VanDerWaalsContact C-N 3.34Å; Q1198-A1200 VanDerWaalsContact C-N 3.33Å; Q1198-E1202 PolarHBondContact O-N 3.38Å
1199Q58.1Low56.7Low103 Ų10398.4 Ų98.448%0.48156%0.559SS.*Hα-helixtrans-73.6-17.8171.9-70.9175.924.200113.4E1195 I1196 E1202 A1203E1195-Q1199 WeakPolarHBondContact O-CB 3.25Å; E1195-Q1199 VanDerWaalsContact O-CG 3.25Å; E1195-Q1199 WeakPolarHBondContact O-CG 3.36Å; E1195-Q1199 PolarHBondContact O-N 3.22Å; I1196-Q1199 CarbonylContact O-C 3.44Å; Q1199-E1202 PolarHBondContact O-N 3.3Å; Q1199-A1203 WeakPolarHBondContact O-CB 3.22Å; Q1199-A1203 PolarHBondContact O-N 3.43Å
1200A52.4Low56.4Low55 Ų5599 Ų9946%0.45556%0.559SS.*Hα-helixtrans-73.2-39.2174.300000111.3I1196 A1197 Q1198 E1202 A1203 A1204I1196-A1200 WeakPolarHBondContact O-CA 2.96Å; I1196-A1200 WeakPolarHBondContact O-CB 3.25Å; I1196-A1200 PolarHBondContact O-N 3.39Å; A1197-A1200 WeakPolarHBondContact O-CB 3.45Å; A1197-A1200 PolarHBondContact O-N 3.19Å; Q1198-A1200 VanDerWaalsContact C-N 3.33Å; A1200-E1202 VanDerWaalsContact C-N 3.3Å; A1200-E1202 PolarHBondContact O-N 3.08Å; A1200-A1203 PolarHBondContact O-N 2.89Å; A1200-A1204 PolarHBondContact O-N 2.67Å; A1200-A1204 VanDerWaalsContact O-N 3.09Å
1201D54.3Low55.9Low142 Ų14298.4 Ų98.476%0.75956%0.563SS**Hα-helixtrans-63.7-34.5170.6-82.2-22.6000111.7A1197A1197-D1201 PolarHBondContact O-N 3.06Å
1202E52.8Low55.4Low149 Ų149101.2 Ų101.270%0.69657%0.573SS**Hα-helixtrans-75.7-39172.4-64.5-166149.100113.1Q1198 Q1199 A1200 A1204 G1205Q1198-E1202 PolarHBondContact O-N 3.38Å; Q1199-E1202 PolarHBondContact O-N 3.3Å; A1200-E1202 VanDerWaalsContact C-N 3.3Å; A1200-E1202 PolarHBondContact O-N 3.08Å; E1202-A1204 PolarHBondContact O-N 3.12Å; E1202-G1205 PolarHBondContact O-N 3.31Å
1203A53.5Low55.2Low48 Ų48101 Ų10140%0.39757%0.574SS.*Hα-helixtrans-67.2-21.8179.700000113.2Q1199 A1200 G1205 A1206 T1207Q1199-A1203 WeakPolarHBondContact O-CB 3.22Å; Q1199-A1203 PolarHBondContact O-N 3.43Å; A1200-A1203 PolarHBondContact O-N 2.89Å; A1203-G1205 PolarHBondContact O-N 2.72Å; A1203-A1206 PolarHBondContact O-N 3.47Å; A1203-T1207 PolarHBondContact O-N 3.32Å; A1203-T1207 PolarHBondContact O-OG1 3.08Å
1204A49.9Very low54.5Low73 Ų7399.2 Ų99.260%0.60357%0.565SS**Hα-helixtrans-51.7-35.116800000112A1200 E1202A1200-A1204 PolarHBondContact O-N 2.67Å; A1200-A1204 VanDerWaalsContact O-N 3.09Å; E1202-A1204 PolarHBondContact O-N 3.12Å
1205G55.7Low54.3Low63 Ų63100.9 Ų100.965%0.64957%0.571SS**Hα-helixtrans-76.5-30.1173.400000114.8E1202 A1203E1202-G1205 PolarHBondContact O-N 3.31Å; A1203-G1205 PolarHBondContact O-N 2.72Å
1206A47Very low53.9Low50 Ų50102.5 Ų102.541%0.41358%0.576SS.*Hα-helixtrans-76-27.5-177.100000113.6A1203 Q1208 A1209 Q1210A1203-A1206 PolarHBondContact O-N 3.47Å; A1206-Q1208 PolarHBondContact O-N 2.98Å; A1206-A1209 PolarHBondContact O-N 2.89Å; A1206-Q1210 PolarHBondContact O-N 3.29Å
1207T52.6Low53.8Low88 Ų88104.1 Ų104.154%0.5458%0.576SS.*Hα-helixtrans-52.6-33.8-174-51.10000113.4A1203 Q1210A1203-T1207 PolarHBondContact O-N 3.32Å; A1203-T1207 PolarHBondContact O-OG1 3.08Å; T1207-Q1210 PolarHBondContact O-N 3.32Å
1208Q50.9Low53.5Low177 Ų177108.2 Ų108.283%0.82759%0.585SS**Hα-helixtrans-72-28-178.7-162.2168.31100113.5A1206A1206-Q1208 PolarHBondContact O-N 2.98Å
1209A49Very low53.7Low68 Ų68107.4 Ų107.456%0.56259%0.585SS**Hα-helixtrans-80.3-27.8173.900000112.5A1206 V1211 E1212 L1213A1206-A1209 PolarHBondContact O-N 2.89Å; A1209-V1211 PolarHBondContact O-N 3.21Å; A1209-E1212 PolarHBondContact O-N 3.42Å; A1209-L1213 PolarHBondContact O-N 3.46Å
1210Q51.2Low53.8Low105 Ų105107.7 Ų107.749%0.49159%0.586SS.*Hα-helixtrans-66.9-23.6-175-159.3140.5-34.300113.3A1206 T1207 L1213 N1214A1206-Q1210 PolarHBondContact O-N 3.29Å; T1207-Q1210 PolarHBondContact O-N 3.32Å; Q1210-L1213 PolarHBondContact O-N 2.87Å; Q1210-N1214 PolarHBondContact O-N 2.9Å; Q1210-N1214 VanDerWaalsContact O-N 3.09Å
1211V55Low53.9Low103 Ų103109.7 Ų109.762%0.62459%0.588SS**Hα-helixtrans-67-38.5175.3-179.70000112.1A1209A1209-V1211 PolarHBondContact O-N 3.21Å
1212E55.7Low54.4Low157 Ų157105.4 Ų105.473%0.73457%0.572SS**Hα-helixtrans-74.5-34.8173.9-64.9-153.4132.700112A1209 N1214 K1215 K1216A1209-E1212 PolarHBondContact O-N 3.42Å; E1212-N1214 VanDerWaalsContact C-N 3.26Å; E1212-N1214 PolarHBondContact O-N 3.08Å; E1212-K1215 PolarHBondContact O-N 3.41Å; E1212-K1215 VanDerWaalsContact O-N 3.11Å; E1212-K1216 PolarHBondContact O-N 2.83Å
1213L52Low54.9Low88 Ų88104.1 Ų104.146%0.46156%0.564SS.*Hα-helixtrans-64.1-32.1178.4-148.5154.1000111.5A1209 Q1210 K1215 K1216 R1217A1209-L1213 PolarHBondContact O-N 3.46Å; Q1210-L1213 PolarHBondContact O-N 2.87Å; L1213-K1215 PolarHBondContact O-N 2.6Å; L1213-K1216 WeakPolarHBondContact O-CB 3.27Å; L1213-K1216 PolarHBondContact O-N 2.86Å; L1213-K1216 VanDerWaalsContact O-N 3.14Å; L1213-R1217 HydrophobicContact CD2-CG 4.28Å; L1213-R1217 PolarHBondContact O-N 3.31Å
1214N48.8Very low54.9Low80 Ų80106.7 Ų106.743%0.42857%0.571SS.*Hα-helixtrans-64.3-33.6172.6-76.1-21.5000113.7Q1210 E1212 K1216 R1217 E1218Q1210-N1214 PolarHBondContact O-N 2.9Å; Q1210-N1214 VanDerWaalsContact O-N 3.09Å; E1212-N1214 VanDerWaalsContact C-N 3.26Å; E1212-N1214 PolarHBondContact O-N 3.08Å; N1214-K1216 VanDerWaalsContact C-N 3.31Å; N1214-K1216 PolarHBondContact O-N 3Å; N1214-R1217 WeakPolarHBondContact O-CB 3.34Å; N1214-R1217 PolarHBondContact O-N 3.38Å; N1214-R1217 VanDerWaalsContact O-N 3.16Å; N1214-E1218 PolarHBondContact O-N 3Å
1215K58.4Low55.4Low158 Ų158109.8 Ų109.869%0.68757%0.571SS**Hα-helixtrans-67.3-31.4171.6-77-177.8176.2174.30112.7E1212 L1213E1212-K1215 PolarHBondContact O-N 3.41Å; E1212-K1215 VanDerWaalsContact O-N 3.11Å; L1213-K1215 PolarHBondContact O-N 2.6Å
1216K54.8Low56.1Low146 Ų146115.3 Ų115.364%0.63557%0.572SS**Hα-helixtrans-69.3-39.3168.9-77.7-175.9176.7176.30111.4E1212 L1213 N1214 E1218 L1219 E1220E1212-K1216 PolarHBondContact O-N 2.83Å; L1213-K1216 WeakPolarHBondContact O-CB 3.27Å; L1213-K1216 PolarHBondContact O-N 2.86Å; L1213-K1216 VanDerWaalsContact O-N 3.14Å; N1214-K1216 VanDerWaalsContact C-N 3.31Å; N1214-K1216 PolarHBondContact O-N 3Å; K1216-E1218 VanDerWaalsContact C-N 3.34Å; K1216-E1218 PolarHBondContact O-N 3.13Å; K1216-L1219 CarbonylContact O-C 3.43Å; K1216-L1219 PolarHBondContact O-N 2.94Å; K1216-L1219 VanDerWaalsContact O-N 3.13Å; K1216-E1220 PolarHBondContact O-N 2.66Å
1217R56.3Low56.8Low132 Ų132116.8 Ų116.850%0.49857%0.57SS.*Hα-helixtrans-61.7-34.5175.6-76.8177.5165.1175.8-5.9113.7L1213 N1214 E1220 I1221L1213-R1217 HydrophobicContact CD2-CG 4.28Å; L1213-R1217 PolarHBondContact O-N 3.31Å; N1214-R1217 WeakPolarHBondContact O-CB 3.34Å; N1214-R1217 PolarHBondContact O-N 3.38Å; N1214-R1217 VanDerWaalsContact O-N 3.16Å; R1217-E1220 PolarHBondContact O-N 3.44Å; R1217-I1221 WeakPolarHBondContact O-CB 3.18Å; R1217-I1221 WeakPolarHBondContact O-CD1 3.33Å; R1217-I1221 WeakPolarHBondContact O-CG1 3.42Å; R1217-I1221 PolarHBondContact O-N 2.78Å
1218E54Low57Low144 Ų144118.5 Ų118.567%0.67357%0.572SS**Hα-helixtrans-65.5-40.3172.6-70-173.6145.700112.3N1214 K1216 I1221 A1222N1214-E1218 PolarHBondContact O-N 3Å; K1216-E1218 VanDerWaalsContact C-N 3.34Å; K1216-E1218 PolarHBondContact O-N 3.13Å; E1218-I1221 PolarHBondContact O-N 2.9Å; E1218-A1222 PolarHBondContact O-N 3.4Å
1219L65.2Low57.6Low127 Ų127115.9 Ų115.967%0.66556%0.56SS**Hα-helixtrans-70.2-35.2174.1-80.9164.6000112.7K1216 A1222 K1223K1216-L1219 CarbonylContact O-C 3.43Å; K1216-L1219 PolarHBondContact O-N 2.94Å; K1216-L1219 VanDerWaalsContact O-N 3.13Å; L1219-A1222 PolarHBondContact O-N 2.83Å; L1219-K1223 WeakPolarHBondContact O-CB 3.1Å; L1219-K1223 PolarHBondContact O-N 3.06Å
1220E60.1Low58.6Low109 Ų109119.1 Ų119.151%0.50956%0.563SS.*Hα-helixtrans-71-33.9172.2-74.8179.4146.800111.6K1216 R1217 A1222 K1223 L1224K1216-E1220 PolarHBondContact O-N 2.66Å; R1217-E1220 PolarHBondContact O-N 3.44Å; E1220-A1222 VanDerWaalsContact C-N 3.34Å; E1220-K1223 CarbonylContact O-C 3.58Å; E1220-K1223 PolarHBondContact O-N 2.62Å; E1220-L1224 WeakPolarHBondContact O-CA 3.23Å; E1220-L1224 WeakPolarHBondContact O-CB 3.38Å; E1220-L1224 WeakPolarHBondContact O-CG 3.29Å; E1220-L1224 PolarHBondContact O-N 2.99Å
1221I54.9Low59.1Low96 Ų96116.6 Ų116.649%0.49256%0.56SS.*Hα-helixtrans-67.9-35.6171.2-72.8163.5000110.5R1217 E1218 K1225R1217-I1221 WeakPolarHBondContact O-CB 3.18Å; R1217-I1221 WeakPolarHBondContact O-CD1 3.33Å; R1217-I1221 WeakPolarHBondContact O-CG1 3.42Å; R1217-I1221 PolarHBondContact O-N 2.78Å; E1218-I1221 PolarHBondContact O-N 2.9Å; I1221-K1225 WeakPolarHBondContact O-CB 3.41Å; I1221-K1225 VanDerWaalsContact O-CG 3.29Å; I1221-K1225 WeakPolarHBondContact O-CG 3.47Å; I1221-K1225 PolarHBondContact O-N 2.87Å
1222A64.2Low59Low52 Ų52115.8 Ų115.843%0.4355%0.552SS.*Hα-helixtrans-68.3-37171.300000112.7E1218 L1219 E1220 R1226E1218-A1222 PolarHBondContact O-N 3.4Å; L1219-A1222 PolarHBondContact O-N 2.83Å; E1220-A1222 VanDerWaalsContact C-N 3.34Å; A1222-R1226 PolarHBondContact O-N 2.98Å
1223K64.3Low59.7Low123 Ų123114.4 Ų114.454%0.53555%0.547SS..Hα-helixtrans-74.4-39.7177.1-170.8168.8178.2-74.70112.3L1219 E1220 K1225 R1226 E1227L1219-K1223 WeakPolarHBondContact O-CB 3.1Å; L1219-K1223 PolarHBondContact O-N 3.06Å; E1220-K1223 CarbonylContact O-C 3.58Å; E1220-K1223 PolarHBondContact O-N 2.62Å; K1223-K1225 VanDerWaalsContact C-N 3.34Å; K1223-R1226 CarbonylContact O-C 3.14Å; K1223-R1226 WeakPolarHBondContact O-CA 2.91Å; K1223-R1226 WeakPolarHBondContact O-CB 3.06Å; K1223-R1226 PolarHBondContact O-N 3.31Å; K1223-R1226 VanDerWaalsContact O-N 3.15Å; K1223-E1227 WeakPolarHBondContact CE-OE1 3.19Å; K1223-E1227 IonicContact NZ-OE1 2.58Å; K1223-E1227 PolarHBondContact NZ-OE1 2.94Å; K1223-E1227 IonicContact NZ-OE2 3.98Å; K1223-E1227 WeakPolarHBondContact O-CG 3.2Å; K1223-E1227 PolarHBondContact O-N 2.86Å
1224L52.5Low60.5Low102 Ų102112.5 Ų112.553%0.53454%0.541SS..Hα-helixtrans-68.9-29.3172.2-73.1168.4000111.8E1220 H1228E1220-L1224 WeakPolarHBondContact O-CA 3.23Å; E1220-L1224 WeakPolarHBondContact O-CB 3.38Å; E1220-L1224 WeakPolarHBondContact O-CG 3.29Å; E1220-L1224 PolarHBondContact O-N 2.99Å; L1224-H1228 WeakPolarHBondContact O-CA 3.16Å; L1224-H1228 WeakPolarHBondContact O-CB 3.45Å; L1224-H1228 PolarHBondContact O-N 2.87Å
1225K61.1Low60.7Low138 Ų138111.1 Ų111.160%0.654%0.538SS*.Hα-helixtrans-63.8-44.3166.2-82.3179.9179.8-173.70111.3I1221 K1223 H1228 E1229I1221-K1225 WeakPolarHBondContact O-CB 3.41Å; I1221-K1225 VanDerWaalsContact O-CG 3.29Å; I1221-K1225 WeakPolarHBondContact O-CG 3.47Å; I1221-K1225 PolarHBondContact O-N 2.87Å; K1223-K1225 VanDerWaalsContact C-N 3.34Å; K1225-H1228 PolarHBondContact O-N 3.43Å; K1225-E1229 WeakPolarHBondContact O-CB 3.28Å; K1225-E1229 VanDerWaalsContact O-CG 3.29Å; K1225-E1229 WeakPolarHBondContact O-CG 3Å; K1225-E1229 PolarHBondContact O-N 3.4Å
1226R69.8Low60.8Low178 Ų178108.7 Ų108.767%0.67253%0.529SS*.Hα-helixtrans-66.1-39.4173-78.3-173.5178.4148.92113.7A1222 K1223 H1228 E1229 E1230A1222-R1226 PolarHBondContact O-N 2.98Å; K1223-R1226 CarbonylContact O-C 3.14Å; K1223-R1226 WeakPolarHBondContact O-CA 2.91Å; K1223-R1226 WeakPolarHBondContact O-CB 3.06Å; K1223-R1226 PolarHBondContact O-N 3.31Å; K1223-R1226 VanDerWaalsContact O-N 3.15Å; R1226-H1228 VanDerWaalsContact C-N 3.31Å; R1226-E1229 CarbonylContact O-C 3.52Å; R1226-E1229 PolarHBondContact O-N 3.45Å; R1226-E1230 WeakPolarHBondContact O-CB 2.96Å; R1226-E1230 WeakPolarHBondContact O-CG 3.38Å; R1226-E1230 PolarHBondContact O-N 3.49Å
1227E61.7Low61.4Low82 Ų82104.8 Ų104.838%0.38352%0.52SS..Hα-helixtrans-73.3-25.9176.8-73.2169.7-179.600111.6K1223 A1231K1223-E1227 WeakPolarHBondContact CE-OE1 3.19Å; K1223-E1227 IonicContact NZ-OE1 2.58Å; K1223-E1227 PolarHBondContact NZ-OE1 2.94Å; K1223-E1227 IonicContact NZ-OE2 3.98Å; K1223-E1227 WeakPolarHBondContact O-CG 3.2Å; K1223-E1227 PolarHBondContact O-N 2.86Å; E1227-A1231 WeakPolarHBondContact O-CA 3.29Å; E1227-A1231 WeakPolarHBondContact O-CB 3.3Å; E1227-A1231 PolarHBondContact O-N 3.17Å
1228H57.6Low61.6Low123 Ų123106.5 Ų106.557%0.56953%0.526SS*.Hα-helixtrans-76.3-34.7168.8-169.525.6000111.8L1224 K1225 R1226 A1231 L1232L1224-H1228 WeakPolarHBondContact O-CA 3.16Å; L1224-H1228 WeakPolarHBondContact O-CB 3.45Å; L1224-H1228 PolarHBondContact O-N 2.87Å; K1225-H1228 PolarHBondContact O-N 3.43Å; R1226-H1228 VanDerWaalsContact C-N 3.31Å; H1228-A1231 CarbonylContact O-C 3.37Å; H1228-L1232 WeakPolarHBondContact O-CB 3.39Å; H1228-L1232 WeakPolarHBondContact O-CD1 3.41Å; H1228-L1232 PolarHBondContact O-N 3.27Å
1229E64Low61.7Low122 Ų122104.2 Ų104.257%0.5752%0.516SS*.Hα-helixtrans-69.4-38.1170.2-76.1170.3165.300112K1225 R1226 L1232 M1233K1225-E1229 WeakPolarHBondContact O-CB 3.28Å; K1225-E1229 VanDerWaalsContact O-CG 3.29Å; K1225-E1229 WeakPolarHBondContact O-CG 3Å; K1225-E1229 PolarHBondContact O-N 3.4Å; R1226-E1229 CarbonylContact O-C 3.52Å; R1226-E1229 PolarHBondContact O-N 3.45Å; E1229-L1232 CarbonylContact O-C 3.56Å; E1229-L1232 WeakPolarHBondContact O-CB 3.27Å; E1229-L1232 PolarHBondContact O-N 2.92Å; E1229-M1233 WeakPolarHBondContact O-CB 3.39Å; E1229-M1233 VanDerWaalsContact O-CG 3.29Å; E1229-M1233 WeakPolarHBondContact O-CG 3.3Å; E1229-M1233 PolarHBondContact O-N 3.1Å
1230E69Low61.9Low137 Ų137101.2 Ų101.264%0.6451%0.505SS*.Hα-helixtrans-74.1-33.8173.1-75.6-178.3179.100111.5R1226 L1232 M1233 S1234R1226-E1230 WeakPolarHBondContact O-CB 2.96Å; R1226-E1230 WeakPolarHBondContact O-CG 3.38Å; R1226-E1230 PolarHBondContact O-N 3.49Å; E1230-L1232 VanDerWaalsContact C-N 3.34Å; E1230-M1233 PolarHBondContact O-N 3.42Å; E1230-S1234 WeakPolarHBondContact O-CB 3.44Å; E1230-S1234 PolarHBondContact O-N 3.42Å
1231A61.3Low62.1Low52 Ų5299.2 Ų99.243%0.4350%0.503SS..Hα-helixtrans-69.1-31.8167.400000111.8E1227 H1228 S1235E1227-A1231 WeakPolarHBondContact O-CA 3.29Å; E1227-A1231 WeakPolarHBondContact O-CB 3.3Å; E1227-A1231 PolarHBondContact O-N 3.17Å; H1228-A1231 CarbonylContact O-C 3.37Å; A1231-S1235 WeakPolarHBondContact O-CA 3.36Å; A1231-S1235 WeakPolarHBondContact O-CB 3.15Å; A1231-S1235 PolarHBondContact O-N 3.22Å
1232L54.2Low62Low85 Ų8599.7 Ų99.745%0.44551%0.506SS..Hα-helixtrans-66.5-51.6169.1-114.874.2000109.9H1228 E1229 E1230 S1234 S1235 E1236H1228-L1232 WeakPolarHBondContact O-CB 3.39Å; H1228-L1232 WeakPolarHBondContact O-CD1 3.41Å; H1228-L1232 PolarHBondContact O-N 3.27Å; E1229-L1232 CarbonylContact O-C 3.56Å; E1229-L1232 WeakPolarHBondContact O-CB 3.27Å; E1229-L1232 PolarHBondContact O-N 2.92Å; E1230-L1232 VanDerWaalsContact C-N 3.34Å; L1232-S1234 VanDerWaalsContact C-N 3.26Å; L1232-S1234 PolarHBondContact O-N 3Å; L1232-S1235 CarbonylContact O-C 3.48Å; L1232-S1235 WeakPolarHBondContact O-CA 3.37Å; L1232-S1235 WeakPolarHBondContact O-CB 2.73Å; L1232-S1235 PolarHBondContact O-N 2.88Å; L1232-S1235 VanDerWaalsContact O-N 3.08Å; L1232-E1236 VanDerWaalsContact O-CB 3.31Å; L1232-E1236 WeakPolarHBondContact O-CB 3.33Å; L1232-E1236 WeakPolarHBondContact O-CG 3.48Å; L1232-E1236 PolarHBondContact O-N 3.12Å
1233M69.7Low61.8Low128 Ų128102.9 Ų102.963%0.63151%0.512SS*.Hα-helixtrans-60.7-34.1176.5-73.6-74.2-68.700112.4E1229 E1230 S1237E1229-M1233 WeakPolarHBondContact O-CB 3.39Å; E1229-M1233 VanDerWaalsContact O-CG 3.29Å; E1229-M1233 WeakPolarHBondContact O-CG 3.3Å; E1229-M1233 PolarHBondContact O-N 3.1Å; E1230-M1233 PolarHBondContact O-N 3.42Å; M1233-S1237 WeakPolarHBondContact O-CB 3.02Å; M1233-S1237 PolarHBondContact O-N 3.31Å
1234S67.5Low61.9Low48 Ų48103.8 Ų103.834%0.33652%0.516SS..Hα-helixtrans-71-43.8172.8-174.90000111.2E1230 L1232 E1236 S1237 R1238E1230-S1234 WeakPolarHBondContact O-CB 3.44Å; E1230-S1234 PolarHBondContact O-N 3.42Å; L1232-S1234 VanDerWaalsContact C-N 3.26Å; L1232-S1234 PolarHBondContact O-N 3Å; S1234-E1236 VanDerWaalsContact C-N 3.31Å; S1234-E1236 PolarHBondContact O-N 2.93Å; S1234-S1237 PolarHBondContact O-N 2.87Å; S1234-S1237 PolarHBondContact O-OG 2.82Å; S1234-R1238 WeakPolarHBondContact O-CB 3.17Å; S1234-R1238 WeakPolarHBondContact O-CG 3.37Å; S1234-R1238 PolarHBondContact O-N 3.11Å
1235S54.9Low62.2Low52 Ų52107.2 Ų107.236%0.36452%0.522SS..Hα-helixtrans-61.6-37.6171-173.30000111.5A1231 L1232 R1238 Q1239A1231-S1235 WeakPolarHBondContact O-CA 3.36Å; A1231-S1235 WeakPolarHBondContact O-CB 3.15Å; A1231-S1235 PolarHBondContact O-N 3.22Å; L1232-S1235 CarbonylContact O-C 3.48Å; L1232-S1235 WeakPolarHBondContact O-CA 3.37Å; L1232-S1235 WeakPolarHBondContact O-CB 2.73Å; L1232-S1235 PolarHBondContact O-N 2.88Å; L1232-S1235 VanDerWaalsContact O-N 3.08Å; S1235-R1238 CarbonylContact O-C 3.58Å; S1235-R1238 PolarHBondContact O-N 2.91Å; S1235-Q1239 WeakPolarHBondContact O-CA 3.26Å; S1235-Q1239 WeakPolarHBondContact O-CB 3.29Å; S1235-Q1239 WeakPolarHBondContact O-CG 3.23Å; S1235-Q1239 PolarHBondContact O-N 3.13Å; S1235-Q1239 PolarHBondContact O-OE1 2.96Å; S1235-Q1239 PolarHBondContact OG-OE1 3.47Å
1236E59.3Low62.2Low106 Ų106106.3 Ų106.350%0.49552%0.52SS..Hα-helixtrans-76-29.7177.1-76-176.2160.100111.1L1232 S1234 Q1239 S1240L1232-E1236 VanDerWaalsContact O-CB 3.31Å; L1232-E1236 WeakPolarHBondContact O-CB 3.33Å; L1232-E1236 WeakPolarHBondContact O-CG 3.48Å; L1232-E1236 PolarHBondContact O-N 3.12Å; S1234-E1236 VanDerWaalsContact C-N 3.31Å; S1234-E1236 PolarHBondContact O-N 2.93Å; E1236-Q1239 CarbonylContact O-C 3.57Å; E1236-S1240 WeakPolarHBondContact O-CA 3.23Å; E1236-S1240 WeakPolarHBondContact O-CB 3.11Å; E1236-S1240 PolarHBondContact O-N 2.91Å
1237S68.1Low62Low64 Ų64100.6 Ų100.645%0.44851%0.51SS..Hα-helixtrans-74.7-33.5170.180.90000112.1M1233 S1234 S1240 S1241M1233-S1237 WeakPolarHBondContact O-CB 3.02Å; M1233-S1237 PolarHBondContact O-N 3.31Å; S1234-S1237 PolarHBondContact O-N 2.87Å; S1234-S1237 PolarHBondContact O-OG 2.82Å; S1237-S1240 PolarHBondContact O-N 3.05Å; S1237-S1241 WeakPolarHBondContact O-CB 3.31Å; S1237-S1241 PolarHBondContact O-N 3.4Å; S1237-S1241 PolarHBondContact O-OG 2.98Å
1238R60.5Low62.3Low168 Ų168102.1 Ų102.163%0.63452%0.518SS*.Hα-helixtrans-75.8-39.6173.2-75.7178.9177.9165.51.6111.4S1234 S1235 S1240 S1241 L1242S1234-R1238 WeakPolarHBondContact O-CB 3.17Å; S1234-R1238 WeakPolarHBondContact O-CG 3.37Å; S1234-R1238 PolarHBondContact O-N 3.11Å; S1235-R1238 CarbonylContact O-C 3.58Å; S1235-R1238 PolarHBondContact O-N 2.91Å; R1238-S1240 VanDerWaalsContact C-N 3.32Å; R1238-S1241 WeakPolarHBondContact CA-OG 3.35Å; R1238-S1241 PolarHBondContact O-OG 3.38Å; R1238-L1242 WeakPolarHBondContact O-CA 3.31Å; R1238-L1242 WeakPolarHBondContact O-CB 3.25Å; R1238-L1242 WeakPolarHBondContact O-CG 3.36Å; R1238-L1242 PolarHBondContact O-N 3.47Å
1239Q56.6Low62.4Low96 Ų96100.9 Ų100.945%0.44951%0.514SS..Hα-helixtrans-67.5-32.4167.8-76.1170.6-89.200110.3S1235 E1236 L1242 Q1243S1235-Q1239 WeakPolarHBondContact O-CA 3.26Å; S1235-Q1239 WeakPolarHBondContact O-CB 3.29Å; S1235-Q1239 WeakPolarHBondContact O-CG 3.23Å; S1235-Q1239 PolarHBondContact O-N 3.13Å; S1235-Q1239 PolarHBondContact O-OE1 2.96Å; S1235-Q1239 PolarHBondContact OG-OE1 3.47Å; E1236-Q1239 CarbonylContact O-C 3.57Å; Q1239-L1242 CarbonylContact O-C 3.45Å; Q1239-Q1243 VanDerWaalsContact O-CA 3.31Å; Q1239-Q1243 WeakPolarHBondContact O-CA 3.39Å; Q1239-Q1243 WeakPolarHBondContact O-CB 3.37Å; Q1239-Q1243 WeakPolarHBondContact O-CG 3.33Å; Q1239-Q1243 PolarHBondContact O-N 3.16Å; Q1239-Q1243 PolarHBondContact O-OE1 3.1Å
1240S67.7Low62.2Low64 Ų6497.6 Ų97.645%0.44850%0.503SS..Hα-helixtrans-73.6-41.1176.4-1790000111.1E1236 S1237 R1238 Q1243 K1244E1236-S1240 WeakPolarHBondContact O-CA 3.23Å; E1236-S1240 WeakPolarHBondContact O-CB 3.11Å; E1236-S1240 PolarHBondContact O-N 2.91Å; S1237-S1240 PolarHBondContact O-N 3.05Å; R1238-S1240 VanDerWaalsContact C-N 3.32Å; S1240-Q1243 CarbonylContact O-C 3.58Å; S1240-Q1243 PolarHBondContact O-N 3.17Å; S1240-K1244 VanDerWaalsContact O-CB 3.3Å; S1240-K1244 WeakPolarHBondContact O-CB 3.34Å; S1240-K1244 PolarHBondContact O-N 3.17Å
1241S65.6Low62.2Low67 Ų6793.6 Ų93.647%0.46949%0.493SS..Hα-helixtrans-74.7-33.2174.451.20000112.8S1237 R1238 K1244 R1245S1237-S1241 WeakPolarHBondContact O-CB 3.31Å; S1237-S1241 PolarHBondContact O-N 3.4Å; S1237-S1241 PolarHBondContact O-OG 2.98Å; R1238-S1241 WeakPolarHBondContact CA-OG 3.35Å; R1238-S1241 PolarHBondContact O-OG 3.38Å; S1241-K1244 PolarHBondContact O-N 3.33Å; S1241-R1245 PolarHBondContact O-N 3.04Å
1242L53.2Low62.2Low106 Ų10696.1 Ų96.156%0.55550%0.499SS*.Hα-helixtrans-70.3-30.3165-79.5162.7000112.1R1238 Q1239 K1244 H1246R1238-L1242 WeakPolarHBondContact O-CA 3.31Å; R1238-L1242 WeakPolarHBondContact O-CB 3.25Å; R1238-L1242 WeakPolarHBondContact O-CG 3.36Å; R1238-L1242 PolarHBondContact O-N 3.47Å; Q1239-L1242 CarbonylContact O-C 3.45Å; L1242-K1244 VanDerWaalsContact C-N 3.33Å; L1242-H1246 WeakPolarHBondContact O-CA 3.39Å; L1242-H1246 WeakPolarHBondContact O-CB 3.23Å; L1242-H1246 PolarHBondContact O-CD2 3.03Å; L1242-H1246 PolarHBondContact O-N 3.2Å
1243Q58.9Low62.4Low119 Ų11995.3 Ų95.356%0.55650%0.495SS*.Hα-helixtrans-75-24.9170.9-81.3158.92.700110.7Q1239 S1240 H1246 A1247Q1239-Q1243 VanDerWaalsContact O-CA 3.31Å; Q1239-Q1243 WeakPolarHBondContact O-CA 3.39Å; Q1239-Q1243 WeakPolarHBondContact O-CB 3.37Å; Q1239-Q1243 WeakPolarHBondContact O-CG 3.33Å; Q1239-Q1243 PolarHBondContact O-N 3.16Å; Q1239-Q1243 PolarHBondContact O-OE1 3.1Å; S1240-Q1243 CarbonylContact O-C 3.58Å; S1240-Q1243 PolarHBondContact O-N 3.17Å; Q1243-H1246 CarbonylContact O-C 3.6Å; Q1243-A1247 WeakPolarHBondContact O-CA 3.48Å; Q1243-A1247 WeakPolarHBondContact O-CB 3.42Å; Q1243-A1247 PolarHBondContact O-N 3.45Å
1244K67.4Low62.1Low142 Ų14292.8 Ų92.862%0.61748%0.484SS*.Hα-helixtrans-81.8-41.1175.8-148.3172.8-171-1790111S1240 S1241 L1242 A1247 E1248S1240-K1244 VanDerWaalsContact O-CB 3.3Å; S1240-K1244 WeakPolarHBondContact O-CB 3.34Å; S1240-K1244 PolarHBondContact O-N 3.17Å; S1241-K1244 PolarHBondContact O-N 3.33Å; L1242-K1244 VanDerWaalsContact C-N 3.33Å; K1244-A1247 CarbonylContact O-C 3.57Å; K1244-A1247 PolarHBondContact O-N 3.36Å; K1244-A1247 VanDerWaalsContact O-N 3.1Å; K1244-E1248 WeakPolarHBondContact O-CB 3.5Å; K1244-E1248 WeakPolarHBondContact O-CG 3.38Å; K1244-E1248 PolarHBondContact O-N 3.18Å
1245R58.4Low61.9Low175 Ų17597.4 Ų97.466%0.6650%0.5SS*.Hα-helixtrans-71-32.3166.6-79.3-174.9170.5175-2.3113S1241 A1247 I1249S1241-R1245 PolarHBondContact O-N 3.04Å; R1245-A1247 VanDerWaalsContact C-N 3.31Å; R1245-I1249 WeakPolarHBondContact O-CA 3.31Å; R1245-I1249 WeakPolarHBondContact O-CB 3.48Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.4Å; R1245-I1249 PolarHBondContact O-N 3.02Å
1246H60.4Low61.9Low119 Ų11999.8 Ų99.855%0.55151%0.505SS*.Hα-helixtrans-70.6-25.9164.2-91.2-82.9000111L1242 Q1243 V1250L1242-H1246 WeakPolarHBondContact O-CA 3.39Å; L1242-H1246 WeakPolarHBondContact O-CB 3.23Å; L1242-H1246 PolarHBondContact O-CD2 3.03Å; L1242-H1246 PolarHBondContact O-N 3.2Å; Q1243-H1246 CarbonylContact O-C 3.6Å; H1246-V1250 VanDerWaalsContact O-CA 3.25Å; H1246-V1250 WeakPolarHBondContact O-CA 3.49Å; H1246-V1250 WeakPolarHBondContact O-CB 3.48Å; H1246-V1250 WeakPolarHBondContact O-CG2 3.26Å; H1246-V1250 PolarHBondContact O-N 3.4Å
1247A66.8Low61.8Low57 Ų5797.2 Ų97.247%0.47149%0.494SS..Hα-helixtrans-80.5-26.7175.100000112.2Q1243 K1244 R1245 V1250 A1251Q1243-A1247 WeakPolarHBondContact O-CA 3.48Å; Q1243-A1247 WeakPolarHBondContact O-CB 3.42Å; Q1243-A1247 PolarHBondContact O-N 3.45Å; K1244-A1247 CarbonylContact O-C 3.57Å; K1244-A1247 PolarHBondContact O-N 3.36Å; K1244-A1247 VanDerWaalsContact O-N 3.1Å; R1245-A1247 VanDerWaalsContact C-N 3.31Å; A1247-V1250 CarbonylContact O-C 3.55Å; A1247-V1250 VanDerWaalsContact O-C 3.26Å; A1247-A1251 WeakPolarHBondContact O-CA 3.45Å; A1247-A1251 WeakPolarHBondContact O-CB 3.07Å; A1247-A1251 PolarHBondContact O-N 3.21Å
1248E67.8Low61.5Low115 Ų11598.1 Ų98.154%0.53749%0.494SS..Hα-helixtrans-79.9-42170.7-73164.6-178.600110.6K1244 V1250 A1251 D1252K1244-E1248 WeakPolarHBondContact O-CB 3.5Å; K1244-E1248 WeakPolarHBondContact O-CG 3.38Å; K1244-E1248 PolarHBondContact O-N 3.18Å; E1248-V1250 VanDerWaalsContact C-N 3.31Å; E1248-A1251 CarbonylContact O-C 3.5Å; E1248-A1251 WeakPolarHBondContact O-CA 3.28Å; E1248-A1251 WeakPolarHBondContact O-CB 3.34Å; E1248-A1251 PolarHBondContact O-N 3.46Å; E1248-D1252 PolarHBondContact O-N 2.98Å
1249I59.3Low61.4Low97 Ų9794.8 Ų94.850%0.49749%0.493SS..Hα-helixtrans-74.3-21.7172-64.3168.3000111.1R1245 A1251 L1253R1245-I1249 WeakPolarHBondContact O-CA 3.31Å; R1245-I1249 WeakPolarHBondContact O-CB 3.48Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.4Å; R1245-I1249 PolarHBondContact O-N 3.02Å; I1249-A1251 VanDerWaalsContact C-N 3.35Å; I1249-L1253 HydrophobicContact CG2-CD1 3.95Å; I1249-L1253 HydrophobicContact CG2-CG 4.31Å; I1249-L1253 VanDerWaalsContact O-CA 3.29Å; I1249-L1253 WeakPolarHBondContact O-CA 3.35Å; I1249-L1253 WeakPolarHBondContact O-CB 3.46Å; I1249-L1253 WeakPolarHBondContact O-CD1 3.39Å; I1249-L1253 WeakPolarHBondContact O-CG 3.42Å; I1249-L1253 PolarHBondContact O-N 3.14Å
1250V60.5Low61.2Low53 Ų5393.7 Ų93.732%0.32149%0.489SS..Hα-helixtrans-96.715.9163-1750000110.5H1246 A1247 E1248 N1254H1246-V1250 VanDerWaalsContact O-CA 3.25Å; H1246-V1250 WeakPolarHBondContact O-CA 3.49Å; H1246-V1250 WeakPolarHBondContact O-CB 3.48Å; H1246-V1250 WeakPolarHBondContact O-CG2 3.26Å; H1246-V1250 PolarHBondContact O-N 3.4Å; A1247-V1250 CarbonylContact O-C 3.55Å; A1247-V1250 VanDerWaalsContact O-C 3.26Å; E1248-V1250 VanDerWaalsContact C-N 3.31Å; V1250-N1254 WeakPolarHBondContact O-CB 3.46Å; V1250-N1254 PolarHBondContact O-N 2.69Å; V1250-N1254 PolarHBondContact O-ND2 3.26Å
1251A68.7Low60.8Low52 Ų5292.9 Ų92.943%0.4348%0.479SS..Hα-helixtrans-99.4-46.9157.900000108.5A1247 E1248 I1249 N1254 E1255A1247-A1251 WeakPolarHBondContact O-CA 3.45Å; A1247-A1251 WeakPolarHBondContact O-CB 3.07Å; A1247-A1251 PolarHBondContact O-N 3.21Å; E1248-A1251 CarbonylContact O-C 3.5Å; E1248-A1251 WeakPolarHBondContact O-CA 3.28Å; E1248-A1251 WeakPolarHBondContact O-CB 3.34Å; E1248-A1251 PolarHBondContact O-N 3.46Å; I1249-A1251 VanDerWaalsContact C-N 3.35Å; A1251-N1254 VanDerWaalsContact C-N 3.32Å; A1251-N1254 CarbonylContact O-C 3.55Å; A1251-N1254 WeakPolarHBondContact O-CA 3.07Å; A1251-N1254 PolarHBondContact O-N 3.47Å; A1251-E1255 PolarHBondContact O-N 3.42Å
1252D60.9Low60.6Low105 Ų10597.3 Ų97.356%0.56149%0.489SS*.Hα-helixtrans-64-42.8167.3-10340.7000111.4E1248 N1254 E1255 Q1256E1248-D1252 PolarHBondContact O-N 2.98Å; D1252-N1254 VanDerWaalsContact C-N 3.27Å; D1252-N1254 PolarHBondContact O-N 3.02Å; D1252-E1255 PolarHBondContact O-N 3.01Å; D1252-Q1256 WeakPolarHBondContact O-CA 3.01Å; D1252-Q1256 WeakPolarHBondContact O-CB 3.22Å; D1252-Q1256 VanDerWaalsContact O-CG 3.3Å; D1252-Q1256 WeakPolarHBondContact O-CG 3.4Å; D1252-Q1256 PolarHBondContact O-N 2.82Å
1253L57.3Low60.5Low69 Ų6995.8 Ų95.836%0.36148%0.482SS..Hα-helixtrans-78.33.1164.1-59.9168.7000112.9I1249 Q1256 I1257I1249-L1253 HydrophobicContact CG2-CD1 3.95Å; I1249-L1253 HydrophobicContact CG2-CG 4.31Å; I1249-L1253 VanDerWaalsContact O-CA 3.29Å; I1249-L1253 WeakPolarHBondContact O-CA 3.35Å; I1249-L1253 WeakPolarHBondContact O-CB 3.46Å; I1249-L1253 WeakPolarHBondContact O-CD1 3.39Å; I1249-L1253 WeakPolarHBondContact O-CG 3.42Å; I1249-L1253 PolarHBondContact O-N 3.14Å; L1253-Q1256 HydrophobicContact CD2-CB 4.41Å; L1253-I1257 HydrophobicContact CB-CD1 4.45Å; L1253-I1257 WeakPolarHBondContact O-CA 3.37Å; L1253-I1257 WeakPolarHBondContact O-CB 3.05Å; L1253-I1257 WeakPolarHBondContact O-CD1 3.47Å; L1253-I1257 WeakPolarHBondContact O-CG1 2.99Å; L1253-I1257 PolarHBondContact O-N 2.86Å
1254N65Low60.5Low74 Ų7493 Ų9340%0.39647%0.467SS..Hα-helixtrans-98.1-19.9160-90.3-29000113V1250 A1251 D1252 I1257 D1258V1250-N1254 WeakPolarHBondContact O-CB 3.46Å; V1250-N1254 PolarHBondContact O-N 2.69Å; V1250-N1254 PolarHBondContact O-ND2 3.26Å; A1251-N1254 VanDerWaalsContact C-N 3.32Å; A1251-N1254 CarbonylContact O-C 3.55Å; A1251-N1254 WeakPolarHBondContact O-CA 3.07Å; A1251-N1254 PolarHBondContact O-N 3.47Å; D1252-N1254 VanDerWaalsContact C-N 3.27Å; D1252-N1254 PolarHBondContact O-N 3.02Å; N1254-I1257 CarbonylContact O-C 3.55Å; N1254-D1258 WeakPolarHBondContact O-CB 3.4Å; N1254-D1258 PolarHBondContact O-N 3.02Å
1255E61.8Low60Low146 Ų14692 Ų9268%0.68247%0.465SS*.Hα-helixtrans-82.8-35.5166.5-164.8166.3-137.900110.4A1251 D1252 D1258 T1259A1251-E1255 PolarHBondContact O-N 3.42Å; D1252-E1255 PolarHBondContact O-N 3.01Å; E1255-D1258 VanDerWaalsContact C-N 3.33Å; E1255-D1258 CarbonylContact O-C 3.52Å; E1255-D1258 WeakPolarHBondContact O-CA 3.39Å; E1255-D1258 WeakPolarHBondContact O-CB 3.29Å; E1255-D1258 PolarHBondContact O-N 2.87Å; E1255-T1259 PolarHBondContact O-N 3.22Å; E1255-T1259 PolarHBondContact O-OG1 2.76Å
1256Q55.2Low59.9Low102 Ų10291.4 Ų91.448%0.47746%0.463SS..Hα-helixtrans-75.9-21.3162.2-61.9178.647.500112.7D1252 L1253 D1258 T1259 L1260D1252-Q1256 WeakPolarHBondContact O-CA 3.01Å; D1252-Q1256 WeakPolarHBondContact O-CB 3.22Å; D1252-Q1256 VanDerWaalsContact O-CG 3.3Å; D1252-Q1256 WeakPolarHBondContact O-CG 3.4Å; D1252-Q1256 PolarHBondContact O-N 2.82Å; L1253-Q1256 HydrophobicContact CD2-CB 4.41Å; Q1256-D1258 VanDerWaalsContact C-N 3.26Å; Q1256-T1259 WeakPolarHBondContact CA-OG1 2.88Å; Q1256-T1259 PolarHBondContact O-OG1 3.34Å; Q1256-L1260 WeakPolarHBondContact O-CA 3.36Å; Q1256-L1260 WeakPolarHBondContact O-CB 3.14Å; Q1256-L1260 VanDerWaalsContact O-CD1 3.3Å; Q1256-L1260 WeakPolarHBondContact O-CD1 3.39Å; Q1256-L1260 WeakPolarHBondContact O-CG 3Å; Q1256-L1260 PolarHBondContact O-N 3Å
1257I57.1Low59.7Low51 Ų5189.6 Ų89.626%0.26246%0.457SS..Hα-helixtrans-87.312.5156.3-61.2162.1000111.7L1253 N1254 L1260 Q1261 K1264L1253-I1257 HydrophobicContact CB-CD1 4.45Å; L1253-I1257 WeakPolarHBondContact O-CA 3.37Å; L1253-I1257 WeakPolarHBondContact O-CB 3.05Å; L1253-I1257 WeakPolarHBondContact O-CD1 3.47Å; L1253-I1257 WeakPolarHBondContact O-CG1 2.99Å; L1253-I1257 PolarHBondContact O-N 2.86Å; N1254-I1257 CarbonylContact O-C 3.55Å; I1257-L1260 VanDerWaalsContact C-C 3.41Å; I1257-L1260 HydrophobicContact CG1-CB 4.22Å; I1257-L1260 HydrophobicContact CG1-CD1 4.18Å; I1257-L1260 CarbonylContact O-C 3.32Å; I1257-Q1261 HydrophobicContact CG2-CG 4.49Å; I1257-Q1261 WeakPolarHBondContact O-CA 3.4Å; I1257-Q1261 WeakPolarHBondContact O-CB 3.45Å; I1257-Q1261 WeakPolarHBondContact O-CG 3.38Å; I1257-Q1261 PolarHBondContact O-N 2.72Å; I1257-Q1261 PolarHBondContact O-OE1 2.95Å; I1257-K1264 HydrophobicContact CG2-CD 3.83Å
1258D62.5Low59.3Low84 Ų8489.9 Ų89.945%0.44945%0.448SS..Hα-helixtrans-99.9-37.6163.8-124.3-46.1000111.7N1254 E1255 Q1256 Q1261 K1262N1254-D1258 WeakPolarHBondContact O-CB 3.4Å; N1254-D1258 PolarHBondContact O-N 3.02Å; E1255-D1258 VanDerWaalsContact C-N 3.33Å; E1255-D1258 CarbonylContact O-C 3.52Å; E1255-D1258 WeakPolarHBondContact O-CA 3.39Å; E1255-D1258 WeakPolarHBondContact O-CB 3.29Å; E1255-D1258 PolarHBondContact O-N 2.87Å; Q1256-D1258 VanDerWaalsContact C-N 3.26Å; D1258-Q1261 CarbonylContact O-C 3.51Å; D1258-Q1261 VanDerWaalsContact O-CA 3.22Å; D1258-Q1261 WeakPolarHBondContact O-CA 3.46Å; D1258-Q1261 WeakPolarHBondContact O-CB 3.39Å; D1258-Q1261 PolarHBondContact O-N 3.24Å; D1258-Q1261 PolarHBondContact OD1-NE2 3.49Å; D1258-Q1261 PolarHBondContact OD2-NE2 3.05Å; D1258-K1262 PolarHBondContact O-N 2.84Å
1259T58.8Low59.1Low98 Ų9891.7 Ų91.760%0.60146%0.455SS*.Hα-helixtrans-73.3-44.5162.2500000111.5E1255 Q1256 Q1261 K1262 L1263E1255-T1259 PolarHBondContact O-N 3.22Å; E1255-T1259 PolarHBondContact O-OG1 2.76Å; Q1256-T1259 WeakPolarHBondContact CA-OG1 2.88Å; Q1256-T1259 PolarHBondContact O-OG1 3.34Å; T1259-Q1261 PolarHBondContact O-N 3.47Å; T1259-K1262 PolarHBondContact O-N 2.97Å; T1259-L1263 PolarHBondContact O-N 2.85Å
1260L52.4Low59Low72 Ų7289.8 Ų89.838%0.37744%0.443SS..Hα-helixtrans-74.325.4151.9-43.2153.9000112.2Q1256 I1257 L1263 K1264Q1256-L1260 WeakPolarHBondContact O-CA 3.36Å; Q1256-L1260 WeakPolarHBondContact O-CB 3.14Å; Q1256-L1260 VanDerWaalsContact O-CD1 3.3Å; Q1256-L1260 WeakPolarHBondContact O-CD1 3.39Å; Q1256-L1260 WeakPolarHBondContact O-CG 3Å; Q1256-L1260 PolarHBondContact O-N 3Å; I1257-L1260 VanDerWaalsContact C-C 3.41Å; I1257-L1260 HydrophobicContact CG1-CB 4.22Å; I1257-L1260 HydrophobicContact CG1-CD1 4.18Å; I1257-L1260 CarbonylContact O-C 3.32Å; L1260-L1263 HydrophobicContact CB-CB 4.03Å; L1260-L1263 HydrophobicContact CD2-CB 3.73Å; L1260-L1263 HydrophobicContact CD2-CD2 3.51Å; L1260-L1263 HydrophobicContact CD2-CG 4.23Å; L1260-L1263 HydrophobicContact CG-CB 4.42Å; L1260-K1264 WeakPolarHBondContact O-CA 3.39Å; L1260-K1264 WeakPolarHBondContact O-CB 3.41Å; L1260-K1264 PolarHBondContact O-N 2.82Å
1261Q58.8Low58.8Low48 Ų4892.1 Ų92.122%0.22445%0.449CS..Hα-helixtrans-100.5-26.3150.7-97.2135.4-153.600112.1I1257 D1258 T1259 L1263 K1264 Q1265I1257-Q1261 HydrophobicContact CG2-CG 4.49Å; I1257-Q1261 WeakPolarHBondContact O-CA 3.4Å; I1257-Q1261 WeakPolarHBondContact O-CB 3.45Å; I1257-Q1261 WeakPolarHBondContact O-CG 3.38Å; I1257-Q1261 PolarHBondContact O-N 2.72Å; I1257-Q1261 PolarHBondContact O-OE1 2.95Å; D1258-Q1261 CarbonylContact O-C 3.51Å; D1258-Q1261 VanDerWaalsContact O-CA 3.22Å; D1258-Q1261 WeakPolarHBondContact O-CA 3.46Å; D1258-Q1261 WeakPolarHBondContact O-CB 3.39Å; D1258-Q1261 PolarHBondContact O-N 3.24Å; D1258-Q1261 PolarHBondContact OD1-NE2 3.49Å; D1258-Q1261 PolarHBondContact OD2-NE2 3.05Å; T1259-Q1261 PolarHBondContact O-N 3.47Å; Q1261-L1263 VanDerWaalsContact C-N 3.33Å; Q1261-K1264 VanDerWaalsContact C-N 3.35Å; Q1261-K1264 VanDerWaalsContact CA-CB 3.46Å; Q1261-K1264 HydrophobicContact CB-CB 4.21Å; Q1261-K1264 HydrophobicContact CG-CB 3.9Å; Q1261-K1264 HydrophobicContact CG-CD 3.46Å; Q1261-K1264 VanDerWaalsContact CG-CD 3.46Å; Q1261-K1264 HydrophobicContact CG-CG 4.43Å; Q1261-K1264 CarbonylContact O-C 3.44Å; Q1261-K1264 PolarHBondContact O-N 2.94Å; Q1261-Q1265 WeakPolarHBondContact O-CB 2.94Å; Q1261-Q1265 WeakPolarHBondContact O-CG 3.25Å; Q1261-Q1265 PolarHBondContact O-N 3.32Å
1262K60.9Low58.6Low159 Ų15993 Ų9369%0.69145%0.45SS*.Hα-helixtrans-75.3-33.5160.6-68.4165.4-171.81670109.6D1258 T1259 Q1265 R1266D1258-K1262 PolarHBondContact O-N 2.84Å; T1259-K1262 PolarHBondContact O-N 2.97Å; K1262-Q1265 PolarHBondContact O-N 3.25Å; K1262-R1266 PolarHBondContact O-N 2.64Å
1263L52.5Low58.8Low75 Ų7592.3 Ų92.339%0.39344%0.444SS..Hα-helixtrans-79.8-16.1161.4-128.183.4000114.5T1259 L1260 Q1261 R1266 L1267T1259-L1263 PolarHBondContact O-N 2.85Å; L1260-L1263 HydrophobicContact CB-CB 4.03Å; L1260-L1263 HydrophobicContact CD2-CB 3.73Å; L1260-L1263 HydrophobicContact CD2-CD2 3.51Å; L1260-L1263 HydrophobicContact CD2-CG 4.23Å; L1260-L1263 HydrophobicContact CG-CB 4.42Å; Q1261-L1263 VanDerWaalsContact C-N 3.33Å; L1263-R1266 CarbonylContact O-C 3.6Å; L1263-L1267 HydrophobicContact CD2-CD1 4.45Å; L1263-L1267 WeakPolarHBondContact O-CA 2.96Å; L1263-L1267 WeakPolarHBondContact O-CB 3.23Å; L1263-L1267 VanDerWaalsContact O-CG 3.28Å; L1263-L1267 WeakPolarHBondContact O-CG 3.38Å; L1263-L1267 PolarHBondContact O-N 2.82Å
1264K57.1Low58.8Low59 Ų5992.3 Ų92.326%0.25744%0.444SS..Hα-helixtrans-76.7-26.6161.5-144.9176.1178.21680109.9I1257 L1260 Q1261 R1266 L1267 E1268I1257-K1264 HydrophobicContact CG2-CD 3.83Å; L1260-K1264 WeakPolarHBondContact O-CA 3.39Å; L1260-K1264 WeakPolarHBondContact O-CB 3.41Å; L1260-K1264 PolarHBondContact O-N 2.82Å; Q1261-K1264 VanDerWaalsContact C-N 3.35Å; Q1261-K1264 VanDerWaalsContact CA-CB 3.46Å; Q1261-K1264 HydrophobicContact CB-CB 4.21Å; Q1261-K1264 HydrophobicContact CG-CB 3.9Å; Q1261-K1264 HydrophobicContact CG-CD 3.46Å; Q1261-K1264 VanDerWaalsContact CG-CD 3.46Å; Q1261-K1264 HydrophobicContact CG-CG 4.43Å; Q1261-K1264 CarbonylContact O-C 3.44Å; Q1261-K1264 PolarHBondContact O-N 2.94Å; K1264-R1266 VanDerWaalsContact C-N 3.27Å; K1264-R1266 PolarHBondContact O-N 3.48Å; K1264-L1267 CarbonylContact O-C 3.19Å; K1264-L1267 WeakPolarHBondContact O-CA 2.82Å; K1264-L1267 PolarHBondContact O-N 3.44Å; K1264-L1267 VanDerWaalsContact O-O 3.13Å; K1264-E1268 HydrophobicContact CB-CG 4.42Å; K1264-E1268 WeakPolarHBondContact CD-OE1 3.14Å; K1264-E1268 HydrophobicContact CG-CG 3.91Å; K1264-E1268 WeakPolarHBondContact CG-OE1 3.42Å; K1264-E1268 WeakPolarHBondContact O-CA 3.48Å; K1264-E1268 WeakPolarHBondContact O-CB 3.37Å; K1264-E1268 WeakPolarHBondContact O-CG 3.4Å; K1264-E1268 PolarHBondContact O-N 2.92Å
1265Q57.5Low58.6Low121 Ų12190.9 Ų90.957%0.56544%0.435SS*.Hα-helixtrans-73.6-25.5172.5-78.2166.73.500111Q1261 K1262 K1269Q1261-Q1265 WeakPolarHBondContact O-CB 2.94Å; Q1261-Q1265 WeakPolarHBondContact O-CG 3.25Å; Q1261-Q1265 PolarHBondContact O-N 3.32Å; K1262-Q1265 PolarHBondContact O-N 3.25Å; Q1265-K1269 WeakPolarHBondContact O-CG 3.06Å; Q1265-K1269 PolarHBondContact O-N 3Å
1266R57.1Low58.9Low164 Ų16488 Ų8862%0.61943%0.425SS*.Hα-helixtrans-80.7-39.4162.4-84.3-175.5167.9171.4-3.6113.2K1262 L1263 K1264 E1268 K1269 E1270K1262-R1266 PolarHBondContact O-N 2.64Å; L1263-R1266 CarbonylContact O-C 3.6Å; K1264-R1266 VanDerWaalsContact C-N 3.27Å; K1264-R1266 PolarHBondContact O-N 3.48Å; R1266-E1268 PolarHBondContact O-N 3.11Å; R1266-K1269 CarbonylContact O-C 3.52Å; R1266-K1269 PolarHBondContact O-N 2.93Å; R1266-E1270 WeakPolarHBondContact O-CA 3.37Å; R1266-E1270 WeakPolarHBondContact O-CB 3.03Å; R1266-E1270 VanDerWaalsContact O-CG 3.27Å; R1266-E1270 WeakPolarHBondContact O-CG 3.2Å; R1266-E1270 PolarHBondContact O-N 2.86Å
1267L56.7Low59.2Low80 Ų8086.6 Ų86.642%0.41942%0.418SS..Hα-helixtrans-86.938.6167-63.6161.2000111.2L1263 K1264 E1270 K1271L1263-L1267 HydrophobicContact CD2-CD1 4.45Å; L1263-L1267 WeakPolarHBondContact O-CA 2.96Å; L1263-L1267 WeakPolarHBondContact O-CB 3.23Å; L1263-L1267 VanDerWaalsContact O-CG 3.28Å; L1263-L1267 WeakPolarHBondContact O-CG 3.38Å; L1263-L1267 PolarHBondContact O-N 2.82Å; K1264-L1267 CarbonylContact O-C 3.19Å; K1264-L1267 WeakPolarHBondContact O-CA 2.82Å; K1264-L1267 PolarHBondContact O-N 3.44Å; K1264-L1267 VanDerWaalsContact O-O 3.13Å; L1267-E1270 HydrophobicContact CD2-CB 4.33Å; L1267-K1271 VanDerWaalsContact C-CB 3.5Å; L1267-K1271 WeakPolarHBondContact O-CB 3.3Å; L1267-K1271 PolarHBondContact O-N 3.3Å
1268E57.7Low59.3Low63 Ų6387.6 Ų87.629%0.29442%0.423SS..Hα-helixtrans-152-22.6173.9-79.7159.7169.200107.8K1264 R1266 K1271 T1272K1264-E1268 HydrophobicContact CB-CG 4.42Å; K1264-E1268 WeakPolarHBondContact CD-OE1 3.14Å; K1264-E1268 HydrophobicContact CG-CG 3.91Å; K1264-E1268 WeakPolarHBondContact CG-OE1 3.42Å; K1264-E1268 WeakPolarHBondContact O-CA 3.48Å; K1264-E1268 WeakPolarHBondContact O-CB 3.37Å; K1264-E1268 WeakPolarHBondContact O-CG 3.4Å; K1264-E1268 PolarHBondContact O-N 2.92Å; R1266-E1268 PolarHBondContact O-N 3.11Å; E1268-K1271 VanDerWaalsContact CA-N 3.32Å; E1268-K1271 HydrophobicContact CG-CB 4.3Å; E1268-K1271 HydrophobicContact CG-CD 4.15Å; E1268-K1271 CarbonylContact O-C 3.56Å; E1268-T1272 WeakPolarHBondContact O-CA 3.11Å; E1268-T1272 WeakPolarHBondContact O-CB 2.95Å; E1268-T1272 WeakPolarHBondContact O-CG2 3.42Å; E1268-T1272 PolarHBondContact O-N 3.24Å; E1268-T1272 PolarHBondContact O-OG1 3.46Å
1269K64.3Low59.7Low154 Ų15487 Ų8767%0.6742%0.42SS*.Hα-helixtrans-75.3-30.6145.9-69.9-174.7178-168.80111.9Q1265 R1266 T1272 M1273Q1265-K1269 WeakPolarHBondContact O-CG 3.06Å; Q1265-K1269 PolarHBondContact O-N 3Å; R1266-K1269 CarbonylContact O-C 3.52Å; R1266-K1269 PolarHBondContact O-N 2.93Å; K1269-T1272 CarbonylContact O-C 3.41Å; K1269-T1272 PolarHBondContact O-OG1 2.77Å; K1269-M1273 WeakPolarHBondContact O-CB 3.22Å; K1269-M1273 WeakPolarHBondContact O-CE 3.45Å; K1269-M1273 VanDerWaalsContact O-CG 3.27Å; K1269-M1273 WeakPolarHBondContact O-CG 3.5Å; K1269-M1273 PolarHBondContact O-N 2.88Å
1270E55.9Low60.1Low56 Ų5687.6 Ų87.626%0.26242%0.416SS..SBendtrans-96.8-12.7168.6-59.6177.8-170.700112.8R1266 L1267 M1273 L1274 R1895R1266-E1270 WeakPolarHBondContact O-CA 3.37Å; R1266-E1270 WeakPolarHBondContact O-CB 3.03Å; R1266-E1270 VanDerWaalsContact O-CG 3.27Å; R1266-E1270 WeakPolarHBondContact O-CG 3.2Å; R1266-E1270 PolarHBondContact O-N 2.86Å; L1267-E1270 HydrophobicContact CD2-CB 4.33Å; E1270-M1273 HydrophobicContact CG-CE 3.81Å; E1270-L1274 WeakPolarHBondContact O-CA 3.17Å; E1270-L1274 WeakPolarHBondContact O-CB 3.35Å; E1270-L1274 VanDerWaalsContact O-CD1 3.31Å; E1270-L1274 WeakPolarHBondContact O-CD1 3.35Å; E1270-L1274 WeakPolarHBondContact O-CG 3.16Å; E1270-L1274 PolarHBondContact O-N 3Å; E1270-R1895 IonicContact OE1-CZ 3.89Å; E1270-R1895 IonicContact OE1-NH1 3.94Å; E1270-R1895 PolarHBondContact OE1-NH1 2.93Å; E1270-R1895 IonicContact OE1-NH2 3.21Å; E1270-R1895 IonicContact OE2-CZ 3.32Å; E1270-R1895 IonicContact OE2-NH1 2.6Å; E1270-R1895 PolarHBondContact OE2-NH1 2.7Å; E1270-R1895 IonicContact OE2-NH2 2.68Å; E1270-R1895 PolarHBondContact OE2-NH2 2.8Å
1271K57.4Low60.3Low102 Ų10289.3 Ų89.344%0.44342%0.424SS..THydrogen-bonded Turntrans-90.1-0.3155-171.4-150.2172-164.70111.2L1267 E1268 L1274 Q1275L1267-K1271 VanDerWaalsContact C-CB 3.5Å; L1267-K1271 WeakPolarHBondContact O-CB 3.3Å; L1267-K1271 PolarHBondContact O-N 3.3Å; E1268-K1271 VanDerWaalsContact CA-N 3.32Å; E1268-K1271 HydrophobicContact CG-CB 4.3Å; E1268-K1271 HydrophobicContact CG-CD 4.15Å; E1268-K1271 CarbonylContact O-C 3.56Å; K1271-L1274 CarbonylContact O-C 3.55Å; K1271-L1274 VanDerWaalsContact O-C 3.28Å; K1271-Q1275 VanDerWaalsContact C-N 3.28Å; K1271-Q1275 VanDerWaalsContact O-CA 3.29Å; K1271-Q1275 WeakPolarHBondContact O-CA 3.01Å; K1271-Q1275 WeakPolarHBondContact O-CB 3.11Å; K1271-Q1275 PolarHBondContact O-N 3.09Å
1272T64.5Low60.6Low72 Ų7292.6 Ų92.644%0.44244%0.435SS..THydrogen-bonded Turntrans-105.4-9.4157.267.60000112.9E1268 K1269 Q1275 N1276E1268-T1272 WeakPolarHBondContact O-CA 3.11Å; E1268-T1272 WeakPolarHBondContact O-CB 2.95Å; E1268-T1272 WeakPolarHBondContact O-CG2 3.42Å; E1268-T1272 PolarHBondContact O-N 3.24Å; E1268-T1272 PolarHBondContact O-OG1 3.46Å; K1269-T1272 CarbonylContact O-C 3.41Å; K1269-T1272 PolarHBondContact O-OG1 2.77Å; T1272-Q1275 HydrophobicContact CG2-CB 4.34Å; T1272-N1276 WeakPolarHBondContact O-CB 3.4Å; T1272-N1276 PolarHBondContact O-N 3.08Å; T1272-N1276 PolarHBondContact O-OD1 3Å
1273M63.6Low61Low89 Ų8987.2 Ų87.244%0.43842%0.418SS..Hα-helixtrans-89.3-18.7155.4-68179.1-55.800111.2K1269 E1270 E1277K1269-M1273 WeakPolarHBondContact O-CB 3.22Å; K1269-M1273 WeakPolarHBondContact O-CE 3.45Å; K1269-M1273 VanDerWaalsContact O-CG 3.27Å; K1269-M1273 WeakPolarHBondContact O-CG 3.5Å; K1269-M1273 PolarHBondContact O-N 2.88Å; E1270-M1273 HydrophobicContact CG-CE 3.81Å; M1273-E1277 WeakPolarHBondContact O-CA 2.91Å; M1273-E1277 WeakPolarHBondContact O-CB 3.45Å; M1273-E1277 WeakPolarHBondContact O-CG 3.02Å; M1273-E1277 PolarHBondContact O-N 2.96Å
1274L57.1Low61.6Low70 Ų7087.7 Ų87.737%0.36642%0.419SS..Hα-helixtrans-10117.9155.1-58.2157.7000111.9E1270 K1271 E1277 I1278E1270-L1274 WeakPolarHBondContact O-CA 3.17Å; E1270-L1274 WeakPolarHBondContact O-CB 3.35Å; E1270-L1274 VanDerWaalsContact O-CD1 3.31Å; E1270-L1274 WeakPolarHBondContact O-CD1 3.35Å; E1270-L1274 WeakPolarHBondContact O-CG 3.16Å; E1270-L1274 PolarHBondContact O-N 3Å; K1271-L1274 CarbonylContact O-C 3.55Å; K1271-L1274 VanDerWaalsContact O-C 3.28Å; L1274-E1277 HydrophobicContact CD2-CB 4.13Å; L1274-E1277 VanDerWaalsContact CD2-OE2 3.23Å; L1274-E1277 WeakPolarHBondContact CD2-OE2 3.45Å; L1274-I1278 WeakPolarHBondContact O-CB 3.5Å; L1274-I1278 WeakPolarHBondContact O-CD1 3.42Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.32Å
1275Q62.9Low61.3Low43 Ų4388 Ų8820%0.20142%0.421CS..Hα-helixtrans-109.5-27.3153.3-147.463.569.500107.7K1271 T1272 I1278 D1279K1271-Q1275 VanDerWaalsContact C-N 3.28Å; K1271-Q1275 VanDerWaalsContact O-CA 3.29Å; K1271-Q1275 WeakPolarHBondContact O-CA 3.01Å; K1271-Q1275 WeakPolarHBondContact O-CB 3.11Å; K1271-Q1275 PolarHBondContact O-N 3.09Å; T1272-Q1275 HydrophobicContact CG2-CB 4.34Å; Q1275-I1278 CarbonylContact O-C 3.56Å; Q1275-I1278 PolarHBondContact O-N 3.43Å; Q1275-D1279 WeakPolarHBondContact CG-OD2 3.22Å; Q1275-D1279 PolarHBondContact NE2-OD1 2.63Å; Q1275-D1279 VanDerWaalsContact O-CA 3.24Å; Q1275-D1279 WeakPolarHBondContact O-CA 3.36Å; Q1275-D1279 WeakPolarHBondContact O-CB 3.38Å; Q1275-D1279 PolarHBondContact O-N 3.42Å
1276N68.1Low61.5Low87 Ų8787.9 Ų87.947%0.46542%0.421SS..Hα-helixtrans-73.3-51.5162.2-6818.6000108.9T1272 I1278 D1279 E1280T1272-N1276 WeakPolarHBondContact O-CB 3.4Å; T1272-N1276 PolarHBondContact O-N 3.08Å; T1272-N1276 PolarHBondContact O-OD1 3Å; N1276-I1278 PolarHBondContact O-N 3.42Å; N1276-I1278 VanDerWaalsContact O-N 3.07Å; N1276-D1279 CarbonylContact O-C 3.52Å; N1276-D1279 WeakPolarHBondContact O-CA 3.21Å; N1276-D1279 PolarHBondContact O-N 2.79Å; N1276-E1280 VanDerWaalsContact O-CA 3.31Å; N1276-E1280 WeakPolarHBondContact O-CA 3.25Å; N1276-E1280 WeakPolarHBondContact O-CB 3.1Å; N1276-E1280 VanDerWaalsContact O-CG 3.23Å; N1276-E1280 WeakPolarHBondContact O-CG 3.27Å; N1276-E1280 PolarHBondContact O-N 2.84Å
1277E60.4Low61.7Low72 Ų7283.2 Ų83.234%0.33641%0.408SS..Hα-helixtrans-63.7-14.7168.3-71.2176.5112.600113M1273 L1274 L1281M1273-E1277 WeakPolarHBondContact O-CA 2.91Å; M1273-E1277 WeakPolarHBondContact O-CB 3.45Å; M1273-E1277 WeakPolarHBondContact O-CG 3.02Å; M1273-E1277 PolarHBondContact O-N 2.96Å; L1274-E1277 HydrophobicContact CD2-CB 4.13Å; L1274-E1277 VanDerWaalsContact CD2-OE2 3.23Å; L1274-E1277 WeakPolarHBondContact CD2-OE2 3.45Å; E1277-L1281 WeakPolarHBondContact O-CA 3.48Å; E1277-L1281 WeakPolarHBondContact O-CB 3.22Å; E1277-L1281 WeakPolarHBondContact O-CD1 2.97Å; E1277-L1281 WeakPolarHBondContact O-CG 3.36Å; E1277-L1281 PolarHBondContact O-N 2.87Å
1278I60Low61.6Low71 Ų7184.4 Ų84.436%0.36441%0.411SS..Hα-helixtrans-100.5-0.9167-63.3176.9000112.5L1274 Q1275 N1276 R1282L1274-I1278 WeakPolarHBondContact O-CB 3.5Å; L1274-I1278 WeakPolarHBondContact O-CD1 3.42Å; L1274-I1278 WeakPolarHBondContact O-CG1 3.32Å; Q1275-I1278 CarbonylContact O-C 3.56Å; Q1275-I1278 PolarHBondContact O-N 3.43Å; N1276-I1278 PolarHBondContact O-N 3.42Å; N1276-I1278 VanDerWaalsContact O-N 3.07Å; I1278-R1282 HydrophobicContact CG2-CG 4.31Å; I1278-R1282 VanDerWaalsContact O-CA 3.31Å; I1278-R1282 WeakPolarHBondContact O-CA 2.96Å; I1278-R1282 WeakPolarHBondContact O-CB 3.28Å; I1278-R1282 WeakPolarHBondContact O-CD 3.23Å; I1278-R1282 WeakPolarHBondContact O-CG 3.31Å; I1278-R1282 PolarHBondContact O-N 3.47Å
1279D69.4Low61.6Low72 Ų7288.1 Ų88.139%0.38542%0.423SS..Hα-helixtrans-119.711.2170.4-55.3-12.1000110.3Q1275 N1276 R1282 S1283Q1275-D1279 WeakPolarHBondContact CG-OD2 3.22Å; Q1275-D1279 PolarHBondContact NE2-OD1 2.63Å; Q1275-D1279 VanDerWaalsContact O-CA 3.24Å; Q1275-D1279 WeakPolarHBondContact O-CA 3.36Å; Q1275-D1279 WeakPolarHBondContact O-CB 3.38Å; Q1275-D1279 PolarHBondContact O-N 3.42Å; N1276-D1279 CarbonylContact O-C 3.52Å; N1276-D1279 WeakPolarHBondContact O-CA 3.21Å; N1276-D1279 PolarHBondContact O-N 2.79Å; D1279-R1282 IonicContact OD1-CZ 3.96Å; D1279-R1282 IonicContact OD1-NE 2.75Å; D1279-R1282 IonicContact OD1-NH1 3.84Å; D1279-R1282 PolarHBondContact OD1-NH1 2.96Å; D1279-S1283 WeakPolarHBondContact O-CA 3.17Å; D1279-S1283 WeakPolarHBondContact O-CB 3.31Å; D1279-S1283 PolarHBondContact O-N 2.96Å
1280E67.1Low61.8Low111 Ų11186.5 Ų86.552%0.51942%0.419SS..Hα-helixtrans-125.4-26.5167.3-67.5166.1-165.300108.9N1276 S1283 M1284N1276-E1280 VanDerWaalsContact O-CA 3.31Å; N1276-E1280 WeakPolarHBondContact O-CA 3.25Å; N1276-E1280 WeakPolarHBondContact O-CB 3.1Å; N1276-E1280 VanDerWaalsContact O-CG 3.23Å; N1276-E1280 WeakPolarHBondContact O-CG 3.27Å; N1276-E1280 PolarHBondContact O-N 2.84Å; E1280-S1283 CarbonylContact O-C 3.51Å; E1280-M1284 WeakPolarHBondContact O-CA 3.27Å; E1280-M1284 WeakPolarHBondContact O-CB 3.29Å; E1280-M1284 WeakPolarHBondContact O-CG 3.14Å; E1280-M1284 PolarHBondContact O-N 3.47Å
1281L58.6Low61.9Low107 Ų10785.9 Ų85.956%0.5642%0.423SS*.SBendtrans-88.4-9.2148.9-59.5169.8000113E1277 M1284 E1285E1277-L1281 WeakPolarHBondContact O-CA 3.48Å; E1277-L1281 WeakPolarHBondContact O-CB 3.22Å; E1277-L1281 WeakPolarHBondContact O-CD1 2.97Å; E1277-L1281 WeakPolarHBondContact O-CG 3.36Å; E1277-L1281 PolarHBondContact O-N 2.87Å; L1281-M1284 HydrophobicContact CD2-CB 4.44Å; L1281-E1285 WeakPolarHBondContact O-CA 3.4Å; L1281-E1285 WeakPolarHBondContact O-CB 3.44Å; L1281-E1285 PolarHBondContact O-N 3.34Å
1282R64.8Low61.7Low117 Ų11785.7 Ų85.744%0.44242%0.422SS..SBendtrans-95.3-19.6149.8-65.5163-165.4150.5-5.9112.8I1278 D1279 M1284 E1285 E1286I1278-R1282 HydrophobicContact CG2-CG 4.31Å; I1278-R1282 VanDerWaalsContact O-CA 3.31Å; I1278-R1282 WeakPolarHBondContact O-CA 2.96Å; I1278-R1282 WeakPolarHBondContact O-CB 3.28Å; I1278-R1282 WeakPolarHBondContact O-CD 3.23Å; I1278-R1282 WeakPolarHBondContact O-CG 3.31Å; I1278-R1282 PolarHBondContact O-N 3.47Å; D1279-R1282 IonicContact OD1-CZ 3.96Å; D1279-R1282 IonicContact OD1-NE 2.75Å; D1279-R1282 IonicContact OD1-NH1 3.84Å; D1279-R1282 PolarHBondContact OD1-NH1 2.96Å; R1282-M1284 PolarHBondContact O-N 3.35Å; R1282-E1285 HydrophobicContact CB-CB 4.44Å; R1282-E1285 HydrophobicContact CG-CB 4.45Å; R1282-E1285 CarbonylContact O-C 3.32Å; R1282-E1285 PolarHBondContact O-N 2.83Å; R1282-E1286 WeakPolarHBondContact O-CA 3.31Å; R1282-E1286 WeakPolarHBondContact O-CB 3.41Å; R1282-E1286 PolarHBondContact O-N 2.85Å
1283S68.6Low61.6Low47 Ų4783.7 Ų83.733%0.32941%0.413SS..SBendtrans-80.9-2.6159.5-172.50000111.3D1279 E1280 N1287D1279-S1283 WeakPolarHBondContact O-CA 3.17Å; D1279-S1283 WeakPolarHBondContact O-CB 3.31Å; D1279-S1283 PolarHBondContact O-N 2.96Å; E1280-S1283 CarbonylContact O-C 3.51Å; S1283-N1287 WeakPolarHBondContact O-CA 3.24Å; S1283-N1287 WeakPolarHBondContact O-CB 3.48Å; S1283-N1287 VanDerWaalsContact O-CG 3.27Å; S1283-N1287 PolarHBondContact O-N 3.32Å; S1283-N1287 PolarHBondContact O-ND2 3.39Å; S1283-N1287 PolarHBondContact OG-ND2 3.36Å
1284M64.3Low61.4Low84 Ų8485.9 Ų85.941%0.41442%0.417SS..SBendtrans-104.6-18.2156.9-75.718046.200112.6E1280 L1281 R1282 N1287 E1288E1280-M1284 WeakPolarHBondContact O-CA 3.27Å; E1280-M1284 WeakPolarHBondContact O-CB 3.29Å; E1280-M1284 WeakPolarHBondContact O-CG 3.14Å; E1280-M1284 PolarHBondContact O-N 3.47Å; L1281-M1284 HydrophobicContact CD2-CB 4.44Å; R1282-M1284 PolarHBondContact O-N 3.35Å; M1284-N1287 CarbonylContact O-C 3.56Å; M1284-E1288 VanDerWaalsContact O-CA 3.26Å; M1284-E1288 WeakPolarHBondContact O-CA 3.05Å; M1284-E1288 WeakPolarHBondContact O-CB 3.27Å; M1284-E1288 WeakPolarHBondContact O-CG 3.42Å; M1284-E1288 PolarHBondContact O-N 2.91Å
1285E51.8Low61.3Low66 Ų6688.3 Ų88.331%0.30843%0.427SS..SBendtrans-85.710.5157.5-152.2-149.3157.800111.6L1281 R1282 R1289L1281-E1285 WeakPolarHBondContact O-CA 3.4Å; L1281-E1285 WeakPolarHBondContact O-CB 3.44Å; L1281-E1285 PolarHBondContact O-N 3.34Å; R1282-E1285 HydrophobicContact CB-CB 4.44Å; R1282-E1285 HydrophobicContact CG-CB 4.45Å; R1282-E1285 CarbonylContact O-C 3.32Å; R1282-E1285 PolarHBondContact O-N 2.83Å; E1285-R1289 VanDerWaalsContact CD-NH2 3.31Å; E1285-R1289 HydrophobicContact CG-CG 4.48Å; E1285-R1289 WeakPolarHBondContact O-CA 3.41Å; E1285-R1289 WeakPolarHBondContact O-CB 3.42Å; E1285-R1289 WeakPolarHBondContact O-CD 3.48Å; E1285-R1289 WeakPolarHBondContact O-CG 3.45Å; E1285-R1289 PolarHBondContact O-N 3.43Å; E1285-R1289 IonicContact OE1-CZ 2.76Å; E1285-R1289 IonicContact OE1-NE 3.97Å; E1285-R1289 PolarHBondContact OE1-NE 3.34Å; E1285-R1289 IonicContact OE1-NH2 3.68Å; E1285-R1289 PolarHBondContact OE1-NH2 2.85Å; E1285-R1289 IonicContact OE2-CZ 2.73Å; E1285-R1289 IonicContact OE2-NE 3.47Å; E1285-R1289 IonicContact OE2-NH2 2.61Å; E1285-R1289 PolarHBondContact OE2-NH2 3.3Å
1286E60.6Low60.8Low119 Ų11990.2 Ų90.256%0.55644%0.436SS*.SBendtrans-141.1-7.6176.5-165.2175.3-123.700110R1282 R1289 M1290R1282-E1286 WeakPolarHBondContact O-CA 3.31Å; R1282-E1286 WeakPolarHBondContact O-CB 3.41Å; R1282-E1286 PolarHBondContact O-N 2.85Å; E1286-R1289 VanDerWaalsContact CA-N 3.34Å; E1286-M1290 VanDerWaalsContact C-N 3.32Å; E1286-M1290 HydrophobicContact CG-CG 4.39Å; E1286-M1290 VanDerWaalsContact O-CA 3.3Å; E1286-M1290 WeakPolarHBondContact O-CA 3.19Å; E1286-M1290 WeakPolarHBondContact O-CB 3.31Å; E1286-M1290 WeakPolarHBondContact O-CG 3.47Å; E1286-M1290 PolarHBondContact O-N 3Å
1287N63.2Low60.6Low65 Ų6592.5 Ų92.535%0.34844%0.442SS..SBendtrans-91.4-3.9139.2-71.7-77.2000112S1283 M1284 A1291 R1913S1283-N1287 WeakPolarHBondContact O-CA 3.24Å; S1283-N1287 WeakPolarHBondContact O-CB 3.48Å; S1283-N1287 VanDerWaalsContact O-CG 3.27Å; S1283-N1287 PolarHBondContact O-N 3.32Å; S1283-N1287 PolarHBondContact O-ND2 3.39Å; S1283-N1287 PolarHBondContact OG-ND2 3.36Å; M1284-N1287 CarbonylContact O-C 3.56Å; N1287-A1291 VanDerWaalsContact C-N 3.32Å; N1287-A1291 WeakPolarHBondContact O-CA 3.33Å; N1287-A1291 WeakPolarHBondContact O-CB 3.42Å; N1287-A1291 PolarHBondContact O-N 3.14Å; N1287-R1913 PolarHBondContact ND2-NH2 3.01Å
1288E53.3Low60.5Low106 Ų10693.6 Ų93.650%0.49545%0.447SS..SBendtrans-109.8-6156.8-72.6-163.3118.900112.3M1284 K1292M1284-E1288 VanDerWaalsContact O-CA 3.26Å; M1284-E1288 WeakPolarHBondContact O-CA 3.05Å; M1284-E1288 WeakPolarHBondContact O-CB 3.27Å; M1284-E1288 WeakPolarHBondContact O-CG 3.42Å; M1284-E1288 PolarHBondContact O-N 2.91Å; E1288-K1292 VanDerWaalsContact C-N 3.29Å; E1288-K1292 VanDerWaalsContact O-CA 3.25Å; E1288-K1292 WeakPolarHBondContact O-CA 3.43Å; E1288-K1292 WeakPolarHBondContact O-CB 3.48Å; E1288-K1292 VanDerWaalsContact O-CD 3.27Å; E1288-K1292 WeakPolarHBondContact O-CD 3.47Å; E1288-K1292 WeakPolarHBondContact O-CG 3.3Å; E1288-K1292 PolarHBondContact O-N 2.91Å
1289R58.9Low60.3Low141 Ų14194.4 Ų94.453%0.53245%0.451SS..SBendtrans-102.95.3151.6-66.6165.8-165.9-172.610.2112.2E1285 E1286 K1292 A1293E1285-R1289 VanDerWaalsContact CD-NH2 3.31Å; E1285-R1289 HydrophobicContact CG-CG 4.48Å; E1285-R1289 WeakPolarHBondContact O-CA 3.41Å; E1285-R1289 WeakPolarHBondContact O-CB 3.42Å; E1285-R1289 WeakPolarHBondContact O-CD 3.48Å; E1285-R1289 WeakPolarHBondContact O-CG 3.45Å; E1285-R1289 PolarHBondContact O-N 3.43Å; E1285-R1289 IonicContact OE1-CZ 2.76Å; E1285-R1289 IonicContact OE1-NE 3.97Å; E1285-R1289 PolarHBondContact OE1-NE 3.34Å; E1285-R1289 IonicContact OE1-NH2 3.68Å; E1285-R1289 PolarHBondContact OE1-NH2 2.85Å; E1285-R1289 IonicContact OE2-CZ 2.73Å; E1285-R1289 IonicContact OE2-NE 3.47Å; E1285-R1289 IonicContact OE2-NH2 2.61Å; E1285-R1289 PolarHBondContact OE2-NH2 3.3Å; E1286-R1289 VanDerWaalsContact CA-N 3.34Å; R1289-K1292 CarbonylContact O-C 3.48Å; R1289-A1293 WeakPolarHBondContact O-CA 3.47Å; R1289-A1293 WeakPolarHBondContact O-CB 3.25Å; R1289-A1293 PolarHBondContact O-N 2.93Å
1290M68.5Low59.9Low120 Ų12096.4 Ų96.459%0.59146%0.456SS*.SBendtrans-116.64.1150.2-60.7-143.8-67.800113E1286 A1293 Y1294E1286-M1290 VanDerWaalsContact C-N 3.32Å; E1286-M1290 HydrophobicContact CG-CG 4.39Å; E1286-M1290 VanDerWaalsContact O-CA 3.3Å; E1286-M1290 WeakPolarHBondContact O-CA 3.19Å; E1286-M1290 WeakPolarHBondContact O-CB 3.31Å; E1286-M1290 WeakPolarHBondContact O-CG 3.47Å; E1286-M1290 PolarHBondContact O-N 3Å; M1290-A1293 HydrophobicContact CG-CB 4.44Å; M1290-A1293 CarbonylContact O-C 3.45Å; M1290-Y1294 WeakPolarHBondContact O-CA 3.44Å; M1290-Y1294 WeakPolarHBondContact O-CB 3.5Å; M1290-Y1294 PolarHBondContact O-N 3.44Å
1291A56.3Low59.5Low42 Ų4295.6 Ų95.635%0.34745%0.453SS..SBendtrans-104.1-7.1147.900000113.1N1287 Q1295N1287-A1291 VanDerWaalsContact C-N 3.32Å; N1287-A1291 WeakPolarHBondContact O-CA 3.33Å; N1287-A1291 WeakPolarHBondContact O-CB 3.42Å; N1287-A1291 PolarHBondContact O-N 3.14Å; A1291-Q1295 VanDerWaalsContact O-CA 3.3Å; A1291-Q1295 WeakPolarHBondContact O-CA 3.19Å; A1291-Q1295 WeakPolarHBondContact O-CB 3.37Å; A1291-Q1295 WeakPolarHBondContact O-CG 3.45Å; A1291-Q1295 PolarHBondContact O-N 2.78Å
1292K54.6Low59.1Low98 Ų9893.1 Ų93.143%0.42645%0.448SS..SBendtrans-107.115.7148.2-55.4160.5-172.81550112.2E1288 R1289 E1296E1288-K1292 VanDerWaalsContact C-N 3.29Å; E1288-K1292 VanDerWaalsContact O-CA 3.25Å; E1288-K1292 WeakPolarHBondContact O-CA 3.43Å; E1288-K1292 WeakPolarHBondContact O-CB 3.48Å; E1288-K1292 VanDerWaalsContact O-CD 3.27Å; E1288-K1292 WeakPolarHBondContact O-CD 3.47Å; E1288-K1292 WeakPolarHBondContact O-CG 3.3Å; E1288-K1292 PolarHBondContact O-N 2.91Å; R1289-K1292 CarbonylContact O-C 3.48Å; K1292-E1296 WeakPolarHBondContact O-CA 3.21Å; K1292-E1296 WeakPolarHBondContact O-CB 3.29Å; K1292-E1296 WeakPolarHBondContact O-CG 3.39Å; K1292-E1296 PolarHBondContact O-N 2.94Å
1293A60.6Low58.6Low30 Ų3091.9 Ų91.925%0.24845%0.447CS..SBendtrans-124.417.3146.400000111.9R1289 M1290 E1296 K1297R1289-A1293 WeakPolarHBondContact O-CA 3.47Å; R1289-A1293 WeakPolarHBondContact O-CB 3.25Å; R1289-A1293 PolarHBondContact O-N 2.93Å; M1290-A1293 HydrophobicContact CG-CB 4.44Å; M1290-A1293 CarbonylContact O-C 3.45Å; A1293-E1296 HydrophobicContact CB-CB 4.42Å; A1293-K1297 WeakPolarHBondContact O-CB 3.18Å; A1293-K1297 VanDerWaalsContact O-CG 3.23Å; A1293-K1297 WeakPolarHBondContact O-CG 3.02Å; A1293-K1297 PolarHBondContact O-N 2.97Å; A1293-K1297 VanDerWaalsContact O-N 3.13Å
1294Y60.6Low58.5Low135 Ų13594.8 Ų94.853%0.52945%0.454SS..SBendtrans-113.4-19.2148.6-172.5-100.6000111.1M1290 K1297 Q1298M1290-Y1294 WeakPolarHBondContact O-CA 3.44Å; M1290-Y1294 WeakPolarHBondContact O-CB 3.5Å; M1290-Y1294 PolarHBondContact O-N 3.44Å; Y1294-K1297 CarbonylContact O-C 3.56Å; Y1294-Q1298 VanDerWaalsContact CZ-NE2 3.34Å; Y1294-Q1298 WeakPolarHBondContact O-CA 3.29Å; Y1294-Q1298 WeakPolarHBondContact O-CB 3.33Å; Y1294-Q1298 WeakPolarHBondContact O-CG 3.06Å; Y1294-Q1298 PolarHBondContact O-N 2.67Å; Y1294-Q1298 PolarHBondContact OH-NE2 3.04Å
1295Q54.2Low58.2Low122 Ų12299.1 Ų99.157%0.5747%0.466SS*.SBendtrans-94.70.4150.7-63.3179.6-2.400113.5A1291 L1299A1291-Q1295 VanDerWaalsContact O-CA 3.3Å; A1291-Q1295 WeakPolarHBondContact O-CA 3.19Å; A1291-Q1295 WeakPolarHBondContact O-CB 3.37Å; A1291-Q1295 WeakPolarHBondContact O-CG 3.45Å; A1291-Q1295 PolarHBondContact O-N 2.78Å; Q1295-L1299 VanDerWaalsContact C-N 3.3Å; Q1295-L1299 WeakPolarHBondContact O-CA 3.49Å; Q1295-L1299 WeakPolarHBondContact O-CB 3.39Å; Q1295-L1299 VanDerWaalsContact O-CD1 3.24Å; Q1295-L1299 WeakPolarHBondContact O-CD1 3.05Å; Q1295-L1299 PolarHBondContact O-N 3.19Å
1296E53.8Low58.1Low82 Ų8297.7 Ų97.738%0.38347%0.465SS..SBendtrans-11419.6146.9-61.6171.7-170.800111.1K1292 A1293 L1299 K1300K1292-E1296 WeakPolarHBondContact O-CA 3.21Å; K1292-E1296 WeakPolarHBondContact O-CB 3.29Å; K1292-E1296 WeakPolarHBondContact O-CG 3.39Å; K1292-E1296 PolarHBondContact O-N 2.94Å; A1293-E1296 HydrophobicContact CB-CB 4.42Å; E1296-L1299 HydrophobicContact CB-CB 4.32Å; E1296-L1299 HydrophobicContact CG-CB 4.25Å; E1296-K1300 VanDerWaalsContact C-N 3.27Å; E1296-K1300 HydrophobicContact CB-CD 4.44Å; E1296-K1300 HydrophobicContact CB-CG 4.39Å; E1296-K1300 WeakPolarHBondContact O-CB 3.39Å; E1296-K1300 WeakPolarHBondContact O-CD 3.37Å; E1296-K1300 WeakPolarHBondContact O-CG 3.29Å; E1296-K1300 PolarHBondContact O-N 2.88Å; E1296-K1300 VanDerWaalsContact O-N 3.13Å; E1296-K1300 IonicContact OE2-NZ 3.14Å; E1296-K1300 PolarHBondContact OE2-NZ 2.73Å
1297K64Low58.1Low136 Ų13693.4 Ų93.459%0.59145%0.45SS*.SBendtrans-108.8-8.9143.2-85179.1171.5178.40111.9A1293 Y1294 K1300 Q1301A1293-K1297 WeakPolarHBondContact O-CB 3.18Å; A1293-K1297 VanDerWaalsContact O-CG 3.23Å; A1293-K1297 WeakPolarHBondContact O-CG 3.02Å; A1293-K1297 PolarHBondContact O-N 2.97Å; A1293-K1297 VanDerWaalsContact O-N 3.13Å; Y1294-K1297 CarbonylContact O-C 3.56Å; K1297-K1300 CarbonylContact O-C 3.28Å; K1297-Q1301 WeakPolarHBondContact O-CA 3.45Å; K1297-Q1301 WeakPolarHBondContact O-CB 3.27Å; K1297-Q1301 WeakPolarHBondContact O-CG 3.25Å; K1297-Q1301 PolarHBondContact O-N 3.48Å; K1297-Q1301 PolarHBondContact O-OE1 2.89Å
1298Q58.2Low57.6Low94 Ų9495.2 Ų95.244%0.43946%0.456SS..SBendtrans-98.9-20.4158.5-67.7-175.118.800112Y1294 Q1301 A1302Y1294-Q1298 VanDerWaalsContact CZ-NE2 3.34Å; Y1294-Q1298 WeakPolarHBondContact O-CA 3.29Å; Y1294-Q1298 WeakPolarHBondContact O-CB 3.33Å; Y1294-Q1298 WeakPolarHBondContact O-CG 3.06Å; Y1294-Q1298 PolarHBondContact O-N 2.67Å; Y1294-Q1298 PolarHBondContact OH-NE2 3.04Å; Q1298-Q1301 CarbonylContact O-C 3.19Å; Q1298-A1302 WeakPolarHBondContact O-CA 3.46Å; Q1298-A1302 WeakPolarHBondContact O-CB 3.42Å; Q1298-A1302 PolarHBondContact O-N 3.16Å
1299L54.2Low57.5Low88 Ų8892 Ų9246%0.46145%0.447SS..SBendtrans-73.2-52.7148.7-9767.5000109Q1295 E1296 Q1301 A1302 E1303Q1295-L1299 VanDerWaalsContact C-N 3.3Å; Q1295-L1299 WeakPolarHBondContact O-CA 3.49Å; Q1295-L1299 WeakPolarHBondContact O-CB 3.39Å; Q1295-L1299 VanDerWaalsContact O-CD1 3.24Å; Q1295-L1299 WeakPolarHBondContact O-CD1 3.05Å; Q1295-L1299 PolarHBondContact O-N 3.19Å; E1296-L1299 HydrophobicContact CB-CB 4.32Å; E1296-L1299 HydrophobicContact CG-CB 4.25Å; L1299-Q1301 PolarHBondContact O-N 3.31Å; L1299-A1302 CarbonylContact O-C 3.42Å; L1299-A1302 VanDerWaalsContact O-C 3.25Å; L1299-A1302 WeakPolarHBondContact O-CA 3.23Å; L1299-A1302 PolarHBondContact O-N 2.77Å; L1299-E1303 VanDerWaalsContact C-OE2 3.25Å; L1299-E1303 HydrophobicContact CB-CG 4.02Å; L1299-E1303 HydrophobicContact CG-CG 4.28Å; L1299-E1303 VanDerWaalsContact O-CA 3.31Å; L1299-E1303 WeakPolarHBondContact O-CA 3.36Å; L1299-E1303 WeakPolarHBondContact O-CB 3.31Å; L1299-E1303 VanDerWaalsContact O-CG 3.23Å; L1299-E1303 WeakPolarHBondContact O-CG 3.16Å; L1299-E1303 PolarHBondContact O-N 3.33Å
1300K61.6Low57.2Low114 Ų11489 Ų8950%0.49644%0.442SS..THydrogen-bonded Turntrans-72.317.9170.6-53.8167179.61300115.3E1296 K1297 E1303 F1304E1296-K1300 VanDerWaalsContact C-N 3.27Å; E1296-K1300 HydrophobicContact CB-CD 4.44Å; E1296-K1300 HydrophobicContact CB-CG 4.39Å; E1296-K1300 WeakPolarHBondContact O-CB 3.39Å; E1296-K1300 WeakPolarHBondContact O-CD 3.37Å; E1296-K1300 WeakPolarHBondContact O-CG 3.29Å; E1296-K1300 PolarHBondContact O-N 2.88Å; E1296-K1300 VanDerWaalsContact O-N 3.13Å; E1296-K1300 IonicContact OE2-NZ 3.14Å; E1296-K1300 PolarHBondContact OE2-NZ 2.73Å; K1297-K1300 CarbonylContact O-C 3.28Å; K1300-E1303 WeakPolarHBondContact CG-OE2 3.46Å; K1300-E1303 PolarHBondContact N-OE2 3.47Å; K1300-F1304 WeakPolarHBondContact O-CB 3.16Å
1301Q59Low56.6Low94 Ų9489.7 Ų89.744%0.43944%0.443SS..THydrogen-bonded Turntrans-130.414154.6-67.8177.3-4600113.4K1297 Q1298 L1299 R1305K1297-Q1301 WeakPolarHBondContact O-CA 3.45Å; K1297-Q1301 WeakPolarHBondContact O-CB 3.27Å; K1297-Q1301 WeakPolarHBondContact O-CG 3.25Å; K1297-Q1301 PolarHBondContact O-N 3.48Å; K1297-Q1301 PolarHBondContact O-OE1 2.89Å; Q1298-Q1301 CarbonylContact O-C 3.19Å; L1299-Q1301 PolarHBondContact O-N 3.31Å; Q1301-R1305 WeakPolarHBondContact O-CB 3.42Å; Q1301-R1305 WeakPolarHBondContact O-CD 3.35Å; Q1301-R1305 WeakPolarHBondContact O-CG 3.15Å; Q1301-R1305 PolarHBondContact O-N 3.42Å; Q1301-R1305 VanDerWaalsContact O-N 3.09Å
1302A50.8Low56.5Low55 Ų5588 Ų8846%0.45543%0.43SS..THydrogen-bonded Turntrans-127.87.7161.400000112.2Q1298 L1299 A1306Q1298-A1302 WeakPolarHBondContact O-CA 3.46Å; Q1298-A1302 WeakPolarHBondContact O-CB 3.42Å; Q1298-A1302 PolarHBondContact O-N 3.16Å; L1299-A1302 CarbonylContact O-C 3.42Å; L1299-A1302 VanDerWaalsContact O-C 3.25Å; L1299-A1302 WeakPolarHBondContact O-CA 3.23Å; L1299-A1302 PolarHBondContact O-N 2.77Å; A1302-A1306 WeakPolarHBondContact O-CA 3.31Å; A1302-A1306 WeakPolarHBondContact O-CB 3.44Å; A1302-A1306 PolarHBondContact O-N 3.19Å; A1302-A1306 VanDerWaalsContact O-N 3.09Å
1303E54.3Low56.3Low91 Ų9190.6 Ų90.643%0.42544%0.438SS..THydrogen-bonded Turntrans-128.8-8.3164.9-53169.8132.900107.4L1299 K1300 A1306 A1307L1299-E1303 VanDerWaalsContact C-OE2 3.25Å; L1299-E1303 HydrophobicContact CB-CG 4.02Å; L1299-E1303 HydrophobicContact CG-CG 4.28Å; L1299-E1303 VanDerWaalsContact O-CA 3.31Å; L1299-E1303 WeakPolarHBondContact O-CA 3.36Å; L1299-E1303 WeakPolarHBondContact O-CB 3.31Å; L1299-E1303 VanDerWaalsContact O-CG 3.23Å; L1299-E1303 WeakPolarHBondContact O-CG 3.16Å; L1299-E1303 PolarHBondContact O-N 3.33Å; K1300-E1303 WeakPolarHBondContact CG-OE2 3.46Å; K1300-E1303 PolarHBondContact N-OE2 3.47Å; E1303-A1306 CarbonylContact O-C 3.44Å; E1303-A1307 WeakPolarHBondContact O-CA 3.33Å; E1303-A1307 WeakPolarHBondContact O-CB 3.39Å; E1303-A1307 PolarHBondContact O-N 3.48Å
1304F66Low55.9Low109 Ų10994.3 Ų94.348%0.47845%0.453SS..SBendtrans-105.2-16.6149-167.8-88.7000112.2K1300 A1307 E1308K1300-F1304 WeakPolarHBondContact O-CB 3.16Å; F1304-A1307 CarbonylContact O-C 3.5Å; F1304-A1307 PolarHBondContact O-N 2.84Å; F1304-E1308 HydrophobicContact CD1-CG 4.02Å; F1304-E1308 VanDerWaalsContact CE1-CD 3.41Å; F1304-E1308 HydrophobicContact CE1-CG 3.76Å; F1304-E1308 WeakPolarHBondContact CE1-OE1 3.26Å; F1304-E1308 HydrophobicContact CZ-CG 4.28Å; F1304-E1308 WeakPolarHBondContact O-CB 3.38Å; F1304-E1308 WeakPolarHBondContact O-CG 3.46Å; F1304-E1308 PolarHBondContact O-N 2.8Å
1305R57.9Low55.6Low175 Ų17594.1 Ų94.166%0.6646%0.457SS*.THydrogen-bonded Turntrans-90.6-10.3153-66.1169.7-176.3158.4-3.4113.6Q1301 A1309Q1301-R1305 WeakPolarHBondContact O-CB 3.42Å; Q1301-R1305 WeakPolarHBondContact O-CD 3.35Å; Q1301-R1305 WeakPolarHBondContact O-CG 3.15Å; Q1301-R1305 PolarHBondContact O-N 3.42Å; Q1301-R1305 VanDerWaalsContact O-N 3.09Å; R1305-A1309 WeakPolarHBondContact O-CA 3.21Å; R1305-A1309 WeakPolarHBondContact O-CB 3.3Å; R1305-A1309 PolarHBondContact O-N 3.16Å
1306A49.2Very low55.4Low35 Ų3594.3 Ų94.329%0.28945%0.453SS..THydrogen-bonded Turntrans-109.528.9151.500000111.6A1302 E1303 A1309 L1310A1302-A1306 WeakPolarHBondContact O-CA 3.31Å; A1302-A1306 WeakPolarHBondContact O-CB 3.44Å; A1302-A1306 PolarHBondContact O-N 3.19Å; A1302-A1306 VanDerWaalsContact O-N 3.09Å; E1303-A1306 CarbonylContact O-C 3.44Å; A1306-A1309 HydrophobicContact CB-CB 4.46Å; A1306-L1310 VanDerWaalsContact C-N 3.29Å; A1306-L1310 WeakPolarHBondContact O-CB 3.23Å; A1306-L1310 WeakPolarHBondContact O-CD1 3.39Å; A1306-L1310 WeakPolarHBondContact O-CG 3.38Å; A1306-L1310 PolarHBondContact O-N 3.35Å
1307A60.7Low55.7Low30 Ų3092.3 Ų92.325%0.24845%0.451CS..THydrogen-bonded Turntrans-119.1-16144.600000112.4E1303 F1304 L1310 Q1311E1303-A1307 WeakPolarHBondContact O-CA 3.33Å; E1303-A1307 WeakPolarHBondContact O-CB 3.39Å; E1303-A1307 PolarHBondContact O-N 3.48Å; F1304-A1307 CarbonylContact O-C 3.5Å; F1304-A1307 PolarHBondContact O-N 2.84Å; A1307-L1310 HydrophobicContact CB-CB 4.46Å; A1307-L1310 PolarHBondContact O-N 3.01Å; A1307-Q1311 VanDerWaalsContact O-CA 3.32Å; A1307-Q1311 WeakPolarHBondContact O-CA 3.16Å; A1307-Q1311 WeakPolarHBondContact O-CB 3.47Å; A1307-Q1311 PolarHBondContact O-N 2.87Å
1308E53.4Low55.8Low103 Ų10390.7 Ų90.748%0.48145%0.446SS..THydrogen-bonded Turntrans-78.2-10.2149.5-65165141.100110.6F1304 G1312F1304-E1308 HydrophobicContact CD1-CG 4.02Å; F1304-E1308 VanDerWaalsContact CE1-CD 3.41Å; F1304-E1308 HydrophobicContact CE1-CG 3.76Å; F1304-E1308 WeakPolarHBondContact CE1-OE1 3.26Å; F1304-E1308 HydrophobicContact CZ-CG 4.28Å; F1304-E1308 WeakPolarHBondContact O-CB 3.38Å; F1304-E1308 WeakPolarHBondContact O-CG 3.46Å; F1304-E1308 PolarHBondContact O-N 2.8Å; E1308-G1312 VanDerWaalsContact C-N 3.35Å; E1308-G1312 WeakPolarHBondContact O-CA 3.49Å; E1308-G1312 PolarHBondContact O-N 3.33Å
1309A49.9Very low55.7Low37 Ų3790.8 Ų90.831%0.30645%0.446SS..THydrogen-bonded Turntrans-123.626.4160.500000113.1R1305 A1306 R1313R1305-A1309 WeakPolarHBondContact O-CA 3.21Å; R1305-A1309 WeakPolarHBondContact O-CB 3.3Å; R1305-A1309 PolarHBondContact O-N 3.16Å; A1306-A1309 HydrophobicContact CB-CB 4.46Å; A1309-R1313 WeakPolarHBondContact O-CB 3.23Å
1310L54.6Low56Low80 Ų8090.1 Ų90.142%0.41945%0.446SS..THydrogen-bonded Turntrans-113.2-32.9148.6-82.5168.8000111.2A1306 A1307 R1313 D1314A1306-L1310 VanDerWaalsContact C-N 3.29Å; A1306-L1310 WeakPolarHBondContact O-CB 3.23Å; A1306-L1310 WeakPolarHBondContact O-CD1 3.39Å; A1306-L1310 WeakPolarHBondContact O-CG 3.38Å; A1306-L1310 PolarHBondContact O-N 3.35Å; A1307-L1310 HydrophobicContact CB-CB 4.46Å; A1307-L1310 PolarHBondContact O-N 3.01Å; L1310-R1313 HydrophobicContact CD2-CB 3.94Å; L1310-R1313 HydrophobicContact CD2-CG 4.49Å; L1310-R1313 CarbonylContact O-C 3.15Å; L1310-R1313 WeakPolarHBondContact O-CA 3.23Å; L1310-R1313 WeakPolarHBondContact O-CB 3.28Å; L1310-R1313 PolarHBondContact O-N 3.32Å; L1310-D1314 PolarHBondContact O-N 3.37Å
1311Q54.9Low56.3Low133 Ų13390.3 Ų90.362%0.62145%0.448SS*.SBendtrans-72.4-35.9155.5-169.7178.9-1.600110.1A1307 R1313 D1314 E1315A1307-Q1311 VanDerWaalsContact O-CA 3.32Å; A1307-Q1311 WeakPolarHBondContact O-CA 3.16Å; A1307-Q1311 WeakPolarHBondContact O-CB 3.47Å; A1307-Q1311 PolarHBondContact O-N 2.87Å; Q1311-R1313 PolarHBondContact O-N 3.22Å; Q1311-D1314 CarbonylContact O-C 3.23Å; Q1311-D1314 VanDerWaalsContact O-C 3.28Å; Q1311-D1314 VanDerWaalsContact O-CA 3.24Å; Q1311-D1314 WeakPolarHBondContact O-CA 3.47Å; Q1311-D1314 VanDerWaalsContact O-CB 3.27Å; Q1311-D1314 WeakPolarHBondContact O-CB 3.26Å; Q1311-D1314 PolarHBondContact O-N 3.05Å; Q1311-E1315 PolarHBondContact O-N 2.87Å
1312G55Low56.7Low7 Ų789.5 Ų89.57%0.07245%0.447CS..THydrogen-bonded Turntrans-75.4-0.4158.900000113.5E1308 E1315 Y1316E1308-G1312 VanDerWaalsContact C-N 3.35Å; E1308-G1312 WeakPolarHBondContact O-CA 3.49Å; E1308-G1312 PolarHBondContact O-N 3.33Å; G1312-E1315 CarbonylContact O-C 3.34Å; G1312-Y1316 WeakPolarHBondContact O-CD2 3.28Å; G1312-Y1316 PolarHBondContact O-N 3.26Å
1313R48.7Very low57.2Low153 Ų15391.2 Ų91.258%0.57745%0.448SS*.THydrogen-bonded Turntrans-100.31.8156.2-149.6-166.372.4-173.51.8112.8A1309 L1310 Q1311 Y1316 A1317A1309-R1313 WeakPolarHBondContact O-CB 3.23Å; L1310-R1313 HydrophobicContact CD2-CB 3.94Å; L1310-R1313 HydrophobicContact CD2-CG 4.49Å; L1310-R1313 CarbonylContact O-C 3.15Å; L1310-R1313 WeakPolarHBondContact O-CA 3.23Å; L1310-R1313 WeakPolarHBondContact O-CB 3.28Å; L1310-R1313 PolarHBondContact O-N 3.32Å; Q1311-R1313 PolarHBondContact O-N 3.22Å; R1313-Y1316 CarbonylContact O-C 3.43Å; R1313-Y1316 VanDerWaalsContact O-C 3.3Å; R1313-A1317 VanDerWaalsContact O-CB 3.28Å; R1313-A1317 WeakPolarHBondContact O-CB 3.25Å; R1313-A1317 PolarHBondContact O-N 3.42Å
1314D53.8Low57.5Low107 Ų10790.6 Ų90.657%0.57245%0.445SS*.THydrogen-bonded Turntrans-90.1-24.9152.4-64.5-39.3000109L1310 Q1311 A1317 Q1318L1310-D1314 PolarHBondContact O-N 3.37Å; Q1311-D1314 CarbonylContact O-C 3.23Å; Q1311-D1314 VanDerWaalsContact O-C 3.28Å; Q1311-D1314 VanDerWaalsContact O-CA 3.24Å; Q1311-D1314 WeakPolarHBondContact O-CA 3.47Å; Q1311-D1314 VanDerWaalsContact O-CB 3.27Å; Q1311-D1314 WeakPolarHBondContact O-CB 3.26Å; Q1311-D1314 PolarHBondContact O-N 3.05Å; D1314-A1317 CarbonylContact O-C 3.51Å; D1314-A1317 WeakPolarHBondContact O-CA 3.37Å; D1314-A1317 PolarHBondContact O-N 3.45Å; D1314-Q1318 VanDerWaalsContact O-CB 3.31Å; D1314-Q1318 WeakPolarHBondContact O-CB 3.32Å; D1314-Q1318 PolarHBondContact O-N 2.79Å
1315E54Low57.9Low131 Ų13186.7 Ų86.761%0.61243%0.433SS*.Hα-helixtrans-81.9-18.5159.3-53.8-175.3146.900112.8Q1311 G1312 Q1319Q1311-E1315 PolarHBondContact O-N 2.87Å; G1312-E1315 CarbonylContact O-C 3.34Å; E1315-Q1319 WeakPolarHBondContact O-CA 3.47Å; E1315-Q1319 WeakPolarHBondContact O-CB 3.34Å; E1315-Q1319 WeakPolarHBondContact O-CG 3.3Å; E1315-Q1319 PolarHBondContact O-N 2.82Å
1316Y50.4Low58.2Low126 Ų12683 Ų8349%0.49442%0.423SS..Hα-helixtrans-92.67.9154.6-58.2-70.2000112.4G1312 R1313 Q1319 V1320G1312-Y1316 WeakPolarHBondContact O-CD2 3.28Å; G1312-Y1316 PolarHBondContact O-N 3.26Å; R1313-Y1316 CarbonylContact O-C 3.43Å; R1313-Y1316 VanDerWaalsContact O-C 3.3Å; Y1316-Q1319 HydrophobicContact CD1-CB 4.06Å; Y1316-Q1319 VanDerWaalsContact CE1-OE1 3.26Å; Y1316-V1320 WeakPolarHBondContact O-CB 3.5Å; Y1316-V1320 WeakPolarHBondContact O-CG2 3.46Å; Y1316-V1320 PolarHBondContact O-N 2.86Å; Y1316-V1320 VanDerWaalsContact O-N 3.07Å
1317A59.5Low59.1Low41 Ų4187.7 Ų87.734%0.33943%0.433SS..Hα-helixtrans-97.4-27.9156.700000109.7R1313 D1314 V1320 Q1321R1313-A1317 VanDerWaalsContact O-CB 3.28Å; R1313-A1317 WeakPolarHBondContact O-CB 3.25Å; R1313-A1317 PolarHBondContact O-N 3.42Å; D1314-A1317 CarbonylContact O-C 3.51Å; D1314-A1317 WeakPolarHBondContact O-CA 3.37Å; D1314-A1317 PolarHBondContact O-N 3.45Å; A1317-V1320 CarbonylContact O-C 3.54Å; A1317-V1320 PolarHBondContact O-N 2.96Å; A1317-Q1321 VanDerWaalsContact O-CB 3.3Å; A1317-Q1321 WeakPolarHBondContact O-CB 3.23Å; A1317-Q1321 WeakPolarHBondContact O-CG 3.26Å; A1317-Q1321 PolarHBondContact O-N 2.82Å
1318Q65.1Low59.6Low101 Ų10193 Ų9347%0.47245%0.453SS..Hα-helixtrans-77.7-38.4168-15062.868.600110.1D1314 Q1321 D1322D1314-Q1318 VanDerWaalsContact O-CB 3.31Å; D1314-Q1318 WeakPolarHBondContact O-CB 3.32Å; D1314-Q1318 PolarHBondContact O-N 2.79Å; Q1318-Q1321 CarbonylContact O-C 3.58Å; Q1318-Q1321 PolarHBondContact O-N 3.37Å; Q1318-D1322 WeakPolarHBondContact O-CA 3.49Å; Q1318-D1322 VanDerWaalsContact O-CB 3.26Å; Q1318-D1322 WeakPolarHBondContact O-CB 3.49Å; Q1318-D1322 PolarHBondContact O-N 2.8Å
1319Q57.7Low60.4Low96 Ų9695.7 Ų95.745%0.44946%0.459SS..Hα-helixtrans-80.2-9.2164.2-66.517432.900113.2E1315 Y1316 L1323E1315-Q1319 WeakPolarHBondContact O-CA 3.47Å; E1315-Q1319 WeakPolarHBondContact O-CB 3.34Å; E1315-Q1319 WeakPolarHBondContact O-CG 3.3Å; E1315-Q1319 PolarHBondContact O-N 2.82Å; Y1316-Q1319 HydrophobicContact CD1-CB 4.06Å; Y1316-Q1319 VanDerWaalsContact CE1-OE1 3.26Å; Q1319-L1323 WeakPolarHBondContact O-CA 3.43Å; Q1319-L1323 WeakPolarHBondContact O-CB 3.14Å; Q1319-L1323 VanDerWaalsContact O-CD1 3.29Å; Q1319-L1323 WeakPolarHBondContact O-CD1 3.39Å; Q1319-L1323 WeakPolarHBondContact O-CG 3.42Å; Q1319-L1323 PolarHBondContact O-N 3.15Å
1320V59.2Low60.8Low75 Ų7598.2 Ų98.246%0.45547%0.467SS..Hα-helixtrans-88-26.1159.5164.60000111.3Y1316 A1317 L1323 E1324Y1316-V1320 WeakPolarHBondContact O-CB 3.5Å; Y1316-V1320 WeakPolarHBondContact O-CG2 3.46Å; Y1316-V1320 PolarHBondContact O-N 2.86Å; Y1316-V1320 VanDerWaalsContact O-N 3.07Å; A1317-V1320 CarbonylContact O-C 3.54Å; A1317-V1320 PolarHBondContact O-N 2.96Å; V1320-L1323 CarbonylContact O-C 3.57Å; V1320-E1324 HydrophobicContact CG1-CG 4.34Å; V1320-E1324 WeakPolarHBondContact O-CA 3.28Å; V1320-E1324 WeakPolarHBondContact O-CB 3.48Å; V1320-E1324 WeakPolarHBondContact O-CG 3.28Å; V1320-E1324 PolarHBondContact O-N 2.95Å
1321Q68.3Low61.5Low117 Ų11798.3 Ų98.355%0.54747%0.47SS..Hα-helixtrans-73.1-29.9164.4-80-175-4.500111.9A1317 Q1318 E1324 A1325A1317-Q1321 VanDerWaalsContact O-CB 3.3Å; A1317-Q1321 WeakPolarHBondContact O-CB 3.23Å; A1317-Q1321 WeakPolarHBondContact O-CG 3.26Å; A1317-Q1321 PolarHBondContact O-N 2.82Å; Q1318-Q1321 CarbonylContact O-C 3.58Å; Q1318-Q1321 PolarHBondContact O-N 3.37Å; Q1321-E1324 CarbonylContact O-C 2.76Å; Q1321-A1325 WeakPolarHBondContact O-CA 3.23Å; Q1321-A1325 WeakPolarHBondContact O-CB 3.28Å; Q1321-A1325 PolarHBondContact O-N 2.64Å
1322D66.5Low62.3Low78 Ų7894.4 Ų94.442%0.41746%0.461SS..Hα-helixtrans-89.7-18.1172.6-71.1-38.5000111.9Q1318 Q1326Q1318-D1322 WeakPolarHBondContact O-CA 3.49Å; Q1318-D1322 VanDerWaalsContact O-CB 3.26Å; Q1318-D1322 WeakPolarHBondContact O-CB 3.49Å; Q1318-D1322 PolarHBondContact O-N 2.8Å; D1322-Q1326 WeakPolarHBondContact O-CA 3.2Å; D1322-Q1326 WeakPolarHBondContact O-CB 3.3Å; D1322-Q1326 WeakPolarHBondContact O-CG 3.4Å; D1322-Q1326 PolarHBondContact O-N 2.75Å
1323L61.3Low62.8Low91 Ų9199 Ų9948%0.47648%0.481SS..Hα-helixtrans-84.9-15.5160.7-73.7165000112.2Q1319 V1320 R1327Q1319-L1323 WeakPolarHBondContact O-CA 3.43Å; Q1319-L1323 WeakPolarHBondContact O-CB 3.14Å; Q1319-L1323 VanDerWaalsContact O-CD1 3.29Å; Q1319-L1323 WeakPolarHBondContact O-CD1 3.39Å; Q1319-L1323 WeakPolarHBondContact O-CG 3.42Å; Q1319-L1323 PolarHBondContact O-N 3.15Å; V1320-L1323 CarbonylContact O-C 3.57Å; L1323-R1327 WeakPolarHBondContact O-CA 3.38Å; L1323-R1327 WeakPolarHBondContact O-CB 3.39Å; L1323-R1327 PolarHBondContact O-N 2.76Å
1324E62.2Low63.5Low77 Ų7795.9 Ų95.936%0.3648%0.476SS..Hα-helixtrans-91.5-25.8166.5-76-159.7124.800111.8V1320 Q1321 R1327 Q1328V1320-E1324 HydrophobicContact CG1-CG 4.34Å; V1320-E1324 WeakPolarHBondContact O-CA 3.28Å; V1320-E1324 WeakPolarHBondContact O-CB 3.48Å; V1320-E1324 WeakPolarHBondContact O-CG 3.28Å; V1320-E1324 PolarHBondContact O-N 2.95Å; Q1321-E1324 CarbonylContact O-C 2.76Å; E1324-R1327 CarbonylContact O-C 3.56Å; E1324-R1327 PolarHBondContact O-N 3.47Å; E1324-R1327 IonicContact OE1-CZ 2.81Å; E1324-R1327 IonicContact OE1-NH1 2.65Å; E1324-R1327 PolarHBondContact OE1-NH1 2.85Å; E1324-R1327 IonicContact OE1-NH2 3.49Å; E1324-R1327 PolarHBondContact OE1-NH2 2.92Å; E1324-Q1328 WeakPolarHBondContact O-CB 3.48Å; E1324-Q1328 VanDerWaalsContact O-CG 3.27Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.49Å; E1324-Q1328 PolarHBondContact O-N 2.96Å
1325A72.7Confident64.3Low28 Ų2894.9 Ų94.923%0.23147%0.473CS..Hα-helixtrans-80.5-31.6165.300000110.6Q1321 Q1328 R1329Q1321-A1325 WeakPolarHBondContact O-CA 3.23Å; Q1321-A1325 WeakPolarHBondContact O-CB 3.28Å; Q1321-A1325 PolarHBondContact O-N 2.64Å; A1325-Q1328 CarbonylContact O-C 3.41Å; A1325-Q1328 PolarHBondContact O-N 2.84Å; A1325-R1329 WeakPolarHBondContact O-CB 3.48Å; A1325-R1329 VanDerWaalsContact O-CG 3.23Å; A1325-R1329 WeakPolarHBondContact O-CG 3.44Å; A1325-R1329 PolarHBondContact O-N 3.22Å
1326Q64.6Low65.2Low96 Ų9691.7 Ų91.745%0.44947%0.466SS..Hα-helixtrans-72.7-27.1159.7-73.2173.918.800111.2D1322 R1329 L1330D1322-Q1326 WeakPolarHBondContact O-CA 3.2Å; D1322-Q1326 WeakPolarHBondContact O-CB 3.3Å; D1322-Q1326 WeakPolarHBondContact O-CG 3.4Å; D1322-Q1326 PolarHBondContact O-N 2.75Å; Q1326-R1329 CarbonylContact O-C 3.56Å; Q1326-R1329 PolarHBondContact O-N 2.88Å; Q1326-L1330 WeakPolarHBondContact O-CA 3.27Å; Q1326-L1330 WeakPolarHBondContact O-CB 3.25Å; Q1326-L1330 WeakPolarHBondContact O-CD1 3.08Å; Q1326-L1330 WeakPolarHBondContact O-CG 3.33Å; Q1326-L1330 PolarHBondContact O-N 2.64Å
1327R69.3Low65.6Low134 Ų13489.9 Ų89.951%0.50646%0.464SS..Hα-helixtrans-70.4-35167.6-162.8179.273.5-132.5-7.5110.5L1323 E1324 L1330 V1331L1323-R1327 WeakPolarHBondContact O-CA 3.38Å; L1323-R1327 WeakPolarHBondContact O-CB 3.39Å; L1323-R1327 PolarHBondContact O-N 2.76Å; E1324-R1327 CarbonylContact O-C 3.56Å; E1324-R1327 PolarHBondContact O-N 3.47Å; E1324-R1327 IonicContact OE1-CZ 2.81Å; E1324-R1327 IonicContact OE1-NH1 2.65Å; E1324-R1327 PolarHBondContact OE1-NH1 2.85Å; E1324-R1327 IonicContact OE1-NH2 3.49Å; E1324-R1327 PolarHBondContact OE1-NH2 2.92Å; R1327-L1330 CarbonylContact O-C 3.55Å; R1327-L1330 PolarHBondContact O-N 2.84Å; R1327-V1331 HydrophobicContact CG-CG2 4.32Å; R1327-V1331 WeakPolarHBondContact O-CA 3.47Å; R1327-V1331 WeakPolarHBondContact O-CB 3.44Å; R1327-V1331 WeakPolarHBondContact O-CG2 3.44Å; R1327-V1331 PolarHBondContact O-N 2.82Å
1328Q70.9Confident66Low141 Ų14192.2 Ų92.266%0.65947%0.471SS*.Hα-helixtrans-72.8-32.2172.6-75.4177.922.400111.7E1324 A1325 A1332E1324-Q1328 WeakPolarHBondContact O-CB 3.48Å; E1324-Q1328 VanDerWaalsContact O-CG 3.27Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.49Å; E1324-Q1328 PolarHBondContact O-N 2.96Å; A1325-Q1328 CarbonylContact O-C 3.41Å; A1325-Q1328 PolarHBondContact O-N 2.84Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.49Å; Q1328-A1332 PolarHBondContact O-N 2.67Å
1329R70.6Confident66.3Low161 Ų16194 Ų9461%0.60848%0.479SS*.Hα-helixtrans-75.6-30.2169.2-69.9175.3-155.4175.810112.8A1325 Q1326 A1332 E1333A1325-R1329 WeakPolarHBondContact O-CB 3.48Å; A1325-R1329 VanDerWaalsContact O-CG 3.23Å; A1325-R1329 WeakPolarHBondContact O-CG 3.44Å; A1325-R1329 PolarHBondContact O-N 3.22Å; Q1326-R1329 CarbonylContact O-C 3.56Å; Q1326-R1329 PolarHBondContact O-N 2.88Å; R1329-A1332 CarbonylContact O-C 3.52Å; R1329-E1333 WeakPolarHBondContact O-CA 3.45Å; R1329-E1333 WeakPolarHBondContact O-CB 3.33Å; R1329-E1333 WeakPolarHBondContact O-CG 3.3Å; R1329-E1333 PolarHBondContact O-N 2.97Å
1330L57.4Low66.6Low89 Ų8994.8 Ų94.847%0.46648%0.483SS..Hα-helixtrans-83.2-14.8172.8-73.1164.1000111.8Q1326 R1327 E1333 N1334Q1326-L1330 WeakPolarHBondContact O-CA 3.27Å; Q1326-L1330 WeakPolarHBondContact O-CB 3.25Å; Q1326-L1330 WeakPolarHBondContact O-CD1 3.08Å; Q1326-L1330 WeakPolarHBondContact O-CG 3.33Å; Q1326-L1330 PolarHBondContact O-N 2.64Å; R1327-L1330 CarbonylContact O-C 3.55Å; R1327-L1330 PolarHBondContact O-N 2.84Å; L1330-E1333 WeakPolarHBondContact CD2-OE2 3.35Å; L1330-N1334 WeakPolarHBondContact O-CA 3.36Å; L1330-N1334 WeakPolarHBondContact O-CB 3.37Å; L1330-N1334 PolarHBondContact O-N 3.27Å; L1330-N1334 PolarHBondContact O-ND2 2.88Å
1331V69.1Low66.6Low82 Ų8295.2 Ų95.250%0.49748%0.482SS..Hα-helixtrans-87.3-37165.9165.50000110R1327 N1334 T1335R1327-V1331 HydrophobicContact CG-CG2 4.32Å; R1327-V1331 WeakPolarHBondContact O-CA 3.47Å; R1327-V1331 WeakPolarHBondContact O-CB 3.44Å; R1327-V1331 WeakPolarHBondContact O-CG2 3.44Å; R1327-V1331 PolarHBondContact O-N 2.82Å; V1331-N1334 CarbonylContact O-C 3.59Å; V1331-N1334 PolarHBondContact O-N 2.77Å; V1331-T1335 PolarHBondContact O-N 2.94Å; V1331-T1335 PolarHBondContact O-OG1 3.12Å
1332A71.7Confident66.7Low52 Ų5292 Ų9243%0.4348%0.476SS..Hα-helixtrans-69.1-38.3169.400000111.5Q1328 R1329 T1335 S1336Q1328-A1332 WeakPolarHBondContact O-CB 3.49Å; Q1328-A1332 PolarHBondContact O-N 2.67Å; R1329-A1332 CarbonylContact O-C 3.52Å; A1332-T1335 VanDerWaalsContact CA-OG1 3.29Å; A1332-T1335 WeakPolarHBondContact CA-OG1 3.36Å; A1332-T1335 CarbonylContact O-C 3.58Å; A1332-T1335 PolarHBondContact O-N 3.35Å; A1332-T1335 PolarHBondContact O-OG1 2.88Å; A1332-S1336 VanDerWaalsContact O-CB 3.32Å; A1332-S1336 WeakPolarHBondContact O-CB 3.36Å; A1332-S1336 PolarHBondContact O-N 2.9Å
1333E66.8Low66.9Low103 Ų10393.8 Ų93.848%0.48149%0.485SS..Hα-helixtrans-74.6-26.1167-74.3174.1138.900110.4R1329 L1330 L1337R1329-E1333 WeakPolarHBondContact O-CA 3.45Å; R1329-E1333 WeakPolarHBondContact O-CB 3.33Å; R1329-E1333 WeakPolarHBondContact O-CG 3.3Å; R1329-E1333 PolarHBondContact O-N 2.97Å; L1330-E1333 WeakPolarHBondContact CD2-OE2 3.35Å; E1333-L1337 HydrophobicContact CB-CD1 4.45Å; E1333-L1337 VanDerWaalsContact O-CA 3.3Å; E1333-L1337 WeakPolarHBondContact O-CA 3.32Å; E1333-L1337 WeakPolarHBondContact O-CB 3.34Å; E1333-L1337 WeakPolarHBondContact O-CD1 3.19Å; E1333-L1337 WeakPolarHBondContact O-CG 3.49Å; E1333-L1337 PolarHBondContact O-N 2.96Å
1334N61.5Low66.9Low88 Ų8894.1 Ų94.147%0.47149%0.486SS..Hα-helixtrans-71.7-30.1165.4-100.8-95.9000111.3L1330 V1331 L1337 N1338L1330-N1334 WeakPolarHBondContact O-CA 3.36Å; L1330-N1334 WeakPolarHBondContact O-CB 3.37Å; L1330-N1334 PolarHBondContact O-N 3.27Å; L1330-N1334 PolarHBondContact O-ND2 2.88Å; V1331-N1334 CarbonylContact O-C 3.59Å; V1331-N1334 PolarHBondContact O-N 2.77Å; N1334-L1337 CarbonylContact O-C 3.33Å; N1334-N1338 WeakPolarHBondContact O-CB 3.41Å; N1334-N1338 PolarHBondContact O-N 2.88Å; N1334-N1338 PolarHBondContact O-ND2 3.32Å
1335T72.2Confident67.1Low85 Ų8595.8 Ų95.852%0.52149%0.493SS..Hα-helixtrans-73.9-40.9170.846.80000111V1331 A1332 N1338 E1339V1331-T1335 PolarHBondContact O-N 2.94Å; V1331-T1335 PolarHBondContact O-OG1 3.12Å; A1332-T1335 VanDerWaalsContact CA-OG1 3.29Å; A1332-T1335 WeakPolarHBondContact CA-OG1 3.36Å; A1332-T1335 CarbonylContact O-C 3.58Å; A1332-T1335 PolarHBondContact O-N 3.35Å; A1332-T1335 PolarHBondContact O-OG1 2.88Å; T1335-N1338 CarbonylContact O-C 3.28Å; T1335-N1338 PolarHBondContact O-N 3.33Å; T1335-N1338 VanDerWaalsContact O-N 3.08Å; T1335-E1339 WeakPolarHBondContact O-CG 3.19Å; T1335-E1339 PolarHBondContact O-N 2.86Å
1336S72.4Confident67Low65 Ų6598.2 Ų98.246%0.45551%0.508SS..Hα-helixtrans-66.6-35.8173.8-168.40000111.9A1332 E1339 E1340A1332-S1336 VanDerWaalsContact O-CB 3.32Å; A1332-S1336 WeakPolarHBondContact O-CB 3.36Å; A1332-S1336 PolarHBondContact O-N 2.9Å; S1336-E1339 CarbonylContact O-C 3.5Å; S1336-E1339 PolarHBondContact O-N 3Å; S1336-E1340 WeakPolarHBondContact O-CA 3.34Å; S1336-E1340 WeakPolarHBondContact O-CB 3.32Å; S1336-E1340 PolarHBondContact O-N 3.48Å
1337L59Low67.2Low88 Ų8899.3 Ų99.346%0.46151%0.513SS..Hα-helixtrans-81-12.4171.6-69.1164.1000111.7E1333 N1334 E1340 L1341E1333-L1337 HydrophobicContact CB-CD1 4.45Å; E1333-L1337 VanDerWaalsContact O-CA 3.3Å; E1333-L1337 WeakPolarHBondContact O-CA 3.32Å; E1333-L1337 WeakPolarHBondContact O-CB 3.34Å; E1333-L1337 WeakPolarHBondContact O-CD1 3.19Å; E1333-L1337 WeakPolarHBondContact O-CG 3.49Å; E1333-L1337 PolarHBondContact O-N 2.96Å; N1334-L1337 CarbonylContact O-C 3.33Å; L1337-E1340 WeakPolarHBondContact CD2-OE2 3.24Å; L1337-L1341 WeakPolarHBondContact O-CA 3.12Å; L1337-L1341 WeakPolarHBondContact O-CB 3.44Å; L1337-L1341 PolarHBondContact O-N 2.87Å
1338N66.9Low66.8Low89 Ų8997 Ų9748%0.47651%0.514SS..Hα-helixtrans-87.9-27.2165.6-87.6-73.9000111.1N1334 T1335 L1341 A1342N1334-N1338 WeakPolarHBondContact O-CB 3.41Å; N1334-N1338 PolarHBondContact O-N 2.88Å; N1334-N1338 PolarHBondContact O-ND2 3.32Å; T1335-N1338 CarbonylContact O-C 3.28Å; T1335-N1338 PolarHBondContact O-N 3.33Å; T1335-N1338 VanDerWaalsContact O-N 3.08Å; N1338-L1341 CarbonylContact O-C 3.29Å; N1338-A1342 WeakPolarHBondContact O-CB 3.43Å; N1338-A1342 PolarHBondContact O-N 3.5Å
1339E72.7Confident66.7Low138 Ų13894.1 Ų94.165%0.64551%0.506SS*.Hα-helixtrans-74.7-35.6165-71.1-175.7155.300111.3T1335 S1336 A1342 N1343T1335-E1339 WeakPolarHBondContact O-CG 3.19Å; T1335-E1339 PolarHBondContact O-N 2.86Å; S1336-E1339 CarbonylContact O-C 3.5Å; S1336-E1339 PolarHBondContact O-N 3Å; E1339-A1342 PolarHBondContact O-N 3.26Å; E1339-N1343 WeakPolarHBondContact O-CB 3.32Å; E1339-N1343 PolarHBondContact O-N 2.98Å; E1339-N1343 PolarHBondContact O-ND2 2.99Å
1340E62.9Low66.6Low113 Ų11389.8 Ų89.853%0.52850%0.501SS..Hα-helixtrans-78.3-29.1172.4-160.6168.8-128.200111.2S1336 L1337 N1343 M1344S1336-E1340 WeakPolarHBondContact O-CA 3.34Å; S1336-E1340 WeakPolarHBondContact O-CB 3.32Å; S1336-E1340 PolarHBondContact O-N 3.48Å; L1337-E1340 WeakPolarHBondContact CD2-OE2 3.24Å; E1340-N1343 CarbonylContact O-C 3.59Å; E1340-M1344 WeakPolarHBondContact O-CA 3.2Å; E1340-M1344 WeakPolarHBondContact O-CB 3.1Å; E1340-M1344 WeakPolarHBondContact O-CG 3.33Å; E1340-M1344 PolarHBondContact O-N 3.48Å
1341L58.9Low66.6Low85 Ų8591.5 Ų91.545%0.44551%0.508SS..Hα-helixtrans-75.5-22.5164.4-172.3111.5000111.6L1337 N1338 M1344 Q1345L1337-L1341 WeakPolarHBondContact O-CA 3.12Å; L1337-L1341 WeakPolarHBondContact O-CB 3.44Å; L1337-L1341 PolarHBondContact O-N 2.87Å; N1338-L1341 CarbonylContact O-C 3.29Å; L1341-M1344 CarbonylContact O-C 3.18Å; L1341-Q1345 HydrophobicContact CG-CG 4.44Å; L1341-Q1345 WeakPolarHBondContact O-CA 2.83Å; L1341-Q1345 WeakPolarHBondContact O-CB 3.01Å; L1341-Q1345 WeakPolarHBondContact O-CG 3.31Å; L1341-Q1345 PolarHBondContact O-N 2.86Å
1342A70.5Confident66.5Low50 Ų5090.5 Ų90.541%0.41350%0.502SS..Hα-helixtrans-74.5-41.9167.600000110.9N1338 E1339 Q1345 S1346N1338-A1342 WeakPolarHBondContact O-CB 3.43Å; N1338-A1342 PolarHBondContact O-N 3.5Å; E1339-A1342 PolarHBondContact O-N 3.26Å; A1342-Q1345 PolarHBondContact O-N 2.81Å; A1342-S1346 WeakPolarHBondContact O-CB 3.45Å; A1342-S1346 PolarHBondContact O-N 3.04Å
1343N71Confident66.4Low115 Ų11593.5 Ų93.562%0.61551%0.507SS*.Hα-helixtrans-66.3-36.5170.9-80.3-42000111.8E1339 E1340 S1346 Q1347E1339-N1343 WeakPolarHBondContact O-CB 3.32Å; E1339-N1343 PolarHBondContact O-N 2.98Å; E1339-N1343 PolarHBondContact O-ND2 2.99Å; E1340-N1343 CarbonylContact O-C 3.59Å; N1343-S1346 CarbonylContact O-C 3.46Å; N1343-S1346 WeakPolarHBondContact O-CB 3.3Å; N1343-S1346 PolarHBondContact O-N 3.44Å; N1343-Q1347 WeakPolarHBondContact O-CB 3.13Å; N1343-Q1347 PolarHBondContact O-N 2.92Å
1344M62.5Low66.4Low98 Ų9890.6 Ų90.648%0.48350%0.501SS..Hα-helixtrans-80.9-17.7173.6-69.1-81.5-89.100112E1340 L1341 Q1347 V1348E1340-M1344 WeakPolarHBondContact O-CA 3.2Å; E1340-M1344 WeakPolarHBondContact O-CB 3.1Å; E1340-M1344 WeakPolarHBondContact O-CG 3.33Å; E1340-M1344 PolarHBondContact O-N 3.48Å; L1341-M1344 CarbonylContact O-C 3.18Å; M1344-Q1347 CarbonylContact O-C 3.4Å; M1344-Q1347 HydrophobicContact SD-CB 4.4Å; M1344-V1348 WeakPolarHBondContact O-CA 3.46Å; M1344-V1348 WeakPolarHBondContact O-CB 3.49Å; M1344-V1348 WeakPolarHBondContact O-CG2 3.09Å; M1344-V1348 PolarHBondContact O-N 2.91Å
1345Q65.8Low66.6Low112 Ų11293 Ų9352%0.52351%0.507SS..Hα-helixtrans-76.7-35.4164.4-84.31705.100110.4L1341 A1342 V1348 T1349L1341-Q1345 HydrophobicContact CG-CG 4.44Å; L1341-Q1345 WeakPolarHBondContact O-CA 2.83Å; L1341-Q1345 WeakPolarHBondContact O-CB 3.01Å; L1341-Q1345 WeakPolarHBondContact O-CG 3.31Å; L1341-Q1345 PolarHBondContact O-N 2.86Å; A1342-Q1345 PolarHBondContact O-N 2.81Å; Q1345-V1348 CarbonylContact O-C 3.13Å; Q1345-V1348 PolarHBondContact O-N 3.43Å; Q1345-T1349 VanDerWaalsContact O-CB 3.31Å; Q1345-T1349 WeakPolarHBondContact O-CB 3.4Å; Q1345-T1349 PolarHBondContact O-N 2.86Å; Q1345-T1349 PolarHBondContact O-OG1 2.86Å
1346S70.9Confident66.5Low78 Ų7894.7 Ų94.755%0.54551%0.509SS..Hα-helixtrans-64.4-43.8166.9-176.80000110.8A1342 N1343 T1349 S1350A1342-S1346 WeakPolarHBondContact O-CB 3.45Å; A1342-S1346 PolarHBondContact O-N 3.04Å; N1343-S1346 CarbonylContact O-C 3.46Å; N1343-S1346 WeakPolarHBondContact O-CB 3.3Å; N1343-S1346 PolarHBondContact O-N 3.44Å; S1346-T1349 CarbonylContact O-C 3.42Å; S1346-T1349 WeakPolarHBondContact O-CB 3.46Å; S1346-T1349 PolarHBondContact O-N 3.47Å; S1346-T1349 VanDerWaalsContact O-N 3.13Å; S1346-S1350 PolarHBondContact O-N 3.31Å
1347Q67.4Low66.4Low119 Ų119100.9 Ų100.956%0.55652%0.522SS*.Hα-helixtrans-71.6-29.7175.4-144.7-178.883.900112.3N1343 M1344 S1350 M1351N1343-Q1347 WeakPolarHBondContact O-CB 3.13Å; N1343-Q1347 PolarHBondContact O-N 2.92Å; M1344-Q1347 CarbonylContact O-C 3.4Å; M1344-Q1347 HydrophobicContact SD-CB 4.4Å; Q1347-S1350 WeakPolarHBondContact O-CB 3.45Å; Q1347-M1351 VanDerWaalsContact O-CB 3.27Å; Q1347-M1351 WeakPolarHBondContact O-CB 3.1Å; Q1347-M1351 WeakPolarHBondContact O-CG 3.3Å; Q1347-M1351 PolarHBondContact O-N 2.85Å
1348V62.8Low66.4Low85 Ų85102.1 Ų102.152%0.51553%0.527SS..Hα-helixtrans-73.9-27.3168.21620000111.2M1344 Q1345 M1351 T1352M1344-V1348 WeakPolarHBondContact O-CA 3.46Å; M1344-V1348 WeakPolarHBondContact O-CB 3.49Å; M1344-V1348 WeakPolarHBondContact O-CG2 3.09Å; M1344-V1348 PolarHBondContact O-N 2.91Å; Q1345-V1348 CarbonylContact O-C 3.13Å; Q1345-V1348 PolarHBondContact O-N 3.43Å; V1348-M1351 CarbonylContact O-C 3.03Å; V1348-T1352 WeakPolarHBondContact O-CA 3.14Å; V1348-T1352 WeakPolarHBondContact O-CB 3.49Å; V1348-T1352 PolarHBondContact O-N 3.17Å; V1348-T1352 PolarHBondContact O-OG1 3.04Å
1349T68Low66.3Low81 Ų81100.8 Ų100.850%0.49752%0.522SS..Hα-helixtrans-72.1-42.6171-59.50000109.9Q1345 S1346 T1352 Q1353Q1345-T1349 VanDerWaalsContact O-CB 3.31Å; Q1345-T1349 WeakPolarHBondContact O-CB 3.4Å; Q1345-T1349 PolarHBondContact O-N 2.86Å; Q1345-T1349 PolarHBondContact O-OG1 2.86Å; S1346-T1349 CarbonylContact O-C 3.42Å; S1346-T1349 WeakPolarHBondContact O-CB 3.46Å; S1346-T1349 PolarHBondContact O-N 3.47Å; S1346-T1349 VanDerWaalsContact O-N 3.13Å; T1349-T1352 CarbonylContact O-C 3.44Å; T1349-T1352 WeakPolarHBondContact O-CA 2.82Å; T1349-T1352 WeakPolarHBondContact O-CB 3.37Å; T1349-T1352 PolarHBondContact O-N 3.49Å; T1349-T1352 VanDerWaalsContact O-N 3.1Å; T1349-Q1353 WeakPolarHBondContact O-CG 3.42Å; T1349-Q1353 PolarHBondContact O-N 2.85Å
1350S68Low66.3Low70 Ų7098 Ų9849%0.4952%0.515SS..Hα-helixtrans-59.4-47.7168.6179.70000111.7S1346 Q1347 T1352 Q1353 A1354S1346-S1350 PolarHBondContact O-N 3.31Å; Q1347-S1350 WeakPolarHBondContact O-CB 3.45Å; S1350-T1352 PolarHBondContact O-N 2.82Å; S1350-Q1353 CarbonylContact O-C 3.54Å; S1350-Q1353 WeakPolarHBondContact O-CB 3.49Å; S1350-Q1353 PolarHBondContact O-N 3.19Å; S1350-Q1353 VanDerWaalsContact O-N 3.15Å; S1350-A1354 PolarHBondContact O-N 2.91Å
1351M58.8Low66.5Low126 Ų12697.8 Ų97.862%0.62151%0.514SS*.Hα-helixtrans-68.8-18173.3-72.9-81.5-79.200112.7Q1347 V1348 K1355Q1347-M1351 VanDerWaalsContact O-CB 3.27Å; Q1347-M1351 WeakPolarHBondContact O-CB 3.1Å; Q1347-M1351 WeakPolarHBondContact O-CG 3.3Å; Q1347-M1351 PolarHBondContact O-N 2.85Å; V1348-M1351 CarbonylContact O-C 3.03Å; M1351-K1355 WeakPolarHBondContact O-CA 3.06Å; M1351-K1355 WeakPolarHBondContact O-CB 3.44Å; M1351-K1355 PolarHBondContact O-N 3Å
1352T65.4Low66.4Low60 Ų6099.1 Ų99.137%0.36852%0.521SS..Hα-helixtrans-80.3-34.2171.6-66.40000110.4V1348 T1349 S1350 K1355 Q1356V1348-T1352 WeakPolarHBondContact O-CA 3.14Å; V1348-T1352 WeakPolarHBondContact O-CB 3.49Å; V1348-T1352 PolarHBondContact O-N 3.17Å; V1348-T1352 PolarHBondContact O-OG1 3.04Å; T1349-T1352 CarbonylContact O-C 3.44Å; T1349-T1352 WeakPolarHBondContact O-CA 2.82Å; T1349-T1352 WeakPolarHBondContact O-CB 3.37Å; T1349-T1352 PolarHBondContact O-N 3.49Å; T1349-T1352 VanDerWaalsContact O-N 3.1Å; S1350-T1352 PolarHBondContact O-N 2.82Å; T1352-K1355 CarbonylContact O-C 3.5Å; T1352-K1355 PolarHBondContact O-N 3.13Å; T1352-Q1356 WeakPolarHBondContact O-CB 3.04Å; T1352-Q1356 VanDerWaalsContact O-CG 3.29Å; T1352-Q1356 WeakPolarHBondContact O-CG 3.03Å; T1352-Q1356 PolarHBondContact O-N 2.84Å
1353Q71Confident66.2Low116 Ų116102 Ų10254%0.54253%0.525SS..Hα-helixtrans-68.7-38.1167-65.8175.68.200111.5T1349 S1350 Q1356 R1357T1349-Q1353 WeakPolarHBondContact O-CG 3.42Å; T1349-Q1353 PolarHBondContact O-N 2.85Å; S1350-Q1353 CarbonylContact O-C 3.54Å; S1350-Q1353 WeakPolarHBondContact O-CB 3.49Å; S1350-Q1353 PolarHBondContact O-N 3.19Å; S1350-Q1353 VanDerWaalsContact O-N 3.15Å; Q1353-Q1356 PolarHBondContact O-N 3.35Å; Q1353-R1357 PolarHBondContact O-N 2.72Å
1354A65.7Low66.1Low42 Ų42102.7 Ų102.735%0.34753%0.525SS..Hα-helixtrans-67.2-38.8171.400000111.8S1350 Q1356 R1357 M1358S1350-A1354 PolarHBondContact O-N 2.91Å; A1354-Q1356 VanDerWaalsContact C-N 3.33Å; A1354-R1357 WeakPolarHBondContact O-CB 3.42Å; A1354-R1357 PolarHBondContact O-N 2.87Å; A1354-M1358 WeakPolarHBondContact O-CB 3.41Å; A1354-M1358 PolarHBondContact O-N 2.68Å
1355K67Low65.7Low139 Ų139100.2 Ų100.260%0.60452%0.52SS*.Hα-helixtrans-63-36.5170.5180-179.2176.7-179.10111.2M1351 T1352 M1358 V1359M1351-K1355 WeakPolarHBondContact O-CA 3.06Å; M1351-K1355 WeakPolarHBondContact O-CB 3.44Å; M1351-K1355 PolarHBondContact O-N 3Å; T1352-K1355 CarbonylContact O-C 3.5Å; T1352-K1355 PolarHBondContact O-N 3.13Å; K1355-M1358 CarbonylContact O-C 3.55Å; K1355-M1358 PolarHBondContact O-N 2.93Å; K1355-V1359 HydrophobicContact CG-CG2 4.35Å; K1355-V1359 VanDerWaalsContact O-CB 3.27Å; K1355-V1359 WeakPolarHBondContact O-CB 3.31Å; K1355-V1359 WeakPolarHBondContact O-CG2 3.33Å; K1355-V1359 PolarHBondContact O-N 2.83Å
1356Q68.9Low65.5Low120 Ų120102.8 Ų102.856%0.56153%0.525SS*.Hα-helixtrans-65.4-39.3172.6-78.6167.8-25.900111.5T1352 Q1353 A1354 V1359 V1360T1352-Q1356 WeakPolarHBondContact O-CB 3.04Å; T1352-Q1356 VanDerWaalsContact O-CG 3.29Å; T1352-Q1356 WeakPolarHBondContact O-CG 3.03Å; T1352-Q1356 PolarHBondContact O-N 2.84Å; Q1353-Q1356 PolarHBondContact O-N 3.35Å; A1354-Q1356 VanDerWaalsContact C-N 3.33Å; Q1356-V1359 PolarHBondContact O-N 2.81Å; Q1356-V1360 WeakPolarHBondContact O-CG2 3.47Å; Q1356-V1360 PolarHBondContact O-N 2.74Å
1357R70.8Confident65.4Low194 Ų194106.1 Ų106.173%0.73253%0.529SS*.Hα-helixtrans-64.8-43170.7-66.1179.8-175.6-178.62.5112.5Q1353 A1354 V1359 V1360 Q1361Q1353-R1357 PolarHBondContact O-N 2.72Å; A1354-R1357 WeakPolarHBondContact O-CB 3.42Å; A1354-R1357 PolarHBondContact O-N 2.87Å; R1357-V1359 VanDerWaalsContact C-N 3.3Å; R1357-V1359 PolarHBondContact O-N 2.97Å; R1357-V1360 PolarHBondContact O-N 3.36Å; R1357-Q1361 PolarHBondContact O-N 3.05Å
1358M57.8Low65.1Low114 Ų114104.1 Ų104.156%0.56253%0.526SS*.Hα-helixtrans-68.2-26.2174.5-80.1-80.2164.100112.9A1354 K1355 L1362A1354-M1358 WeakPolarHBondContact O-CB 3.41Å; A1354-M1358 PolarHBondContact O-N 2.68Å; K1355-M1358 CarbonylContact O-C 3.55Å; K1355-M1358 PolarHBondContact O-N 2.93Å; M1358-L1362 VanDerWaalsContact O-CB 3.26Å; M1358-L1362 WeakPolarHBondContact O-CB 3.37Å; M1358-L1362 WeakPolarHBondContact O-CG 3.41Å; M1358-L1362 PolarHBondContact O-N 2.82Å
1359V66.6Low64.8Low61 Ų61102.2 Ų102.237%0.3752%0.519SS..Hα-helixtrans-71.2-41.6171.5161.30000110K1355 Q1356 R1357 Q1361 L1362 E1363K1355-V1359 HydrophobicContact CG-CG2 4.35Å; K1355-V1359 VanDerWaalsContact O-CB 3.27Å; K1355-V1359 WeakPolarHBondContact O-CB 3.31Å; K1355-V1359 WeakPolarHBondContact O-CG2 3.33Å; K1355-V1359 PolarHBondContact O-N 2.83Å; Q1356-V1359 PolarHBondContact O-N 2.81Å; R1357-V1359 VanDerWaalsContact C-N 3.3Å; R1357-V1359 PolarHBondContact O-N 2.97Å; V1359-Q1361 VanDerWaalsContact C-N 3.34Å; V1359-Q1361 PolarHBondContact O-N 3.13Å; V1359-L1362 CarbonylContact O-C 3.56Å; V1359-L1362 WeakPolarHBondContact O-CA 2.94Å; V1359-L1362 WeakPolarHBondContact O-CB 3.31Å; V1359-L1362 PolarHBondContact O-N 2.78Å; V1359-L1362 VanDerWaalsContact O-N 3.13Å; V1359-E1363 WeakPolarHBondContact O-CG 3.44Å; V1359-E1363 PolarHBondContact O-N 2.75Å
1360V72.2Confident64.5Low81 Ų81103.5 Ų103.549%0.49152%0.519SS..Hα-helixtrans-62.7-41171.8172.80000111.3Q1356 R1357 L1362 E1363 E1364Q1356-V1360 WeakPolarHBondContact O-CG2 3.47Å; Q1356-V1360 PolarHBondContact O-N 2.74Å; R1357-V1360 PolarHBondContact O-N 3.36Å; V1360-L1362 VanDerWaalsContact C-N 3.33Å; V1360-L1362 PolarHBondContact O-N 3.29Å; V1360-E1363 WeakPolarHBondContact O-CB 3.47Å; V1360-E1363 PolarHBondContact O-N 2.91Å; V1360-E1363 VanDerWaalsContact O-N 3.13Å; V1360-E1364 PolarHBondContact O-N 2.82Å
1361Q66Low64.2Low108 Ų108106.5 Ų106.551%0.50553%0.526SS..Hα-helixtrans-67.6-32.1172.5-69.3-176.4-44.600112.7R1357 V1359 E1363 E1364 A1365R1357-Q1361 PolarHBondContact O-N 3.05Å; V1359-Q1361 VanDerWaalsContact C-N 3.34Å; V1359-Q1361 PolarHBondContact O-N 3.13Å; Q1361-E1363 VanDerWaalsContact C-N 3.32Å; Q1361-E1364 PolarHBondContact O-N 3.45Å; Q1361-A1365 WeakPolarHBondContact O-CB 3.44Å; Q1361-A1365 PolarHBondContact O-N 3.31Å
1362L57Low64Low113 Ų113107.7 Ų107.759%0.59253%0.527SS*.Hα-helixtrans-71.5-23.8170.2-85.6164000112.7M1358 V1359 V1360 A1365 R1366M1358-L1362 VanDerWaalsContact O-CB 3.26Å; M1358-L1362 WeakPolarHBondContact O-CB 3.37Å; M1358-L1362 WeakPolarHBondContact O-CG 3.41Å; M1358-L1362 PolarHBondContact O-N 2.82Å; V1359-L1362 CarbonylContact O-C 3.56Å; V1359-L1362 WeakPolarHBondContact O-CA 2.94Å; V1359-L1362 WeakPolarHBondContact O-CB 3.31Å; V1359-L1362 PolarHBondContact O-N 2.78Å; V1359-L1362 VanDerWaalsContact O-N 3.13Å; V1360-L1362 VanDerWaalsContact C-N 3.33Å; V1360-L1362 PolarHBondContact O-N 3.29Å; L1362-A1365 CarbonylContact O-C 3.56Å; L1362-R1366 VanDerWaalsContact O-CB 3.29Å; L1362-R1366 WeakPolarHBondContact O-CB 3.13Å; L1362-R1366 PolarHBondContact O-N 3.44Å
1363E66.1Low63.6Low109 Ų109108.4 Ų108.451%0.50953%0.531SS..Hα-helixtrans-76.3-35.2171.9-75.4174.7150.100111.3V1359 V1360 Q1361 R1366 K1367V1359-E1363 WeakPolarHBondContact O-CG 3.44Å; V1359-E1363 PolarHBondContact O-N 2.75Å; V1360-E1363 WeakPolarHBondContact O-CB 3.47Å; V1360-E1363 PolarHBondContact O-N 2.91Å; V1360-E1363 VanDerWaalsContact O-N 3.13Å; Q1361-E1363 VanDerWaalsContact C-N 3.32Å; E1363-R1366 WeakPolarHBondContact O-CB 3.44Å; E1363-R1366 PolarHBondContact O-N 3.45Å; E1363-K1367 PolarHBondContact O-N 3.36Å
1364E68.9Low63.2Low130 Ų130105.5 Ų105.561%0.60753%0.527SS*.Hα-helixtrans-67.1-39.4166.7-66.3-174.713200111.9V1360 Q1361 R1366 K1367 T1368V1360-E1364 PolarHBondContact O-N 2.82Å; Q1361-E1364 PolarHBondContact O-N 3.45Å; E1364-R1366 VanDerWaalsContact C-N 3.3Å; E1364-R1366 PolarHBondContact O-N 3.2Å; E1364-K1367 PolarHBondContact O-N 2.88Å; E1364-T1368 PolarHBondContact O-N 3.36Å; E1364-T1368 VanDerWaalsContact O-N 3.12Å; E1364-T1368 PolarHBondContact O-OG1 2.87Å; E1364-T1368 VanDerWaalsContact O-OG1 3.11Å
1365A54.7Low62.9Low46 Ų46110 Ų11038%0.3854%0.539SS..Hα-helixtrans-66.1-31.617000000112.2Q1361 L1362 T1368 A1369Q1361-A1365 WeakPolarHBondContact O-CB 3.44Å; Q1361-A1365 PolarHBondContact O-N 3.31Å; L1362-A1365 CarbonylContact O-C 3.56Å; A1365-T1368 WeakPolarHBondContact CA-OG1 3.25Å; A1365-T1368 PolarHBondContact O-OG1 2.98Å; A1365-A1369 WeakPolarHBondContact O-CB 3.04Å; A1365-A1369 PolarHBondContact O-N 2.78Å
1366R62.5Low62.6Low167 Ų167106.8 Ų106.863%0.6353%0.533SS*.Hα-helixtrans-68.8-41.6173.5-128.6177.4-175.4176.5-1.5111L1362 E1363 E1364 T1368 A1369 E1370L1362-R1366 VanDerWaalsContact O-CB 3.29Å; L1362-R1366 WeakPolarHBondContact O-CB 3.13Å; L1362-R1366 PolarHBondContact O-N 3.44Å; E1363-R1366 WeakPolarHBondContact O-CB 3.44Å; E1363-R1366 PolarHBondContact O-N 3.45Å; E1364-R1366 VanDerWaalsContact C-N 3.3Å; E1364-R1366 PolarHBondContact O-N 3.2Å; R1366-T1368 PolarHBondContact O-N 2.97Å; R1366-A1369 CarbonylContact O-C 3.58Å; R1366-A1369 WeakPolarHBondContact O-CA 3.31Å; R1366-A1369 WeakPolarHBondContact O-CB 3.36Å; R1366-A1369 PolarHBondContact O-N 3.26Å; R1366-A1369 VanDerWaalsContact O-N 3.09Å; R1366-E1370 WeakPolarHBondContact O-CB 3.41Å; R1366-E1370 VanDerWaalsContact O-CG 3.28Å; R1366-E1370 WeakPolarHBondContact O-CG 3.07Å; R1366-E1370 PolarHBondContact O-N 2.75Å
1367K67.6Low62.2Low147 Ų147105.6 Ų105.664%0.63953%0.531SS*.Hα-helixtrans-58.5-44.6173.1-110.6176.4176.9174.30112.7E1363 E1364 A1369 E1370 E1371E1363-K1367 PolarHBondContact O-N 3.36Å; E1364-K1367 PolarHBondContact O-N 2.88Å; K1367-A1369 VanDerWaalsContact C-N 3.3Å; K1367-A1369 PolarHBondContact O-N 3.47Å; K1367-E1370 WeakPolarHBondContact O-CB 3.13Å; K1367-E1370 PolarHBondContact O-N 2.94Å; K1367-E1371 PolarHBondContact O-N 3.5Å
1368T61.7Low62Low78 Ų78101.9 Ų101.948%0.47952%0.522SS..Hα-helixtrans-76.3-16.3175.9490000113.4E1364 A1365 R1366E1364-T1368 PolarHBondContact O-N 3.36Å; E1364-T1368 VanDerWaalsContact O-N 3.12Å; E1364-T1368 PolarHBondContact O-OG1 2.87Å; E1364-T1368 VanDerWaalsContact O-OG1 3.11Å; A1365-T1368 WeakPolarHBondContact CA-OG1 3.25Å; A1365-T1368 PolarHBondContact O-OG1 2.98Å; R1366-T1368 PolarHBondContact O-N 2.97Å
1369A55.8Low62Low45 Ų45102.7 Ų102.737%0.37253%0.525SS..Hα-helixtrans-78.3-37.5163.400000111.9A1365 R1366 K1367 E1371 K1372 T1373A1365-A1369 WeakPolarHBondContact O-CB 3.04Å; A1365-A1369 PolarHBondContact O-N 2.78Å; R1366-A1369 CarbonylContact O-C 3.58Å; R1366-A1369 WeakPolarHBondContact O-CA 3.31Å; R1366-A1369 WeakPolarHBondContact O-CB 3.36Å; R1366-A1369 PolarHBondContact O-N 3.26Å; R1366-A1369 VanDerWaalsContact O-N 3.09Å; K1367-A1369 VanDerWaalsContact C-N 3.3Å; K1367-A1369 PolarHBondContact O-N 3.47Å; A1369-E1371 VanDerWaalsContact C-N 3.32Å; A1369-E1371 PolarHBondContact O-N 3.46Å; A1369-K1372 CarbonylContact O-C 3.55Å; A1369-K1372 VanDerWaalsContact O-CA 3.31Å; A1369-K1372 WeakPolarHBondContact O-CA 3.42Å; A1369-K1372 VanDerWaalsContact O-CB 3.29Å; A1369-K1372 WeakPolarHBondContact O-CB 3.11Å; A1369-K1372 PolarHBondContact O-N 2.72Å; A1369-T1373 PolarHBondContact O-N 3.2Å; A1369-T1373 PolarHBondContact O-OG1 2.92Å; A1369-T1373 VanDerWaalsContact O-OG1 3.07Å
1370E61.8Low62Low107 Ų107103.9 Ų103.950%0.553%0.529SS..Hα-helixtrans-64.4-34.7174.6-74.4159.3-169.500111.2R1366 K1367 K1372 T1373 A1374R1366-E1370 WeakPolarHBondContact O-CB 3.41Å; R1366-E1370 VanDerWaalsContact O-CG 3.28Å; R1366-E1370 WeakPolarHBondContact O-CG 3.07Å; R1366-E1370 PolarHBondContact O-N 2.75Å; K1367-E1370 WeakPolarHBondContact O-CB 3.13Å; K1367-E1370 PolarHBondContact O-N 2.94Å; E1370-K1372 PolarHBondContact O-N 2.81Å; E1370-T1373 PolarHBondContact O-N 3.5Å; E1370-A1374 WeakPolarHBondContact O-CB 3.46Å; E1370-A1374 PolarHBondContact O-N 2.85Å
1371E61.3Low61.8Low134 Ų134102.9 Ų102.963%0.62653%0.53SS*.Hα-helixtrans-63.8-24.6167.1-72-176.8157.800113.6K1367 A1369K1367-E1371 PolarHBondContact O-N 3.5Å; A1369-E1371 VanDerWaalsContact C-N 3.32Å; A1369-E1371 PolarHBondContact O-N 3.46Å
1372K54.7Low61.6Low151 Ų151103 Ų10366%0.65753%0.53SS*.Hα-helixtrans-85.5-32.7169.8-66.6175.7179.6175.20111.9A1369 E1370 A1374 K1375 C1376A1369-K1372 CarbonylContact O-C 3.55Å; A1369-K1372 VanDerWaalsContact O-CA 3.31Å; A1369-K1372 WeakPolarHBondContact O-CA 3.42Å; A1369-K1372 VanDerWaalsContact O-CB 3.29Å; A1369-K1372 WeakPolarHBondContact O-CB 3.11Å; A1369-K1372 PolarHBondContact O-N 2.72Å; E1370-K1372 PolarHBondContact O-N 2.81Å; K1372-A1374 VanDerWaalsContact C-N 3.35Å; K1372-K1375 CarbonylContact O-C 3.58Å; K1372-K1375 WeakPolarHBondContact O-CA 3.04Å; K1372-K1375 WeakPolarHBondContact O-CB 2.98Å; K1372-K1375 PolarHBondContact O-N 3.48Å; K1372-K1375 VanDerWaalsContact O-N 3.13Å; K1372-C1376 PolarHBondContact O-N 3.45Å; K1372-C1376 PolarHBondContact O-SG 2.82Å
1373T57Low61.9Low74 Ų74104.9 Ų104.945%0.45453%0.53SS..Hα-helixtrans-63.7-41.9171.9-48.20000110.3A1369 E1370 K1375 C1376 D1377A1369-T1373 PolarHBondContact O-N 3.2Å; A1369-T1373 PolarHBondContact O-OG1 2.92Å; A1369-T1373 VanDerWaalsContact O-OG1 3.07Å; E1370-T1373 PolarHBondContact O-N 3.5Å; T1373-K1375 PolarHBondContact O-N 2.76Å; T1373-C1376 CarbonylContact O-C 3.56Å; T1373-C1376 VanDerWaalsContact O-CA 3.32Å; T1373-C1376 WeakPolarHBondContact O-CA 3.49Å; T1373-C1376 VanDerWaalsContact O-CB 3.29Å; T1373-C1376 WeakPolarHBondContact O-CB 3.17Å; T1373-C1376 PolarHBondContact O-N 3.35Å; T1373-D1377 PolarHBondContact O-N 2.79Å
1374A63.7Low62Low55 Ų55106 Ų10646%0.45553%0.534SS..Hα-helixtrans-59.5-29.5172.400000113E1370 K1372 Q1378E1370-A1374 WeakPolarHBondContact O-CB 3.46Å; E1370-A1374 PolarHBondContact O-N 2.85Å; K1372-A1374 VanDerWaalsContact C-N 3.35Å; A1374-Q1378 WeakPolarHBondContact O-CB 3.28Å; A1374-Q1378 PolarHBondContact O-N 3.31Å
1375K59.8Low61.9Low137 Ų137108 Ų10860%0.59654%0.535SS*.Hα-helixtrans-77.2-28.8170-73.1177.4177.8173.90113.1K1372 T1373 Q1378 M1379K1372-K1375 CarbonylContact O-C 3.58Å; K1372-K1375 WeakPolarHBondContact O-CA 3.04Å; K1372-K1375 WeakPolarHBondContact O-CB 2.98Å; K1372-K1375 PolarHBondContact O-N 3.48Å; K1372-K1375 VanDerWaalsContact O-N 3.13Å; T1373-K1375 PolarHBondContact O-N 2.76Å; K1375-Q1378 WeakPolarHBondContact O-CB 3.36Å; K1375-Q1378 PolarHBondContact O-N 3.47Å; K1375-M1379 WeakPolarHBondContact O-CG 3.13Å; K1375-M1379 PolarHBondContact O-N 3.24Å
1376C59Low62.1Low71 Ų71109 Ų10948%0.4854%0.539SS..Hα-helixtrans-69.5-40.9168.8-60.50000110.9K1372 T1373 Q1378 M1379 I1380K1372-C1376 PolarHBondContact O-N 3.45Å; K1372-C1376 PolarHBondContact O-SG 2.82Å; T1373-C1376 CarbonylContact O-C 3.56Å; T1373-C1376 VanDerWaalsContact O-CA 3.32Å; T1373-C1376 WeakPolarHBondContact O-CA 3.49Å; T1373-C1376 VanDerWaalsContact O-CB 3.29Å; T1373-C1376 WeakPolarHBondContact O-CB 3.17Å; T1373-C1376 PolarHBondContact O-N 3.35Å; C1376-Q1378 VanDerWaalsContact C-N 3.28Å; C1376-Q1378 PolarHBondContact O-N 3.19Å; C1376-M1379 CarbonylContact O-C 3.44Å; C1376-M1379 PolarHBondContact O-N 2.95Å; C1376-M1379 VanDerWaalsContact O-N 3.13Å; C1376-I1380 VanDerWaalsContact O-CG1 3.28Å; C1376-I1380 WeakPolarHBondContact O-CG1 3.03Å; C1376-I1380 PolarHBondContact O-N 2.71Å
1377D61.8Low62Low95 Ų95105.5 Ų105.551%0.50853%0.53SS..Hα-helixtrans-62.8-35.8171.7-67-41.9000111.4T1373 I1380 A1381T1373-D1377 PolarHBondContact O-N 2.79Å; D1377-I1380 PolarHBondContact O-N 3.37Å; D1377-A1381 WeakPolarHBondContact O-CB 3.24Å; D1377-A1381 PolarHBondContact O-N 2.91Å
1378Q66.1Low62.1Low117 Ų117106 Ų10655%0.54753%0.533SS..Hα-helixtrans-64.8-42.1170.8-167.217210.900112A1374 K1375 C1376 A1381 E1382A1374-Q1378 WeakPolarHBondContact O-CB 3.28Å; A1374-Q1378 PolarHBondContact O-N 3.31Å; K1375-Q1378 WeakPolarHBondContact O-CB 3.36Å; K1375-Q1378 PolarHBondContact O-N 3.47Å; C1376-Q1378 VanDerWaalsContact C-N 3.28Å; C1376-Q1378 PolarHBondContact O-N 3.19Å; Q1378-A1381 WeakPolarHBondContact O-CB 3.09Å; Q1378-A1381 PolarHBondContact O-N 3.17Å; Q1378-E1382 PolarHBondContact O-N 2.76Å
1379M57.9Low62Low130 Ų130106 Ų10664%0.6453%0.53SS*.Hα-helixtrans-67.9-31.3172.3-74-17370.600113K1375 C1376 A1381 E1382 Y1383K1375-M1379 WeakPolarHBondContact O-CG 3.13Å; K1375-M1379 PolarHBondContact O-N 3.24Å; C1376-M1379 CarbonylContact O-C 3.44Å; C1376-M1379 PolarHBondContact O-N 2.95Å; C1376-M1379 VanDerWaalsContact O-N 3.13Å; M1379-A1381 VanDerWaalsContact C-N 3.35Å; M1379-E1382 PolarHBondContact O-N 2.84Å; M1379-Y1383 WeakPolarHBondContact O-CB 3.16Å; M1379-Y1383 PolarHBondContact O-N 2.99Å
1380I66.8Low61.9Low86 Ų86109.4 Ų109.444%0.44154%0.541SS..Hα-helixtrans-70.7-33.7172.7-69.9162.8000110.3C1376 D1377 K1384C1376-I1380 VanDerWaalsContact O-CG1 3.28Å; C1376-I1380 WeakPolarHBondContact O-CG1 3.03Å; C1376-I1380 PolarHBondContact O-N 2.71Å; D1377-I1380 PolarHBondContact O-N 3.37Å; I1380-K1384 HydrophobicContact CG2-CD 4.4Å; I1380-K1384 WeakPolarHBondContact O-CB 3.48Å; I1380-K1384 WeakPolarHBondContact O-CG 3.29Å; I1380-K1384 PolarHBondContact O-N 2.79Å
1381A67.7Low62.1Low61 Ų61106.7 Ų106.750%0.50454%0.537SS..Hα-helixtrans-69.2-35.2170.800000112.3D1377 Q1378 M1379 R1385D1377-A1381 WeakPolarHBondContact O-CB 3.24Å; D1377-A1381 PolarHBondContact O-N 2.91Å; Q1378-A1381 WeakPolarHBondContact O-CB 3.09Å; Q1378-A1381 PolarHBondContact O-N 3.17Å; M1379-A1381 VanDerWaalsContact C-N 3.35Å; A1381-R1385 WeakPolarHBondContact O-CB 3.2Å; A1381-R1385 PolarHBondContact O-N 3.34Å
1382E62.4Low62.4Low110 Ų110106 Ų10651%0.51453%0.534SS..Hα-helixtrans-71.1-39.4171.5-71.8-178.2156.500112.1Q1378 M1379 R1385 S1386Q1378-E1382 PolarHBondContact O-N 2.76Å; M1379-E1382 PolarHBondContact O-N 2.84Å; E1382-R1385 WeakPolarHBondContact O-CA 3.4Å; E1382-R1385 VanDerWaalsContact O-CB 3.24Å; E1382-R1385 WeakPolarHBondContact O-CB 3.16Å; E1382-R1385 PolarHBondContact O-N 3.11Å; E1382-R1385 VanDerWaalsContact O-N 3.08Å; E1382-S1386 PolarHBondContact O-N 3.47Å; E1382-S1386 PolarHBondContact O-OG 3.48Å
1383Y63.1Low62.6Low153 Ų153102.9 Ų102.960%0.653%0.527SS*.Hα-helixtrans-60.7-47.3172-177.9-91.3000111.5M1379 R1385 S1386 E1387M1379-Y1383 WeakPolarHBondContact O-CB 3.16Å; M1379-Y1383 PolarHBondContact O-N 2.99Å; Y1383-R1385 PolarHBondContact O-N 2.95Å; Y1383-S1386 CarbonylContact O-C 3.54Å; Y1383-S1386 WeakPolarHBondContact O-CA 3.24Å; Y1383-S1386 WeakPolarHBondContact O-CB 3.46Å; Y1383-S1386 PolarHBondContact O-N 3.09Å; Y1383-E1387 HydrophobicContact CD1-CG 4.12Å; Y1383-E1387 HydrophobicContact CE1-CG 3.78Å; Y1383-E1387 PolarHBondContact O-N 3.14Å
1384K66.8Low62.8Low133 Ų133102.5 Ų102.558%0.57853%0.527SS*.Hα-helixtrans-65.8-19173.8-77.1178.8174.6-179.70113.7I1380 E1387 K1388I1380-K1384 HydrophobicContact CG2-CD 4.4Å; I1380-K1384 WeakPolarHBondContact O-CB 3.48Å; I1380-K1384 WeakPolarHBondContact O-CG 3.29Å; I1380-K1384 PolarHBondContact O-N 2.79Å; K1384-E1387 WeakPolarHBondContact CG-OE2 3.29Å; K1384-K1388 PolarHBondContact O-N 3.28Å
1385R68.3Low63Low170 Ų170104.2 Ų104.264%0.64253%0.529SS*.Hα-helixtrans-75.9-45.8168.8-166.5177.6-173.6168.82110.1A1381 E1382 Y1383 E1387 K1388 D1389A1381-R1385 WeakPolarHBondContact O-CB 3.2Å; A1381-R1385 PolarHBondContact O-N 3.34Å; E1382-R1385 WeakPolarHBondContact O-CA 3.4Å; E1382-R1385 VanDerWaalsContact O-CB 3.24Å; E1382-R1385 WeakPolarHBondContact O-CB 3.16Å; E1382-R1385 PolarHBondContact O-N 3.11Å; E1382-R1385 VanDerWaalsContact O-N 3.08Å; Y1383-R1385 PolarHBondContact O-N 2.95Å; R1385-E1387 PolarHBondContact O-N 3.45Å; R1385-K1388 CarbonylContact O-C 3.59Å; R1385-K1388 WeakPolarHBondContact O-CA 3.25Å; R1385-K1388 WeakPolarHBondContact O-CB 3.19Å; R1385-K1388 PolarHBondContact O-N 2.9Å; R1385-D1389 VanDerWaalsContact O-CG 3.25Å; R1385-D1389 PolarHBondContact O-N 3.1Å
1386S57.8Low62.9Low67 Ų67102.8 Ų102.847%0.46953%0.525SS..Hα-helixtrans-64.3-32.6173.6-59.80000113.9E1382 Y1383 K1388 D1389 L1390E1382-S1386 PolarHBondContact O-N 3.47Å; E1382-S1386 PolarHBondContact O-OG 3.48Å; Y1383-S1386 CarbonylContact O-C 3.54Å; Y1383-S1386 WeakPolarHBondContact O-CA 3.24Å; Y1383-S1386 WeakPolarHBondContact O-CB 3.46Å; Y1383-S1386 PolarHBondContact O-N 3.09Å; S1386-K1388 VanDerWaalsContact C-N 3.29Å; S1386-K1388 PolarHBondContact O-N 3.11Å; S1386-D1389 PolarHBondContact O-N 2.97Å; S1386-L1390 WeakPolarHBondContact O-CB 3.37Å; S1386-L1390 PolarHBondContact O-N 3.43Å
1387E60Low62.7Low94 Ų94104.8 Ų104.844%0.43953%0.53SS..Hα-helixtrans-62.3-37.6167.5-73-175.7118.600111.6Y1383 K1384 R1385 L1390 A1391Y1383-E1387 HydrophobicContact CD1-CG 4.12Å; Y1383-E1387 HydrophobicContact CE1-CG 3.78Å; Y1383-E1387 PolarHBondContact O-N 3.14Å; K1384-E1387 WeakPolarHBondContact CG-OE2 3.29Å; R1385-E1387 PolarHBondContact O-N 3.45Å; E1387-L1390 WeakPolarHBondContact O-CB 3.24Å; E1387-L1390 PolarHBondContact O-N 3.37Å; E1387-A1391 PolarHBondContact O-N 3.43Å
1388K70.5Confident62.8Low158 Ų158106 Ų10669%0.68753%0.533SS*.Hα-helixtrans-70.1-38.4175.5-125.9-179.8-178-177.20112.3K1384 R1385 S1386 A1391 Q1392K1384-K1388 PolarHBondContact O-N 3.28Å; R1385-K1388 CarbonylContact O-C 3.59Å; R1385-K1388 WeakPolarHBondContact O-CA 3.25Å; R1385-K1388 WeakPolarHBondContact O-CB 3.19Å; R1385-K1388 PolarHBondContact O-N 2.9Å; S1386-K1388 VanDerWaalsContact C-N 3.29Å; S1386-K1388 PolarHBondContact O-N 3.11Å; K1388-A1391 PolarHBondContact O-N 3.37Å; K1388-Q1392 WeakPolarHBondContact O-CB 3.28Å; K1388-Q1392 PolarHBondContact O-N 2.72Å
1389D59.5Low62.7Low78 Ų78106.2 Ų106.242%0.41753%0.533SS..Hα-helixtrans-67.6-37.3174.6-58.9-33.9000110.4R1385 S1386 Q1392 V1393R1385-D1389 VanDerWaalsContact O-CG 3.25Å; R1385-D1389 PolarHBondContact O-N 3.1Å; S1386-D1389 PolarHBondContact O-N 2.97Å; D1389-Q1392 WeakPolarHBondContact O-CB 3.16Å; D1389-Q1392 PolarHBondContact O-N 3.44Å; D1389-V1393 WeakPolarHBondContact O-CG2 3.04Å; D1389-V1393 PolarHBondContact O-N 2.82Å
1390L54.2Low62.4Low116 Ų116106 Ų10661%0.60753%0.531SS*.Hα-helixtrans-61.8-43.5169.3-95.5162.5000112.5S1386 E1387 Q1392 V1393 S1394S1386-L1390 WeakPolarHBondContact O-CB 3.37Å; S1386-L1390 PolarHBondContact O-N 3.43Å; E1387-L1390 WeakPolarHBondContact O-CB 3.24Å; E1387-L1390 PolarHBondContact O-N 3.37Å; L1390-Q1392 VanDerWaalsContact C-N 3.28Å; L1390-Q1392 PolarHBondContact O-N 3.31Å; L1390-V1393 PolarHBondContact O-N 3.46Å; L1390-S1394 PolarHBondContact O-N 2.82Å; L1390-S1394 PolarHBondContact O-OG 2.61Å
1391A66.4Low62.2Low51 Ų51106.6 Ų106.642%0.42153%0.534SS..Hα-helixtrans-65-31.8174.300000112.7E1387 K1388 N1395E1387-A1391 PolarHBondContact O-N 3.43Å; K1388-A1391 PolarHBondContact O-N 3.37Å; A1391-N1395 PolarHBondContact O-N 3.14Å; A1391-N1395 VanDerWaalsContact O-N 3.11Å; A1391-N1395 PolarHBondContact O-ND2 3.45Å
1392Q66.9Low62.3Low119 Ų119109.1 Ų109.156%0.55654%0.539SS*.Hα-helixtrans-71-39.7173.3-173.6173.4-40.500111.8K1388 D1389 L1390 N1395 Q1396K1388-Q1392 WeakPolarHBondContact O-CB 3.28Å; K1388-Q1392 PolarHBondContact O-N 2.72Å; D1389-Q1392 WeakPolarHBondContact O-CB 3.16Å; D1389-Q1392 PolarHBondContact O-N 3.44Å; L1390-Q1392 VanDerWaalsContact C-N 3.28Å; L1390-Q1392 PolarHBondContact O-N 3.31Å; Q1392-N1395 PolarHBondContact O-N 3.3Å; Q1392-Q1396 WeakPolarHBondContact O-CG 3.48Å; Q1392-Q1396 PolarHBondContact O-N 3.07Å
1393V57.9Low62.3Low85 Ų85108.6 Ų108.652%0.51554%0.54SS..Hα-helixtrans-65.3-37.6172.4170.30000111.4D1389 L1390 Q1396 L1397D1389-V1393 WeakPolarHBondContact O-CG2 3.04Å; D1389-V1393 PolarHBondContact O-N 2.82Å; L1390-V1393 PolarHBondContact O-N 3.46Å; V1393-Q1396 WeakPolarHBondContact O-CB 3.48Å; V1393-Q1396 PolarHBondContact O-N 2.84Å; V1393-L1397 PolarHBondContact O-N 2.77Å
1394S63.1Low62.4Low66 Ų66109.7 Ų109.746%0.46254%0.543SS..Hα-helixtrans-62.1-42.2172.7-62.20000112.4L1390 Q1396 L1397 E1398L1390-S1394 PolarHBondContact O-N 2.82Å; L1390-S1394 PolarHBondContact O-OG 2.61Å; S1394-Q1396 VanDerWaalsContact C-N 3.3Å; S1394-Q1396 PolarHBondContact O-N 2.93Å; S1394-L1397 WeakPolarHBondContact O-CB 3.41Å; S1394-L1397 PolarHBondContact O-N 2.73Å; S1394-E1398 PolarHBondContact O-N 3.02Å
1395N66.3Low62.4Low92 Ų92106.2 Ų106.249%0.49254%0.535SS..Hα-helixtrans-63.1-34.8173.2-94.7-107.4000112.5A1391 Q1392 Q1399A1391-N1395 PolarHBondContact O-N 3.14Å; A1391-N1395 VanDerWaalsContact O-N 3.11Å; A1391-N1395 PolarHBondContact O-ND2 3.45Å; Q1392-N1395 PolarHBondContact O-N 3.3Å; N1395-Q1399 WeakPolarHBondContact O-CG 3.32Å; N1395-Q1399 PolarHBondContact O-N 2.83Å; N1395-Q1399 VanDerWaalsContact O-N 3.09Å
1396Q59.5Low62.4Low106 Ų106101.8 Ų101.850%0.49552%0.524SS..Hα-helixtrans-69.3-34.5174.2-72.4175-27.600112Q1392 V1393 S1394 Q1399 E1400Q1392-Q1396 WeakPolarHBondContact O-CG 3.48Å; Q1392-Q1396 PolarHBondContact O-N 3.07Å; V1393-Q1396 WeakPolarHBondContact O-CB 3.48Å; V1393-Q1396 PolarHBondContact O-N 2.84Å; S1394-Q1396 VanDerWaalsContact C-N 3.3Å; S1394-Q1396 PolarHBondContact O-N 2.93Å; Q1396-Q1399 PolarHBondContact O-N 2.79Å; Q1396-E1400 PolarHBondContact O-N 3.48Å
1397L54.7Low62.6Low113 Ų113103.8 Ų103.859%0.59253%0.529SS*.Hα-helixtrans-68.8-37.5174.6-172.163.9000112.3V1393 S1394 E1400 L1401V1393-L1397 PolarHBondContact O-N 2.77Å; S1394-L1397 WeakPolarHBondContact O-CB 3.41Å; S1394-L1397 PolarHBondContact O-N 2.73Å; L1397-E1400 PolarHBondContact O-N 2.81Å; L1397-L1401 VanDerWaalsContact O-CG 3.32Å; L1397-L1401 WeakPolarHBondContact O-CG 3.44Å; L1397-L1401 PolarHBondContact O-N 3.12Å
1398E62.6Low62.6Low122 Ų122106 Ų10657%0.5754%0.54SS*.Hα-helixtrans-63.4-42.3171-72.2-178.5128.400111.5S1394 E1400 L1401 D1402S1394-E1398 PolarHBondContact O-N 3.02Å; E1398-E1400 PolarHBondContact O-N 3.47Å; E1398-L1401 PolarHBondContact O-N 3.49Å; E1398-D1402 PolarHBondContact O-N 2.65Å
1399Q63.8Low62.6Low120 Ų120107.4 Ų107.456%0.56154%0.541SS*.Hα-helixtrans-65.5-36.1176.6-72.1175.912.300113.4N1395 Q1396 L1403N1395-Q1399 WeakPolarHBondContact O-CG 3.32Å; N1395-Q1399 PolarHBondContact O-N 2.83Å; N1395-Q1399 VanDerWaalsContact O-N 3.09Å; Q1396-Q1399 PolarHBondContact O-N 2.79Å; Q1399-L1403 WeakPolarHBondContact O-CB 3.22Å; Q1399-L1403 WeakPolarHBondContact O-CG 3.17Å; Q1399-L1403 PolarHBondContact O-N 2.72Å
1400E53.1Low62.9Low127 Ų127109.6 Ų109.659%0.59355%0.548SS*.Hα-helixtrans-66.9-35.5171.6-82.2-71.4155.600112.5Q1396 L1397 E1398 R1404Q1396-E1400 PolarHBondContact O-N 3.48Å; L1397-E1400 PolarHBondContact O-N 2.81Å; E1398-E1400 PolarHBondContact O-N 3.47Å; E1400-R1404 WeakPolarHBondContact O-CB 3.46Å; E1400-R1404 PolarHBondContact O-N 2.85Å
1401L61.5Low63.2Low97 Ų97109 Ų10951%0.50855%0.545SS..Hα-helixtrans-68.4-40.6174.8-73.2168.4000112.1L1397 E1398 R1404 S1405L1397-L1401 VanDerWaalsContact O-CG 3.32Å; L1397-L1401 WeakPolarHBondContact O-CG 3.44Å; L1397-L1401 PolarHBondContact O-N 3.12Å; E1398-L1401 PolarHBondContact O-N 3.49Å; L1401-R1404 WeakPolarHBondContact O-CB 3.5Å; L1401-R1404 PolarHBondContact O-N 3.11Å; L1401-S1405 PolarHBondContact O-N 3.38Å
1402D69.7Low63.3Low114 Ų114109.6 Ų109.661%0.6155%0.55SS**Hα-helixtrans-63.7-46.3173-86.5-15.6000111.6E1398 R1404 S1405 D1406E1398-D1402 PolarHBondContact O-N 2.65Å; D1402-R1404 VanDerWaalsContact C-N 3.28Å; D1402-R1404 PolarHBondContact O-N 3.38Å; D1402-S1405 WeakPolarHBondContact O-CB 3.22Å; D1402-S1405 PolarHBondContact O-N 3Å; D1402-S1405 PolarHBondContact O-OG 2.86Å; D1402-D1406 PolarHBondContact O-N 2.86Å; D1402-D1406 VanDerWaalsContact O-N 3.13Å
1403L63.2Low63.6Low99 Ų99110.6 Ų110.652%0.51855%0.553SS.*Hα-helixtrans-57.6-39.1175.4-82.9165.5000112.4Q1399 S1405 D1406 L1407Q1399-L1403 WeakPolarHBondContact O-CB 3.22Å; Q1399-L1403 WeakPolarHBondContact O-CG 3.17Å; Q1399-L1403 PolarHBondContact O-N 2.72Å; L1403-S1405 VanDerWaalsContact C-N 3.31Å; L1403-S1405 PolarHBondContact O-N 2.82Å; L1403-D1406 PolarHBondContact O-N 3.22Å; L1403-L1407 WeakPolarHBondContact O-CB 3.07Å; L1403-L1407 WeakPolarHBondContact O-CG 3.37Å; L1403-L1407 PolarHBondContact O-N 3Å
1404R64.4Low63.9Low176 Ų176108.8 Ų108.866%0.66455%0.547SS*.Hα-helixtrans-63.2-36.7174.5-172.5178.7-179.5-171.50.4112.2E1400 L1401 D1402 Q1408E1400-R1404 WeakPolarHBondContact O-CB 3.46Å; E1400-R1404 PolarHBondContact O-N 2.85Å; L1401-R1404 WeakPolarHBondContact O-CB 3.5Å; L1401-R1404 PolarHBondContact O-N 3.11Å; D1402-R1404 VanDerWaalsContact C-N 3.28Å; D1402-R1404 PolarHBondContact O-N 3.38Å; R1404-Q1408 PolarHBondContact O-N 3.24Å; R1404-Q1408 VanDerWaalsContact O-N 3.16Å
1405S66.5Low64Low61 Ų61112.3 Ų112.343%0.42755%0.554SS.*Hα-helixtrans-67.2-42.7177.4850000112.1L1401 D1402 L1403 Q1408 R1409L1401-S1405 PolarHBondContact O-N 3.38Å; D1402-S1405 WeakPolarHBondContact O-CB 3.22Å; D1402-S1405 PolarHBondContact O-N 3Å; D1402-S1405 PolarHBondContact O-OG 2.86Å; L1403-S1405 VanDerWaalsContact C-N 3.31Å; L1403-S1405 PolarHBondContact O-N 2.82Å; S1405-Q1408 WeakPolarHBondContact O-CB 3.24Å; S1405-Q1408 PolarHBondContact O-N 3.47Å; S1405-R1409 PolarHBondContact O-N 3.29Å
1406D69.6Low64.1Low76 Ų76110.8 Ų110.841%0.40655%0.554SS.*Hα-helixtrans-75.1-30.7-178.2-124.610.8000111.8D1402 L1403 R1409 Q1410D1402-D1406 PolarHBondContact O-N 2.86Å; D1402-D1406 VanDerWaalsContact O-N 3.13Å; L1403-D1406 PolarHBondContact O-N 3.22Å; D1406-R1409 WeakPolarHBondContact O-CB 3.34Å; D1406-R1409 PolarHBondContact O-N 3.21Å; D1406-R1409 WeakPolarHBondContact OD1-CD 3.38Å; D1406-R1409 IonicContact OD1-NH1 3.11Å; D1406-Q1410 WeakPolarHBondContact O-CG 3.32Å; D1406-Q1410 PolarHBondContact O-N 3.46Å
1407L61Low64.5Low109 Ų109111.1 Ų111.157%0.57156%0.555SS**Hα-helixtrans-63.3-41.1168.1-77.7170.1000112.4L1403 R1409 Q1410 L1411L1403-L1407 WeakPolarHBondContact O-CB 3.07Å; L1403-L1407 WeakPolarHBondContact O-CG 3.37Å; L1403-L1407 PolarHBondContact O-N 3Å; L1407-R1409 VanDerWaalsContact C-N 3.27Å; L1407-R1409 PolarHBondContact O-N 2.69Å; L1407-Q1410 PolarHBondContact O-N 3.25Å; L1407-L1411 WeakPolarHBondContact O-CB 3.48Å; L1407-L1411 PolarHBondContact O-N 2.66Å
1408Q60.1Low65Low142 Ų142111.4 Ų111.466%0.66456%0.556SS**Hα-helixtrans-60-40171.8-109.7179.6-31.900111.5R1404 S1405 L1411 A1412R1404-Q1408 PolarHBondContact O-N 3.24Å; R1404-Q1408 VanDerWaalsContact O-N 3.16Å; S1405-Q1408 WeakPolarHBondContact O-CB 3.24Å; S1405-Q1408 PolarHBondContact O-N 3.47Å; Q1408-L1411 PolarHBondContact O-N 2.87Å; Q1408-A1412 PolarHBondContact O-N 2.63Å; Q1408-A1412 VanDerWaalsContact O-N 3.14Å
1409R70Confident65Low186 Ų186112.4 Ų112.470%0.70256%0.561SS**Hα-helixtrans-67.9-39178.9-159.4179.9-172.3-173.64.6112.9S1405 D1406 L1407 K1413S1405-R1409 PolarHBondContact O-N 3.29Å; D1406-R1409 WeakPolarHBondContact O-CB 3.34Å; D1406-R1409 PolarHBondContact O-N 3.21Å; D1406-R1409 WeakPolarHBondContact OD1-CD 3.38Å; D1406-R1409 IonicContact OD1-NH1 3.11Å; L1407-R1409 VanDerWaalsContact C-N 3.27Å; L1407-R1409 PolarHBondContact O-N 2.69Å; R1409-K1413 PolarHBondContact O-N 2.98Å
1410Q66.5Low65.2Low124 Ų124110.1 Ų110.158%0.57956%0.558SS**Hα-helixtrans-67.6-41.5174-70.8-179.232.200112D1406 L1407 A1412 K1413 A1414D1406-Q1410 WeakPolarHBondContact O-CG 3.32Å; D1406-Q1410 PolarHBondContact O-N 3.46Å; L1407-Q1410 PolarHBondContact O-N 3.25Å; Q1410-A1412 VanDerWaalsContact C-N 3.33Å; Q1410-A1412 PolarHBondContact O-N 3.26Å; Q1410-K1413 WeakPolarHBondContact O-CB 3.42Å; Q1410-K1413 PolarHBondContact O-N 3.38Å; Q1410-K1413 VanDerWaalsContact O-N 3.07Å; Q1410-A1414 PolarHBondContact O-N 2.86Å
1411L61.2Low65.5Low103 Ų103109.1 Ų109.154%0.53956%0.556SS.*Hα-helixtrans-64.4-36.2179.1-168.4151.4000112.4L1407 Q1408 K1413 K1415L1407-L1411 WeakPolarHBondContact O-CB 3.48Å; L1407-L1411 PolarHBondContact O-N 2.66Å; Q1408-L1411 PolarHBondContact O-N 2.87Å; L1411-K1413 VanDerWaalsContact C-N 3.33Å; L1411-K1415 HydrophobicContact CD2-CD 4.14Å; L1411-K1415 PolarHBondContact O-N 3.37Å
1412A67.9Low65.4Low64 Ų64113 Ų11353%0.52956%0.564SS.*Hα-helixtrans-62.3-39.4171.400000112.3Q1408 Q1410 A1416Q1408-A1412 PolarHBondContact O-N 2.63Å; Q1408-A1412 VanDerWaalsContact O-N 3.14Å; Q1410-A1412 VanDerWaalsContact C-N 3.33Å; Q1410-A1412 PolarHBondContact O-N 3.26Å; A1412-A1416 PolarHBondContact O-N 2.69Å
1413K73Confident64.8Low141 Ų141111.9 Ų111.961%0.61356%0.561SS**Hα-helixtrans-68.5-44.8-179.6-153.1-179.2-177.2-1690112.3R1409 Q1410 L1411 K1415 A1416 E1417R1409-K1413 PolarHBondContact O-N 2.98Å; Q1410-K1413 WeakPolarHBondContact O-CB 3.42Å; Q1410-K1413 PolarHBondContact O-N 3.38Å; Q1410-K1413 VanDerWaalsContact O-N 3.07Å; L1411-K1413 VanDerWaalsContact C-N 3.33Å; K1413-K1415 VanDerWaalsContact C-N 3.3Å; K1413-K1415 PolarHBondContact O-N 3.18Å; K1413-A1416 PolarHBondContact O-N 3.34Å; K1413-A1416 VanDerWaalsContact O-N 3.14Å; K1413-E1417 PolarHBondContact O-N 2.79Å
1414A64.5Low64.7Low47 Ų47111.1 Ų111.139%0.38856%0.561SS.*Hα-helixtrans-60.9-36.1177.200000112.9Q1410 A1416 E1417 I1418Q1410-A1414 PolarHBondContact O-N 2.86Å; A1414-A1416 VanDerWaalsContact C-N 3.34Å; A1414-A1416 PolarHBondContact O-N 2.94Å; A1414-E1417 PolarHBondContact O-N 3.3Å; A1414-I1418 WeakPolarHBondContact O-CG1 3.49Å; A1414-I1418 PolarHBondContact O-N 2.86Å; A1414-I1418 VanDerWaalsContact O-N 3.15Å
1415K64.4Low64.1Low140 Ų140110 Ų11061%0.60956%0.561SS**Hα-helixtrans-62.9-37.8174.9-77.4-178.6173.6-179.30112.8L1411 K1413 Q1419L1411-K1415 HydrophobicContact CD2-CD 4.14Å; L1411-K1415 PolarHBondContact O-N 3.37Å; K1413-K1415 VanDerWaalsContact C-N 3.3Å; K1413-K1415 PolarHBondContact O-N 3.18Å; K1415-Q1419 PolarHBondContact O-N 3.44Å
1416A68.1Low63.6Low59 Ų59113.4 Ų113.449%0.48857%0.57SS.*Hα-helixtrans-69-39.6177.500000112.5A1412 K1413 A1414 Q1419 S1420A1412-A1416 PolarHBondContact O-N 2.69Å; K1413-A1416 PolarHBondContact O-N 3.34Å; K1413-A1416 VanDerWaalsContact O-N 3.14Å; A1414-A1416 VanDerWaalsContact C-N 3.34Å; A1414-A1416 PolarHBondContact O-N 2.94Å; A1416-Q1419 PolarHBondContact O-N 2.88Å; A1416-S1420 PolarHBondContact O-N 3.33Å
1417E67.9Low63Low113 Ų113117.9 Ų117.953%0.52859%0.588SS.*Hα-helixtrans-66-41.3178.3-70.9174.3-177.200112K1413 A1414 Q1419 S1420 I1421K1413-E1417 PolarHBondContact O-N 2.79Å; A1414-E1417 PolarHBondContact O-N 3.3Å; E1417-Q1419 VanDerWaalsContact C-N 3.29Å; E1417-Q1419 PolarHBondContact O-N 3.27Å; E1417-S1420 PolarHBondContact O-N 2.61Å; E1417-I1421 WeakPolarHBondContact O-CG1 3.24Å; E1417-I1421 PolarHBondContact O-N 3.41Å
1418I66.6Low62.6Low120 Ų120121.1 Ų121.162%0.61560%0.6SS**Hα-helixtrans-59.8-39.8173.9-69.9168.3000111.5A1414 R1422A1414-I1418 WeakPolarHBondContact O-CG1 3.49Å; A1414-I1418 PolarHBondContact O-N 2.86Å; A1414-I1418 VanDerWaalsContact O-N 3.15Å; I1418-R1422 PolarHBondContact O-N 2.81Å
1419Q61.3Low62.1Low143 Ų143120.7 Ų120.767%0.66860%0.602SS**Hα-helixtrans-70.2-38.6-179.3-155.3166.1900111.8K1415 A1416 E1417 R1422 T1423K1415-Q1419 PolarHBondContact O-N 3.44Å; A1416-Q1419 PolarHBondContact O-N 2.88Å; E1417-Q1419 VanDerWaalsContact C-N 3.29Å; E1417-Q1419 PolarHBondContact O-N 3.27Å; Q1419-R1422 PolarHBondContact O-N 2.83Å; Q1419-T1423 PolarHBondContact O-N 3.41Å; Q1419-T1423 PolarHBondContact O-OG1 2.78Å
1420S68.5Low61Low71 Ų71119.1 Ų119.150%0.49761%0.607SS.*Hα-helixtrans-61-48.3173.6-179.30000112.8A1416 E1417 R1422 T1423 T1424A1416-S1420 PolarHBondContact O-N 3.33Å; E1417-S1420 PolarHBondContact O-N 2.61Å; S1420-R1422 VanDerWaalsContact C-N 3.25Å; S1420-R1422 PolarHBondContact O-N 3.26Å; S1420-T1423 PolarHBondContact O-N 3.21Å; S1420-T1423 PolarHBondContact O-OG1 2.88Å; S1420-T1424 PolarHBondContact O-N 2.91Å
1421I58.6Low60.2Low106 Ų106122.6 Ų122.654%0.54462%0.62SS.*Hα-helixtrans-62.4-33.6179.5-67.8166.7000111.5E1417 T1424 F1425E1417-I1421 WeakPolarHBondContact O-CG1 3.24Å; E1417-I1421 PolarHBondContact O-N 3.41Å; I1421-T1424 PolarHBondContact O-N 2.98Å; I1421-T1424 PolarHBondContact O-OG1 3.4Å; I1421-T1424 VanDerWaalsContact O-OG1 3.08Å; I1421-F1425 PolarHBondContact O-N 3.35Å
1422R60Low59.5Low179 Ų179126.9 Ų126.968%0.67563%0.634SS**Hα-helixtrans-65.1-44.1176.6-151.7173.4-170.8167.54.6111.6I1418 Q1419 S1420 T1424 F1425 E1426I1418-R1422 PolarHBondContact O-N 2.81Å; Q1419-R1422 PolarHBondContact O-N 2.83Å; S1420-R1422 VanDerWaalsContact C-N 3.25Å; S1420-R1422 PolarHBondContact O-N 3.26Å; R1422-T1424 PolarHBondContact O-N 3.07Å; R1422-F1425 PolarHBondContact O-N 3.37Å; R1422-E1426 PolarHBondContact O-N 2.79Å
1423T57.9Low58.6Low91 Ų91126 Ų12656%0.55862%0.622SS**Hα-helixtrans-68.4-26.3178.8440000114.8Q1419 S1420Q1419-T1423 PolarHBondContact O-N 3.41Å; Q1419-T1423 PolarHBondContact O-OG1 2.78Å; S1420-T1423 PolarHBondContact O-N 3.21Å; S1420-T1423 PolarHBondContact O-OG1 2.88Å
1424T61Low57.5Low83 Ų83128.2 Ų128.251%0.50964%0.635SS.*Hα-helixtrans-80.1-36.1174.252.60000112.3S1420 I1421 R1422 E1426 H1427S1420-T1424 PolarHBondContact O-N 2.91Å; I1421-T1424 PolarHBondContact O-N 2.98Å; I1421-T1424 PolarHBondContact O-OG1 3.4Å; I1421-T1424 VanDerWaalsContact O-OG1 3.08Å; R1422-T1424 PolarHBondContact O-N 3.07Å; T1424-E1426 VanDerWaalsContact C-N 3.28Å; T1424-E1426 PolarHBondContact O-N 3.41Å; T1424-H1427 PolarHBondContact O-N 3.38Å
1425F50.9Low56.7Low153 Ų153135 Ų13567%0.67166%0.659SS**Hα-helixtrans-66.8-27.9179.8-133.9-86.7000113.6I1421 R1422 H1427 L1429I1421-F1425 PolarHBondContact O-N 3.35Å; R1422-F1425 PolarHBondContact O-N 3.37Å; F1425-H1427 VanDerWaalsContact C-N 3.34Å; F1425-H1427 PolarHBondContact O-N 2.8Å; F1425-L1429 HydrophobicContact CE1-CD1 4.47Å
1426E57.5Low56.1Low132 Ų132133.3 Ų133.362%0.61766%0.656SS**THydrogen-bonded Turntrans-81.8-2.2-178-72.1175.8-176.600114.5R1422 T1424R1422-E1426 PolarHBondContact O-N 2.79Å; T1424-E1426 VanDerWaalsContact C-N 3.28Å; T1424-E1426 PolarHBondContact O-N 3.41Å
1427H56.1Low55.5Low169 Ų169133.1 Ų133.178%0.78265%0.646SS**THydrogen-bonded Turntrans-116.7-22.1-173-10732.9000117.3T1424 F1425T1424-H1427 PolarHBondContact O-N 3.38Å; F1425-H1427 VanDerWaalsContact C-N 3.34Å; F1425-H1427 PolarHBondContact O-N 2.8Å
1428E52.8Low55Low177 Ų177132.4 Ų132.483%0.82765%0.646SS**SBendtrans-102-19.5-168-64.9-159.3132.800117
1429L48.9Very low54.5Low133 Ų133129.4 Ų129.470%0.69664%0.639SS**  trans-105.76-164.2-83.6165.3000116.9F1425 K1431F1425-L1429 HydrophobicContact CE1-CD1 4.47Å; L1429-K1431 VanDerWaalsContact C-N 3.28Å; L1429-K1431 PolarHBondContact O-N 3.35Å
1430L48.2Very low54.6Low154 Ų154127 Ų12781%0.80663%0.627SS**THydrogen-bonded Turntrans-80.942.5-164.7-136.6168.4000114.9
1431K48.7Very low54.5Low197 Ų197129.5 Ų129.586%0.85763%0.628SS**THydrogen-bonded Turntrans-142.94.3-163.3-116.8172.8-1751720120.7L1429L1429-K1431 VanDerWaalsContact C-N 3.28Å; L1429-K1431 PolarHBondContact O-N 3.35Å
1432K46.7Very low55Low193 Ų193129 Ų12984%0.83963%0.63SS**SBendtrans-156.259-178-68.9-167.4175.1-176.30115.2
1433T48.7Very low55.3Low46 Ų46125.9 Ų125.928%0.28263%0.627SS.*  trans-136.5-10.3-161.5180000120.7E1435 L1436 D1437T1433-E1435 PolarHBondContact O-N 3.46Å; T1433-L1436 HydrophobicContact CG2-CB 4.42Å; T1433-L1436 CarbonylContact O-C 3.49Å; T1433-L1436 WeakPolarHBondContact O-CA 3.33Å; T1433-L1436 WeakPolarHBondContact O-CB 3.46Å; T1433-L1436 PolarHBondContact O-N 2.96Å; T1433-D1437 WeakPolarHBondContact CB-OD2 3.28Å; T1433-D1437 WeakPolarHBondContact O-CB 3.26Å; T1433-D1437 PolarHBondContact O-N 3.28Å
1434E50.3Low56Low186 Ų186126.2 Ų126.287%0.86963%0.625SS**Hα-helixtrans-59.6-49.8-166-65.1-175.4144.700115.5L1436 D1437E1434-L1436 PolarHBondContact O-N 2.85Å; E1434-D1437 PolarHBondContact O-N 3.44Å
1435E48.5Very low56.6Low191 Ų191128.3 Ų128.389%0.89363%0.632SS**Hα-helixtrans-72.7-17.3174.3-66.3-172.5154.600113.5T1433T1433-E1435 PolarHBondContact O-N 3.46Å
1436L51.6Low57.6Low104 Ų104129.9 Ų129.955%0.54563%0.633SS.*Hα-helixtrans-82.6-31.9177.5-130.5167.3000111T1433 E1434 D1438 A1439 K1440T1433-L1436 HydrophobicContact CG2-CB 4.42Å; T1433-L1436 CarbonylContact O-C 3.49Å; T1433-L1436 WeakPolarHBondContact O-CA 3.33Å; T1433-L1436 WeakPolarHBondContact O-CB 3.46Å; T1433-L1436 PolarHBondContact O-N 2.96Å; E1434-L1436 PolarHBondContact O-N 2.85Å; L1436-D1438 PolarHBondContact O-N 3.01Å; L1436-A1439 PolarHBondContact O-N 2.96Å; L1436-K1440 HydrophobicContact CD2-CB 4.44Å; L1436-K1440 WeakPolarHBondContact O-CB 3.17Å; L1436-K1440 PolarHBondContact O-N 3.37Å
1437D55.2Low58.1Low54 Ų54127.1 Ų127.129%0.28963%0.625SS.*Hα-helixtrans-71.7-27.4-168.9-86-21.5000114T1433 E1434 K1440 K1441T1433-D1437 WeakPolarHBondContact CB-OD2 3.28Å; T1433-D1437 WeakPolarHBondContact O-CB 3.26Å; T1433-D1437 PolarHBondContact O-N 3.28Å; E1434-D1437 PolarHBondContact O-N 3.44Å; D1437-K1440 WeakPolarHBondContact OD1-CD 3.47Å; D1437-K1440 IonicContact OD1-NZ 3.98Å; D1437-K1440 PolarHBondContact OD1-NZ 2.87Å; D1437-K1441 VanDerWaalsContact O-CB 3.3Å; D1437-K1441 WeakPolarHBondContact O-CB 3.39Å; D1437-K1441 WeakPolarHBondContact O-CG 3.5Å; D1437-K1441 PolarHBondContact O-N 3.36Å
1438D56.2Low59.1Low98 Ų98122.9 Ų122.952%0.52461%0.609SS.*Hα-helixtrans-80-36.3174.3-90.23.8000113L1436 K1440 K1441 T1442L1436-D1438 PolarHBondContact O-N 3.01Å; D1438-K1440 VanDerWaalsContact C-N 3.32Å; D1438-K1441 PolarHBondContact O-N 2.97Å; D1438-K1441 WeakPolarHBondContact OD1-CD 3.35Å; D1438-K1441 WeakPolarHBondContact OD1-CE 3.46Å; D1438-K1441 IonicContact OD1-NZ 3.65Å; D1438-K1441 PolarHBondContact OD1-NZ 3.37Å; D1438-T1442 WeakPolarHBondContact O-CB 3.34Å; D1438-T1442 PolarHBondContact O-N 2.91Å; D1438-T1442 PolarHBondContact O-OG1 2.99Å
1439A57Low60.1Low57 Ų57117.3 Ų117.347%0.47159%0.593SS.*Hα-helixtrans-63.6-41.6168.600000110.8L1436 T1442 L1443L1436-A1439 PolarHBondContact O-N 2.96Å; A1439-T1442 PolarHBondContact O-N 3.48Å; A1439-L1443 WeakPolarHBondContact O-CB 3.27Å; A1439-L1443 PolarHBondContact O-N 3.15Å
1440K63.1Low61.1Low94 Ų94116.8 Ų116.841%0.40959%0.588SS.*Hα-helixtrans-70-35.7176.9-178.5179.3160.6-151.60112.6L1436 D1437 D1438 L1444L1436-K1440 HydrophobicContact CD2-CB 4.44Å; L1436-K1440 WeakPolarHBondContact O-CB 3.17Å; L1436-K1440 PolarHBondContact O-N 3.37Å; D1437-K1440 WeakPolarHBondContact OD1-CD 3.47Å; D1437-K1440 IonicContact OD1-NZ 3.98Å; D1437-K1440 PolarHBondContact OD1-NZ 2.87Å; D1438-K1440 VanDerWaalsContact C-N 3.32Å; K1440-L1444 VanDerWaalsContact O-CB 3.31Å; K1440-L1444 WeakPolarHBondContact O-CB 3.19Å; K1440-L1444 PolarHBondContact O-N 2.91Å
1441K66.8Low62.3Low122 Ų122114 Ų11453%0.5357%0.571SS.*Hα-helixtrans-63-45168-83.7175.1-158.6154.20111.4D1437 D1438 L1443 L1444 L1445D1437-K1441 VanDerWaalsContact O-CB 3.3Å; D1437-K1441 WeakPolarHBondContact O-CB 3.39Å; D1437-K1441 WeakPolarHBondContact O-CG 3.5Å; D1437-K1441 PolarHBondContact O-N 3.36Å; D1438-K1441 PolarHBondContact O-N 2.97Å; D1438-K1441 WeakPolarHBondContact OD1-CD 3.35Å; D1438-K1441 WeakPolarHBondContact OD1-CE 3.46Å; D1438-K1441 IonicContact OD1-NZ 3.65Å; D1438-K1441 PolarHBondContact OD1-NZ 3.37Å; K1441-L1443 VanDerWaalsContact C-N 3.32Å; K1441-L1443 PolarHBondContact O-N 3.06Å; K1441-L1444 PolarHBondContact O-N 3.08Å; K1441-L1445 WeakPolarHBondContact O-CB 3.15Å; K1441-L1445 WeakPolarHBondContact O-CG 3.21Å; K1441-L1445 PolarHBondContact O-N 2.99Å
1442T68.9Low63.7Low96 Ų96109 Ų10959%0.58956%0.557SS**Hα-helixtrans-65-39.8-179.5-55.80000110.8D1438 A1439 R1446D1438-T1442 WeakPolarHBondContact O-CB 3.34Å; D1438-T1442 PolarHBondContact O-N 2.91Å; D1438-T1442 PolarHBondContact O-OG1 2.99Å; A1439-T1442 PolarHBondContact O-N 3.48Å; T1442-R1446 WeakPolarHBondContact O-CB 3.4Å; T1442-R1446 PolarHBondContact O-N 2.64Å; T1442-R1446 VanDerWaalsContact O-N 3.16Å
1443L65.5Low65.2Low114 Ų114105.6 Ų105.660%0.59754%0.544SS*.Hα-helixtrans-66.1-45.7168.8-79.5163.9000112.1A1439 K1441 L1445 R1446 T1447A1439-L1443 WeakPolarHBondContact O-CB 3.27Å; A1439-L1443 PolarHBondContact O-N 3.15Å; K1441-L1443 VanDerWaalsContact C-N 3.32Å; K1441-L1443 PolarHBondContact O-N 3.06Å; L1443-L1445 VanDerWaalsContact C-N 3.34Å; L1443-L1445 PolarHBondContact O-N 3.3Å; L1443-R1446 PolarHBondContact O-N 3.22Å; L1443-R1446 VanDerWaalsContact O-N 3.14Å; L1443-T1447 WeakPolarHBondContact O-CB 3.34Å; L1443-T1447 PolarHBondContact O-N 2.96Å; L1443-T1447 PolarHBondContact O-OG1 2.89Å; L1443-T1447 VanDerWaalsContact O-OG1 3.07Å
1444L73Confident66.5Low98 Ų98109.3 Ų109.351%0.51356%0.562SS.*Hα-helixtrans-59-43.6177.9-124.577.9000111.9K1440 K1441 R1446 T1447 N1448K1440-L1444 VanDerWaalsContact O-CB 3.31Å; K1440-L1444 WeakPolarHBondContact O-CB 3.19Å; K1440-L1444 PolarHBondContact O-N 2.91Å; K1441-L1444 PolarHBondContact O-N 3.08Å; L1444-R1446 VanDerWaalsContact C-N 3.34Å; L1444-R1446 PolarHBondContact O-N 3Å; L1444-T1447 PolarHBondContact O-N 3.25Å; L1444-N1448 WeakPolarHBondContact O-CB 3.17Å; L1444-N1448 PolarHBondContact O-N 3.39Å; L1444-N1448 PolarHBondContact O-OD1 2.78Å
1445L73.6Confident67.7Low126 Ų126105.8 Ų105.866%0.6655%0.545SS*.Hα-helixtrans-63.8-40.2177-78165.7000111.3K1441 L1443 A1449K1441-L1445 WeakPolarHBondContact O-CB 3.15Å; K1441-L1445 WeakPolarHBondContact O-CG 3.21Å; K1441-L1445 PolarHBondContact O-N 2.99Å; L1443-L1445 VanDerWaalsContact C-N 3.34Å; L1443-L1445 PolarHBondContact O-N 3.3Å; L1445-A1449 WeakPolarHBondContact O-CB 3.35Å; L1445-A1449 PolarHBondContact O-N 2.92Å
1446R71.5Confident69.1Low186 Ų186103.3 Ų103.370%0.70253%0.532SS*.Hα-helixtrans-73.2-39.4178.1-165.6171.1-172.2158.23112.6T1442 L1443 L1444 M1450T1442-R1446 WeakPolarHBondContact O-CB 3.4Å; T1442-R1446 PolarHBondContact O-N 2.64Å; T1442-R1446 VanDerWaalsContact O-N 3.16Å; L1443-R1446 PolarHBondContact O-N 3.22Å; L1443-R1446 VanDerWaalsContact O-N 3.14Å; L1444-R1446 VanDerWaalsContact C-N 3.34Å; L1444-R1446 PolarHBondContact O-N 3Å; R1446-M1450 WeakPolarHBondContact O-CB 3.33Å; R1446-M1450 WeakPolarHBondContact O-CG 3.34Å; R1446-M1450 PolarHBondContact O-N 3.34Å
1447T69.1Low70.3Confident74 Ų74102.1 Ų102.145%0.45453%0.526SS..Hα-helixtrans-65.6-47.5173.5-62.90000110.4L1443 L1444 A1449 M1450 Q1451L1443-T1447 WeakPolarHBondContact O-CB 3.34Å; L1443-T1447 PolarHBondContact O-N 2.96Å; L1443-T1447 PolarHBondContact O-OG1 2.89Å; L1443-T1447 VanDerWaalsContact O-OG1 3.07Å; L1444-T1447 PolarHBondContact O-N 3.25Å; T1447-A1449 PolarHBondContact O-N 3.29Å; T1447-M1450 CarbonylContact O-C 3.41Å; T1447-M1450 PolarHBondContact O-N 3.08Å; T1447-Q1451 WeakPolarHBondContact O-CB 3.44Å; T1447-Q1451 PolarHBondContact O-N 3.12Å
1448N76.3Confident71.4Confident80 Ų80102.8 Ų102.843%0.42854%0.535SS..Hα-helixtrans-62.4-40.2175.7-70.9-0.1000111.7L1444 Q1451 V1452L1444-N1448 WeakPolarHBondContact O-CB 3.17Å; L1444-N1448 PolarHBondContact O-N 3.39Å; L1444-N1448 PolarHBondContact O-OD1 2.78Å; N1448-Q1451 PolarHBondContact O-N 3.35Å; N1448-V1452 WeakPolarHBondContact O-CB 3.34Å; N1448-V1452 WeakPolarHBondContact O-CG2 3.21Å; N1448-V1452 PolarHBondContact O-N 2.88Å
1449A73.9Confident72.4Confident61 Ų61101 Ų10150%0.50453%0.534SS..Hα-helixtrans-63.5-47.1175.400000111.8L1445 T1447 Q1451 V1452 E1453L1445-A1449 WeakPolarHBondContact O-CB 3.35Å; L1445-A1449 PolarHBondContact O-N 2.92Å; T1447-A1449 PolarHBondContact O-N 3.29Å; A1449-Q1451 VanDerWaalsContact C-N 3.29Å; A1449-Q1451 PolarHBondContact O-N 3.01Å; A1449-V1452 PolarHBondContact O-N 2.92Å; A1449-E1453 WeakPolarHBondContact O-CB 3.42Å; A1449-E1453 PolarHBondContact O-N 3.33Å
1450M70.8Confident73.4Confident121 Ų121104.1 Ų104.160%0.59654%0.536SS*.Hα-helixtrans-63.3-35.5173.3-74.4-175.567.200112.1R1446 T1447 E1453 L1454R1446-M1450 WeakPolarHBondContact O-CB 3.33Å; R1446-M1450 WeakPolarHBondContact O-CG 3.34Å; R1446-M1450 PolarHBondContact O-N 3.34Å; T1447-M1450 CarbonylContact O-C 3.41Å; T1447-M1450 PolarHBondContact O-N 3.08Å; M1450-E1453 PolarHBondContact O-N 3.35Å; M1450-L1454 VanDerWaalsContact O-CB 3.25Å; M1450-L1454 WeakPolarHBondContact O-CB 3.41Å; M1450-L1454 PolarHBondContact O-N 3.36Å
1451Q73.4Confident74.1Confident95 Ų95104.3 Ų104.344%0.44454%0.541SS..Hα-helixtrans-72.6-38.3-179.4-174.4170.6-20.400111.5T1447 N1448 A1449 E1453 L1454 E1455T1447-Q1451 WeakPolarHBondContact O-CB 3.44Å; T1447-Q1451 PolarHBondContact O-N 3.12Å; N1448-Q1451 PolarHBondContact O-N 3.35Å; A1449-Q1451 VanDerWaalsContact C-N 3.29Å; A1449-Q1451 PolarHBondContact O-N 3.01Å; Q1451-E1453 VanDerWaalsContact C-N 3.33Å; Q1451-L1454 PolarHBondContact O-N 2.92Å; Q1451-E1455 PolarHBondContact NE2-OE1 3.13Å; Q1451-E1455 VanDerWaalsContact O-CB 3.25Å; Q1451-E1455 WeakPolarHBondContact O-CB 3.31Å; Q1451-E1455 VanDerWaalsContact O-CG 3.25Å; Q1451-E1455 WeakPolarHBondContact O-CG 3.28Å; Q1451-E1455 PolarHBondContact O-N 3.44Å
1452V77.8Confident74.7Confident94 Ų94100.6 Ų100.657%0.5753%0.53SS*.Hα-helixtrans-65.2-36.7169.6168.10000111.3N1448 A1449 K1456N1448-V1452 WeakPolarHBondContact O-CB 3.34Å; N1448-V1452 WeakPolarHBondContact O-CG2 3.21Å; N1448-V1452 PolarHBondContact O-N 2.88Å; A1449-V1452 PolarHBondContact O-N 2.92Å; V1452-K1456 WeakPolarHBondContact O-CB 3.32Å; V1452-K1456 PolarHBondContact O-N 3.23Å
1453E78Confident75Confident121 Ų12198.8 Ų98.857%0.56552%0.522SS*.Hα-helixtrans-69.4-38.6175.2-167.4156.5-125.400111.9A1449 M1450 Q1451 K1456 D1457A1449-E1453 WeakPolarHBondContact O-CB 3.42Å; A1449-E1453 PolarHBondContact O-N 3.33Å; M1450-E1453 PolarHBondContact O-N 3.35Å; Q1451-E1453 VanDerWaalsContact C-N 3.33Å; E1453-K1456 WeakPolarHBondContact O-CB 3.41Å; E1453-K1456 PolarHBondContact O-N 3.14Å; E1453-D1457 PolarHBondContact O-N 2.85Å
1454L75.2Confident75.5Confident124 Ų12498.5 Ų98.565%0.64952%0.52SS*.Hα-helixtrans-74-35176.2-147.9165.1000111.9M1450 Q1451 S1458M1450-L1454 VanDerWaalsContact O-CB 3.25Å; M1450-L1454 WeakPolarHBondContact O-CB 3.41Å; M1450-L1454 PolarHBondContact O-N 3.36Å; Q1451-L1454 PolarHBondContact O-N 2.92Å; L1454-S1458 WeakPolarHBondContact O-CA 3.24Å; L1454-S1458 WeakPolarHBondContact O-CB 3.19Å; L1454-S1458 PolarHBondContact O-N 3.41Å
1455E77.4Confident75.5Confident112 Ų11298.3 Ų98.352%0.52352%0.517SS..Hα-helixtrans-66.4-39.6170.1-79.2171.3-165.700111.1Q1451 S1458 A1459Q1451-E1455 PolarHBondContact NE2-OE1 3.13Å; Q1451-E1455 VanDerWaalsContact O-CB 3.25Å; Q1451-E1455 WeakPolarHBondContact O-CB 3.31Å; Q1451-E1455 VanDerWaalsContact O-CG 3.25Å; Q1451-E1455 WeakPolarHBondContact O-CG 3.28Å; Q1451-E1455 PolarHBondContact O-N 3.44Å; E1455-S1458 PolarHBondContact O-N 3.33Å; E1455-A1459 WeakPolarHBondContact O-CB 3.31Å; E1455-A1459 PolarHBondContact O-N 3.04Å
1456K76.8Confident75.7Confident138 Ų13899.1 Ų99.160%0.652%0.515SS*.Hα-helixtrans-64.6-45.8174175.2-173.7174.2-168.20111.9V1452 E1453 K1460V1452-K1456 WeakPolarHBondContact O-CB 3.32Å; V1452-K1456 PolarHBondContact O-N 3.23Å; E1453-K1456 WeakPolarHBondContact O-CB 3.41Å; E1453-K1456 PolarHBondContact O-N 3.14Å; K1456-K1460 VanDerWaalsContact O-CB 3.27Å; K1456-K1460 WeakPolarHBondContact O-CB 3.32Å; K1456-K1460 PolarHBondContact O-N 3Å
1457D76.7Confident75.7Confident80 Ų8094.1 Ų94.143%0.42851%0.505SS..Hα-helixtrans-73.4-31.2176.5-85.9-11.4000112.3E1453 K1460 I1461E1453-D1457 PolarHBondContact O-N 2.85Å; D1457-K1460 PolarHBondContact O-N 3.06Å; D1457-I1461 WeakPolarHBondContact O-CB 3.37Å; D1457-I1461 VanDerWaalsContact O-CG1 3.24Å; D1457-I1461 WeakPolarHBondContact O-CG1 3.3Å; D1457-I1461 PolarHBondContact O-N 3.16Å
1458S79.2Confident76.1Confident67 Ų6796.6 Ų96.647%0.46951%0.506SS..Hα-helixtrans-66.8-43.8170.9-1780000111.8L1454 E1455 K1460 I1461 S1462L1454-S1458 WeakPolarHBondContact O-CA 3.24Å; L1454-S1458 WeakPolarHBondContact O-CB 3.19Å; L1454-S1458 PolarHBondContact O-N 3.41Å; E1455-S1458 PolarHBondContact O-N 3.33Å; S1458-K1460 VanDerWaalsContact C-N 3.29Å; S1458-K1460 PolarHBondContact O-N 2.87Å; S1458-I1461 PolarHBondContact O-N 3.29Å; S1458-S1462 VanDerWaalsContact O-CB 3.31Å; S1458-S1462 WeakPolarHBondContact O-CB 3.26Å; S1458-S1462 PolarHBondContact O-N 2.96Å
1459A77.4Confident76Confident61 Ų6196.2 Ų96.250%0.50450%0.504SS..Hα-helixtrans-63-37172.600000111.4E1455 S1463E1455-A1459 WeakPolarHBondContact O-CB 3.31Å; E1455-A1459 PolarHBondContact O-N 3.04Å; A1459-S1463 WeakPolarHBondContact O-CB 3.41Å; A1459-S1463 PolarHBondContact O-N 2.99Å
1460K77.9Confident76Confident122 Ų122101 Ų10153%0.5351%0.509SS..Hα-helixtrans-67.8-45.3174.8-169.8177.2176.9-171.80111.8K1456 D1457 S1458 S1463 L1464K1456-K1460 VanDerWaalsContact O-CB 3.27Å; K1456-K1460 WeakPolarHBondContact O-CB 3.32Å; K1456-K1460 PolarHBondContact O-N 3Å; D1457-K1460 PolarHBondContact O-N 3.06Å; S1458-K1460 VanDerWaalsContact C-N 3.29Å; S1458-K1460 PolarHBondContact O-N 2.87Å; K1460-S1463 PolarHBondContact O-N 3.04Å; K1460-S1463 PolarHBondContact O-OG 3.22Å; K1460-L1464 HydrophobicContact CG-CD1 4.37Å; K1460-L1464 WeakPolarHBondContact O-CG 3.18Å; K1460-L1464 PolarHBondContact O-N 3.48Å
1461I77.6Confident75.8Confident99 Ų99100 Ų10051%0.50851%0.506SS..Hα-helixtrans-59.8-49.6172.8-71.4163.6000109.8D1457 S1458 S1463 L1464 E1465D1457-I1461 WeakPolarHBondContact O-CB 3.37Å; D1457-I1461 VanDerWaalsContact O-CG1 3.24Å; D1457-I1461 WeakPolarHBondContact O-CG1 3.3Å; D1457-I1461 PolarHBondContact O-N 3.16Å; S1458-I1461 PolarHBondContact O-N 3.29Å; I1461-S1463 VanDerWaalsContact C-N 3.27Å; I1461-S1463 PolarHBondContact O-N 2.92Å; I1461-L1464 CarbonylContact O-C 3.54Å; I1461-L1464 PolarHBondContact O-N 2.77Å; I1461-E1465 HydrophobicContact CG2-CG 4.3Å; I1461-E1465 WeakPolarHBondContact O-CG 3.19Å; I1461-E1465 PolarHBondContact O-N 3.49Å
1462S78.7Confident75.8Confident43 Ų4398.4 Ų98.430%0.30150%0.498SS..Hα-helixtrans-59.8-35.5176.2-171.90000112.5S1458 K1466S1458-S1462 VanDerWaalsContact O-CB 3.31Å; S1458-S1462 WeakPolarHBondContact O-CB 3.26Å; S1458-S1462 PolarHBondContact O-N 2.96Å; S1462-K1466 VanDerWaalsContact O-CB 3.3Å; S1462-K1466 WeakPolarHBondContact O-CB 3.16Å; S1462-K1466 WeakPolarHBondContact O-CD 3.22Å; S1462-K1466 WeakPolarHBondContact O-CG 3.17Å; S1462-K1466 PolarHBondContact O-N 3.11Å
1463S75.9Confident75.5Confident59 Ų5999.9 Ų99.941%0.41350%0.502SS..Hα-helixtrans-67.3-40.3173.279.70000112.2A1459 K1460 I1461 K1466 V1467A1459-S1463 WeakPolarHBondContact O-CB 3.41Å; A1459-S1463 PolarHBondContact O-N 2.99Å; K1460-S1463 PolarHBondContact O-N 3.04Å; K1460-S1463 PolarHBondContact O-OG 3.22Å; I1461-S1463 VanDerWaalsContact C-N 3.27Å; I1461-S1463 PolarHBondContact O-N 2.92Å; S1463-K1466 PolarHBondContact O-N 2.82Å; S1463-V1467 WeakPolarHBondContact O-CB 3.42Å; S1463-V1467 VanDerWaalsContact O-CG2 3.31Å; S1463-V1467 WeakPolarHBondContact O-CG2 3.4Å; S1463-V1467 PolarHBondContact O-N 3.11Å
1464L74.2Confident74.9Confident107 Ų10797.9 Ų97.956%0.5649%0.493SS*.Hα-helixtrans-72-35.2177.8-71.7167.9000111.8K1460 I1461 V1467 R1468K1460-L1464 HydrophobicContact CG-CD1 4.37Å; K1460-L1464 WeakPolarHBondContact O-CG 3.18Å; K1460-L1464 PolarHBondContact O-N 3.48Å; I1461-L1464 CarbonylContact O-C 3.54Å; I1461-L1464 PolarHBondContact O-N 2.77Å; L1464-V1467 PolarHBondContact O-N 3.48Å; L1464-R1468 VanDerWaalsContact O-CB 3.28Å; L1464-R1468 WeakPolarHBondContact O-CB 3.28Å; L1464-R1468 PolarHBondContact O-N 3.33Å
1465E74.9Confident74.5Confident95 Ų9595.9 Ų95.944%0.44448%0.482SS..Hα-helixtrans-69.5-39.2171.6-72.2-172.5137.200111.7I1461 R1468 N1469I1461-E1465 HydrophobicContact CG2-CG 4.3Å; I1461-E1465 WeakPolarHBondContact O-CG 3.19Å; I1461-E1465 PolarHBondContact O-N 3.49Å; E1465-R1468 PolarHBondContact O-N 3.09Å; E1465-N1469 WeakPolarHBondContact O-CB 3.32Å; E1465-N1469 PolarHBondContact O-N 2.63Å; E1465-N1469 PolarHBondContact O-OD1 2.97Å
1466K77.5Confident74.4Confident143 Ų14393.5 Ų93.562%0.62247%0.473SS*.Hα-helixtrans-63.1-43.3171.6-76.9167.8-177.1173.40111.6S1462 S1463 R1470S1462-K1466 VanDerWaalsContact O-CB 3.3Å; S1462-K1466 WeakPolarHBondContact O-CB 3.16Å; S1462-K1466 WeakPolarHBondContact O-CD 3.22Å; S1462-K1466 WeakPolarHBondContact O-CG 3.17Å; S1462-K1466 PolarHBondContact O-N 3.11Å; S1463-K1466 PolarHBondContact O-N 2.82Å; K1466-R1470 WeakPolarHBondContact O-CB 3.42Å; K1466-R1470 PolarHBondContact O-N 3.22Å
1467V71.1Confident74Confident80 Ų8090.1 Ų90.149%0.48547%0.467SS..Hα-helixtrans-65.4-45.6175168.50000111.1S1463 L1464 R1470 L1471S1463-V1467 WeakPolarHBondContact O-CB 3.42Å; S1463-V1467 VanDerWaalsContact O-CG2 3.31Å; S1463-V1467 WeakPolarHBondContact O-CG2 3.4Å; S1463-V1467 PolarHBondContact O-N 3.11Å; L1464-V1467 PolarHBondContact O-N 3.48Å; V1467-R1470 PolarHBondContact O-N 3.16Å; V1467-L1471 HydrophobicContact CG1-CD1 3.83Å; V1467-L1471 HydrophobicContact CG1-CG 4.39Å; V1467-L1471 WeakPolarHBondContact O-CB 3.34Å; V1467-L1471 VanDerWaalsContact O-CG 3.31Å; V1467-L1471 WeakPolarHBondContact O-CG 3.25Å; V1467-L1471 PolarHBondContact O-N 3.47Å
1468R77.1Confident73.4Confident126 Ų12689.1 Ų89.148%0.47547%0.465SS..Hα-helixtrans-60.1-49.1175.4-173.7-157.866.4-175.1-4.8111.2L1464 E1465 R1470 L1471 Q1472L1464-R1468 VanDerWaalsContact O-CB 3.28Å; L1464-R1468 WeakPolarHBondContact O-CB 3.28Å; L1464-R1468 PolarHBondContact O-N 3.33Å; E1465-R1468 PolarHBondContact O-N 3.09Å; R1468-R1470 VanDerWaalsContact C-N 3.3Å; R1468-R1470 PolarHBondContact O-N 2.87Å; R1468-L1471 PolarHBondContact O-N 3.04Å; R1468-Q1472 VanDerWaalsContact O-CB 3.23Å; R1468-Q1472 WeakPolarHBondContact O-CB 3.35Å; R1468-Q1472 PolarHBondContact O-N 2.91Å
1469N75.3Confident72.9Confident73 Ų7389.6 Ų89.639%0.3946%0.46SS..Hα-helixtrans-67-33.4-178.9-66-1.5000111.4E1465 L1473E1465-N1469 WeakPolarHBondContact O-CB 3.32Å; E1465-N1469 PolarHBondContact O-N 2.63Å; E1465-N1469 PolarHBondContact O-OD1 2.97Å; N1469-L1473 WeakPolarHBondContact O-CB 3.29Å; N1469-L1473 VanDerWaalsContact O-CG 3.25Å; N1469-L1473 WeakPolarHBondContact O-CG 3.48Å; N1469-L1473 PolarHBondContact O-N 2.58Å
1470R73.2Confident72.4Confident160 Ų16092.5 Ų92.560%0.60446%0.463SS*.Hα-helixtrans-64.4-51.2170.8177.6177.6170171.10.6111.3K1466 V1467 R1468 Q1472 L1473 E1474K1466-R1470 WeakPolarHBondContact O-CB 3.42Å; K1466-R1470 PolarHBondContact O-N 3.22Å; V1467-R1470 PolarHBondContact O-N 3.16Å; R1468-R1470 VanDerWaalsContact C-N 3.3Å; R1468-R1470 PolarHBondContact O-N 2.87Å; R1470-Q1472 VanDerWaalsContact C-N 3.27Å; R1470-Q1472 PolarHBondContact O-N 3.37Å; R1470-L1473 PolarHBondContact O-N 3.3Å; R1470-E1474 HydrophobicContact CG-CG 4.41Å; R1470-E1474 IonicContact CZ-OE1 3.43Å; R1470-E1474 IonicContact NE-OE1 2.6Å; R1470-E1474 PolarHBondContact NE-OE1 3.26Å; R1470-E1474 IonicContact NE-OE2 3.95Å; R1470-E1474 IonicContact NH2-OE1 2.64Å; R1470-E1474 PolarHBondContact NH2-OE1 2.91Å; R1470-E1474 WeakPolarHBondContact O-CB 3.46Å; R1470-E1474 WeakPolarHBondContact O-CG 3.44Å; R1470-E1474 PolarHBondContact O-N 3.06Å
1471L66.6Low71.8Confident102 Ų10290.4 Ų90.453%0.53446%0.455SS..Hα-helixtrans-61.9-35.5177.2-71.1170000112V1467 R1468 L1475V1467-L1471 HydrophobicContact CG1-CD1 3.83Å; V1467-L1471 HydrophobicContact CG1-CG 4.39Å; V1467-L1471 WeakPolarHBondContact O-CB 3.34Å; V1467-L1471 VanDerWaalsContact O-CG 3.31Å; V1467-L1471 WeakPolarHBondContact O-CG 3.25Å; V1467-L1471 PolarHBondContact O-N 3.47Å; R1468-L1471 PolarHBondContact O-N 3.04Å; L1471-L1475 WeakPolarHBondContact O-CB 3.38Å; L1471-L1475 PolarHBondContact O-N 3.37Å
1472Q73.7Confident70.9Confident60 Ų6087.4 Ų87.428%0.2844%0.44SS..Hα-helixtrans-64.7-46.4173.9-172.665.153.500110.9R1468 R1470 L1475 D1476R1468-Q1472 VanDerWaalsContact O-CB 3.23Å; R1468-Q1472 WeakPolarHBondContact O-CB 3.35Å; R1468-Q1472 PolarHBondContact O-N 2.91Å; R1470-Q1472 VanDerWaalsContact C-N 3.27Å; R1470-Q1472 PolarHBondContact O-N 3.37Å; Q1472-L1475 PolarHBondContact O-N 3.32Å; Q1472-D1476 WeakPolarHBondContact CG-OD2 3.21Å; Q1472-D1476 VanDerWaalsContact NE2-CG 3.32Å; Q1472-D1476 PolarHBondContact NE2-OD1 3.41Å; Q1472-D1476 PolarHBondContact NE2-OD2 3.2Å; Q1472-D1476 VanDerWaalsContact O-CB 3.32Å; Q1472-D1476 WeakPolarHBondContact O-CB 3.16Å; Q1472-D1476 VanDerWaalsContact O-CG 3.31Å; Q1472-D1476 PolarHBondContact O-N 3.33Å
1473L71.8Confident70.5Confident125 Ų12589.5 Ų89.565%0.65445%0.448SS*.Hα-helixtrans-65.7-40.1175.5-75166.2000112.5N1469 R1470 S1477N1469-L1473 WeakPolarHBondContact O-CB 3.29Å; N1469-L1473 VanDerWaalsContact O-CG 3.25Å; N1469-L1473 WeakPolarHBondContact O-CG 3.48Å; N1469-L1473 PolarHBondContact O-N 2.58Å; R1470-L1473 PolarHBondContact O-N 3.3Å; L1473-S1477 WeakPolarHBondContact O-CB 3.3Å; L1473-S1477 PolarHBondContact O-N 2.86Å
1474E64.9Low70.2Confident79 Ų7993 Ų9337%0.36946%0.456SS..Hα-helixtrans-65.5-40.1175.1-73.6171.1168.600111.2R1470 C1478R1470-E1474 HydrophobicContact CG-CG 4.41Å; R1470-E1474 IonicContact CZ-OE1 3.43Å; R1470-E1474 IonicContact NE-OE1 2.6Å; R1470-E1474 PolarHBondContact NE-OE1 3.26Å; R1470-E1474 IonicContact NE-OE2 3.95Å; R1470-E1474 IonicContact NH2-OE1 2.64Å; R1470-E1474 PolarHBondContact NH2-OE1 2.91Å; R1470-E1474 WeakPolarHBondContact O-CB 3.46Å; R1470-E1474 WeakPolarHBondContact O-CG 3.44Å; R1470-E1474 PolarHBondContact O-N 3.06Å; E1474-C1478 WeakPolarHBondContact O-CB 3.36Å; E1474-C1478 PolarHBondContact O-N 3.47Å; E1474-C1478 PolarHBondContact O-SG 3.12Å
1475L66.7Low69.7Low82 Ų8290.8 Ų90.843%0.42945%0.447SS..Hα-helixtrans-67.5-51.8175.4-179.465.2000112L1471 Q1472 S1477 C1478 H1479L1471-L1475 WeakPolarHBondContact O-CB 3.38Å; L1471-L1475 PolarHBondContact O-N 3.37Å; Q1472-L1475 PolarHBondContact O-N 3.32Å; L1475-S1477 VanDerWaalsContact C-N 3.33Å; L1475-S1477 PolarHBondContact O-N 3.17Å; L1475-C1478 WeakPolarHBondContact O-CB 3.25Å; L1475-C1478 PolarHBondContact O-N 3.43Å; L1475-H1479 WeakPolarHBondContact O-CB 3.48Å; L1475-H1479 PolarHBondContact O-N 3.44Å
1476D74.2Confident69.3Low63 Ų6387 Ų8734%0.33743%0.429SS..Hα-helixtrans-65.7-36.1-179.4-70.8-35.6000111Q1472 H1479 E1480Q1472-D1476 WeakPolarHBondContact CG-OD2 3.21Å; Q1472-D1476 VanDerWaalsContact NE2-CG 3.32Å; Q1472-D1476 PolarHBondContact NE2-OD1 3.41Å; Q1472-D1476 PolarHBondContact NE2-OD2 3.2Å; Q1472-D1476 VanDerWaalsContact O-CB 3.32Å; Q1472-D1476 WeakPolarHBondContact O-CB 3.16Å; Q1472-D1476 VanDerWaalsContact O-CG 3.31Å; Q1472-D1476 PolarHBondContact O-N 3.33Å; D1476-H1479 WeakPolarHBondContact O-CB 3.19Å; D1476-H1479 PolarHBondContact O-N 2.99Å; D1476-E1480 PolarHBondContact O-N 3Å
1477S70.3Confident68.9Low66 Ų6683.1 Ų83.146%0.46242%0.424SS..Hα-helixtrans-64.2-45.4171.6178.10000112L1473 L1475 H1479 E1480 E1481L1473-S1477 WeakPolarHBondContact O-CB 3.3Å; L1473-S1477 PolarHBondContact O-N 2.86Å; L1475-S1477 VanDerWaalsContact C-N 3.33Å; L1475-S1477 PolarHBondContact O-N 3.17Å; S1477-H1479 PolarHBondContact O-N 2.92Å; S1477-E1480 PolarHBondContact O-N 2.97Å; S1477-E1481 WeakPolarHBondContact O-CG 3.31Å; S1477-E1481 PolarHBondContact O-N 3.28Å
1478C62.5Low68.8Low59 Ų5983.1 Ų83.140%0.39942%0.421SS..Hα-helixtrans-60.9-35172.6-72.60000111.6E1474 L1475 L1482E1474-C1478 WeakPolarHBondContact O-CB 3.36Å; E1474-C1478 PolarHBondContact O-N 3.47Å; E1474-C1478 PolarHBondContact O-SG 3.12Å; L1475-C1478 WeakPolarHBondContact O-CB 3.25Å; L1475-C1478 PolarHBondContact O-N 3.43Å; C1478-L1482 WeakPolarHBondContact O-CB 3.32Å; C1478-L1482 PolarHBondContact O-N 2.99Å
1479H68.4Low68.1Low78 Ų7881 Ų8136%0.36142%0.419SS..Hα-helixtrans-70-45.2178.5-142.458.8000111.6E72 L1475 D1476 S1477 L1482 D1483E72-H1479 IonicContact OE2-CE1 3.67Å; E72-H1479 PolarHBondContact OE2-CE1 3.39Å; E72-H1479 IonicContact OE2-ND1 3.27Å; L1475-H1479 WeakPolarHBondContact O-CB 3.48Å; L1475-H1479 PolarHBondContact O-N 3.44Å; D1476-H1479 WeakPolarHBondContact O-CB 3.19Å; D1476-H1479 PolarHBondContact O-N 2.99Å; S1477-H1479 PolarHBondContact O-N 2.92Å; H1479-L1482 PolarHBondContact O-N 3.47Å; H1479-D1483 PolarHBondContact O-N 3.09Å
1480E68.1Low67.8Low121 Ų12180.2 Ų80.257%0.56542%0.419SS*.Hα-helixtrans-62.9-43.3174.7-81.5-154.5-176.900113.2D1476 S1477 L1482 K1484D1476-E1480 PolarHBondContact O-N 3Å; S1477-E1480 PolarHBondContact O-N 2.97Å; E1480-L1482 VanDerWaalsContact C-N 3.3Å; E1480-K1484 VanDerWaalsContact O-CB 3.32Å; E1480-K1484 WeakPolarHBondContact O-CB 3.47Å; E1480-K1484 VanDerWaalsContact O-CG 3.29Å; E1480-K1484 WeakPolarHBondContact O-CG 3.44Å; E1480-K1484 PolarHBondContact O-N 3.4Å; E1480-K1484 IonicContact OE2-NZ 2.75Å; E1480-K1484 PolarHBondContact OE2-NZ 3.31Å
1481E64.8Low67.8Low79 Ų7974.7 Ų74.737%0.36941%0.408SS..Hα-helixtrans-61.3-42.4174.6-76.1-174.7136.100111K720 S1477 K1484 V1485K720-E1481 WeakPolarHBondContact CE-OE2 3.45Å; K720-E1481 IonicContact NZ-OE1 3.53Å; K720-E1481 PolarHBondContact NZ-OE1 3.04Å; K720-E1481 IonicContact NZ-OE2 3.86Å; K720-E1481 PolarHBondContact NZ-OE2 3.13Å; S1477-E1481 WeakPolarHBondContact O-CG 3.31Å; S1477-E1481 PolarHBondContact O-N 3.28Å; E1481-K1484 PolarHBondContact O-N 2.85Å; E1481-V1485 WeakPolarHBondContact O-CB 3.38Å; E1481-V1485 WeakPolarHBondContact O-CG2 3.19Å; E1481-V1485 PolarHBondContact O-N 2.95Å
1482L58.3Low67.6Low35 Ų3572.1 Ų72.118%0.18339%0.394CS..Hα-helixtrans-65.7-45.1-180-175.754.6000111.5T88 F89 R719 C1478 H1479 E1480 V1485 N1486T88-L1482 WeakPolarHBondContact O-CD1 3.23Å; F89-L1482 HydrophobicContact CD1-CD2 3.85Å; F89-L1482 HydrophobicContact CD1-CG 4.27Å; R719-L1482 VanDerWaalsContact NH2-CD1 3.32Å; C1478-L1482 WeakPolarHBondContact O-CB 3.32Å; C1478-L1482 PolarHBondContact O-N 2.99Å; H1479-L1482 PolarHBondContact O-N 3.47Å; E1480-L1482 VanDerWaalsContact C-N 3.3Å; L1482-V1485 PolarHBondContact O-N 3.02Å; L1482-N1486 WeakPolarHBondContact O-CB 3.24Å; L1482-N1486 PolarHBondContact O-N 3.41Å; L1482-N1486 PolarHBondContact O-ND2 3.07Å; L1482-N1486 PolarHBondContact O-OD1 3.15Å
1483D70.4Confident67.3Low88 Ų8872.4 Ų72.447%0.47140%0.395SS..Hα-helixtrans-67.3-37.5176.5-122.73.7000111.5H1479 N1486 A1487H1479-D1483 PolarHBondContact O-N 3.09Å; D1483-N1486 PolarHBondContact O-N 2.88Å; D1483-A1487 WeakPolarHBondContact O-CB 3.3Å; D1483-A1487 PolarHBondContact O-N 3.49Å
1484K70.8Confident67.3Low132 Ų13274.3 Ų74.357%0.57439%0.394SS*.Hα-helixtrans-59.1-54.2171.4-80.4165.7180148.40111.3E1480 E1481 N1486 A1487 L1488E1480-K1484 VanDerWaalsContact O-CB 3.32Å; E1480-K1484 WeakPolarHBondContact O-CB 3.47Å; E1480-K1484 VanDerWaalsContact O-CG 3.29Å; E1480-K1484 WeakPolarHBondContact O-CG 3.44Å; E1480-K1484 PolarHBondContact O-N 3.4Å; E1480-K1484 IonicContact OE2-NZ 2.75Å; E1480-K1484 PolarHBondContact OE2-NZ 3.31Å; E1481-K1484 PolarHBondContact O-N 2.85Å; K1484-N1486 VanDerWaalsContact C-N 3.33Å; K1484-N1486 PolarHBondContact O-N 2.97Å; K1484-A1487 PolarHBondContact O-N 3.35Å; K1484-L1488 VanDerWaalsContact O-CB 3.3Å; K1484-L1488 WeakPolarHBondContact O-CB 3.24Å; K1484-L1488 PolarHBondContact O-N 2.85Å
1485V63.3Low67.7Low61 Ų6176.6 Ų76.637%0.3740%0.403SS..Hα-helixtrans-61.8-40.6179170.40000111.3E1481 L1482 L1488 N1489E1481-V1485 WeakPolarHBondContact O-CB 3.38Å; E1481-V1485 WeakPolarHBondContact O-CG2 3.19Å; E1481-V1485 PolarHBondContact O-N 2.95Å; L1482-V1485 PolarHBondContact O-N 3.02Å; V1485-L1488 PolarHBondContact O-N 3.06Å; V1485-N1489 VanDerWaalsContact O-CB 3.27Å; V1485-N1489 WeakPolarHBondContact O-CB 3.33Å; V1485-N1489 VanDerWaalsContact O-CG 3.29Å; V1485-N1489 PolarHBondContact O-N 2.98Å
1486N65.7Low67.7Low15 Ų1577.8 Ų77.88%0.0841%0.406CS..Hα-helixtrans-68.4-39.5179.2-70.3-16.4000112.2T88 F89 L1482 D1483 K1484 S1490T88-N1486 VanDerWaalsContact CG2-OD1 3.3Å; T88-N1486 WeakPolarHBondContact CG2-OD1 3.37Å; F89-N1486 WeakPolarHBondContact CE1-ND2 3.42Å; L1482-N1486 WeakPolarHBondContact O-CB 3.24Å; L1482-N1486 PolarHBondContact O-N 3.41Å; L1482-N1486 PolarHBondContact O-ND2 3.07Å; L1482-N1486 PolarHBondContact O-OD1 3.15Å; D1483-N1486 PolarHBondContact O-N 2.88Å; K1484-N1486 VanDerWaalsContact C-N 3.33Å; K1484-N1486 PolarHBondContact O-N 2.97Å; N1486-S1490 WeakPolarHBondContact O-CB 3.33Å; N1486-S1490 PolarHBondContact O-N 3.41Å; N1486-S1490 PolarHBondContact O-OG 2.74Å
1487A70.6Confident67.6Low62 Ų6281.6 Ų81.651%0.51242%0.416SS..Hα-helixtrans-67.1-41.9175.400000111.8D1483 K1484 S1490 A1491D1483-A1487 WeakPolarHBondContact O-CB 3.3Å; D1483-A1487 PolarHBondContact O-N 3.49Å; K1484-A1487 PolarHBondContact O-N 3.35Å; A1487-S1490 CarbonylContact O-C 3.53Å; A1487-S1490 PolarHBondContact O-N 3.33Å; A1487-A1491 PolarHBondContact O-N 3.28Å
1488L68.2Low67.8Low79 Ų7985.3 Ų85.341%0.41443%0.428SS..Hα-helixtrans-66.9-49.6178.6-151.1165.6000110.4K1484 V1485 S1490 A1491 L1492K1484-L1488 VanDerWaalsContact O-CB 3.3Å; K1484-L1488 WeakPolarHBondContact O-CB 3.24Å; K1484-L1488 PolarHBondContact O-N 2.85Å; V1485-L1488 PolarHBondContact O-N 3.06Å; L1488-S1490 VanDerWaalsContact C-N 3.29Å; L1488-S1490 PolarHBondContact O-N 2.87Å; L1488-A1491 CarbonylContact O-C 3.05Å; L1488-A1491 WeakPolarHBondContact O-CA 3.26Å; L1488-A1491 WeakPolarHBondContact O-CB 3.29Å; L1488-A1491 PolarHBondContact O-N 2.82Å; L1488-L1492 HydrophobicContact CD2-CD1 3.54Å; L1488-L1492 HydrophobicContact CD2-CG 3.88Å; L1488-L1492 WeakPolarHBondContact O-CG 3.46Å; L1488-L1492 PolarHBondContact O-N 2.97Å
1489N62.4Low68.3Low83 Ų8389.3 Ų89.344%0.44444%0.435SS..Hα-helixtrans-58.1-39.3171.7-75-5.4000112.3V1485 A1491 L1492 E1493V1485-N1489 VanDerWaalsContact O-CB 3.27Å; V1485-N1489 WeakPolarHBondContact O-CB 3.33Å; V1485-N1489 VanDerWaalsContact O-CG 3.29Å; V1485-N1489 PolarHBondContact O-N 2.98Å; N1489-A1491 PolarHBondContact O-N 3.46Å; N1489-L1492 PolarHBondContact O-N 3.3Å; N1489-E1493 PolarHBondContact O-N 2.85Å
1490S69.4Low68.5Low56 Ų5690.1 Ų90.139%0.39244%0.439SS..Hα-helixtrans-71.5-15.7176.1-62.70000113.6N1486 A1487 L1488 R1494N1486-S1490 WeakPolarHBondContact O-CB 3.33Å; N1486-S1490 PolarHBondContact O-N 3.41Å; N1486-S1490 PolarHBondContact O-OG 2.74Å; A1487-S1490 CarbonylContact O-C 3.53Å; A1487-S1490 PolarHBondContact O-N 3.33Å; L1488-S1490 VanDerWaalsContact C-N 3.29Å; L1488-S1490 PolarHBondContact O-N 2.87Å; S1490-R1494 VanDerWaalsContact O-CZ 3.3Å; S1490-R1494 PolarHBondContact O-NE 3.12Å; S1490-R1494 PolarHBondContact O-NH2 3.05Å
1491A71.9Confident69.1Low44 Ų4490.6 Ų90.636%0.36444%0.439SS..Hα-helixtrans-89.1-37.6170.200000111A1487 L1488 N1489 R1494 K1495A1487-A1491 PolarHBondContact O-N 3.28Å; L1488-A1491 CarbonylContact O-C 3.05Å; L1488-A1491 WeakPolarHBondContact O-CA 3.26Å; L1488-A1491 WeakPolarHBondContact O-CB 3.29Å; L1488-A1491 PolarHBondContact O-N 2.82Å; N1489-A1491 PolarHBondContact O-N 3.46Å; A1491-R1494 PolarHBondContact O-N 3.36Å; A1491-K1495 PolarHBondContact O-N 2.75Å
1492L62.2Low69.6Low48 Ų4888.9 Ų88.925%0.25144%0.439SS..Hα-helixtrans-65.1-49.1173.7-67.7175.3000111.9T767 L1488 N1489 R1494 K1495 Q1496T767-L1492 HydrophobicContact CG2-CD1 4.4Å; T767-L1492 HydrophobicContact CG2-CD2 3.84Å; L1488-L1492 HydrophobicContact CD2-CD1 3.54Å; L1488-L1492 HydrophobicContact CD2-CG 3.88Å; L1488-L1492 WeakPolarHBondContact O-CG 3.46Å; L1488-L1492 PolarHBondContact O-N 2.97Å; N1489-L1492 PolarHBondContact O-N 3.3Å; L1492-R1494 PolarHBondContact O-N 3.47Å; L1492-K1495 PolarHBondContact O-N 3.13Å; L1492-K1495 VanDerWaalsContact O-N 3.1Å; L1492-Q1496 WeakPolarHBondContact O-CB 3.13Å; L1492-Q1496 PolarHBondContact O-N 3.49Å
1493E67.3Low70.2Confident65 Ų6590.8 Ų90.830%0.30445%0.452SS..Hα-helixtrans-53.3-28.4172.9-88.7-164-146.300112.6K77 N1489 R1497K77-E1493 IonicContact NZ-OE1 2.73Å; K77-E1493 PolarHBondContact NZ-OE1 2.89Å; K77-E1493 IonicContact NZ-OE2 2.68Å; K77-E1493 PolarHBondContact NZ-OE2 3.18Å; N1489-E1493 PolarHBondContact O-N 2.85Å; E1493-R1497 WeakPolarHBondContact O-CB 3.36Å; E1493-R1497 WeakPolarHBondContact O-CD 3.35Å; E1493-R1497 VanDerWaalsContact O-CG 3.25Å; E1493-R1497 WeakPolarHBondContact O-CG 3.33Å; E1493-R1497 PolarHBondContact O-N 3.04Å; E1493-R1497 IonicContact OE2-CZ 3.84Å; E1493-R1497 IonicContact OE2-NH1 3.81Å; E1493-R1497 PolarHBondContact OE2-NH1 3.22Å; E1493-R1497 IonicContact OE2-NH2 3.7Å; E1493-R1497 PolarHBondContact OE2-NH2 3.49Å
1494R72.7Confident70.5Confident165 Ų16592.5 Ų92.562%0.62346%0.457SS*.Hα-helixtrans-85-43.6176.8-87.3179.9-75.5171.3-2.2112.9S1490 A1491 L1492 M1498S1490-R1494 VanDerWaalsContact O-CZ 3.3Å; S1490-R1494 PolarHBondContact O-NE 3.12Å; S1490-R1494 PolarHBondContact O-NH2 3.05Å; A1491-R1494 PolarHBondContact O-N 3.36Å; L1492-R1494 PolarHBondContact O-N 3.47Å; R1494-M1498 WeakPolarHBondContact O-CG 3.23Å; R1494-M1498 PolarHBondContact O-N 3.04Å; R1494-M1498 VanDerWaalsContact O-N 3.14Å
1495K74.5Confident70.9Confident127 Ų12790.1 Ų90.155%0.55245%0.448SS*.Hα-helixtrans-61.5-51.3173.7-82.4-171.2173.7-173.60110.8A1491 L1492 R1497 M1498 Y1499A1491-K1495 PolarHBondContact O-N 2.75Å; L1492-K1495 PolarHBondContact O-N 3.13Å; L1492-K1495 VanDerWaalsContact O-N 3.1Å; K1495-R1497 PolarHBondContact O-N 3.05Å; K1495-M1498 WeakPolarHBondContact O-CA 3.1Å; K1495-M1498 WeakPolarHBondContact O-CB 3.48Å; K1495-M1498 PolarHBondContact O-N 3.19Å; K1495-Y1499 HydrophobicContact CB-CD2 4.29Å; K1495-Y1499 HydrophobicContact CB-CE2 4.09Å; K1495-Y1499 WeakPolarHBondContact O-CD2 3.21Å; K1495-Y1499 PolarHBondContact O-N 2.92Å
1496Q65.6Low71.7Confident107 Ų10795.5 Ų95.550%0.546%0.462SS..Hα-helixtrans-51.7-54.9177.1-177.1-177.5-11.600110.4L1492 M1498 Y1499 E1500L1492-Q1496 WeakPolarHBondContact O-CB 3.13Å; L1492-Q1496 PolarHBondContact O-N 3.49Å; Q1496-M1498 PolarHBondContact O-N 3.1Å; Q1496-Y1499 CarbonylContact O-C 3.58Å; Q1496-Y1499 PolarHBondContact O-N 2.94Å; Q1496-E1500 HydrophobicContact CG-CG 4.08Å; Q1496-E1500 WeakPolarHBondContact CG-OE1 3.3Å; Q1496-E1500 PolarHBondContact NE2-OE1 2.95Å; Q1496-E1500 WeakPolarHBondContact O-CB 3.38Å; Q1496-E1500 VanDerWaalsContact O-CG 3.32Å; Q1496-E1500 WeakPolarHBondContact O-CG 3.31Å; Q1496-E1500 PolarHBondContact O-N 3.34Å
1497R71.2Confident72.3Confident144 Ų14499.8 Ų99.854%0.54348%0.48SS..Hα-helixtrans-61.5-26.5177.8-73.4179.2-168.1137.218.8114.9E1493 K1495 E1500 K1501E1493-R1497 WeakPolarHBondContact O-CB 3.36Å; E1493-R1497 WeakPolarHBondContact O-CD 3.35Å; E1493-R1497 VanDerWaalsContact O-CG 3.25Å; E1493-R1497 WeakPolarHBondContact O-CG 3.33Å; E1493-R1497 PolarHBondContact O-N 3.04Å; E1493-R1497 IonicContact OE2-CZ 3.84Å; E1493-R1497 IonicContact OE2-NH1 3.81Å; E1493-R1497 PolarHBondContact OE2-NH1 3.22Å; E1493-R1497 IonicContact OE2-NH2 3.7Å; E1493-R1497 PolarHBondContact OE2-NH2 3.49Å; K1495-R1497 PolarHBondContact O-N 3.05Å; R1497-E1500 WeakPolarHBondContact CA-OE2 3.46Å; R1497-K1501 WeakPolarHBondContact O-CB 3.45Å; R1497-K1501 PolarHBondContact O-N 2.84Å; R1497-K1501 VanDerWaalsContact O-N 3.13Å
1498M76.3Confident72.7Confident144 Ų144102 Ų10271%0.70948%0.479SS*.Hα-helixtrans-75.4-40.8172.9-74.5-178.86600111.9R1494 K1495 Q1496 A1502R1494-M1498 WeakPolarHBondContact O-CG 3.23Å; R1494-M1498 PolarHBondContact O-N 3.04Å; R1494-M1498 VanDerWaalsContact O-N 3.14Å; K1495-M1498 WeakPolarHBondContact O-CA 3.1Å; K1495-M1498 WeakPolarHBondContact O-CB 3.48Å; K1495-M1498 PolarHBondContact O-N 3.19Å; Q1496-M1498 PolarHBondContact O-N 3.1Å; M1498-A1502 WeakPolarHBondContact O-CB 3.49Å; M1498-A1502 PolarHBondContact O-N 3.02Å
1499Y72.7Confident73.5Confident142 Ų142102.2 Ų102.256%0.55748%0.477SS*.Hα-helixtrans-70-45.8174.7-68.3-61.2000111.7K1495 Q1496 K1501 A1502 T1503K1495-Y1499 HydrophobicContact CB-CD2 4.29Å; K1495-Y1499 HydrophobicContact CB-CE2 4.09Å; K1495-Y1499 WeakPolarHBondContact O-CD2 3.21Å; K1495-Y1499 PolarHBondContact O-N 2.92Å; Q1496-Y1499 CarbonylContact O-C 3.58Å; Q1496-Y1499 PolarHBondContact O-N 2.94Å; Y1499-K1501 PolarHBondContact O-N 3.46Å; Y1499-A1502 PolarHBondContact O-N 2.76Å; Y1499-A1502 VanDerWaalsContact O-N 3.16Å; Y1499-T1503 WeakPolarHBondContact O-CB 3.37Å; Y1499-T1503 PolarHBondContact O-N 3.35Å; Y1499-T1503 PolarHBondContact O-OG1 3.02Å
1500E72.5Confident74.3Confident95 Ų95101.7 Ų101.744%0.44448%0.479SS..Hα-helixtrans-51-53.2170.9-73.4170.5162.900110.5Q1496 R1497 A1502 T1503 E1504Q1496-E1500 HydrophobicContact CG-CG 4.08Å; Q1496-E1500 WeakPolarHBondContact CG-OE1 3.3Å; Q1496-E1500 PolarHBondContact NE2-OE1 2.95Å; Q1496-E1500 WeakPolarHBondContact O-CB 3.38Å; Q1496-E1500 VanDerWaalsContact O-CG 3.32Å; Q1496-E1500 WeakPolarHBondContact O-CG 3.31Å; Q1496-E1500 PolarHBondContact O-N 3.34Å; R1497-E1500 WeakPolarHBondContact CA-OE2 3.46Å; E1500-A1502 VanDerWaalsContact C-N 3.34Å; E1500-A1502 PolarHBondContact O-N 2.81Å; E1500-T1503 PolarHBondContact O-N 3.24Å; E1500-E1504 VanDerWaalsContact O-CB 3.28Å; E1500-E1504 WeakPolarHBondContact O-CB 3.18Å; E1500-E1504 PolarHBondContact O-N 3.02Å
1501K79.9Confident74.7Confident131 Ų131103.9 Ų103.957%0.5749%0.487SS*.Hα-helixtrans-62-38.9179-173.9173.1-174.4-67.50113R1497 Y1499 E1505R1497-K1501 WeakPolarHBondContact O-CB 3.45Å; R1497-K1501 PolarHBondContact O-N 2.84Å; R1497-K1501 VanDerWaalsContact O-N 3.13Å; Y1499-K1501 PolarHBondContact O-N 3.46Å; K1501-E1505 IonicContact NZ-OE1 3.86Å; K1501-E1505 PolarHBondContact NZ-OE1 3.18Å; K1501-E1505 WeakPolarHBondContact O-CB 3.24Å; K1501-E1505 WeakPolarHBondContact O-CG 3.45Å; K1501-E1505 PolarHBondContact O-N 3.28Å
1502A76.6Confident75.3Confident43 Ų43106.4 Ų106.436%0.35549%0.491SS..Hα-helixtrans-68.6-42176.700000112M1498 Y1499 E1500 E1505 W1506M1498-A1502 WeakPolarHBondContact O-CB 3.49Å; M1498-A1502 PolarHBondContact O-N 3.02Å; Y1499-A1502 PolarHBondContact O-N 2.76Å; Y1499-A1502 VanDerWaalsContact O-N 3.16Å; E1500-A1502 VanDerWaalsContact C-N 3.34Å; E1500-A1502 PolarHBondContact O-N 2.81Å; A1502-E1505 PolarHBondContact O-N 3.31Å; A1502-W1506 PolarHBondContact O-N 3.45Å
1503T70.2Confident76.3Confident76 Ų76109.4 Ų109.447%0.46651%0.506SS..Hα-helixtrans-68.2-38.9177.4-60.80000111.2Y1499 E1500 W1506 K1507Y1499-T1503 WeakPolarHBondContact O-CB 3.37Å; Y1499-T1503 PolarHBondContact O-N 3.35Å; Y1499-T1503 PolarHBondContact O-OG1 3.02Å; E1500-T1503 PolarHBondContact O-N 3.24Å; T1503-W1506 PolarHBondContact O-N 3.05Å; T1503-K1507 HydrophobicContact CG2-CG 4.42Å; T1503-K1507 WeakPolarHBondContact O-CB 3.33Å; T1503-K1507 WeakPolarHBondContact O-CG 3.25Å; T1503-K1507 PolarHBondContact O-N 2.79Å
1504E76.9Confident77.1Confident123 Ų123109.7 Ų109.758%0.57551%0.512SS*.Hα-helixtrans-63.1-45.4172.7-15980.1161.900110.5E1500 W1506 K1507 Q1508E1500-E1504 VanDerWaalsContact O-CB 3.28Å; E1500-E1504 WeakPolarHBondContact O-CB 3.18Å; E1500-E1504 PolarHBondContact O-N 3.02Å; E1504-W1506 PolarHBondContact O-N 3.5Å; E1504-K1507 PolarHBondContact O-N 3.32Å; E1504-Q1508 WeakPolarHBondContact O-CB 3.43Å; E1504-Q1508 PolarHBondContact O-N 3.41Å
1505E79.9Confident77.6Confident82 Ų82105.5 Ų105.538%0.38351%0.505SS..Hα-helixtrans-64.8-20.1174.2-81-179.9-148.100114.4K1501 A1502 K1509K1501-E1505 IonicContact NZ-OE1 3.86Å; K1501-E1505 PolarHBondContact NZ-OE1 3.18Å; K1501-E1505 WeakPolarHBondContact O-CB 3.24Å; K1501-E1505 WeakPolarHBondContact O-CG 3.45Å; K1501-E1505 PolarHBondContact O-N 3.28Å; A1502-E1505 PolarHBondContact O-N 3.31Å; E1505-K1509 VanDerWaalsContact O-CD 3.3Å; E1505-K1509 WeakPolarHBondContact O-CD 3.16Å; E1505-K1509 WeakPolarHBondContact O-CE 3.25Å; E1505-K1509 VanDerWaalsContact O-CG 3.24Å; E1505-K1509 WeakPolarHBondContact O-CG 3.38Å; E1505-K1509 PolarHBondContact O-NZ 2.87Å
1506W80Confident78.1Confident175 Ų175104.9 Ų104.966%0.66351%0.508SS*.Hα-helixtrans-91.4-43.3173-81.7115.3000111.9A1502 T1503 E1504 K1509 C1510A1502-W1506 PolarHBondContact O-N 3.45Å; T1503-W1506 PolarHBondContact O-N 3.05Å; E1504-W1506 PolarHBondContact O-N 3.5Å; W1506-K1509 HydrophobicContact CE3-CD 4.41Å; W1506-K1509 PolarHBondContact O-N 3.3Å; W1506-C1510 WeakPolarHBondContact O-CB 3.45Å; W1506-C1510 PolarHBondContact O-N 2.99Å; W1506-C1510 PolarHBondContact O-SG 3.2Å
1507K76.6Confident78.9Confident105 Ų105104.4 Ų104.446%0.45751%0.508SS..Hα-helixtrans-54.1-53.4171-81.4-171.9173.1-170.20110.2T1503 E1504 K1509 C1510 D1511T1503-K1507 HydrophobicContact CG2-CG 4.42Å; T1503-K1507 WeakPolarHBondContact O-CB 3.33Å; T1503-K1507 WeakPolarHBondContact O-CG 3.25Å; T1503-K1507 PolarHBondContact O-N 2.79Å; E1504-K1507 PolarHBondContact O-N 3.32Å; K1507-K1509 VanDerWaalsContact C-N 3.29Å; K1507-K1509 PolarHBondContact O-N 2.86Å; K1507-C1510 CarbonylContact O-C 3.59Å; K1507-C1510 WeakPolarHBondContact O-CA 3.2Å; K1507-C1510 WeakPolarHBondContact O-CB 3.25Å; K1507-C1510 PolarHBondContact O-N 3.22Å; K1507-D1511 WeakPolarHBondContact O-CB 3.47Å; K1507-D1511 VanDerWaalsContact O-CG 3.28Å; K1507-D1511 PolarHBondContact O-N 2.79Å
1508Q80.6Confident79.5Confident108 Ų108102.1 Ų102.151%0.50550%0.503SS..Hα-helixtrans-56.8-40.5180-174.7174.60.700112.5E1504 D1511 E1512E1504-Q1508 WeakPolarHBondContact O-CB 3.43Å; E1504-Q1508 PolarHBondContact O-N 3.41Å; Q1508-D1511 PolarHBondContact O-N 2.79Å; Q1508-E1512 WeakPolarHBondContact CG-OE1 3.44Å; Q1508-E1512 PolarHBondContact NE2-OE1 3.43Å; Q1508-E1512 VanDerWaalsContact NE2-OE1 3.13Å; Q1508-E1512 VanDerWaalsContact O-CB 3.3Å; Q1508-E1512 WeakPolarHBondContact O-CB 3.4Å; Q1508-E1512 WeakPolarHBondContact O-CG 3.25Å; Q1508-E1512 PolarHBondContact O-N 3.47Å
1509K84.4Confident79.9Confident84 Ų8497.9 Ų97.937%0.36549%0.486SS..Hα-helixtrans-68.1-39.5174.3-70.9175.1-165.8112.50112.6E1505 W1506 K1507 I1513E1505-K1509 VanDerWaalsContact O-CD 3.3Å; E1505-K1509 WeakPolarHBondContact O-CD 3.16Å; E1505-K1509 WeakPolarHBondContact O-CE 3.25Å; E1505-K1509 VanDerWaalsContact O-CG 3.24Å; E1505-K1509 WeakPolarHBondContact O-CG 3.38Å; E1505-K1509 PolarHBondContact O-NZ 2.87Å; W1506-K1509 HydrophobicContact CE3-CD 4.41Å; W1506-K1509 PolarHBondContact O-N 3.3Å; K1507-K1509 VanDerWaalsContact C-N 3.29Å; K1507-K1509 PolarHBondContact O-N 2.86Å; K1509-I1513 WeakPolarHBondContact O-CB 3.37Å; K1509-I1513 WeakPolarHBondContact O-CD1 3.39Å; K1509-I1513 WeakPolarHBondContact O-CG1 3.46Å; K1509-I1513 PolarHBondContact O-N 2.76Å
1510C78.2Confident80.5Confident72 Ų7294.4 Ų94.449%0.48648%0.482SS..Hα-helixtrans-66.3-39.4175.7-70.90000111.5W1506 K1507 T1514W1506-C1510 WeakPolarHBondContact O-CB 3.45Å; W1506-C1510 PolarHBondContact O-N 2.99Å; W1506-C1510 PolarHBondContact O-SG 3.2Å; K1507-C1510 CarbonylContact O-C 3.59Å; K1507-C1510 WeakPolarHBondContact O-CA 3.2Å; K1507-C1510 WeakPolarHBondContact O-CB 3.25Å; K1507-C1510 PolarHBondContact O-N 3.22Å; C1510-T1514 WeakPolarHBondContact O-CB 2.98Å; C1510-T1514 PolarHBondContact O-N 3.39Å; C1510-T1514 PolarHBondContact O-OG1 2.87Å
1511D79.6Confident81Confident102 Ų10293.7 Ų93.755%0.54548%0.479SS..Hα-helixtrans-67.2-47.5175.8-67-29.3000110.6K1507 Q1508 T1514 T1515K1507-D1511 WeakPolarHBondContact O-CB 3.47Å; K1507-D1511 VanDerWaalsContact O-CG 3.28Å; K1507-D1511 PolarHBondContact O-N 2.79Å; Q1508-D1511 PolarHBondContact O-N 2.79Å; D1511-T1514 PolarHBondContact O-N 2.76Å; D1511-T1515 WeakPolarHBondContact O-CG2 3.44Å; D1511-T1515 PolarHBondContact O-N 2.87Å; D1511-T1515 PolarHBondContact O-OG1 3.48Å
1512E83.6Confident81.2Confident96 Ų9694.1 Ų94.145%0.44948%0.477SS..Hα-helixtrans-54.1-55.9173.3-77.5167.2-172.700110.7Q1508 T1514 T1515 D1516Q1508-E1512 WeakPolarHBondContact CG-OE1 3.44Å; Q1508-E1512 PolarHBondContact NE2-OE1 3.43Å; Q1508-E1512 VanDerWaalsContact NE2-OE1 3.13Å; Q1508-E1512 VanDerWaalsContact O-CB 3.3Å; Q1508-E1512 WeakPolarHBondContact O-CB 3.4Å; Q1508-E1512 WeakPolarHBondContact O-CG 3.25Å; Q1508-E1512 PolarHBondContact O-N 3.47Å; E1512-T1514 VanDerWaalsContact C-N 3.28Å; E1512-T1514 PolarHBondContact O-N 2.97Å; E1512-T1515 PolarHBondContact O-N 2.83Å; E1512-T1515 VanDerWaalsContact O-N 3.12Å; E1512-T1515 PolarHBondContact O-OG1 2.77Å; E1512-D1516 PolarHBondContact O-N 3.19Å
1513I83.7Confident81.6Confident112 Ų11297.2 Ų97.257%0.57448%0.484SS*.Hα-helixtrans-59.1-36.9177.5-69.3166.5000112K1509 L1517K1509-I1513 WeakPolarHBondContact O-CB 3.37Å; K1509-I1513 WeakPolarHBondContact O-CD1 3.39Å; K1509-I1513 WeakPolarHBondContact O-CG1 3.46Å; K1509-I1513 PolarHBondContact O-N 2.76Å; I1513-L1517 VanDerWaalsContact O-CB 3.23Å; I1513-L1517 WeakPolarHBondContact O-CB 3.4Å; I1513-L1517 PolarHBondContact O-N 2.77Å
1514T82.6Confident82.3Confident71 Ų7198.9 Ų98.944%0.43649%0.49SS..Hα-helixtrans-71.1-39177.8-59.90000111.3C1510 D1511 E1512 L1517 E1518C1510-T1514 WeakPolarHBondContact O-CB 2.98Å; C1510-T1514 PolarHBondContact O-N 3.39Å; C1510-T1514 PolarHBondContact O-OG1 2.87Å; D1511-T1514 PolarHBondContact O-N 2.76Å; E1512-T1514 VanDerWaalsContact C-N 3.28Å; E1512-T1514 PolarHBondContact O-N 2.97Å; T1514-L1517 PolarHBondContact O-N 3.5Å; T1514-E1518 WeakPolarHBondContact O-CB 3.25Å; T1514-E1518 PolarHBondContact O-N 2.91Å
1515T84.2Confident82.7Confident76 Ų76100.5 Ų100.547%0.46649%0.491SS..Hα-helixtrans-69.2-35.7175.556.30000112.8D1511 E1512 T1519D1511-T1515 WeakPolarHBondContact O-CG2 3.44Å; D1511-T1515 PolarHBondContact O-N 2.87Å; D1511-T1515 PolarHBondContact O-OG1 3.48Å; E1512-T1515 PolarHBondContact O-N 2.83Å; E1512-T1515 VanDerWaalsContact O-N 3.12Å; E1512-T1515 PolarHBondContact O-OG1 2.77Å; T1515-T1519 VanDerWaalsContact O-CB 3.28Å; T1515-T1519 WeakPolarHBondContact O-CB 3.2Å; T1515-T1519 PolarHBondContact O-N 2.92Å; T1515-T1519 PolarHBondContact O-OG1 3.42Å
1516D85.3Confident83Confident114 Ų11499.2 Ų99.261%0.6149%0.494SS*.Hα-helixtrans-66.6-45.7172-79.8-11.9000111.1E1512 T1519 S1520E1512-D1516 PolarHBondContact O-N 3.19Å; D1516-T1519 PolarHBondContact O-N 2.69Å; D1516-S1520 WeakPolarHBondContact O-CB 3.42Å; D1516-S1520 PolarHBondContact O-N 2.87Å
1517L82.7Confident83.3Confident97 Ų9797 Ų9751%0.50849%0.489SS..Hα-helixtrans-62.1-44.1175.8178.161.3000111.8I1513 T1514 Q1521I1513-L1517 VanDerWaalsContact O-CB 3.23Å; I1513-L1517 WeakPolarHBondContact O-CB 3.4Å; I1513-L1517 PolarHBondContact O-N 2.77Å; T1514-L1517 PolarHBondContact O-N 3.5Å; L1517-Q1521 HydrophobicContact CD1-CG 4.39Å; L1517-Q1521 WeakPolarHBondContact O-CB 3.38Å; L1517-Q1521 VanDerWaalsContact O-CG 3.31Å; L1517-Q1521 WeakPolarHBondContact O-CG 3.39Å; L1517-Q1521 PolarHBondContact O-N 2.79Å
1518E83Confident83.7Confident96 Ų9694.4 Ų94.445%0.44949%0.485SS..Hα-helixtrans-61.7-43.3173.7-86.9-156.4-160.500111.7T1514 Q1521 R1522T1514-E1518 WeakPolarHBondContact O-CB 3.25Å; T1514-E1518 PolarHBondContact O-N 2.91Å; E1518-Q1521 PolarHBondContact O-N 3.45Å; E1518-R1522 WeakPolarHBondContact O-CB 3.27Å; E1518-R1522 VanDerWaalsContact O-CG 3.23Å; E1518-R1522 WeakPolarHBondContact O-CG 3.44Å; E1518-R1522 PolarHBondContact O-N 2.78Å; E1518-R1522 IonicContact OE2-CZ 3.68Å; E1518-R1522 IonicContact OE2-NE 3.24Å; E1518-R1522 IonicContact OE2-NH2 2.67Å; E1518-R1522 PolarHBondContact OE2-NH2 3.03Å
1519T84.9Confident84Confident56 Ų5692.9 Ų92.934%0.34448%0.483SS..Hα-helixtrans-65-47.3-179.2-59.60000110.5T1515 D1516 Q1521 R1522 E1523T1515-T1519 VanDerWaalsContact O-CB 3.28Å; T1515-T1519 WeakPolarHBondContact O-CB 3.2Å; T1515-T1519 PolarHBondContact O-N 2.92Å; T1515-T1519 PolarHBondContact O-OG1 3.42Å; D1516-T1519 PolarHBondContact O-N 2.69Å; T1519-Q1521 VanDerWaalsContact C-N 3.32Å; T1519-Q1521 PolarHBondContact O-N 3.5Å; T1519-R1522 WeakPolarHBondContact O-CB 3.48Å; T1519-R1522 PolarHBondContact O-N 2.79Å; T1519-R1522 VanDerWaalsContact O-N 3.11Å; T1519-E1523 WeakPolarHBondContact O-CG 3.46Å; T1519-E1523 PolarHBondContact O-N 2.98Å
1520S84.5Confident84.1Confident69 Ų6994.2 Ų94.248%0.48349%0.49SS..Hα-helixtrans-59.6-39.3173.3-173.90000112.6D1516 E1523 N1524D1516-S1520 WeakPolarHBondContact O-CB 3.42Å; D1516-S1520 PolarHBondContact O-N 2.87Å; S1520-E1523 PolarHBondContact O-N 2.95Å; S1520-N1524 VanDerWaalsContact O-CB 3.31Å; S1520-N1524 WeakPolarHBondContact O-CB 3.49Å; S1520-N1524 PolarHBondContact O-N 2.84Å
1521Q82.9Confident84.4Confident80 Ų8094.3 Ų94.337%0.37449%0.489SS..Hα-helixtrans-67.6-37.8173.6-77.9-170.141.300113.1L1517 E1518 T1519 R1525L1517-Q1521 HydrophobicContact CD1-CG 4.39Å; L1517-Q1521 WeakPolarHBondContact O-CB 3.38Å; L1517-Q1521 VanDerWaalsContact O-CG 3.31Å; L1517-Q1521 WeakPolarHBondContact O-CG 3.39Å; L1517-Q1521 PolarHBondContact O-N 2.79Å; E1518-Q1521 PolarHBondContact O-N 3.45Å; T1519-Q1521 VanDerWaalsContact C-N 3.32Å; T1519-Q1521 PolarHBondContact O-N 3.5Å; Q1521-R1525 WeakPolarHBondContact O-CB 3.36Å; Q1521-R1525 WeakPolarHBondContact O-CG 3.38Å; Q1521-R1525 PolarHBondContact O-N 3.47Å
1522R84Confident84.6Confident140 Ų14096.2 Ų96.253%0.52849%0.493SS..Hα-helixtrans-64.6-43.6175.2-70.9171.3-150155.80.5110.6E1518 T1519 R1525 A1526E1518-R1522 WeakPolarHBondContact O-CB 3.27Å; E1518-R1522 VanDerWaalsContact O-CG 3.23Å; E1518-R1522 WeakPolarHBondContact O-CG 3.44Å; E1518-R1522 PolarHBondContact O-N 2.78Å; E1518-R1522 IonicContact OE2-CZ 3.68Å; E1518-R1522 IonicContact OE2-NE 3.24Å; E1518-R1522 IonicContact OE2-NH2 2.67Å; E1518-R1522 PolarHBondContact OE2-NH2 3.03Å; T1519-R1522 WeakPolarHBondContact O-CB 3.48Å; T1519-R1522 PolarHBondContact O-N 2.79Å; T1519-R1522 VanDerWaalsContact O-N 3.11Å; R1522-R1525 PolarHBondContact O-N 2.78Å; R1522-A1526 WeakPolarHBondContact O-CB 3.28Å; R1522-A1526 PolarHBondContact O-N 3.34Å
1523E85.9Confident84.8Confident108 Ų10898.2 Ų98.251%0.50550%0.5SS..Hα-helixtrans-62.3-48.5175.4-71.5177.9166.500111.6T1519 S1520 R1525 A1526 F1527T1519-E1523 WeakPolarHBondContact O-CG 3.46Å; T1519-E1523 PolarHBondContact O-N 2.98Å; S1520-E1523 PolarHBondContact O-N 2.95Å; E1523-R1525 PolarHBondContact O-N 3.43Å; E1523-A1526 WeakPolarHBondContact O-CA 3.38Å; E1523-A1526 WeakPolarHBondContact O-CB 3.45Å; E1523-A1526 PolarHBondContact O-N 2.83Å; E1523-F1527 HydrophobicContact CB-CE2 4.07Å; E1523-F1527 WeakPolarHBondContact O-CD2 3.23Å; E1523-F1527 WeakPolarHBondContact O-CG 3.46Å; E1523-F1527 PolarHBondContact O-N 2.79Å
1524N85.4Confident84.9Confident110 Ų11097.9 Ų97.959%0.58850%0.498SS*.Hα-helixtrans-60.5-42.3176.7-168.9-10.8000111.9S1520 A1526 F1527 S1528S1520-N1524 VanDerWaalsContact O-CB 3.31Å; S1520-N1524 WeakPolarHBondContact O-CB 3.49Å; S1520-N1524 PolarHBondContact O-N 2.84Å; N1524-A1526 VanDerWaalsContact C-N 3.33Å; N1524-A1526 PolarHBondContact O-N 2.92Å; N1524-F1527 PolarHBondContact O-N 3.43Å; N1524-S1528 VanDerWaalsContact O-CB 3.25Å; N1524-S1528 WeakPolarHBondContact O-CB 3.46Å; N1524-S1528 PolarHBondContact O-N 2.91Å
1525R85.4Confident85.1Confident158 Ų158102.3 Ų102.360%0.59651%0.507SS*.Hα-helixtrans-64.2-35.4172.6-69.8172.8-154.6-171.39.7112.4Q1521 R1522 E1523 T1529Q1521-R1525 WeakPolarHBondContact O-CB 3.36Å; Q1521-R1525 WeakPolarHBondContact O-CG 3.38Å; Q1521-R1525 PolarHBondContact O-N 3.47Å; R1522-R1525 PolarHBondContact O-N 2.78Å; E1523-R1525 PolarHBondContact O-N 3.43Å; R1525-T1529 WeakPolarHBondContact O-CB 3.44Å; R1525-T1529 PolarHBondContact O-N 2.77Å; R1525-T1529 PolarHBondContact O-OG1 3.39Å
1526A85Confident85.2Confident55 Ų55100.7 Ų100.746%0.45550%0.501SS..Hα-helixtrans-66.6-50.4175.400000111.4R1522 E1523 N1524 S1528 T1529 E1530R1522-A1526 WeakPolarHBondContact O-CB 3.28Å; R1522-A1526 PolarHBondContact O-N 3.34Å; E1523-A1526 WeakPolarHBondContact O-CA 3.38Å; E1523-A1526 WeakPolarHBondContact O-CB 3.45Å; E1523-A1526 PolarHBondContact O-N 2.83Å; N1524-A1526 VanDerWaalsContact C-N 3.33Å; N1524-A1526 PolarHBondContact O-N 2.92Å; A1526-S1528 VanDerWaalsContact C-N 3.34Å; A1526-S1528 PolarHBondContact O-N 3.35Å; A1526-T1529 WeakPolarHBondContact O-CB 3.38Å; A1526-T1529 PolarHBondContact O-N 2.78Å; A1526-T1529 VanDerWaalsContact O-N 3.15Å; A1526-E1530 WeakPolarHBondContact O-CB 3.38Å; A1526-E1530 PolarHBondContact O-N 3.37Å
1527F87.5Confident85.4Confident127 Ų127101.3 Ų101.356%0.55750%0.502SS*.Hα-helixtrans-60.7-40.7175.1-62.3-48.4000112.1E1523 N1524 T1529 E1530 V1531E1523-F1527 HydrophobicContact CB-CE2 4.07Å; E1523-F1527 WeakPolarHBondContact O-CD2 3.23Å; E1523-F1527 WeakPolarHBondContact O-CG 3.46Å; E1523-F1527 PolarHBondContact O-N 2.79Å; N1524-F1527 PolarHBondContact O-N 3.43Å; F1527-T1529 PolarHBondContact O-N 3.25Å; F1527-E1530 PolarHBondContact O-N 2.74Å; F1527-V1531 WeakPolarHBondContact O-CG2 3.44Å; F1527-V1531 PolarHBondContact O-N 3.3Å
1528S85.2Confident85.5Confident52 Ų52101.1 Ų101.136%0.36451%0.505SS..Hα-helixtrans-61-44.3173.7-174.80000111.6N1524 A1526 E1530 V1531 F1532N1524-S1528 VanDerWaalsContact O-CB 3.25Å; N1524-S1528 WeakPolarHBondContact O-CB 3.46Å; N1524-S1528 PolarHBondContact O-N 2.91Å; A1526-S1528 VanDerWaalsContact C-N 3.34Å; A1526-S1528 PolarHBondContact O-N 3.35Å; S1528-E1530 VanDerWaalsContact C-N 3.31Å; S1528-E1530 PolarHBondContact O-N 3.29Å; S1528-V1531 PolarHBondContact O-N 3.24Å; S1528-F1532 VanDerWaalsContact O-CD2 3.28Å; S1528-F1532 WeakPolarHBondContact O-CD2 3.23Å; S1528-F1532 PolarHBondContact O-N 2.81Å
1529T85.2Confident85.6Confident76 Ų76102.6 Ų102.647%0.46651%0.512SS..Hα-helixtrans-63.7-36.4175.5-56.50000112R1525 A1526 F1527 F1532 K1533R1525-T1529 WeakPolarHBondContact O-CB 3.44Å; R1525-T1529 PolarHBondContact O-N 2.77Å; R1525-T1529 PolarHBondContact O-OG1 3.39Å; A1526-T1529 WeakPolarHBondContact O-CB 3.38Å; A1526-T1529 PolarHBondContact O-N 2.78Å; A1526-T1529 VanDerWaalsContact O-N 3.15Å; F1527-T1529 PolarHBondContact O-N 3.25Å; T1529-F1532 PolarHBondContact O-N 3.18Å; T1529-K1533 WeakPolarHBondContact O-CG 3.19Å; T1529-K1533 PolarHBondContact O-N 2.66Å
1530E86.4Confident85.6Confident111 Ų111105.1 Ų105.152%0.51952%0.52SS..Hα-helixtrans-69.4-42175.9-170.5161.9-136.500111.7A1526 F1527 S1528 F1532 K1533 L1534A1526-E1530 WeakPolarHBondContact O-CB 3.38Å; A1526-E1530 PolarHBondContact O-N 3.37Å; F1527-E1530 PolarHBondContact O-N 2.74Å; S1528-E1530 VanDerWaalsContact C-N 3.31Å; S1528-E1530 PolarHBondContact O-N 3.29Å; E1530-F1532 PolarHBondContact O-N 3.44Å; E1530-K1533 PolarHBondContact O-N 3.28Å; E1530-L1534 HydrophobicContact CG-CD1 4.4Å; E1530-L1534 WeakPolarHBondContact O-CB 3.35Å; E1530-L1534 WeakPolarHBondContact O-CG 3.46Å; E1530-L1534 PolarHBondContact O-N 2.91Å
1531V84.9Confident85.6Confident74 Ų74104.5 Ų104.545%0.44852%0.519SS..Hα-helixtrans-61.6-41.2171169.90000111.5F1527 S1528 L1534 R1535F1527-V1531 WeakPolarHBondContact O-CG2 3.44Å; F1527-V1531 PolarHBondContact O-N 3.3Å; S1528-V1531 PolarHBondContact O-N 3.24Å; V1531-L1534 PolarHBondContact O-N 2.65Å; V1531-R1535 WeakPolarHBondContact O-CB 3.19Å; V1531-R1535 WeakPolarHBondContact O-CG 3.48Å; V1531-R1535 PolarHBondContact O-N 3.3Å
1532F85Confident85.8Confident143 Ų143104 Ų10463%0.62752%0.521SS*.Hα-helixtrans-64.6-40.9174.1-88.7-68.7000112.4S1528 T1529 E1530 R1535 A1536S1528-F1532 VanDerWaalsContact O-CD2 3.28Å; S1528-F1532 WeakPolarHBondContact O-CD2 3.23Å; S1528-F1532 PolarHBondContact O-N 2.81Å; T1529-F1532 PolarHBondContact O-N 3.18Å; E1530-F1532 PolarHBondContact O-N 3.44Å; F1532-R1535 PolarHBondContact O-N 2.98Å; F1532-A1536 WeakPolarHBondContact O-CB 3.34Å; F1532-A1536 PolarHBondContact O-N 3.01Å
1533K87.7Confident85.9Confident138 Ų138102.1 Ų102.160%0.652%0.521SS*.Hα-helixtrans-61.3-45.8172.6-77.6175.3178.6177.40111.9T1529 E1530 A1536 M1537T1529-K1533 WeakPolarHBondContact O-CG 3.19Å; T1529-K1533 PolarHBondContact O-N 2.66Å; E1530-K1533 PolarHBondContact O-N 3.28Å; K1533-A1536 PolarHBondContact O-N 3.19Å; K1533-M1537 WeakPolarHBondContact O-CB 3.43Å; K1533-M1537 VanDerWaalsContact O-CG 3.3Å; K1533-M1537 WeakPolarHBondContact O-CG 3.17Å; K1533-M1537 PolarHBondContact O-N 3.24Å
1534L85.1Confident85.8Confident104 Ų104103.4 Ų103.455%0.54553%0.526SS..Hα-helixtrans-64.1-41.1178.6-72169.7000111.6E1530 V1531 M1537 V1538E1530-L1534 HydrophobicContact CG-CD1 4.4Å; E1530-L1534 WeakPolarHBondContact O-CB 3.35Å; E1530-L1534 WeakPolarHBondContact O-CG 3.46Å; E1530-L1534 PolarHBondContact O-N 2.91Å; V1531-L1534 PolarHBondContact O-N 2.65Å; L1534-M1537 PolarHBondContact O-N 2.76Å; L1534-V1538 WeakPolarHBondContact O-CG2 3.4Å; L1534-V1538 PolarHBondContact O-N 2.69Å
1535R86.7Confident85.6Confident164 Ų164103 Ų10362%0.61952%0.52SS*.Hα-helixtrans-60.6-49.8172.3-75.9179.8179.5-138.11.6111.9V1531 F1532 M1537 V1538 E1539V1531-R1535 WeakPolarHBondContact O-CB 3.19Å; V1531-R1535 WeakPolarHBondContact O-CG 3.48Å; V1531-R1535 PolarHBondContact O-N 3.3Å; F1532-R1535 PolarHBondContact O-N 2.98Å; R1535-M1537 VanDerWaalsContact C-N 3.26Å; R1535-M1537 PolarHBondContact O-N 2.73Å; R1535-V1538 CarbonylContact O-C 3.58Å; R1535-V1538 WeakPolarHBondContact O-CA 3.47Å; R1535-V1538 PolarHBondContact O-N 2.94Å; R1535-E1539 PolarHBondContact O-N 3.12Å
1536A86.4Confident85.4Confident42 Ų4299.8 Ų99.835%0.34751%0.512SS..Hα-helixtrans-62.7-31.6177.600000112.8F1532 K1533 Q1540F1532-A1536 WeakPolarHBondContact O-CB 3.34Å; F1532-A1536 PolarHBondContact O-N 3.01Å; K1533-A1536 PolarHBondContact O-N 3.19Å; A1536-Q1540 VanDerWaalsContact O-CB 3.3Å; A1536-Q1540 WeakPolarHBondContact O-CB 3.48Å; A1536-Q1540 VanDerWaalsContact O-CG 3.29Å; A1536-Q1540 WeakPolarHBondContact O-CG 3.2Å; A1536-Q1540 PolarHBondContact O-N 3.13Å
1537M88.5Confident85.3Confident127 Ų12799.4 Ų99.463%0.62651%0.509SS*.Hα-helixtrans-71.7-33.5172.3-74.7178.266.400112.7K1533 L1534 R1535 A1541K1533-M1537 WeakPolarHBondContact O-CB 3.43Å; K1533-M1537 VanDerWaalsContact O-CG 3.3Å; K1533-M1537 WeakPolarHBondContact O-CG 3.17Å; K1533-M1537 PolarHBondContact O-N 3.24Å; L1534-M1537 PolarHBondContact O-N 2.76Å; R1535-M1537 VanDerWaalsContact C-N 3.26Å; R1535-M1537 PolarHBondContact O-N 2.73Å; M1537-A1541 WeakPolarHBondContact O-CB 3.35Å; M1537-A1541 PolarHBondContact O-N 3.16Å
1538V86.4Confident85Confident94 Ų9495.6 Ų95.657%0.5750%0.5SS*.Hα-helixtrans-71.7-44.9173.1169.20000110.8L1534 R1535 A1541 V1542L1534-V1538 WeakPolarHBondContact O-CG2 3.4Å; L1534-V1538 PolarHBondContact O-N 2.69Å; R1535-V1538 CarbonylContact O-C 3.58Å; R1535-V1538 WeakPolarHBondContact O-CA 3.47Å; R1535-V1538 PolarHBondContact O-N 2.94Å; V1538-A1541 WeakPolarHBondContact O-CA 3.28Å; V1538-A1541 WeakPolarHBondContact O-CB 3.48Å; V1538-A1541 PolarHBondContact O-N 2.97Å; V1538-V1542 WeakPolarHBondContact O-CG2 3.43Å; V1538-V1542 PolarHBondContact O-N 2.77Å
1539E84.5Confident85Confident127 Ų127100.9 Ų100.959%0.59351%0.512SS*.Hα-helixtrans-59.2-47.7173.2-72.8172.3153.100110.6R1535 A1541 V1542 D1543R1535-E1539 PolarHBondContact O-N 3.12Å; E1539-A1541 PolarHBondContact O-N 2.64Å; E1539-V1542 CarbonylContact O-C 3.57Å; E1539-V1542 PolarHBondContact O-N 3.14Å; E1539-V1542 VanDerWaalsContact O-N 3.12Å; E1539-D1543 WeakPolarHBondContact O-CB 3.29Å; E1539-D1543 PolarHBondContact O-N 3.36Å
1540Q85.4Confident84.9Confident109 Ų109104 Ų10451%0.50952%0.516SS..Hα-helixtrans-63.3-21.6173.1-77.6-172.714.500114.5A1536 K1544A1536-Q1540 VanDerWaalsContact O-CB 3.3Å; A1536-Q1540 WeakPolarHBondContact O-CB 3.48Å; A1536-Q1540 VanDerWaalsContact O-CG 3.29Å; A1536-Q1540 WeakPolarHBondContact O-CG 3.2Å; A1536-Q1540 PolarHBondContact O-N 3.13Å; Q1540-K1544 WeakPolarHBondContact O-CB 3.24Å; Q1540-K1544 WeakPolarHBondContact O-CD 3.31Å; Q1540-K1544 WeakPolarHBondContact O-CG 3.34Å; Q1540-K1544 PolarHBondContact O-N 3.27Å
1541A84.7Confident84.8Confident56 Ų56104.7 Ų104.746%0.46352%0.519SS..Hα-helixtrans-79.7-40.8172.900000110.9M1537 V1538 E1539 K1544 E1545M1537-A1541 WeakPolarHBondContact O-CB 3.35Å; M1537-A1541 PolarHBondContact O-N 3.16Å; V1538-A1541 WeakPolarHBondContact O-CA 3.28Å; V1538-A1541 WeakPolarHBondContact O-CB 3.48Å; V1538-A1541 PolarHBondContact O-N 2.97Å; E1539-A1541 PolarHBondContact O-N 2.64Å; A1541-K1544 PolarHBondContact O-N 3.36Å; A1541-E1545 PolarHBondContact O-N 3.01Å
1542V87Confident84.6Confident70 Ų70104.9 Ų104.942%0.42452%0.523SS..Hα-helixtrans-65.7-44173.8173.80000111.1V1538 E1539 K1544 E1545 E1546V1538-V1542 WeakPolarHBondContact O-CG2 3.43Å; V1538-V1542 PolarHBondContact O-N 2.77Å; E1539-V1542 CarbonylContact O-C 3.57Å; E1539-V1542 PolarHBondContact O-N 3.14Å; E1539-V1542 VanDerWaalsContact O-N 3.12Å; V1542-K1544 VanDerWaalsContact C-N 3.28Å; V1542-K1544 PolarHBondContact O-N 3.37Å; V1542-E1545 CarbonylContact O-C 3.42Å; V1542-E1545 PolarHBondContact O-N 3.22Å; V1542-E1545 VanDerWaalsContact O-N 3.12Å; V1542-E1546 PolarHBondContact O-N 3.04Å
1543D85Confident84.6Confident99 Ų99104.1 Ų104.153%0.52952%0.519SS..Hα-helixtrans-59-38.5174.1-80.5-29.6000112E1539 A1547E1539-D1543 WeakPolarHBondContact O-CB 3.29Å; E1539-D1543 PolarHBondContact O-N 3.36Å; D1543-A1547 WeakPolarHBondContact O-CB 3.28Å; D1543-A1547 PolarHBondContact O-N 2.79Å
1544K85Confident84.4Confident136 Ų136101.1 Ų101.159%0.59151%0.512SS*.Hα-helixtrans-71.4-37.4174.9-76.1167.9-168.1155.80112.1Q1540 A1541 V1542 A1547 A1548Q1540-K1544 WeakPolarHBondContact O-CB 3.24Å; Q1540-K1544 WeakPolarHBondContact O-CD 3.31Å; Q1540-K1544 WeakPolarHBondContact O-CG 3.34Å; Q1540-K1544 PolarHBondContact O-N 3.27Å; A1541-K1544 PolarHBondContact O-N 3.36Å; V1542-K1544 VanDerWaalsContact C-N 3.28Å; V1542-K1544 PolarHBondContact O-N 3.37Å; K1544-A1547 PolarHBondContact O-N 3.34Å; K1544-A1548 VanDerWaalsContact O-CB 3.31Å; K1544-A1548 WeakPolarHBondContact O-CB 3.4Å; K1544-A1548 PolarHBondContact O-N 3.14Å
1545E80.5Confident84.3Confident100 Ų100100.3 Ų100.347%0.46751%0.508SS..Hα-helixtrans-66.1-43.1174-160.6-167.5154.200111A1541 V1542 A1548 R1549A1541-E1545 PolarHBondContact O-N 3.01Å; V1542-E1545 CarbonylContact O-C 3.42Å; V1542-E1545 PolarHBondContact O-N 3.22Å; V1542-E1545 VanDerWaalsContact O-N 3.12Å; E1545-A1548 PolarHBondContact O-N 2.59Å; E1545-R1549 WeakPolarHBondContact O-CB 3.2Å; E1545-R1549 WeakPolarHBondContact O-CD 3.38Å; E1545-R1549 WeakPolarHBondContact O-CG 3.47Å; E1545-R1549 PolarHBondContact O-N 3.05Å; E1545-R1549 IonicContact OE1-CZ 2.86Å; E1545-R1549 IonicContact OE1-NE 2.85Å; E1545-R1549 PolarHBondContact OE1-NE 2.91Å; E1545-R1549 IonicContact OE1-NH2 3.12Å; E1545-R1549 PolarHBondContact OE1-NH2 3.05Å
1546E81.8Confident84.2Confident91 Ų9195.9 Ų95.943%0.42550%0.499SS..Hα-helixtrans-65.1-42.8173.3-78.9-151.9-166.900112.3V1542 A1548 R1549 R1550V1542-E1546 PolarHBondContact O-N 3.04Å; E1546-A1548 PolarHBondContact O-N 3.03Å; E1546-R1549 PolarHBondContact O-N 2.94Å; E1546-R1550 WeakPolarHBondContact O-CB 3.47Å; E1546-R1550 WeakPolarHBondContact O-CG 3.25Å; E1546-R1550 PolarHBondContact O-N 3.18Å; E1546-R1550 IonicContact OE2-CZ 2.78Å; E1546-R1550 IonicContact OE2-NE 3.07Å; E1546-R1550 IonicContact OE2-NH2 2.59Å; E1546-R1550 PolarHBondContact OE2-NH2 2.75Å
1547A81.8Confident84Confident48 Ų4896.8 Ų96.840%0.39750%0.498SS..Hα-helixtrans-59.3-47.3174.900000111D1543 K1544 R1549 R1550 E1551D1543-A1547 WeakPolarHBondContact O-CB 3.28Å; D1543-A1547 PolarHBondContact O-N 2.79Å; K1544-A1547 PolarHBondContact O-N 3.34Å; A1547-R1549 PolarHBondContact O-N 3.44Å; A1547-R1550 PolarHBondContact O-N 2.63Å; A1547-E1551 WeakPolarHBondContact O-CB 3.4Å; A1547-E1551 PolarHBondContact O-N 2.98Å
1548A82.2Confident83.7Confident46 Ų4695.5 Ų95.538%0.3849%0.491SS..Hα-helixtrans-63.8-37.7175.100000112.6K1544 E1545 E1546 C1552K1544-A1548 VanDerWaalsContact O-CB 3.31Å; K1544-A1548 WeakPolarHBondContact O-CB 3.4Å; K1544-A1548 PolarHBondContact O-N 3.14Å; E1545-A1548 PolarHBondContact O-N 2.59Å; E1546-A1548 PolarHBondContact O-N 3.03Å; A1548-C1552 VanDerWaalsContact O-CB 3.26Å; A1548-C1552 WeakPolarHBondContact O-CB 3.41Å; A1548-C1552 PolarHBondContact O-N 2.87Å; A1548-C1552 PolarHBondContact O-SG 3.23Å
1549R85Confident83.3Confident163 Ų16396.2 Ų96.262%0.61549%0.491SS*.Hα-helixtrans-65.3-39.2173.6-74.9164.4174.1-132.66.7111.9E1545 E1546 A1547 K1553E1545-R1549 WeakPolarHBondContact O-CB 3.2Å; E1545-R1549 WeakPolarHBondContact O-CD 3.38Å; E1545-R1549 WeakPolarHBondContact O-CG 3.47Å; E1545-R1549 PolarHBondContact O-N 3.05Å; E1545-R1549 IonicContact OE1-CZ 2.86Å; E1545-R1549 IonicContact OE1-NE 2.85Å; E1545-R1549 PolarHBondContact OE1-NE 2.91Å; E1545-R1549 IonicContact OE1-NH2 3.12Å; E1545-R1549 PolarHBondContact OE1-NH2 3.05Å; E1546-R1549 PolarHBondContact O-N 2.94Å; A1547-R1549 PolarHBondContact O-N 3.44Å; R1549-K1553 WeakPolarHBondContact O-CB 3.29Å; R1549-K1553 PolarHBondContact O-N 2.73Å
1550R82.8Confident83.1Confident142 Ų14295.8 Ų95.854%0.53649%0.489SS..Hα-helixtrans-68.3-44.7175.1-68.5170.6-151163.56.3111E1546 A1547 K1553 V1554E1546-R1550 WeakPolarHBondContact O-CB 3.47Å; E1546-R1550 WeakPolarHBondContact O-CG 3.25Å; E1546-R1550 PolarHBondContact O-N 3.18Å; E1546-R1550 IonicContact OE2-CZ 2.78Å; E1546-R1550 IonicContact OE2-NE 3.07Å; E1546-R1550 IonicContact OE2-NH2 2.59Å; E1546-R1550 PolarHBondContact OE2-NH2 2.75Å; A1547-R1550 PolarHBondContact O-N 2.63Å; R1550-K1553 WeakPolarHBondContact O-CB 3.38Å; R1550-K1553 PolarHBondContact O-N 2.67Å; R1550-K1553 VanDerWaalsContact O-N 3.15Å; R1550-V1554 WeakPolarHBondContact O-CG2 3.25Å; R1550-V1554 PolarHBondContact O-N 2.93Å
1551E83.6Confident82.8Confident126 Ų12695.6 Ų95.659%0.58949%0.491SS*.Hα-helixtrans-61.5-48.7175.8-174.8176.6-166.200111.2A1547 K1553 V1554 L1555A1547-E1551 WeakPolarHBondContact O-CB 3.4Å; A1547-E1551 PolarHBondContact O-N 2.98Å; E1551-K1553 VanDerWaalsContact C-N 3.26Å; E1551-K1553 PolarHBondContact O-N 3.06Å; E1551-V1554 PolarHBondContact O-N 3.25Å; E1551-L1555 HydrophobicContact CG-CD1 4.09Å; E1551-L1555 WeakPolarHBondContact O-CB 3.33Å; E1551-L1555 WeakPolarHBondContact O-CG 3.48Å; E1551-L1555 PolarHBondContact O-N 2.76Å
1552C81.7Confident82.2Confident77 Ų7797 Ų9752%0.5249%0.491SS..Hα-helixtrans-59.1-34.5172.3-75.20000112.8A1548 T1556A1548-C1552 VanDerWaalsContact O-CB 3.26Å; A1548-C1552 WeakPolarHBondContact O-CB 3.41Å; A1548-C1552 PolarHBondContact O-N 2.87Å; A1548-C1552 PolarHBondContact O-SG 3.23Å; C1552-T1556 VanDerWaalsContact O-CB 3.31Å; C1552-T1556 WeakPolarHBondContact O-CB 3.46Å; C1552-T1556 PolarHBondContact O-N 3.04Å; C1552-T1556 PolarHBondContact O-OG1 2.81Å
1553K85.1Confident81.7Confident127 Ų12798.2 Ų98.255%0.55250%0.498SS*.Hα-helixtrans-69.3-48.7173.9-169.2-175.1179.3-76.40111.3R1549 R1550 E1551 L1555 T1556 D1557R1549-K1553 WeakPolarHBondContact O-CB 3.29Å; R1549-K1553 PolarHBondContact O-N 2.73Å; R1550-K1553 WeakPolarHBondContact O-CB 3.38Å; R1550-K1553 PolarHBondContact O-N 2.67Å; R1550-K1553 VanDerWaalsContact O-N 3.15Å; E1551-K1553 VanDerWaalsContact C-N 3.26Å; E1551-K1553 PolarHBondContact O-N 3.06Å; K1553-L1555 VanDerWaalsContact C-N 3.34Å; K1553-L1555 PolarHBondContact O-N 3.28Å; K1553-T1556 CarbonylContact O-C 3.56Å; K1553-T1556 WeakPolarHBondContact O-CA 3.5Å; K1553-T1556 WeakPolarHBondContact O-CB 3.38Å; K1553-T1556 PolarHBondContact O-N 3.38Å; K1553-D1557 IonicContact NZ-OD1 2.84Å; K1553-D1557 IonicContact NZ-OD2 2.66Å; K1553-D1557 PolarHBondContact NZ-OD2 3.27Å; K1553-D1557 VanDerWaalsContact O-CG 3.28Å; K1553-D1557 PolarHBondContact O-N 3.42Å
1554V83.8Confident80.9Confident76 Ų7696.2 Ų96.246%0.46150%0.496SS..Hα-helixtrans-57.7-47.4177.1170.70000110.3R1550 E1551 T1556 D1557 E1558R1550-V1554 WeakPolarHBondContact O-CG2 3.25Å; R1550-V1554 PolarHBondContact O-N 2.93Å; E1551-V1554 PolarHBondContact O-N 3.25Å; V1554-T1556 PolarHBondContact O-N 2.85Å; V1554-D1557 PolarHBondContact O-N 3.25Å; V1554-D1557 VanDerWaalsContact O-N 3.16Å; V1554-E1558 HydrophobicContact CG1-CG 4.24Å; V1554-E1558 WeakPolarHBondContact O-CB 3.21Å; V1554-E1558 WeakPolarHBondContact O-CG 3.13Å; V1554-E1558 PolarHBondContact O-N 3.48Å
1555L82.3Confident79.9Confident86 Ų8696.2 Ų96.245%0.4550%0.498SS..Hα-helixtrans-62.1-29.3174.3-68.7169.3000113.1E1551 K1553 L1559E1551-L1555 HydrophobicContact CG-CD1 4.09Å; E1551-L1555 WeakPolarHBondContact O-CB 3.33Å; E1551-L1555 WeakPolarHBondContact O-CG 3.48Å; E1551-L1555 PolarHBondContact O-N 2.76Å; K1553-L1555 VanDerWaalsContact C-N 3.34Å; K1553-L1555 PolarHBondContact O-N 3.28Å; L1555-L1559 WeakPolarHBondContact O-CB 3.25Å; L1555-L1559 WeakPolarHBondContact O-CD1 3.21Å; L1555-L1559 WeakPolarHBondContact O-CG 3.48Å; L1555-L1559 PolarHBondContact O-N 3.23Å
1556T85.4Confident79Confident72 Ų7298.2 Ų98.244%0.44251%0.511SS..Hα-helixtrans-77.1-35.5175.1-60.70000112.3C1552 K1553 V1554 Q1560C1552-T1556 VanDerWaalsContact O-CB 3.31Å; C1552-T1556 WeakPolarHBondContact O-CB 3.46Å; C1552-T1556 PolarHBondContact O-N 3.04Å; C1552-T1556 PolarHBondContact O-OG1 2.81Å; K1553-T1556 CarbonylContact O-C 3.56Å; K1553-T1556 WeakPolarHBondContact O-CA 3.5Å; K1553-T1556 WeakPolarHBondContact O-CB 3.38Å; K1553-T1556 PolarHBondContact O-N 3.38Å; V1554-T1556 PolarHBondContact O-N 2.85Å; T1556-Q1560 WeakPolarHBondContact O-CG 3.27Å; T1556-Q1560 PolarHBondContact O-N 2.89Å; T1556-Q1560 PolarHBondContact O-NE2 3.41Å
1557D82.4Confident78.1Confident61 Ų6197 Ų9733%0.32652%0.523SS..Hα-helixtrans-73.9-43.8176.4-63.6-19.5000109.6K1553 V1554 L1559 Q1560 D1561K1553-D1557 IonicContact NZ-OD1 2.84Å; K1553-D1557 IonicContact NZ-OD2 2.66Å; K1553-D1557 PolarHBondContact NZ-OD2 3.27Å; K1553-D1557 VanDerWaalsContact O-CG 3.28Å; K1553-D1557 PolarHBondContact O-N 3.42Å; V1554-D1557 PolarHBondContact O-N 3.25Å; V1554-D1557 VanDerWaalsContact O-N 3.16Å; D1557-L1559 PolarHBondContact O-N 3.35Å; D1557-Q1560 CarbonylContact O-C 3.53Å; D1557-Q1560 WeakPolarHBondContact O-CA 3.36Å; D1557-Q1560 WeakPolarHBondContact O-CB 3.49Å; D1557-Q1560 PolarHBondContact O-N 3.34Å; D1557-Q1560 VanDerWaalsContact O-N 3.07Å; D1557-D1561 PolarHBondContact O-N 3.03Å
1558E80.7Confident76.8Confident99 Ų9998.6 Ų98.646%0.46353%0.528SS..Hα-helixtrans-58.5-43.1169.4-75.5178.5-178.400112.1V1554 Q1560 D1561 L1562V1554-E1558 HydrophobicContact CG1-CG 4.24Å; V1554-E1558 WeakPolarHBondContact O-CB 3.21Å; V1554-E1558 WeakPolarHBondContact O-CG 3.13Å; V1554-E1558 PolarHBondContact O-N 3.48Å; E1558-Q1560 VanDerWaalsContact C-N 3.29Å; E1558-Q1560 PolarHBondContact O-N 2.67Å; E1558-D1561 PolarHBondContact O-N 3.29Å; E1558-L1562 VanDerWaalsContact O-CB 3.27Å; E1558-L1562 WeakPolarHBondContact O-CB 3.42Å; E1558-L1562 VanDerWaalsContact O-CG 3.28Å; E1558-L1562 WeakPolarHBondContact O-CG 3.19Å; E1558-L1562 PolarHBondContact O-N 2.87Å
1559L77.7Confident75Confident110 Ų110100.1 Ų100.158%0.57655%0.547SS*.Hα-helixtrans-65.8-31.7174.3-81.2170000112.2L1555 D1557 T1563L1555-L1559 WeakPolarHBondContact O-CB 3.25Å; L1555-L1559 WeakPolarHBondContact O-CD1 3.21Å; L1555-L1559 WeakPolarHBondContact O-CG 3.48Å; L1555-L1559 PolarHBondContact O-N 3.23Å; D1557-L1559 PolarHBondContact O-N 3.35Å; L1559-T1563 WeakPolarHBondContact O-CB 3.4Å; L1559-T1563 PolarHBondContact O-N 3.02Å; L1559-T1563 PolarHBondContact O-OG1 3.27Å
1560Q82Confident73.4Confident118 Ų11895.1 Ų95.155%0.55155%0.547SS*.Hα-helixtrans-69.9-44.8172.8-81.8173.376.600111.6T1556 D1557 E1558 T1563 A1564T1556-Q1560 WeakPolarHBondContact O-CG 3.27Å; T1556-Q1560 PolarHBondContact O-N 2.89Å; T1556-Q1560 PolarHBondContact O-NE2 3.41Å; D1557-Q1560 CarbonylContact O-C 3.53Å; D1557-Q1560 WeakPolarHBondContact O-CA 3.36Å; D1557-Q1560 WeakPolarHBondContact O-CB 3.49Å; D1557-Q1560 PolarHBondContact O-N 3.34Å; D1557-Q1560 VanDerWaalsContact O-N 3.07Å; E1558-Q1560 VanDerWaalsContact C-N 3.29Å; E1558-Q1560 PolarHBondContact O-N 2.67Å; Q1560-T1563 CarbonylContact O-C 3.53Å; Q1560-T1563 PolarHBondContact O-N 2.96Å; Q1560-A1564 WeakPolarHBondContact O-CB 3.41Å; Q1560-A1564 PolarHBondContact O-N 3.25Å
1561D77.5Confident71.6Confident105 Ų10596.5 Ų96.556%0.56156%0.559SS**Hα-helixtrans-66.2-42.9177.1-81.6-19.9000111.9D1557 E1558 T1563 A1564 Q1565D1557-D1561 PolarHBondContact O-N 3.03Å; E1558-D1561 PolarHBondContact O-N 3.29Å; D1561-T1563 VanDerWaalsContact C-N 3.32Å; D1561-T1563 PolarHBondContact O-N 3.15Å; D1561-A1564 WeakPolarHBondContact O-CB 3.33Å; D1561-A1564 PolarHBondContact O-N 2.99Å; D1561-Q1565 WeakPolarHBondContact O-CB 3.36Å; D1561-Q1565 VanDerWaalsContact O-CG 3.25Å; D1561-Q1565 WeakPolarHBondContact O-CG 3.32Å; D1561-Q1565 PolarHBondContact O-N 3.43Å
1562L73Confident70.1Confident86 Ų8695.6 Ų95.645%0.4556%0.562SS.*Hα-helixtrans-62.5-38172.1-73.9170.5000111.7E1558 Q1565 L1566E1558-L1562 VanDerWaalsContact O-CB 3.27Å; E1558-L1562 WeakPolarHBondContact O-CB 3.42Å; E1558-L1562 VanDerWaalsContact O-CG 3.28Å; E1558-L1562 WeakPolarHBondContact O-CG 3.19Å; E1558-L1562 PolarHBondContact O-N 2.87Å; L1562-Q1565 PolarHBondContact O-N 3.3Å; L1562-L1566 VanDerWaalsContact O-CB 3.29Å; L1562-L1566 WeakPolarHBondContact O-CB 3.28Å; L1562-L1566 WeakPolarHBondContact O-CD1 3.12Å; L1562-L1566 WeakPolarHBondContact O-CG 3.19Å; L1562-L1566 PolarHBondContact O-N 3.34Å
1563T76.7Confident68.7Low95 Ų95100.7 Ų100.758%0.58358%0.576SS**Hα-helixtrans-67.8-36.9174-61.90000111.5L1559 Q1560 D1561 G1567L1559-T1563 WeakPolarHBondContact O-CB 3.4Å; L1559-T1563 PolarHBondContact O-N 3.02Å; L1559-T1563 PolarHBondContact O-OG1 3.27Å; Q1560-T1563 CarbonylContact O-C 3.53Å; Q1560-T1563 PolarHBondContact O-N 2.96Å; D1561-T1563 VanDerWaalsContact C-N 3.32Å; D1561-T1563 PolarHBondContact O-N 3.15Å; T1563-G1567 PolarHBondContact O-N 3.43Å
1564A68.3Low67.3Low57 Ų57102.2 Ų102.247%0.47158%0.583SS.*Hα-helixtrans-67.1-43.4175.200000111.4Q1560 D1561 G1567 V1568Q1560-A1564 WeakPolarHBondContact O-CB 3.41Å; Q1560-A1564 PolarHBondContact O-N 3.25Å; D1561-A1564 WeakPolarHBondContact O-CB 3.33Å; D1561-A1564 PolarHBondContact O-N 2.99Å; A1564-G1567 PolarHBondContact O-N 2.99Å; A1564-V1568 WeakPolarHBondContact O-CG2 3.19Å
1565Q62.9Low66Low136 Ų136101.2 Ų101.264%0.63657%0.573SS**Hα-helixtrans-61.9-47.3174.2-70.5171.919.800111.7D1561 L1562 G1567 V1568D1561-Q1565 WeakPolarHBondContact O-CB 3.36Å; D1561-Q1565 VanDerWaalsContact O-CG 3.25Å; D1561-Q1565 WeakPolarHBondContact O-CG 3.32Å; D1561-Q1565 PolarHBondContact O-N 3.43Å; L1562-Q1565 PolarHBondContact O-N 3.3Å; Q1565-G1567 VanDerWaalsContact C-N 3.27Å; Q1565-G1567 PolarHBondContact O-N 3.01Å; Q1565-V1568 PolarHBondContact O-N 3.01Å
1566L62.7Low64.9Low141 Ų141102.8 Ų102.874%0.73858%0.581SS**Hα-helixtrans-65-29.3175.3-72.8167.3000112.7L1562 V1568 G1569L1562-L1566 VanDerWaalsContact O-CB 3.29Å; L1562-L1566 WeakPolarHBondContact O-CB 3.28Å; L1562-L1566 WeakPolarHBondContact O-CD1 3.12Å; L1562-L1566 WeakPolarHBondContact O-CG 3.19Å; L1562-L1566 PolarHBondContact O-N 3.34Å; L1566-V1568 PolarHBondContact O-N 2.96Å; L1566-G1569 PolarHBondContact O-N 3.12Å
1567G62.9Low63.8Low67 Ų67105.4 Ų105.469%0.69159%0.588SS**THydrogen-bonded Turntrans-65.9-12.2177.700000115.2T1563 A1564 Q1565T1563-G1567 PolarHBondContact O-N 3.43Å; A1564-G1567 PolarHBondContact O-N 2.99Å; Q1565-G1567 VanDerWaalsContact C-N 3.27Å; Q1565-G1567 PolarHBondContact O-N 3.01Å
1568V55Low62.9Low81 Ų81107.6 Ų107.649%0.49160%0.595SS.*THydrogen-bonded Turntrans-94.712.2-180-156.50000112.9A1564 Q1565 L1566 G1570A1564-V1568 WeakPolarHBondContact O-CG2 3.19Å; Q1565-V1568 PolarHBondContact O-N 3.01Å; L1566-V1568 PolarHBondContact O-N 2.96Å; V1568-G1570 VanDerWaalsContact C-N 3.27Å; V1568-G1570 PolarHBondContact O-N 3.35Å
1569G42.7Very low62.3Low77 Ų77107.1 Ų107.179%0.79460%0.595SS**  trans-69.569.2178.200000114.7L1566L1566-G1569 PolarHBondContact O-N 3.12Å
1570G52Low62Low58 Ų58107.6 Ų107.660%0.59859%0.593SS**  trans-120.7-6.4-161.500000119.3V1568V1568-G1570 VanDerWaalsContact C-N 3.27Å; V1568-G1570 PolarHBondContact O-N 3.35Å
1571Q45.8Very low61.6Low171 Ų171110.3 Ų110.380%0.79960%0.598SS**  trans56.6105.3174.1-60.2-172.79.700117.9E1575Q1571-E1575 VanDerWaalsContact C-OE2 3.31Å; Q1571-E1575 WeakPolarHBondContact CA-OE2 3.25Å; Q1571-E1575 PolarHBondContact N-OE2 3.29Å
1572T52.1Low61.4Low107 Ų107109.5 Ų109.566%0.65659%0.593SS**  trans-162.1158141.13.30000112.7F1574 E1575T1572-F1574 PolarHBondContact O-N 3.22Å; T1572-E1575 PolarHBondContact N-OE2 3.3Å; T1572-E1575 VanDerWaalsContact O-CB 3.24Å; T1572-E1575 WeakPolarHBondContact O-CB 3.49Å; T1572-E1575 WeakPolarHBondContact O-CG 3.2Å; T1572-E1575 PolarHBondContact O-N 3.11Å
1573F51.9Low61.5Low184 Ų184110.6 Ų110.681%0.80760%0.599SS**THydrogen-bonded Turntrans-50.3-28.3-178.1177.2-104.1000115.4E1575 I1576F1573-E1575 PolarHBondContact O-N 2.89Å; F1573-I1576 PolarHBondContact O-N 3.32Å
1574F55.9Low61.5Low159 Ų159110 Ų11070%0.69759%0.589SS**Hα-helixtrans-59.1-26.5174.5-153.5-104.7000112.9T1572 I1576 Q1577 K1578T1572-F1574 PolarHBondContact O-N 3.22Å; F1574-I1576 VanDerWaalsContact C-N 3.29Å; F1574-I1576 PolarHBondContact O-N 3.09Å; F1574-Q1577 PolarHBondContact O-N 3.35Å; F1574-K1578 PolarHBondContact O-N 3.09Å
1575E56.7Low62Low55 Ų55111.3 Ų111.326%0.25759%0.588SS.*Hα-helixtrans-68.7-20.6178.3-63.1176.8132.600113.3Q1571 T1572 F1573 Q1577 K1578 N1579Q1571-E1575 VanDerWaalsContact C-OE2 3.31Å; Q1571-E1575 WeakPolarHBondContact CA-OE2 3.25Å; Q1571-E1575 PolarHBondContact N-OE2 3.29Å; T1572-E1575 PolarHBondContact N-OE2 3.3Å; T1572-E1575 VanDerWaalsContact O-CB 3.24Å; T1572-E1575 WeakPolarHBondContact O-CB 3.49Å; T1572-E1575 WeakPolarHBondContact O-CG 3.2Å; T1572-E1575 PolarHBondContact O-N 3.11Å; F1573-E1575 PolarHBondContact O-N 2.89Å; E1575-Q1577 VanDerWaalsContact C-N 3.33Å; E1575-Q1577 PolarHBondContact O-N 2.94Å; E1575-K1578 PolarHBondContact O-N 2.79Å; E1575-N1579 VanDerWaalsContact O-CB 3.24Å; E1575-N1579 WeakPolarHBondContact O-CB 3.4Å; E1575-N1579 VanDerWaalsContact O-CG 3.27Å; E1575-N1579 PolarHBondContact O-N 2.9Å; E1575-N1579 PolarHBondContact O-OD1 3.15Å
1576I57.9Low62.7Low119 Ų119109.8 Ų109.861%0.6158%0.581SS**Hα-helixtrans-68.4-35.8172.8-65.1178.6000110.5F1573 F1574 K1580F1573-I1576 PolarHBondContact O-N 3.32Å; F1574-I1576 VanDerWaalsContact C-N 3.29Å; F1574-I1576 PolarHBondContact O-N 3.09Å; I1576-K1580 WeakPolarHBondContact O-CB 3.34Å; I1576-K1580 PolarHBondContact O-N 2.79Å
1577Q62Low63.6Low127 Ų127108.6 Ų108.659%0.59357%0.57SS**Hα-helixtrans-72.6-33.1170.6-80.5-169-1900112.5F1574 E1575 R1581F1574-Q1577 PolarHBondContact O-N 3.35Å; E1575-Q1577 VanDerWaalsContact C-N 3.33Å; E1575-Q1577 PolarHBondContact O-N 2.94Å; Q1577-R1581 WeakPolarHBondContact O-CB 3.45Å; Q1577-R1581 WeakPolarHBondContact O-CG 3.45Å; Q1577-R1581 PolarHBondContact O-N 3.02Å
1578K65.3Low64.4Low107 Ų107111 Ų11147%0.46556%0.563SS.*Hα-helixtrans-69.7-45.4176.3-165.6-172.4174.2-165.40112F1574 E1575 R1581 L1582F1574-K1578 PolarHBondContact O-N 3.09Å; E1575-K1578 PolarHBondContact O-N 2.79Å; K1578-R1581 CarbonylContact O-C 3.57Å; K1578-R1581 WeakPolarHBondContact O-CB 3.48Å; K1578-R1581 PolarHBondContact O-N 2.9Å; K1578-L1582 HydrophobicContact CG-CD1 4.37Å; K1578-L1582 WeakPolarHBondContact O-CG 3.21Å; K1578-L1582 PolarHBondContact O-N 3.3Å
1579N67Low65.7Low89 Ų89113 Ų11348%0.47657%0.567SS.*Hα-helixtrans-73-34178-67.89.7000111.2E1575 R1581 L1582 L1583E1575-N1579 VanDerWaalsContact O-CB 3.24Å; E1575-N1579 WeakPolarHBondContact O-CB 3.4Å; E1575-N1579 VanDerWaalsContact O-CG 3.27Å; E1575-N1579 PolarHBondContact O-N 2.9Å; E1575-N1579 PolarHBondContact O-OD1 3.15Å; N1579-R1581 VanDerWaalsContact C-N 3.35Å; N1579-L1582 PolarHBondContact O-N 2.94Å; N1579-L1583 WeakPolarHBondContact O-CB 3.04Å; N1579-L1583 WeakPolarHBondContact O-CG 3.46Å; N1579-L1583 PolarHBondContact O-N 3.45Å
1580K72.2Confident67.5Low120 Ų120114.9 Ų114.952%0.52256%0.559SS.*Hα-helixtrans-59.8-46.6166.9-174.8-173.2162.4-166.30110.4I1576 L1582 L1583 E1584I1576-K1580 WeakPolarHBondContact O-CB 3.34Å; I1576-K1580 PolarHBondContact O-N 2.79Å; K1580-L1582 PolarHBondContact O-N 2.96Å; K1580-L1583 CarbonylContact O-C 3.4Å; K1580-L1583 PolarHBondContact O-N 3.27Å; K1580-E1584 WeakPolarHBondContact CE-OE1 3.34Å; K1580-E1584 VanDerWaalsContact CE-OE2 3.28Å; K1580-E1584 WeakPolarHBondContact CE-OE2 3.27Å; K1580-E1584 HydrophobicContact CG-CG 4.44Å; K1580-E1584 IonicContact NZ-OE1 2.65Å; K1580-E1584 PolarHBondContact NZ-OE1 2.9Å; K1580-E1584 IonicContact NZ-OE2 2.8Å; K1580-E1584 WeakPolarHBondContact O-CB 3.29Å; K1580-E1584 WeakPolarHBondContact O-CG 3.32Å; K1580-E1584 PolarHBondContact O-N 3.36Å
1581R73.3Confident69.1Low175 Ų175116 Ų11666%0.6655%0.548SS*.Hα-helixtrans-64.8-34.5175.9-80.2177.5175.8176.7-0.7113.8Q1577 K1578 N1579 E1584 L1585Q1577-R1581 WeakPolarHBondContact O-CB 3.45Å; Q1577-R1581 WeakPolarHBondContact O-CG 3.45Å; Q1577-R1581 PolarHBondContact O-N 3.02Å; K1578-R1581 CarbonylContact O-C 3.57Å; K1578-R1581 WeakPolarHBondContact O-CB 3.48Å; K1578-R1581 PolarHBondContact O-N 2.9Å; N1579-R1581 VanDerWaalsContact C-N 3.35Å; R1581-E1584 PolarHBondContact O-N 3.08Å; R1581-L1585 WeakPolarHBondContact O-CB 3.19Å; R1581-L1585 PolarHBondContact O-N 3.03Å
1582L72.9Confident71Confident89 Ų89111.3 Ų111.347%0.46653%0.531SS..Hα-helixtrans-69.6-39.8174.1-78.8162.9000111.4K1578 N1579 K1580 L1585 E1586K1578-L1582 HydrophobicContact CG-CD1 4.37Å; K1578-L1582 WeakPolarHBondContact O-CG 3.21Å; K1578-L1582 PolarHBondContact O-N 3.3Å; N1579-L1582 PolarHBondContact O-N 2.94Å; K1580-L1582 PolarHBondContact O-N 2.96Å; L1582-L1585 PolarHBondContact O-N 3.38Å; L1582-E1586 WeakPolarHBondContact O-CB 3.42Å; L1582-E1586 PolarHBondContact O-N 3.08Å
1583L75.5Confident72.6Confident109 Ų109108.7 Ų108.757%0.57152%0.52SS*.Hα-helixtrans-72.9-26.7173-71.6166.4000112.7N1579 K1580 K1587N1579-L1583 WeakPolarHBondContact O-CB 3.04Å; N1579-L1583 WeakPolarHBondContact O-CG 3.46Å; N1579-L1583 PolarHBondContact O-N 3.45Å; K1580-L1583 CarbonylContact O-C 3.4Å; K1580-L1583 PolarHBondContact O-N 3.27Å; L1583-K1587 WeakPolarHBondContact O-CB 3.25Å; L1583-K1587 PolarHBondContact O-N 2.9Å
1584E76.8Confident74.1Confident81 Ų81104.3 Ų104.338%0.37951%0.505SS..Hα-helixtrans-70.5-42.2168.7-77.3172.5145.400110.2K1580 R1581 E1588K1580-E1584 WeakPolarHBondContact CE-OE1 3.34Å; K1580-E1584 VanDerWaalsContact CE-OE2 3.28Å; K1580-E1584 WeakPolarHBondContact CE-OE2 3.27Å; K1580-E1584 HydrophobicContact CG-CG 4.44Å; K1580-E1584 IonicContact NZ-OE1 2.65Å; K1580-E1584 PolarHBondContact NZ-OE1 2.9Å; K1580-E1584 IonicContact NZ-OE2 2.8Å; K1580-E1584 WeakPolarHBondContact O-CB 3.29Å; K1580-E1584 WeakPolarHBondContact O-CG 3.32Å; K1580-E1584 PolarHBondContact O-N 3.36Å; R1581-E1584 PolarHBondContact O-N 3.08Å; E1584-E1588 VanDerWaalsContact O-CB 3.31Å; E1584-E1588 WeakPolarHBondContact O-CB 3.13Å; E1584-E1588 VanDerWaalsContact O-CG 3.25Å; E1584-E1588 WeakPolarHBondContact O-CG 3.44Å; E1584-E1588 PolarHBondContact O-N 3.22Å
1585L79.4Confident75.5Confident85 Ų85101.9 Ų101.945%0.44550%0.496SS..Hα-helixtrans-63.6-51.3171.9-99.6159.5000112.7R1581 L1582 K1587 E1588 E1589R1581-L1585 WeakPolarHBondContact O-CB 3.19Å; R1581-L1585 PolarHBondContact O-N 3.03Å; L1582-L1585 PolarHBondContact O-N 3.38Å; L1585-K1587 VanDerWaalsContact C-N 3.28Å; L1585-K1587 PolarHBondContact O-N 3.49Å; L1585-E1588 CarbonylContact O-C 3.55Å; L1585-E1588 WeakPolarHBondContact O-CA 3.31Å; L1585-E1588 WeakPolarHBondContact O-CB 3.05Å; L1585-E1588 PolarHBondContact O-N 2.82Å; L1585-E1589 WeakPolarHBondContact O-CB 3.25Å; L1585-E1589 WeakPolarHBondContact O-CG 3.45Å; L1585-E1589 PolarHBondContact O-N 2.96Å
1586E77.5Confident76.7Confident104 Ų104105.6 Ų105.649%0.48651%0.513SS..Hα-helixtrans-64.5-33.8179.2-175.4179.4-157.400110.9L1582 L1590L1582-E1586 WeakPolarHBondContact O-CB 3.42Å; L1582-E1586 PolarHBondContact O-N 3.08Å; E1586-L1590 HydrophobicContact CG-CD1 4.26Å; E1586-L1590 VanDerWaalsContact O-CB 3.23Å; E1586-L1590 WeakPolarHBondContact O-CB 3.41Å; E1586-L1590 VanDerWaalsContact O-CG 3.23Å; E1586-L1590 WeakPolarHBondContact O-CG 3.21Å; E1586-L1590 PolarHBondContact O-N 2.61Å
1587K80.1Confident78Confident116 Ų116102.8 Ų102.850%0.50451%0.507SS..Hα-helixtrans-68.9-41.4168.2-176.6-163.9159.5-72.60111.5L1583 L1585 E1589 Q1591L1583-K1587 WeakPolarHBondContact O-CB 3.25Å; L1583-K1587 PolarHBondContact O-N 2.9Å; L1585-K1587 VanDerWaalsContact C-N 3.28Å; L1585-K1587 PolarHBondContact O-N 3.49Å; K1587-E1589 VanDerWaalsContact C-N 3.34Å; K1587-Q1591 WeakPolarHBondContact O-CA 3.21Å; K1587-Q1591 WeakPolarHBondContact O-CB 3.28Å; K1587-Q1591 PolarHBondContact O-N 2.96Å
1588E81Confident79.2Confident117 Ų117101.9 Ų101.955%0.54750%0.503SS..Hα-helixtrans-65.1-38.1176.2-79.9171.3-176.400111.1E1584 L1585 T1592E1584-E1588 VanDerWaalsContact O-CB 3.31Å; E1584-E1588 WeakPolarHBondContact O-CB 3.13Å; E1584-E1588 VanDerWaalsContact O-CG 3.25Å; E1584-E1588 WeakPolarHBondContact O-CG 3.44Å; E1584-E1588 PolarHBondContact O-N 3.22Å; L1585-E1588 CarbonylContact O-C 3.55Å; L1585-E1588 WeakPolarHBondContact O-CA 3.31Å; L1585-E1588 WeakPolarHBondContact O-CB 3.05Å; L1585-E1588 PolarHBondContact O-N 2.82Å; E1588-T1592 VanDerWaalsContact O-CB 3.25Å; E1588-T1592 WeakPolarHBondContact O-CB 3.35Å; E1588-T1592 PolarHBondContact O-N 2.68Å; E1588-T1592 PolarHBondContact O-OG1 3.32Å
1589E80.7Confident80.1Confident125 Ų125100.3 Ų100.358%0.58451%0.506SS*.Hα-helixtrans-68.2-48.5173.9-73.1171.718000111.6L1585 K1587 Q1591 T1592 A1593L1585-E1589 WeakPolarHBondContact O-CB 3.25Å; L1585-E1589 WeakPolarHBondContact O-CG 3.45Å; L1585-E1589 PolarHBondContact O-N 2.96Å; K1587-E1589 VanDerWaalsContact C-N 3.34Å; E1589-Q1591 VanDerWaalsContact C-N 3.34Å; E1589-Q1591 PolarHBondContact O-N 3.35Å; E1589-T1592 PolarHBondContact O-N 3.28Å; E1589-A1593 VanDerWaalsContact O-CB 3.31Å; E1589-A1593 WeakPolarHBondContact O-CB 3.43Å; E1589-A1593 PolarHBondContact O-N 3.48Å
1590L81.4Confident81Confident116 Ų11698.4 Ų98.461%0.60750%0.503SS*.Hα-helixtrans-66.2-33.7175.2-74.6171.1000112.8E1586 L1594E1586-L1590 HydrophobicContact CG-CD1 4.26Å; E1586-L1590 VanDerWaalsContact O-CB 3.23Å; E1586-L1590 WeakPolarHBondContact O-CB 3.41Å; E1586-L1590 VanDerWaalsContact O-CG 3.23Å; E1586-L1590 WeakPolarHBondContact O-CG 3.21Å; E1586-L1590 PolarHBondContact O-N 2.61Å; L1590-L1594 VanDerWaalsContact O-CB 3.3Å; L1590-L1594 WeakPolarHBondContact O-CB 3.33Å; L1590-L1594 PolarHBondContact O-N 3.36Å
1591Q85.1Confident81.7Confident81 Ų8197.6 Ų97.638%0.37950%0.503SS..Hα-helixtrans-72.8-39.6174.3-173.3-179.5-3500110.6K1587 E1589 L1594 E1595K1587-Q1591 WeakPolarHBondContact O-CA 3.21Å; K1587-Q1591 WeakPolarHBondContact O-CB 3.28Å; K1587-Q1591 PolarHBondContact O-N 2.96Å; E1589-Q1591 VanDerWaalsContact C-N 3.34Å; E1589-Q1591 PolarHBondContact O-N 3.35Å; Q1591-L1594 PolarHBondContact O-N 3.21Å; Q1591-E1595 HydrophobicContact CG-CG 4.44Å; Q1591-E1595 WeakPolarHBondContact CG-OE1 3.34Å; Q1591-E1595 PolarHBondContact NE2-OE1 2.84Å; Q1591-E1595 WeakPolarHBondContact O-CB 3.32Å; Q1591-E1595 VanDerWaalsContact O-CG 3.29Å; Q1591-E1595 WeakPolarHBondContact O-CG 3.45Å; Q1591-E1595 PolarHBondContact O-N 2.87Å
1592T85.7Confident82.3Confident72 Ų7296.1 Ų96.144%0.44250%0.504SS..Hα-helixtrans-63.5-43.6173-56.40000110.4E1588 E1589 L1594 E1595 E1596E1588-T1592 VanDerWaalsContact O-CB 3.25Å; E1588-T1592 WeakPolarHBondContact O-CB 3.35Å; E1588-T1592 PolarHBondContact O-N 2.68Å; E1588-T1592 PolarHBondContact O-OG1 3.32Å; E1589-T1592 PolarHBondContact O-N 3.28Å; T1592-L1594 VanDerWaalsContact C-N 3.33Å; T1592-L1594 PolarHBondContact O-N 2.81Å; T1592-E1595 PolarHBondContact O-N 2.85Å; T1592-E1596 HydrophobicContact CG2-CG 4.48Å; T1592-E1596 WeakPolarHBondContact O-CB 3.48Å; T1592-E1596 WeakPolarHBondContact O-CG 3.36Å; T1592-E1596 PolarHBondContact O-N 2.84Å
1593A85.8Confident82.9Confident52 Ų5296.3 Ų96.343%0.4351%0.505SS..Hα-helixtrans-66.5-32.7176.400000112.8E1589 A1597E1589-A1593 VanDerWaalsContact O-CB 3.31Å; E1589-A1593 WeakPolarHBondContact O-CB 3.43Å; E1589-A1593 PolarHBondContact O-N 3.48Å; A1593-A1597 WeakPolarHBondContact O-CB 3.47Å; A1593-A1597 PolarHBondContact O-N 2.93Å
1594L84.3Confident83.1Confident92 Ų9295.8 Ų95.848%0.48250%0.499SS..Hα-helixtrans-70.6-45.1171.3-179.163.2000111.3L1590 Q1591 T1592 E1596 A1597 E1598L1590-L1594 VanDerWaalsContact O-CB 3.3Å; L1590-L1594 WeakPolarHBondContact O-CB 3.33Å; L1590-L1594 PolarHBondContact O-N 3.36Å; Q1591-L1594 PolarHBondContact O-N 3.21Å; T1592-L1594 VanDerWaalsContact C-N 3.33Å; T1592-L1594 PolarHBondContact O-N 2.81Å; L1594-E1596 VanDerWaalsContact C-N 3.31Å; L1594-E1596 PolarHBondContact O-N 2.85Å; L1594-A1597 PolarHBondContact O-N 3.36Å; L1594-A1597 VanDerWaalsContact O-N 3.16Å; L1594-E1598 HydrophobicContact CD1-CG 4.01Å; L1594-E1598 HydrophobicContact CG-CG 4.32Å; L1594-E1598 WeakPolarHBondContact O-CB 3.17Å; L1594-E1598 WeakPolarHBondContact O-CG 3.45Å; L1594-E1598 PolarHBondContact O-N 3Å
1595E84.1Confident83.7Confident108 Ų10897.5 Ų97.551%0.50551%0.508SS..Hα-helixtrans-63.9-35.5176.2-73.5173.6-161.800111.3Q1591 T1592 S1599Q1591-E1595 HydrophobicContact CG-CG 4.44Å; Q1591-E1595 WeakPolarHBondContact CG-OE1 3.34Å; Q1591-E1595 PolarHBondContact NE2-OE1 2.84Å; Q1591-E1595 WeakPolarHBondContact O-CB 3.32Å; Q1591-E1595 VanDerWaalsContact O-CG 3.29Å; Q1591-E1595 WeakPolarHBondContact O-CG 3.45Å; Q1591-E1595 PolarHBondContact O-N 2.87Å; T1592-E1595 PolarHBondContact O-N 2.85Å; E1595-S1599 WeakPolarHBondContact O-CB 3.11Å; E1595-S1599 PolarHBondContact O-N 3.3Å
1596E83.6Confident84Confident134 Ų13496 Ų9663%0.62650%0.504SS*.Hα-helixtrans-67.8-40.3170.1-77.3-176.517700112.3T1592 L1594 A1600T1592-E1596 HydrophobicContact CG2-CG 4.48Å; T1592-E1596 WeakPolarHBondContact O-CB 3.48Å; T1592-E1596 WeakPolarHBondContact O-CG 3.36Å; T1592-E1596 PolarHBondContact O-N 2.84Å; L1594-E1596 VanDerWaalsContact C-N 3.31Å; L1594-E1596 PolarHBondContact O-N 2.85Å; E1596-A1600 WeakPolarHBondContact O-CB 3.2Å; E1596-A1600 PolarHBondContact O-N 2.86Å
1597A84.8Confident84.5Confident59 Ų5995.3 Ų95.349%0.48850%0.5SS..Hα-helixtrans-72.8-39.1178.700000112.9A1593 L1594 A1600 L1601A1593-A1597 WeakPolarHBondContact O-CB 3.47Å; A1593-A1597 PolarHBondContact O-N 2.93Å; L1594-A1597 PolarHBondContact O-N 3.36Å; L1594-A1597 VanDerWaalsContact O-N 3.16Å; A1597-A1600 PolarHBondContact O-N 3.43Å; A1597-L1601 WeakPolarHBondContact O-CB 3.31Å; A1597-L1601 PolarHBondContact O-N 2.77Å
1598E86Confident84.8Confident109 Ų10993.1 Ų93.151%0.50950%0.496SS..Hα-helixtrans-67.8-43.7172.6-71.9-177164.200110L1594 A1600 L1601 E1602L1594-E1598 HydrophobicContact CD1-CG 4.01Å; L1594-E1598 HydrophobicContact CG-CG 4.32Å; L1594-E1598 WeakPolarHBondContact O-CB 3.17Å; L1594-E1598 WeakPolarHBondContact O-CG 3.45Å; L1594-E1598 PolarHBondContact O-N 3Å; E1598-A1600 PolarHBondContact O-N 2.92Å; E1598-L1601 PolarHBondContact O-N 2.78Å; E1598-E1602 WeakPolarHBondContact O-CB 3.05Å; E1598-E1602 WeakPolarHBondContact O-CG 3.46Å; E1598-E1602 PolarHBondContact O-N 2.93Å
1599S85.6Confident85Confident73 Ų7392.8 Ų92.851%0.5150%0.497SS..Hα-helixtrans-59.6-41.4171.5178.60000112.5E1595 L1603E1595-S1599 WeakPolarHBondContact O-CB 3.11Å; E1595-S1599 PolarHBondContact O-N 3.3Å; S1599-L1603 WeakPolarHBondContact O-CB 3.47Å; S1599-L1603 PolarHBondContact O-N 2.71Å
1600A86.2Confident85.3Confident50 Ų5091.6 Ų91.641%0.41349%0.49SS..Hα-helixtrans-67-38175.200000112.4E1596 A1597 E1598 L1603 E1604E1596-A1600 WeakPolarHBondContact O-CB 3.2Å; E1596-A1600 PolarHBondContact O-N 2.86Å; A1597-A1600 PolarHBondContact O-N 3.43Å; E1598-A1600 PolarHBondContact O-N 2.92Å; A1600-L1603 PolarHBondContact O-N 3.13Å; A1600-E1604 PolarHBondContact O-N 3.03Å
1601L86Confident85.4Confident103 Ų10389 Ų8954%0.53948%0.481SS..Hα-helixtrans-68-48174.918060.6000111.4A1597 E1598 L1603 E1604 E1605A1597-L1601 WeakPolarHBondContact O-CB 3.31Å; A1597-L1601 PolarHBondContact O-N 2.77Å; E1598-L1601 PolarHBondContact O-N 2.78Å; L1601-L1603 PolarHBondContact O-N 3.28Å; L1601-E1604 PolarHBondContact O-N 3.3Å; L1601-E1604 VanDerWaalsContact O-N 3.14Å; L1601-E1605 HydrophobicContact CD1-CG 4.22Å; L1601-E1605 PolarHBondContact O-N 3.08Å
1602E86.1Confident85.3Confident143 Ų14390.4 Ų90.467%0.66849%0.488SS*.Hα-helixtrans-58-37.4173.1-74.5-165.7160.400111.3E1598 S1606E1598-E1602 WeakPolarHBondContact O-CB 3.05Å; E1598-E1602 WeakPolarHBondContact O-CG 3.46Å; E1598-E1602 PolarHBondContact O-N 2.93Å; E1602-S1606 WeakPolarHBondContact O-CB 3.1Å; E1602-S1606 PolarHBondContact O-N 3.45Å
1603L84.4Confident85.3Confident94 Ų9489.8 Ų89.849%0.49249%0.49SS..Hα-helixtrans-66.3-41.3175.6-17271.9000112S1599 A1600 L1601 K1607S1599-L1603 WeakPolarHBondContact O-CB 3.47Å; S1599-L1603 PolarHBondContact O-N 2.71Å; A1600-L1603 PolarHBondContact O-N 3.13Å; L1601-L1603 PolarHBondContact O-N 3.28Å; L1603-K1607 HydrophobicContact CG-CD 4.42Å; L1603-K1607 WeakPolarHBondContact O-CB 3.21Å; L1603-K1607 WeakPolarHBondContact O-CD 3.22Å; L1603-K1607 WeakPolarHBondContact O-CG 3.39Å; L1603-K1607 PolarHBondContact O-N 3.5Å
1604E81.5Confident85.2Confident97 Ų9792.5 Ų92.545%0.45349%0.494SS..Hα-helixtrans-75.2-35.1176.2-70.4-53.3144.900113.5A1600 L1601 K1607 T1608A1600-E1604 PolarHBondContact O-N 3.03Å; L1601-E1604 PolarHBondContact O-N 3.3Å; L1601-E1604 VanDerWaalsContact O-N 3.14Å; E1604-K1607 PolarHBondContact O-N 3.45Å; E1604-K1607 WeakPolarHBondContact OE1-CD 3.49Å; E1604-K1607 IonicContact OE1-NZ 3.8Å; E1604-K1607 PolarHBondContact OE1-NZ 2.8Å; E1604-K1607 VanDerWaalsContact OE2-CD 3.29Å; E1604-K1607 WeakPolarHBondContact OE2-CD 3.43Å; E1604-T1608 VanDerWaalsContact O-CB 3.22Å; E1604-T1608 WeakPolarHBondContact O-CB 3.47Å; E1604-T1608 PolarHBondContact O-N 3.45Å; E1604-T1608 PolarHBondContact O-OG1 3Å
1605E87.9Confident85.2Confident118 Ų11893 Ų9355%0.55150%0.497SS*.Hα-helixtrans-65.7-41.1169.9-70.6-157.3158.400110.7L1601 T1608 L1609L1601-E1605 HydrophobicContact CD1-CG 4.22Å; L1601-E1605 PolarHBondContact O-N 3.08Å; E1605-T1608 PolarHBondContact O-N 2.93Å; E1605-L1609 WeakPolarHBondContact O-CB 3.38Å; E1605-L1609 VanDerWaalsContact O-CG 3.31Å; E1605-L1609 WeakPolarHBondContact O-CG 3.35Å; E1605-L1609 PolarHBondContact O-N 3.49Å
1606S86.9Confident85.2Confident53 Ų5391.4 Ų91.437%0.37149%0.494SS..Hα-helixtrans-63.4-44.9173.7-176.50000112E1602 T1608 L1609 K1610E1602-S1606 WeakPolarHBondContact O-CB 3.1Å; E1602-S1606 PolarHBondContact O-N 3.45Å; S1606-T1608 VanDerWaalsContact C-N 3.32Å; S1606-T1608 PolarHBondContact O-N 2.76Å; S1606-L1609 PolarHBondContact O-N 3.13Å; S1606-K1610 WeakPolarHBondContact O-CB 3.3Å; S1606-K1610 WeakPolarHBondContact O-CG 3.38Å; S1606-K1610 PolarHBondContact O-N 2.96Å
1607K87.7Confident85.3Confident90 Ų9088.3 Ų88.339%0.39148%0.48SS..Hα-helixtrans-59.4-41.5171-76.1162.6-178.9172.60111.7L1603 E1604 S1611L1603-K1607 HydrophobicContact CG-CD 4.42Å; L1603-K1607 WeakPolarHBondContact O-CB 3.21Å; L1603-K1607 WeakPolarHBondContact O-CD 3.22Å; L1603-K1607 WeakPolarHBondContact O-CG 3.39Å; L1603-K1607 PolarHBondContact O-N 3.5Å; E1604-K1607 PolarHBondContact O-N 3.45Å; E1604-K1607 WeakPolarHBondContact OE1-CD 3.49Å; E1604-K1607 IonicContact OE1-NZ 3.8Å; E1604-K1607 PolarHBondContact OE1-NZ 2.8Å; E1604-K1607 VanDerWaalsContact OE2-CD 3.29Å; E1604-K1607 WeakPolarHBondContact OE2-CD 3.43Å; K1607-S1611 VanDerWaalsContact O-CB 3.28Å; K1607-S1611 WeakPolarHBondContact O-CB 3.44Å; K1607-S1611 PolarHBondContact O-N 2.84Å; K1607-S1611 PolarHBondContact O-OG 2.93Å
1608T85.9Confident85.2Confident69 Ų6989.3 Ų89.342%0.42348%0.476SS..Hα-helixtrans-68.5-43.6179.8-63.20000111.5E1604 E1605 S1606 S1611 Q1612E1604-T1608 VanDerWaalsContact O-CB 3.22Å; E1604-T1608 WeakPolarHBondContact O-CB 3.47Å; E1604-T1608 PolarHBondContact O-N 3.45Å; E1604-T1608 PolarHBondContact O-OG1 3Å; E1605-T1608 PolarHBondContact O-N 2.93Å; S1606-T1608 VanDerWaalsContact C-N 3.32Å; S1606-T1608 PolarHBondContact O-N 2.76Å; T1608-S1611 PolarHBondContact O-N 3.47Å; T1608-Q1612 WeakPolarHBondContact O-CB 3.45Å; T1608-Q1612 WeakPolarHBondContact O-CG 3.45Å; T1608-Q1612 PolarHBondContact O-N 3.18Å
1609L86.3Confident85.2Confident111 Ų11191.9 Ų91.958%0.58148%0.481SS*.Hα-helixtrans-66.2-42.9175.8-74.9167.8000111.5E1605 S1606 Q1612 A1613E1605-L1609 WeakPolarHBondContact O-CB 3.38Å; E1605-L1609 VanDerWaalsContact O-CG 3.31Å; E1605-L1609 WeakPolarHBondContact O-CG 3.35Å; E1605-L1609 PolarHBondContact O-N 3.49Å; S1606-L1609 PolarHBondContact O-N 3.13Å; L1609-Q1612 PolarHBondContact O-N 2.96Å; L1609-A1613 WeakPolarHBondContact O-CB 3.4Å; L1609-A1613 PolarHBondContact O-N 2.93Å
1610K86.4Confident85.1Confident100 Ų10094.3 Ų94.344%0.43549%0.485SS..Hα-helixtrans-61-44.2172.1-72.5-170.6-178-149.40111.1S1606 Q1612 A1613 E1614 E1933S1606-K1610 WeakPolarHBondContact O-CB 3.3Å; S1606-K1610 WeakPolarHBondContact O-CG 3.38Å; S1606-K1610 PolarHBondContact O-N 2.96Å; K1610-Q1612 PolarHBondContact O-N 2.9Å; K1610-A1613 PolarHBondContact O-N 3.41Å; K1610-E1614 WeakPolarHBondContact O-CB 3.21Å; K1610-E1614 WeakPolarHBondContact O-CG 3.48Å; K1610-E1614 PolarHBondContact O-N 2.94Å; K1610-E1933 IonicContact NZ-OE2 2.75Å; K1610-E1933 PolarHBondContact NZ-OE2 2.96Å; K1610-E1933 VanDerWaalsContact NZ-OE2 3.12Å
1611S82.8Confident84.9Confident60 Ų6095.5 Ų95.542%0.4248%0.481SS..Hα-helixtrans-62.8-38175.3-58.50000112.8K1607 T1608 L1615K1607-S1611 VanDerWaalsContact O-CB 3.28Å; K1607-S1611 WeakPolarHBondContact O-CB 3.44Å; K1607-S1611 PolarHBondContact O-N 2.84Å; K1607-S1611 PolarHBondContact O-OG 2.93Å; T1608-S1611 PolarHBondContact O-N 3.47Å; S1611-L1615 VanDerWaalsContact O-CB 3.26Å; S1611-L1615 WeakPolarHBondContact O-CB 3.41Å; S1611-L1615 WeakPolarHBondContact O-CG 3.46Å; S1611-L1615 PolarHBondContact O-N 3.04Å
1612Q84.2Confident84.8Confident112 Ų11294.5 Ų94.552%0.52348%0.476SS..Hα-helixtrans-70.5-37.8174.9-74.4-178.83000112.3T1608 L1609 K1610 T1616T1608-Q1612 WeakPolarHBondContact O-CB 3.45Å; T1608-Q1612 WeakPolarHBondContact O-CG 3.45Å; T1608-Q1612 PolarHBondContact O-N 3.18Å; L1609-Q1612 PolarHBondContact O-N 2.96Å; K1610-Q1612 PolarHBondContact O-N 2.9Å; Q1612-T1616 WeakPolarHBondContact O-CB 3.38Å; Q1612-T1616 PolarHBondContact O-N 3.49Å; Q1612-T1616 PolarHBondContact O-OG1 3.44Å
1613A84.7Confident84.5Confident59 Ų5993 Ų9349%0.48847%0.469SS..Hα-helixtrans-66.4-45.6174.500000111.3L1609 K1610 T1616 Q1617L1609-A1613 WeakPolarHBondContact O-CB 3.4Å; L1609-A1613 PolarHBondContact O-N 2.93Å; K1610-A1613 PolarHBondContact O-N 3.41Å; A1613-T1616 PolarHBondContact O-N 3.43Å; A1613-Q1617 WeakPolarHBondContact O-CB 3.25Å; A1613-Q1617 PolarHBondContact O-N 3.19Å
1614E84.5Confident84.5Confident109 Ų10993.6 Ų93.651%0.50947%0.469SS..Hα-helixtrans-61.2-45.9173.6-73.8178.3-172.700111.4K1610 T1616 Q1617 I1618K1610-E1614 WeakPolarHBondContact O-CB 3.21Å; K1610-E1614 WeakPolarHBondContact O-CG 3.48Å; K1610-E1614 PolarHBondContact O-N 2.94Å; E1614-T1616 VanDerWaalsContact C-N 3.27Å; E1614-T1616 PolarHBondContact O-N 2.99Å; E1614-Q1617 PolarHBondContact O-N 3.34Å; E1614-I1618 WeakPolarHBondContact O-CB 3.16Å; E1614-I1618 WeakPolarHBondContact O-CD1 3.26Å; E1614-I1618 WeakPolarHBondContact O-CG1 3.38Å; E1614-I1618 PolarHBondContact O-N 3.25Å
1615L82.8Confident84.6Confident103 Ų10394.3 Ų94.354%0.53947%0.472SS..Hα-helixtrans-63.3-30174.5-77.6169.8000113.3S1611 R1619S1611-L1615 VanDerWaalsContact O-CB 3.26Å; S1611-L1615 WeakPolarHBondContact O-CB 3.41Å; S1611-L1615 WeakPolarHBondContact O-CG 3.46Å; S1611-L1615 PolarHBondContact O-N 3.04Å; L1615-R1619 WeakPolarHBondContact O-CB 3.41Å; L1615-R1619 WeakPolarHBondContact O-CD 3.33Å; L1615-R1619 WeakPolarHBondContact O-CG 3.12Å; L1615-R1619 PolarHBondContact O-N 2.98Å; L1615-R1619 VanDerWaalsContact O-N 3.1Å
1616T84.7Confident84.1Confident73 Ų7393.3 Ų93.345%0.44847%0.471SS..Hα-helixtrans-77.6-41.5176.5-56.80000111Q1612 A1613 E1614 R1619 Q1620Q1612-T1616 WeakPolarHBondContact O-CB 3.38Å; Q1612-T1616 PolarHBondContact O-N 3.49Å; Q1612-T1616 PolarHBondContact O-OG1 3.44Å; A1613-T1616 PolarHBondContact O-N 3.43Å; E1614-T1616 VanDerWaalsContact C-N 3.27Å; E1614-T1616 PolarHBondContact O-N 2.99Å; T1616-R1619 PolarHBondContact O-N 3.18Å; T1616-Q1620 WeakPolarHBondContact O-CG 3.48Å; T1616-Q1620 PolarHBondContact O-N 3.01Å
1617Q85.3Confident83.8Confident70 Ų7097.3 Ų97.333%0.32748%0.477SS..Hα-helixtrans-60.6-49.7172.4-176.8-174.5-25.500110.6A1613 E1614 R1619 Q1620 E1621A1613-Q1617 WeakPolarHBondContact O-CB 3.25Å; A1613-Q1617 PolarHBondContact O-N 3.19Å; E1614-Q1617 PolarHBondContact O-N 3.34Å; Q1617-R1619 VanDerWaalsContact C-N 3.27Å; Q1617-R1619 PolarHBondContact O-N 3.09Å; Q1617-Q1620 CarbonylContact O-C 3.56Å; Q1617-Q1620 PolarHBondContact O-N 3.47Å; Q1617-E1621 HydrophobicContact CG-CG 4.41Å; Q1617-E1621 WeakPolarHBondContact CG-OE1 3.47Å; Q1617-E1621 PolarHBondContact NE2-OE1 3.14Å; Q1617-E1621 WeakPolarHBondContact O-CG 3.02Å; Q1617-E1621 PolarHBondContact O-N 2.98Å
1618I84.1Confident83.4Confident79 Ų7996.9 Ų96.941%0.40548%0.477SS..Hα-helixtrans-61.2-35.9177.9-69.8164.4000111.2E1614 I1622E1614-I1618 WeakPolarHBondContact O-CB 3.16Å; E1614-I1618 WeakPolarHBondContact O-CD1 3.26Å; E1614-I1618 WeakPolarHBondContact O-CG1 3.38Å; E1614-I1618 PolarHBondContact O-N 3.25Å; I1618-I1622 HydrophobicContact CG2-CD1 3.72Å; I1618-I1622 HydrophobicContact CG2-CG1 4.44Å; I1618-I1622 WeakPolarHBondContact O-CB 3.44Å; I1618-I1622 WeakPolarHBondContact O-CD1 3.45Å; I1618-I1622 WeakPolarHBondContact O-CG1 3.48Å; I1618-I1622 PolarHBondContact O-N 3.13Å
1619R84.2Confident83.1Confident164 Ų16498.1 Ų98.162%0.61948%0.476SS*.Hα-helixtrans-65.3-43.1171.9-79.2166.9-178-112.63.6112.3L1615 T1616 Q1617 I1622 E1623L1615-R1619 WeakPolarHBondContact O-CB 3.41Å; L1615-R1619 WeakPolarHBondContact O-CD 3.33Å; L1615-R1619 WeakPolarHBondContact O-CG 3.12Å; L1615-R1619 PolarHBondContact O-N 2.98Å; L1615-R1619 VanDerWaalsContact O-N 3.1Å; T1616-R1619 PolarHBondContact O-N 3.18Å; Q1617-R1619 VanDerWaalsContact C-N 3.27Å; Q1617-R1619 PolarHBondContact O-N 3.09Å; R1619-I1622 PolarHBondContact O-N 3.04Å; R1619-E1623 VanDerWaalsContact O-CB 3.3Å; R1619-E1623 WeakPolarHBondContact O-CB 3.17Å; R1619-E1623 VanDerWaalsContact O-CG 3.31Å; R1619-E1623 WeakPolarHBondContact O-CG 3.19Å; R1619-E1623 PolarHBondContact O-N 2.92Å
1620Q83.6Confident82.8Confident124 Ų12499 Ų9958%0.57948%0.477SS*.Hα-helixtrans-66.5-41.1177.1-72.9174.4-1700111.9T1616 Q1617 E1623 Q1624T1616-Q1620 WeakPolarHBondContact O-CG 3.48Å; T1616-Q1620 PolarHBondContact O-N 3.01Å; Q1617-Q1620 CarbonylContact O-C 3.56Å; Q1617-Q1620 PolarHBondContact O-N 3.47Å; Q1620-E1623 PolarHBondContact O-N 3.41Å; Q1620-Q1624 VanDerWaalsContact O-CB 3.29Å; Q1620-Q1624 WeakPolarHBondContact O-CB 3.23Å; Q1620-Q1624 PolarHBondContact O-N 3.44Å
1621E82.8Confident82.3Confident74 Ų74100 Ų10035%0.34648%0.484SS..Hα-helixtrans-61-44.8173-72.6171.7-176.700111Q1617 Q1624 Q1625Q1617-E1621 HydrophobicContact CG-CG 4.41Å; Q1617-E1621 WeakPolarHBondContact CG-OE1 3.47Å; Q1617-E1621 PolarHBondContact NE2-OE1 3.14Å; Q1617-E1621 WeakPolarHBondContact O-CG 3.02Å; Q1617-E1621 PolarHBondContact O-N 2.98Å; E1621-Q1624 PolarHBondContact O-N 3.46Å; E1621-Q1625 WeakPolarHBondContact O-CB 3.16Å; E1621-Q1625 VanDerWaalsContact O-CG 3.28Å; E1621-Q1625 WeakPolarHBondContact O-CG 3.27Å; E1621-Q1625 PolarHBondContact O-N 2.85Å
1622I83.4Confident82.1Confident83 Ų83101.6 Ų101.643%0.42649%0.485SS..Hα-helixtrans-68.4-39.8176-70.4168.4000111.9I1618 R1619 Q1624 L1626I1618-I1622 HydrophobicContact CG2-CD1 3.72Å; I1618-I1622 HydrophobicContact CG2-CG1 4.44Å; I1618-I1622 WeakPolarHBondContact O-CB 3.44Å; I1618-I1622 WeakPolarHBondContact O-CD1 3.45Å; I1618-I1622 WeakPolarHBondContact O-CG1 3.48Å; I1618-I1622 PolarHBondContact O-N 3.13Å; R1619-I1622 PolarHBondContact O-N 3.04Å; I1622-Q1624 VanDerWaalsContact C-N 3.28Å; I1622-Q1624 PolarHBondContact O-N 2.96Å; I1622-L1626 HydrophobicContact CG2-CD1 3.82Å; I1622-L1626 HydrophobicContact CG2-CG 4.28Å; I1622-L1626 VanDerWaalsContact O-CB 3.24Å; I1622-L1626 WeakPolarHBondContact O-CB 3.39Å; I1622-L1626 WeakPolarHBondContact O-CG 3.34Å; I1622-L1626 PolarHBondContact O-N 2.7Å
1623E81.3Confident81.8Confident112 Ų112102.2 Ų102.252%0.52349%0.486SS..Hα-helixtrans-71.7-21.4176.2-75.9175.1-169.500112.7R1619 Q1620 R1627R1619-E1623 VanDerWaalsContact O-CB 3.3Å; R1619-E1623 WeakPolarHBondContact O-CB 3.17Å; R1619-E1623 VanDerWaalsContact O-CG 3.31Å; R1619-E1623 WeakPolarHBondContact O-CG 3.19Å; R1619-E1623 PolarHBondContact O-N 2.92Å; Q1620-E1623 PolarHBondContact O-N 3.41Å; E1623-R1627 PolarHBondContact O-NE 3.47Å; E1623-R1627 PolarHBondContact O-NH2 2.67Å
1624Q83.5Confident81.4Confident105 Ų105101.1 Ų101.149%0.49148%0.476SS..Hα-helixtrans-78.6-53.4168.3175.6167.3-15.200110.5Q1620 E1621 I1622 L1626 R1627 E1628Q1620-Q1624 VanDerWaalsContact O-CB 3.29Å; Q1620-Q1624 WeakPolarHBondContact O-CB 3.23Å; Q1620-Q1624 PolarHBondContact O-N 3.44Å; E1621-Q1624 PolarHBondContact O-N 3.46Å; I1622-Q1624 VanDerWaalsContact C-N 3.28Å; I1622-Q1624 PolarHBondContact O-N 2.96Å; Q1624-L1626 PolarHBondContact O-N 2.71Å; Q1624-R1627 WeakPolarHBondContact O-CA 3.38Å; Q1624-R1627 WeakPolarHBondContact O-CB 3.45Å; Q1624-R1627 PolarHBondContact O-N 3.16Å; Q1624-E1628 HydrophobicContact CG-CG 4.29Å; Q1624-E1628 WeakPolarHBondContact CG-OE1 3.31Å; Q1624-E1628 PolarHBondContact NE2-OE1 2.88Å; Q1624-E1628 WeakPolarHBondContact O-CG 3.39Å; Q1624-E1628 PolarHBondContact O-N 2.94Å
1625Q83Confident81Confident112 Ų112102.6 Ų102.652%0.52348%0.483SS..Hα-helixtrans-57.1-35.2176.8-74.2175.6-4.500112.7E1621 K1629E1621-Q1625 WeakPolarHBondContact O-CB 3.16Å; E1621-Q1625 VanDerWaalsContact O-CG 3.28Å; E1621-Q1625 WeakPolarHBondContact O-CG 3.27Å; E1621-Q1625 PolarHBondContact O-N 2.85Å; Q1625-K1629 VanDerWaalsContact O-CB 3.3Å; Q1625-K1629 WeakPolarHBondContact O-CB 3.47Å; Q1625-K1629 VanDerWaalsContact O-CG 3.23Å; Q1625-K1629 WeakPolarHBondContact O-CG 3.43Å; Q1625-K1629 PolarHBondContact O-N 3.49Å
1626L77.8Confident80.7Confident98 Ų98100.7 Ų100.751%0.51348%0.476SS..Hα-helixtrans-67.7-34.9174.1-78170.1000112.6I1622 Q1624 E1630I1622-L1626 HydrophobicContact CG2-CD1 3.82Å; I1622-L1626 HydrophobicContact CG2-CG 4.28Å; I1622-L1626 VanDerWaalsContact O-CB 3.24Å; I1622-L1626 WeakPolarHBondContact O-CB 3.39Å; I1622-L1626 WeakPolarHBondContact O-CG 3.34Å; I1622-L1626 PolarHBondContact O-N 2.7Å; Q1624-L1626 PolarHBondContact O-N 2.71Å; L1626-E1630 VanDerWaalsContact O-CB 3.32Å; L1626-E1630 WeakPolarHBondContact O-CB 3.45Å; L1626-E1630 VanDerWaalsContact O-CG 3.28Å; L1626-E1630 WeakPolarHBondContact O-CG 3.09Å; L1626-E1630 PolarHBondContact O-N 3.13Å
1627R80.2Confident80.3Confident136 Ų136105 Ų10551%0.51348%0.484SS..Hα-helixtrans-72.4-47.7174.3-82.5175.7-73.2159.52.6111.5E1623 Q1624 K1629 E1630 E1631E1623-R1627 PolarHBondContact O-NE 3.47Å; E1623-R1627 PolarHBondContact O-NH2 2.67Å; Q1624-R1627 WeakPolarHBondContact O-CA 3.38Å; Q1624-R1627 WeakPolarHBondContact O-CB 3.45Å; Q1624-R1627 PolarHBondContact O-N 3.16Å; R1627-K1629 PolarHBondContact O-N 2.78Å; R1627-E1630 CarbonylContact O-C 3.58Å; R1627-E1630 PolarHBondContact O-N 3.39Å; R1627-E1631 WeakPolarHBondContact O-CB 3.41Å; R1627-E1631 WeakPolarHBondContact O-CG 3.47Å; R1627-E1631 PolarHBondContact O-N 2.83Å
1628E79.3Confident79.9Confident81 Ų81107.2 Ų107.238%0.37949%0.49SS..Hα-helixtrans-54.5-41.5173.7-67.8165.8170.900110.8Q1624 E1632Q1624-E1628 HydrophobicContact CG-CG 4.29Å; Q1624-E1628 WeakPolarHBondContact CG-OE1 3.31Å; Q1624-E1628 PolarHBondContact NE2-OE1 2.88Å; Q1624-E1628 WeakPolarHBondContact O-CG 3.39Å; Q1624-E1628 PolarHBondContact O-N 2.94Å; E1628-E1632 WeakPolarHBondContact O-CB 3.4Å; E1628-E1632 WeakPolarHBondContact O-CG 3.48Å; E1628-E1632 PolarHBondContact O-N 3.24Å
1629K80.2Confident79.5Confident95 Ų95106.6 Ų106.641%0.41349%0.492SS..Hα-helixtrans-73.3-35.1173.1-67.2-57.8175.1-153.10114.3Q1625 R1627 E1631 E1632 F1633Q1625-K1629 VanDerWaalsContact O-CB 3.3Å; Q1625-K1629 WeakPolarHBondContact O-CB 3.47Å; Q1625-K1629 VanDerWaalsContact O-CG 3.23Å; Q1625-K1629 WeakPolarHBondContact O-CG 3.43Å; Q1625-K1629 PolarHBondContact O-N 3.49Å; R1627-K1629 PolarHBondContact O-N 2.78Å; K1629-E1631 VanDerWaalsContact C-N 3.3Å; K1629-E1632 VanDerWaalsContact CD-OE2 3.25Å; K1629-E1632 WeakPolarHBondContact CD-OE2 3.11Å; K1629-E1632 IonicContact NZ-OE1 3.38Å; K1629-E1632 PolarHBondContact NZ-OE1 3.27Å; K1629-E1632 IonicContact NZ-OE2 3.97Å; K1629-E1632 PolarHBondContact NZ-OE2 2.95Å; K1629-F1633 HydrophobicContact CB-CD2 4.39Å; K1629-F1633 HydrophobicContact CB-CE2 4.27Å; K1629-F1633 VanDerWaalsContact O-CB 3.25Å; K1629-F1633 WeakPolarHBondContact O-CB 3.24Å; K1629-F1633 WeakPolarHBondContact O-CD2 3.3Å; K1629-F1633 VanDerWaalsContact O-CG 3.25Å; K1629-F1633 WeakPolarHBondContact O-CG 3.42Å; K1629-F1633 PolarHBondContact O-N 3.06Å
1630E79.2Confident79.2Confident129 Ų129104.6 Ų104.660%0.60349%0.49SS*.Hα-helixtrans-66.6-33.6173.4-80.8-179.8176.100112L1626 R1627 A1634L1626-E1630 VanDerWaalsContact O-CB 3.32Å; L1626-E1630 WeakPolarHBondContact O-CB 3.45Å; L1626-E1630 VanDerWaalsContact O-CG 3.28Å; L1626-E1630 WeakPolarHBondContact O-CG 3.09Å; L1626-E1630 PolarHBondContact O-N 3.13Å; R1627-E1630 CarbonylContact O-C 3.58Å; R1627-E1630 PolarHBondContact O-N 3.39Å; E1630-A1634 VanDerWaalsContact O-CB 3.27Å; E1630-A1634 WeakPolarHBondContact O-CB 3.11Å; E1630-A1634 PolarHBondContact O-N 2.79Å
1631E77.2Confident78.7Confident123 Ų123101.5 Ų101.558%0.57548%0.482SS*.Hα-helixtrans-70.5-50.9173-73.1159.9-156.700111.2R1627 K1629 F1633 A1634 E1635R1627-E1631 WeakPolarHBondContact O-CB 3.41Å; R1627-E1631 WeakPolarHBondContact O-CG 3.47Å; R1627-E1631 PolarHBondContact O-N 2.83Å; K1629-E1631 VanDerWaalsContact C-N 3.3Å; E1631-F1633 VanDerWaalsContact C-N 3.3Å; E1631-F1633 PolarHBondContact O-N 3.04Å; E1631-A1634 CarbonylContact O-C 3.34Å; E1631-A1634 WeakPolarHBondContact O-CA 3.34Å; E1631-A1634 WeakPolarHBondContact O-CB 3.45Å; E1631-A1634 PolarHBondContact O-N 3.07Å; E1631-E1635 PolarHBondContact O-N 3.24Å
1632E78.3Confident78.4Confident93 Ų93105.2 Ų105.244%0.43549%0.493SS..Hα-helixtrans-53.9-45.5170.4-80.5177.1-14700111.8E1628 K1629 A1634 E1635 T1636E1628-E1632 WeakPolarHBondContact O-CB 3.4Å; E1628-E1632 WeakPolarHBondContact O-CG 3.48Å; E1628-E1632 PolarHBondContact O-N 3.24Å; K1629-E1632 VanDerWaalsContact CD-OE2 3.25Å; K1629-E1632 WeakPolarHBondContact CD-OE2 3.11Å; K1629-E1632 IonicContact NZ-OE1 3.38Å; K1629-E1632 PolarHBondContact NZ-OE1 3.27Å; K1629-E1632 IonicContact NZ-OE2 3.97Å; K1629-E1632 PolarHBondContact NZ-OE2 2.95Å; E1632-A1634 VanDerWaalsContact C-N 3.31Å; E1632-A1634 PolarHBondContact O-N 2.9Å; E1632-E1635 PolarHBondContact O-N 3.45Å; E1632-T1636 WeakPolarHBondContact O-CB 3.48Å; E1632-T1636 WeakPolarHBondContact O-CG2 3.48Å; E1632-T1636 PolarHBondContact O-N 3.01Å; E1632-T1636 PolarHBondContact O-OG1 3.37Å
1633F76.9Confident78.1Confident125 Ų125103.5 Ų103.555%0.54849%0.491SS..Hα-helixtrans-68.3-30176.7-73.3-47.2000112K1629 E1631 T1636 R1637K1629-F1633 HydrophobicContact CB-CD2 4.39Å; K1629-F1633 HydrophobicContact CB-CE2 4.27Å; K1629-F1633 VanDerWaalsContact O-CB 3.25Å; K1629-F1633 WeakPolarHBondContact O-CB 3.24Å; K1629-F1633 WeakPolarHBondContact O-CD2 3.3Å; K1629-F1633 VanDerWaalsContact O-CG 3.25Å; K1629-F1633 WeakPolarHBondContact O-CG 3.42Å; K1629-F1633 PolarHBondContact O-N 3.06Å; E1631-F1633 VanDerWaalsContact C-N 3.3Å; E1631-F1633 PolarHBondContact O-N 3.04Å; F1633-T1636 WeakPolarHBondContact CA-OG1 3.38Å; F1633-T1636 PolarHBondContact O-OG1 2.87Å; F1633-R1637 VanDerWaalsContact O-CB 3.31Å; F1633-R1637 WeakPolarHBondContact O-CB 3.31Å; F1633-R1637 VanDerWaalsContact O-CG 3.25Å; F1633-R1637 WeakPolarHBondContact O-CG 3.37Å; F1633-R1637 PolarHBondContact O-N 3.47Å; F1633-R1637 PolarHBondContact O-NE 2.91Å; F1633-R1637 PolarHBondContact O-NH2 2.75Å
1634A76.7Confident77.8Confident35 Ų35102.3 Ų102.329%0.28949%0.487SS..Hα-helixtrans-71.5-45.5173.700000111.3E1630 E1631 E1632 R1637 R1638E1630-A1634 VanDerWaalsContact O-CB 3.27Å; E1630-A1634 WeakPolarHBondContact O-CB 3.11Å; E1630-A1634 PolarHBondContact O-N 2.79Å; E1631-A1634 CarbonylContact O-C 3.34Å; E1631-A1634 WeakPolarHBondContact O-CA 3.34Å; E1631-A1634 WeakPolarHBondContact O-CB 3.45Å; E1631-A1634 PolarHBondContact O-N 3.07Å; E1632-A1634 VanDerWaalsContact C-N 3.31Å; E1632-A1634 PolarHBondContact O-N 2.9Å; A1634-R1637 PolarHBondContact O-N 2.82Å; A1634-R1638 WeakPolarHBondContact O-CG 3.41Å; A1634-R1638 PolarHBondContact O-N 3.44Å
1635E77.1Confident77.3Confident140 Ų140100.6 Ų100.665%0.65448%0.481SS*.Hα-helixtrans-67.8-44.6179.4-175.8165.9-149.100112.2E1631 E1632 R1637 R1638 S1639E1631-E1635 PolarHBondContact O-N 3.24Å; E1632-E1635 PolarHBondContact O-N 3.45Å; E1635-R1637 VanDerWaalsContact C-N 3.29Å; E1635-R1637 PolarHBondContact O-N 3.34Å; E1635-R1638 WeakPolarHBondContact O-CB 3.43Å; E1635-R1638 PolarHBondContact O-N 3.29Å; E1635-R1638 VanDerWaalsContact O-N 3.12Å; E1635-S1639 VanDerWaalsContact O-CB 3.3Å; E1635-S1639 WeakPolarHBondContact O-CB 3.29Å; E1635-S1639 PolarHBondContact O-N 3.31Å
1636T76Confident76.8Confident64 Ų6498.8 Ų98.839%0.39348%0.481SS..Hα-helixtrans-60.7-37.1172.950.30000111.9E1632 F1633 S1639 H1640E1632-T1636 WeakPolarHBondContact O-CB 3.48Å; E1632-T1636 WeakPolarHBondContact O-CG2 3.48Å; E1632-T1636 PolarHBondContact O-N 3.01Å; E1632-T1636 PolarHBondContact O-OG1 3.37Å; F1633-T1636 WeakPolarHBondContact CA-OG1 3.38Å; F1633-T1636 PolarHBondContact O-OG1 2.87Å; T1636-S1639 PolarHBondContact O-N 2.95Å; T1636-H1640 WeakPolarHBondContact O-CB 3.27Å; T1636-H1640 PolarHBondContact O-CD2 2.79Å; T1636-H1640 VanDerWaalsContact O-CG 3.26Å; T1636-H1640 PolarHBondContact O-N 2.71Å
1637R77.3Confident76.5Confident163 Ų16399.9 Ų99.962%0.61549%0.487SS*.Hα-helixtrans-66.4-41.9171.2-79.9176.9-69.4-173.9-1.7112.8F1633 A1634 E1635 S1641F1633-R1637 VanDerWaalsContact O-CB 3.31Å; F1633-R1637 WeakPolarHBondContact O-CB 3.31Å; F1633-R1637 VanDerWaalsContact O-CG 3.25Å; F1633-R1637 WeakPolarHBondContact O-CG 3.37Å; F1633-R1637 PolarHBondContact O-N 3.47Å; F1633-R1637 PolarHBondContact O-NE 2.91Å; F1633-R1637 PolarHBondContact O-NH2 2.75Å; A1634-R1637 PolarHBondContact O-N 2.82Å; E1635-R1637 VanDerWaalsContact C-N 3.29Å; E1635-R1637 PolarHBondContact O-N 3.34Å; R1637-S1641 WeakPolarHBondContact O-CB 3.48Å; R1637-S1641 PolarHBondContact O-N 3.39Å
1638R75.2Confident76.1Confident117 Ų11798.7 Ų98.744%0.44249%0.485SS..Hα-helixtrans-60.8-45173.8-71.5175.7-171.9-159.43.1110.8N908 A1634 E1635 S1641 R1642N908-R1638 PolarHBondContact OD1-NH1 3.02Å; N908-R1638 PolarHBondContact OD1-NH2 3.41Å; A1634-R1638 WeakPolarHBondContact O-CG 3.41Å; A1634-R1638 PolarHBondContact O-N 3.44Å; E1635-R1638 WeakPolarHBondContact O-CB 3.43Å; E1635-R1638 PolarHBondContact O-N 3.29Å; E1635-R1638 VanDerWaalsContact O-N 3.12Å; R1638-S1641 PolarHBondContact O-N 2.73Å; R1638-R1642 WeakPolarHBondContact O-CB 3.49Å; R1638-R1642 WeakPolarHBondContact O-CG 3.24Å; R1638-R1642 PolarHBondContact O-N 2.82Å
1639S76Confident75.7Confident66 Ų6697.7 Ų97.746%0.46249%0.491SS..Hα-helixtrans-64.5-49.2179.3-175.40000111.8E1635 T1636 S1641 R1642 A1643E1635-S1639 VanDerWaalsContact O-CB 3.3Å; E1635-S1639 WeakPolarHBondContact O-CB 3.29Å; E1635-S1639 PolarHBondContact O-N 3.31Å; T1636-S1639 PolarHBondContact O-N 2.95Å; S1639-S1641 VanDerWaalsContact C-N 3.35Å; S1639-S1641 PolarHBondContact O-N 3.44Å; S1639-R1642 PolarHBondContact O-N 3.2Å; S1639-A1643 WeakPolarHBondContact O-CB 3.08Å; S1639-A1643 PolarHBondContact O-N 2.75Å
1640H78.5Confident75.3Confident121 Ų12197.2 Ų97.256%0.5650%0.496SS*.Hα-helixtrans-63.2-36.2174.6-69.7-36.2000112.7T1636 I1644T1636-H1640 WeakPolarHBondContact O-CB 3.27Å; T1636-H1640 PolarHBondContact O-CD2 2.79Å; T1636-H1640 VanDerWaalsContact O-CG 3.26Å; T1636-H1640 PolarHBondContact O-N 2.71Å; H1640-I1644 VanDerWaalsContact O-CB 3.29Å; H1640-I1644 WeakPolarHBondContact O-CB 3.16Å; H1640-I1644 WeakPolarHBondContact O-CD1 3.37Å; H1640-I1644 WeakPolarHBondContact O-CG1 3.46Å; H1640-I1644 PolarHBondContact O-N 2.95Å
1641S73.9Confident74.9Confident60 Ų6096.6 Ų96.642%0.4250%0.496SS..Hα-helixtrans-62.9-54.5172-159.40000110.8R1637 R1638 S1639 A1643 I1644 D1645R1637-S1641 WeakPolarHBondContact O-CB 3.48Å; R1637-S1641 PolarHBondContact O-N 3.39Å; R1638-S1641 PolarHBondContact O-N 2.73Å; S1639-S1641 VanDerWaalsContact C-N 3.35Å; S1639-S1641 PolarHBondContact O-N 3.44Å; S1641-A1643 PolarHBondContact O-N 3.36Å; S1641-I1644 PolarHBondContact O-N 3.48Å; S1641-D1645 WeakPolarHBondContact O-CB 3.3Å; S1641-D1645 VanDerWaalsContact O-CG 3.23Å; S1641-D1645 PolarHBondContact O-N 2.76Å; S1641-D1645 PolarHBondContact OG-OD2 3.49Å
1642R75.7Confident74.5Confident151 Ų15195.6 Ų95.657%0.5749%0.492SS*.Hα-helixtrans-52.1-42.1177.6-73.4171.2175.7170.7-3.1111.9R1638 S1639 S1646R1638-R1642 WeakPolarHBondContact O-CB 3.49Å; R1638-R1642 WeakPolarHBondContact O-CG 3.24Å; R1638-R1642 PolarHBondContact O-N 2.82Å; S1639-R1642 PolarHBondContact O-N 3.2Å; R1642-S1646 WeakPolarHBondContact O-CB 2.97Å; R1642-S1646 PolarHBondContact O-N 3.14Å
1643A76.6Confident74.2Confident47 Ų4795.4 Ų95.439%0.38850%0.501SS..Hα-helixtrans-67.9-45.3176.300000112.9S1639 S1641 L1647S1639-A1643 WeakPolarHBondContact O-CB 3.08Å; S1639-A1643 PolarHBondContact O-N 2.75Å; S1641-A1643 PolarHBondContact O-N 3.36Å; A1643-L1647 WeakPolarHBondContact O-CB 3.49Å; A1643-L1647 VanDerWaalsContact O-CG 3.27Å; A1643-L1647 WeakPolarHBondContact O-CG 3.32Å; A1643-L1647 PolarHBondContact O-N 3.48Å
1644I75.4Confident73.6Confident88 Ų8894.4 Ų94.445%0.45150%0.498SS..Hα-helixtrans-62.4-43.5176.3-75166000110.8H1640 S1641 L1647 K1648H1640-I1644 VanDerWaalsContact O-CB 3.29Å; H1640-I1644 WeakPolarHBondContact O-CB 3.16Å; H1640-I1644 WeakPolarHBondContact O-CD1 3.37Å; H1640-I1644 WeakPolarHBondContact O-CG1 3.46Å; H1640-I1644 PolarHBondContact O-N 2.95Å; S1641-I1644 PolarHBondContact O-N 3.48Å; I1644-L1647 PolarHBondContact O-N 3.44Å; I1644-K1648 HydrophobicContact CG2-CD 4.27Å; I1644-K1648 HydrophobicContact CG2-CG 4.44Å; I1644-K1648 WeakPolarHBondContact O-CB 3.38Å; I1644-K1648 VanDerWaalsContact O-CG 3.3Å; I1644-K1648 WeakPolarHBondContact O-CG 3.37Å; I1644-K1648 PolarHBondContact O-N 2.74Å
1645D73.3Confident73.2Confident68 Ų6895.1 Ų95.136%0.36450%0.501SS..Hα-helixtrans-73.6-33.9-176.6-60.1-41.3000111.2S1641 K1648 A1649S1641-D1645 WeakPolarHBondContact O-CB 3.3Å; S1641-D1645 VanDerWaalsContact O-CG 3.23Å; S1641-D1645 PolarHBondContact O-N 2.76Å; S1641-D1645 PolarHBondContact OG-OD2 3.49Å; D1645-K1648 IonicContact OD1-NZ 3.87Å; D1645-K1648 PolarHBondContact OD1-NZ 2.75Å; D1645-A1649 WeakPolarHBondContact O-CB 3.46Å; D1645-A1649 PolarHBondContact O-N 3.48Å
1646S73.1Confident72.8Confident74 Ų7493.9 Ų93.952%0.51749%0.493SS..Hα-helixtrans-65.8-42.2168.3-177.20000112.7R1642 A1649 T1650R1642-S1646 WeakPolarHBondContact O-CB 2.97Å; R1642-S1646 PolarHBondContact O-N 3.14Å; S1646-A1649 PolarHBondContact O-N 3.16Å; S1646-T1650 WeakPolarHBondContact O-CB 3.43Å; S1646-T1650 PolarHBondContact O-N 3.07Å; S1646-T1650 PolarHBondContact O-OG1 2.94Å
1647L71.5Confident72.4Confident121 Ų12192.6 Ų92.663%0.63449%0.493SS*.Hα-helixtrans-66.3-40.9175.2-75.7169.3000111.9A1643 I1644 T1650 L1651A1643-L1647 WeakPolarHBondContact O-CB 3.49Å; A1643-L1647 VanDerWaalsContact O-CG 3.27Å; A1643-L1647 WeakPolarHBondContact O-CG 3.32Å; A1643-L1647 PolarHBondContact O-N 3.48Å; I1644-L1647 PolarHBondContact O-N 3.44Å; L1647-T1650 PolarHBondContact O-N 2.85Å; L1647-L1651 WeakPolarHBondContact O-CB 3.3Å; L1647-L1651 PolarHBondContact O-N 2.67Å
1648K70.7Confident71.9Confident111 Ų11191.3 Ų91.348%0.48349%0.492SS..Hα-helixtrans-58.8-50.7172.4-76173.2-169.9158.60111.4I1644 D1645 T1650 L1651 E1652I1644-K1648 HydrophobicContact CG2-CD 4.27Å; I1644-K1648 HydrophobicContact CG2-CG 4.44Å; I1644-K1648 WeakPolarHBondContact O-CB 3.38Å; I1644-K1648 VanDerWaalsContact O-CG 3.3Å; I1644-K1648 WeakPolarHBondContact O-CG 3.37Å; I1644-K1648 PolarHBondContact O-N 2.74Å; D1645-K1648 IonicContact OD1-NZ 3.87Å; D1645-K1648 PolarHBondContact OD1-NZ 2.75Å; K1648-T1650 VanDerWaalsContact C-N 3.29Å; K1648-T1650 PolarHBondContact O-N 3.38Å; K1648-L1651 PolarHBondContact O-N 3.4Å; K1648-E1652 WeakPolarHBondContact O-CB 3.08Å; K1648-E1652 PolarHBondContact O-N 2.97Å
1649A71.8Confident71.5Confident60 Ų6090.2 Ų90.250%0.49649%0.492SS..Hα-helixtrans-59.8-40.8-179.700000111.9D1645 S1646 S1653D1645-A1649 WeakPolarHBondContact O-CB 3.46Å; D1645-A1649 PolarHBondContact O-N 3.48Å; S1646-A1649 PolarHBondContact O-N 3.16Å; A1649-S1653 WeakPolarHBondContact O-CB 3.19Å; A1649-S1653 PolarHBondContact O-N 3.34Å; A1649-S1653 VanDerWaalsContact O-N 3.11Å
1650T71.5Confident71.2Confident85 Ų8593.5 Ų93.552%0.52150%0.5SS..Hα-helixtrans-65.8-49.6175.9-52.30000111.3S1646 L1647 K1648 E1652 S1653 E1654S1646-T1650 WeakPolarHBondContact O-CB 3.43Å; S1646-T1650 PolarHBondContact O-N 3.07Å; S1646-T1650 PolarHBondContact O-OG1 2.94Å; L1647-T1650 PolarHBondContact O-N 2.85Å; K1648-T1650 VanDerWaalsContact C-N 3.29Å; K1648-T1650 PolarHBondContact O-N 3.38Å; T1650-E1652 PolarHBondContact O-N 3.43Å; T1650-S1653 PolarHBondContact O-N 3.38Å; T1650-E1654 PolarHBondContact O-N 2.8Å
1651L69.4Low70.7Confident116 Ų11693.5 Ų93.561%0.60750%0.503SS*.Hα-helixtrans-65.3-38-179.2-178.264.1000112.6L1647 K1648 S1655L1647-L1651 WeakPolarHBondContact O-CB 3.3Å; L1647-L1651 PolarHBondContact O-N 2.67Å; K1648-L1651 PolarHBondContact O-N 3.4Å; L1651-S1655 WeakPolarHBondContact O-CB 3.14Å; L1651-S1655 PolarHBondContact O-N 3.07Å
1652E69.9Low70.3Confident102 Ų10293.2 Ų93.248%0.47750%0.501SS..Hα-helixtrans-66.3-40.9173.6-81.7-165.7-129.500111.8K1648 T1650 K1656K1648-E1652 WeakPolarHBondContact O-CB 3.08Å; K1648-E1652 PolarHBondContact O-N 2.97Å; T1650-E1652 PolarHBondContact O-N 3.43Å; E1652-K1656 VanDerWaalsContact O-CB 3.29Å; E1652-K1656 WeakPolarHBondContact O-CB 3.5Å; E1652-K1656 WeakPolarHBondContact O-CD 3.45Å; E1652-K1656 WeakPolarHBondContact O-CG 3.44Å; E1652-K1656 PolarHBondContact O-N 3.1Å; E1652-K1656 WeakPolarHBondContact OE2-CE 3.33Å; E1652-K1656 IonicContact OE2-NZ 2.69Å; E1652-K1656 PolarHBondContact OE2-NZ 3.32Å
1653S70.8Confident70Confident90 Ų9092 Ų9263%0.62950%0.5SS*.Hα-helixtrans-64.9-47.1176.7-167.60000111.5A1649 T1650 G1657A1649-S1653 WeakPolarHBondContact O-CB 3.19Å; A1649-S1653 PolarHBondContact O-N 3.34Å; A1649-S1653 VanDerWaalsContact O-N 3.11Å; T1650-S1653 PolarHBondContact O-N 3.38Å; S1653-G1657 PolarHBondContact O-N 3Å; S1653-G1657 VanDerWaalsContact O-N 3.11Å
1654E65.3Low69.7Low104 Ų10493.4 Ų93.449%0.48650%0.504SS..Hα-helixtrans-65.1-47.9176.8-163.7-157.9143.800111T1650 K1656 G1657 K1658T1650-E1654 PolarHBondContact O-N 2.8Å; E1654-K1656 PolarHBondContact O-N 3.47Å; E1654-G1657 PolarHBondContact O-N 2.89Å; E1654-K1658 WeakPolarHBondContact O-CB 3.37Å; E1654-K1658 PolarHBondContact O-N 3.14Å; E1654-K1658 IonicContact OE1-NZ 2.68Å; E1654-K1658 PolarHBondContact OE1-NZ 3.46Å
1655S67.4Low69.5Low49 Ų4994.9 Ų94.934%0.34351%0.507SS..Hα-helixtrans-62.9-44-177-175.90000112.3L1651 Q1659L1651-S1655 WeakPolarHBondContact O-CB 3.14Å; L1651-S1655 PolarHBondContact O-N 3.07Å; S1655-Q1659 VanDerWaalsContact O-CB 3.25Å; S1655-Q1659 WeakPolarHBondContact O-CB 3.13Å; S1655-Q1659 VanDerWaalsContact O-CG 3.27Å; S1655-Q1659 WeakPolarHBondContact O-CG 3.37Å; S1655-Q1659 PolarHBondContact O-N 3.08Å; S1655-Q1659 PolarHBondContact OG-NE2 3.28Å
1656K70.6Confident69.5Low114 Ų11498.5 Ų98.550%0.49652%0.52SS..Hα-helixtrans-64.1-52.8176.3-70.2168.2-168.4166.60110.7E1652 E1654 K1658 Q1659 E1660E1652-K1656 VanDerWaalsContact O-CB 3.29Å; E1652-K1656 WeakPolarHBondContact O-CB 3.5Å; E1652-K1656 WeakPolarHBondContact O-CD 3.45Å; E1652-K1656 WeakPolarHBondContact O-CG 3.44Å; E1652-K1656 PolarHBondContact O-N 3.1Å; E1652-K1656 WeakPolarHBondContact OE2-CE 3.33Å; E1652-K1656 IonicContact OE2-NZ 2.69Å; E1652-K1656 PolarHBondContact OE2-NZ 3.32Å; E1654-K1656 PolarHBondContact O-N 3.47Å; K1656-K1658 PolarHBondContact O-N 3.27Å; K1656-Q1659 PolarHBondContact O-N 2.69Å; K1656-E1660 WeakPolarHBondContact O-CG 2.93Å; K1656-E1660 PolarHBondContact O-N 3.42Å
1657G66.2Low69.4Low38 Ų38100.2 Ų100.239%0.39252%0.518SS..Hα-helixtrans-58.7-46179.500000113.1S1653 E1654 E1660 L1661S1653-G1657 PolarHBondContact O-N 3Å; S1653-G1657 VanDerWaalsContact O-N 3.11Å; E1654-G1657 PolarHBondContact O-N 2.89Å; G1657-E1660 PolarHBondContact O-N 3.07Å; G1657-L1661 WeakPolarHBondContact O-CB 3.32Å; G1657-L1661 PolarHBondContact O-N 2.85Å
1658K67Low69.5Low135 Ų13599.3 Ų99.359%0.58751%0.513SS*.Hα-helixtrans-67.1-36.6179.2-164.8177.5-156.4162.30112.3E1654 K1656 S1662E1654-K1658 WeakPolarHBondContact O-CB 3.37Å; E1654-K1658 PolarHBondContact O-N 3.14Å; E1654-K1658 IonicContact OE1-NZ 2.68Å; E1654-K1658 PolarHBondContact OE1-NZ 3.46Å; K1656-K1658 PolarHBondContact O-N 3.27Å; K1658-S1662 WeakPolarHBondContact O-CB 3.46Å; K1658-S1662 PolarHBondContact O-N 2.82Å
1659Q67Low69.7Low95 Ų9598.7 Ų98.744%0.44451%0.512SS..Hα-helixtrans-70-43.5173.9-79.3-168.94800112.7S1655 K1656 K1663S1655-Q1659 VanDerWaalsContact O-CB 3.25Å; S1655-Q1659 WeakPolarHBondContact O-CB 3.13Å; S1655-Q1659 VanDerWaalsContact O-CG 3.27Å; S1655-Q1659 WeakPolarHBondContact O-CG 3.37Å; S1655-Q1659 PolarHBondContact O-N 3.08Å; S1655-Q1659 PolarHBondContact OG-NE2 3.28Å; K1656-Q1659 PolarHBondContact O-N 2.69Å; Q1659-K1663 VanDerWaalsContact O-CB 3.29Å; Q1659-K1663 WeakPolarHBondContact O-CB 3.3Å; Q1659-K1663 WeakPolarHBondContact O-CD 3.4Å; Q1659-K1663 WeakPolarHBondContact O-CG 3.19Å; Q1659-K1663 PolarHBondContact O-N 3.21Å
1660E70Confident69.6Low134 Ų13498.6 Ų98.663%0.62651%0.507SS*.Hα-helixtrans-69-43.6-179.7-71.2-179.5167.900111.2K1656 G1657 K1663 T1664K1656-E1660 WeakPolarHBondContact O-CG 2.93Å; K1656-E1660 PolarHBondContact O-N 3.42Å; G1657-E1660 PolarHBondContact O-N 3.07Å; E1660-K1663 PolarHBondContact O-N 2.91Å; E1660-T1664 WeakPolarHBondContact O-CB 3.46Å; E1660-T1664 WeakPolarHBondContact O-CG2 3.5Å; E1660-T1664 PolarHBondContact O-N 3.3Å; E1660-T1664 PolarHBondContact O-OG1 3.32Å
1661L68.6Low69.8Low122 Ų12297 Ų9764%0.63950%0.496SS*.Hα-helixtrans-60.7-45.9172.7-168.877.1000111.7G1657 T1664 K1665G1657-L1661 WeakPolarHBondContact O-CB 3.32Å; G1657-L1661 PolarHBondContact O-N 2.85Å; L1661-T1664 WeakPolarHBondContact CA-OG1 3.39Å; L1661-T1664 PolarHBondContact O-OG1 3.41Å; L1661-T1664 VanDerWaalsContact O-OG1 3.09Å; L1661-K1665 WeakPolarHBondContact O-CB 3.43Å; L1661-K1665 PolarHBondContact O-N 2.72Å
1662S65.5Low70.1Confident54 Ų5495.8 Ų95.838%0.37849%0.489SS..Hα-helixtrans-67.5-39.4-179.8-174.30000112.6K1658 K1666K1658-S1662 WeakPolarHBondContact O-CB 3.46Å; K1658-S1662 PolarHBondContact O-N 2.82Å; S1662-K1666 VanDerWaalsContact O-CB 3.31Å; S1662-K1666 WeakPolarHBondContact O-CB 3.46Å; S1662-K1666 WeakPolarHBondContact O-CG 3.18Å; S1662-K1666 PolarHBondContact O-N 3Å
1663K69.3Low70.3Confident125 Ų12593.6 Ų93.654%0.54349%0.485SS..Hα-helixtrans-67.1-44.1176.3-73.7165.7-168.9163.70112Q1659 E1660 K1667Q1659-K1663 VanDerWaalsContact O-CB 3.29Å; Q1659-K1663 WeakPolarHBondContact O-CB 3.3Å; Q1659-K1663 WeakPolarHBondContact O-CD 3.4Å; Q1659-K1663 WeakPolarHBondContact O-CG 3.19Å; Q1659-K1663 PolarHBondContact O-N 3.21Å; E1660-K1663 PolarHBondContact O-N 2.91Å; K1663-K1667 WeakPolarHBondContact O-CB 3.19Å; K1663-K1667 PolarHBondContact O-N 3.23Å
1664T69.2Low70.4Confident77 Ų7795.3 Ų95.347%0.47248%0.483SS..Hα-helixtrans-69-49.9178.149.30000111.1E1660 L1661 K1667 L1668E1660-T1664 WeakPolarHBondContact O-CB 3.46Å; E1660-T1664 WeakPolarHBondContact O-CG2 3.5Å; E1660-T1664 PolarHBondContact O-N 3.3Å; E1660-T1664 PolarHBondContact O-OG1 3.32Å; L1661-T1664 WeakPolarHBondContact CA-OG1 3.39Å; L1661-T1664 PolarHBondContact O-OG1 3.41Å; L1661-T1664 VanDerWaalsContact O-OG1 3.09Å; T1664-K1667 PolarHBondContact O-N 3.44Å; T1664-L1668 WeakPolarHBondContact O-CB 3.34Å; T1664-L1668 WeakPolarHBondContact O-CG 3.44Å; T1664-L1668 PolarHBondContact O-N 3.49Å
1665K72.4Confident71Confident119 Ų11996.3 Ų96.352%0.51749%0.491SS..Hα-helixtrans-55.8-59.1177.7179.5174.5174.4177.40112L1661 K1667 L1668 E1669L1661-K1665 WeakPolarHBondContact O-CB 3.43Å; L1661-K1665 PolarHBondContact O-N 2.72Å; K1665-K1667 VanDerWaalsContact C-N 3.25Å; K1665-K1667 PolarHBondContact O-N 3.1Å; K1665-L1668 PolarHBondContact O-N 3.34Å; K1665-L1668 VanDerWaalsContact O-N 3.1Å; K1665-E1669 WeakPolarHBondContact CE-OE1 3.44Å; K1665-E1669 VanDerWaalsContact CE-OE2 3.27Å; K1665-E1669 WeakPolarHBondContact CE-OE2 3.49Å; K1665-E1669 HydrophobicContact CG-CG 4.3Å; K1665-E1669 WeakPolarHBondContact CG-OE2 3.29Å; K1665-E1669 IonicContact NZ-OE1 2.78Å; K1665-E1669 PolarHBondContact NZ-OE1 3.5Å; K1665-E1669 WeakPolarHBondContact O-CG 3.26Å; K1665-E1669 PolarHBondContact O-N 2.91Å
1666K71.3Confident71.5Confident144 Ų14499.6 Ų99.663%0.62650%0.501SS*.Hα-helixtrans-60.3-35-177.9-71.6-171.8176.1-165.60112.9S1662 S1670S1662-K1666 VanDerWaalsContact O-CB 3.31Å; S1662-K1666 WeakPolarHBondContact O-CB 3.46Å; S1662-K1666 WeakPolarHBondContact O-CG 3.18Å; S1662-K1666 PolarHBondContact O-N 3Å; K1666-S1670 VanDerWaalsContact O-CB 3.31Å; K1666-S1670 WeakPolarHBondContact O-CB 3.47Å; K1666-S1670 PolarHBondContact O-N 3.28Å
1667K72.4Confident71.7Confident109 Ų10999.6 Ų99.647%0.47451%0.506SS..Hα-helixtrans-69.1-44176.1-176.7177.7178-68.90111.5K1663 T1664 K1665 S1670 D1671K1663-K1667 WeakPolarHBondContact O-CB 3.19Å; K1663-K1667 PolarHBondContact O-N 3.23Å; T1664-K1667 PolarHBondContact O-N 3.44Å; K1665-K1667 VanDerWaalsContact C-N 3.25Å; K1665-K1667 PolarHBondContact O-N 3.1Å; K1667-S1670 PolarHBondContact O-N 3.47Å; K1667-D1671 IonicContact NZ-OD1 3.04Å; K1667-D1671 IonicContact NZ-OD2 2.83Å; K1667-D1671 PolarHBondContact NZ-OD2 3.36Å; K1667-D1671 VanDerWaalsContact O-CB 3.27Å; K1667-D1671 WeakPolarHBondContact O-CB 3.38Å; K1667-D1671 PolarHBondContact O-N 3.46Å
1668L72.7Confident72.2Confident102 Ų102100.6 Ų100.653%0.53451%0.51SS..Hα-helixtrans-66.4-41177.8-70.7170.5000111.6T1664 K1665 S1670 D1671 I1672T1664-L1668 WeakPolarHBondContact O-CB 3.34Å; T1664-L1668 WeakPolarHBondContact O-CG 3.44Å; T1664-L1668 PolarHBondContact O-N 3.49Å; K1665-L1668 PolarHBondContact O-N 3.34Å; K1665-L1668 VanDerWaalsContact O-N 3.1Å; L1668-S1670 PolarHBondContact O-N 3.02Å; L1668-D1671 PolarHBondContact O-N 3.47Å; L1668-I1672 VanDerWaalsContact O-CB 3.23Å; L1668-I1672 WeakPolarHBondContact O-CB 3.48Å; L1668-I1672 WeakPolarHBondContact O-CD1 3.26Å; L1668-I1672 WeakPolarHBondContact O-CG1 3.41Å; L1668-I1672 PolarHBondContact O-N 2.9Å
1669E74.9Confident72.8Confident98 Ų9899 Ų9946%0.45851%0.508SS..Hα-helixtrans-61.7-41.8174-69.9174142.500111.9K1665 S1673K1665-E1669 WeakPolarHBondContact CE-OE1 3.44Å; K1665-E1669 VanDerWaalsContact CE-OE2 3.27Å; K1665-E1669 WeakPolarHBondContact CE-OE2 3.49Å; K1665-E1669 HydrophobicContact CG-CG 4.3Å; K1665-E1669 WeakPolarHBondContact CG-OE2 3.29Å; K1665-E1669 IonicContact NZ-OE1 2.78Å; K1665-E1669 PolarHBondContact NZ-OE1 3.5Å; K1665-E1669 WeakPolarHBondContact O-CG 3.26Å; K1665-E1669 PolarHBondContact O-N 2.91Å; E1669-S1673 VanDerWaalsContact O-CB 3.26Å; E1669-S1673 WeakPolarHBondContact O-CB 3.49Å; E1669-S1673 PolarHBondContact O-N 2.87Å
1670S70.4Confident73.2Confident58 Ų5897.9 Ų97.941%0.40651%0.505SS..Hα-helixtrans-69.2-47.7175.5-1610000112.5K1666 K1667 L1668 I1672 S1673 E1674K1666-S1670 VanDerWaalsContact O-CB 3.31Å; K1666-S1670 WeakPolarHBondContact O-CB 3.47Å; K1666-S1670 PolarHBondContact O-N 3.28Å; K1667-S1670 PolarHBondContact O-N 3.47Å; L1668-S1670 PolarHBondContact O-N 3.02Å; S1670-I1672 VanDerWaalsContact C-N 3.29Å; S1670-I1672 PolarHBondContact O-N 3.48Å; S1670-S1673 PolarHBondContact O-N 3.46Å; S1670-E1674 WeakPolarHBondContact O-CB 3.37Å; S1670-E1674 WeakPolarHBondContact O-CG 3.23Å; S1670-E1674 PolarHBondContact O-N 2.85Å
1671D74.5Confident73.6Confident53 Ų5398 Ų9828%0.28351%0.505SS..Hα-helixtrans-61.1-39.1178.4-73.5-15.4000110.5K1667 L1668 L1675K1667-D1671 IonicContact NZ-OD1 3.04Å; K1667-D1671 IonicContact NZ-OD2 2.83Å; K1667-D1671 PolarHBondContact NZ-OD2 3.36Å; K1667-D1671 VanDerWaalsContact O-CB 3.27Å; K1667-D1671 WeakPolarHBondContact O-CB 3.38Å; K1667-D1671 PolarHBondContact O-N 3.46Å; L1668-D1671 PolarHBondContact O-N 3.47Å; D1671-L1675 WeakPolarHBondContact O-CB 3.27Å; D1671-L1675 WeakPolarHBondContact O-CD1 3.34Å; D1671-L1675 WeakPolarHBondContact O-CG 3.39Å; D1671-L1675 PolarHBondContact O-N 3.41Å; D1671-L1675 VanDerWaalsContact O-N 3.12Å
1672I75.9Confident74.1Confident89 Ų8994.8 Ų94.846%0.45650%0.496SS..Hα-helixtrans-67.5-51.2174.7-71.7166.5000110.4L1668 S1670 E1674 L1675 E1676L1668-I1672 VanDerWaalsContact O-CB 3.23Å; L1668-I1672 WeakPolarHBondContact O-CB 3.48Å; L1668-I1672 WeakPolarHBondContact O-CD1 3.26Å; L1668-I1672 WeakPolarHBondContact O-CG1 3.41Å; L1668-I1672 PolarHBondContact O-N 2.9Å; S1670-I1672 VanDerWaalsContact C-N 3.29Å; S1670-I1672 PolarHBondContact O-N 3.48Å; I1672-E1674 VanDerWaalsContact C-N 3.33Å; I1672-E1674 PolarHBondContact O-N 3.33Å; I1672-L1675 CarbonylContact O-C 3.59Å; I1672-L1675 PolarHBondContact O-N 2.91Å; I1672-L1675 VanDerWaalsContact O-N 3.08Å; I1672-E1676 HydrophobicContact CG2-CG 4.12Å; I1672-E1676 WeakPolarHBondContact O-CB 3.39Å; I1672-E1676 WeakPolarHBondContact O-CG 3.34Å; I1672-E1676 PolarHBondContact O-N 3.37Å
1673S75.3Confident74.8Confident57 Ų5797.6 Ų97.640%0.39950%0.503SS..Hα-helixtrans-62.9-37.3-177.8-171.30000112.6E1669 S1670 L1677E1669-S1673 VanDerWaalsContact O-CB 3.26Å; E1669-S1673 WeakPolarHBondContact O-CB 3.49Å; E1669-S1673 PolarHBondContact O-N 2.87Å; S1670-S1673 PolarHBondContact O-N 3.46Å; S1673-L1677 VanDerWaalsContact O-CB 3.3Å; S1673-L1677 WeakPolarHBondContact O-CB 3.45Å; S1673-L1677 VanDerWaalsContact O-CG 3.23Å; S1673-L1677 WeakPolarHBondContact O-CG 3.45Å; S1673-L1677 PolarHBondContact O-N 3.27Å
1674E73.6Confident75.2Confident126 Ų12697.3 Ų97.359%0.58950%0.502SS*.Hα-helixtrans-65-41.4171.9-76.4-179.2-144.500112.3S1670 I1672 A1678S1670-E1674 WeakPolarHBondContact O-CB 3.37Å; S1670-E1674 WeakPolarHBondContact O-CG 3.23Å; S1670-E1674 PolarHBondContact O-N 2.85Å; I1672-E1674 VanDerWaalsContact C-N 3.33Å; I1672-E1674 PolarHBondContact O-N 3.33Å; E1674-A1678 WeakPolarHBondContact O-CB 3.41Å; E1674-A1678 PolarHBondContact O-N 3.01Å
1675L76.5Confident75.8Confident124 Ų12495.7 Ų95.765%0.64949%0.494SS*.Hα-helixtrans-68.7-38.6176.8-75.4170.4000112.4D1671 I1672 A1678 L1679D1671-L1675 WeakPolarHBondContact O-CB 3.27Å; D1671-L1675 WeakPolarHBondContact O-CD1 3.34Å; D1671-L1675 WeakPolarHBondContact O-CG 3.39Å; D1671-L1675 PolarHBondContact O-N 3.41Å; D1671-L1675 VanDerWaalsContact O-N 3.12Å; I1672-L1675 CarbonylContact O-C 3.59Å; I1672-L1675 PolarHBondContact O-N 2.91Å; I1672-L1675 VanDerWaalsContact O-N 3.08Å; L1675-A1678 PolarHBondContact O-N 2.88Å; L1675-L1679 WeakPolarHBondContact O-CB 3.39Å; L1675-L1679 PolarHBondContact O-N 2.96Å
1676E79Confident76.2Confident118 Ų11894.7 Ų94.755%0.55149%0.494SS*.Hα-helixtrans-65-49.5174.3-73.8177.4156.100110.8I1672 A1678 L1679 D1680I1672-E1676 HydrophobicContact CG2-CG 4.12Å; I1672-E1676 WeakPolarHBondContact O-CB 3.39Å; I1672-E1676 WeakPolarHBondContact O-CG 3.34Å; I1672-E1676 PolarHBondContact O-N 3.37Å; E1676-A1678 VanDerWaalsContact C-N 3.31Å; E1676-A1678 PolarHBondContact O-N 3.29Å; E1676-L1679 PolarHBondContact O-N 3.28Å; E1676-D1680 WeakPolarHBondContact O-CB 3.49Å; E1676-D1680 PolarHBondContact O-N 3.01Å
1677L73.6Confident76.7Confident115 Ų11590 Ų9060%0.60248%0.482SS*.Hα-helixtrans-61.1-37.5175.8-73.6168.6000112.4S1673 H1681S1673-L1677 VanDerWaalsContact O-CB 3.3Å; S1673-L1677 WeakPolarHBondContact O-CB 3.45Å; S1673-L1677 VanDerWaalsContact O-CG 3.23Å; S1673-L1677 WeakPolarHBondContact O-CG 3.45Å; S1673-L1677 PolarHBondContact O-N 3.27Å; L1677-H1681 WeakPolarHBondContact O-CB 3.34Å; L1677-H1681 PolarHBondContact O-N 2.87Å
1678A77Confident77Confident58 Ų5888.7 Ų88.748%0.47948%0.48SS..Hα-helixtrans-69.8-40.9175.600000112.5E1674 L1675 E1676 A1682E1674-A1678 WeakPolarHBondContact O-CB 3.41Å; E1674-A1678 PolarHBondContact O-N 3.01Å; L1675-A1678 PolarHBondContact O-N 2.88Å; E1676-A1678 VanDerWaalsContact C-N 3.31Å; E1676-A1678 PolarHBondContact O-N 3.29Å; A1678-A1682 VanDerWaalsContact O-CB 3.32Å; A1678-A1682 WeakPolarHBondContact O-CB 3.39Å; A1678-A1682 PolarHBondContact O-N 3.39Å
1679L78.8Confident77.4Confident103 Ų10389.8 Ų89.854%0.53948%0.481SS..Hα-helixtrans-64.5-44.2175.3178.961000111L1675 E1676 A1682 H1683L1675-L1679 WeakPolarHBondContact O-CB 3.39Å; L1675-L1679 PolarHBondContact O-N 2.96Å; E1676-L1679 PolarHBondContact O-N 3.28Å; L1679-A1682 PolarHBondContact O-N 2.92Å; L1679-H1683 PolarHBondContact O-CD2 2.68Å; L1679-H1683 PolarHBondContact O-N 3.2Å
1680D77.2Confident77.7Confident70 Ų7088 Ų8837%0.37448%0.477SS..Hα-helixtrans-70.3-37.3179.9-164.847.6000111.6E1676 H1683 K1684E1676-D1680 WeakPolarHBondContact O-CB 3.49Å; E1676-D1680 PolarHBondContact O-N 3.01Å; D1680-H1683 PolarHBondContact O-N 3.29Å; D1680-K1684 WeakPolarHBondContact O-CB 3.27Å; D1680-K1684 WeakPolarHBondContact O-CD 3.25Å; D1680-K1684 VanDerWaalsContact O-CG 3.26Å; D1680-K1684 WeakPolarHBondContact O-CG 3.34Å; D1680-K1684 PolarHBondContact O-N 3.21Å; D1680-K1684 IonicContact OD1-NZ 3.72Å; D1680-K1684 VanDerWaalsContact OD2-CE 3.26Å; D1680-K1684 WeakPolarHBondContact OD2-CE 3.43Å; D1680-K1684 IonicContact OD2-NZ 3.73Å; D1680-K1684 PolarHBondContact OD2-NZ 3.14Å
1681H78.2Confident78.2Confident137 Ų13790.9 Ų90.963%0.63448%0.482SS*.Hα-helixtrans-64.2-41.5168.8-173.581.3000112L1677 K1684 S1685L1677-H1681 WeakPolarHBondContact O-CB 3.34Å; L1677-H1681 PolarHBondContact O-N 2.87Å; H1681-K1684 PolarHBondContact O-N 3.01Å; H1681-S1685 WeakPolarHBondContact O-CB 3.49Å; H1681-S1685 PolarHBondContact O-N 3.4Å
1682A79.1Confident78.5Confident55 Ų5592.4 Ų92.446%0.45549%0.487SS..Hα-helixtrans-65-39.9175.500000112.1A1678 L1679 N1686A1678-A1682 VanDerWaalsContact O-CB 3.32Å; A1678-A1682 WeakPolarHBondContact O-CB 3.39Å; A1678-A1682 PolarHBondContact O-N 3.39Å; L1679-A1682 PolarHBondContact O-N 2.92Å; A1682-N1686 VanDerWaalsContact O-CB 3.24Å; A1682-N1686 WeakPolarHBondContact O-CB 3.47Å; A1682-N1686 PolarHBondContact O-N 3.11Å
1683H79.6Confident78.6Confident113 Ų11393.3 Ų93.352%0.52349%0.493SS..Hα-helixtrans-66.1-44.8173.7-81.1-64.3000112.3L1679 D1680 N1686 A1687L1679-H1683 PolarHBondContact O-CD2 2.68Å; L1679-H1683 PolarHBondContact O-N 3.2Å; D1680-H1683 PolarHBondContact O-N 3.29Å; H1683-N1686 PolarHBondContact O-N 2.95Å; H1683-A1687 VanDerWaalsContact O-CB 3.25Å; H1683-A1687 WeakPolarHBondContact O-CB 3.36Å; H1683-A1687 PolarHBondContact O-N 3.08Å
1684K78.6Confident78.9Confident118 Ų11897 Ų9751%0.51350%0.501SS..Hα-helixtrans-61.4-47.3175.5-75.6164.1178.31670111.4D1680 H1681 N1686 A1687 D1688D1680-K1684 WeakPolarHBondContact O-CB 3.27Å; D1680-K1684 WeakPolarHBondContact O-CD 3.25Å; D1680-K1684 VanDerWaalsContact O-CG 3.26Å; D1680-K1684 WeakPolarHBondContact O-CG 3.34Å; D1680-K1684 PolarHBondContact O-N 3.21Å; D1680-K1684 IonicContact OD1-NZ 3.72Å; D1680-K1684 VanDerWaalsContact OD2-CE 3.26Å; D1680-K1684 WeakPolarHBondContact OD2-CE 3.43Å; D1680-K1684 IonicContact OD2-NZ 3.73Å; D1680-K1684 PolarHBondContact OD2-NZ 3.14Å; H1681-K1684 PolarHBondContact O-N 3.01Å; K1684-N1686 PolarHBondContact O-N 2.97Å; K1684-A1687 PolarHBondContact O-N 3.37Å; K1684-D1688 WeakPolarHBondContact O-CB 3.38Å; K1684-D1688 PolarHBondContact O-N 3.33Å
1685S80.3Confident79.3Confident43 Ų4399.9 Ų99.930%0.30151%0.507SS..Hα-helixtrans-59.2-46.8175.4179.20000112.3H1681 D1688 F1689H1681-S1685 WeakPolarHBondContact O-CB 3.49Å; H1681-S1685 PolarHBondContact O-N 3.4Å; S1685-D1688 PolarHBondContact O-N 3.3Å; S1685-F1689 WeakPolarHBondContact O-CD2 3.27Å; S1685-F1689 WeakPolarHBondContact O-CG 3.37Å; S1685-F1689 PolarHBondContact O-N 2.68Å; S1685-F1689 WeakPolarHBondContact OG-CE2 3.16Å
1686N81.2Confident79.4Confident99 Ų9999.8 Ų99.853%0.52950%0.499SS..Hα-helixtrans-65.7-39177.1-17014.5000112.2A1682 H1683 K1684 T1690A1682-N1686 VanDerWaalsContact O-CB 3.24Å; A1682-N1686 WeakPolarHBondContact O-CB 3.47Å; A1682-N1686 PolarHBondContact O-N 3.11Å; H1683-N1686 PolarHBondContact O-N 2.95Å; K1684-N1686 PolarHBondContact O-N 2.97Å; N1686-T1690 VanDerWaalsContact O-CB 3.3Å; N1686-T1690 WeakPolarHBondContact O-CB 3.31Å; N1686-T1690 PolarHBondContact O-N 2.68Å; N1686-T1690 PolarHBondContact O-OG1 3.44Å
1687A81.1Confident79.5Confident44 Ų44100.2 Ų100.236%0.36450%0.501SS..Hα-helixtrans-64.2-39.8174.300000111.8H1683 K1684 T1690 K1691H1683-A1687 VanDerWaalsContact O-CB 3.25Å; H1683-A1687 WeakPolarHBondContact O-CB 3.36Å; H1683-A1687 PolarHBondContact O-N 3.08Å; K1684-A1687 PolarHBondContact O-N 3.37Å; A1687-T1690 WeakPolarHBondContact O-CB 3.28Å; A1687-T1690 PolarHBondContact O-N 3.4Å; A1687-K1691 VanDerWaalsContact O-CG 3.28Å; A1687-K1691 WeakPolarHBondContact O-CG 3.33Å; A1687-K1691 PolarHBondContact O-N 3.24Å
1688D79.1Confident79.7Confident83 Ų8399.8 Ų99.844%0.44450%0.496SS..Hα-helixtrans-74-38.9178-74-22000112.6K1684 S1685 T1690 K1691 Q1692K1684-D1688 WeakPolarHBondContact O-CB 3.38Å; K1684-D1688 PolarHBondContact O-N 3.33Å; S1685-D1688 PolarHBondContact O-N 3.3Å; D1688-T1690 VanDerWaalsContact C-N 3.28Å; D1688-T1690 PolarHBondContact O-N 2.94Å; D1688-K1691 PolarHBondContact O-N 3.4Å; D1688-K1691 WeakPolarHBondContact OD1-CD 3.36Å; D1688-K1691 WeakPolarHBondContact OD1-CE 3.13Å; D1688-K1691 IonicContact OD1-NZ 2.77Å; D1688-K1691 PolarHBondContact OD1-NZ 3.05Å; D1688-Q1692 VanDerWaalsContact O-CB 3.28Å; D1688-Q1692 WeakPolarHBondContact O-CB 3.5Å; D1688-Q1692 PolarHBondContact O-N 2.75Å
1689F81.6Confident79.8Confident124 Ų124102 Ų10254%0.54450%0.496SS..Hα-helixtrans-60.3-38.5167.7-71.4-46.7000111.7S1685 Q1692 L1693S1685-F1689 WeakPolarHBondContact O-CD2 3.27Å; S1685-F1689 WeakPolarHBondContact O-CG 3.37Å; S1685-F1689 PolarHBondContact O-N 2.68Å; S1685-F1689 WeakPolarHBondContact OG-CE2 3.16Å; F1689-Q1692 PolarHBondContact O-N 2.85Å; F1689-L1693 WeakPolarHBondContact O-CB 3.48Å; F1689-L1693 PolarHBondContact O-N 3.37Å
1690T80.5Confident79.8Confident61 Ų61101.8 Ų101.837%0.37450%0.495SS..Hα-helixtrans-65.9-41.2174.6-60.90000111.9N1686 A1687 D1688 Q1692 K1694N1686-T1690 VanDerWaalsContact O-CB 3.3Å; N1686-T1690 WeakPolarHBondContact O-CB 3.31Å; N1686-T1690 PolarHBondContact O-N 2.68Å; N1686-T1690 PolarHBondContact O-OG1 3.44Å; A1687-T1690 WeakPolarHBondContact O-CB 3.28Å; A1687-T1690 PolarHBondContact O-N 3.4Å; D1688-T1690 VanDerWaalsContact C-N 3.28Å; D1688-T1690 PolarHBondContact O-N 2.94Å; T1690-Q1692 VanDerWaalsContact C-N 3.35Å; T1690-K1694 WeakPolarHBondContact O-CB 3.5Å; T1690-K1694 WeakPolarHBondContact O-CG 3.49Å; T1690-K1694 PolarHBondContact O-N 3.34Å
1691K81Confident80Confident118 Ų118105.8 Ų105.851%0.51350%0.504SS..Hα-helixtrans-64-39.1172.1-69.6167.3-154.2162.80111.5A1687 D1688 K1694 R1695A1687-K1691 VanDerWaalsContact O-CG 3.28Å; A1687-K1691 WeakPolarHBondContact O-CG 3.33Å; A1687-K1691 PolarHBondContact O-N 3.24Å; D1688-K1691 PolarHBondContact O-N 3.4Å; D1688-K1691 WeakPolarHBondContact OD1-CD 3.36Å; D1688-K1691 WeakPolarHBondContact OD1-CE 3.13Å; D1688-K1691 IonicContact OD1-NZ 2.77Å; D1688-K1691 PolarHBondContact OD1-NZ 3.05Å; K1691-K1694 PolarHBondContact O-N 2.88Å; K1691-R1695 WeakPolarHBondContact O-CB 3.4Å; K1691-R1695 WeakPolarHBondContact O-CG 3.27Å; K1691-R1695 PolarHBondContact O-N 3.44Å
1692Q81.4Confident79.9Confident85 Ų85104.3 Ų104.340%0.39750%0.498SS..Hα-helixtrans-72.2-40.6-178.5-170.61731.600111.7D1688 F1689 T1690 R1695 Y1696D1688-Q1692 VanDerWaalsContact O-CB 3.28Å; D1688-Q1692 WeakPolarHBondContact O-CB 3.5Å; D1688-Q1692 PolarHBondContact O-N 2.75Å; F1689-Q1692 PolarHBondContact O-N 2.85Å; T1690-Q1692 VanDerWaalsContact C-N 3.35Å; Q1692-R1695 PolarHBondContact O-N 2.91Å; Q1692-Y1696 HydrophobicContact CG-CD2 4.04Å; Q1692-Y1696 HydrophobicContact CG-CE2 3.52Å; Q1692-Y1696 PolarHBondContact NE2-OH 3.28Å; Q1692-Y1696 WeakPolarHBondContact O-CD2 3.2Å; Q1692-Y1696 PolarHBondContact O-N 3.35Å
1693L78.4Confident79.9Confident109 Ų109106.5 Ų106.557%0.57150%0.501SS*.Hα-helixtrans-58.1-46.3168.3-89164.3000111.6F1689 R1695 Y1696 Q1697F1689-L1693 WeakPolarHBondContact O-CB 3.48Å; F1689-L1693 PolarHBondContact O-N 3.37Å; L1693-R1695 PolarHBondContact O-N 3.04Å; L1693-Y1696 PolarHBondContact O-N 3.41Å; L1693-Q1697 WeakPolarHBondContact O-CG 3.5Å; L1693-Q1697 PolarHBondContact O-N 3.36Å
1694K81.9Confident79.8Confident134 Ų134105.9 Ų105.958%0.58350%0.499SS*.Hα-helixtrans-61.5-42.1174.2-75.4178.9178.6-178.50112.2T1690 K1691 Y1696 Q1697 E1698T1690-K1694 WeakPolarHBondContact O-CB 3.5Å; T1690-K1694 WeakPolarHBondContact O-CG 3.49Å; T1690-K1694 PolarHBondContact O-N 3.34Å; K1691-K1694 PolarHBondContact O-N 2.88Å; K1694-Y1696 PolarHBondContact O-N 3.02Å; K1694-Q1697 PolarHBondContact O-N 2.57Å; K1694-E1698 WeakPolarHBondContact O-CB 3.42Å; K1694-E1698 PolarHBondContact O-N 2.93Å
1695R81.2Confident79.8Confident187 Ų187104.6 Ų104.671%0.70650%0.497SS*.Hα-helixtrans-61.9-40.6174.2-79.2178.2174.9179.1-1.3112.4K1691 Q1692 L1693 E1698 Q1699K1691-R1695 WeakPolarHBondContact O-CB 3.4Å; K1691-R1695 WeakPolarHBondContact O-CG 3.27Å; K1691-R1695 PolarHBondContact O-N 3.44Å; Q1692-R1695 PolarHBondContact O-N 2.91Å; L1693-R1695 PolarHBondContact O-N 3.04Å; R1695-E1698 PolarHBondContact O-N 2.96Å; R1695-Q1699 WeakPolarHBondContact O-CB 3.48Å; R1695-Q1699 WeakPolarHBondContact O-CG 3.34Å; R1695-Q1699 PolarHBondContact O-N 3.14Å
1696Y79.3Confident79.6Confident122 Ų122108 Ų10848%0.47851%0.508SS..Hα-helixtrans-70.6-36.7175.3-68.6-42.7000112.4Q1692 L1693 K1694 Q1699 I1700Q1692-Y1696 HydrophobicContact CG-CD2 4.04Å; Q1692-Y1696 HydrophobicContact CG-CE2 3.52Å; Q1692-Y1696 PolarHBondContact NE2-OH 3.28Å; Q1692-Y1696 WeakPolarHBondContact O-CD2 3.2Å; Q1692-Y1696 PolarHBondContact O-N 3.35Å; L1693-Y1696 PolarHBondContact O-N 3.41Å; K1694-Y1696 PolarHBondContact O-N 3.02Å; Y1696-Q1699 PolarHBondContact O-N 3.17Å; Y1696-I1700 VanDerWaalsContact O-CB 3.31Å; Y1696-I1700 WeakPolarHBondContact O-CB 3.39Å; Y1696-I1700 WeakPolarHBondContact O-CD1 3.46Å; Y1696-I1700 WeakPolarHBondContact O-CG1 3.2Å; Y1696-I1700 PolarHBondContact O-N 3.29Å
1697Q79.7Confident79.5Confident127 Ų127107.1 Ų107.159%0.59351%0.506SS*.Hα-helixtrans-62-43.9170.7-73.4173.2-12.100111.4L1693 K1694 R1701L1693-Q1697 WeakPolarHBondContact O-CG 3.5Å; L1693-Q1697 PolarHBondContact O-N 3.36Å; K1694-Q1697 PolarHBondContact O-N 2.57Å; Q1697-R1701 VanDerWaalsContact O-CB 3.27Å; Q1697-R1701 WeakPolarHBondContact O-CB 3.43Å; Q1697-R1701 PolarHBondContact O-N 2.89Å
1698E78.8Confident79.3Confident106 Ų106108.5 Ų108.550%0.49551%0.508SS..Hα-helixtrans-65.8-42.2176.4-153.870.6-121.900111.5K1694 R1695 R1701 Q1702K1694-E1698 WeakPolarHBondContact O-CB 3.42Å; K1694-E1698 PolarHBondContact O-N 2.93Å; R1695-E1698 PolarHBondContact O-N 2.96Å; E1698-R1701 CarbonylContact O-C 3.49Å; E1698-R1701 PolarHBondContact O-N 3.12Å; E1698-Q1702 WeakPolarHBondContact O-CB 3.4Å; E1698-Q1702 VanDerWaalsContact O-CG 3.25Å; E1698-Q1702 WeakPolarHBondContact O-CG 3.4Å; E1698-Q1702 PolarHBondContact O-N 3.22Å
1699Q79.6Confident79.2Confident105 Ų105109.8 Ų109.849%0.49151%0.511SS..Hα-helixtrans-67.1-41.3175.7-80.3-175-3600112.7R1695 Y1696 R1701 Q1702 L1703R1695-Q1699 WeakPolarHBondContact O-CB 3.48Å; R1695-Q1699 WeakPolarHBondContact O-CG 3.34Å; R1695-Q1699 PolarHBondContact O-N 3.14Å; Y1696-Q1699 PolarHBondContact O-N 3.17Å; Q1699-R1701 VanDerWaalsContact C-N 3.28Å; Q1699-R1701 PolarHBondContact O-N 2.76Å; Q1699-Q1702 PolarHBondContact O-N 2.99Å; Q1699-L1703 WeakPolarHBondContact O-CB 3.48Å; Q1699-L1703 VanDerWaalsContact O-CG 3.29Å; Q1699-L1703 WeakPolarHBondContact O-CG 3.36Å; Q1699-L1703 PolarHBondContact O-N 3.1Å
1700I79.1Confident78.8Confident98 Ų98109 Ų10950%0.50351%0.509SS..Hα-helixtrans-62-41.7173.5-71.9164.8000109.5Y1696 L1703 Q1704Y1696-I1700 VanDerWaalsContact O-CB 3.31Å; Y1696-I1700 WeakPolarHBondContact O-CB 3.39Å; Y1696-I1700 WeakPolarHBondContact O-CD1 3.46Å; Y1696-I1700 WeakPolarHBondContact O-CG1 3.2Å; Y1696-I1700 PolarHBondContact O-N 3.29Å; I1700-L1703 PolarHBondContact O-N 3.35Å; I1700-Q1704 HydrophobicContact CG2-CG 4.47Å; I1700-Q1704 WeakPolarHBondContact O-CB 3.43Å; I1700-Q1704 VanDerWaalsContact O-CG 3.25Å; I1700-Q1704 WeakPolarHBondContact O-CG 3.49Å; I1700-Q1704 PolarHBondContact O-N 3.45Å
1701R79.6Confident78.6Confident154 Ų154109 Ų10958%0.58151%0.505SS*.Hα-helixtrans-67.9-36.7176.5-164.3179-159.6159.59.1113Q1697 E1698 Q1699 N1705Q1697-R1701 VanDerWaalsContact O-CB 3.27Å; Q1697-R1701 WeakPolarHBondContact O-CB 3.43Å; Q1697-R1701 PolarHBondContact O-N 2.89Å; E1698-R1701 CarbonylContact O-C 3.49Å; E1698-R1701 PolarHBondContact O-N 3.12Å; Q1699-R1701 VanDerWaalsContact C-N 3.28Å; Q1699-R1701 PolarHBondContact O-N 2.76Å; R1701-N1705 VanDerWaalsContact O-CB 3.3Å; R1701-N1705 WeakPolarHBondContact O-CB 3.2Å; R1701-N1705 PolarHBondContact O-N 2.71Å; R1701-N1705 PolarHBondContact O-OD1 2.96Å
1702Q77.9Confident78.4Confident105 Ų105110.9 Ų110.949%0.49151%0.509SS..Hα-helixtrans-69.1-40.7173.9-76.6173.24.700111.5E1698 Q1699 N1705 Q1706E1698-Q1702 WeakPolarHBondContact O-CB 3.4Å; E1698-Q1702 VanDerWaalsContact O-CG 3.25Å; E1698-Q1702 WeakPolarHBondContact O-CG 3.4Å; E1698-Q1702 PolarHBondContact O-N 3.22Å; Q1699-Q1702 PolarHBondContact O-N 2.99Å; Q1702-N1705 PolarHBondContact O-N 2.94Å; Q1702-Q1706 WeakPolarHBondContact O-CB 3.43Å; Q1702-Q1706 WeakPolarHBondContact O-CG 3.22Å; Q1702-Q1706 PolarHBondContact O-N 2.93Å
1703L77.5Confident78.2Confident102 Ų102110.5 Ų110.553%0.53451%0.509SS..Hα-helixtrans-68.8-36.8174.2-73168.7000111.8Q1699 I1700 Q1706 V1707Q1699-L1703 WeakPolarHBondContact O-CB 3.48Å; Q1699-L1703 VanDerWaalsContact O-CG 3.29Å; Q1699-L1703 WeakPolarHBondContact O-CG 3.36Å; Q1699-L1703 PolarHBondContact O-N 3.1Å; I1700-L1703 PolarHBondContact O-N 3.35Å; L1703-Q1706 PolarHBondContact O-N 3.35Å; L1703-V1707 VanDerWaalsContact O-CB 3.26Å; L1703-V1707 WeakPolarHBondContact O-CB 3.46Å; L1703-V1707 VanDerWaalsContact O-CG2 3.24Å; L1703-V1707 WeakPolarHBondContact O-CG2 3.45Å; L1703-V1707 PolarHBondContact O-N 3.23Å
1704Q78Confident78Confident100 Ų100113.4 Ų113.447%0.46751%0.513SS..Hα-helixtrans-63.2-49169.8-77.5174-36.800110.8I1700 Q1706 V1707 D1708I1700-Q1704 HydrophobicContact CG2-CG 4.47Å; I1700-Q1704 WeakPolarHBondContact O-CB 3.43Å; I1700-Q1704 VanDerWaalsContact O-CG 3.25Å; I1700-Q1704 WeakPolarHBondContact O-CG 3.49Å; I1700-Q1704 PolarHBondContact O-N 3.45Å; Q1704-Q1706 VanDerWaalsContact C-N 3.31Å; Q1704-Q1706 PolarHBondContact O-N 2.88Å; Q1704-V1707 CarbonylContact O-C 3.6Å; Q1704-V1707 PolarHBondContact O-N 2.99Å; Q1704-D1708 WeakPolarHBondContact O-CB 3.5Å; Q1704-D1708 PolarHBondContact O-N 2.9Å
1705N78.1Confident77.8Confident90 Ų90111.1 Ų111.148%0.48151%0.507SS..Hα-helixtrans-59.5-39.1174.8-74-7000112.1R1701 Q1702 D1708 E1709R1701-N1705 VanDerWaalsContact O-CB 3.3Å; R1701-N1705 WeakPolarHBondContact O-CB 3.2Å; R1701-N1705 PolarHBondContact O-N 2.71Å; R1701-N1705 PolarHBondContact O-OD1 2.96Å; Q1702-N1705 PolarHBondContact O-N 2.94Å; N1705-D1708 CarbonylContact O-C 3.59Å; N1705-D1708 PolarHBondContact O-N 3.01Å; N1705-E1709 WeakPolarHBondContact O-CB 3.34Å; N1705-E1709 WeakPolarHBondContact O-CG 3.33Å; N1705-E1709 PolarHBondContact O-N 2.94Å
1706Q77.5Confident77.4Confident115 Ų115106.4 Ų106.454%0.53749%0.493SS..Hα-helixtrans-71.4-34.3176.1-80.4-178.7-16.100112.7Q1702 L1703 Q1704 E1709 E1710Q1702-Q1706 WeakPolarHBondContact O-CB 3.43Å; Q1702-Q1706 WeakPolarHBondContact O-CG 3.22Å; Q1702-Q1706 PolarHBondContact O-N 2.93Å; L1703-Q1706 PolarHBondContact O-N 3.35Å; Q1704-Q1706 VanDerWaalsContact C-N 3.31Å; Q1704-Q1706 PolarHBondContact O-N 2.88Å; Q1706-E1709 PolarHBondContact O-N 3.42Å; Q1706-E1710 VanDerWaalsContact O-CB 3.31Å; Q1706-E1710 WeakPolarHBondContact O-CB 3.19Å; Q1706-E1710 PolarHBondContact O-N 3.03Å
1707V78.2Confident77.2Confident80 Ų80105.5 Ų105.549%0.48550%0.496SS..Hα-helixtrans-74.6-29173.9164.60000111.1L1703 Q1704 Q1711L1703-V1707 VanDerWaalsContact O-CB 3.26Å; L1703-V1707 WeakPolarHBondContact O-CB 3.46Å; L1703-V1707 VanDerWaalsContact O-CG2 3.24Å; L1703-V1707 WeakPolarHBondContact O-CG2 3.45Å; L1703-V1707 PolarHBondContact O-N 3.23Å; Q1704-V1707 CarbonylContact O-C 3.6Å; Q1704-V1707 PolarHBondContact O-N 2.99Å; V1707-Q1711 VanDerWaalsContact CG1-NE2 3.34Å; V1707-Q1711 VanDerWaalsContact O-CB 3.23Å; V1707-Q1711 WeakPolarHBondContact O-CB 3.47Å; V1707-Q1711 WeakPolarHBondContact O-CG 3.5Å; V1707-Q1711 PolarHBondContact O-N 3.03Å; V1707-Q1711 PolarHBondContact O-NE2 3.07Å
1708D77.4Confident77Confident73 Ų73106.7 Ų106.739%0.3950%0.495SS..Hα-helixtrans-78.5-31.1170.5-76.2-7.3000111.8Q1704 N1705 R1712Q1704-D1708 WeakPolarHBondContact O-CB 3.5Å; Q1704-D1708 PolarHBondContact O-N 2.9Å; N1705-D1708 CarbonylContact O-C 3.59Å; N1705-D1708 PolarHBondContact O-N 3.01Å; D1708-R1712 VanDerWaalsContact O-CB 3.24Å; D1708-R1712 WeakPolarHBondContact O-CB 3.35Å; D1708-R1712 WeakPolarHBondContact O-CG 3.48Å; D1708-R1712 PolarHBondContact O-N 2.82Å
1709E76.5Confident76.7Confident111 Ų111108.1 Ų108.152%0.51950%0.502SS..Hα-helixtrans-74.1-36.2168.9-83.1-17314600111.8N1705 Q1706 R1712 N1713N1705-E1709 WeakPolarHBondContact O-CB 3.34Å; N1705-E1709 WeakPolarHBondContact O-CG 3.33Å; N1705-E1709 PolarHBondContact O-N 2.94Å; Q1706-E1709 PolarHBondContact O-N 3.42Å; E1709-R1712 PolarHBondContact O-N 3.39Å; E1709-N1713 WeakPolarHBondContact O-CA 3.14Å; E1709-N1713 WeakPolarHBondContact O-CB 3.39Å; E1709-N1713 PolarHBondContact O-N 2.94Å; E1709-N1713 PolarHBondContact O-ND2 2.88Å; E1709-N1713 VanDerWaalsContact O-ND2 3.1Å
1710E73.9Confident76.3Confident107 Ų107110.1 Ų110.150%0.551%0.505SS..Hα-helixtrans-68.7-36.2169.6-95.4-72.7136.700111.2Q1706 R1714Q1706-E1710 VanDerWaalsContact O-CB 3.31Å; Q1706-E1710 WeakPolarHBondContact O-CB 3.19Å; Q1706-E1710 PolarHBondContact O-N 3.03Å; E1710-R1714 WeakPolarHBondContact O-CB 3.42Å; E1710-R1714 VanDerWaalsContact O-CG 3.25Å; E1710-R1714 WeakPolarHBondContact O-CG 3.36Å; E1710-R1714 PolarHBondContact O-N 2.78Å; E1710-R1714 IonicContact OE2-NE 2.78Å
1711Q75.9Confident76.1Confident61 Ų61109 Ų10929%0.28550%0.504SS..Hα-helixtrans-72.2-36.7172.5-78.7173.2102.300112.2V1707 N1715V1707-Q1711 VanDerWaalsContact CG1-NE2 3.34Å; V1707-Q1711 VanDerWaalsContact O-CB 3.23Å; V1707-Q1711 WeakPolarHBondContact O-CB 3.47Å; V1707-Q1711 WeakPolarHBondContact O-CG 3.5Å; V1707-Q1711 PolarHBondContact O-N 3.03Å; V1707-Q1711 PolarHBondContact O-NE2 3.07Å; Q1711-N1715 WeakPolarHBondContact O-CB 3.38Å; Q1711-N1715 PolarHBondContact O-N 3.4Å; Q1711-N1715 PolarHBondContact O-ND2 2.76Å
1712R76Confident75.8Confident157 Ų157105.2 Ų105.259%0.59250%0.496SS*.Hα-helixtrans-67.1-45.8170.2-77.9174.2-163.7155.210.4111.1D1708 E1709 R1714 N1715 E1716D1708-R1712 VanDerWaalsContact O-CB 3.24Å; D1708-R1712 WeakPolarHBondContact O-CB 3.35Å; D1708-R1712 WeakPolarHBondContact O-CG 3.48Å; D1708-R1712 PolarHBondContact O-N 2.82Å; E1709-R1712 PolarHBondContact O-N 3.39Å; R1712-R1714 VanDerWaalsContact C-N 3.32Å; R1712-R1714 PolarHBondContact O-N 2.96Å; R1712-N1715 CarbonylContact O-C 3.54Å; R1712-N1715 PolarHBondContact O-N 3.47Å; R1712-N1715 VanDerWaalsContact O-N 3.09Å; R1712-E1716 VanDerWaalsContact O-CB 3.3Å; R1712-E1716 WeakPolarHBondContact O-CB 3.08Å; R1712-E1716 WeakPolarHBondContact O-CG 3.42Å; R1712-E1716 PolarHBondContact O-N 2.88Å
1713N76.7Confident75.6Confident77 Ų77105.9 Ų105.941%0.41250%0.497SS..Hα-helixtrans-64.4-34.6175.6-73.6-31000111.5E1709 L1717E1709-N1713 WeakPolarHBondContact O-CA 3.14Å; E1709-N1713 WeakPolarHBondContact O-CB 3.39Å; E1709-N1713 PolarHBondContact O-N 2.94Å; E1709-N1713 PolarHBondContact O-ND2 2.88Å; E1709-N1713 VanDerWaalsContact O-ND2 3.1Å; N1713-L1717 WeakPolarHBondContact O-CA 3.12Å; N1713-L1717 WeakPolarHBondContact O-CB 2.93Å; N1713-L1717 WeakPolarHBondContact O-CD1 3.21Å; N1713-L1717 WeakPolarHBondContact O-CG 3.17Å; N1713-L1717 PolarHBondContact O-N 3.03Å
1714R75.7Confident75.4Confident171 Ų171106.1 Ų106.165%0.64550%0.498SS*.Hα-helixtrans-73.3-30.8170.5-80.6179.3170.5-173.3-4.8113.3E1710 R1712 R1718E1710-R1714 WeakPolarHBondContact O-CB 3.42Å; E1710-R1714 VanDerWaalsContact O-CG 3.25Å; E1710-R1714 WeakPolarHBondContact O-CG 3.36Å; E1710-R1714 PolarHBondContact O-N 2.78Å; E1710-R1714 IonicContact OE2-NE 2.78Å; R1712-R1714 VanDerWaalsContact C-N 3.32Å; R1712-R1714 PolarHBondContact O-N 2.96Å; R1714-R1718 VanDerWaalsContact O-CB 3.24Å; R1714-R1718 WeakPolarHBondContact O-CB 3.48Å; R1714-R1718 WeakPolarHBondContact O-CG 3.47Å; R1714-R1718 PolarHBondContact O-N 2.99Å
1715N76.2Confident75.1Confident86 Ų86107.2 Ų107.246%0.4650%0.504SS..Hα-helixtrans-80-26.9173.6-72.2-9.9000111.8Q1711 R1712 E1719Q1711-N1715 WeakPolarHBondContact O-CB 3.38Å; Q1711-N1715 PolarHBondContact O-N 3.4Å; Q1711-N1715 PolarHBondContact O-ND2 2.76Å; R1712-N1715 CarbonylContact O-C 3.54Å; R1712-N1715 PolarHBondContact O-N 3.47Å; R1712-N1715 VanDerWaalsContact O-N 3.09Å; N1715-E1719 WeakPolarHBondContact O-CA 3.24Å; N1715-E1719 WeakPolarHBondContact O-CB 3.42Å; N1715-E1719 WeakPolarHBondContact O-CG 3.41Å; N1715-E1719 PolarHBondContact O-N 2.88Å
1716E74.3Confident74.8Confident87 Ų87109 Ų10941%0.40751%0.507SS..Hα-helixtrans-81-28169.6-79.9-170.9-146.600111.2R1712 R1720R1712-E1716 VanDerWaalsContact O-CB 3.3Å; R1712-E1716 WeakPolarHBondContact O-CB 3.08Å; R1712-E1716 WeakPolarHBondContact O-CG 3.42Å; R1712-E1716 PolarHBondContact O-N 2.88Å; E1716-R1720 WeakPolarHBondContact O-CA 3.31Å; E1716-R1720 WeakPolarHBondContact O-CB 3.34Å; E1716-R1720 WeakPolarHBondContact O-CD 3.34Å; E1716-R1720 WeakPolarHBondContact O-CG 3.42Å; E1716-R1720 PolarHBondContact O-N 3.29Å
1717L73.8Confident74.5Confident103 Ų103109.5 Ų109.554%0.53950%0.504SS..Hα-helixtrans-80.2-31169.4-77.2167.1000111.3N1713 C1721N1713-L1717 WeakPolarHBondContact O-CA 3.12Å; N1713-L1717 WeakPolarHBondContact O-CB 2.93Å; N1713-L1717 WeakPolarHBondContact O-CD1 3.21Å; N1713-L1717 WeakPolarHBondContact O-CG 3.17Å; N1713-L1717 PolarHBondContact O-N 3.03Å; L1717-C1721 WeakPolarHBondContact O-CA 3.49Å; L1717-C1721 WeakPolarHBondContact O-CB 3.15Å; L1717-C1721 PolarHBondContact O-N 2.88Å; L1717-C1721 PolarHBondContact O-SG 3.43Å
1718R75.8Confident74.2Confident152 Ų152112.1 Ų112.157%0.57451%0.509SS*.Hα-helixtrans-69.4-52.1164.3-86.5-177166.6162-3.4110.4R1714 R1720 C1721 D1722R1714-R1718 VanDerWaalsContact O-CB 3.24Å; R1714-R1718 WeakPolarHBondContact O-CB 3.48Å; R1714-R1718 WeakPolarHBondContact O-CG 3.47Å; R1714-R1718 PolarHBondContact O-N 2.99Å; R1718-R1720 PolarHBondContact O-N 2.89Å; R1718-C1721 CarbonylContact O-C 3.31Å; R1718-C1721 WeakPolarHBondContact O-CA 3.18Å; R1718-C1721 PolarHBondContact O-N 2.93Å; R1718-D1722 VanDerWaalsContact O-CB 3.25Å; R1718-D1722 WeakPolarHBondContact O-CB 3.43Å; R1718-D1722 PolarHBondContact O-N 3.19Å; R1718-D1722 VanDerWaalsContact O-OD1 3.08Å
1719E73.1Confident73.9Confident137 Ų137114.9 Ų114.964%0.6452%0.52SS*.Hα-helixtrans-60.9-30.7174.9-77.1178-168.300111.9N1715 F1723N1715-E1719 WeakPolarHBondContact O-CA 3.24Å; N1715-E1719 WeakPolarHBondContact O-CB 3.42Å; N1715-E1719 WeakPolarHBondContact O-CG 3.41Å; N1715-E1719 PolarHBondContact O-N 2.88Å; E1719-F1723 VanDerWaalsContact O-CA 3.31Å; E1719-F1723 WeakPolarHBondContact O-CA 3.46Å; E1719-F1723 WeakPolarHBondContact O-CB 3.14Å; E1719-F1723 PolarHBondContact O-N 3.11Å
1720R71.7Confident73.5Confident147 Ų147112.7 Ų112.756%0.55551%0.514SS*.Hα-helixtrans-76.5-30168-78.6170.8173.1150.44113.5E1716 R1718 L1724E1716-R1720 WeakPolarHBondContact O-CA 3.31Å; E1716-R1720 WeakPolarHBondContact O-CB 3.34Å; E1716-R1720 WeakPolarHBondContact O-CD 3.34Å; E1716-R1720 WeakPolarHBondContact O-CG 3.42Å; E1716-R1720 PolarHBondContact O-N 3.29Å; R1718-R1720 PolarHBondContact O-N 2.89Å; R1720-L1724 WeakPolarHBondContact O-CA 3.34Å; R1720-L1724 WeakPolarHBondContact O-CB 3.12Å; R1720-L1724 WeakPolarHBondContact O-CD1 3.46Å; R1720-L1724 WeakPolarHBondContact O-CG 3.49Å; R1720-L1724 PolarHBondContact O-N 2.91Å
1721C74.1Confident73.1Confident73 Ų73111.6 Ų111.649%0.49351%0.511SS..Hα-helixtrans-74-51.2172.4-83.10000110.2L1717 R1718 F1723 L1724 E1725L1717-C1721 WeakPolarHBondContact O-CA 3.49Å; L1717-C1721 WeakPolarHBondContact O-CB 3.15Å; L1717-C1721 PolarHBondContact O-N 2.88Å; L1717-C1721 PolarHBondContact O-SG 3.43Å; R1718-C1721 CarbonylContact O-C 3.31Å; R1718-C1721 WeakPolarHBondContact O-CA 3.18Å; R1718-C1721 PolarHBondContact O-N 2.93Å; C1721-F1723 VanDerWaalsContact C-N 3.29Å; C1721-F1723 PolarHBondContact O-N 3.44Å; C1721-L1724 CarbonylContact O-C 3.57Å; C1721-L1724 WeakPolarHBondContact O-CA 3.14Å; C1721-L1724 PolarHBondContact O-N 3.48Å; C1721-E1725 VanDerWaalsContact O-CB 3.31Å; C1721-E1725 WeakPolarHBondContact O-CB 3.31Å; C1721-E1725 WeakPolarHBondContact O-CG 3.31Å; C1721-E1725 PolarHBondContact O-N 3.08Å
1722D73.8Confident72.8Confident76 Ų76111.9 Ų111.941%0.40651%0.514SS..Hα-helixtrans-56.1-37.2168.1-68.931.7000112.2R1718 K1726R1718-D1722 VanDerWaalsContact O-CB 3.25Å; R1718-D1722 WeakPolarHBondContact O-CB 3.43Å; R1718-D1722 PolarHBondContact O-N 3.19Å; R1718-D1722 VanDerWaalsContact O-OD1 3.08Å; D1722-K1726 WeakPolarHBondContact O-CA 3.28Å; D1722-K1726 WeakPolarHBondContact O-CB 3.23Å; D1722-K1726 WeakPolarHBondContact O-CD 3.5Å; D1722-K1726 WeakPolarHBondContact O-CG 3.33Å; D1722-K1726 PolarHBondContact O-N 3.13Å
1723F73.7Confident72.4Confident119 Ų119106.6 Ų106.652%0.52250%0.504SS..Hα-helixtrans-78.8-27.2173178.9-97.8000111.8E1719 C1721 R1727E1719-F1723 VanDerWaalsContact O-CA 3.31Å; E1719-F1723 WeakPolarHBondContact O-CA 3.46Å; E1719-F1723 WeakPolarHBondContact O-CB 3.14Å; E1719-F1723 PolarHBondContact O-N 3.11Å; C1721-F1723 VanDerWaalsContact C-N 3.29Å; C1721-F1723 PolarHBondContact O-N 3.44Å; F1723-R1727 VanDerWaalsContact O-CA 3.3Å; F1723-R1727 WeakPolarHBondContact O-CA 3.24Å; F1723-R1727 WeakPolarHBondContact O-CB 3.15Å; F1723-R1727 PolarHBondContact O-N 3.36Å
1724L73.2Confident71.5Confident106 Ų106106.7 Ų106.756%0.55550%0.502SS*.Hα-helixtrans-81.8-22.6171.5-77.2167.1000112.1R1720 C1721 R1727 F1728R1720-L1724 WeakPolarHBondContact O-CA 3.34Å; R1720-L1724 WeakPolarHBondContact O-CB 3.12Å; R1720-L1724 WeakPolarHBondContact O-CD1 3.46Å; R1720-L1724 WeakPolarHBondContact O-CG 3.49Å; R1720-L1724 PolarHBondContact O-N 2.91Å; C1721-L1724 CarbonylContact O-C 3.57Å; C1721-L1724 WeakPolarHBondContact O-CA 3.14Å; C1721-L1724 PolarHBondContact O-N 3.48Å; L1724-R1727 CarbonylContact O-C 3.58Å; L1724-F1728 WeakPolarHBondContact O-CA 3.27Å; L1724-F1728 WeakPolarHBondContact O-CB 3.18Å; L1724-F1728 PolarHBondContact O-N 3.16Å
1725E71.4Confident70.7Confident124 Ų124104.7 Ų104.758%0.57950%0.498SS*.Hα-helixtrans-84.3-44.4172.5-79.5-159.4149.100109.9C1721 F1728 Q1729C1721-E1725 VanDerWaalsContact O-CB 3.31Å; C1721-E1725 WeakPolarHBondContact O-CB 3.31Å; C1721-E1725 WeakPolarHBondContact O-CG 3.31Å; C1721-E1725 PolarHBondContact O-N 3.08Å; E1725-F1728 CarbonylContact O-C 3.45Å; E1725-F1728 PolarHBondContact O-N 3.02Å; E1725-F1728 VanDerWaalsContact O-N 3.15Å; E1725-Q1729 WeakPolarHBondContact O-CB 3.14Å; E1725-Q1729 VanDerWaalsContact O-CG 3.31Å; E1725-Q1729 WeakPolarHBondContact O-CG 3.33Å; E1725-Q1729 PolarHBondContact O-N 3.25Å
1726K71.6Confident70Confident127 Ų127107.3 Ų107.355%0.55251%0.507SS*.Hα-helixtrans-57.3-54.7164.5-74.6163.3-173.2152.40108.4D1722 F1728 Q1729 T1730D1722-K1726 WeakPolarHBondContact O-CA 3.28Å; D1722-K1726 WeakPolarHBondContact O-CB 3.23Å; D1722-K1726 WeakPolarHBondContact O-CD 3.5Å; D1722-K1726 WeakPolarHBondContact O-CG 3.33Å; D1722-K1726 PolarHBondContact O-N 3.13Å; K1726-F1728 PolarHBondContact O-N 2.91Å; K1726-Q1729 CarbonylContact O-C 3.57Å; K1726-Q1729 WeakPolarHBondContact O-CA 3.46Å; K1726-Q1729 WeakPolarHBondContact O-CB 3.33Å; K1726-Q1729 PolarHBondContact O-N 3.37Å; K1726-T1730 WeakPolarHBondContact O-CB 3.25Å; K1726-T1730 PolarHBondContact O-N 3.44Å; K1726-T1730 PolarHBondContact O-OG1 3.04Å
1727R71.4Confident69.2Low126 Ų126109.5 Ų109.548%0.47552%0.518SS..Hα-helixtrans-67.7-10175.3-168.4177.1176-162.6-0114F1723 L1724 L1731F1723-R1727 VanDerWaalsContact O-CA 3.3Å; F1723-R1727 WeakPolarHBondContact O-CA 3.24Å; F1723-R1727 WeakPolarHBondContact O-CB 3.15Å; F1723-R1727 PolarHBondContact O-N 3.36Å; L1724-R1727 CarbonylContact O-C 3.58Å; R1727-L1731 HydrophobicContact CG-CD1 3.93Å; R1727-L1731 HydrophobicContact CG-CG 4.07Å; R1727-L1731 WeakPolarHBondContact O-CA 3.44Å; R1727-L1731 WeakPolarHBondContact O-CB 3.45Å; R1727-L1731 WeakPolarHBondContact O-CD1 3.13Å; R1727-L1731 WeakPolarHBondContact O-CG 3.5Å; R1727-L1731 PolarHBondContact O-N 3.36Å
1728F71.6Confident68.3Low134 Ų134108.3 Ų108.359%0.58851%0.51SS*.Hα-helixtrans-89.1-32.6167.9-177.7-101.4000110.8L1724 E1725 K1726 L1731 L1732L1724-F1728 WeakPolarHBondContact O-CA 3.27Å; L1724-F1728 WeakPolarHBondContact O-CB 3.18Å; L1724-F1728 PolarHBondContact O-N 3.16Å; E1725-F1728 CarbonylContact O-C 3.45Å; E1725-F1728 PolarHBondContact O-N 3.02Å; E1725-F1728 VanDerWaalsContact O-N 3.15Å; K1726-F1728 PolarHBondContact O-N 2.91Å; F1728-L1731 CarbonylContact O-C 3.57Å; F1728-L1731 PolarHBondContact O-N 2.92Å; F1728-L1732 HydrophobicContact CD1-CD1 3.84Å; F1728-L1732 HydrophobicContact CE1-CD1 3.66Å; F1728-L1732 HydrophobicContact CE1-CG 4.42Å; F1728-L1732 HydrophobicContact CZ-CD1 4.3Å; F1728-L1732 VanDerWaalsContact O-CB 3.25Å; F1728-L1732 WeakPolarHBondContact O-CB 3.47Å; F1728-L1732 WeakPolarHBondContact O-CD1 3.31Å; F1728-L1732 WeakPolarHBondContact O-CG 3.42Å; F1728-L1732 PolarHBondContact O-N 3.4Å
1729Q71.3Confident67.4Low132 Ų132104.9 Ų104.962%0.61751%0.506SS*.Hα-helixtrans-70.9-33165.8-68.3174.326.500111.3E1725 K1726 L1732 A1733E1725-Q1729 WeakPolarHBondContact O-CB 3.14Å; E1725-Q1729 VanDerWaalsContact O-CG 3.31Å; E1725-Q1729 WeakPolarHBondContact O-CG 3.33Å; E1725-Q1729 PolarHBondContact O-N 3.25Å; K1726-Q1729 CarbonylContact O-C 3.57Å; K1726-Q1729 WeakPolarHBondContact O-CA 3.46Å; K1726-Q1729 WeakPolarHBondContact O-CB 3.33Å; K1726-Q1729 PolarHBondContact O-N 3.37Å; Q1729-L1732 PolarHBondContact O-N 2.87Å; Q1729-A1733 WeakPolarHBondContact O-CB 3.31Å; Q1729-A1733 PolarHBondContact O-N 2.87Å
1730T68.4Low66.7Low64 Ų64102.1 Ų102.139%0.39350%0.499SS..Hα-helixtrans-82.7-22.8172.2-39.30000110.7K1726 L1732 E1734K1726-T1730 WeakPolarHBondContact O-CB 3.25Å; K1726-T1730 PolarHBondContact O-N 3.44Å; K1726-T1730 PolarHBondContact O-OG1 3.04Å; T1730-L1732 VanDerWaalsContact C-N 3.31Å; T1730-E1734 HydrophobicContact CG2-CG 4.09Å; T1730-E1734 WeakPolarHBondContact O-CA 3.25Å; T1730-E1734 WeakPolarHBondContact O-CB 3.05Å; T1730-E1734 WeakPolarHBondContact O-CG 3.4Å; T1730-E1734 PolarHBondContact O-N 3.32Å
1731L64.7Low65.9Low85 Ų8598 Ų9845%0.44549%0.49SS..Hα-helixtrans-90.46.8162.9-72.8166.6000112.3R1727 F1728 E1734 K1735R1727-L1731 HydrophobicContact CG-CD1 3.93Å; R1727-L1731 HydrophobicContact CG-CG 4.07Å; R1727-L1731 WeakPolarHBondContact O-CA 3.44Å; R1727-L1731 WeakPolarHBondContact O-CB 3.45Å; R1727-L1731 WeakPolarHBondContact O-CD1 3.13Å; R1727-L1731 WeakPolarHBondContact O-CG 3.5Å; R1727-L1731 PolarHBondContact O-N 3.36Å; F1728-L1731 CarbonylContact O-C 3.57Å; F1728-L1731 PolarHBondContact O-N 2.92Å; L1731-E1734 HydrophobicContact CD2-CB 4.48Å; L1731-E1734 WeakPolarHBondContact CD2-OE2 3.41Å; L1731-K1735 WeakPolarHBondContact O-CB 3.47Å; L1731-K1735 PolarHBondContact O-N 2.91Å
1732L69.6Low65Low67 Ų6797 Ų9735%0.35148%0.482SS..Hα-helixtrans-98.9-47162.5-81.3165.5000108.8F1728 Q1729 T1730 K1735 E1736F1728-L1732 HydrophobicContact CD1-CD1 3.84Å; F1728-L1732 HydrophobicContact CE1-CD1 3.66Å; F1728-L1732 HydrophobicContact CE1-CG 4.42Å; F1728-L1732 HydrophobicContact CZ-CD1 4.3Å; F1728-L1732 VanDerWaalsContact O-CB 3.25Å; F1728-L1732 WeakPolarHBondContact O-CB 3.47Å; F1728-L1732 WeakPolarHBondContact O-CD1 3.31Å; F1728-L1732 WeakPolarHBondContact O-CG 3.42Å; F1728-L1732 PolarHBondContact O-N 3.4Å; Q1729-L1732 PolarHBondContact O-N 2.87Å; T1730-L1732 VanDerWaalsContact C-N 3.31Å; L1732-K1735 HydrophobicContact CD2-CD 4.39Å; L1732-K1735 CarbonylContact O-C 3.59Å; L1732-K1735 WeakPolarHBondContact O-CA 3.48Å; L1732-K1735 WeakPolarHBondContact O-CB 3.39Å; L1732-K1735 PolarHBondContact O-N 2.67Å; L1732-E1736 WeakPolarHBondContact O-CG 3.42Å; L1732-E1736 PolarHBondContact O-N 3.17Å
1733A67.4Low64.1Low46 Ų46100 Ų10038%0.3849%0.494SS..Hα-helixtrans-62.7-49.5168.300000111.6Q1729 K1735 E1736 E1737Q1729-A1733 WeakPolarHBondContact O-CB 3.31Å; Q1729-A1733 PolarHBondContact O-N 2.87Å; A1733-K1735 PolarHBondContact O-N 3.32Å; A1733-E1736 CarbonylContact O-C 3.54Å; A1733-E1736 WeakPolarHBondContact O-CA 3.32Å; A1733-E1736 WeakPolarHBondContact O-CB 3.32Å; A1733-E1736 PolarHBondContact O-N 2.73Å; A1733-E1737 PolarHBondContact O-N 2.84Å
1734E58.6Low63.3Low78 Ų7899.5 Ų99.536%0.36450%0.496SS..Hα-helixtrans-69.8-7.4166-63.2167.5-178.800112T1730 L1731 M1738T1730-E1734 HydrophobicContact CG2-CG 4.09Å; T1730-E1734 WeakPolarHBondContact O-CA 3.25Å; T1730-E1734 WeakPolarHBondContact O-CB 3.05Å; T1730-E1734 WeakPolarHBondContact O-CG 3.4Å; T1730-E1734 PolarHBondContact O-N 3.32Å; L1731-E1734 HydrophobicContact CD2-CB 4.48Å; L1731-E1734 WeakPolarHBondContact CD2-OE2 3.41Å; E1734-M1738 HydrophobicContact CB-CG 4.06Å; E1734-M1738 WeakPolarHBondContact O-CA 3.22Å; E1734-M1738 WeakPolarHBondContact O-CB 3.02Å; E1734-M1738 WeakPolarHBondContact O-CG 3.38Å; E1734-M1738 PolarHBondContact O-N 2.91Å
1735K59.2Low62.3Low130 Ų130100.3 Ų100.357%0.56550%0.497SS*.Hα-helixtrans-83.7-17.7162.4171.8-176.6169.2-155.50111.4L1731 L1732 A1733 T1739L1731-K1735 WeakPolarHBondContact O-CB 3.47Å; L1731-K1735 PolarHBondContact O-N 2.91Å; L1732-K1735 HydrophobicContact CD2-CD 4.39Å; L1732-K1735 CarbonylContact O-C 3.59Å; L1732-K1735 WeakPolarHBondContact O-CA 3.48Å; L1732-K1735 WeakPolarHBondContact O-CB 3.39Å; L1732-K1735 PolarHBondContact O-N 2.67Å; A1733-K1735 PolarHBondContact O-N 3.32Å; K1735-T1739 WeakPolarHBondContact O-CB 3.43Å; K1735-T1739 VanDerWaalsContact O-CG2 3.23Å; K1735-T1739 WeakPolarHBondContact O-CG2 3.33Å; K1735-T1739 PolarHBondContact O-N 3.49Å; K1735-T1739 PolarHBondContact O-OG1 2.85Å
1736E60.9Low61.4Low140 Ų140100.1 Ų100.165%0.65450%0.496SS*.Hα-helixtrans-91.4-39.7173-68.2169.117600110.5L1732 A1733 T1739 T1740L1732-E1736 WeakPolarHBondContact O-CG 3.42Å; L1732-E1736 PolarHBondContact O-N 3.17Å; A1733-E1736 CarbonylContact O-C 3.54Å; A1733-E1736 WeakPolarHBondContact O-CA 3.32Å; A1733-E1736 WeakPolarHBondContact O-CB 3.32Å; A1733-E1736 PolarHBondContact O-N 2.73Å; E1736-T1739 WeakPolarHBondContact CA-OG1 3.48Å; E1736-T1739 PolarHBondContact O-OG1 2.85Å; E1736-T1740 PolarHBondContact O-N 3.46Å; E1736-T1740 PolarHBondContact O-OG1 2.7Å
1737E57.9Low60.7Low134 Ų134104 Ų10463%0.62651%0.507SS*.Hα-helixtrans-75.2-25.3167.2-73.5-171.8133.800113.1A1733 T1740 T1741A1733-E1737 PolarHBondContact O-N 2.84Å; E1737-T1740 VanDerWaalsContact CA-OG1 3.29Å; E1737-T1740 WeakPolarHBondContact CA-OG1 3.37Å; E1737-T1740 PolarHBondContact O-OG1 3Å; E1737-T1740 VanDerWaalsContact O-OG1 3.04Å; E1737-T1741 WeakPolarHBondContact O-CB 3.5Å; E1737-T1741 WeakPolarHBondContact O-CG2 3.47Å; E1737-T1741 PolarHBondContact O-N 3.38Å; E1737-T1741 PolarHBondContact O-OG1 3.16Å
1738M54Low59.8Low77 Ų77104.2 Ų104.238%0.37952%0.517SS..Hα-helixtrans-100.90.7169.1-47.5-108.7-66.100114.6E1734 T1741 V1742E1734-M1738 HydrophobicContact CB-CG 4.06Å; E1734-M1738 WeakPolarHBondContact O-CA 3.22Å; E1734-M1738 WeakPolarHBondContact O-CB 3.02Å; E1734-M1738 WeakPolarHBondContact O-CG 3.38Å; E1734-M1738 PolarHBondContact O-N 2.91Å; M1738-T1741 VanDerWaalsContact CA-OG1 3.32Å; M1738-T1741 WeakPolarHBondContact CA-OG1 3.46Å; M1738-T1741 PolarHBondContact SD-OG1 2.66Å; M1738-V1742 HydrophobicContact CB-CG2 4.07Å; M1738-V1742 HydrophobicContact CE-CG2 4.39Å; M1738-V1742 WeakPolarHBondContact O-CA 3.02Å; M1738-V1742 WeakPolarHBondContact O-CB 3.28Å; M1738-V1742 WeakPolarHBondContact O-CG2 3.3Å; M1738-V1742 PolarHBondContact O-N 3.03Å
1739T58.5Low58.9Low80 Ų80108 Ų10849%0.49153%0.528SS..Hα-helixtrans-69.9-47.2149.838.40000108.3K1735 E1736 T1741 V1742 E1743K1735-T1739 WeakPolarHBondContact O-CB 3.43Å; K1735-T1739 VanDerWaalsContact O-CG2 3.23Å; K1735-T1739 WeakPolarHBondContact O-CG2 3.33Å; K1735-T1739 PolarHBondContact O-N 3.49Å; K1735-T1739 PolarHBondContact O-OG1 2.85Å; E1736-T1739 WeakPolarHBondContact CA-OG1 3.48Å; E1736-T1739 PolarHBondContact O-OG1 2.85Å; T1739-T1741 VanDerWaalsContact C-N 3.3Å; T1739-T1741 PolarHBondContact O-N 2.73Å; T1739-V1742 PolarHBondContact O-N 2.87Å; T1739-E1743 WeakPolarHBondContact O-CG 3.32Å; T1739-E1743 PolarHBondContact O-N 3.33Å; T1739-E1743 VanDerWaalsContact O-N 3.16Å
1740T57.2Low58.2Low80 Ų80110.8 Ų110.849%0.49153%0.533SS..Hα-helixtrans-68.8-19177.150.80000114.8E1736 E1737 N1744E1736-T1740 PolarHBondContact O-N 3.46Å; E1736-T1740 PolarHBondContact O-OG1 2.7Å; E1737-T1740 VanDerWaalsContact CA-OG1 3.29Å; E1737-T1740 WeakPolarHBondContact CA-OG1 3.37Å; E1737-T1740 PolarHBondContact O-OG1 3Å; E1737-T1740 VanDerWaalsContact O-OG1 3.04Å; T1740-N1744 PolarHBondContact O-ND2 2.8Å
1741T56.1Low57.6Low59 Ų59114 Ų11436%0.36255%0.547SS..Hα-helixtrans-108.7-14.5170.559.20000116.3E1737 M1738 T1739 N1744 Q1745E1737-T1741 WeakPolarHBondContact O-CB 3.5Å; E1737-T1741 WeakPolarHBondContact O-CG2 3.47Å; E1737-T1741 PolarHBondContact O-N 3.38Å; E1737-T1741 PolarHBondContact O-OG1 3.16Å; M1738-T1741 VanDerWaalsContact CA-OG1 3.32Å; M1738-T1741 WeakPolarHBondContact CA-OG1 3.46Å; M1738-T1741 PolarHBondContact SD-OG1 2.66Å; T1739-T1741 VanDerWaalsContact C-N 3.3Å; T1739-T1741 PolarHBondContact O-N 2.73Å; T1741-N1744 CarbonylContact O-C 3.58Å; T1741-N1744 WeakPolarHBondContact O-CA 3.44Å; T1741-N1744 WeakPolarHBondContact O-CB 3.5Å; T1741-N1744 PolarHBondContact O-N 3.42Å; T1741-N1744 VanDerWaalsContact O-N 3.08Å; T1741-Q1745 PolarHBondContact O-N 2.98Å
1742V54.7Low57.1Low54 Ų54116.1 Ų116.133%0.32756%0.558SS.*Hα-helixtrans-72.4-31164.4170.40000111.1M1738 T1739 N1744 Q1745 E1746M1738-V1742 HydrophobicContact CB-CG2 4.07Å; M1738-V1742 HydrophobicContact CE-CG2 4.39Å; M1738-V1742 WeakPolarHBondContact O-CA 3.02Å; M1738-V1742 WeakPolarHBondContact O-CB 3.28Å; M1738-V1742 WeakPolarHBondContact O-CG2 3.3Å; M1738-V1742 PolarHBondContact O-N 3.03Å; T1739-V1742 PolarHBondContact O-N 2.87Å; V1742-N1744 PolarHBondContact O-N 3.03Å; V1742-Q1745 PolarHBondContact O-N 2.94Å; V1742-Q1745 VanDerWaalsContact O-N 3.08Å; V1742-E1746 HydrophobicContact CG1-CG 3.65Å; V1742-E1746 WeakPolarHBondContact O-CB 3.41Å; V1742-E1746 PolarHBondContact O-N 2.9Å
1743E55.9Low56.4Low139 Ų139117.7 Ų117.765%0.6557%0.567SS**Hα-helixtrans-52.5-25.4164-78.5-177.5163.900112.7T1739T1739-E1743 WeakPolarHBondContact O-CG 3.32Å; T1739-E1743 PolarHBondContact O-N 3.33Å; T1739-E1743 VanDerWaalsContact O-N 3.16Å
1744N55.9Low56Low108 Ų108123.4 Ų123.458%0.57859%0.586SS**Hα-helixtrans-95.5-33.5174.8-72.3-74.2000113.6T1740 T1741 V1742T1740-N1744 PolarHBondContact O-ND2 2.8Å; T1741-N1744 CarbonylContact O-C 3.58Å; T1741-N1744 WeakPolarHBondContact O-CA 3.44Å; T1741-N1744 WeakPolarHBondContact O-CB 3.5Å; T1741-N1744 PolarHBondContact O-N 3.42Å; T1741-N1744 VanDerWaalsContact O-N 3.08Å; V1742-N1744 PolarHBondContact O-N 3.03Å
1745Q52.3Low55.8Low122 Ų122126.8 Ų126.857%0.5760%0.602SS**Hα-helixtrans-89.4-19.7-178.6-70.9-156.74.300116.1T1741 V1742 R1747 L1748T1741-Q1745 PolarHBondContact O-N 2.98Å; V1742-Q1745 PolarHBondContact O-N 2.94Å; V1742-Q1745 VanDerWaalsContact O-N 3.08Å; Q1745-R1747 PolarHBondContact O-N 2.93Å; Q1745-L1748 PolarHBondContact O-N 2.83Å
1746E52.8Low55.8Low120 Ų120124.2 Ų124.256%0.56160%0.597SS**THydrogen-bonded Turntrans-57.2-19.9176.7-96-176.9168.600113.9V1742V1742-E1746 HydrophobicContact CG1-CG 3.65Å; V1742-E1746 WeakPolarHBondContact O-CB 3.41Å; V1742-E1746 PolarHBondContact O-N 2.9Å
1747R56.8Low56Low208 Ų208122.1 Ų122.179%0.78559%0.59SS**THydrogen-bonded Turntrans-72.9-22.9177.6-65.3-178178-178.60.4114Q1745Q1745-R1747 PolarHBondContact O-N 2.93Å
1748L53.2Low56.1Low131 Ų131123.2 Ų123.269%0.68660%0.595SS**THydrogen-bonded Turntrans-100.6-27.2-174.7-83.1163.6000114.2Q1745 R1750Q1745-L1748 PolarHBondContact O-N 2.83Å; L1748-R1750 PolarHBondContact O-N 3.28Å; L1748-R1750 VanDerWaalsContact O-N 3.17Å
1749R51.3Low56.3Low215 Ų215124.6 Ų124.681%0.81160%0.603SS**G310 helixtrans-67.9-18.3-172-157.6173.6-175.8-175.11.2114.7L1751R1749-L1751 PolarHBondContact O-N 3.16Å; R1749-L1751 VanDerWaalsContact O-N 3.15Å
1750R56.6Low56.5Low190 Ų190126 Ų12672%0.71760%0.603SS**G310 helixtrans-72.83.8-177.4-58.3-179.3-174.3176.30.4115.2L1748 D1753L1748-R1750 PolarHBondContact O-N 3.28Å; L1748-R1750 VanDerWaalsContact O-N 3.17Å; R1750-D1753 WeakPolarHBondContact CA-OD2 3.48Å
1751L56.2Low56.7Low132 Ų132129.6 Ų129.669%0.69161%0.614SS**G310 helixtrans-94-17.8-178.9-111.6159.8000113.5R1749 D1753R1749-L1751 PolarHBondContact O-N 3.16Å; R1749-L1751 VanDerWaalsContact O-N 3.15Å; L1751-D1753 VanDerWaalsContact C-N 3.34Å
1752N54.5Low57.1Low128 Ų128132.4 Ų132.468%0.68462%0.623SS**SBendtrans-85.8-1.8178.6-72.930.5000113.6Q1754N1752-Q1754 PolarHBondContact O-N 2.84Å; N1752-Q1754 VanDerWaalsContact O-N 3.15Å
1753D55.6Low57.4Low100 Ų100134 Ų13454%0.53563%0.63SS.*THydrogen-bonded Turntrans-72.5-3.7-173.1-70.1-48.7000114.7R1750 L1751R1750-D1753 WeakPolarHBondContact CA-OD2 3.48Å; L1751-D1753 VanDerWaalsContact C-N 3.34Å
1754Q58.3Low58Low166 Ų166132.6 Ų132.678%0.77663%0.626SS**THydrogen-bonded Turntrans-85.7-35.6-175.1-70.9-168.3-27.700114.9N1752 V1756N1752-Q1754 PolarHBondContact O-N 2.84Å; N1752-Q1754 VanDerWaalsContact O-N 3.15Å; Q1754-V1756 VanDerWaalsContact C-N 3.3Å; Q1754-V1756 PolarHBondContact O-N 3.25Å
1755E54.2Low58.5Low150 Ų150135 Ų13570%0.70163%0.634SS**Hα-helixtrans-70-30179-62.9-176.3147.200112N1757 Q1758 L1759E1755-N1757 PolarHBondContact O-N 2.81Å; E1755-N1757 VanDerWaalsContact O-N 3.12Å; E1755-Q1758 PolarHBondContact O-N 2.79Å; E1755-L1759 WeakPolarHBondContact O-CG 3.47Å; E1755-L1759 PolarHBondContact O-N 2.84Å
1756V60.2Low59.2Low75 Ų75132.9 Ų132.946%0.45563%0.629SS.*Hα-helixtrans-65.5-17.8-171.7179.60000114Q1754 K1760Q1754-V1756 VanDerWaalsContact C-N 3.3Å; Q1754-V1756 PolarHBondContact O-N 3.25Å; V1756-K1760 WeakPolarHBondContact O-CE 3.05Å; V1756-K1760 WeakPolarHBondContact O-CG 3.27Å
1757N63.9Low60Low97 Ų97132 Ų13252%0.51963%0.625SS.*Hα-helixtrans-98.1-31.8-178.4-72.5-32.8000114.4E1755 L1759 K1760E1755-N1757 PolarHBondContact O-N 2.81Å; E1755-N1757 VanDerWaalsContact O-N 3.12Å; N1757-L1759 VanDerWaalsContact C-N 3.32Å; N1757-K1760 PolarHBondContact O-N 2.91Å; N1757-K1760 PolarHBondContact OD1-NZ 3.33Å
1758Q60Low60.7Low156 Ų156128.7 Ų128.773%0.72962%0.622SS**Hα-helixtrans-70.4-32.3172-73.2-175.5-21.300111.6E1755 K1760E1755-Q1758 PolarHBondContact O-N 2.79Å; Q1758-K1760 PolarHBondContact O-N 3.45Å
1759L57.9Low61.6Low106 Ų106127.9 Ų127.956%0.55562%0.618SS**Hα-helixtrans-65.3-13173-69.2170.7000114E1755 N1757 L1763E1755-L1759 WeakPolarHBondContact O-CG 3.47Å; E1755-L1759 PolarHBondContact O-N 2.84Å; N1757-L1759 VanDerWaalsContact C-N 3.32Å; L1759-L1763 WeakPolarHBondContact O-CB 3.37Å; L1759-L1763 PolarHBondContact O-N 3.44Å; L1759-L1763 VanDerWaalsContact O-N 3.1Å
1760K64.1Low62.3Low110 Ų110122.2 Ų122.248%0.47860%0.603SS.*Hα-helixtrans-84.2-40.1179.1-75.1171.3-171.5161.50113.7V1756 N1757 Q1758 Q1762 L1763 D1764V1756-K1760 WeakPolarHBondContact O-CE 3.05Å; V1756-K1760 WeakPolarHBondContact O-CG 3.27Å; N1757-K1760 PolarHBondContact O-N 2.91Å; N1757-K1760 PolarHBondContact OD1-NZ 3.33Å; Q1758-K1760 PolarHBondContact O-N 3.45Å; K1760-Q1762 VanDerWaalsContact C-N 3.27Å; K1760-Q1762 PolarHBondContact O-N 3.14Å; K1760-L1763 WeakPolarHBondContact O-CB 3.22Å; K1760-L1763 PolarHBondContact O-N 3.14Å; K1760-D1764 PolarHBondContact O-N 3.26Å
1761E61.3Low63.2Low156 Ų156118.1 Ų118.173%0.72960%0.596SS**Hα-helixtrans-66.4-36.9174-66.6-178.2143.400110.3L1763 D1764 E1765E1761-L1763 VanDerWaalsContact C-N 3.3Å; E1761-L1763 PolarHBondContact O-N 3.28Å; E1761-D1764 PolarHBondContact O-N 2.96Å; E1761-E1765 PolarHBondContact O-N 3.35Å
1762Q63.9Low64Low117 Ų117115 Ų11555%0.54759%0.585SS.*Hα-helixtrans-64.4-31.5169.3-67.9-174.5-19.200113K1760 V1766K1760-Q1762 VanDerWaalsContact C-N 3.27Å; K1760-Q1762 PolarHBondContact O-N 3.14Å; Q1762-V1766 WeakPolarHBondContact O-CB 3.32Å; Q1762-V1766 WeakPolarHBondContact O-CG2 3.32Å; Q1762-V1766 PolarHBondContact O-N 2.68Å
1763L61.5Low64.7Low89 Ų89112.4 Ų112.447%0.46657%0.574SS.*Hα-helixtrans-67.2-36.5178.8-173.963.4000112.3L1759 K1760 E1761 V1766 Q1767L1759-L1763 WeakPolarHBondContact O-CB 3.37Å; L1759-L1763 PolarHBondContact O-N 3.44Å; L1759-L1763 VanDerWaalsContact O-N 3.1Å; K1760-L1763 WeakPolarHBondContact O-CB 3.22Å; K1760-L1763 PolarHBondContact O-N 3.14Å; E1761-L1763 VanDerWaalsContact C-N 3.3Å; E1761-L1763 PolarHBondContact O-N 3.28Å; L1763-V1766 CarbonylContact O-C 3.28Å; L1763-V1766 PolarHBondContact O-N 3.39Å; L1763-Q1767 WeakPolarHBondContact O-CG 3.44Å; L1763-Q1767 PolarHBondContact O-N 3.4Å
1764D67.4Low65.6Low109 Ų109110.4 Ų110.458%0.58357%0.566SS**Hα-helixtrans-75.7-40.1-180-75.5-7.5000112K1760 E1761 V1766 Q1767 L1768K1760-D1764 PolarHBondContact O-N 3.26Å; E1761-D1764 PolarHBondContact O-N 2.96Å; D1764-V1766 VanDerWaalsContact C-N 3.34Å; D1764-Q1767 PolarHBondContact O-N 2.96Å; D1764-L1768 PolarHBondContact O-N 2.79Å
1765E67.4Low66.5Low157 Ų157107.5 Ų107.573%0.73456%0.559SS**Hα-helixtrans-62.6-41.7168.5-75.8-160.9136.900111.3E1761 Q1767 L1768 L1769E1761-E1765 PolarHBondContact O-N 3.35Å; E1765-Q1767 VanDerWaalsContact C-N 3.3Å; E1765-Q1767 PolarHBondContact O-N 2.95Å; E1765-L1768 PolarHBondContact O-N 3.24Å; E1765-L1769 WeakPolarHBondContact O-CB 3.5Å; E1765-L1769 PolarHBondContact O-N 2.92Å
1766V66Low67.4Low79 Ų79102.7 Ų102.748%0.47955%0.545SS..Hα-helixtrans-64.7-30.7173.81670000111.8Q1762 L1763 D1764 L1769 L1770Q1762-V1766 WeakPolarHBondContact O-CB 3.32Å; Q1762-V1766 WeakPolarHBondContact O-CG2 3.32Å; Q1762-V1766 PolarHBondContact O-N 2.68Å; L1763-V1766 CarbonylContact O-C 3.28Å; L1763-V1766 PolarHBondContact O-N 3.39Å; D1764-V1766 VanDerWaalsContact C-N 3.34Å; V1766-L1769 CarbonylContact O-C 3.58Å; V1766-L1769 PolarHBondContact O-N 2.92Å; V1766-L1770 WeakPolarHBondContact O-CA 3.49Å; V1766-L1770 WeakPolarHBondContact O-CB 3.41Å; V1766-L1770 PolarHBondContact O-N 3.5Å
1767Q70.6Confident68.1Low101 Ų101104.6 Ų104.647%0.47255%0.547SS..Hα-helixtrans-69.2-38.9172.3-82-169.819.200112.3L1763 D1764 E1765 L1769 L1770 N1771L1763-Q1767 WeakPolarHBondContact O-CG 3.44Å; L1763-Q1767 PolarHBondContact O-N 3.4Å; D1764-Q1767 PolarHBondContact O-N 2.96Å; E1765-Q1767 VanDerWaalsContact C-N 3.3Å; E1765-Q1767 PolarHBondContact O-N 2.95Å; Q1767-L1769 VanDerWaalsContact C-N 3.34Å; Q1767-L1770 PolarHBondContact O-N 3.47Å; Q1767-N1771 PolarHBondContact O-N 3.26Å; Q1767-N1771 PolarHBondContact O-ND2 2.88Å
1768L71.1Confident68.6Low138 Ų138108.8 Ų108.872%0.72356%0.556SS**Hα-helixtrans-65.4-41.5173.7-149.481.1000110.9D1764 E1765 L1770 N1771 S1772D1764-L1768 PolarHBondContact O-N 2.79Å; E1765-L1768 PolarHBondContact O-N 3.24Å; L1768-L1770 VanDerWaalsContact C-N 3.35Å; L1768-N1771 PolarHBondContact O-N 3.39Å; L1768-S1772 PolarHBondContact O-N 3.02Å
1769L71.8Confident69.3Low114 Ų114107.5 Ų107.560%0.59755%0.548SS*.Hα-helixtrans-65.3-35.4172.7-135.981.3000112.1E1765 V1766 Q1767 N1771 S1772 T1773E1765-L1769 WeakPolarHBondContact O-CB 3.5Å; E1765-L1769 PolarHBondContact O-N 2.92Å; V1766-L1769 CarbonylContact O-C 3.58Å; V1766-L1769 PolarHBondContact O-N 2.92Å; Q1767-L1769 VanDerWaalsContact C-N 3.34Å; L1769-N1771 VanDerWaalsContact C-N 3.33Å; L1769-S1772 PolarHBondContact O-N 2.85Å; L1769-S1772 PolarHBondContact O-OG 2.88Å; L1769-T1773 WeakPolarHBondContact O-CA 3.28Å; L1769-T1773 WeakPolarHBondContact O-CB 3.29Å; L1769-T1773 PolarHBondContact O-N 3.13Å; L1769-T1773 PolarHBondContact O-OG1 3.1Å
1770L66.9Low70Confident96 Ų96108 Ų10850%0.50355%0.549SS..Hα-helixtrans-70.1-30.8179-176.664.8000111.3V1766 Q1767 L1768 T1773 T1774V1766-L1770 WeakPolarHBondContact O-CA 3.49Å; V1766-L1770 WeakPolarHBondContact O-CB 3.41Å; V1766-L1770 PolarHBondContact O-N 3.5Å; Q1767-L1770 PolarHBondContact O-N 3.47Å; L1768-L1770 VanDerWaalsContact C-N 3.35Å; L1770-T1773 CarbonylContact O-C 3.52Å; L1770-T1774 HydrophobicContact CD1-CG2 4.42Å; L1770-T1774 WeakPolarHBondContact O-CB 3.47Å; L1770-T1774 WeakPolarHBondContact O-CG2 3.38Å; L1770-T1774 PolarHBondContact O-N 3.18Å; L1770-T1774 PolarHBondContact O-OG1 3.33Å
1771N73.8Confident70.4Confident104 Ų104107 Ų10756%0.55655%0.546SS*.Hα-helixtrans-71.1-43.1172.7-75.8-41.4000112Q1767 L1768 L1769 T1773 T1774 V1775Q1767-N1771 PolarHBondContact O-N 3.26Å; Q1767-N1771 PolarHBondContact O-ND2 2.88Å; L1768-N1771 PolarHBondContact O-N 3.39Å; L1769-N1771 VanDerWaalsContact C-N 3.33Å; N1771-T1773 VanDerWaalsContact C-N 3.34Å; N1771-T1774 WeakPolarHBondContact CA-OG1 3.35Å; N1771-T1774 PolarHBondContact O-N 2.95Å; N1771-T1774 PolarHBondContact O-OG1 3.17Å; N1771-T1774 VanDerWaalsContact O-OG1 3.12Å; N1771-V1775 PolarHBondContact O-N 3.16Å
1772S74.7Confident71Confident68 Ų68104.1 Ų104.148%0.47654%0.538SS..Hα-helixtrans-66.9-37.8171.8680000111.7L1768 L1769 V1775 A1776L1768-S1772 PolarHBondContact O-N 3.02Å; L1769-S1772 PolarHBondContact O-N 2.85Å; L1769-S1772 PolarHBondContact O-OG 2.88Å; S1772-V1775 PolarHBondContact O-N 2.91Å; S1772-A1776 WeakPolarHBondContact O-CB 3.4Å; S1772-A1776 PolarHBondContact O-N 2.7Å
1773T68.4Low71.5Confident73 Ų73102.3 Ų102.345%0.44853%0.53SS..Hα-helixtrans-71.7-26.1177.6-560000112.6L1769 L1770 N1771 K1777L1769-T1773 WeakPolarHBondContact O-CA 3.28Å; L1769-T1773 WeakPolarHBondContact O-CB 3.29Å; L1769-T1773 PolarHBondContact O-N 3.13Å; L1769-T1773 PolarHBondContact O-OG1 3.1Å; L1770-T1773 CarbonylContact O-C 3.52Å; N1771-T1773 VanDerWaalsContact C-N 3.34Å; T1773-K1777 WeakPolarHBondContact O-CA 3.31Å; T1773-K1777 WeakPolarHBondContact O-CB 3.35Å; T1773-K1777 PolarHBondContact O-N 3.11Å
1774T74.9Confident72.1Confident58 Ų58102 Ų10236%0.35653%0.528SS..Hα-helixtrans-79.5-29.9172.142.50000112.6L1770 N1771 R1778L1770-T1774 HydrophobicContact CD1-CG2 4.42Å; L1770-T1774 WeakPolarHBondContact O-CB 3.47Å; L1770-T1774 WeakPolarHBondContact O-CG2 3.38Å; L1770-T1774 PolarHBondContact O-N 3.18Å; L1770-T1774 PolarHBondContact O-OG1 3.33Å; N1771-T1774 WeakPolarHBondContact CA-OG1 3.35Å; N1771-T1774 PolarHBondContact O-N 2.95Å; N1771-T1774 PolarHBondContact O-OG1 3.17Å; N1771-T1774 VanDerWaalsContact O-OG1 3.12Å; T1774-R1778 WeakPolarHBondContact O-CB 3.31Å; T1774-R1778 WeakPolarHBondContact O-CG 3.46Å; T1774-R1778 PolarHBondContact O-N 3.13Å
1775V76.7Confident72.6Confident104 Ų104104 Ų10463%0.6353%0.534SS*.Hα-helixtrans-68.2-47.2166.8175.30000110.4N1771 S1772 K1777 R1778 K1779N1771-V1775 PolarHBondContact O-N 3.16Å; S1772-V1775 PolarHBondContact O-N 2.91Å; V1775-K1777 VanDerWaalsContact C-N 3.34Å; V1775-K1777 PolarHBondContact O-N 3.2Å; V1775-R1778 PolarHBondContact O-N 3.19Å; V1775-K1779 PolarHBondContact O-N 2.89Å
1776A72.9Confident72.9Confident50 Ų5099 Ų9941%0.41352%0.519SS..Hα-helixtrans-61.8-40.6174.700000111.8S1772 K1779 M1780S1772-A1776 WeakPolarHBondContact O-CB 3.4Å; S1772-A1776 PolarHBondContact O-N 2.7Å; A1776-K1779 WeakPolarHBondContact O-CB 3.36Å; A1776-K1779 PolarHBondContact O-N 2.86Å; A1776-M1780 WeakPolarHBondContact O-CB 3.28Å; A1776-M1780 WeakPolarHBondContact O-CG 3.34Å; A1776-M1780 PolarHBondContact O-N 3.42Å
1777K75.7Confident73.1Confident114 Ų114100.1 Ų100.150%0.49652%0.522SS..Hα-helixtrans-63.8-44.4174.1175.4178.9164.8176.50111.3T1773 V1775 K1779 M1780 E1781T1773-K1777 WeakPolarHBondContact O-CA 3.31Å; T1773-K1777 WeakPolarHBondContact O-CB 3.35Å; T1773-K1777 PolarHBondContact O-N 3.11Å; V1775-K1777 VanDerWaalsContact C-N 3.34Å; V1775-K1777 PolarHBondContact O-N 3.2Å; K1777-K1779 VanDerWaalsContact C-N 3.27Å; K1777-K1779 PolarHBondContact O-N 2.87Å; K1777-M1780 CarbonylContact O-C 3.58Å; K1777-M1780 PolarHBondContact O-N 2.91Å; K1777-E1781 WeakPolarHBondContact CE-OE1 3.43Å; K1777-E1781 HydrophobicContact CG-CG 4.12Å; K1777-E1781 IonicContact NZ-OE1 2.67Å; K1777-E1781 PolarHBondContact NZ-OE1 3.44Å; K1777-E1781 WeakPolarHBondContact O-CB 3.39Å; K1777-E1781 VanDerWaalsContact O-CG 3.28Å; K1777-E1781 WeakPolarHBondContact O-CG 3.25Å; K1777-E1781 PolarHBondContact O-N 3.34Å
1778R73.6Confident73.3Confident186 Ų186103 Ų10370%0.70253%0.529SS*.Hα-helixtrans-61.8-38.8174.7-81.7-179.6174.8176.1-0111.8T1774 V1775 E1781 T1782T1774-R1778 WeakPolarHBondContact O-CB 3.31Å; T1774-R1778 WeakPolarHBondContact O-CG 3.46Å; T1774-R1778 PolarHBondContact O-N 3.13Å; V1775-R1778 PolarHBondContact O-N 3.19Å; R1778-E1781 PolarHBondContact O-N 3.5Å; R1778-T1782 PolarHBondContact O-N 3.32Å; R1778-T1782 PolarHBondContact O-OG1 3.38Å
1779K75.1Confident73.6Confident129 Ų12997.8 Ų97.856%0.56151%0.509SS*.Hα-helixtrans-63.9-46.5174.7-142.4-174.9174.8-104.20111.1V1775 A1776 K1777 E1781 T1782 E1783V1775-K1779 PolarHBondContact O-N 2.89Å; A1776-K1779 WeakPolarHBondContact O-CB 3.36Å; A1776-K1779 PolarHBondContact O-N 2.86Å; K1777-K1779 VanDerWaalsContact C-N 3.27Å; K1777-K1779 PolarHBondContact O-N 2.87Å; K1779-E1781 VanDerWaalsContact C-N 3.34Å; K1779-E1781 PolarHBondContact O-N 2.66Å; K1779-T1782 PolarHBondContact O-N 3.27Å; K1779-E1783 IonicContact NZ-OE1 3.53Å; K1779-E1783 PolarHBondContact NZ-OE1 3.22Å; K1779-E1783 WeakPolarHBondContact O-CB 3.18Å; K1779-E1783 VanDerWaalsContact O-CG 3.3Å; K1779-E1783 WeakPolarHBondContact O-CG 3.5Å; K1779-E1783 PolarHBondContact O-N 2.92Å
1780M71.4Confident73.7Confident117 Ų11796.6 Ų96.658%0.57650%0.503SS*.Hα-helixtrans-68-25.7173.1-71.4-135.716800113.9A1776 K1777 I1784A1776-M1780 WeakPolarHBondContact O-CB 3.28Å; A1776-M1780 WeakPolarHBondContact O-CG 3.34Å; A1776-M1780 PolarHBondContact O-N 3.42Å; K1777-M1780 CarbonylContact O-C 3.58Å; K1777-M1780 PolarHBondContact O-N 2.91Å; M1780-I1784 WeakPolarHBondContact O-CA 3.49Å; M1780-I1784 WeakPolarHBondContact O-CB 3.4Å; M1780-I1784 WeakPolarHBondContact O-CD1 3.44Å; M1780-I1784 WeakPolarHBondContact O-CG1 3.27Å; M1780-I1784 PolarHBondContact O-N 3.16Å
1781E73.6Confident74Confident89 Ų8997 Ų9742%0.41651%0.505SS..Hα-helixtrans-74.1-35.6172.4-79.3171.8145.900109.9K1777 R1778 K1779 Q1785K1777-E1781 WeakPolarHBondContact CE-OE1 3.43Å; K1777-E1781 HydrophobicContact CG-CG 4.12Å; K1777-E1781 IonicContact NZ-OE1 2.67Å; K1777-E1781 PolarHBondContact NZ-OE1 3.44Å; K1777-E1781 WeakPolarHBondContact O-CB 3.39Å; K1777-E1781 VanDerWaalsContact O-CG 3.28Å; K1777-E1781 WeakPolarHBondContact O-CG 3.25Å; K1777-E1781 PolarHBondContact O-N 3.34Å; R1778-E1781 PolarHBondContact O-N 3.5Å; K1779-E1781 VanDerWaalsContact C-N 3.34Å; K1779-E1781 PolarHBondContact O-N 2.66Å; E1781-Q1785 WeakPolarHBondContact O-CB 3.36Å; E1781-Q1785 PolarHBondContact O-N 2.92Å
1782T74.6Confident74Confident94 Ų9498.7 Ų98.758%0.57751%0.51SS*.Hα-helixtrans-72-42.2172.5-470000110.8R1778 K1779 Q1785 A1786R1778-T1782 PolarHBondContact O-N 3.32Å; R1778-T1782 PolarHBondContact O-OG1 3.38Å; K1779-T1782 PolarHBondContact O-N 3.27Å; T1782-Q1785 PolarHBondContact O-N 3.16Å; T1782-A1786 WeakPolarHBondContact O-CB 3.48Å; T1782-A1786 PolarHBondContact O-N 2.79Å
1783E74.3Confident74Confident79 Ų79100.9 Ų100.937%0.36952%0.516SS..Hα-helixtrans-69.4-33.2175.8-70.2165.7-168.300110.8K1779 L1787K1779-E1783 IonicContact NZ-OE1 3.53Å; K1779-E1783 PolarHBondContact NZ-OE1 3.22Å; K1779-E1783 WeakPolarHBondContact O-CB 3.18Å; K1779-E1783 VanDerWaalsContact O-CG 3.3Å; K1779-E1783 WeakPolarHBondContact O-CG 3.5Å; K1779-E1783 PolarHBondContact O-N 2.92Å; E1783-L1787 WeakPolarHBondContact O-CB 3.39Å; E1783-L1787 WeakPolarHBondContact O-CD1 3.29Å; E1783-L1787 WeakPolarHBondContact O-CG 3.2Å; E1783-L1787 PolarHBondContact O-N 3.44Å
1784I74.2Confident74.3Confident84 Ų84103.1 Ų103.143%0.43152%0.523SS..Hα-helixtrans-73-31.8169.6-74.3164.3000111.4M1780 R1788M1780-I1784 WeakPolarHBondContact O-CA 3.49Å; M1780-I1784 WeakPolarHBondContact O-CB 3.4Å; M1780-I1784 WeakPolarHBondContact O-CD1 3.44Å; M1780-I1784 WeakPolarHBondContact O-CG1 3.27Å; M1780-I1784 PolarHBondContact O-N 3.16Å; I1784-R1788 HydrophobicContact CG2-CG 4.34Å; I1784-R1788 WeakPolarHBondContact O-CB 3.46Å; I1784-R1788 WeakPolarHBondContact O-CG 3.34Å; I1784-R1788 PolarHBondContact O-N 3.24Å
1785Q76.7Confident74.3Confident149 Ų149103 Ų10370%0.69652%0.522SS*.Hα-helixtrans-77.2-34.3176.7-167.5164.513.900111.6E1781 T1782 R1788 G1789E1781-Q1785 WeakPolarHBondContact O-CB 3.36Å; E1781-Q1785 PolarHBondContact O-N 2.92Å; T1782-Q1785 PolarHBondContact O-N 3.16Å; Q1785-R1788 PolarHBondContact O-N 2.66Å; Q1785-G1789 PolarHBondContact O-N 2.93Å
1786A73Confident74.2Confident52 Ų52102.3 Ų102.343%0.4351%0.512SS..Hα-helixtrans-64.7-54166.200000110.4T1782 R1788 G1789 D1790T1782-A1786 WeakPolarHBondContact O-CB 3.48Å; T1782-A1786 PolarHBondContact O-N 2.79Å; A1786-R1788 PolarHBondContact O-N 3.4Å; A1786-R1788 VanDerWaalsContact O-N 3.1Å; A1786-G1789 CarbonylContact O-C 3.58Å; A1786-G1789 VanDerWaalsContact O-CA 3.31Å; A1786-G1789 WeakPolarHBondContact O-CA 3.36Å; A1786-G1789 PolarHBondContact O-N 2.86Å; A1786-D1790 VanDerWaalsContact O-CG 3.31Å; A1786-D1790 PolarHBondContact O-N 3.16Å
1787L71.8Confident74.2Confident104 Ų104105.7 Ų105.755%0.54552%0.519SS..Hα-helixtrans-63.2-16.8175.8-73.4168.8000113.8E1783 L1791E1783-L1787 WeakPolarHBondContact O-CB 3.39Å; E1783-L1787 WeakPolarHBondContact O-CD1 3.29Å; E1783-L1787 WeakPolarHBondContact O-CG 3.2Å; E1783-L1787 PolarHBondContact O-N 3.44Å; L1787-L1791 WeakPolarHBondContact O-CB 3.27Å; L1787-L1791 PolarHBondContact O-N 3.32Å
1788R74.9Confident74Confident160 Ų160102.6 Ų102.660%0.60452%0.515SS*.Hα-helixtrans-82.1-36.7167.9-84.4173.3-175.1-1623112.1I1784 Q1785 A1786 L1791 E1792I1784-R1788 HydrophobicContact CG2-CG 4.34Å; I1784-R1788 WeakPolarHBondContact O-CB 3.46Å; I1784-R1788 WeakPolarHBondContact O-CG 3.34Å; I1784-R1788 PolarHBondContact O-N 3.24Å; Q1785-R1788 PolarHBondContact O-N 2.66Å; A1786-R1788 PolarHBondContact O-N 3.4Å; A1786-R1788 VanDerWaalsContact O-N 3.1Å; R1788-L1791 CarbonylContact O-C 3.57Å; R1788-L1791 PolarHBondContact O-N 3.42Å; R1788-E1792 VanDerWaalsContact O-CB 3.31Å; R1788-E1792 WeakPolarHBondContact O-CB 3.5Å; R1788-E1792 WeakPolarHBondContact O-CG 3.17Å; R1788-E1792 PolarHBondContact O-N 2.75Å
1789G76Confident74.1Confident29 Ų2998.6 Ų98.630%0.29950%0.502SS..Hα-helixtrans-58.5-52.5164.400000110Q1785 A1786 L1791 E1792 D1793Q1785-G1789 PolarHBondContact O-N 2.93Å; A1786-G1789 CarbonylContact O-C 3.58Å; A1786-G1789 VanDerWaalsContact O-CA 3.31Å; A1786-G1789 WeakPolarHBondContact O-CA 3.36Å; A1786-G1789 PolarHBondContact O-N 2.86Å; G1789-L1791 VanDerWaalsContact C-N 3.25Å; G1789-L1791 PolarHBondContact O-N 3.24Å; G1789-E1792 CarbonylContact O-C 3.6Å; G1789-E1792 PolarHBondContact O-N 3.45Å; G1789-D1793 WeakPolarHBondContact O-CB 3.24Å; G1789-D1793 PolarHBondContact O-N 2.76Å
1790D73.8Confident74.1Confident90 Ų9095.9 Ų95.948%0.48149%0.494SS..Hα-helixtrans-62.5-28.1175.6-52.8-31.1000112.3A1786 M1794A1786-D1790 VanDerWaalsContact O-CG 3.31Å; A1786-D1790 PolarHBondContact O-N 3.16Å; D1790-M1794 WeakPolarHBondContact O-CA 3.49Å; D1790-M1794 WeakPolarHBondContact O-CB 3.49Å; D1790-M1794 WeakPolarHBondContact O-CG 3.42Å; D1790-M1794 PolarHBondContact O-N 3.01Å
1791L73.1Confident74.2Confident105 Ų10593.7 Ų93.755%0.5549%0.485SS..Hα-helixtrans-80.3-29.8171.4-107.2156.2000113.2L1787 R1788 G1789 T1795L1787-L1791 WeakPolarHBondContact O-CB 3.27Å; L1787-L1791 PolarHBondContact O-N 3.32Å; R1788-L1791 CarbonylContact O-C 3.57Å; R1788-L1791 PolarHBondContact O-N 3.42Å; G1789-L1791 VanDerWaalsContact C-N 3.25Å; G1789-L1791 PolarHBondContact O-N 3.24Å; L1791-T1795 HydrophobicContact CD2-CG2 4.02Å; L1791-T1795 WeakPolarHBondContact O-CA 3.29Å; L1791-T1795 WeakPolarHBondContact O-CB 3.48Å; L1791-T1795 WeakPolarHBondContact O-CG2 3.11Å; L1791-T1795 PolarHBondContact O-N 3.03Å; L1791-T1795 PolarHBondContact O-OG1 3.17Å
1792E74.8Confident74.1Confident139 Ų13993.9 Ų93.965%0.6549%0.486SS*.Hα-helixtrans-74.6-41.5174.1-78.2175.3-172.200109.6R1788 G1789 T1795 Q1796R1788-E1792 VanDerWaalsContact O-CB 3.31Å; R1788-E1792 WeakPolarHBondContact O-CB 3.5Å; R1788-E1792 WeakPolarHBondContact O-CG 3.17Å; R1788-E1792 PolarHBondContact O-N 2.75Å; G1789-E1792 CarbonylContact O-C 3.6Å; G1789-E1792 PolarHBondContact O-N 3.45Å; E1792-T1795 CarbonylContact O-C 3.58Å; E1792-T1795 PolarHBondContact O-N 2.76Å; E1792-T1795 PolarHBondContact O-OG1 2.86Å; E1792-Q1796 VanDerWaalsContact O-CB 3.24Å; E1792-Q1796 WeakPolarHBondContact O-CB 3.41Å; E1792-Q1796 PolarHBondContact O-N 2.96Å
1793D75.4Confident74Confident114 Ų11495.4 Ų95.461%0.6149%0.486SS*.Hα-helixtrans-69-44170.7-74.9-18.1000111.4G1789 T1795 Q1796 E1797G1789-D1793 WeakPolarHBondContact O-CB 3.24Å; G1789-D1793 PolarHBondContact O-N 2.76Å; D1793-T1795 VanDerWaalsContact C-N 3.35Å; D1793-T1795 PolarHBondContact O-N 2.73Å; D1793-Q1796 CarbonylContact O-C 3.58Å; D1793-Q1796 PolarHBondContact O-N 3.47Å; D1793-E1797 WeakPolarHBondContact O-CB 3.17Å; D1793-E1797 PolarHBondContact O-N 2.96Å
1794M73Confident73.9Confident120 Ų12097.5 Ų97.559%0.59149%0.494SS*.Hα-helixtrans-69.7-26.5173.2-76.1-75.2-64.800113.1D1790 A1798D1790-M1794 WeakPolarHBondContact O-CA 3.49Å; D1790-M1794 WeakPolarHBondContact O-CB 3.49Å; D1790-M1794 WeakPolarHBondContact O-CG 3.42Å; D1790-M1794 PolarHBondContact O-N 3.01Å; M1794-A1798 WeakPolarHBondContact O-CA 3.3Å; M1794-A1798 WeakPolarHBondContact O-CB 3.45Å; M1794-A1798 PolarHBondContact O-N 2.99Å
1795T75.1Confident73.7Confident55 Ų55101.7 Ų101.734%0.33751%0.506SS..Hα-helixtrans-87.9-9.4170.361.80000113L1791 E1792 D1793 K1799L1791-T1795 HydrophobicContact CD2-CG2 4.02Å; L1791-T1795 WeakPolarHBondContact O-CA 3.29Å; L1791-T1795 WeakPolarHBondContact O-CB 3.48Å; L1791-T1795 WeakPolarHBondContact O-CG2 3.11Å; L1791-T1795 PolarHBondContact O-N 3.03Å; L1791-T1795 PolarHBondContact O-OG1 3.17Å; E1792-T1795 CarbonylContact O-C 3.58Å; E1792-T1795 PolarHBondContact O-N 2.76Å; E1792-T1795 PolarHBondContact O-OG1 2.86Å; D1793-T1795 VanDerWaalsContact C-N 3.35Å; D1793-T1795 PolarHBondContact O-N 2.73Å; T1795-K1799 VanDerWaalsContact O-CB 3.27Å; T1795-K1799 WeakPolarHBondContact O-CB 3.08Å; T1795-K1799 WeakPolarHBondContact O-CD 3.31Å; T1795-K1799 VanDerWaalsContact O-CE 3.3Å; T1795-K1799 WeakPolarHBondContact O-CE 3.47Å; T1795-K1799 WeakPolarHBondContact O-CG 3.09Å; T1795-K1799 PolarHBondContact O-N 3.23Å; T1795-K1799 VanDerWaalsContact O-N 3.08Å; T1795-K1799 PolarHBondContact O-NZ 3.01Å
1796Q76.2Confident73.6Confident90 Ų90101.4 Ų101.442%0.42150%0.498SS..Hα-helixtrans-87.2-45.3165.6-16657.546.600110.1E1792 D1793 A1798 K1799 D1800E1792-Q1796 VanDerWaalsContact O-CB 3.24Å; E1792-Q1796 WeakPolarHBondContact O-CB 3.41Å; E1792-Q1796 PolarHBondContact O-N 2.96Å; D1793-Q1796 CarbonylContact O-C 3.58Å; D1793-Q1796 PolarHBondContact O-N 3.47Å; Q1796-A1798 VanDerWaalsContact C-N 3.3Å; Q1796-A1798 PolarHBondContact O-N 2.94Å; Q1796-K1799 CarbonylContact O-C 3Å; Q1796-K1799 WeakPolarHBondContact O-CA 3.39Å; Q1796-K1799 WeakPolarHBondContact O-CB 3.37Å; Q1796-K1799 PolarHBondContact O-N 2.77Å; Q1796-D1800 PolarHBondContact NE2-OD1 3.14Å; Q1796-D1800 WeakPolarHBondContact O-CB 3.44Å; Q1796-D1800 PolarHBondContact O-N 2.81Å; Q1796-D1800 VanDerWaalsContact O-OD1 3.14Å
1797E72.4Confident73.6Confident121 Ų121105.2 Ų105.257%0.56551%0.505SS*.Hα-helixtrans-59.4-38.4166-76.9-145.1135.700111.7D1793 N1801D1793-E1797 WeakPolarHBondContact O-CB 3.17Å; D1793-E1797 PolarHBondContact O-N 2.96Å; E1797-N1801 WeakPolarHBondContact O-CA 3.46Å; E1797-N1801 WeakPolarHBondContact O-CB 3.33Å; E1797-N1801 PolarHBondContact O-N 2.68Å; E1797-N1801 PolarHBondContact O-ND2 3.3Å; E1797-N1801 VanDerWaalsContact O-ND2 3.08Å
1798A71.7Confident73.7Confident48 Ų48102.9 Ų102.940%0.39750%0.501SS..Hα-helixtrans-77-16.1172.800000113.5M1794 Q1796 E1802M1794-A1798 WeakPolarHBondContact O-CA 3.3Å; M1794-A1798 WeakPolarHBondContact O-CB 3.45Å; M1794-A1798 PolarHBondContact O-N 2.99Å; Q1796-A1798 VanDerWaalsContact C-N 3.3Å; Q1796-A1798 PolarHBondContact O-N 2.94Å; A1798-E1802 WeakPolarHBondContact O-CA 3.47Å; A1798-E1802 WeakPolarHBondContact O-CB 3.37Å; A1798-E1802 VanDerWaalsContact O-CG 3.29Å; A1798-E1802 WeakPolarHBondContact O-CG 3.13Å; A1798-E1802 PolarHBondContact O-N 2.75Å
1799K75.8Confident73.5Confident102 Ų10298.3 Ų98.344%0.44349%0.49SS..Hα-helixtrans-79.7-44.6166.4-83.8164.5-152135.80111.5T1795 Q1796 N1801 E1802 E1803T1795-K1799 VanDerWaalsContact O-CB 3.27Å; T1795-K1799 WeakPolarHBondContact O-CB 3.08Å; T1795-K1799 WeakPolarHBondContact O-CD 3.31Å; T1795-K1799 VanDerWaalsContact O-CE 3.3Å; T1795-K1799 WeakPolarHBondContact O-CE 3.47Å; T1795-K1799 WeakPolarHBondContact O-CG 3.09Å; T1795-K1799 PolarHBondContact O-N 3.23Å; T1795-K1799 VanDerWaalsContact O-N 3.08Å; T1795-K1799 PolarHBondContact O-NZ 3.01Å; Q1796-K1799 CarbonylContact O-C 3Å; Q1796-K1799 WeakPolarHBondContact O-CA 3.39Å; Q1796-K1799 WeakPolarHBondContact O-CB 3.37Å; Q1796-K1799 PolarHBondContact O-N 2.77Å; K1799-N1801 VanDerWaalsContact C-N 3.29Å; K1799-E1802 CarbonylContact O-C 3.49Å; K1799-E1802 WeakPolarHBondContact O-CB 3.36Å; K1799-E1802 PolarHBondContact O-N 2.63Å; K1799-E1803 VanDerWaalsContact O-CB 3.28Å; K1799-E1803 WeakPolarHBondContact O-CB 3.37Å; K1799-E1803 PolarHBondContact O-N 2.99Å
1800D74.2Confident73.4Confident73 Ų73102.2 Ų102.239%0.3950%0.504SS..Hα-helixtrans-65.5-36.9175.2-73.927000110.3Q1796 E1803 K1804Q1796-D1800 PolarHBondContact NE2-OD1 3.14Å; Q1796-D1800 WeakPolarHBondContact O-CB 3.44Å; Q1796-D1800 PolarHBondContact O-N 2.81Å; Q1796-D1800 VanDerWaalsContact O-OD1 3.14Å; D1800-E1803 PolarHBondContact O-N 3.5Å; D1800-K1804 WeakPolarHBondContact O-CB 3.2Å; D1800-K1804 WeakPolarHBondContact O-CD 3.4Å; D1800-K1804 WeakPolarHBondContact O-CG 3.44Å; D1800-K1804 PolarHBondContact O-N 3.37Å
1801N74.3Confident73.3Confident70 Ų70102.5 Ų102.537%0.37451%0.506SS..Hα-helixtrans-80.3-27.4171-64.7-31.1000112.2E1797 K1799 E1803 K1804 Y1805E1797-N1801 WeakPolarHBondContact O-CA 3.46Å; E1797-N1801 WeakPolarHBondContact O-CB 3.33Å; E1797-N1801 PolarHBondContact O-N 2.68Å; E1797-N1801 PolarHBondContact O-ND2 3.3Å; E1797-N1801 VanDerWaalsContact O-ND2 3.08Å; K1799-N1801 VanDerWaalsContact C-N 3.29Å; N1801-E1803 VanDerWaalsContact C-N 3.29Å; N1801-K1804 WeakPolarHBondContact OD1-CD 3.25Å; N1801-K1804 PolarHBondContact OD1-NZ 3.05Å; N1801-Y1805 WeakPolarHBondContact O-CA 3.49Å; N1801-Y1805 WeakPolarHBondContact O-CB 3.34Å; N1801-Y1805 PolarHBondContact O-N 3.17Å
1802E70.4Confident73.2Confident94 Ų94100 Ų10044%0.43950%0.5SS..Hα-helixtrans-67.8-27.2163.4-98.7-151.2142.400111.5A1798 K1799 Y1805 R1806A1798-E1802 WeakPolarHBondContact O-CA 3.47Å; A1798-E1802 WeakPolarHBondContact O-CB 3.37Å; A1798-E1802 VanDerWaalsContact O-CG 3.29Å; A1798-E1802 WeakPolarHBondContact O-CG 3.13Å; A1798-E1802 PolarHBondContact O-N 2.75Å; K1799-E1802 CarbonylContact O-C 3.49Å; K1799-E1802 WeakPolarHBondContact O-CB 3.36Å; K1799-E1802 PolarHBondContact O-N 2.63Å; E1802-Y1805 CarbonylContact O-C 3.59Å; E1802-R1806 WeakPolarHBondContact O-CA 3.36Å; E1802-R1806 WeakPolarHBondContact O-CB 3.34Å; E1802-R1806 WeakPolarHBondContact O-CG 3.15Å; E1802-R1806 PolarHBondContact O-N 2.93Å; E1802-R1806 IonicContact OE1-CZ 2.78Å; E1802-R1806 IonicContact OE1-NH2 2.66Å; E1802-R1806 PolarHBondContact OE1-NH2 3.38Å; E1802-R1806 IonicContact OE2-CZ 3.19Å; E1802-R1806 VanDerWaalsContact OE2-CZ 3.28Å; E1802-R1806 IonicContact OE2-NH1 3.83Å; E1802-R1806 PolarHBondContact OE2-NH1 3.06Å; E1802-R1806 IonicContact OE2-NH2 2.72Å; E1802-R1806 PolarHBondContact OE2-NH2 2.78Å
1803E72.9Confident73.2Confident126 Ų12696.2 Ų96.259%0.58949%0.487SS*.Hα-helixtrans-86.8-33.8-179.5-167.4170.4-106.800110.3K1799 D1800 N1801 R1806 K1807K1799-E1803 VanDerWaalsContact O-CB 3.28Å; K1799-E1803 WeakPolarHBondContact O-CB 3.37Å; K1799-E1803 PolarHBondContact O-N 2.99Å; D1800-E1803 PolarHBondContact O-N 3.5Å; N1801-E1803 VanDerWaalsContact C-N 3.29Å; E1803-R1806 PolarHBondContact O-N 2.97Å; E1803-K1807 WeakPolarHBondContact O-CB 3.5Å; E1803-K1807 WeakPolarHBondContact O-CG 3.24Å; E1803-K1807 PolarHBondContact O-N 2.86Å
1804K73.2Confident73.1Confident123 Ų12398.1 Ų98.154%0.53549%0.485SS..Hα-helixtrans-65.8-39160.8-67.2164-149.7156.10111.6D1800 N1801 K1807 A1808D1800-K1804 WeakPolarHBondContact O-CB 3.2Å; D1800-K1804 WeakPolarHBondContact O-CD 3.4Å; D1800-K1804 WeakPolarHBondContact O-CG 3.44Å; D1800-K1804 PolarHBondContact O-N 3.37Å; N1801-K1804 WeakPolarHBondContact OD1-CD 3.25Å; N1801-K1804 PolarHBondContact OD1-NZ 3.05Å; K1804-K1807 PolarHBondContact O-N 2.87Å; K1804-A1808 WeakPolarHBondContact O-CB 3.42Å; K1804-A1808 PolarHBondContact O-N 3.47Å
1805Y69.9Low73Confident172 Ų17297.7 Ų97.768%0.67548%0.484SS*.Hα-helixtrans-70.3-37172.9-118.9-92.2000110.7N1801 E1802 A1808 T1809N1801-Y1805 WeakPolarHBondContact O-CA 3.49Å; N1801-Y1805 WeakPolarHBondContact O-CB 3.34Å; N1801-Y1805 PolarHBondContact O-N 3.17Å; E1802-Y1805 CarbonylContact O-C 3.59Å; Y1805-A1808 CarbonylContact O-C 3.38Å; Y1805-T1809 WeakPolarHBondContact CD1-OG1 3.4Å; Y1805-T1809 VanDerWaalsContact O-CA 3.3Å; Y1805-T1809 WeakPolarHBondContact O-CA 3.41Å; Y1805-T1809 WeakPolarHBondContact O-CB 3.42Å; Y1805-T1809 PolarHBondContact O-N 3.15Å; Y1805-T1809 PolarHBondContact O-OG1 3.3Å
1806R74Confident72.8Confident143 Ų14398 Ų9854%0.5449%0.489SS..Hα-helixtrans-71.1-31.2174.9-83.4-176.6-170.8112.218.8111.3E1802 E1803 L1810E1802-R1806 WeakPolarHBondContact O-CA 3.36Å; E1802-R1806 WeakPolarHBondContact O-CB 3.34Å; E1802-R1806 WeakPolarHBondContact O-CG 3.15Å; E1802-R1806 PolarHBondContact O-N 2.93Å; E1802-R1806 IonicContact OE1-CZ 2.78Å; E1802-R1806 IonicContact OE1-NH2 2.66Å; E1802-R1806 PolarHBondContact OE1-NH2 3.38Å; E1802-R1806 IonicContact OE2-CZ 3.19Å; E1802-R1806 VanDerWaalsContact OE2-CZ 3.28Å; E1802-R1806 IonicContact OE2-NH1 3.83Å; E1802-R1806 PolarHBondContact OE2-NH1 3.06Å; E1802-R1806 IonicContact OE2-NH2 2.72Å; E1802-R1806 PolarHBondContact OE2-NH2 2.78Å; E1803-R1806 PolarHBondContact O-N 2.97Å; R1806-L1810 WeakPolarHBondContact O-CA 3.2Å; R1806-L1810 WeakPolarHBondContact O-CB 3.45Å; R1806-L1810 WeakPolarHBondContact O-CD1 3.22Å; R1806-L1810 WeakPolarHBondContact O-CG 3.42Å; R1806-L1810 PolarHBondContact O-N 3.39Å
1807K73.7Confident72.7Confident132 Ų13297.4 Ų97.457%0.57449%0.489SS*.Hα-helixtrans-69.7-55.9167.1-81.2-177.9174.8173.70110.7E1803 K1804 T1809 L1810 D1811E1803-K1807 WeakPolarHBondContact O-CB 3.5Å; E1803-K1807 WeakPolarHBondContact O-CG 3.24Å; E1803-K1807 PolarHBondContact O-N 2.86Å; K1804-K1807 PolarHBondContact O-N 2.87Å; K1807-T1809 PolarHBondContact O-N 2.86Å; K1807-T1809 VanDerWaalsContact O-N 3.07Å; K1807-L1810 CarbonylContact O-C 3.45Å; K1807-L1810 PolarHBondContact O-N 2.91Å; K1807-D1811 VanDerWaalsContact O-CB 3.25Å; K1807-D1811 WeakPolarHBondContact O-CB 3.3Å; K1807-D1811 PolarHBondContact O-N 3.23Å
1808A72.4Confident72.5Confident55 Ų5595.3 Ų95.346%0.45548%0.479SS..Hα-helixtrans-60-23.1176.400000113.9K1804 Y1805 A1812K1804-A1808 WeakPolarHBondContact O-CB 3.42Å; K1804-A1808 PolarHBondContact O-N 3.47Å; Y1805-A1808 CarbonylContact O-C 3.38Å; A1808-A1812 WeakPolarHBondContact O-CA 3.31Å; A1808-A1812 WeakPolarHBondContact O-CB 3.35Å; A1808-A1812 PolarHBondContact O-N 2.94Å
1809T71.8Confident72.5Confident63 Ų6397.4 Ų97.439%0.38748%0.483SS..Hα-helixtrans-96.5-20.6175.1-53.20000112Y1805 K1807 T1813Y1805-T1809 WeakPolarHBondContact CD1-OG1 3.4Å; Y1805-T1809 VanDerWaalsContact O-CA 3.3Å; Y1805-T1809 WeakPolarHBondContact O-CA 3.41Å; Y1805-T1809 WeakPolarHBondContact O-CB 3.42Å; Y1805-T1809 PolarHBondContact O-N 3.15Å; Y1805-T1809 PolarHBondContact O-OG1 3.3Å; K1807-T1809 PolarHBondContact O-N 2.86Å; K1807-T1809 VanDerWaalsContact O-N 3.07Å; T1809-T1813 HydrophobicContact CG2-CG2 4.03Å; T1809-T1813 WeakPolarHBondContact O-CA 3.39Å; T1809-T1813 WeakPolarHBondContact O-CB 3.45Å; T1809-T1813 WeakPolarHBondContact O-CG2 3.47Å; T1809-T1813 PolarHBondContact O-N 3.16Å; T1809-T1813 PolarHBondContact O-OG1 2.78Å
1810L74.1Confident72.4Confident111 Ų11198.5 Ų98.558%0.58149%0.485SS*.Hα-helixtrans-77-35.7163.8-83.4165.1000110.4R1806 K1807 T1813 R1814R1806-L1810 WeakPolarHBondContact O-CA 3.2Å; R1806-L1810 WeakPolarHBondContact O-CB 3.45Å; R1806-L1810 WeakPolarHBondContact O-CD1 3.22Å; R1806-L1810 WeakPolarHBondContact O-CG 3.42Å; R1806-L1810 PolarHBondContact O-N 3.39Å; K1807-L1810 CarbonylContact O-C 3.45Å; K1807-L1810 PolarHBondContact O-N 2.91Å; L1810-T1813 WeakPolarHBondContact CA-OG1 3.02Å; L1810-T1813 PolarHBondContact O-OG1 3.32Å; L1810-R1814 WeakPolarHBondContact O-CA 3.35Å; L1810-R1814 WeakPolarHBondContact O-CB 3.25Å; L1810-R1814 PolarHBondContact O-N 2.9Å
1811D71.8Confident72.4Confident97 Ų97101.5 Ų101.552%0.51950%0.496SS..Hα-helixtrans-75.9-31.5173-63-31.8000110.2K1807 L1815K1807-D1811 VanDerWaalsContact O-CB 3.25Å; K1807-D1811 WeakPolarHBondContact O-CB 3.3Å; K1807-D1811 PolarHBondContact O-N 3.23Å; D1811-L1815 WeakPolarHBondContact O-CA 3.38Å; D1811-L1815 WeakPolarHBondContact O-CB 3.42Å; D1811-L1815 WeakPolarHBondContact O-CG 3.44Å; D1811-L1815 PolarHBondContact O-N 3.3Å
1812A70.6Confident72.2Confident51 Ų51104 Ų10442%0.42151%0.505SS..Hα-helixtrans-86.7-22.2170.200000114.1A1808 S1816A1808-A1812 WeakPolarHBondContact O-CA 3.31Å; A1808-A1812 WeakPolarHBondContact O-CB 3.35Å; A1808-A1812 PolarHBondContact O-N 2.94Å; A1812-S1816 WeakPolarHBondContact O-CA 3.31Å; A1812-S1816 WeakPolarHBondContact O-CB 3.49Å; A1812-S1816 PolarHBondContact O-N 3.02Å
1813T74Confident72.1Confident61 Ų61103.7 Ų103.737%0.37450%0.504SS..Hα-helixtrans-80.5-28.1164.162.80000110.5T1809 L1810 S1816 D1817T1809-T1813 HydrophobicContact CG2-CG2 4.03Å; T1809-T1813 WeakPolarHBondContact O-CA 3.39Å; T1809-T1813 WeakPolarHBondContact O-CB 3.45Å; T1809-T1813 WeakPolarHBondContact O-CG2 3.47Å; T1809-T1813 PolarHBondContact O-N 3.16Å; T1809-T1813 PolarHBondContact O-OG1 2.78Å; L1810-T1813 WeakPolarHBondContact CA-OG1 3.02Å; L1810-T1813 PolarHBondContact O-OG1 3.32Å; T1813-S1816 CarbonylContact O-C 3.52Å; T1813-S1816 PolarHBondContact O-N 2.83Å; T1813-D1817 WeakPolarHBondContact O-CA 3.34Å; T1813-D1817 WeakPolarHBondContact O-CB 3.46Å; T1813-D1817 PolarHBondContact O-N 3.12Å
1814R74.4Confident72.2Confident153 Ų153102.2 Ų102.258%0.57750%0.497SS*.Hα-helixtrans-71.5-50169.2179.8178.9171.8178.3-1.9110.1L1810 S1816 D1817 E1818L1810-R1814 WeakPolarHBondContact O-CA 3.35Å; L1810-R1814 WeakPolarHBondContact O-CB 3.25Å; L1810-R1814 PolarHBondContact O-N 2.9Å; R1814-S1816 PolarHBondContact O-N 3Å; R1814-D1817 CarbonylContact O-C 3.45Å; R1814-D1817 PolarHBondContact O-N 3.49Å; R1814-E1818 HydrophobicContact CG-CG 4.3Å; R1814-E1818 IonicContact CZ-OE1 3.9Å; R1814-E1818 IonicContact NE-OE1 2.89Å; R1814-E1818 PolarHBondContact NE-OE1 3.48Å; R1814-E1818 IonicContact NE-OE2 2.63Å; R1814-E1818 IonicContact NH2-OE1 3.04Å; R1814-E1818 PolarHBondContact NH2-OE1 3.42Å; R1814-E1818 VanDerWaalsContact O-CB 3.27Å; R1814-E1818 WeakPolarHBondContact O-CB 3.33Å; R1814-E1818 WeakPolarHBondContact O-CG 3.5Å; R1814-E1818 PolarHBondContact O-N 3.02Å
1815L69.9Low72.1Confident111 Ų111101 Ų10158%0.58149%0.493SS*.Hα-helixtrans-65.1-22.7171-75.9166.9000111.9D1811 L1819D1811-L1815 WeakPolarHBondContact O-CA 3.38Å; D1811-L1815 WeakPolarHBondContact O-CB 3.42Å; D1811-L1815 WeakPolarHBondContact O-CG 3.44Å; D1811-L1815 PolarHBondContact O-N 3.3Å; L1815-L1819 WeakPolarHBondContact O-CA 3.18Å; L1815-L1819 WeakPolarHBondContact O-CB 3.42Å; L1815-L1819 PolarHBondContact O-N 3.06Å
1816S71.5Confident72.1Confident62 Ų6296 Ų9643%0.43448%0.484SS..Hα-helixtrans-92.9-1.9170.6-171.10000114A1812 T1813 R1814 R1820A1812-S1816 WeakPolarHBondContact O-CA 3.31Å; A1812-S1816 WeakPolarHBondContact O-CB 3.49Å; A1812-S1816 PolarHBondContact O-N 3.02Å; T1813-S1816 CarbonylContact O-C 3.52Å; T1813-S1816 PolarHBondContact O-N 2.83Å; R1814-S1816 PolarHBondContact O-N 3Å; S1816-R1820 WeakPolarHBondContact O-CB 3.4Å; S1816-R1820 PolarHBondContact O-N 3.38Å; S1816-R1820 VanDerWaalsContact O-N 3.1Å
1817D73.8Confident72Confident78 Ų7893.4 Ų93.442%0.41748%0.477SS..Hα-helixtrans-104.6-25.2168.7-82.3-29.3000109.9T1813 R1814 R1820 Q1821T1813-D1817 WeakPolarHBondContact O-CA 3.34Å; T1813-D1817 WeakPolarHBondContact O-CB 3.46Å; T1813-D1817 PolarHBondContact O-N 3.12Å; R1814-D1817 CarbonylContact O-C 3.45Å; R1814-D1817 PolarHBondContact O-N 3.49Å; D1817-R1820 CarbonylContact O-C 3.59Å; D1817-R1820 IonicContact OD1-NH1 3.55Å; D1817-Q1821 VanDerWaalsContact O-CB 3.22Å; D1817-Q1821 WeakPolarHBondContact O-CB 3.46Å; D1817-Q1821 WeakPolarHBondContact O-CG 3.16Å; D1817-Q1821 PolarHBondContact O-N 3.16Å
1818E68.6Low72.1Confident77 Ų7793.8 Ų93.836%0.3648%0.476SS..Hα-helixtrans-77.7-48.3163.8-71.6171169.200108.7R1814 R1820 Q1821 E1822R1814-E1818 HydrophobicContact CG-CG 4.3Å; R1814-E1818 IonicContact CZ-OE1 3.9Å; R1814-E1818 IonicContact NE-OE1 2.89Å; R1814-E1818 PolarHBondContact NE-OE1 3.48Å; R1814-E1818 IonicContact NE-OE2 2.63Å; R1814-E1818 IonicContact NH2-OE1 3.04Å; R1814-E1818 PolarHBondContact NH2-OE1 3.42Å; R1814-E1818 VanDerWaalsContact O-CB 3.27Å; R1814-E1818 WeakPolarHBondContact O-CB 3.33Å; R1814-E1818 WeakPolarHBondContact O-CG 3.5Å; R1814-E1818 PolarHBondContact O-N 3.02Å; E1818-R1820 PolarHBondContact O-N 2.73Å; E1818-Q1821 CarbonylContact O-C 3.48Å; E1818-Q1821 PolarHBondContact O-N 3.29Å; E1818-E1822 VanDerWaalsContact O-CB 3.25Å; E1818-E1822 WeakPolarHBondContact O-CB 3.25Å; E1818-E1822 PolarHBondContact O-N 2.85Å
1819L70.9Confident72Confident92 Ų9294.9 Ų94.948%0.48247%0.474SS..Hα-helixtrans-68.1-20.7167.3-176.663.7000112L1815 E1822 Q1823L1815-L1819 WeakPolarHBondContact O-CA 3.18Å; L1815-L1819 WeakPolarHBondContact O-CB 3.42Å; L1815-L1819 PolarHBondContact O-N 3.06Å; L1819-E1822 CarbonylContact O-C 3.53Å; L1819-Q1823 HydrophobicContact CD1-CG 4.08Å; L1819-Q1823 HydrophobicContact CG-CG 4.13Å; L1819-Q1823 WeakPolarHBondContact O-CA 3.34Å; L1819-Q1823 WeakPolarHBondContact O-CB 3.28Å; L1819-Q1823 WeakPolarHBondContact O-CG 3.22Å; L1819-Q1823 PolarHBondContact O-N 2.95Å
1820R73.8Confident71.9Confident125 Ų12596 Ų9647%0.47248%0.475SS..Hα-helixtrans-87.7-21.2168.1178.7178.6160.8-125.8-16.3113.1S1816 D1817 E1818 Q1823 E1824S1816-R1820 WeakPolarHBondContact O-CB 3.4Å; S1816-R1820 PolarHBondContact O-N 3.38Å; S1816-R1820 VanDerWaalsContact O-N 3.1Å; D1817-R1820 CarbonylContact O-C 3.59Å; D1817-R1820 IonicContact OD1-NH1 3.55Å; E1818-R1820 PolarHBondContact O-N 2.73Å; R1820-Q1823 CarbonylContact O-C 3.3Å; R1820-E1824 HydrophobicContact CG-CG 3.95Å; R1820-E1824 IonicContact CZ-OE1 3.37Å; R1820-E1824 IonicContact NE-OE1 3.53Å; R1820-E1824 PolarHBondContact NE-OE1 2.89Å; R1820-E1824 IonicContact NH2-OE1 2.65Å; R1820-E1824 PolarHBondContact NH2-OE1 2.92Å; R1820-E1824 WeakPolarHBondContact O-CA 3.47Å; R1820-E1824 WeakPolarHBondContact O-CB 3.33Å; R1820-E1824 WeakPolarHBondContact O-CG 3.37Å; R1820-E1824 PolarHBondContact O-N 2.68Å
1821Q74.3Confident71.8Confident135 Ų13596.7 Ų96.763%0.63148%0.475SS*.Hα-helixtrans-73.7-35163.2-80.9172.425.600110.2D1817 E1818 H1825D1817-Q1821 VanDerWaalsContact O-CB 3.22Å; D1817-Q1821 WeakPolarHBondContact O-CB 3.46Å; D1817-Q1821 WeakPolarHBondContact O-CG 3.16Å; D1817-Q1821 PolarHBondContact O-N 3.16Å; E1818-Q1821 CarbonylContact O-C 3.48Å; E1818-Q1821 PolarHBondContact O-N 3.29Å; Q1821-H1825 WeakPolarHBondContact O-CA 3.2Å; Q1821-H1825 WeakPolarHBondContact O-CB 3.27Å; Q1821-H1825 PolarHBondContact O-N 3.1Å
1822E69.4Low71.9Confident123 Ų12397 Ų9758%0.57547%0.472SS*.Hα-helixtrans-80.2-24.4174.9-150.965-166.900111.8E1818 L1819 S1826E1818-E1822 VanDerWaalsContact O-CB 3.25Å; E1818-E1822 WeakPolarHBondContact O-CB 3.25Å; E1818-E1822 PolarHBondContact O-N 2.85Å; L1819-E1822 CarbonylContact O-C 3.53Å; E1822-S1826 WeakPolarHBondContact O-CA 3.46Å; E1822-S1826 WeakPolarHBondContact O-CB 3.44Å; E1822-S1826 PolarHBondContact O-N 3.04Å
1823Q69.2Low71.9Confident88 Ų8898.8 Ų98.841%0.41148%0.475SS..Hα-helixtrans-89.8-18.1167.2-74.4176.211.600112.9L1819 R1820 Q1827L1819-Q1823 HydrophobicContact CD1-CG 4.08Å; L1819-Q1823 HydrophobicContact CG-CG 4.13Å; L1819-Q1823 WeakPolarHBondContact O-CA 3.34Å; L1819-Q1823 WeakPolarHBondContact O-CB 3.28Å; L1819-Q1823 WeakPolarHBondContact O-CG 3.22Å; L1819-Q1823 PolarHBondContact O-N 2.95Å; R1820-Q1823 CarbonylContact O-C 3.3Å; Q1823-Q1827 VanDerWaalsContact O-CA 3.29Å; Q1823-Q1827 WeakPolarHBondContact O-CA 3.48Å; Q1823-Q1827 WeakPolarHBondContact O-CB 3.46Å; Q1823-Q1827 WeakPolarHBondContact O-CG 3.39Å; Q1823-Q1827 PolarHBondContact O-N 2.75Å
1824E73.9Confident71.7Confident95 Ų95100.5 Ų100.544%0.44448%0.477SS..Hα-helixtrans-86.4-24.9165.7-76.1177.6-176.700109.7R1820 Y1828R1820-E1824 HydrophobicContact CG-CG 3.95Å; R1820-E1824 IonicContact CZ-OE1 3.37Å; R1820-E1824 IonicContact NE-OE1 3.53Å; R1820-E1824 PolarHBondContact NE-OE1 2.89Å; R1820-E1824 IonicContact NH2-OE1 2.65Å; R1820-E1824 PolarHBondContact NH2-OE1 2.92Å; R1820-E1824 WeakPolarHBondContact O-CA 3.47Å; R1820-E1824 WeakPolarHBondContact O-CB 3.33Å; R1820-E1824 WeakPolarHBondContact O-CG 3.37Å; R1820-E1824 PolarHBondContact O-N 2.68Å; E1824-Y1828 WeakPolarHBondContact O-CA 3.43Å; E1824-Y1828 WeakPolarHBondContact O-CB 3.26Å; E1824-Y1828 PolarHBondContact O-N 2.86Å
1825H72.2Confident71.5Confident98 Ų9895.9 Ų95.945%0.45447%0.468SS..Hα-helixtrans-78.6-41167.1-167.176.5000110.7Q1821 Y1828 L1829Q1821-H1825 WeakPolarHBondContact O-CA 3.2Å; Q1821-H1825 WeakPolarHBondContact O-CB 3.27Å; Q1821-H1825 PolarHBondContact O-N 3.1Å; H1825-Y1828 CarbonylContact O-C 3.43Å; H1825-Y1828 PolarHBondContact O-N 2.89Å; H1825-L1829 VanDerWaalsContact O-CB 3.3Å; H1825-L1829 WeakPolarHBondContact O-CB 3.3Å; H1825-L1829 VanDerWaalsContact O-CG 3.27Å; H1825-L1829 WeakPolarHBondContact O-CG 2.94Å; H1825-L1829 PolarHBondContact O-N 2.9Å
1826S70.1Confident71.5Confident67 Ų6794.5 Ų94.547%0.46946%0.46SS..Hα-helixtrans-71.1-41.6171-174.50000111.1E1822 Y1828 L1829 E1830E1822-S1826 WeakPolarHBondContact O-CA 3.46Å; E1822-S1826 WeakPolarHBondContact O-CB 3.44Å; E1822-S1826 PolarHBondContact O-N 3.04Å; S1826-Y1828 VanDerWaalsContact C-N 3.27Å; S1826-Y1828 PolarHBondContact O-N 2.91Å; S1826-L1829 CarbonylContact O-C 3.6Å; S1826-L1829 PolarHBondContact O-N 2.8Å; S1826-E1830 WeakPolarHBondContact O-CA 3.09Å; S1826-E1830 WeakPolarHBondContact O-CB 3.43Å; S1826-E1830 PolarHBondContact O-N 2.93Å
1827Q71.6Confident71.3Confident88 Ų8895.7 Ų95.741%0.41146%0.459SS..Hα-helixtrans-71.3-16.7167.7-68.8169.342.700112.7Q1823 Q1831Q1823-Q1827 VanDerWaalsContact O-CA 3.29Å; Q1823-Q1827 WeakPolarHBondContact O-CA 3.48Å; Q1823-Q1827 WeakPolarHBondContact O-CB 3.46Å; Q1823-Q1827 WeakPolarHBondContact O-CG 3.39Å; Q1823-Q1827 PolarHBondContact O-N 2.75Å; Q1827-Q1831 WeakPolarHBondContact O-CA 3.38Å; Q1827-Q1831 WeakPolarHBondContact O-CB 3.2Å; Q1827-Q1831 WeakPolarHBondContact O-CG 3.31Å; Q1827-Q1831 PolarHBondContact O-N 3.14Å
1828Y74.9Confident71.2Confident139 Ų13996.1 Ų96.155%0.54546%0.459SS..Hα-helixtrans-81.2-34.4166.8177.8-107.4000110.6E1824 H1825 S1826 E1830 K1832E1824-Y1828 WeakPolarHBondContact O-CA 3.43Å; E1824-Y1828 WeakPolarHBondContact O-CB 3.26Å; E1824-Y1828 PolarHBondContact O-N 2.86Å; H1825-Y1828 CarbonylContact O-C 3.43Å; H1825-Y1828 PolarHBondContact O-N 2.89Å; S1826-Y1828 VanDerWaalsContact C-N 3.27Å; S1826-Y1828 PolarHBondContact O-N 2.91Å; Y1828-E1830 VanDerWaalsContact C-N 3.29Å; Y1828-K1832 HydrophobicContact CE1-CD 4.47Å; Y1828-K1832 WeakPolarHBondContact O-CA 3.48Å; Y1828-K1832 WeakPolarHBondContact O-CB 3.45Å; Y1828-K1832 PolarHBondContact O-N 2.75Å
1829L71.6Confident71.3Confident79 Ų7997.3 Ų97.341%0.41446%0.464SS..Hα-helixtrans-75.1-18169.7-73173.1000112.4H1825 S1826 N1833H1825-L1829 VanDerWaalsContact O-CB 3.3Å; H1825-L1829 WeakPolarHBondContact O-CB 3.3Å; H1825-L1829 VanDerWaalsContact O-CG 3.27Å; H1825-L1829 WeakPolarHBondContact O-CG 2.94Å; H1825-L1829 PolarHBondContact O-N 2.9Å; S1826-L1829 CarbonylContact O-C 3.6Å; S1826-L1829 PolarHBondContact O-N 2.8Å; L1829-N1833 WeakPolarHBondContact O-CA 3.46Å; L1829-N1833 WeakPolarHBondContact O-CB 3.05Å; L1829-N1833 PolarHBondContact O-N 2.64Å; L1829-N1833 PolarHBondContact O-ND2 3.23Å
1830E68.5Low71.1Confident85 Ų8596.3 Ų96.340%0.39746%0.462SS..Hα-helixtrans-109.4-13.8-179.7-160.1-132-149.900111.2S1826 Y1828 K1834S1826-E1830 WeakPolarHBondContact O-CA 3.09Å; S1826-E1830 WeakPolarHBondContact O-CB 3.43Å; S1826-E1830 PolarHBondContact O-N 2.93Å; Y1828-E1830 VanDerWaalsContact C-N 3.29Å; E1830-K1834 VanDerWaalsContact CD-CE 3.48Å; E1830-K1834 HydrophobicContact CG-CD 4.47Å; E1830-K1834 WeakPolarHBondContact O-CA 3.24Å; E1830-K1834 WeakPolarHBondContact O-CB 3.32Å; E1830-K1834 VanDerWaalsContact O-CD 3.3Å; E1830-K1834 WeakPolarHBondContact O-CD 3.34Å; E1830-K1834 WeakPolarHBondContact O-CG 3.33Å; E1830-K1834 PolarHBondContact O-N 3.11Å; E1830-K1834 WeakPolarHBondContact OE1-CE 3.23Å; E1830-K1834 IonicContact OE1-NZ 3.19Å; E1830-K1834 PolarHBondContact OE1-NZ 3.45Å; E1830-K1834 WeakPolarHBondContact OE2-CE 3.2Å; E1830-K1834 IonicContact OE2-NZ 3.62Å; E1830-K1834 PolarHBondContact OE2-NZ 3Å
1831Q73.2Confident70.9Confident126 Ų12695.4 Ų95.459%0.58946%0.459SS*.Hα-helixtrans-86.4-24153.6-75-179.521.200110.9Q1827 K1834 S1835Q1827-Q1831 WeakPolarHBondContact O-CA 3.38Å; Q1827-Q1831 WeakPolarHBondContact O-CB 3.2Å; Q1827-Q1831 WeakPolarHBondContact O-CG 3.31Å; Q1827-Q1831 PolarHBondContact O-N 3.14Å; Q1831-K1834 CarbonylContact O-C 3.19Å; Q1831-S1835 VanDerWaalsContact O-CA 3.32Å; Q1831-S1835 WeakPolarHBondContact O-CA 3.4Å; Q1831-S1835 WeakPolarHBondContact O-CB 3.24Å; Q1831-S1835 PolarHBondContact O-N 3.21Å
1832K73.1Confident70.7Confident103 Ų10392.7 Ų92.745%0.44845%0.449SS..Hα-helixtrans-83.2-32168-168.6173.4-176.7-178.80110.5Y1828 S1835 L1836Y1828-K1832 HydrophobicContact CE1-CD 4.47Å; Y1828-K1832 WeakPolarHBondContact O-CA 3.48Å; Y1828-K1832 WeakPolarHBondContact O-CB 3.45Å; Y1828-K1832 PolarHBondContact O-N 2.75Å; K1832-S1835 CarbonylContact O-C 3.41Å; K1832-S1835 PolarHBondContact O-N 2.67Å; K1832-L1836 HydrophobicContact CG-CD1 4.22Å; K1832-L1836 WeakPolarHBondContact O-CA 3.16Å; K1832-L1836 WeakPolarHBondContact O-CB 3.42Å; K1832-L1836 WeakPolarHBondContact O-CD1 3.23Å; K1832-L1836 WeakPolarHBondContact O-CG 3.39Å; K1832-L1836 PolarHBondContact O-N 2.88Å
1833N70.7Confident70.5Confident90 Ų9092.1 Ų92.148%0.48145%0.449SS..Hα-helixtrans-78-29.6163.5-73-13.3000112L1829 S1835 L1836 E1837L1829-N1833 WeakPolarHBondContact O-CA 3.46Å; L1829-N1833 WeakPolarHBondContact O-CB 3.05Å; L1829-N1833 PolarHBondContact O-N 2.64Å; L1829-N1833 PolarHBondContact O-ND2 3.23Å; N1833-S1835 VanDerWaalsContact C-N 3.34Å; N1833-L1836 CarbonylContact O-C 2.91Å; N1833-L1836 PolarHBondContact O-N 3.42Å; N1833-E1837 VanDerWaalsContact O-CA 3.31Å; N1833-E1837 WeakPolarHBondContact O-CA 3.47Å; N1833-E1837 WeakPolarHBondContact O-CB 3.14Å; N1833-E1837 WeakPolarHBondContact O-CG 2.87Å; N1833-E1837 PolarHBondContact O-N 3.26Å
1834K71.1Confident70.1Confident97 Ų9792.8 Ų92.842%0.42245%0.452SS..Hα-helixtrans-77.6-17.3165.6-73163.1-174.4159.30112.7E1830 Q1831 Q1838E1830-K1834 VanDerWaalsContact CD-CE 3.48Å; E1830-K1834 HydrophobicContact CG-CD 4.47Å; E1830-K1834 WeakPolarHBondContact O-CA 3.24Å; E1830-K1834 WeakPolarHBondContact O-CB 3.32Å; E1830-K1834 VanDerWaalsContact O-CD 3.3Å; E1830-K1834 WeakPolarHBondContact O-CD 3.34Å; E1830-K1834 WeakPolarHBondContact O-CG 3.33Å; E1830-K1834 PolarHBondContact O-N 3.11Å; E1830-K1834 WeakPolarHBondContact OE1-CE 3.23Å; E1830-K1834 IonicContact OE1-NZ 3.19Å; E1830-K1834 PolarHBondContact OE1-NZ 3.45Å; E1830-K1834 WeakPolarHBondContact OE2-CE 3.2Å; E1830-K1834 IonicContact OE2-NZ 3.62Å; E1830-K1834 PolarHBondContact OE2-NZ 3Å; Q1831-K1834 CarbonylContact O-C 3.19Å; K1834-Q1838 VanDerWaalsContact O-CA 3.3Å; K1834-Q1838 WeakPolarHBondContact O-CA 3.42Å; K1834-Q1838 WeakPolarHBondContact O-CB 3.49Å; K1834-Q1838 PolarHBondContact O-N 3.09Å
1835S70Confident69.7Low55 Ų5591.4 Ų91.439%0.38545%0.45SS..Hα-helixtrans-88.5-23.1168.5-175.40000111.4Q1831 K1832 N1833 Q1839Q1831-S1835 VanDerWaalsContact O-CA 3.32Å; Q1831-S1835 WeakPolarHBondContact O-CA 3.4Å; Q1831-S1835 WeakPolarHBondContact O-CB 3.24Å; Q1831-S1835 PolarHBondContact O-N 3.21Å; K1832-S1835 CarbonylContact O-C 3.41Å; K1832-S1835 PolarHBondContact O-N 2.67Å; N1833-S1835 VanDerWaalsContact C-N 3.34Å; S1835-Q1839 WeakPolarHBondContact O-CA 3.34Å; S1835-Q1839 WeakPolarHBondContact O-CB 3.46Å; S1835-Q1839 VanDerWaalsContact O-CD 3.31Å; S1835-Q1839 WeakPolarHBondContact O-CG 3.47Å; S1835-Q1839 PolarHBondContact O-N 3.07Å
1836L69.1Low69.5Low82 Ų8291.6 Ų91.643%0.42945%0.454SS..Hα-helixtrans-88-22.7168.3-72.4167.6000111.9K1832 N1833 T1840K1832-L1836 HydrophobicContact CG-CD1 4.22Å; K1832-L1836 WeakPolarHBondContact O-CA 3.16Å; K1832-L1836 WeakPolarHBondContact O-CB 3.42Å; K1832-L1836 WeakPolarHBondContact O-CD1 3.23Å; K1832-L1836 WeakPolarHBondContact O-CG 3.39Å; K1832-L1836 PolarHBondContact O-N 2.88Å; N1833-L1836 CarbonylContact O-C 2.91Å; N1833-L1836 PolarHBondContact O-N 3.42Å; L1836-T1840 WeakPolarHBondContact O-CA 3.33Å; L1836-T1840 WeakPolarHBondContact O-CB 3.26Å; L1836-T1840 PolarHBondContact O-N 3.39Å; L1836-T1840 PolarHBondContact O-OG1 2.89Å
1837E67.4Low68.9Low87 Ų8794.7 Ų94.741%0.40746%0.459SS..Hα-helixtrans-89.7-19.2167-74.1-176173.100111.2N1833 R1841N1833-E1837 VanDerWaalsContact O-CA 3.31Å; N1833-E1837 WeakPolarHBondContact O-CA 3.47Å; N1833-E1837 WeakPolarHBondContact O-CB 3.14Å; N1833-E1837 WeakPolarHBondContact O-CG 2.87Å; N1833-E1837 PolarHBondContact O-N 3.26Å; E1837-R1841 VanDerWaalsContact O-CA 3.3Å; E1837-R1841 WeakPolarHBondContact O-CA 3.28Å; E1837-R1841 WeakPolarHBondContact O-CB 3.34Å; E1837-R1841 WeakPolarHBondContact O-CG 3.2Å; E1837-R1841 PolarHBondContact O-N 3.34Å; E1837-R1841 IonicContact OE1-NH2 3.1Å; E1837-R1841 IonicContact OE2-CZ 2.69Å; E1837-R1841 IonicContact OE2-NH1 2.69Å; E1837-R1841 PolarHBondContact OE2-NH1 2.81Å; E1837-R1841 IonicContact OE2-NH2 2.8Å; E1837-R1841 PolarHBondContact OE2-NH2 2.99Å
1838Q71.9Confident68.3Low88 Ų8896.4 Ų96.441%0.41147%0.467SS..Hα-helixtrans-92.6-24166-161.368.338.300110.2K1834 D1842K1834-Q1838 VanDerWaalsContact O-CA 3.3Å; K1834-Q1838 WeakPolarHBondContact O-CA 3.42Å; K1834-Q1838 WeakPolarHBondContact O-CB 3.49Å; K1834-Q1838 PolarHBondContact O-N 3.09Å; Q1838-D1842 PolarHBondContact NE2-OD1 2.88Å; Q1838-D1842 VanDerWaalsContact O-CA 3.32Å; Q1838-D1842 WeakPolarHBondContact O-CA 3.37Å; Q1838-D1842 WeakPolarHBondContact O-CB 3.39Å; Q1838-D1842 PolarHBondContact O-N 2.89Å
1839Q70.6Confident67.8Low102 Ų10295.7 Ų95.748%0.47747%0.469SS..Hα-helixtrans-74.3-31.5158.6-73.1165.712.100110.9S1835 L1843S1835-Q1839 WeakPolarHBondContact O-CA 3.34Å; S1835-Q1839 WeakPolarHBondContact O-CB 3.46Å; S1835-Q1839 VanDerWaalsContact O-CD 3.31Å; S1835-Q1839 WeakPolarHBondContact O-CG 3.47Å; S1835-Q1839 PolarHBondContact O-N 3.07Å; Q1839-L1843 WeakPolarHBondContact O-CA 3.39Å; Q1839-L1843 WeakPolarHBondContact O-CB 3.49Å; Q1839-L1843 WeakPolarHBondContact O-CD1 3.43Å; Q1839-L1843 WeakPolarHBondContact O-CG 3.5Å; Q1839-L1843 PolarHBondContact O-N 3.28Å
1840T65.6Low67.2Low71 Ų7195.9 Ų95.944%0.43647%0.473SS..Hα-helixtrans-79.5-33.5171.6-61.10000111.5L1836 L1843 Q1844L1836-T1840 WeakPolarHBondContact O-CA 3.33Å; L1836-T1840 WeakPolarHBondContact O-CB 3.26Å; L1836-T1840 PolarHBondContact O-N 3.39Å; L1836-T1840 PolarHBondContact O-OG1 2.89Å; T1840-L1843 CarbonylContact O-C 3.55Å; T1840-Q1844 HydrophobicContact CG2-CG 4.16Å; T1840-Q1844 WeakPolarHBondContact O-CA 3.32Å; T1840-Q1844 WeakPolarHBondContact O-CB 3.41Å; T1840-Q1844 WeakPolarHBondContact O-CG 3.13Å; T1840-Q1844 PolarHBondContact O-N 2.83Å; T1840-Q1844 PolarHBondContact O-OE1 3.05Å
1841R70.8Confident66.4Low106 Ų10695.8 Ų95.840%0.447%0.473SS..Hα-helixtrans-72.9-38169.6-76.4173.1-162.4104.110.7111.2E1837 Q1844 T1845E1837-R1841 VanDerWaalsContact O-CA 3.3Å; E1837-R1841 WeakPolarHBondContact O-CA 3.28Å; E1837-R1841 WeakPolarHBondContact O-CB 3.34Å; E1837-R1841 WeakPolarHBondContact O-CG 3.2Å; E1837-R1841 PolarHBondContact O-N 3.34Å; E1837-R1841 IonicContact OE1-NH2 3.1Å; E1837-R1841 IonicContact OE2-CZ 2.69Å; E1837-R1841 IonicContact OE2-NH1 2.69Å; E1837-R1841 PolarHBondContact OE2-NH1 2.81Å; E1837-R1841 IonicContact OE2-NH2 2.8Å; E1837-R1841 PolarHBondContact OE2-NH2 2.99Å; R1841-Q1844 CarbonylContact O-C 3.5Å; R1841-Q1844 PolarHBondContact O-N 3.46Å; R1841-T1845 WeakPolarHBondContact O-CA 3.46Å; R1841-T1845 WeakPolarHBondContact O-CB 3.28Å; R1841-T1845 PolarHBondContact O-N 3.06Å; R1841-T1845 PolarHBondContact O-OG1 3.26Å
1842D70.3Confident65.7Low78 Ų7894 Ų9442%0.41747%0.47SS..Hα-helixtrans-75.2-29.4173.3-65.8-13.5000110.5Q1838 L1846Q1838-D1842 PolarHBondContact NE2-OD1 2.88Å; Q1838-D1842 VanDerWaalsContact O-CA 3.32Å; Q1838-D1842 WeakPolarHBondContact O-CA 3.37Å; Q1838-D1842 WeakPolarHBondContact O-CB 3.39Å; Q1838-D1842 PolarHBondContact O-N 2.89Å; D1842-L1846 WeakPolarHBondContact O-CA 3.35Å; D1842-L1846 WeakPolarHBondContact O-CB 3.45Å; D1842-L1846 WeakPolarHBondContact O-CD1 3.39Å; D1842-L1846 PolarHBondContact O-N 2.81Å
1843L64Low64.9Low111 Ų11194.4 Ų94.458%0.58148%0.478SS*.Hα-helixtrans-75.6-23.5167.4-74.5168.1000112.4Q1839 T1840 L1846 F1847Q1839-L1843 WeakPolarHBondContact O-CA 3.39Å; Q1839-L1843 WeakPolarHBondContact O-CB 3.49Å; Q1839-L1843 WeakPolarHBondContact O-CD1 3.43Å; Q1839-L1843 WeakPolarHBondContact O-CG 3.5Å; Q1839-L1843 PolarHBondContact O-N 3.28Å; T1840-L1843 CarbonylContact O-C 3.55Å; L1843-L1846 CarbonylContact O-C 3.39Å; L1843-F1847 WeakPolarHBondContact O-CA 3.43Å; L1843-F1847 WeakPolarHBondContact O-CB 3.35Å; L1843-F1847 PolarHBondContact O-N 3.29Å
1844Q61.1Low64Low102 Ų10291.2 Ų91.248%0.47746%0.462SS..Hα-helixtrans-83.9-26170.1-80.1167.5-34.900111.7T1840 R1841 F1847 E1848T1840-Q1844 HydrophobicContact CG2-CG 4.16Å; T1840-Q1844 WeakPolarHBondContact O-CA 3.32Å; T1840-Q1844 WeakPolarHBondContact O-CB 3.41Å; T1840-Q1844 WeakPolarHBondContact O-CG 3.13Å; T1840-Q1844 PolarHBondContact O-N 2.83Å; T1840-Q1844 PolarHBondContact O-OE1 3.05Å; R1841-Q1844 CarbonylContact O-C 3.5Å; R1841-Q1844 PolarHBondContact O-N 3.46Å; Q1844-F1847 VanDerWaalsContact C-N 3.3Å; Q1844-F1847 CarbonylContact O-C 3.35Å; Q1844-F1847 WeakPolarHBondContact O-CA 3.25Å; Q1844-F1847 PolarHBondContact O-N 3.43Å; Q1844-E1848 WeakPolarHBondContact O-CA 3.42Å; Q1844-E1848 WeakPolarHBondContact O-CB 3.06Å; Q1844-E1848 WeakPolarHBondContact O-CG 3.19Å; Q1844-E1848 PolarHBondContact O-N 3.48Å
1845T66.8Low63.1Low66 Ų6690.5 Ų90.541%0.40547%0.466SS..Hα-helixtrans-88.1-28.9175.4-48.80000108.8R1841 E1849R1841-T1845 WeakPolarHBondContact O-CA 3.46Å; R1841-T1845 WeakPolarHBondContact O-CB 3.28Å; R1841-T1845 PolarHBondContact O-N 3.06Å; R1841-T1845 PolarHBondContact O-OG1 3.26Å; T1845-E1849 WeakPolarHBondContact O-CA 3.39Å; T1845-E1849 WeakPolarHBondContact O-CB 3.45Å; T1845-E1849 VanDerWaalsContact O-CG 3.31Å; T1845-E1849 WeakPolarHBondContact O-CG 3.5Å; T1845-E1849 PolarHBondContact O-N 3.44Å
1846L66.6Low62.2Low101 Ų10197.5 Ų97.553%0.52948%0.484SS..Hα-helixtrans-71.6-32.5153.7-90.876.6000110.7D1842 L1843 E1848 T1850D1842-L1846 WeakPolarHBondContact O-CA 3.35Å; D1842-L1846 WeakPolarHBondContact O-CB 3.45Å; D1842-L1846 WeakPolarHBondContact O-CD1 3.39Å; D1842-L1846 PolarHBondContact O-N 2.81Å; L1843-L1846 CarbonylContact O-C 3.39Å; L1846-E1848 VanDerWaalsContact C-N 3.27Å; L1846-E1848 PolarHBondContact O-N 2.99Å; L1846-T1850 VanDerWaalsContact O-CA 3.24Å; L1846-T1850 WeakPolarHBondContact O-CA 3.47Å; L1846-T1850 WeakPolarHBondContact O-CB 3.49Å; L1846-T1850 WeakPolarHBondContact O-CG2 3.34Å; L1846-T1850 PolarHBondContact O-N 3.03Å; L1846-T1850 PolarHBondContact O-OG1 3.08Å
1847F56.9Low61.7Low132 Ų13295.5 Ų95.558%0.57948%0.483SS*.Hα-helixtrans-69.1-30.3174.3-136.9-95.8000110.7L1843 Q1844 T1850 E1851L1843-F1847 WeakPolarHBondContact O-CA 3.43Å; L1843-F1847 WeakPolarHBondContact O-CB 3.35Å; L1843-F1847 PolarHBondContact O-N 3.29Å; Q1844-F1847 VanDerWaalsContact C-N 3.3Å; Q1844-F1847 CarbonylContact O-C 3.35Å; Q1844-F1847 WeakPolarHBondContact O-CA 3.25Å; Q1844-F1847 PolarHBondContact O-N 3.43Å; F1847-T1850 CarbonylContact O-C 3.57Å; F1847-E1851 HydrophobicContact CD1-CG 4Å; F1847-E1851 HydrophobicContact CE1-CG 4.33Å; F1847-E1851 VanDerWaalsContact O-CA 3.24Å; F1847-E1851 WeakPolarHBondContact O-CA 3.28Å; F1847-E1851 WeakPolarHBondContact O-CB 3.21Å; F1847-E1851 WeakPolarHBondContact O-CG 3.13Å; F1847-E1851 PolarHBondContact O-N 2.72Å
1848E59.8Low60.7Low124 Ų12492.8 Ų92.858%0.57947%0.47SS*.Hα-helixtrans-90.3-40-179.5-78.8176.5-166.900112Q1844 L1846 T1850 E1851 V1852Q1844-E1848 WeakPolarHBondContact O-CA 3.42Å; Q1844-E1848 WeakPolarHBondContact O-CB 3.06Å; Q1844-E1848 WeakPolarHBondContact O-CG 3.19Å; Q1844-E1848 PolarHBondContact O-N 3.48Å; L1846-E1848 VanDerWaalsContact C-N 3.27Å; L1846-E1848 PolarHBondContact O-N 2.99Å; E1848-T1850 VanDerWaalsContact C-N 3.34Å; E1848-E1851 VanDerWaalsContact C-N 3.32Å; E1848-E1851 CarbonylContact O-C 3.55Å; E1848-E1851 VanDerWaalsContact O-C 3.29Å; E1848-E1851 WeakPolarHBondContact O-CA 3.37Å; E1848-E1851 PolarHBondContact O-N 3.04Å; E1848-V1852 VanDerWaalsContact O-CB 3.28Å; E1848-V1852 WeakPolarHBondContact O-CB 3.22Å; E1848-V1852 VanDerWaalsContact O-CG2 3.25Å; E1848-V1852 WeakPolarHBondContact O-CG2 3.39Å; E1848-V1852 PolarHBondContact O-N 3.31Å
1849E63.6Low59.6Low124 Ų12491.7 Ų91.758%0.57948%0.476SS*.Hα-helixtrans-67.9-36.6166.5-74.2-157.9147.700110.6T1845 E1851 N1853T1845-E1849 WeakPolarHBondContact O-CA 3.39Å; T1845-E1849 WeakPolarHBondContact O-CB 3.45Å; T1845-E1849 VanDerWaalsContact O-CG 3.31Å; T1845-E1849 WeakPolarHBondContact O-CG 3.5Å; T1845-E1849 PolarHBondContact O-N 3.44Å; E1849-E1851 VanDerWaalsContact C-N 3.29Å; E1849-N1853 WeakPolarHBondContact O-CA 3.3Å; E1849-N1853 WeakPolarHBondContact O-CB 3.34Å; E1849-N1853 PolarHBondContact O-N 2.84Å; E1849-N1853 PolarHBondContact O-ND2 3Å
1850T59.5Low58.9Low83 Ų8394.6 Ų94.651%0.50949%0.487SS..Hα-helixtrans-85.211.2163.580.50000113.5L1846 F1847 E1848 S1854L1846-T1850 VanDerWaalsContact O-CA 3.24Å; L1846-T1850 WeakPolarHBondContact O-CA 3.47Å; L1846-T1850 WeakPolarHBondContact O-CB 3.49Å; L1846-T1850 WeakPolarHBondContact O-CG2 3.34Å; L1846-T1850 PolarHBondContact O-N 3.03Å; L1846-T1850 PolarHBondContact O-OG1 3.08Å; F1847-T1850 CarbonylContact O-C 3.57Å; E1848-T1850 VanDerWaalsContact C-N 3.34Å; T1850-S1854 WeakPolarHBondContact O-CB 3.39Å; T1850-S1854 PolarHBondContact O-N 2.85Å
1851E53Low58.3Low83 Ų8395.5 Ų95.539%0.38848%0.483SS..Hα-helixtrans-109.5-8.8160.2-89.4-155.1124.500112.4F1847 E1848 E1849 V1855 K1858F1847-E1851 HydrophobicContact CD1-CG 4Å; F1847-E1851 HydrophobicContact CE1-CG 4.33Å; F1847-E1851 VanDerWaalsContact O-CA 3.24Å; F1847-E1851 WeakPolarHBondContact O-CA 3.28Å; F1847-E1851 WeakPolarHBondContact O-CB 3.21Å; F1847-E1851 WeakPolarHBondContact O-CG 3.13Å; F1847-E1851 PolarHBondContact O-N 2.72Å; E1848-E1851 VanDerWaalsContact C-N 3.32Å; E1848-E1851 CarbonylContact O-C 3.55Å; E1848-E1851 VanDerWaalsContact O-C 3.29Å; E1848-E1851 WeakPolarHBondContact O-CA 3.37Å; E1848-E1851 PolarHBondContact O-N 3.04Å; E1849-E1851 VanDerWaalsContact C-N 3.29Å; E1851-V1855 WeakPolarHBondContact O-CA 3.45Å; E1851-V1855 WeakPolarHBondContact O-CB 3.3Å; E1851-V1855 WeakPolarHBondContact O-CG2 3.31Å; E1851-V1855 PolarHBondContact O-N 3.18Å; E1851-K1858 IonicContact OE1-NZ 2.74Å; E1851-K1858 PolarHBondContact OE1-NZ 2.9Å
1852V56.9Low57.5Low88 Ų8893.7 Ų93.753%0.53348%0.481SS..Hα-helixtrans-102.5-47.9172.8170.80000110.3E1848 S1854 V1855 R1856E1848-V1852 VanDerWaalsContact O-CB 3.28Å; E1848-V1852 WeakPolarHBondContact O-CB 3.22Å; E1848-V1852 VanDerWaalsContact O-CG2 3.25Å; E1848-V1852 WeakPolarHBondContact O-CG2 3.39Å; E1848-V1852 PolarHBondContact O-N 3.31Å; V1852-S1854 VanDerWaalsContact C-N 3.25Å; V1852-S1854 CarbonylContact O-C 3.56Å; V1852-V1855 PolarHBondContact O-N 2.72Å; V1852-R1856 PolarHBondContact O-N 3.3Å
1853N56.4Low57.1Low113 Ų11394.9 Ų94.960%0.60449%0.487SS*.Hα-helixtrans-71.8-23.7163.8-62.2-57000111.6E1849 G1857E1849-N1853 WeakPolarHBondContact O-CA 3.3Å; E1849-N1853 WeakPolarHBondContact O-CB 3.34Å; E1849-N1853 PolarHBondContact O-N 2.84Å; E1849-N1853 PolarHBondContact O-ND2 3Å; N1853-G1857 PolarHBondContact O-N 2.98Å; N1853-G1857 VanDerWaalsContact O-N 3.15Å
1854S52.4Low56.9Low23 Ų2395 Ų9516%0.16149%0.485CS..Hα-helixtrans-65.6-79.6147.3-158.20000109.4T1850 V1852 R1856 G1857 K1858T1850-S1854 WeakPolarHBondContact O-CB 3.39Å; T1850-S1854 PolarHBondContact O-N 2.85Å; V1852-S1854 VanDerWaalsContact C-N 3.25Å; V1852-S1854 CarbonylContact O-C 3.56Å; S1854-R1856 CarbonylContact O-C 3.57Å; S1854-R1856 WeakPolarHBondContact O-CA 3.39Å; S1854-R1856 PolarHBondContact O-N 3.06Å; S1854-G1857 CarbonylContact O-C 3.19Å; S1854-G1857 WeakPolarHBondContact O-CA 3.47Å; S1854-G1857 PolarHBondContact O-N 3.42Å; S1854-K1858 WeakPolarHBondContact O-CB 3.49Å; S1854-K1858 PolarHBondContact O-N 2.69Å; S1854-K1858 VanDerWaalsContact OG-CD 3.31Å; S1854-K1858 WeakPolarHBondContact OG-CD 3.21Å; S1854-K1858 WeakPolarHBondContact OG-CG 3.26Å
1855V52.1Low56.5Low82 Ų8292.5 Ų92.550%0.49747%0.474SS..Hα-helixtrans-30.4-42.7-170.2151.40000116.6E1851 V1852 K1858 A1859E1851-V1855 WeakPolarHBondContact O-CA 3.45Å; E1851-V1855 WeakPolarHBondContact O-CB 3.3Å; E1851-V1855 WeakPolarHBondContact O-CG2 3.31Å; E1851-V1855 PolarHBondContact O-N 3.18Å; V1852-V1855 PolarHBondContact O-N 2.72Å; V1855-K1858 VanDerWaalsContact CA-CB 3.41Å; V1855-K1858 HydrophobicContact CG2-CD 4.25Å; V1855-K1858 CarbonylContact O-C 2.83Å; V1855-K1858 VanDerWaalsContact O-C 3.23Å; V1855-K1858 WeakPolarHBondContact O-CB 3.31Å; V1855-A1859 PolarHBondContact O-N 3.42Å
1856R50.8Low56.5Low202 Ų20293 Ų9376%0.76247%0.472SS*.Hα-helixtrans-72.9-50.2166.9-69.9-178.2168.9175.8-2116.3V1852 S1854 K1858 A1859V1852-R1856 PolarHBondContact O-N 3.3Å; S1854-R1856 CarbonylContact O-C 3.57Å; S1854-R1856 WeakPolarHBondContact O-CA 3.39Å; S1854-R1856 PolarHBondContact O-N 3.06Å; R1856-K1858 PolarHBondContact O-N 3.27Å; R1856-A1859 WeakPolarHBondContact O-CB 3.4Å; R1856-A1859 PolarHBondContact O-N 3.17Å
1857G58.6Low56.6Low40 Ų4093.8 Ų93.841%0.41247%0.473SS..Hα-helixtrans-50.1-42.2161.200000113N1853 S1854 A1859 K1860 Y1861N1853-G1857 PolarHBondContact O-N 2.98Å; N1853-G1857 VanDerWaalsContact O-N 3.15Å; S1854-G1857 CarbonylContact O-C 3.19Å; S1854-G1857 WeakPolarHBondContact O-CA 3.47Å; S1854-G1857 PolarHBondContact O-N 3.42Å; G1857-A1859 PolarHBondContact O-N 2.79Å; G1857-K1860 CarbonylContact O-C 3.37Å; G1857-K1860 WeakPolarHBondContact O-CA 3.48Å; G1857-K1860 WeakPolarHBondContact O-CB 3.42Å; G1857-K1860 PolarHBondContact O-N 3.3Å; G1857-Y1861 PolarHBondContact O-N 2.98Å
1858K47Very low56.9Low29 Ų2992.1 Ų92.113%0.12647%0.465CS..Hα-helixtrans-62.4-9.6168.7-104.6174.2-178179.30113.9E1851 S1854 V1855 R1856 K1860 Y1861 I1862 L1865E1851-K1858 IonicContact OE1-NZ 2.74Å; E1851-K1858 PolarHBondContact OE1-NZ 2.9Å; S1854-K1858 WeakPolarHBondContact O-CB 3.49Å; S1854-K1858 PolarHBondContact O-N 2.69Å; S1854-K1858 VanDerWaalsContact OG-CD 3.31Å; S1854-K1858 WeakPolarHBondContact OG-CD 3.21Å; S1854-K1858 WeakPolarHBondContact OG-CG 3.26Å; V1855-K1858 VanDerWaalsContact CA-CB 3.41Å; V1855-K1858 HydrophobicContact CG2-CD 4.25Å; V1855-K1858 CarbonylContact O-C 2.83Å; V1855-K1858 VanDerWaalsContact O-C 3.23Å; V1855-K1858 WeakPolarHBondContact O-CB 3.31Å; R1856-K1858 PolarHBondContact O-N 3.27Å; K1858-K1860 PolarHBondContact O-N 2.94Å; K1858-K1860 VanDerWaalsContact O-N 3.11Å; K1858-Y1861 VanDerWaalsContact CA-N 3.34Å; K1858-Y1861 HydrophobicContact CG-CD1 4.45Å; K1858-I1862 VanDerWaalsContact CA-N 3.3Å; K1858-I1862 HydrophobicContact CB-CB 4.46Å; K1858-I1862 HydrophobicContact CB-CD1 4.05Å; K1858-I1862 HydrophobicContact CB-CG1 3.55Å; K1858-I1862 HydrophobicContact CD-CD1 4.24Å; K1858-I1862 HydrophobicContact CD-CG1 3.89Å; K1858-I1862 HydrophobicContact CG-CB 4.48Å; K1858-I1862 HydrophobicContact CG-CD1 4.22Å; K1858-I1862 HydrophobicContact CG-CG1 3.44Å; K1858-I1862 VanDerWaalsContact CG-CG1 3.44Å; K1858-I1862 VanDerWaalsContact O-CA 3.29Å; K1858-I1862 WeakPolarHBondContact O-CA 3.49Å; K1858-I1862 WeakPolarHBondContact O-CB 3.3Å; K1858-I1862 VanDerWaalsContact O-CG1 3.27Å; K1858-I1862 WeakPolarHBondContact O-CG1 3.45Å; K1858-I1862 PolarHBondContact O-N 2.9Å; K1858-L1865 HydrophobicContact CG-CD1 4.4Å
1859A49.2Very low56.9Low65 Ų6590.6 Ų90.654%0.53746%0.46SS..Hα-helixtrans-58-25.8157.500000110.6V1855 R1856 G1857 N1863V1855-A1859 PolarHBondContact O-N 3.42Å; R1856-A1859 WeakPolarHBondContact O-CB 3.4Å; R1856-A1859 PolarHBondContact O-N 3.17Å; G1857-A1859 PolarHBondContact O-N 2.79Å; A1859-N1863 PolarHBondContact O-ND2 2.89Å
1860K54.5Low57.3Low164 Ų16491.2 Ų91.271%0.71346%0.458SS*.Hα-helixtrans-114.7-31.8173.8-60.7177.1179.9177.20113G1857 K1858 N1863 Q1864G1857-K1860 CarbonylContact O-C 3.37Å; G1857-K1860 WeakPolarHBondContact O-CA 3.48Å; G1857-K1860 WeakPolarHBondContact O-CB 3.42Å; G1857-K1860 PolarHBondContact O-N 3.3Å; K1858-K1860 PolarHBondContact O-N 2.94Å; K1858-K1860 VanDerWaalsContact O-N 3.11Å; K1860-N1863 CarbonylContact O-C 3.56Å; K1860-N1863 WeakPolarHBondContact O-CB 3.31Å; K1860-N1863 PolarHBondContact O-N 3.31Å; K1860-Q1864 WeakPolarHBondContact O-CG 3.41Å; K1860-Q1864 PolarHBondContact O-N 3.45Å
1861Y53.4Low57.8Low90 Ų9090.5 Ų90.535%0.35345%0.451SS..Hα-helixtrans-85-5.8175-155.9-109.8000113.5G1857 K1858 Q1864 L1865 K1868G1857-Y1861 PolarHBondContact O-N 2.98Å; K1858-Y1861 VanDerWaalsContact CA-N 3.34Å; K1858-Y1861 HydrophobicContact CG-CD1 4.45Å; Y1861-Q1864 HydrophobicContact CD2-CB 4.16Å; Y1861-L1865 HydrophobicContact CD1-CD1 3.51Å; Y1861-L1865 HydrophobicContact CD1-CG 3.73Å; Y1861-L1865 HydrophobicContact CE1-CD1 3.6Å; Y1861-L1865 HydrophobicContact CE1-CD2 4.05Å; Y1861-L1865 HydrophobicContact CE1-CG 3.68Å; Y1861-L1865 HydrophobicContact CG-CG 4.4Å; Y1861-L1865 WeakPolarHBondContact O-CA 3.46Å; Y1861-L1865 WeakPolarHBondContact O-CB 3.48Å; Y1861-L1865 WeakPolarHBondContact O-CD1 3.39Å; Y1861-L1865 WeakPolarHBondContact O-CG 3.44Å; Y1861-L1865 PolarHBondContact O-N 3.46Å; Y1861-K1868 PolarHBondContact OH-NZ 2.92Å
1862I55Low58.3Low68 Ų6891.1 Ų91.135%0.34946%0.456SS..Hα-helixtrans-84.2-38.8155.3-64173.7000107.9K1858 Q1864 L1865 E1866K1858-I1862 VanDerWaalsContact CA-N 3.3Å; K1858-I1862 HydrophobicContact CB-CB 4.46Å; K1858-I1862 HydrophobicContact CB-CD1 4.05Å; K1858-I1862 HydrophobicContact CB-CG1 3.55Å; K1858-I1862 HydrophobicContact CD-CD1 4.24Å; K1858-I1862 HydrophobicContact CD-CG1 3.89Å; K1858-I1862 HydrophobicContact CG-CB 4.48Å; K1858-I1862 HydrophobicContact CG-CD1 4.22Å; K1858-I1862 HydrophobicContact CG-CG1 3.44Å; K1858-I1862 VanDerWaalsContact CG-CG1 3.44Å; K1858-I1862 VanDerWaalsContact O-CA 3.29Å; K1858-I1862 WeakPolarHBondContact O-CA 3.49Å; K1858-I1862 WeakPolarHBondContact O-CB 3.3Å; K1858-I1862 VanDerWaalsContact O-CG1 3.27Å; K1858-I1862 WeakPolarHBondContact O-CG1 3.45Å; K1858-I1862 PolarHBondContact O-N 2.9Å; I1862-Q1864 PolarHBondContact O-N 3.38Å; I1862-L1865 CarbonylContact O-C 3.4Å; I1862-L1865 PolarHBondContact O-N 2.98Å; I1862-L1865 VanDerWaalsContact O-N 3.16Å; I1862-E1866 HydrophobicContact CG2-CG 3.7Å; I1862-E1866 VanDerWaalsContact CG2-OE1 3.32Å; I1862-E1866 WeakPolarHBondContact CG2-OE1 3.24Å; I1862-E1866 WeakPolarHBondContact O-CA 3.32Å; I1862-E1866 WeakPolarHBondContact O-CB 3.49Å; I1862-E1866 VanDerWaalsContact O-CG 3.25Å; I1862-E1866 WeakPolarHBondContact O-CG 3.44Å; I1862-E1866 PolarHBondContact O-N 3.36Å
1863N62.4Low58.9Low103 Ų10392 Ų9255%0.55146%0.455SS*.Hα-helixtrans-57.8-39.8168.7-85-89.4000111.1A1859 K1860 Q1867A1859-N1863 PolarHBondContact O-ND2 2.89Å; K1860-N1863 CarbonylContact O-C 3.56Å; K1860-N1863 WeakPolarHBondContact O-CB 3.31Å; K1860-N1863 PolarHBondContact O-N 3.31Å; N1863-Q1867 WeakPolarHBondContact O-CB 3.38Å; N1863-Q1867 PolarHBondContact O-N 3.23Å
1864Q58.3Low59.7Low114 Ų11492.6 Ų92.653%0.53346%0.455SS..Hα-helixtrans-82.5-23173.1-64.2174.6-12.800114.5K1860 Y1861 I1862 K1868K1860-Q1864 WeakPolarHBondContact O-CG 3.41Å; K1860-Q1864 PolarHBondContact O-N 3.45Å; Y1861-Q1864 HydrophobicContact CD2-CB 4.16Å; I1862-Q1864 PolarHBondContact O-N 3.38Å; Q1864-K1868 VanDerWaalsContact O-CB 3.22Å; Q1864-K1868 WeakPolarHBondContact O-CB 3.47Å; Q1864-K1868 VanDerWaalsContact O-CG 3.22Å; Q1864-K1868 WeakPolarHBondContact O-CG 3.37Å; Q1864-K1868 PolarHBondContact O-N 2.79Å
1865L53.4Low60.4Low48 Ų4897.7 Ų97.725%0.25148%0.476SS..Hα-helixtrans-86.2-7.2168.1-75169.7000113.1K1858 Y1861 I1862 K1868 L1869K1858-L1865 HydrophobicContact CG-CD1 4.4Å; Y1861-L1865 HydrophobicContact CD1-CD1 3.51Å; Y1861-L1865 HydrophobicContact CD1-CG 3.73Å; Y1861-L1865 HydrophobicContact CE1-CD1 3.6Å; Y1861-L1865 HydrophobicContact CE1-CD2 4.05Å; Y1861-L1865 HydrophobicContact CE1-CG 3.68Å; Y1861-L1865 HydrophobicContact CG-CG 4.4Å; Y1861-L1865 WeakPolarHBondContact O-CA 3.46Å; Y1861-L1865 WeakPolarHBondContact O-CB 3.48Å; Y1861-L1865 WeakPolarHBondContact O-CD1 3.39Å; Y1861-L1865 WeakPolarHBondContact O-CG 3.44Å; Y1861-L1865 PolarHBondContact O-N 3.46Å; I1862-L1865 CarbonylContact O-C 3.4Å; I1862-L1865 PolarHBondContact O-N 2.98Å; I1862-L1865 VanDerWaalsContact O-N 3.16Å; L1865-K1868 HydrophobicContact CD2-CB 4.39Å; L1865-K1868 HydrophobicContact CD2-CD 4.29Å; L1865-K1868 CarbonylContact O-C 3.56Å; L1865-L1869 VanDerWaalsContact O-CA 3.26Å; L1865-L1869 WeakPolarHBondContact O-CA 3.33Å; L1865-L1869 WeakPolarHBondContact O-CB 3.44Å; L1865-L1869 VanDerWaalsContact O-CD1 3.26Å; L1865-L1869 WeakPolarHBondContact O-CD1 3.48Å; L1865-L1869 WeakPolarHBondContact O-CG 3.39Å; L1865-L1869 PolarHBondContact O-N 2.68Å
1866E65.8Low60.9Low78 Ų7898 Ų9836%0.36448%0.475SS..Hα-helixtrans-94-32.6168.2-83178.3-155.500110I1862 R1870I1862-E1866 HydrophobicContact CG2-CG 3.7Å; I1862-E1866 VanDerWaalsContact CG2-OE1 3.32Å; I1862-E1866 WeakPolarHBondContact CG2-OE1 3.24Å; I1862-E1866 WeakPolarHBondContact O-CA 3.32Å; I1862-E1866 WeakPolarHBondContact O-CB 3.49Å; I1862-E1866 VanDerWaalsContact O-CG 3.25Å; I1862-E1866 WeakPolarHBondContact O-CG 3.44Å; I1862-E1866 PolarHBondContact O-N 3.36Å; E1866-R1870 VanDerWaalsContact O-CB 3.27Å; E1866-R1870 WeakPolarHBondContact O-CB 3.45Å; E1866-R1870 VanDerWaalsContact O-CG 3.3Å; E1866-R1870 WeakPolarHBondContact O-CG 3.33Å; E1866-R1870 PolarHBondContact O-N 3.25Å; E1866-R1870 PolarHBondContact O-NE 3.48Å; E1866-R1870 IonicContact OE2-NH2 3Å; E1866-R1870 PolarHBondContact OE2-NH2 3.41Å
1867Q70.1Confident61.8Low117 Ų11791.9 Ų91.955%0.54746%0.457SS..Hα-helixtrans-62.5-55.5161.2-161.175.149.900108.1N1863 L1869 R1870 D1871N1863-Q1867 WeakPolarHBondContact O-CB 3.38Å; N1863-Q1867 PolarHBondContact O-N 3.23Å; Q1867-L1869 VanDerWaalsContact C-N 3.33Å; Q1867-L1869 PolarHBondContact O-N 3.34Å; Q1867-R1870 CarbonylContact O-C 3.54Å; Q1867-R1870 PolarHBondContact O-N 3.46Å; Q1867-R1870 VanDerWaalsContact O-N 3.14Å; Q1867-D1871 VanDerWaalsContact O-CG 3.22Å; Q1867-D1871 PolarHBondContact O-N 2.89Å
1868K62.8Low62.4Low96 Ų9692.3 Ų92.342%0.41745%0.454SS..Hα-helixtrans-68.9-19.9173.5-68.3175.5178.9-178.30114.3Y1861 Q1864 L1865 L1872Y1861-K1868 PolarHBondContact OH-NZ 2.92Å; Q1864-K1868 VanDerWaalsContact O-CB 3.22Å; Q1864-K1868 WeakPolarHBondContact O-CB 3.47Å; Q1864-K1868 VanDerWaalsContact O-CG 3.22Å; Q1864-K1868 WeakPolarHBondContact O-CG 3.37Å; Q1864-K1868 PolarHBondContact O-N 2.79Å; L1865-K1868 HydrophobicContact CD2-CB 4.39Å; L1865-K1868 HydrophobicContact CD2-CD 4.29Å; L1865-K1868 CarbonylContact O-C 3.56Å; K1868-L1872 WeakPolarHBondContact O-CA 3.39Å; K1868-L1872 WeakPolarHBondContact O-CB 3.46Å; K1868-L1872 WeakPolarHBondContact O-CD1 3.5Å; K1868-L1872 WeakPolarHBondContact O-CG 3.3Å; K1868-L1872 PolarHBondContact O-N 2.82Å
1869L59.1Low62.9Low92 Ų9293 Ų9348%0.48247%0.465SS..Hα-helixtrans-77.8-36.4168.6-108.1132.8000109.3L1865 Q1867 D1871 L1872 E1873L1865-L1869 VanDerWaalsContact O-CA 3.26Å; L1865-L1869 WeakPolarHBondContact O-CA 3.33Å; L1865-L1869 WeakPolarHBondContact O-CB 3.44Å; L1865-L1869 VanDerWaalsContact O-CD1 3.26Å; L1865-L1869 WeakPolarHBondContact O-CD1 3.48Å; L1865-L1869 WeakPolarHBondContact O-CG 3.39Å; L1865-L1869 PolarHBondContact O-N 2.68Å; Q1867-L1869 VanDerWaalsContact C-N 3.33Å; Q1867-L1869 PolarHBondContact O-N 3.34Å; L1869-D1871 VanDerWaalsContact C-N 3.34Å; L1869-L1872 CarbonylContact O-C 3.58Å; L1869-L1872 PolarHBondContact O-N 2.97Å; L1869-E1873 HydrophobicContact CD2-CG 4.27Å; L1869-E1873 WeakPolarHBondContact O-CA 3.49Å; L1869-E1873 WeakPolarHBondContact O-CB 3.42Å; L1869-E1873 WeakPolarHBondContact O-CG 3.45Å; L1869-E1873 PolarHBondContact O-N 2.81Å
1870R72.4Confident63.5Low138 Ų13896.5 Ų96.552%0.52147%0.465SS..Hα-helixtrans-67.2-36.6171-78.4172.7-100.6-154.3-10111.7E1866 Q1867 M1874E1866-R1870 VanDerWaalsContact O-CB 3.27Å; E1866-R1870 WeakPolarHBondContact O-CB 3.45Å; E1866-R1870 VanDerWaalsContact O-CG 3.3Å; E1866-R1870 WeakPolarHBondContact O-CG 3.33Å; E1866-R1870 PolarHBondContact O-N 3.25Å; E1866-R1870 PolarHBondContact O-NE 3.48Å; E1866-R1870 IonicContact OE2-NH2 3Å; E1866-R1870 PolarHBondContact OE2-NH2 3.41Å; Q1867-R1870 CarbonylContact O-C 3.54Å; Q1867-R1870 PolarHBondContact O-N 3.46Å; Q1867-R1870 VanDerWaalsContact O-N 3.14Å; R1870-M1874 WeakPolarHBondContact O-CB 3.35Å; R1870-M1874 WeakPolarHBondContact O-CG 3.25Å; R1870-M1874 PolarHBondContact O-N 3.34Å
1871D70.6Confident64.2Low68 Ų6896.4 Ų96.436%0.36446%0.459SS..Hα-helixtrans-73-38.4173.5-59.7-35.8000111.5Q1867 L1869 M1874 E1875Q1867-D1871 VanDerWaalsContact O-CG 3.22Å; Q1867-D1871 PolarHBondContact O-N 2.89Å; L1869-D1871 VanDerWaalsContact C-N 3.34Å; D1871-M1874 CarbonylContact O-C 3.55Å; D1871-M1874 PolarHBondContact O-N 3.22Å; D1871-E1875 WeakPolarHBondContact O-CB 3.33Å; D1871-E1875 WeakPolarHBondContact O-CG 3.47Å; D1871-E1875 PolarHBondContact O-N 3.04Å
1872L62.2Low64.8Low95 Ų9599 Ų9950%0.49747%0.472SS..Hα-helixtrans-77.7-16172.6-73.2167.9000113.2K1868 L1869 L1876K1868-L1872 WeakPolarHBondContact O-CA 3.39Å; K1868-L1872 WeakPolarHBondContact O-CB 3.46Å; K1868-L1872 WeakPolarHBondContact O-CD1 3.5Å; K1868-L1872 WeakPolarHBondContact O-CG 3.3Å; K1868-L1872 PolarHBondContact O-N 2.82Å; L1869-L1872 CarbonylContact O-C 3.58Å; L1869-L1872 PolarHBondContact O-N 2.97Å; L1872-L1876 WeakPolarHBondContact O-CA 3.41Å; L1872-L1876 WeakPolarHBondContact O-CB 3.28Å; L1872-L1876 PolarHBondContact O-N 3.2Å
1873E69.5Low65Low108 Ų108101.3 Ų101.351%0.50548%0.482SS..Hα-helixtrans-84.3-36169.1-80.1172.7151.800108.9L1869 L1876 D1877L1869-E1873 HydrophobicContact CD2-CG 4.27Å; L1869-E1873 WeakPolarHBondContact O-CA 3.49Å; L1869-E1873 WeakPolarHBondContact O-CB 3.42Å; L1869-E1873 WeakPolarHBondContact O-CG 3.45Å; L1869-E1873 PolarHBondContact O-N 2.81Å; E1873-L1876 PolarHBondContact O-N 3.12Å; E1873-D1877 VanDerWaalsContact O-CB 3.26Å; E1873-D1877 WeakPolarHBondContact O-CB 3.34Å; E1873-D1877 PolarHBondContact O-N 2.72Å
1874M74.6Confident65.2Low125 Ų125101.6 Ų101.662%0.61648%0.48SS*.Hα-helixtrans-66.9-36.9165.1-76.4-162.1-56.400111.9R1870 D1871 S1878R1870-M1874 WeakPolarHBondContact O-CB 3.35Å; R1870-M1874 WeakPolarHBondContact O-CG 3.25Å; R1870-M1874 PolarHBondContact O-N 3.34Å; D1871-M1874 CarbonylContact O-C 3.55Å; D1871-M1874 PolarHBondContact O-N 3.22Å; M1874-S1878 WeakPolarHBondContact O-CA 3.36Å; M1874-S1878 WeakPolarHBondContact O-CB 3.49Å; M1874-S1878 PolarHBondContact O-N 3.23Å
1875E66.3Low65.7Low130 Ų13099.7 Ų99.761%0.60747%0.474SS*.Hα-helixtrans-77.7-27.5173-73.7-164.115000112.1D1871 S1878 A1879D1871-E1875 WeakPolarHBondContact O-CB 3.33Å; D1871-E1875 WeakPolarHBondContact O-CG 3.47Å; D1871-E1875 PolarHBondContact O-N 3.04Å; E1875-S1878 CarbonylContact O-C 3.37Å; E1875-A1879 WeakPolarHBondContact O-CA 3.47Å; E1875-A1879 WeakPolarHBondContact O-CB 3.25Å; E1875-A1879 PolarHBondContact O-N 3.3Å
1876L63.2Low66.1Low89 Ų8999 Ų9947%0.46647%0.472SS..Hα-helixtrans-78.6-30.2171.4-17865.7000111.3L1872 E1873 A1879 R1880L1872-L1876 WeakPolarHBondContact O-CA 3.41Å; L1872-L1876 WeakPolarHBondContact O-CB 3.28Å; L1872-L1876 PolarHBondContact O-N 3.2Å; E1873-L1876 PolarHBondContact O-N 3.12Å; L1876-A1879 CarbonylContact O-C 3.6Å; L1876-R1880 WeakPolarHBondContact O-CA 3.46Å; L1876-R1880 WeakPolarHBondContact O-CB 3.44Å; L1876-R1880 WeakPolarHBondContact O-CD 3.36Å; L1876-R1880 WeakPolarHBondContact O-CG 3.39Å; L1876-R1880 PolarHBondContact O-N 2.69Å
1877D69.9Low65.8Low72 Ų7297.7 Ų97.739%0.38547%0.468SS..Hα-helixtrans-79.6-27.6168.1-105.323.2000111.4E1873 R1880 R1881E1873-D1877 VanDerWaalsContact O-CB 3.26Å; E1873-D1877 WeakPolarHBondContact O-CB 3.34Å; E1873-D1877 PolarHBondContact O-N 2.72Å; D1877-R1880 IonicContact OD1-NH1 2.81Å; D1877-R1881 WeakPolarHBondContact O-CA 3.12Å; D1877-R1881 WeakPolarHBondContact O-CB 3.22Å; D1877-R1881 WeakPolarHBondContact O-CD 3.1Å; D1877-R1881 WeakPolarHBondContact O-CG 3.46Å; D1877-R1881 PolarHBondContact O-N 3.2Å
1878S70.5Confident65.7Low50 Ų5098.2 Ų98.235%0.3547%0.465SS..Hα-helixtrans-73.1-32.8167.1-1730000111.4M1874 E1875 K1882M1874-S1878 WeakPolarHBondContact O-CA 3.36Å; M1874-S1878 WeakPolarHBondContact O-CB 3.49Å; M1874-S1878 PolarHBondContact O-N 3.23Å; E1875-S1878 CarbonylContact O-C 3.37Å; S1878-K1882 VanDerWaalsContact O-CB 3.23Å; S1878-K1882 WeakPolarHBondContact O-CB 2.84Å; S1878-K1882 VanDerWaalsContact O-CG 3.25Å; S1878-K1882 WeakPolarHBondContact O-CG 3.43Å; S1878-K1882 PolarHBondContact O-N 3.46Å
1879A58.2Low65.8Low44 Ų4496.2 Ų96.236%0.36446%0.461SS..Hα-helixtrans-79.4-32.6173.900000111.2E1875 L1876 K1882 Q1883E1875-A1879 WeakPolarHBondContact O-CA 3.47Å; E1875-A1879 WeakPolarHBondContact O-CB 3.25Å; E1875-A1879 PolarHBondContact O-N 3.3Å; L1876-A1879 CarbonylContact O-C 3.6Å; A1879-K1882 CarbonylContact O-C 3.47Å; A1879-Q1883 WeakPolarHBondContact O-CA 3.46Å; A1879-Q1883 WeakPolarHBondContact O-CB 3.21Å; A1879-Q1883 PolarHBondContact O-N 2.81Å
1880R61.8Low65.9Low138 Ų13898.4 Ų98.452%0.52146%0.463SS..Hα-helixtrans-73.6-29.5167.6-78.1167.1164.5-177.2-1.4111.9L1876 D1877 Q1884L1876-R1880 WeakPolarHBondContact O-CA 3.46Å; L1876-R1880 WeakPolarHBondContact O-CB 3.44Å; L1876-R1880 WeakPolarHBondContact O-CD 3.36Å; L1876-R1880 WeakPolarHBondContact O-CG 3.39Å; L1876-R1880 PolarHBondContact O-N 2.69Å; D1877-R1880 IonicContact OD1-NH1 2.81Å; R1880-Q1884 WeakPolarHBondContact O-CA 3.44Å; R1880-Q1884 WeakPolarHBondContact O-CB 3.23Å; R1880-Q1884 WeakPolarHBondContact O-CG 3.49Å; R1880-Q1884 PolarHBondContact O-N 3.23Å
1881R69.6Low65.4Low161 Ų161100 Ų10061%0.60847%0.469SS*.Hα-helixtrans-71.2-46.9167.7-76.7166.1-166-151.65.8110.1D1877 Q1883 Q1884 D1885D1877-R1881 WeakPolarHBondContact O-CA 3.12Å; D1877-R1881 WeakPolarHBondContact O-CB 3.22Å; D1877-R1881 WeakPolarHBondContact O-CD 3.1Å; D1877-R1881 WeakPolarHBondContact O-CG 3.46Å; D1877-R1881 PolarHBondContact O-N 3.2Å; R1881-Q1883 PolarHBondContact O-N 3.14Å; R1881-Q1884 CarbonylContact O-C 3.59Å; R1881-Q1884 PolarHBondContact O-N 3.49Å; R1881-D1885 WeakPolarHBondContact O-CA 3.25Å; R1881-D1885 WeakPolarHBondContact O-CB 3.33Å; R1881-D1885 VanDerWaalsContact O-CG 3.27Å; R1881-D1885 PolarHBondContact O-N 3.32Å
1882K64.6Low65.3Low144 Ų144103.1 Ų103.163%0.62648%0.479SS*.Hα-helixtrans-64.1-25.4170.9-76174.4179.6175.90113S1878 A1879 S1886S1878-K1882 VanDerWaalsContact O-CB 3.23Å; S1878-K1882 WeakPolarHBondContact O-CB 2.84Å; S1878-K1882 VanDerWaalsContact O-CG 3.25Å; S1878-K1882 WeakPolarHBondContact O-CG 3.43Å; S1878-K1882 PolarHBondContact O-N 3.46Å; A1879-K1882 CarbonylContact O-C 3.47Å; K1882-S1886 WeakPolarHBondContact O-CA 3.34Å; K1882-S1886 WeakPolarHBondContact O-CB 3.35Å; K1882-S1886 PolarHBondContact O-N 3.24Å; K1882-S1886 PolarHBondContact O-OG 3.39Å
1883Q60.7Low65.5Low117 Ų11799.4 Ų99.455%0.54746%0.46SS..Hα-helixtrans-85.5-38.4175.9-172.2168.4-1.200110.6A1879 R1881 D1885 S1886 D1887A1879-Q1883 WeakPolarHBondContact O-CA 3.46Å; A1879-Q1883 WeakPolarHBondContact O-CB 3.21Å; A1879-Q1883 PolarHBondContact O-N 2.81Å; R1881-Q1883 PolarHBondContact O-N 3.14Å; Q1883-D1885 VanDerWaalsContact C-N 3.31Å; Q1883-S1886 CarbonylContact O-C 3.26Å; Q1883-S1886 WeakPolarHBondContact O-CB 3.26Å; Q1883-S1886 PolarHBondContact O-N 2.86Å; Q1883-D1887 WeakPolarHBondContact O-CA 3.32Å; Q1883-D1887 WeakPolarHBondContact O-CB 3.33Å; Q1883-D1887 PolarHBondContact O-N 2.68Å
1884Q65.9Low65Low110 Ų11097.7 Ų97.751%0.51445%0.454SS..Hα-helixtrans-66.6-31.4167.3-79.1-177.66.700112.1R1880 R1881 D1887 R1888R1880-Q1884 WeakPolarHBondContact O-CA 3.44Å; R1880-Q1884 WeakPolarHBondContact O-CB 3.23Å; R1880-Q1884 WeakPolarHBondContact O-CG 3.49Å; R1880-Q1884 PolarHBondContact O-N 3.23Å; R1881-Q1884 CarbonylContact O-C 3.59Å; R1881-Q1884 PolarHBondContact O-N 3.49Å; Q1884-D1887 CarbonylContact O-C 3.08Å; Q1884-R1888 WeakPolarHBondContact O-CA 3.35Å; Q1884-R1888 VanDerWaalsContact O-CB 3.25Å; Q1884-R1888 WeakPolarHBondContact O-CB 3.49Å; Q1884-R1888 WeakPolarHBondContact O-CD 3.36Å; Q1884-R1888 WeakPolarHBondContact O-CG 3.3Å; Q1884-R1888 PolarHBondContact O-N 2.86Å
1885D69.6Low64.6Low74 Ų7495.6 Ų95.640%0.39644%0.439SS..Hα-helixtrans-81.5-30.9173-71.8-33.8000110.5R1881 Q1883 D1887 R1888 V1889R1881-D1885 WeakPolarHBondContact O-CA 3.25Å; R1881-D1885 WeakPolarHBondContact O-CB 3.33Å; R1881-D1885 VanDerWaalsContact O-CG 3.27Å; R1881-D1885 PolarHBondContact O-N 3.32Å; Q1883-D1885 VanDerWaalsContact C-N 3.31Å; D1885-D1887 VanDerWaalsContact C-N 3.31Å; D1885-R1888 PolarHBondContact O-N 2.73Å; D1885-R1888 WeakPolarHBondContact OD1-CD 3.28Å; D1885-R1888 IonicContact OD1-CZ 3.78Å; D1885-R1888 IonicContact OD1-NE 2.69Å; D1885-R1888 IonicContact OD1-NH1 3.63Å; D1885-R1888 PolarHBondContact OD1-NH1 2.77Å; D1885-V1889 VanDerWaalsContact O-CB 3.29Å; D1885-V1889 WeakPolarHBondContact O-CB 3.27Å; D1885-V1889 VanDerWaalsContact O-CG2 3.24Å; D1885-V1889 WeakPolarHBondContact O-CG2 3.4Å; D1885-V1889 PolarHBondContact O-N 2.95Å
1886S61.6Low64.7Low32 Ų3292.2 Ų92.222%0.22442%0.424CS..Hα-helixtrans-69.4-28.3167.1-74.40000113.2K1882 Q1883 R1890 K1992K1882-S1886 WeakPolarHBondContact O-CA 3.34Å; K1882-S1886 WeakPolarHBondContact O-CB 3.35Å; K1882-S1886 PolarHBondContact O-N 3.24Å; K1882-S1886 PolarHBondContact O-OG 3.39Å; Q1883-S1886 CarbonylContact O-C 3.26Å; Q1883-S1886 WeakPolarHBondContact O-CB 3.26Å; Q1883-S1886 PolarHBondContact O-N 2.86Å; S1886-R1890 WeakPolarHBondContact O-CB 3.41Å; S1886-R1890 PolarHBondContact O-N 3.29Å; S1886-K1992 PolarHBondContact O-NZ 2.87Å; S1886-K1992 WeakPolarHBondContact OG-CE 3.43Å
1887D58.7Low64.6Low51 Ų5189.7 Ų89.727%0.27341%0.41SS..Hα-helixtrans-92-19.6175.5-75.7-19.9000111.2Q1883 Q1884 D1885 R1891Q1883-D1887 WeakPolarHBondContact O-CA 3.32Å; Q1883-D1887 WeakPolarHBondContact O-CB 3.33Å; Q1883-D1887 PolarHBondContact O-N 2.68Å; Q1884-D1887 CarbonylContact O-C 3.08Å; D1885-D1887 VanDerWaalsContact C-N 3.31Å; D1887-R1891 WeakPolarHBondContact O-CA 3.43Å; D1887-R1891 WeakPolarHBondContact O-CB 3.38Å; D1887-R1891 VanDerWaalsContact O-CD 3.29Å; D1887-R1891 WeakPolarHBondContact O-CD 3.21Å; D1887-R1891 WeakPolarHBondContact O-CG 3.47Å; D1887-R1891 PolarHBondContact O-N 3.47Å
1888R68.9Low64.4Low128 Ų12891.3 Ų91.348%0.48341%0.414SS..Hα-helixtrans-76.6-39.2162.1-78.2158179.9164.26.1109.9Q1884 D1885 R1891 K1892Q1884-R1888 WeakPolarHBondContact O-CA 3.35Å; Q1884-R1888 VanDerWaalsContact O-CB 3.25Å; Q1884-R1888 WeakPolarHBondContact O-CB 3.49Å; Q1884-R1888 WeakPolarHBondContact O-CD 3.36Å; Q1884-R1888 WeakPolarHBondContact O-CG 3.3Å; Q1884-R1888 PolarHBondContact O-N 2.86Å; D1885-R1888 PolarHBondContact O-N 2.73Å; D1885-R1888 WeakPolarHBondContact OD1-CD 3.28Å; D1885-R1888 IonicContact OD1-CZ 3.78Å; D1885-R1888 IonicContact OD1-NE 2.69Å; D1885-R1888 IonicContact OD1-NH1 3.63Å; D1885-R1888 PolarHBondContact OD1-NH1 2.77Å; R1888-R1891 CarbonylContact O-C 3.44Å; R1888-K1892 WeakPolarHBondContact O-CA 3.41Å; R1888-K1892 WeakPolarHBondContact O-CB 3.34Å; R1888-K1892 PolarHBondContact O-N 3.27Å
1889V64.5Low64.3Low55 Ų5593.3 Ų93.333%0.33342%0.418SS..Hα-helixtrans-67.3-43.8169.41690000109.2D1885 K1892 N1893D1885-V1889 VanDerWaalsContact O-CB 3.29Å; D1885-V1889 WeakPolarHBondContact O-CB 3.27Å; D1885-V1889 VanDerWaalsContact O-CG2 3.24Å; D1885-V1889 WeakPolarHBondContact O-CG2 3.4Å; D1885-V1889 PolarHBondContact O-N 2.95Å; V1889-K1892 CarbonylContact O-C 3.55Å; V1889-K1892 PolarHBondContact O-N 2.65Å; V1889-N1893 WeakPolarHBondContact O-CB 3.37Å; V1889-N1893 PolarHBondContact O-N 2.95Å; V1889-N1893 PolarHBondContact O-OD1 3Å
1890R60.1Low64.6Low137 Ų13792 Ų9252%0.51740%0.404SS..Hα-helixtrans-64.5-42.4173.3-171.7-175.5166.61792.5111.5S1886 K1892 N1893 D1894S1886-R1890 WeakPolarHBondContact O-CB 3.41Å; S1886-R1890 PolarHBondContact O-N 3.29Å; R1890-K1892 VanDerWaalsContact C-N 3.31Å; R1890-K1892 PolarHBondContact O-N 3.37Å; R1890-N1893 CarbonylContact O-C 3.37Å; R1890-N1893 PolarHBondContact O-N 3.19Å; R1890-D1894 IonicContact NE-OD2 3.87Å; R1890-D1894 WeakPolarHBondContact O-CA 3.36Å; R1890-D1894 WeakPolarHBondContact O-CB 3.07Å; R1890-D1894 PolarHBondContact O-N 3.05Å
1891R62.5Low64.5Low171 Ų17186.1 Ų86.165%0.64538%0.383SS*.Hα-helixtrans-71.2-21.3173.2-71.4166.7-163.3-164.45113.6D1887 R1888 R1895D1887-R1891 WeakPolarHBondContact O-CA 3.43Å; D1887-R1891 WeakPolarHBondContact O-CB 3.38Å; D1887-R1891 VanDerWaalsContact O-CD 3.29Å; D1887-R1891 WeakPolarHBondContact O-CD 3.21Å; D1887-R1891 WeakPolarHBondContact O-CG 3.47Å; D1887-R1891 PolarHBondContact O-N 3.47Å; R1888-R1891 CarbonylContact O-C 3.44Å; R1891-R1895 WeakPolarHBondContact O-CA 3.34Å; R1891-R1895 WeakPolarHBondContact O-CB 3.17Å; R1891-R1895 WeakPolarHBondContact O-CG 3.43Å; R1891-R1895 PolarHBondContact O-N 2.83Å
1892K68.3Low64.3Low134 Ų13480.4 Ų80.458%0.58337%0.37SS*.Hα-helixtrans-82.5-29.2172.5-170.1-177.9-178.4-163.40110.5R1888 V1889 R1890 R1895 Q1896R1888-K1892 WeakPolarHBondContact O-CA 3.41Å; R1888-K1892 WeakPolarHBondContact O-CB 3.34Å; R1888-K1892 PolarHBondContact O-N 3.27Å; V1889-K1892 CarbonylContact O-C 3.55Å; V1889-K1892 PolarHBondContact O-N 2.65Å; R1890-K1892 VanDerWaalsContact C-N 3.31Å; R1890-K1892 PolarHBondContact O-N 3.37Å; K1892-R1895 CarbonylContact O-C 3.18Å; K1892-Q1896 WeakPolarHBondContact O-CB 3.35Å; K1892-Q1896 VanDerWaalsContact O-CG 3.24Å; K1892-Q1896 WeakPolarHBondContact O-CG 3.39Å; K1892-Q1896 PolarHBondContact O-N 2.84Å
1893N67Low64.4Low18 Ų1878.7 Ų78.710%0.09636%0.364CS..Hα-helixtrans-87.9-28.9176.4-61.211.6000110.9V1889 R1890 Q1896 L1897 S1995V1889-N1893 WeakPolarHBondContact O-CB 3.37Å; V1889-N1893 PolarHBondContact O-N 2.95Å; V1889-N1893 PolarHBondContact O-OD1 3Å; R1890-N1893 CarbonylContact O-C 3.37Å; R1890-N1893 PolarHBondContact O-N 3.19Å; N1893-Q1896 PolarHBondContact O-N 3.24Å; N1893-L1897 VanDerWaalsContact O-CB 3.3Å; N1893-L1897 WeakPolarHBondContact O-CB 3.33Å; N1893-L1897 WeakPolarHBondContact O-CD1 3.33Å; N1893-L1897 PolarHBondContact O-N 2.79Å; N1893-S1995 WeakPolarHBondContact CB-OG 3.31Å; N1893-S1995 PolarHBondContact ND2-OG 2.72Å
1894D57.8Low64.5Low71 Ų7176.5 Ų76.538%0.3836%0.355SS..Hα-helixtrans-74-32164.1-68.9-21.8000109.7R1890 K1898R1890-D1894 IonicContact NE-OD2 3.87Å; R1890-D1894 WeakPolarHBondContact O-CA 3.36Å; R1890-D1894 WeakPolarHBondContact O-CB 3.07Å; R1890-D1894 PolarHBondContact O-N 3.05Å; D1894-K1898 VanDerWaalsContact O-CB 3.24Å; D1894-K1898 WeakPolarHBondContact O-CB 3.26Å; D1894-K1898 VanDerWaalsContact O-CG 3.26Å; D1894-K1898 WeakPolarHBondContact O-CG 3.46Å; D1894-K1898 PolarHBondContact O-N 2.9Å
1895R66.9Low64.5Low81 Ų8175.3 Ų75.331%0.30635%0.35SS..Hα-helixtrans-71.9-36.8165.6-87.9-176.7178.31383.4111.8E1270 R1891 K1892 K1898 E1899E1270-R1895 IonicContact OE1-CZ 3.89Å; E1270-R1895 IonicContact OE1-NH1 3.94Å; E1270-R1895 PolarHBondContact OE1-NH1 2.93Å; E1270-R1895 IonicContact OE1-NH2 3.21Å; E1270-R1895 IonicContact OE2-CZ 3.32Å; E1270-R1895 IonicContact OE2-NH1 2.6Å; E1270-R1895 PolarHBondContact OE2-NH1 2.7Å; E1270-R1895 IonicContact OE2-NH2 2.68Å; E1270-R1895 PolarHBondContact OE2-NH2 2.8Å; R1891-R1895 WeakPolarHBondContact O-CA 3.34Å; R1891-R1895 WeakPolarHBondContact O-CB 3.17Å; R1891-R1895 WeakPolarHBondContact O-CG 3.43Å; R1891-R1895 PolarHBondContact O-N 2.83Å; K1892-R1895 CarbonylContact O-C 3.18Å; R1895-K1898 CarbonylContact O-C 3.58Å; R1895-K1898 PolarHBondContact O-N 2.95Å; R1895-E1899 WeakPolarHBondContact O-CA 3.44Å; R1895-E1899 WeakPolarHBondContact O-CB 2.95Å; R1895-E1899 WeakPolarHBondContact O-CG 3.48Å; R1895-E1899 PolarHBondContact O-N 2.84Å
1896Q67.8Low64.3Low60 Ų6076.3 Ų76.328%0.2835%0.352SS..Hα-helixtrans-70-37.1172.6-78.1179.3-69.700110.1K1892 N1893 E1899 L1900K1892-Q1896 WeakPolarHBondContact O-CB 3.35Å; K1892-Q1896 VanDerWaalsContact O-CG 3.24Å; K1892-Q1896 WeakPolarHBondContact O-CG 3.39Å; K1892-Q1896 PolarHBondContact O-N 2.84Å; N1893-Q1896 PolarHBondContact O-N 3.24Å; Q1896-E1899 WeakPolarHBondContact CG-OE2 3.21Å; Q1896-E1899 CarbonylContact O-C 3.55Å; Q1896-E1899 PolarHBondContact O-N 3.24Å; Q1896-L1900 HydrophobicContact CB-CD1 4.26Å; Q1896-L1900 WeakPolarHBondContact O-CA 3.41Å; Q1896-L1900 WeakPolarHBondContact O-CB 3.38Å; Q1896-L1900 WeakPolarHBondContact O-CD1 3.27Å; Q1896-L1900 WeakPolarHBondContact O-CG 3.25Å; Q1896-L1900 PolarHBondContact O-N 3.48Å
1897L61.7Low64.6Low35 Ų3577 Ų7718%0.18336%0.36CS..Hα-helixtrans-60.6-43.7167.3-98.2140000111.1N1893 L1900 E1901 K1998N1893-L1897 VanDerWaalsContact O-CB 3.3Å; N1893-L1897 WeakPolarHBondContact O-CB 3.33Å; N1893-L1897 WeakPolarHBondContact O-CD1 3.33Å; N1893-L1897 PolarHBondContact O-N 2.79Å; L1897-L1900 CarbonylContact O-C 3.54Å; L1897-L1900 PolarHBondContact O-N 3.08Å; L1897-E1901 PolarHBondContact O-N 3.05Å; L1897-K1998 VanDerWaalsContact CD2-C 3.41Å; L1897-K1998 VanDerWaalsContact CD2-CA 3.49Å; L1897-K1998 VanDerWaalsContact CD2-N 3.34Å
1898K66Low65Low106 Ų10681.4 Ų81.446%0.46137%0.373SS..Hα-helixtrans-71-30175.3-78.1-169.3159.7-153.10114.9D1894 R1895 L1900 A1902 M2000D1894-K1898 VanDerWaalsContact O-CB 3.24Å; D1894-K1898 WeakPolarHBondContact O-CB 3.26Å; D1894-K1898 VanDerWaalsContact O-CG 3.26Å; D1894-K1898 WeakPolarHBondContact O-CG 3.46Å; D1894-K1898 PolarHBondContact O-N 2.9Å; R1895-K1898 CarbonylContact O-C 3.58Å; R1895-K1898 PolarHBondContact O-N 2.95Å; K1898-L1900 VanDerWaalsContact C-N 3.31Å; K1898-A1902 WeakPolarHBondContact O-CB 3.39Å; K1898-A1902 PolarHBondContact O-N 2.99Å; K1898-M2000 HydrophobicContact CB-CE 3.81Å; K1898-M2000 HydrophobicContact CG-CE 3.74Å; K1898-M2000 HydrophobicContact CG-CG 3.8Å; K1898-M2000 HydrophobicContact CG-SD 4Å; K1898-M2000 VanDerWaalsContact O-CE 3.3Å; K1898-M2000 WeakPolarHBondContact O-CE 3.38Å
1899E67.9Low64.9Low93 Ų9378.3 Ų78.344%0.43536%0.363SS..Hα-helixtrans-78.3-22.4171.9-75.4167.516300110.2R1895 Q1896 A1902 Q1903R1895-E1899 WeakPolarHBondContact O-CA 3.44Å; R1895-E1899 WeakPolarHBondContact O-CB 2.95Å; R1895-E1899 WeakPolarHBondContact O-CG 3.48Å; R1895-E1899 PolarHBondContact O-N 2.84Å; Q1896-E1899 WeakPolarHBondContact CG-OE2 3.21Å; Q1896-E1899 CarbonylContact O-C 3.55Å; Q1896-E1899 PolarHBondContact O-N 3.24Å; E1899-A1902 WeakPolarHBondContact O-CB 3.49Å; E1899-Q1903 WeakPolarHBondContact O-CB 3.38Å; E1899-Q1903 WeakPolarHBondContact O-CG 3.49Å; E1899-Q1903 PolarHBondContact O-N 3.36Å
1900L64.7Low65Low16 Ų1679.1 Ų79.18%0.08437%0.365CS..Hα-helixtrans-94.3-18.4177-68.4161.4000111.8Q1896 L1897 K1898 Q1903 I1904 M1997 K1998Q1896-L1900 HydrophobicContact CB-CD1 4.26Å; Q1896-L1900 WeakPolarHBondContact O-CA 3.41Å; Q1896-L1900 WeakPolarHBondContact O-CB 3.38Å; Q1896-L1900 WeakPolarHBondContact O-CD1 3.27Å; Q1896-L1900 WeakPolarHBondContact O-CG 3.25Å; Q1896-L1900 PolarHBondContact O-N 3.48Å; L1897-L1900 CarbonylContact O-C 3.54Å; L1897-L1900 PolarHBondContact O-N 3.08Å; K1898-L1900 VanDerWaalsContact C-N 3.31Å; L1900-Q1903 HydrophobicContact CD2-CB 4.37Å; L1900-Q1903 CarbonylContact O-C 3.54Å; L1900-Q1903 WeakPolarHBondContact O-CA 3.26Å; L1900-Q1903 PolarHBondContact O-N 3.48Å; L1900-I1904 PolarHBondContact O-N 3.3Å; L1900-M1997 HydrophobicContact CB-CG 3.97Å; L1900-M1997 HydrophobicContact CD1-CB 3.8Å; L1900-M1997 HydrophobicContact CD1-CE 3.74Å; L1900-M1997 HydrophobicContact CD1-CG 3.69Å; L1900-M1997 HydrophobicContact CD1-SD 4.48Å; L1900-M1997 HydrophobicContact CD2-CE 3.61Å; L1900-M1997 HydrophobicContact CD2-CG 4Å; L1900-M1997 HydrophobicContact CD2-SD 4.15Å; L1900-M1997 HydrophobicContact CG-CE 4.31Å; L1900-M1997 HydrophobicContact CG-CG 4.08Å; L1900-K1998 HydrophobicContact CB-CG 4.29Å; L1900-K1998 WeakPolarHBondContact O-CE 3.46Å; L1900-K1998 WeakPolarHBondContact O-CG 3.01Å
1901E59.2Low65.1Low15 Ų1576.8 Ų76.87%0.0736%0.363CS..Hα-helixtrans-92.7-14156.4-97.1140.9127.500113.9L1897 I1904 E1905 K1998 T1999 M2000L1897-E1901 PolarHBondContact O-N 3.05Å; E1901-I1904 HydrophobicContact CB-CG2 4.13Å; E1901-I1904 HydrophobicContact CG-CB 4.04Å; E1901-I1904 HydrophobicContact CG-CG2 3.32Å; E1901-I1904 PolarHBondContact O-N 2.68Å; E1901-E1905 WeakPolarHBondContact O-CA 3.39Å; E1901-E1905 WeakPolarHBondContact O-CB 3.36Å; E1901-E1905 PolarHBondContact O-N 2.79Å; E1901-K1998 HydrophobicContact CG-CB 4.43Å; E1901-K1998 HydrophobicContact CG-CG 4.16Å; E1901-T1999 VanDerWaalsContact CD-CA 3.41Å; E1901-T1999 WeakPolarHBondContact OE1-CA 3.48Å; E1901-T1999 WeakPolarHBondContact OE1-CB 3.05Å; E1901-T1999 VanDerWaalsContact OE1-CG2 3.29Å; E1901-T1999 WeakPolarHBondContact OE1-CG2 3.24Å; E1901-T1999 PolarHBondContact OE1-OG1 3.34Å; E1901-T1999 VanDerWaalsContact OE2-C 3.29Å; E1901-T1999 WeakPolarHBondContact OE2-CA 3.44Å; E1901-M2000 HydrophobicContact CB-CE 3.49Å; E1901-M2000 VanDerWaalsContact CB-CE 3.49Å; E1901-M2000 HydrophobicContact CB-CG 3.8Å; E1901-M2000 HydrophobicContact CB-SD 3.93Å; E1901-M2000 HydrophobicContact CG-CG 4.3Å; E1901-M2000 WeakPolarHBondContact OE1-CB 3.47Å; E1901-M2000 PolarHBondContact OE1-N 2.99Å; E1901-M2000 WeakPolarHBondContact OE2-CB 3.41Å; E1901-M2000 VanDerWaalsContact OE2-CG 3.31Å; E1901-M2000 WeakPolarHBondContact OE2-CG 3.25Å; E1901-M2000 PolarHBondContact OE2-N 2.91Å
1902A67Low65.2Low40 Ų4073.1 Ų73.133%0.33135%0.353SS..Hα-helixtrans-59.1-57.4146.800000106.2K1898 E1899 I1904 E1905 E1906 A1907K1898-A1902 WeakPolarHBondContact O-CB 3.39Å; K1898-A1902 PolarHBondContact O-N 2.99Å; E1899-A1902 WeakPolarHBondContact O-CB 3.49Å; A1902-I1904 PolarHBondContact O-N 2.96Å; A1902-E1905 PolarHBondContact O-N 3.27Å; A1902-E1906 CarbonylContact O-C 3.56Å; A1902-E1906 WeakPolarHBondContact O-CA 3.27Å; A1902-E1906 WeakPolarHBondContact O-CB 3.45Å; A1902-E1906 PolarHBondContact O-N 3.41Å; A1902-A1907 PolarHBondContact O-N 3.26Å
1903Q65.1Low65.1Low109 Ų10971.8 Ų71.851%0.50935%0.345SS..Hα-helixtrans-75.729.4173.2-56160.225.800115.1E1899 L1900 A1907 K1998E1899-Q1903 WeakPolarHBondContact O-CB 3.38Å; E1899-Q1903 WeakPolarHBondContact O-CG 3.49Å; E1899-Q1903 PolarHBondContact O-N 3.36Å; L1900-Q1903 HydrophobicContact CD2-CB 4.37Å; L1900-Q1903 CarbonylContact O-C 3.54Å; L1900-Q1903 WeakPolarHBondContact O-CA 3.26Å; L1900-Q1903 PolarHBondContact O-N 3.48Å; Q1903-A1907 VanDerWaalsContact C-CB 3.49Å; Q1903-A1907 VanDerWaalsContact O-CB 3.23Å; Q1903-A1907 WeakPolarHBondContact O-CB 3.39Å; Q1903-K1998 VanDerWaalsContact O-CE 3.24Å; Q1903-K1998 WeakPolarHBondContact O-CE 3.36Å; Q1903-K1998 PolarHBondContact O-NZ 3.38Å
1904I64.6Low64.9Low70 Ų7075.5 Ų75.536%0.35936%0.362SS..Hα-helixtrans-129.9-36.1157.5-129.9-171000111.5L1900 E1901 A1902 R1908 K1998L1900-I1904 PolarHBondContact O-N 3.3Å; E1901-I1904 HydrophobicContact CB-CG2 4.13Å; E1901-I1904 HydrophobicContact CG-CB 4.04Å; E1901-I1904 HydrophobicContact CG-CG2 3.32Å; E1901-I1904 PolarHBondContact O-N 2.68Å; A1902-I1904 PolarHBondContact O-N 2.96Å; I1904-R1908 WeakPolarHBondContact O-CA 3.37Å; I1904-R1908 WeakPolarHBondContact O-CB 3.28Å; I1904-R1908 PolarHBondContact O-N 3.37Å; I1904-K1998 HydrophobicContact CB-CD 4.03Å; I1904-K1998 HydrophobicContact CB-CG 4.03Å; I1904-K1998 HydrophobicContact CD1-CB 4.35Å; I1904-K1998 HydrophobicContact CD1-CD 3.61Å; I1904-K1998 HydrophobicContact CD1-CG 3.95Å; I1904-K1998 HydrophobicContact CG1-CD 3.76Å; I1904-K1998 HydrophobicContact CG1-CG 4.21Å
1905E64.6Low65.2Low85 Ų8577.7 Ų77.740%0.39737%0.37SS..Hα-helixtrans-92.5-25.5-178.9-171.363.6-165.800110.6E1901 A1902 K1909E1901-E1905 WeakPolarHBondContact O-CA 3.39Å; E1901-E1905 WeakPolarHBondContact O-CB 3.36Å; E1901-E1905 PolarHBondContact O-N 2.79Å; A1902-E1905 PolarHBondContact O-N 3.27Å; E1905-K1909 HydrophobicContact CG-CD 4.47Å; E1905-K1909 VanDerWaalsContact CG-NZ 3.27Å; E1905-K1909 WeakPolarHBondContact O-CA 3.26Å; E1905-K1909 WeakPolarHBondContact O-CB 3.49Å; E1905-K1909 WeakPolarHBondContact O-CD 3.31Å; E1905-K1909 WeakPolarHBondContact O-CG 3.39Å; E1905-K1909 PolarHBondContact O-N 3.29Å; E1905-K1909 WeakPolarHBondContact OE1-CE 3.33Å; E1905-K1909 IonicContact OE1-NZ 2.6Å; E1905-K1909 PolarHBondContact OE1-NZ 3.06Å
1906E66.6Low65.2Low96 Ų9678.7 Ų78.745%0.44938%0.378SS..Hα-helixtrans-92.4-21.7160-156.7-153.6-165.200111.7A1902 N1910A1902-E1906 CarbonylContact O-C 3.56Å; A1902-E1906 WeakPolarHBondContact O-CA 3.27Å; A1902-E1906 WeakPolarHBondContact O-CB 3.45Å; A1902-E1906 PolarHBondContact O-N 3.41Å; E1906-N1910 WeakPolarHBondContact O-CA 3.29Å; E1906-N1910 WeakPolarHBondContact O-CB 3.37Å; E1906-N1910 PolarHBondContact O-N 2.92Å; E1906-N1910 PolarHBondContact O-ND2 3.27Å
1907A67.2Low64.9Low47 Ų4779.7 Ų79.739%0.38839%0.385SS..Hα-helixtrans-72.9-36.4162.100000110.6A1902 Q1903 N1910 D1911A1902-A1907 PolarHBondContact O-N 3.26Å; Q1903-A1907 VanDerWaalsContact C-CB 3.49Å; Q1903-A1907 VanDerWaalsContact O-CB 3.23Å; Q1903-A1907 WeakPolarHBondContact O-CB 3.39Å; A1907-N1910 CarbonylContact O-C 3.46Å; A1907-N1910 PolarHBondContact O-N 3.19Å; A1907-D1911 WeakPolarHBondContact O-CB 3.37Å; A1907-D1911 PolarHBondContact O-N 3.25Å
1908R66.4Low65.2Low143 Ų14381.5 Ų81.554%0.5439%0.394SS..Hα-helixtrans-79.9-32.1172-178.9-178.4171165.11.9112.5I1904 N1910 D1911 E1912I1904-R1908 WeakPolarHBondContact O-CA 3.37Å; I1904-R1908 WeakPolarHBondContact O-CB 3.28Å; I1904-R1908 PolarHBondContact O-N 3.37Å; R1908-N1910 VanDerWaalsContact C-N 3.28Å; R1908-D1911 CarbonylContact O-C 3.54Å; R1908-D1911 PolarHBondContact O-N 3.48Å; R1908-D1911 VanDerWaalsContact O-N 3.08Å; R1908-E1912 HydrophobicContact CG-CG 4.3Å; R1908-E1912 IonicContact CZ-OE1 3.14Å; R1908-E1912 IonicContact NE-OE1 3.84Å; R1908-E1912 PolarHBondContact NE-OE1 3.37Å; R1908-E1912 IonicContact NH2-OE1 3.65Å; R1908-E1912 PolarHBondContact NH2-OE1 3.28Å; R1908-E1912 VanDerWaalsContact NH2-OE1 3.07Å; R1908-E1912 VanDerWaalsContact O-CB 3.27Å; R1908-E1912 WeakPolarHBondContact O-CB 3.42Å; R1908-E1912 WeakPolarHBondContact O-CG 3.15Å; R1908-E1912 PolarHBondContact O-N 3.28Å
1909K67Low65.1Low63 Ų6381.6 Ų81.627%0.27440%0.4SS..Hα-helixtrans-76.8-15.6164.1-73.5159.7-166.5150.50111.8E1905 R1913E1905-K1909 HydrophobicContact CG-CD 4.47Å; E1905-K1909 VanDerWaalsContact CG-NZ 3.27Å; E1905-K1909 WeakPolarHBondContact O-CA 3.26Å; E1905-K1909 WeakPolarHBondContact O-CB 3.49Å; E1905-K1909 WeakPolarHBondContact O-CD 3.31Å; E1905-K1909 WeakPolarHBondContact O-CG 3.39Å; E1905-K1909 PolarHBondContact O-N 3.29Å; E1905-K1909 WeakPolarHBondContact OE1-CE 3.33Å; E1905-K1909 IonicContact OE1-NZ 2.6Å; E1905-K1909 PolarHBondContact OE1-NZ 3.06Å; K1909-R1913 VanDerWaalsContact O-CA 3.27Å; K1909-R1913 WeakPolarHBondContact O-CA 3.44Å; K1909-R1913 WeakPolarHBondContact O-CB 3.29Å; K1909-R1913 VanDerWaalsContact O-CD 3.22Å; K1909-R1913 WeakPolarHBondContact O-CD 3.35Å; K1909-R1913 WeakPolarHBondContact O-CG 3.5Å; K1909-R1913 PolarHBondContact O-N 3.45Å
1910N66.2Low64.8Low71 Ų7183.8 Ų83.838%0.3840%0.404SS..Hα-helixtrans-89.9-0.3160.1-70.9-35.2000112.4E1906 A1907 R1908 M1914E1906-N1910 WeakPolarHBondContact O-CA 3.29Å; E1906-N1910 WeakPolarHBondContact O-CB 3.37Å; E1906-N1910 PolarHBondContact O-N 2.92Å; E1906-N1910 PolarHBondContact O-ND2 3.27Å; A1907-N1910 CarbonylContact O-C 3.46Å; A1907-N1910 PolarHBondContact O-N 3.19Å; R1908-N1910 VanDerWaalsContact C-N 3.28Å; N1910-M1914 VanDerWaalsContact C-N 3.33Å; N1910-M1914 WeakPolarHBondContact O-CA 3.45Å; N1910-M1914 WeakPolarHBondContact O-CB 3.49Å; N1910-M1914 WeakPolarHBondContact O-CG 3.21Å; N1910-M1914 PolarHBondContact O-N 3.31Å
1911D63.2Low64.5Low89 Ų8986.3 Ų86.348%0.47642%0.417SS..Hα-helixtrans-101.8-38.5170-16225.3000110.4A1907 R1908 M1914 H1915A1907-D1911 WeakPolarHBondContact O-CB 3.37Å; A1907-D1911 PolarHBondContact O-N 3.25Å; R1908-D1911 CarbonylContact O-C 3.54Å; R1908-D1911 PolarHBondContact O-N 3.48Å; R1908-D1911 VanDerWaalsContact O-N 3.08Å; D1911-M1914 CarbonylContact O-C 3.34Å; D1911-M1914 PolarHBondContact O-N 3.34Å; D1911-H1915 VanDerWaalsContact O-CB 3.3Å; D1911-H1915 WeakPolarHBondContact O-CB 3.48Å; D1911-H1915 PolarHBondContact O-N 3.46Å; D1911-H1915 PolarHBondContact O-ND1 2.94Å; D1911-H1915 IonicContact OD1-CE1 3.89Å; D1911-H1915 PolarHBondContact OD1-CE1 3.18Å; D1911-H1915 IonicContact OD1-ND1 3.39Å; D1911-H1915 PolarHBondContact OD1-ND1 3.46Å
1912E64.4Low64.5Low94 Ų9489 Ų8944%0.43943%0.432SS..Hα-helixtrans-71.9-36.6164.1-67.1171.8-172.500110.5R1908 H1915 E1916R1908-E1912 HydrophobicContact CG-CG 4.3Å; R1908-E1912 IonicContact CZ-OE1 3.14Å; R1908-E1912 IonicContact NE-OE1 3.84Å; R1908-E1912 PolarHBondContact NE-OE1 3.37Å; R1908-E1912 IonicContact NH2-OE1 3.65Å; R1908-E1912 PolarHBondContact NH2-OE1 3.28Å; R1908-E1912 VanDerWaalsContact NH2-OE1 3.07Å; R1908-E1912 VanDerWaalsContact O-CB 3.27Å; R1908-E1912 WeakPolarHBondContact O-CB 3.42Å; R1908-E1912 WeakPolarHBondContact O-CG 3.15Å; R1908-E1912 PolarHBondContact O-N 3.28Å; E1912-H1915 PolarHBondContact O-N 3.47Å; E1912-E1916 WeakPolarHBondContact O-CB 3.17Å; E1912-E1916 PolarHBondContact O-N 2.63Å
1913R65.2Low63.9Low106 Ų10690.9 Ų90.940%0.444%0.443SS..Hα-helixtrans-76.2-23.1160.4-65.4165.2173.1166.2-3.7112.6N1287 K1909 H1915 L1917N1287-R1913 PolarHBondContact ND2-NH2 3.01Å; K1909-R1913 VanDerWaalsContact O-CA 3.27Å; K1909-R1913 WeakPolarHBondContact O-CA 3.44Å; K1909-R1913 WeakPolarHBondContact O-CB 3.29Å; K1909-R1913 VanDerWaalsContact O-CD 3.22Å; K1909-R1913 WeakPolarHBondContact O-CD 3.35Å; K1909-R1913 WeakPolarHBondContact O-CG 3.5Å; K1909-R1913 PolarHBondContact O-N 3.45Å; R1913-H1915 VanDerWaalsContact C-N 3.32Å; R1913-L1917 VanDerWaalsContact O-CA 3.24Å; R1913-L1917 WeakPolarHBondContact O-CA 3.22Å; R1913-L1917 WeakPolarHBondContact O-CB 3.39Å; R1913-L1917 PolarHBondContact O-N 3.16Å
1914M63Low63.5Low95 Ų9591.1 Ų91.147%0.46844%0.442SS..Hα-helixtrans-74.2-26.2167-85.2-87.5-7600110.7N1910 D1911 L1917 I1918N1910-M1914 VanDerWaalsContact C-N 3.33Å; N1910-M1914 WeakPolarHBondContact O-CA 3.45Å; N1910-M1914 WeakPolarHBondContact O-CB 3.49Å; N1910-M1914 WeakPolarHBondContact O-CG 3.21Å; N1910-M1914 PolarHBondContact O-N 3.31Å; D1911-M1914 CarbonylContact O-C 3.34Å; D1911-M1914 PolarHBondContact O-N 3.34Å; M1914-L1917 CarbonylContact O-C 3.54Å; M1914-I1918 HydrophobicContact CB-CD1 4.45Å; M1914-I1918 HydrophobicContact CE-CD1 4.26Å; M1914-I1918 VanDerWaalsContact O-CA 3.32Å; M1914-I1918 WeakPolarHBondContact O-CA 3.18Å; M1914-I1918 WeakPolarHBondContact O-CB 3.43Å; M1914-I1918 VanDerWaalsContact O-CD1 3.25Å; M1914-I1918 WeakPolarHBondContact O-CD1 3.46Å; M1914-I1918 WeakPolarHBondContact O-CG1 3.49Å; M1914-I1918 PolarHBondContact O-N 3.11Å
1915H65.3Low63.1Low118 Ų11891.6 Ų91.655%0.54645%0.448SS..Hα-helixtrans-77.9-46.7174-80.164.1000110D1911 E1912 R1913 L1917 I1918 D1919D1911-H1915 VanDerWaalsContact O-CB 3.3Å; D1911-H1915 WeakPolarHBondContact O-CB 3.48Å; D1911-H1915 PolarHBondContact O-N 3.46Å; D1911-H1915 PolarHBondContact O-ND1 2.94Å; D1911-H1915 IonicContact OD1-CE1 3.89Å; D1911-H1915 PolarHBondContact OD1-CE1 3.18Å; D1911-H1915 IonicContact OD1-ND1 3.39Å; D1911-H1915 PolarHBondContact OD1-ND1 3.46Å; E1912-H1915 PolarHBondContact O-N 3.47Å; R1913-H1915 VanDerWaalsContact C-N 3.32Å; H1915-L1917 VanDerWaalsContact C-N 3.32Å; H1915-L1917 PolarHBondContact O-N 2.99Å; H1915-I1918 CarbonylContact O-C 3.08Å; H1915-I1918 PolarHBondContact O-N 2.83Å; H1915-D1919 WeakPolarHBondContact O-CB 3.44Å; H1915-D1919 PolarHBondContact O-N 3.47Å
1916E65.4Low62.5Low102 Ų10295.8 Ų95.848%0.47746%0.46SS..Hα-helixtrans-65.3-31.6169.4-77.3-154.7145.400112.8E1912 R1920E1912-E1916 WeakPolarHBondContact O-CB 3.17Å; E1912-E1916 PolarHBondContact O-N 2.63Å; E1916-R1920 WeakPolarHBondContact O-CA 3.48Å; E1916-R1920 WeakPolarHBondContact O-CB 3.44Å; E1916-R1920 VanDerWaalsContact O-CD 3.25Å; E1916-R1920 WeakPolarHBondContact O-CD 3.31Å; E1916-R1920 WeakPolarHBondContact O-CG 3.07Å; E1916-R1920 PolarHBondContact O-N 3.3Å; E1916-R1920 IonicContact OE1-NH2 2.8Å; E1916-R1920 PolarHBondContact OE1-NH2 3.37Å; E1916-R1920 IonicContact OE2-CZ 2.72Å; E1916-R1920 IonicContact OE2-NE 2.75Å; E1916-R1920 IonicContact OE2-NH2 3.96Å; E1916-R1920 PolarHBondContact OE2-NH2 3.13Å
1917L62.7Low62Low80 Ų8093.6 Ų93.642%0.41946%0.459SS..Hα-helixtrans-82.5-20.6173.8-167.272.9000110.9R1913 M1914 H1915 L1921R1913-L1917 VanDerWaalsContact O-CA 3.24Å; R1913-L1917 WeakPolarHBondContact O-CA 3.22Å; R1913-L1917 WeakPolarHBondContact O-CB 3.39Å; R1913-L1917 PolarHBondContact O-N 3.16Å; M1914-L1917 CarbonylContact O-C 3.54Å; H1915-L1917 VanDerWaalsContact C-N 3.32Å; H1915-L1917 PolarHBondContact O-N 2.99Å; L1917-L1921 HydrophobicContact CD1-CG 4.32Å; L1917-L1921 HydrophobicContact CD2-CD1 4.18Å; L1917-L1921 HydrophobicContact CG-CD1 3.8Å; L1917-L1921 HydrophobicContact CG-CG 3.99Å; L1917-L1921 VanDerWaalsContact O-CA 3.23Å; L1917-L1921 WeakPolarHBondContact O-CA 3.49Å; L1917-L1921 WeakPolarHBondContact O-CB 3.34Å; L1917-L1921 WeakPolarHBondContact O-CD1 3.37Å; L1917-L1921 WeakPolarHBondContact O-CG 3.32Å; L1917-L1921 PolarHBondContact O-N 2.85Å
1918I67.3Low61.2Low74 Ų7497.7 Ų97.738%0.37947%0.465SS..Hα-helixtrans-77.8-30.8167.4-78.8162.1000109.2M1914 H1915 L1921 N1922M1914-I1918 HydrophobicContact CB-CD1 4.45Å; M1914-I1918 HydrophobicContact CE-CD1 4.26Å; M1914-I1918 VanDerWaalsContact O-CA 3.32Å; M1914-I1918 WeakPolarHBondContact O-CA 3.18Å; M1914-I1918 WeakPolarHBondContact O-CB 3.43Å; M1914-I1918 VanDerWaalsContact O-CD1 3.25Å; M1914-I1918 WeakPolarHBondContact O-CD1 3.46Å; M1914-I1918 WeakPolarHBondContact O-CG1 3.49Å; M1914-I1918 PolarHBondContact O-N 3.11Å; H1915-I1918 CarbonylContact O-C 3.08Å; H1915-I1918 PolarHBondContact O-N 2.83Å; I1918-L1921 CarbonylContact O-C 3.5Å; I1918-N1922 WeakPolarHBondContact CG2-ND2 3.36Å; I1918-N1922 WeakPolarHBondContact O-CA 3.5Å; I1918-N1922 WeakPolarHBondContact O-CB 3.45Å; I1918-N1922 PolarHBondContact O-N 3.08Å; I1918-N1922 PolarHBondContact O-ND2 3.29Å
1919D64.7Low60.5Low107 Ų10795.8 Ų95.857%0.57246%0.461SS*.Hα-helixtrans-80.2-38.8171.8-82.8-23.2000112.2H1915 N1922 S1923H1915-D1919 WeakPolarHBondContact O-CB 3.44Å; H1915-D1919 PolarHBondContact O-N 3.47Å; D1919-N1922 PolarHBondContact O-N 3.47Å; D1919-S1923 VanDerWaalsContact O-CB 3.25Å; D1919-S1923 WeakPolarHBondContact O-CB 3.39Å; D1919-S1923 PolarHBondContact O-N 2.94Å; D1919-S1923 PolarHBondContact O-OG 3.12Å
1920R62.1Low59.8Low140 Ų140102.3 Ų102.353%0.52848%0.483SS..Hα-helixtrans-72.7-26.3170.4-64.7162.8-164.4-142.58.5111.6E1916 K1924E1916-R1920 WeakPolarHBondContact O-CA 3.48Å; E1916-R1920 WeakPolarHBondContact O-CB 3.44Å; E1916-R1920 VanDerWaalsContact O-CD 3.25Å; E1916-R1920 WeakPolarHBondContact O-CD 3.31Å; E1916-R1920 WeakPolarHBondContact O-CG 3.07Å; E1916-R1920 PolarHBondContact O-N 3.3Å; E1916-R1920 IonicContact OE1-NH2 2.8Å; E1916-R1920 PolarHBondContact OE1-NH2 3.37Å; E1916-R1920 IonicContact OE2-CZ 2.72Å; E1916-R1920 IonicContact OE2-NE 2.75Å; E1916-R1920 IonicContact OE2-NH2 3.96Å; E1916-R1920 PolarHBondContact OE2-NH2 3.13Å; R1920-K1924 WeakPolarHBondContact O-CA 3.33Å; R1920-K1924 WeakPolarHBondContact O-CB 3.36Å; R1920-K1924 WeakPolarHBondContact O-CG 3.26Å; R1920-K1924 PolarHBondContact O-N 2.68Å
1921L58.4Low58.9Low69 Ų69104.1 Ų104.136%0.36149%0.489SS..Hα-helixtrans-85.5-23.7167.2-71.7167.6000112.1L1917 I1918 S1923 K1924 V1925L1917-L1921 HydrophobicContact CD1-CG 4.32Å; L1917-L1921 HydrophobicContact CD2-CD1 4.18Å; L1917-L1921 HydrophobicContact CG-CD1 3.8Å; L1917-L1921 HydrophobicContact CG-CG 3.99Å; L1917-L1921 VanDerWaalsContact O-CA 3.23Å; L1917-L1921 WeakPolarHBondContact O-CA 3.49Å; L1917-L1921 WeakPolarHBondContact O-CB 3.34Å; L1917-L1921 WeakPolarHBondContact O-CD1 3.37Å; L1917-L1921 WeakPolarHBondContact O-CG 3.32Å; L1917-L1921 PolarHBondContact O-N 2.85Å; I1918-L1921 CarbonylContact O-C 3.5Å; L1921-S1923 VanDerWaalsContact C-N 3.32Å; L1921-K1924 HydrophobicContact CD2-CB 4.42Å; L1921-K1924 CarbonylContact O-C 3.53Å; L1921-K1924 PolarHBondContact O-N 2.98Å; L1921-V1925 HydrophobicContact CB-CG2 4.49Å; L1921-V1925 VanDerWaalsContact O-CA 3.3Å; L1921-V1925 WeakPolarHBondContact O-CA 3.34Å; L1921-V1925 WeakPolarHBondContact O-CB 3.41Å; L1921-V1925 WeakPolarHBondContact O-CG2 3.24Å; L1921-V1925 PolarHBondContact O-N 3.41Å
1922N58.5Low58.1Low71 Ų71102 Ų10238%0.3848%0.484SS..Hα-helixtrans-70.5-39.7167.9-81.6-34.7000108.7I1918 D1919 R1926I1918-N1922 WeakPolarHBondContact CG2-ND2 3.36Å; I1918-N1922 WeakPolarHBondContact O-CA 3.5Å; I1918-N1922 WeakPolarHBondContact O-CB 3.45Å; I1918-N1922 PolarHBondContact O-N 3.08Å; I1918-N1922 PolarHBondContact O-ND2 3.29Å; D1919-N1922 PolarHBondContact O-N 3.47Å; N1922-R1926 VanDerWaalsContact O-CB 3.3Å; N1922-R1926 WeakPolarHBondContact O-CB 3.33Å; N1922-R1926 WeakPolarHBondContact O-CD 3.14Å; N1922-R1926 WeakPolarHBondContact O-CG 3.22Å; N1922-R1926 PolarHBondContact O-N 3Å
1923S54.3Low57.3Low80 Ų80103.4 Ų103.456%0.55949%0.491SS*.Hα-helixtrans-63.6-48.1169.4-57.40000112D1919 L1921 R1926 A1927D1919-S1923 VanDerWaalsContact O-CB 3.25Å; D1919-S1923 WeakPolarHBondContact O-CB 3.39Å; D1919-S1923 PolarHBondContact O-N 2.94Å; D1919-S1923 PolarHBondContact O-OG 3.12Å; L1921-S1923 VanDerWaalsContact C-N 3.32Å; S1923-R1926 PolarHBondContact O-N 3.06Å; S1923-A1927 PolarHBondContact O-N 3.16Å
1924K56.5Low56.6Low114 Ų114106 Ų10650%0.49651%0.507SS..Hα-helixtrans-76.4-22.5178.4-77.6-179.3176.6-174.10114.2R1920 L1921 A1927 Y1928R1920-K1924 WeakPolarHBondContact O-CA 3.33Å; R1920-K1924 WeakPolarHBondContact O-CB 3.36Å; R1920-K1924 WeakPolarHBondContact O-CG 3.26Å; R1920-K1924 PolarHBondContact O-N 2.68Å; L1921-K1924 HydrophobicContact CD2-CB 4.42Å; L1921-K1924 CarbonylContact O-C 3.53Å; L1921-K1924 PolarHBondContact O-N 2.98Å; K1924-A1927 CarbonylContact O-C 3.59Å; K1924-A1927 PolarHBondContact O-N 3.3Å; K1924-Y1928 HydrophobicContact CB-CD2 4.12Å; K1924-Y1928 HydrophobicContact CB-CE2 4.24Å; K1924-Y1928 HydrophobicContact CD-CE2 4.49Å; K1924-Y1928 WeakPolarHBondContact O-CA 3.23Å; K1924-Y1928 WeakPolarHBondContact O-CB 3.48Å; K1924-Y1928 WeakPolarHBondContact O-CD2 3.49Å; K1924-Y1928 PolarHBondContact O-N 2.87Å
1925V55.8Low55.6Low79 Ų79104 Ų10448%0.47951%0.507SS..Hα-helixtrans-80.4-32.2171.9168.60000108.7L1921 A1927 K1929L1921-V1925 HydrophobicContact CB-CG2 4.49Å; L1921-V1925 VanDerWaalsContact O-CA 3.3Å; L1921-V1925 WeakPolarHBondContact O-CA 3.34Å; L1921-V1925 WeakPolarHBondContact O-CB 3.41Å; L1921-V1925 WeakPolarHBondContact O-CG2 3.24Å; L1921-V1925 PolarHBondContact O-N 3.41Å; V1925-A1927 VanDerWaalsContact C-N 3.32Å; V1925-K1929 WeakPolarHBondContact O-CA 3.33Å; V1925-K1929 WeakPolarHBondContact O-CB 3.44Å; V1925-K1929 PolarHBondContact O-N 2.8Å
1926R52.9Low54.6Low174 Ų174104.8 Ų104.866%0.65752%0.519SS*.Hα-helixtrans-64.8-36.8165.6-70.2165.8-165.8-169.73.9111.5N1922 S1923N1922-R1926 VanDerWaalsContact O-CB 3.3Å; N1922-R1926 WeakPolarHBondContact O-CB 3.33Å; N1922-R1926 WeakPolarHBondContact O-CD 3.14Å; N1922-R1926 WeakPolarHBondContact O-CG 3.22Å; N1922-R1926 PolarHBondContact O-N 3Å; S1923-R1926 PolarHBondContact O-N 3.06Å
1927A54.6Low53.4Low50 Ų50103.5 Ų103.541%0.41353%0.534SS..Hα-helixtrans-71.7-45.9172.300000113.4S1923 K1924 V1925 K1929 R1930 Q1931S1923-A1927 PolarHBondContact O-N 3.16Å; K1924-A1927 CarbonylContact O-C 3.59Å; K1924-A1927 PolarHBondContact O-N 3.3Å; V1925-A1927 VanDerWaalsContact C-N 3.32Å; A1927-K1929 VanDerWaalsContact C-N 3.33Å; A1927-K1929 PolarHBondContact O-N 3.17Å; A1927-R1930 WeakPolarHBondContact O-CA 3.47Å; A1927-R1930 WeakPolarHBondContact O-CB 3.43Å; A1927-R1930 PolarHBondContact O-N 3.02Å; A1927-R1930 VanDerWaalsContact O-N 3.12Å; A1927-Q1931 PolarHBondContact O-N 2.91Å
1928Y52.2Low52.1Low133 Ų133108.3 Ų108.352%0.52255%0.551SS.*Hα-helixtrans-73.4-21.7178.5-77.3-53.8000112.5K1924 R1930 Q1931 A1932K1924-Y1928 HydrophobicContact CB-CD2 4.12Å; K1924-Y1928 HydrophobicContact CB-CE2 4.24Å; K1924-Y1928 HydrophobicContact CD-CE2 4.49Å; K1924-Y1928 WeakPolarHBondContact O-CA 3.23Å; K1924-Y1928 WeakPolarHBondContact O-CB 3.48Å; K1924-Y1928 WeakPolarHBondContact O-CD2 3.49Å; K1924-Y1928 PolarHBondContact O-N 2.87Å; Y1928-R1930 VanDerWaalsContact C-N 3.29Å; Y1928-Q1931 HydrophobicContact CD1-CB 4.33Å; Y1928-Q1931 CarbonylContact O-C 3.51Å; Y1928-Q1931 PolarHBondContact O-N 3.43Å; Y1928-A1932 WeakPolarHBondContact O-CA 3.33Å; Y1928-A1932 WeakPolarHBondContact O-CB 3.36Å; Y1928-A1932 PolarHBondContact O-N 2.78Å
1929K50.6Low50.5Low103 Ų103108.9 Ų108.945%0.44857%0.567SS.*Hα-helixtrans-68.1-32167.9-169165.4-175.8170.70110.6V1925 A1927 E1933V1925-K1929 WeakPolarHBondContact O-CA 3.33Å; V1925-K1929 WeakPolarHBondContact O-CB 3.44Å; V1925-K1929 PolarHBondContact O-N 2.8Å; A1927-K1929 VanDerWaalsContact C-N 3.33Å; A1927-K1929 PolarHBondContact O-N 3.17Å; K1929-E1933 PolarHBondContact O-N 2.84Å
1930R51.8Low49Very low199 Ų199108.8 Ų108.875%0.75158%0.581SS**Hα-helixtrans-73.1-36167.8-73.6-175.4173.7170.5-0.2113.6A1927 Y1928A1927-R1930 WeakPolarHBondContact O-CA 3.47Å; A1927-R1930 WeakPolarHBondContact O-CB 3.43Å; A1927-R1930 PolarHBondContact O-N 3.02Å; A1927-R1930 VanDerWaalsContact O-N 3.12Å; Y1928-R1930 VanDerWaalsContact C-N 3.29Å
1931Q47.7Very low47.8Very low109 Ų109108.6 Ų108.651%0.50960%0.595SS.*Hα-helixtrans-80.9-18.4174.9-67.2-173-39.300114.3A1927 Y1928 E1934 A1935A1927-Q1931 PolarHBondContact O-N 2.91Å; Y1928-Q1931 HydrophobicContact CD1-CB 4.33Å; Y1928-Q1931 CarbonylContact O-C 3.51Å; Y1928-Q1931 PolarHBondContact O-N 3.43Å; Q1931-E1934 PolarHBondContact O-N 3.42Å; Q1931-A1935 PolarHBondContact O-N 3.2Å
1932A47.5Very low46.7Very low44 Ų44109.7 Ų109.736%0.36461%0.614SS.*Hα-helixtrans-80.7-30.5175.300000111.8Y1928 E1934 A1935 V1936Y1928-A1932 WeakPolarHBondContact O-CA 3.33Å; Y1928-A1932 WeakPolarHBondContact O-CB 3.36Å; Y1928-A1932 PolarHBondContact O-N 2.78Å; A1932-E1934 PolarHBondContact O-N 3.45Å; A1932-A1935 PolarHBondContact O-N 2.81Å; A1932-V1936 WeakPolarHBondContact O-CG2 3.37Å; A1932-V1936 PolarHBondContact O-N 2.84Å
1933E47.8Very low45.9Very low125 Ų125109.5 Ų109.558%0.58463%0.629SS**Hα-helixtrans-60.8-28.4167.1-75.3-177.1-175.300111.5K1610 K1929K1610-E1933 IonicContact NZ-OE2 2.75Å; K1610-E1933 PolarHBondContact NZ-OE2 2.96Å; K1610-E1933 VanDerWaalsContact NZ-OE2 3.12Å; K1929-E1933 PolarHBondContact O-N 2.84Å
1934E48.8Very low44.6Very low159 Ų159117.4 Ų117.474%0.74365%0.646SS**THydrogen-bonded Turntrans-76-19.4168.4-71.9-173.311600114.2Q1931 A1932Q1931-E1934 PolarHBondContact O-N 3.42Å; A1932-E1934 PolarHBondContact O-N 3.45Å
1935A42.9Very low43.9Very low55 Ų55117 Ų11746%0.45566%0.656SS.*THydrogen-bonded Turntrans-102.2-31.6-168.800000114.6Q1931 A1932 G1937 K1938Q1931-A1935 PolarHBondContact O-N 3.2Å; A1932-A1935 PolarHBondContact O-N 2.81Å; A1935-G1937 PolarHBondContact O-N 3.13Å; A1935-K1938 PolarHBondContact O-N 3.07Å
1936V44.9Very low42.9Very low134 Ų134118.6 Ų118.681%0.81266%0.661SS**THydrogen-bonded Turntrans-60.9-17.9-179.7171.60000112.7A1932A1932-V1936 WeakPolarHBondContact O-CG2 3.37Å; A1932-V1936 PolarHBondContact O-N 2.84Å
1937G39.9Very low42.3Very low75 Ų75119 Ų11977%0.77367%0.668SS**THydrogen-bonded Turntrans-76.6-6.7171.500000116.4A1935A1935-G1937 PolarHBondContact O-N 3.13Å
1938K35.1Very low41.5Very low180 Ų180123.9 Ų123.978%0.78368%0.682SS**SBendtrans-123.8110.7179.6-86.7-175.7177.1172.10113.1A1935A1935-K1938 PolarHBondContact O-N 3.07Å
1939A32.9Very low41.4Very low87 Ų87124.7 Ų124.772%0.71969%0.691SS**  trans58.6104.3170.200000114.6
1940A34.1Very low41.3Very low105 Ų105126.6 Ų126.687%0.86870%0.704SS**  cis55.649.315.800000114.3
1941V37.1Very low41.2Very low135 Ų135120 Ų12082%0.81869%0.693SS**  trans-176.8136.6156.9138.30000107.4
1942A34.9Very low41.7Very low92 Ų92117.3 Ų117.376%0.7669%0.689SS**  cis-165.3161.4-19.800000109.5
1943G41.9Very low41.9Very low67 Ų67121 Ų12169%0.69170%0.7SS**  trans83.8141.317300000114.3
1944W27Very low41.9Very low246 Ų246119.9 Ų119.993%0.93270%0.698SS**  cis58.2140.120.1-65.951.8000115.2
1945P41.9Very low42Very low107 Ų107116.3 Ų116.370%0.69568%0.684SS**  cis-113.3168.2-3.645.5-34.1000111
1946N34.8Very low42.7Very low111 Ų111117.4 Ų117.459%0.59469%0.688SS**  cis66121.642.8-157.2-10.1000113.7
1947K39.5Very low43Very low182 Ų182117.3 Ų117.379%0.79168%0.677SS**  trans60.2103-173.4-45.7170.3-173.2176.10112.4
1948E37.6Very low43.3Very low154 Ų154120.3 Ų120.372%0.7267%0.666SS**SBend-126.618.753.5-66.3-175.6125.400115.1I1950 A1951 A1952E1948-I1950 PolarHBondContact O-N 3.26Å; E1948-A1951 HydrophobicContact CB-CB 4.49Å; E1948-A1951 CarbonylContact O-C 3.4Å; E1948-A1951 WeakPolarHBondContact O-CA 3.26Å; E1948-A1951 PolarHBondContact O-N 3.3Å; E1948-A1952 PolarHBondContact O-N 3.38Å
1949Q50.3Low44.3Very low149 Ų149119.2 Ų119.270%0.69666%0.656SS**THydrogen-bonded Turntrans-58.2-2.5-172.5-82.8169-5300117.7M1953Q1949-M1953 WeakPolarHBondContact O-CB 3.44Å; Q1949-M1953 PolarHBondContact O-N 2.82Å
1950I48.7Very low45.5Very low143 Ų143120.6 Ų120.673%0.73365%0.648SS**THydrogen-bonded Turntrans-88.4-41.6165.5-62.4174.9000110.8E1948 N1954E1948-I1950 PolarHBondContact O-N 3.26Å; I1950-N1954 WeakPolarHBondContact O-CB 3.47Å; I1950-N1954 PolarHBondContact O-N 2.95Å
1951A50Low46.5Very low61 Ų61118.6 Ų118.650%0.50463%0.627SS.*Hα-helixtrans-72.6-45172.300000111.3E1948 M1953 N1954 L1955E1948-A1951 HydrophobicContact CB-CB 4.49Å; E1948-A1951 CarbonylContact O-C 3.4Å; E1948-A1951 WeakPolarHBondContact O-CA 3.26Å; E1948-A1951 PolarHBondContact O-N 3.3Å; A1951-M1953 PolarHBondContact O-N 2.89Å; A1951-N1954 CarbonylContact O-C 3.26Å; A1951-N1954 PolarHBondContact O-N 2.98Å; A1951-L1955 WeakPolarHBondContact O-CB 3.33Å; A1951-L1955 PolarHBondContact O-N 3.49Å
1952A58.2Low47.2Very low52 Ų52115.4 Ų115.443%0.4360%0.603SS.*Hα-helixtrans-68.7-30179.400000113.1E1948 L1955 S1956E1948-A1952 PolarHBondContact O-N 3.38Å; A1952-L1955 PolarHBondContact O-N 2.73Å; A1952-S1956 WeakPolarHBondContact O-CB 3.46Å; A1952-S1956 PolarHBondContact O-N 2.93Å
1953M51.2Low48.5Very low121 Ų121115.7 Ų115.760%0.59659%0.592SS**Hα-helixtrans-78.2-28.4174.1-164.4158.569.100112.1Q1949 A1951 K1957Q1949-M1953 WeakPolarHBondContact O-CB 3.44Å; Q1949-M1953 PolarHBondContact O-N 2.82Å; A1951-M1953 PolarHBondContact O-N 2.89Å; M1953-K1957 WeakPolarHBondContact O-CB 3.42Å; M1953-K1957 WeakPolarHBondContact O-CG 3.36Å; M1953-K1957 PolarHBondContact O-N 3.33Å
1954N47.8Very low49.3Very low103 Ų103116.7 Ų116.755%0.55158%0.579SS**Hα-helixtrans-81.6-19.6167-80-13.5000114.1I1950 A1951 Y1958I1950-N1954 WeakPolarHBondContact O-CB 3.47Å; I1950-N1954 PolarHBondContact O-N 2.95Å; A1951-N1954 CarbonylContact O-C 3.26Å; A1951-N1954 PolarHBondContact O-N 2.98Å; N1954-Y1958 WeakPolarHBondContact O-CA 3.44Å; N1954-Y1958 WeakPolarHBondContact O-CB 3.43Å; N1954-Y1958 PolarHBondContact O-N 3.43Å
1955L51.5Low50.9Low84 Ų84108.8 Ų108.844%0.4455%0.554SS.*Hα-helixtrans-86.2-23.7170.2-152.780000111.6A1951 A1952 Y1958 R1959A1951-L1955 WeakPolarHBondContact O-CB 3.33Å; A1951-L1955 PolarHBondContact O-N 3.49Å; A1952-L1955 PolarHBondContact O-N 2.73Å; L1955-Y1958 HydrophobicContact CD1-CD1 4.46Å; L1955-R1959 VanDerWaalsContact O-CB 3.22Å; L1955-R1959 WeakPolarHBondContact O-CB 3.49Å; L1955-R1959 VanDerWaalsContact O-CG 3.27Å; L1955-R1959 WeakPolarHBondContact O-CG 3.41Å; L1955-R1959 PolarHBondContact O-N 2.83Å
1956S58.1Low52Low77 Ų77109 Ų10954%0.53855%0.546SS..Hα-helixtrans-75-41.4165.2-172.30000110.5A1952 R1959 H1960A1952-S1956 WeakPolarHBondContact O-CB 3.46Å; A1952-S1956 PolarHBondContact O-N 2.93Å; S1956-R1959 CarbonylContact O-C 3.54Å; S1956-R1959 PolarHBondContact O-N 2.77Å; S1956-H1960 VanDerWaalsContact O-CB 3.27Å; S1956-H1960 WeakPolarHBondContact O-CB 3.28Å; S1956-H1960 PolarHBondContact O-N 2.88Å
1957K51.1Low53.1Low133 Ų133108.4 Ų108.458%0.57854%0.54SS*.Hα-helixtrans-65.7-35.7166.4-73.8-179.2178.2-173.40112.2M1953 S1961M1953-K1957 WeakPolarHBondContact O-CB 3.42Å; M1953-K1957 WeakPolarHBondContact O-CG 3.36Å; M1953-K1957 PolarHBondContact O-N 3.33Å; K1957-S1961 WeakPolarHBondContact O-CA 3.05Å; K1957-S1961 WeakPolarHBondContact O-CB 3.42Å; K1957-S1961 PolarHBondContact O-N 2.97Å; K1957-S1961 PolarHBondContact O-OG 3.49Å
1958Y45Very low54.4Low138 Ų138101.5 Ų101.554%0.54152%0.517SS..Hα-helixtrans-70.3-29.6171.6-171.1-96.4000111.8N1954 L1955 S1961 Q1962N1954-Y1958 WeakPolarHBondContact O-CA 3.44Å; N1954-Y1958 WeakPolarHBondContact O-CB 3.43Å; N1954-Y1958 PolarHBondContact O-N 3.43Å; L1955-Y1958 HydrophobicContact CD1-CD1 4.46Å; Y1958-S1961 CarbonylContact O-C 3.42Å; Y1958-Q1962 HydrophobicContact CD1-CB 4.47Å; Y1958-Q1962 VanDerWaalsContact O-CA 3.31Å; Y1958-Q1962 WeakPolarHBondContact O-CA 3.31Å; Y1958-Q1962 WeakPolarHBondContact O-CB 3.31Å; Y1958-Q1962 PolarHBondContact O-N 3.35Å
1959R57.3Low55.3Low156 Ų15698.8 Ų98.859%0.58950%0.504SS*.Hα-helixtrans-84.3-25.6174.2-77.8175.8177.7166.31114.1L1955 S1956 N1963L1955-R1959 VanDerWaalsContact O-CB 3.22Å; L1955-R1959 WeakPolarHBondContact O-CB 3.49Å; L1955-R1959 VanDerWaalsContact O-CG 3.27Å; L1955-R1959 WeakPolarHBondContact O-CG 3.41Å; L1955-R1959 PolarHBondContact O-N 2.83Å; S1956-R1959 CarbonylContact O-C 3.54Å; S1956-R1959 PolarHBondContact O-N 2.77Å; R1959-N1963 WeakPolarHBondContact O-CB 3.25Å; R1959-N1963 VanDerWaalsContact O-CG 3.31Å; R1959-N1963 PolarHBondContact O-N 2.79Å; R1959-N1963 PolarHBondContact O-OD1 3.04Å
1960H57.2Low55.6Low117 Ų11798.7 Ų98.754%0.54250%0.504SS..Hα-helixtrans-74.3-41.9166.8-168.167.3000109.8S1956 Q1962 N1963 Q1964S1956-H1960 VanDerWaalsContact O-CB 3.27Å; S1956-H1960 WeakPolarHBondContact O-CB 3.28Å; S1956-H1960 PolarHBondContact O-N 2.88Å; H1960-Q1962 VanDerWaalsContact C-N 3.33Å; H1960-N1963 PolarHBondContact O-N 2.99Å; H1960-Q1964 PolarHBondContact CD2-NE2 3.35Å; H1960-Q1964 PolarHBondContact NE2-NE2 2.96Å; H1960-Q1964 WeakPolarHBondContact O-CB 3.3Å; H1960-Q1964 WeakPolarHBondContact O-CG 3.42Å; H1960-Q1964 PolarHBondContact O-N 2.77Å
1961S54.5Low56.3Low62 Ų6299 Ų9943%0.43450%0.496SS..Hα-helixtrans-76-13170.8-63.80000114.2K1957 Y1958 Q1964 L1965K1957-S1961 WeakPolarHBondContact O-CA 3.05Å; K1957-S1961 WeakPolarHBondContact O-CB 3.42Å; K1957-S1961 PolarHBondContact O-N 2.97Å; K1957-S1961 PolarHBondContact O-OG 3.49Å; Y1958-S1961 CarbonylContact O-C 3.42Å; S1961-Q1964 CarbonylContact O-C 3.41Å; S1961-Q1964 PolarHBondContact OG-OE1 2.74Å; S1961-L1965 WeakPolarHBondContact O-CA 3.1Å; S1961-L1965 WeakPolarHBondContact O-CB 3.33Å; S1961-L1965 PolarHBondContact O-N 2.78Å
1962Q53.3Low56.8Low68 Ų6898.2 Ų98.232%0.31849%0.489SS..Hα-helixtrans-94.4-22.2169.3-179.1176.43800111.2Y1958 H1960 L1965 Q1966Y1958-Q1962 HydrophobicContact CD1-CB 4.47Å; Y1958-Q1962 VanDerWaalsContact O-CA 3.31Å; Y1958-Q1962 WeakPolarHBondContact O-CA 3.31Å; Y1958-Q1962 WeakPolarHBondContact O-CB 3.31Å; Y1958-Q1962 PolarHBondContact O-N 3.35Å; H1960-Q1962 VanDerWaalsContact C-N 3.33Å; Q1962-L1965 PolarHBondContact O-N 3.27Å; Q1962-Q1966 VanDerWaalsContact O-CB 3.28Å; Q1962-Q1966 WeakPolarHBondContact O-CB 3.3Å; Q1962-Q1966 VanDerWaalsContact O-CG 3.29Å; Q1962-Q1966 WeakPolarHBondContact O-CG 3.35Å; Q1962-Q1966 PolarHBondContact O-N 3.15Å
1963N61.8Low56.6Low99 Ų99101.6 Ų101.653%0.52950%0.5SS..Hα-helixtrans-70.3-39.5157.4-78.112.4000110R1959 H1960 L1965 Q1966 E1967R1959-N1963 WeakPolarHBondContact O-CB 3.25Å; R1959-N1963 VanDerWaalsContact O-CG 3.31Å; R1959-N1963 PolarHBondContact O-N 2.79Å; R1959-N1963 PolarHBondContact O-OD1 3.04Å; H1960-N1963 PolarHBondContact O-N 2.99Å; N1963-L1965 VanDerWaalsContact C-N 3.31Å; N1963-Q1966 PolarHBondContact O-N 3.49Å; N1963-E1967 VanDerWaalsContact O-CB 3.23Å; N1963-E1967 WeakPolarHBondContact O-CB 3.46Å; N1963-E1967 VanDerWaalsContact O-CG 3.26Å; N1963-E1967 WeakPolarHBondContact O-CG 3.24Å; N1963-E1967 PolarHBondContact O-N 3.2Å
1964Q57.9Low56.8Low87 Ų87101.7 Ų101.741%0.40750%0.502SS..Hα-helixtrans-71.1-24.4169.9-63.7161.1-12.800112.2H1960 S1961 A1968H1960-Q1964 PolarHBondContact CD2-NE2 3.35Å; H1960-Q1964 PolarHBondContact NE2-NE2 2.96Å; H1960-Q1964 WeakPolarHBondContact O-CB 3.3Å; H1960-Q1964 WeakPolarHBondContact O-CG 3.42Å; H1960-Q1964 PolarHBondContact O-N 2.77Å; S1961-Q1964 CarbonylContact O-C 3.41Å; S1961-Q1964 PolarHBondContact OG-OE1 2.74Å; Q1964-A1968 WeakPolarHBondContact O-CB 3.34Å; Q1964-A1968 PolarHBondContact O-N 3.31Å
1965L62Low57.4Low80 Ų8099.4 Ų99.442%0.41950%0.498SS..Hα-helixtrans-78.9-40.6172.3-159.675.3000110.6S1961 Q1962 N1963 A1968 E1969S1961-L1965 WeakPolarHBondContact O-CA 3.1Å; S1961-L1965 WeakPolarHBondContact O-CB 3.33Å; S1961-L1965 PolarHBondContact O-N 2.78Å; Q1962-L1965 PolarHBondContact O-N 3.27Å; N1963-L1965 VanDerWaalsContact C-N 3.31Å; L1965-A1968 CarbonylContact O-C 3.3Å; L1965-A1968 VanDerWaalsContact O-C 3.31Å; L1965-A1968 WeakPolarHBondContact O-CA 3.19Å; L1965-A1968 PolarHBondContact O-N 2.86Å; L1965-E1969 HydrophobicContact CG-CG 4.31Å; L1965-E1969 VanDerWaalsContact O-CB 3.28Å; L1965-E1969 WeakPolarHBondContact O-CB 3.31Å; L1965-E1969 WeakPolarHBondContact O-CG 3.3Å; L1965-E1969 PolarHBondContact O-N 2.88Å
1966Q64.5Low57.6Low112 Ų112101.8 Ų101.852%0.52351%0.506SS..Hα-helixtrans-70.2-34.3173-72.7-167.7-95.300111.4Q1962 N1963 A1968 E1969 E1970Q1962-Q1966 VanDerWaalsContact O-CB 3.28Å; Q1962-Q1966 WeakPolarHBondContact O-CB 3.3Å; Q1962-Q1966 VanDerWaalsContact O-CG 3.29Å; Q1962-Q1966 WeakPolarHBondContact O-CG 3.35Å; Q1962-Q1966 PolarHBondContact O-N 3.15Å; N1963-Q1966 PolarHBondContact O-N 3.49Å; Q1966-A1968 VanDerWaalsContact C-N 3.27Å; Q1966-A1968 PolarHBondContact O-N 2.77Å; Q1966-E1969 PolarHBondContact O-N 3.01Å; Q1966-E1970 WeakPolarHBondContact O-CB 3.35Å; Q1966-E1970 WeakPolarHBondContact O-CG 3.41Å; Q1966-E1970 PolarHBondContact O-N 2.86Å
1967E57.3Low57.5Low98 Ų98103.6 Ų103.646%0.45851%0.51SS..Hα-helixtrans-67.8-25.9165-75.1-178.4-165.800112.1N1963 R1971N1963-E1967 VanDerWaalsContact O-CB 3.23Å; N1963-E1967 WeakPolarHBondContact O-CB 3.46Å; N1963-E1967 VanDerWaalsContact O-CG 3.26Å; N1963-E1967 WeakPolarHBondContact O-CG 3.24Å; N1963-E1967 PolarHBondContact O-N 3.2Å; E1967-R1971 WeakPolarHBondContact O-CB 3.42Å; E1967-R1971 WeakPolarHBondContact O-CD 3.37Å; E1967-R1971 WeakPolarHBondContact O-CG 3.22Å; E1967-R1971 PolarHBondContact O-N 2.99Å; E1967-R1971 VanDerWaalsContact O-N 3.1Å; E1967-R1971 PolarHBondContact O-NE 3.34Å; E1967-R1971 IonicContact OE2-CZ 2.74Å; E1967-R1971 IonicContact OE2-NH2 3.35Å; E1967-R1971 PolarHBondContact OE2-NH2 2.98Å
1968A66.4Low57.5Low38 Ų38100.2 Ų100.231%0.31450%0.503SS..Hα-helixtrans-85.4-21.7174.300000113.4Q1964 L1965 Q1966 R1971 A1972Q1964-A1968 WeakPolarHBondContact O-CB 3.34Å; Q1964-A1968 PolarHBondContact O-N 3.31Å; L1965-A1968 CarbonylContact O-C 3.3Å; L1965-A1968 VanDerWaalsContact O-C 3.31Å; L1965-A1968 WeakPolarHBondContact O-CA 3.19Å; L1965-A1968 PolarHBondContact O-N 2.86Å; Q1966-A1968 VanDerWaalsContact C-N 3.27Å; Q1966-A1968 PolarHBondContact O-N 2.77Å; A1968-R1971 CarbonylContact O-C 3.59Å; A1968-R1971 WeakPolarHBondContact O-CB 3.34Å; A1968-R1971 PolarHBondContact O-N 3.25Å; A1968-A1972 WeakPolarHBondContact O-CB 3.05Å; A1968-A1972 PolarHBondContact O-N 2.88Å
1969E57.4Low58Low96 Ų9697.2 Ų97.245%0.44950%0.496SS..Hα-helixtrans-85.9-36174.4-73.9167.1160.700109.2L1965 Q1966 R1971 A1972 D1973L1965-E1969 HydrophobicContact CG-CG 4.31Å; L1965-E1969 VanDerWaalsContact O-CB 3.28Å; L1965-E1969 WeakPolarHBondContact O-CB 3.31Å; L1965-E1969 WeakPolarHBondContact O-CG 3.3Å; L1965-E1969 PolarHBondContact O-N 2.88Å; Q1966-E1969 PolarHBondContact O-N 3.01Å; E1969-R1971 PolarHBondContact O-N 3.4Å; E1969-A1972 PolarHBondContact O-N 3.1Å; E1969-D1973 PolarHBondContact O-N 2.95Å
1970E56.4Low57.5Low147 Ų14793.6 Ų93.669%0.68750%0.5SS*.Hα-helixtrans-62.4-31160.2-76.2-166.7158.800111.7Q1966 L1974Q1966-E1970 WeakPolarHBondContact O-CB 3.35Å; Q1966-E1970 WeakPolarHBondContact O-CG 3.41Å; Q1966-E1970 PolarHBondContact O-N 2.86Å; E1970-L1974 WeakPolarHBondContact O-CB 3.43Å; E1970-L1974 PolarHBondContact O-N 2.74Å
1971R62.7Low57Low151 Ų15197 Ų9757%0.5751%0.513SS*.Hα-helixtrans-73.3-33.6167.2-69.9159.8-142.1175.63.2112.2E1967 A1968 E1969 A1975E1967-R1971 WeakPolarHBondContact O-CB 3.42Å; E1967-R1971 WeakPolarHBondContact O-CD 3.37Å; E1967-R1971 WeakPolarHBondContact O-CG 3.22Å; E1967-R1971 PolarHBondContact O-N 2.99Å; E1967-R1971 VanDerWaalsContact O-N 3.1Å; E1967-R1971 PolarHBondContact O-NE 3.34Å; E1967-R1971 IonicContact OE2-CZ 2.74Å; E1967-R1971 IonicContact OE2-NH2 3.35Å; E1967-R1971 PolarHBondContact OE2-NH2 2.98Å; A1968-R1971 CarbonylContact O-C 3.59Å; A1968-R1971 WeakPolarHBondContact O-CB 3.34Å; A1968-R1971 PolarHBondContact O-N 3.25Å; E1969-R1971 PolarHBondContact O-N 3.4Å; R1971-A1975 WeakPolarHBondContact O-CB 3.35Å; R1971-A1975 PolarHBondContact O-N 2.93Å
1972A61.8Low56.9Low44 Ų44101.4 Ų101.436%0.36453%0.525SS..Hα-helixtrans-75.1-52.5-178.300000112.3A1968 E1969 L1974 A1975 E1976A1968-A1972 WeakPolarHBondContact O-CB 3.05Å; A1968-A1972 PolarHBondContact O-N 2.88Å; E1969-A1972 PolarHBondContact O-N 3.1Å; A1972-L1974 PolarHBondContact O-N 3.11Å; A1972-A1975 CarbonylContact O-C 3.6Å; A1972-A1975 PolarHBondContact O-N 2.85Å; A1972-E1976 PolarHBondContact O-N 3.08Å
1973D53.6Low56.5Low122 Ų122107.7 Ų107.765%0.65255%0.545SS*.Hα-helixtrans-67-23179.4-86.3-28000112.3E1969 N1977E1969-D1973 PolarHBondContact O-N 2.95Å; D1973-N1977 WeakPolarHBondContact O-CB 3.17Å; D1973-N1977 PolarHBondContact O-N 3.24Å; D1973-N1977 PolarHBondContact O-ND2 3.18Å
1974L56Low55.2Low123 Ų123106.2 Ų106.264%0.64455%0.547SS*.Hα-helixtrans-82.3-36.6165.7-78.4170.4000113.5E1970 A1972 S1978E1970-L1974 WeakPolarHBondContact O-CB 3.43Å; E1970-L1974 PolarHBondContact O-N 2.74Å; A1972-L1974 PolarHBondContact O-N 3.11Å; L1974-S1978 VanDerWaalsContact O-CB 3.32Å; L1974-S1978 WeakPolarHBondContact O-CB 3.46Å; L1974-S1978 PolarHBondContact O-N 3.4Å; L1974-S1978 PolarHBondContact O-OG 2.9Å
1975A58.9Low54.3Low55 Ų55111.9 Ų111.946%0.45557%0.57SS.*Hα-helixtrans-67.6-35.8176.800000112.5R1971 A1972 S1978 L1979R1971-A1975 WeakPolarHBondContact O-CB 3.35Å; R1971-A1975 PolarHBondContact O-N 2.93Å; A1972-A1975 CarbonylContact O-C 3.6Å; A1972-A1975 PolarHBondContact O-N 2.85Å; A1975-S1978 CarbonylContact O-C 3.45Å; A1975-S1978 WeakPolarHBondContact O-CA 3.3Å; A1975-S1978 WeakPolarHBondContact O-CB 3.45Å; A1975-S1978 PolarHBondContact O-N 2.72Å; A1975-S1978 VanDerWaalsContact O-N 3.13Å; A1975-L1979 PolarHBondContact O-N 3.21Å
1976E57.1Low53Low134 Ų134112.2 Ų112.263%0.62658%0.579SS**Hα-helixtrans-89.6-22.7-178.2-57.8-146121.700112.8A1972 S1978 L1979A1972-E1976 PolarHBondContact O-N 3.08Å; E1976-S1978 PolarHBondContact O-N 2.89Å; E1976-L1979 HydrophobicContact CG-CD1 4.41Å; E1976-L1979 WeakPolarHBondContact O-CB 3.26Å; E1976-L1979 PolarHBondContact O-N 3.03Å
1977N54.9Low51.5Low116 Ų116119.1 Ų119.162%0.6260%0.6SS**Hα-helixtrans-63.7-31154.8-87.1-74.4000111.8D1973 L1979D1973-N1977 WeakPolarHBondContact O-CB 3.17Å; D1973-N1977 PolarHBondContact O-N 3.24Å; D1973-N1977 PolarHBondContact O-ND2 3.18Å; N1977-L1979 PolarHBondContact O-N 2.74Å; N1977-L1979 VanDerWaalsContact O-N 3.15Å
1978S52.2Low50.5Low61 Ų61120.1 Ų120.143%0.42762%0.619SS.*Hα-helixtrans-77.124.5166.2-50.90000113.5L1974 A1975 E1976 F1982L1974-S1978 VanDerWaalsContact O-CB 3.32Å; L1974-S1978 WeakPolarHBondContact O-CB 3.46Å; L1974-S1978 PolarHBondContact O-N 3.4Å; L1974-S1978 PolarHBondContact O-OG 2.9Å; A1975-S1978 CarbonylContact O-C 3.45Å; A1975-S1978 WeakPolarHBondContact O-CA 3.3Å; A1975-S1978 WeakPolarHBondContact O-CB 3.45Å; A1975-S1978 PolarHBondContact O-N 2.72Å; A1975-S1978 VanDerWaalsContact O-N 3.13Å; E1976-S1978 PolarHBondContact O-N 2.89Å; S1978-F1982 WeakPolarHBondContact O-CB 3.43Å; S1978-F1982 WeakPolarHBondContact O-CG 3.25Å
1979L54Low49.1Very low75 Ų75124.2 Ų124.239%0.39365%0.645SS.*Hα-helixtrans-122.2-30.5173-145.7166.7000111.9A1975 E1976 N1977 R1983A1975-L1979 PolarHBondContact O-N 3.21Å; E1976-L1979 HydrophobicContact CG-CD1 4.41Å; E1976-L1979 WeakPolarHBondContact O-CB 3.26Å; E1976-L1979 PolarHBondContact O-N 3.03Å; N1977-L1979 PolarHBondContact O-N 2.74Å; N1977-L1979 VanDerWaalsContact O-N 3.15Å; L1979-R1983 WeakPolarHBondContact O-CG 3.31Å; L1979-R1983 PolarHBondContact O-NE 3.3Å
1980A48.5Very low48.5Very low80 Ų80125.8 Ų125.866%0.66167%0.666SS**Hα-helixtrans-97.6-38.9-174.100000115.2
1981K45.9Very low47.6Very low189 Ų189129.5 Ų129.582%0.82268%0.676SS**THydrogen-bonded Turntrans-86.1-21.4166.7-81.7-179.1178.3171.70112.5R1983 A1984K1981-R1983 PolarHBondContact O-N 2.86Å; K1981-A1984 PolarHBondContact O-N 3.19Å; K1981-A1984 VanDerWaalsContact O-O 3.14Å
1982F51.8Low46.7Very low155 Ų155127.2 Ų127.268%0.6867%0.67SS**THydrogen-bonded Turntrans-66.4-2176.7-155.7-95.9000114.3S1978S1978-F1982 WeakPolarHBondContact O-CB 3.43Å; S1978-F1982 WeakPolarHBondContact O-CG 3.25Å
1983R45.2Very low45.6Very low199 Ų199131.8 Ų131.875%0.75169%0.688SS**THydrogen-bonded Turntrans-87.5-10.6174.6-72.3175.8-177.5-169-1.1114.6L1979 K1981L1979-R1983 WeakPolarHBondContact O-CG 3.31Å; L1979-R1983 PolarHBondContact O-NE 3.3Å; K1981-R1983 PolarHBondContact O-N 2.86Å
1984A34.3Very low44.8Very low68 Ų68131 Ų13156%0.56268%0.683SS**SBendtrans-158129.1-178.100000111.7K1981K1981-A1984 PolarHBondContact O-N 3.19Å; K1981-A1984 VanDerWaalsContact O-O 3.14Å
1985K40.4Very low44Very low206 Ų206127.8 Ų127.890%0.89667%0.671SS**SBendcis-132.630.912.2-61.8-177.5178.1-1800113.6
1986S33.5Very low42.9Very low88 Ų88129.9 Ų129.962%0.61568%0.675SS**  trans36.2104.3156.1-48.90000120
1987R33.3Very low41.7Very low256 Ų256127.6 Ų127.697%0.96667%0.665SS**  trans178.91.1132.3-102.5171.5-178.4-164.5-2117.8
1988S35.3Very low40.5Very low120 Ų120125.8 Ų125.884%0.83965%0.652SS**  trans-139.1156-17559.10000115.9
1989S38.6Very low39.7Very low124 Ų124128 Ų12887%0.86766%0.663SS**  trans78.8103.2177-146.50000117.6
1990S43.2Very low38.8Very low128 Ų128127.4 Ų127.490%0.89566%0.659SS**  trans-166.692.3150.2-1050000109.4
1991Y38.8Very low38.3Very low225 Ų225130.5 Ų130.588%0.88266%0.661SS**  trans-117.3147.2174.6-117-96.8000108.5
1992K42.8Very low37.7Very low103 Ų103126.4 Ų126.445%0.44865%0.653SS.*  trans73.8106.3174.2-62.4171.1171-92.80117.4S1886S1886-K1992 PolarHBondContact O-NZ 2.87Å; S1886-K1992 WeakPolarHBondContact OG-CE 3.43Å
1993N39.7Very low37.1Very low140 Ų140125.6 Ų125.675%0.74966%0.655SS**  trans-154.4147.5131.9-110.1-11.7000110.8
1994L35.5Very low36.2Very low105 Ų105121.6 Ų121.655%0.5566%0.657SS.*  trans21.2121163.2-67.672.2000118.1
1995S40.7Very low35.8Very low56 Ų56125 Ų12539%0.39267%0.671SS.*  cis58.746.57.191.50000117N1893N1893-S1995 WeakPolarHBondContact CB-OG 3.31Å; N1893-S1995 PolarHBondContact ND2-OG 2.72Å
1996N34.5Very low35.3Very low100 Ų100119.1 Ų119.154%0.53566%0.655SS.*  -72.8162.9127.7-94-1.5000107.9
1997M32.7Very low35.4Very low85 Ų85120.8 Ų120.842%0.41967%0.667SS.*SBendcis179.7109.8-6.7159.5-179.8-66.600105.8L1900L1900-M1997 HydrophobicContact CB-CG 3.97Å; L1900-M1997 HydrophobicContact CD1-CB 3.8Å; L1900-M1997 HydrophobicContact CD1-CE 3.74Å; L1900-M1997 HydrophobicContact CD1-CG 3.69Å; L1900-M1997 HydrophobicContact CD1-SD 4.48Å; L1900-M1997 HydrophobicContact CD2-CE 3.61Å; L1900-M1997 HydrophobicContact CD2-CG 4Å; L1900-M1997 HydrophobicContact CD2-SD 4.15Å; L1900-M1997 HydrophobicContact CG-CE 4.31Å; L1900-M1997 HydrophobicContact CG-CG 4.08Å
1998K29.7Very low35.4Very low79 Ų79118.7 Ų118.734%0.34366%0.659SS.*  trans68.4134.2-170.5-48.7134.3-179.9-171.50112L1897 L1900 E1901 Q1903 I1904L1897-K1998 VanDerWaalsContact CD2-C 3.41Å; L1897-K1998 VanDerWaalsContact CD2-CA 3.49Å; L1897-K1998 VanDerWaalsContact CD2-N 3.34Å; L1900-K1998 HydrophobicContact CB-CG 4.29Å; L1900-K1998 WeakPolarHBondContact O-CE 3.46Å; L1900-K1998 WeakPolarHBondContact O-CG 3.01Å; E1901-K1998 HydrophobicContact CG-CB 4.43Å; E1901-K1998 HydrophobicContact CG-CG 4.16Å; Q1903-K1998 VanDerWaalsContact O-CE 3.24Å; Q1903-K1998 WeakPolarHBondContact O-CE 3.36Å; Q1903-K1998 PolarHBondContact O-NZ 3.38Å; I1904-K1998 HydrophobicContact CB-CD 4.03Å; I1904-K1998 HydrophobicContact CB-CG 4.03Å; I1904-K1998 HydrophobicContact CD1-CB 4.35Å; I1904-K1998 HydrophobicContact CD1-CD 3.61Å; I1904-K1998 HydrophobicContact CD1-CG 3.95Å; I1904-K1998 HydrophobicContact CG1-CD 3.76Å; I1904-K1998 HydrophobicContact CG1-CG 4.21Å
1999T34.9Very low35.1Very low107 Ų107119.6 Ų119.666%0.65666%0.655SS**  cis-120.914912-96.60000116.8E1901E1901-T1999 VanDerWaalsContact CD-CA 3.41Å; E1901-T1999 WeakPolarHBondContact OE1-CA 3.48Å; E1901-T1999 WeakPolarHBondContact OE1-CB 3.05Å; E1901-T1999 VanDerWaalsContact OE1-CG2 3.29Å; E1901-T1999 WeakPolarHBondContact OE1-CG2 3.24Å; E1901-T1999 PolarHBondContact OE1-OG1 3.34Å; E1901-T1999 VanDerWaalsContact OE2-C 3.29Å; E1901-T1999 WeakPolarHBondContact OE2-CA 3.44Å
2000M36.4Very low34.7Very low62 Ų62118 Ų11831%0.30564%0.636SS.*  trans-64.2-170178-91-167.6-160.300114K1898 E1901K1898-M2000 HydrophobicContact CB-CE 3.81Å; K1898-M2000 HydrophobicContact CG-CE 3.74Å; K1898-M2000 HydrophobicContact CG-CG 3.8Å; K1898-M2000 HydrophobicContact CG-SD 4Å; K1898-M2000 VanDerWaalsContact O-CE 3.3Å; K1898-M2000 WeakPolarHBondContact O-CE 3.38Å; E1901-M2000 HydrophobicContact CB-CE 3.49Å; E1901-M2000 VanDerWaalsContact CB-CE 3.49Å; E1901-M2000 HydrophobicContact CB-CG 3.8Å; E1901-M2000 HydrophobicContact CB-SD 3.93Å; E1901-M2000 HydrophobicContact CG-CG 4.3Å; E1901-M2000 WeakPolarHBondContact OE1-CB 3.47Å; E1901-M2000 PolarHBondContact OE1-N 2.99Å; E1901-M2000 WeakPolarHBondContact OE2-CB 3.41Å; E1901-M2000 VanDerWaalsContact OE2-CG 3.31Å; E1901-M2000 WeakPolarHBondContact OE2-CG 3.25Å; E1901-M2000 PolarHBondContact OE2-N 2.91Å
2001M37.6Very low34.1Very low145 Ų145116.4 Ų116.471%0.71463%0.625SS**  trans9690.9147.6-65.4-145.3173.400116.3
2002T32.3Very low33.5Very low104 Ų104115 Ų11564%0.63862%0.624SS**  42.395.2119.653.10000115.8
2003L39.7Very low32.8Very low138 Ų138113.1 Ų113.172%0.72362%0.623SS**  cis59.2115.619.5-59161.5000113.8
2004S27.1Very low32.6Very low114 Ų114115.8 Ų115.880%0.79763%0.631SS**  trans65.4138.9-169.576.40000113.9
2005T26.1Very low33.2Very low141 Ų141116.1 Ų116.187%0.86564%0.643SS**SBendcis-61.3171.1-2.344.80000114.4
2006S29.6Very low33.2Very low81 Ų81116.6 Ų116.657%0.56665%0.649SS**  cis-166.4138.3-34-174.80000105.4R2008S2006-R2008 PolarHBondContact OG-N 2.7Å
2007S34.8Very low32.9Very low124 Ų124117.4 Ų117.487%0.86765%0.653SS**  cis74.814.820.8-54.40000117.2
2008R32.6Very low32.6Very low211 Ų211120.3 Ų120.380%0.79667%0.666SS**  -133.2130.9127.2-72.5-174.5-179.4164.5-1.2103.2S2006S2006-R2008 PolarHBondContact OG-N 2.7Å
2009D29.2Very low32.6Very low139 Ų139123.4 Ų123.474%0.74368%0.679SS**SBendcis-134.4159.933.7-76.1-48.7000113.6
2010L31.8Very low32.6Very low90 Ų90125.2 Ų125.247%0.47169%0.685SS.*  cis-120.3175.2-8-132.496.1000109.6L2017L2010-L2017 HydrophobicContact CB-CD1 3.96Å; L2010-L2017 HydrophobicContact CB-CD2 3.9Å; L2010-L2017 HydrophobicContact CB-CG 4.25Å; L2010-L2017 HydrophobicContact CD1-CD2 4.01Å; L2010-L2017 HydrophobicContact CD2-CD2 4.05Å; L2010-L2017 HydrophobicContact CG-CD2 4.19Å
2011S29.6Very low32.2Very low96 Ų96127.9 Ų127.967%0.67170%0.701SS**  trans-65.9-171.916750.70000112.6S2013S2011-S2013 PolarHBondContact O-N 3.25Å
2012K27Very low31.8Very low196 Ų196123.5 Ų123.585%0.85268%0.68SS**  trans-29.1128138.5-64.5175.3174.9-176.50108.9
2013S27.8Very low31.8Very low62 Ų62126.5 Ų126.543%0.43469%0.687SS.*  -133.8137.756.553.80000115S2011 S2015 A2016S2011-S2013 PolarHBondContact O-N 3.25Å; S2013-S2015 VanDerWaalsContact C-N 3.28Å; S2013-S2015 CarbonylContact O-C 3.4Å; S2013-S2015 WeakPolarHBondContact O-CA 3.46Å; S2013-S2015 PolarHBondContact O-N 3.33Å; S2013-S2015 VanDerWaalsContact O-N 3.1Å; S2013-A2016 PolarHBondContact O-N 3.26Å
2014Q35.5Very low31.8Very low197 Ų197123 Ų12392%0.92167%0.674SS**THydrogen-bonded Turn-53104.8128.7176-175.312.200105.4
2015S48Very low32.9Very low112 Ų112123.7 Ų123.778%0.78367%0.673SS**THydrogen-bonded Turncis-149.676.315.9480000112.9S2013S2013-S2015 VanDerWaalsContact C-N 3.28Å; S2013-S2015 CarbonylContact O-C 3.4Å; S2013-S2015 WeakPolarHBondContact O-CA 3.46Å; S2013-S2015 PolarHBondContact O-N 3.33Å; S2013-S2015 VanDerWaalsContact O-N 3.1Å
2016A40.7Very low33.7Very low65 Ų65120.1 Ų120.154%0.53765%0.654SS.*  trans-151118.2177.200000112.4S2013S2013-A2016 PolarHBondContact O-N 3.26Å
2017L28.5Very low34.7Very low117 Ų117121.5 Ų121.561%0.61366%0.664SS**  trans-173.2136157.5-88.4-177000106.7L2010L2010-L2017 HydrophobicContact CB-CD1 3.96Å; L2010-L2017 HydrophobicContact CB-CD2 3.9Å; L2010-L2017 HydrophobicContact CB-CG 4.25Å; L2010-L2017 HydrophobicContact CD1-CD2 4.01Å; L2010-L2017 HydrophobicContact CD2-CD2 4.05Å; L2010-L2017 HydrophobicContact CG-CD2 4.19Å
2018Q25Very low34.6Very low147 Ų147125.5 Ų125.569%0.68767%0.674SS**  cis-165.8120.8-19.4173.3175.8-2.700107.3
2019K31.3Very low34.7Very low143 Ų143121.2 Ų121.262%0.62267%0.668SS**  trans59.9119.2-177.3-75.2-174.8155.7-98.10114.2D2021 D2022K2019-D2021 PolarHBondContact NZ-O 2.68Å; K2019-D2022 PolarHBondContact NZ-O 2.63Å
2020D33.4Very low35Very low146 Ų146120.3 Ų120.378%0.78166%0.664SS**  cis46.6111.320.6-68.3-23.6000113.7
2021D29.3Very low35.1Very low118 Ų118121.9 Ų121.963%0.63168%0.675SS**  trans56.5112163.6-54.1-16.3000115.9K2019K2019-D2021 PolarHBondContact NZ-O 2.68Å
2022D28.1Very low35.5Very low53 Ų53123.5 Ų123.528%0.28368%0.675SS.*  82153.5122.3-61.3-12000118.6K2019 T2025 S2026K2019-D2022 PolarHBondContact NZ-O 2.63Å; D2022-T2025 VanDerWaalsContact CG-N 3.27Å; D2022-T2025 VanDerWaalsContact OD1-CA 3.3Å; D2022-T2025 WeakPolarHBondContact OD1-CA 2.89Å; D2022-T2025 WeakPolarHBondContact OD1-CB 3.04Å; D2022-T2025 PolarHBondContact OD1-N 3.47Å; D2022-T2025 PolarHBondContact OD1-OG1 3.31Å; D2022-T2025 WeakPolarHBondContact OD2-CA 3.31Å; D2022-S2026 WeakPolarHBondContact OD2-CB 3.31Å; D2022-S2026 PolarHBondContact OD2-N 2.94Å
2023E32.6Very low36Very low167 Ų167118.9 Ų118.978%0.7866%0.664SS**SBendcis-124.7144.123.9-68.3151.1-155.700114.3
2024S40.2Very low36.5Very low64 Ų64122.7 Ų122.745%0.44868%0.679SS.*SBendcis-124.6100.114.446.20000116.2L2028S2024-L2028 WeakPolarHBondContact CB-O 3.38Å; S2024-L2028 PolarHBondContact OG-O 3.09Å
2025T49Very low36.6Very low129 Ų129117.4 Ų117.479%0.79166%0.662SS**SBendtrans-95.73.6133.2-6.30000112.6D2022D2022-T2025 VanDerWaalsContact CG-N 3.27Å; D2022-T2025 VanDerWaalsContact OD1-CA 3.3Å; D2022-T2025 WeakPolarHBondContact OD1-CA 2.89Å; D2022-T2025 WeakPolarHBondContact OD1-CB 3.04Å; D2022-T2025 PolarHBondContact OD1-N 3.47Å; D2022-T2025 PolarHBondContact OD1-OG1 3.31Å; D2022-T2025 WeakPolarHBondContact OD2-CA 3.31Å
2026S43.3Very low35.7Very low65 Ų65117.8 Ų117.846%0.45565%0.653SS.*SBendtrans-107.280.8162.3169.20000109.7D2022D2022-S2026 WeakPolarHBondContact OD2-CB 3.31Å; D2022-S2026 PolarHBondContact OD2-N 2.94Å
2027S50.1Low35.3Very low110 Ų110122.3 Ų122.377%0.76966%0.662SS**  trans50.6101174.159.50000115.8
2028L32.9Very low35.9Very low208 Ų208122.7 Ų122.7100%1.08967%0.667SS**  cis-136.9027.5-143.5172.2000110.9S2024S2024-L2028 WeakPolarHBondContact CB-O 3.38Å; S2024-L2028 PolarHBondContact OG-O 3.09Å

Retrieved 2,028 of 2,028 residues in 584.8 ms (Link to these results)

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