A0A077Z443_TRITR Loading...

Shavenoid isoform B-like N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z443, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 700 aa.

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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
1M53.6Low60.9Low211 Ų21196.8 Ų96.8100%1.03960%0.595SS**  0-84.40-59.9-49.3-104.300111.5A3 A4M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.17Å; M1-A3 VanDerWaalsContact O-N 3.1Å; M1-A4 PolarHBondContact O-N 3.27Å
2A52.7Low61.3Low75 Ų7593.2 Ų93.262%0.6258%0.577SS**Hα-helixtrans-52.2-39.3-168.700000116.1A4 T5 T6A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.05Å; A2-T5 PolarHBondContact O-N 3.34Å; A2-T5 PolarHBondContact O-OG1 2.95Å; A2-T6 PolarHBondContact O-N 3.04Å
3A55Low61.4Low78 Ų78102.2 Ų102.265%0.64559%0.593SS**Hα-helixtrans-68.1-18.117900000115M1 T6 T7M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.17Å; M1-A3 VanDerWaalsContact O-N 3.1Å; A3-T6 PolarHBondContact O-OG1 3.45Å; A3-T7 PolarHBondContact O-OG1 2.92Å
4A57.5Low61.4Low57 Ų57101.8 Ų101.847%0.47159%0.593SS.*Hα-helixtrans-88-23.6176.700000112.5M1 A2 T7 L8M1-A4 PolarHBondContact O-N 3.27Å; A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.05Å; A4-T7 PolarHBondContact O-OG1 3.15Å; A4-L8 WeakPolarHBondContact O-CG 3.49Å
5T65.5Low61.1Low84 Ų84103.6 Ų103.652%0.51560%0.598SS.*Hα-helixtrans-79.1-30177.138.10000112.8A2 L9A2-T5 PolarHBondContact O-N 3.34Å; A2-T5 PolarHBondContact O-OG1 2.95Å; T5-L9 WeakPolarHBondContact O-CG 3.13Å; T5-L9 PolarHBondContact O-N 2.68Å
6T66Low60.9Low90 Ų90110.9 Ų110.955%0.55261%0.613SS**Hα-helixtrans-73.5-40.117847.20000112.7A2 A3 L9 A10A2-T6 PolarHBondContact O-N 3.04Å; A3-T6 PolarHBondContact O-OG1 3.45Å; T6-L9 PolarHBondContact O-N 3.03Å; T6-A10 PolarHBondContact O-N 3.23Å
7T63Low60.3Low80 Ų80107.9 Ų107.949%0.49161%0.614SS.*Hα-helixtrans-66.9-39.8178.149.90000112.6A3 A4 A10 L11A3-T7 PolarHBondContact O-OG1 2.92Å; A4-T7 PolarHBondContact O-OG1 3.15Å; T7-A10 PolarHBondContact O-N 2.77Å; T7-L11 WeakPolarHBondContact O-CG 3.36Å; T7-L11 PolarHBondContact O-N 2.99Å
8L65.7Low59.7Low121 Ų121108.9 Ų108.963%0.63462%0.616SS**Hα-helixtrans-64.5-38.3174.2-70.9173000112.6A4 S12A4-L8 WeakPolarHBondContact O-CG 3.49Å; L8-S12 WeakPolarHBondContact O-CB 3.11Å; L8-S12 PolarHBondContact O-N 3.03Å
9L65.7Low59.1Low110 Ų110114.8 Ų114.858%0.57663%0.627SS**Hα-helixtrans-68-40.5174.2-75.1170000112T5 T6 S12 W13T5-L9 WeakPolarHBondContact O-CG 3.13Å; T5-L9 PolarHBondContact O-N 2.68Å; T6-L9 PolarHBondContact O-N 3.03Å; L9-S12 WeakPolarHBondContact O-CB 3.32Å; L9-S12 PolarHBondContact O-N 3.14Å; L9-W13 VanDerWaalsContact O-CD1 3.26Å; L9-W13 PolarHBondContact O-N 2.95Å
10A62.4Low58.5Low57 Ų57114.7 Ų114.747%0.47163%0.632SS.*Hα-helixtrans-61.4-45.8174.800000112T6 T7 S12 W13 V14T6-A10 PolarHBondContact O-N 3.23Å; T7-A10 PolarHBondContact O-N 2.77Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 2.9Å; A10-W13 PolarHBondContact O-N 3.36Å; A10-V14 WeakPolarHBondContact O-CG2 3.41Å; A10-V14 PolarHBondContact O-N 3.02Å
11L62.9Low57.8Low102 Ų102115.9 Ų115.953%0.53464%0.643SS.*Hα-helixtrans-61.8-40.2175.1-73.3167.1000112T7 W13 V14 L15T7-L11 WeakPolarHBondContact O-CG 3.36Å; T7-L11 PolarHBondContact O-N 2.99Å; L11-W13 VanDerWaalsContact C-N 3.3Å; L11-W13 PolarHBondContact O-N 3.37Å; L11-V14 PolarHBondContact O-N 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 2.99Å
12S65.5Low57.2Low53 Ų53117 Ų11737%0.37164%0.636SS.*Hα-helixtrans-60-38.7174-173.20000112.6L8 L9 A10 W16L8-S12 WeakPolarHBondContact O-CB 3.11Å; L8-S12 PolarHBondContact O-N 3.03Å; L9-S12 WeakPolarHBondContact O-CB 3.32Å; L9-S12 PolarHBondContact O-N 3.14Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 2.9Å; S12-W16 PolarHBondContact O-N 3.41Å; S12-W16 VanDerWaalsContact O-N 3.17Å
13W63.1Low56.9Low210 Ų210116.8 Ų116.880%0.79563%0.633SS**Hα-helixtrans-72.7-40177.7-84.758.9000112.4L9 A10 L11 L15 W16 G17L9-W13 VanDerWaalsContact O-CD1 3.26Å; L9-W13 PolarHBondContact O-N 2.95Å; A10-W13 PolarHBondContact O-N 3.36Å; L11-W13 VanDerWaalsContact C-N 3.3Å; L11-W13 PolarHBondContact O-N 3.37Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 3.16Å; W13-W16 PolarHBondContact O-N 3.33Å; W13-G17 PolarHBondContact O-N 3.42Å
14V61.2Low56.7Low97 Ų97115.9 Ų115.959%0.58862%0.62SS**Hα-helixtrans-61.4-42.8174.3173.30000110.9A10 L11 W16 G17A10-V14 WeakPolarHBondContact O-CG2 3.41Å; A10-V14 PolarHBondContact O-N 3.02Å; L11-V14 PolarHBondContact O-N 3.24Å; V14-W16 VanDerWaalsContact C-N 3.3Å; V14-W16 PolarHBondContact O-N 3.42Å; V14-G17 PolarHBondContact O-N 3.4Å
15L57.1Low56.7Low129 Ų129117.1 Ų117.168%0.67562%0.617SS**Hα-helixtrans-68.9-22.7177.2-69.9169.3000113.9L11 W13L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 2.99Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 3.16Å
16W58.1Low56.4Low220 Ų220114.1 Ų114.183%0.83360%0.598SS**Hα-helixtrans-91.3-19.8173.8-84.931.9000113.7S12 W13 V14 I18S12-W16 PolarHBondContact O-N 3.41Å; S12-W16 VanDerWaalsContact O-N 3.17Å; W13-W16 PolarHBondContact O-N 3.33Å; V14-W16 VanDerWaalsContact C-N 3.3Å; V14-W16 PolarHBondContact O-N 3.42Å; W16-I18 VanDerWaalsContact C-N 3.34Å
17G49.8Very low56.4Low61 Ų61114.1 Ų114.163%0.62959%0.592SS**Hα-helixtrans-69.9-28.8177.400000113.6W13 V14 R19W13-G17 PolarHBondContact O-N 3.42Å; V14-G17 PolarHBondContact O-N 3.4Å; G17-R19 VanDerWaalsContact C-N 3.28Å; G17-R19 PolarHBondContact O-N 3.39Å
18I50.6Low57.1Low125 Ų125114.5 Ų114.564%0.64159%0.591SS**  trans-7976.2178.7-51.6171.1000109.8W16 P20W16-I18 VanDerWaalsContact C-N 3.34Å; I18-P20 WeakPolarHBondContact O-CD 3.3Å
19R47.8Very low58.1Low222 Ų222108.9 Ų108.984%0.83856%0.562SS**  trans-67.6118.3160.8-73.1-174.2175.5-172.4-0.5108.2G17 T21G17-R19 VanDerWaalsContact C-N 3.28Å; G17-R19 PolarHBondContact O-N 3.39Å; R19-T21 PolarHBondContact O-N 2.93Å
20P46.3Very low59.3Low111 Ų111104.9 Ų104.972%0.72154%0.541SS*.  trans-63.4125.1171.626.8-33000108.5I18 R22I18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-R22 PolarHBondContact O-N 3.11Å
21T44.2Very low60.8Low140 Ų140102.3 Ų102.386%0.85952%0.52SS*.  trans-61.3107.3167.434.80000107.6R19 A23R19-T21 PolarHBondContact O-N 2.93Å; T21-A23 PolarHBondContact O-N 3.32Å
22R42.2Very low62Low236 Ų236100.7 Ų100.789%0.89151%0.514SS*.  trans-57.5113.7176-85-173.6169.9-173.7-3.9108.4P20 V24P20-R22 PolarHBondContact O-N 3.11Å; R22-V24 PolarHBondContact O-N 3.13Å; R22-V24 VanDerWaalsContact O-N 3.08Å
23A44.8Very low63Low69 Ų69103 Ų10357%0.5752%0.517SS*.  trans-62.2112.4170.400000108.1T21 M25T21-A23 PolarHBondContact O-N 3.32Å; A23-M25 PolarHBondContact O-N 3.39Å; A23-M25 VanDerWaalsContact O-N 3.13Å
24V52.1Low63.8Low59 Ų5998.9 Ų98.936%0.35851%0.511SS..  trans-56115.4174.6166.50000108.7R22 D43 K80R22-V24 PolarHBondContact O-N 3.13Å; R22-V24 VanDerWaalsContact O-N 3.08Å; V24-D43 HydrophobicContact CG1-CB 4.33Å; V24-D43 WeakPolarHBondContact CG1-OD2 3.33Å; V24-K80 WeakPolarHBondContact O-CE 3.38Å; V24-K80 PolarHBondContact O-NZ 3.05Å
25M56Low65.1Low84 Ų8495.2 Ų95.241%0.41449%0.489SS..  trans-93.9119.6-177.2-68.7168.5-175.700109.5A23 H27A23-M25 PolarHBondContact O-N 3.39Å; A23-M25 VanDerWaalsContact O-N 3.13Å; M25-H27 VanDerWaalsContact CB-CE1 3.43Å; M25-H27 WeakPolarHBondContact CB-CE1 3.5Å; M25-H27 PolarHBondContact O-N 3.48Å; M25-H27 PolarHBondContact O-ND1 2.77Å
26V59.7Low66.7Low20 Ų2089.1 Ų89.112%0.12146%0.458CS..  trans-83.3108.11711800000107.4I29 F39 Y54 F75V26-I29 HydrophobicContact CG1-CD1 4.39Å; V26-I29 HydrophobicContact CG1-CG1 4.24Å; V26-F39 HydrophobicContact CG1-CB 4.15Å; V26-F39 HydrophobicContact CG1-CD2 3.71Å; V26-F39 HydrophobicContact CG1-CG 4.28Å; V26-Y54 HydrophobicContact CG2-CE1 4.48Å; V26-F75 HydrophobicContact CB-CE1 4.12Å; V26-F75 HydrophobicContact CB-CZ 4.49Å; V26-F75 HydrophobicContact CG1-CE1 3.84Å; V26-F75 HydrophobicContact CG1-CZ 4.21Å; V26-F75 HydrophobicContact CG2-CE1 4.31Å; V26-F75 HydrophobicContact CG2-CZ 4.22Å
27H65.5Low68.3Low90 Ų9078.6 Ų78.642%0.41742%0.418SS..  trans-93.7156.7-173.4-66.175.2000111.7M25 N40M25-H27 VanDerWaalsContact CB-CE1 3.43Å; M25-H27 WeakPolarHBondContact CB-CE1 3.5Å; M25-H27 PolarHBondContact O-N 3.48Å; M25-H27 PolarHBondContact O-ND1 2.77Å; H27-N40 VanDerWaalsContact O-O 3.13Å
28N78Confident70.3Confident89 Ų8977.7 Ų77.748%0.47640%0.398SS..  trans54.659.4172-173.538.2000113.2T30N28-T30 WeakPolarHBondContact OD1-CG2 3.42Å
29I87.7Confident72Confident3 Ų371.9 Ų71.92%0.01537%0.368CS..  trans-78.7130.7169.2-64.8152.7000108V26 D37 F39 F75 Q77 R214 D215V26-I29 HydrophobicContact CG1-CD1 4.39Å; V26-I29 HydrophobicContact CG1-CG1 4.24Å; I29-D37 HydrophobicContact CG2-CB 4.41Å; I29-F39 HydrophobicContact CB-CB 4.36Å; I29-F39 HydrophobicContact CG1-CB 3.72Å; I29-F75 HydrophobicContact CD1-CD1 3.73Å; I29-F75 HydrophobicContact CD1-CE1 4.04Å; I29-F75 HydrophobicContact CG1-CD1 4.05Å; I29-F75 HydrophobicContact CG1-CE1 4.48Å; I29-Q77 HydrophobicContact CD1-CG 3.47Å; I29-Q77 VanDerWaalsContact CD1-CG 3.47Å; I29-R214 CarbonylContact O-C 3.57Å; I29-D215 HydrophobicContact CB-CB 4.34Å; I29-D215 PolarHBondContact O-N 3.4Å
30T91.1Very high73.7Confident25 Ų2564 Ų6415%0.15334%0.342CS..EExtended strand (participates in β ladder)trans-127.2131.9-17468.70000110.4N28 D37 I38 R214N28-T30 WeakPolarHBondContact OD1-CG2 3.42Å; T30-D37 CarbonylContact O-C 3.6Å; T30-D37 WeakPolarHBondContact O-CA 3.44Å; T30-I38 PolarHBondContact N-O 3.21Å; T30-I38 PolarHBondContact O-N 2.91Å; T30-I38 PolarHBondContact OG1-O 3.29Å; T30-R214 HydrophobicContact CG2-CB 3.99Å; T30-R214 HydrophobicContact CG2-CG 3.64Å
31R92.3Very high74.9Confident4 Ų458.8 Ų58.82%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-117.9112.3-166.8-50.9-161.9-167.2-162.55.8109.1G188 K189 I190 G213R31-G188 PolarHBondContact NE-O 2.77Å; R31-G188 PolarHBondContact NH2-O 3.4Å; R31-K189 PolarHBondContact NH1-O 2.66Å; R31-K189 VanDerWaalsContact NH2-C 3.33Å; R31-I190 VanDerWaalsContact NH2-N 3.19Å; R31-G213 PolarHBondContact N-O 3.09Å; R31-G213 PolarHBondContact O-N 3.44Å; R31-G213 VanDerWaalsContact O-N 3.13Å
32V88.9Confident75.8Confident67 Ų6755.6 Ų55.641%0.40629%0.291SS..  trans-112141.9-170.3176.40000108.4S35 I38V32-S35 WeakPolarHBondContact CB-OG 3.39Å; V32-S35 PolarHBondContact O-N 3.39Å; V32-I38 HydrophobicContact CG2-CD1 4.48Å
33F85.6Confident76.5Confident103 Ų10349.2 Ų49.245%0.45227%0.274SS..THydrogen-bonded Turntrans-65.6139.1179.8-170.8-108.5000110.5S35 T108 I212F33-S35 PolarHBondContact O-N 2.93Å; F33-S35 VanDerWaalsContact O-N 3.09Å; F33-T108 WeakPolarHBondContact CD2-O 3.44Å; F33-T108 WeakPolarHBondContact CE2-O 3.35Å; F33-I212 HydrophobicContact CB-CD1 4.04Å; F33-I212 HydrophobicContact CD2-CD1 4.07Å; F33-I212 HydrophobicContact CG-CD1 4.41Å
34N81.4Confident77.3Confident123 Ų12348.5 Ų48.566%0.65826%0.26SS*.THydrogen-bonded Turntrans52.923-176.9-66.8-3.6000116.4
35S87.2Confident77.8Confident19 Ų1952.3 Ų52.313%0.13328%0.279CS..SBendtrans-130.1171.6166.382.90000112.9V32 F33 Q67 R210V32-S35 WeakPolarHBondContact CB-OG 3.39Å; V32-S35 PolarHBondContact O-N 3.39Å; F33-S35 PolarHBondContact O-N 2.93Å; F33-S35 VanDerWaalsContact O-N 3.09Å; S35-Q67 PolarHBondContact OG-NE2 3.32Å; S35-R210 PolarHBondContact O-NH1 3.47Å
36G90.4Very high78.5Confident1 Ų152.3 Ų52.31%0.0129%0.286CS..  trans-70.9155.7159.800000111.6Q67 C68 P73G36-Q67 PolarHBondContact O-NE2 3Å; G36-C68 WeakPolarHBondContact CA-O 3.48Å; G36-P73 CarbonylContact C-O 3.6Å; G36-P73 VanDerWaalsContact CA-O 3.24Å; G36-P73 WeakPolarHBondContact CA-O 3.42Å
37D93Very high79Confident0 Ų060 Ų600%031%0.313CS..  trans-62.9141.5179.5-59.9-19.8000110.7I29 T30 Q67 C68 P73 A74 F75 R210I29-D37 HydrophobicContact CG2-CB 4.41Å; T30-D37 CarbonylContact O-C 3.6Å; T30-D37 WeakPolarHBondContact O-CA 3.44Å; D37-Q67 WeakPolarHBondContact O-CA 3.46Å; D37-C68 PolarHBondContact O-N 2.87Å; D37-P73 PolarHBondContact N-O 3.49Å; D37-A74 WeakPolarHBondContact OD2-CA 3.42Å; D37-F75 HydrophobicContact CB-CB 4.17Å; D37-F75 PolarHBondContact OD2-N 2.9Å; D37-R210 WeakPolarHBondContact OD1-CD 2.89Å; D37-R210 IonicContact OD1-CZ 3.9Å; D37-R210 IonicContact OD1-NE 2.86Å; D37-R210 IonicContact OD1-NH1 3.76Å; D37-R210 PolarHBondContact OD1-NH1 3.23Å; D37-R210 WeakPolarHBondContact OD2-CD 3.28Å
38I90.7Very high78.9Confident42 Ų4261.6 Ų61.622%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-110.4123.6179.3-55.6169.8000108.8T30 V32 A59 C66 Q67T30-I38 PolarHBondContact N-O 3.21Å; T30-I38 PolarHBondContact O-N 2.91Å; T30-I38 PolarHBondContact OG1-O 3.29Å; V32-I38 HydrophobicContact CG2-CD1 4.48Å; I38-A59 HydrophobicContact CG2-CB 4.05Å; I38-C66 CarbonylContact C-O 3.59Å; I38-C66 VanDerWaalsContact CA-O 3.23Å; I38-C66 WeakPolarHBondContact CA-O 3.3Å; I38-Q67 HydrophobicContact CG1-CB 4.03Å; I38-Q67 HydrophobicContact CG1-CG 3.79Å
39F88.2Confident78.5Confident2 Ų264 Ų641%0.00934%0.341CS..EExtended strand (participates in β ladder)trans-133.7160.9-176.362.3-86.5000111.9V26 I29 Y54 A56 N65 C66 F75V26-F39 HydrophobicContact CG1-CB 4.15Å; V26-F39 HydrophobicContact CG1-CD2 3.71Å; V26-F39 HydrophobicContact CG1-CG 4.28Å; I29-F39 HydrophobicContact CB-CB 4.36Å; I29-F39 HydrophobicContact CG1-CB 3.72Å; F39-Y54 HydrophobicContact CE2-CD1 4.37Å; F39-Y54 HydrophobicContact CE2-CD2 4.32Å; F39-Y54 HydrophobicContact CE2-CG 4.03Å; F39-Y54 HydrophobicContact CZ-CG 4.1Å; F39-A56 HydrophobicContact CE1-CB 3.82Å; F39-A56 HydrophobicContact CZ-CB 3.68Å; F39-N65 WeakPolarHBondContact O-CA 3.48Å; F39-C66 HydrophobicContact CD1-CB 4.22Å; F39-C66 HydrophobicContact CD2-CB 4.09Å; F39-C66 HydrophobicContact CE1-CB 3.75Å; F39-C66 HydrophobicContact CE2-CB 3.62Å; F39-C66 HydrophobicContact CG-CB 4.38Å; F39-C66 HydrophobicContact CZ-CB 3.43Å; F39-C66 VanDerWaalsContact CZ-CB 3.43Å; F39-C66 PolarHBondContact N-O 2.93Å; F39-C66 PolarHBondContact O-N 2.88Å; F39-F75 HydrophobicContact CD1-CB 4.24Å; F39-F75 HydrophobicContact CD1-CD1 4.43Å; F39-F75 AromaticContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CE2 4.37Å; F39-F75 AromaticContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD2-CE2 4.39Å; F39-F75 HydrophobicContact CD2-CZ 4.33Å; F39-F75 HydrophobicContact CE1-CB 4.47Å; F39-F75 AromaticContact CE1-CD2 3.49Å; F39-F75 HydrophobicContact CE1-CD2 3.49Å; F39-F75 VanDerWaalsContact CE1-CD2 3.49Å; F39-F75 AromaticContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CG 4.01Å; F39-F75 HydrophobicContact CE2-CD2 4.33Å; F39-F75 AromaticContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CZ 4.12Å; F39-F75 HydrophobicContact CG-CD1 4.46Å; F39-F75 HydrophobicContact CG-CD2 4.46Å; F39-F75 HydrophobicContact CG-CG 4.38Å; F39-F75 AromaticContact CZ-CD2 3.74Å; F39-F75 HydrophobicContact CZ-CD2 3.74Å; F39-F75 AromaticContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CZ 4.29Å
40N82.4Confident78Confident56 Ų5664.2 Ų64.230%0.29934%0.342SS..EExtended strand (participates in β ladder)trans-123.9146.8175.8-171.110.2000109.9H27 C64H27-N40 VanDerWaalsContact O-O 3.13Å; N40-C64 WeakPolarHBondContact OD1-CB 3.34Å; N40-C64 PolarHBondContact OD1-O 3.39Å
41N71Confident77.8Confident2 Ų263.2 Ų63.21%0.01134%0.336CS..  trans-113.6116.9178.1-174.96.2000109.7D43 I44 H50 Y54N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 3.48Å; N41-D43 PolarHBondContact OD1-N 3.42Å; N41-I44 WeakPolarHBondContact ND2-CD1 3.28Å; N41-H50 WeakPolarHBondContact CB-NE2 3.36Å; N41-H50 PolarHBondContact ND2-NE2 3.31Å; N41-Y54 PolarHBondContact ND2-OH 3.39Å
42P63.7Low77.4Confident74 Ų7466.1 Ų66.148%0.48136%0.357SS..THydrogen-bonded Turntrans-71.5-24.5179.229.8-35.4000113.4
43D56.6Low77.2Confident101 Ų10167.7 Ų67.754%0.5437%0.366SS..THydrogen-bonded Turntrans-95.68.1-162.2-71.5-18.5000114.4V24 N41V24-D43 HydrophobicContact CG1-CB 4.33Å; V24-D43 WeakPolarHBondContact CG1-OD2 3.33Å; N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 3.48Å; N41-D43 PolarHBondContact OD1-N 3.42Å
44I61.2Low77.2Confident54 Ų5463.8 Ų63.828%0.27735%0.349SS..SBendtrans-132.3112178.2-62.6-177.3000110.5N41 C46 R47 H50 C64N41-I44 WeakPolarHBondContact ND2-CD1 3.28Å; I44-C46 PolarHBondContact O-N 3.17Å; I44-C46 VanDerWaalsContact O-N 3.09Å; I44-R47 HydrophobicContact CG2-CB 4.48Å; I44-H50 HydrophobicContact CG2-CB 4.5Å; I44-C64 PolarHBondContact O-SG 3.05Å; I44-C64 VanDerWaalsContact O-SG 3.37Å
45N63.2Low77.5Confident140 Ų14059.6 Ų59.675%0.74933%0.334SS*.  trans-47118.8164.7-61.84.1000108.6R47N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 WeakPolarHBondContact O-CG 3.49Å; N45-R47 PolarHBondContact O-N 3.28Å
46C71.4Confident77.6Confident83 Ų8358.9 Ų58.956%0.56133%0.33SS*.  trans-52.382.8-161.1-42.60000114.6I44 C64I44-C46 PolarHBondContact O-N 3.17Å; I44-C46 VanDerWaalsContact O-N 3.09Å; C46-C64 WeakPolarHBondContact CA-SG 3.31Å; C46-C64 HydrophobicContact CB-CB 4.16Å; C46-C64 WeakPolarHBondContact CB-SG 3.44Å; C46-C64 VanDerWaalsContact SG-CA 3.58Å; C46-C64 WeakPolarHBondContact SG-CB 3.36Å; C46-C64 PolarHBondContact SG-N 2.95Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 2.79Å
47R68.8Low77.5Confident182 Ų18263.9 Ų63.969%0.68736%0.356SS*.  trans-87.7153.4-174.9-87.5169.6-179.9-164.90.2110.4I44 N45 M49 H50I44-R47 HydrophobicContact CG2-CB 4.48Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 WeakPolarHBondContact O-CG 3.49Å; N45-R47 PolarHBondContact O-N 3.28Å; R47-M49 PolarHBondContact O-N 2.92Å; R47-M49 VanDerWaalsContact O-N 3.11Å; R47-H50 WeakPolarHBondContact O-CB 3.44Å; R47-H50 PolarHBondContact O-N 3.47Å
48P63.9Low77.1Confident124 Ų12467.7 Ų67.781%0.80538%0.383SS*.THydrogen-bonded Turntrans-60.5-26.8-174.721.6-33.3000114.4
49M70.5Confident76.5Confident138 Ų13866.2 Ų66.268%0.6838%0.377SS*.THydrogen-bonded Turntrans-97.822.7174.8-67.3-65.5-178.800113.4R47 S52R47-M49 PolarHBondContact O-N 2.92Å; R47-M49 VanDerWaalsContact O-N 3.11Å; M49-S52 PolarHBondContact O-OG 3.28Å; M49-S52 PolarHBondContact SD-OG 2.97Å
50H77.1Confident75.5Confident8 Ų876.5 Ų76.54%0.03742%0.415CS..THydrogen-bonded Turntrans-62.3-53.1-177.4168.9-125.8000112.5N41 I44 R47 Y54 C64 C66N41-H50 WeakPolarHBondContact CB-NE2 3.36Å; N41-H50 PolarHBondContact ND2-NE2 3.31Å; I44-H50 HydrophobicContact CG2-CB 4.5Å; R47-H50 WeakPolarHBondContact O-CB 3.44Å; R47-H50 PolarHBondContact O-N 3.47Å; H50-Y54 AromaticContact NE2-CE2 3.98Å; H50-Y54 VanDerWaalsContact O-CD2 3.29Å; H50-Y54 WeakPolarHBondContact O-CD2 3.45Å; H50-Y54 WeakPolarHBondContact O-CE2 3.34Å; H50-C64 PolarHBondContact CE1-O 2.87Å; H50-C64 PolarHBondContact ND1-O 3.47Å; H50-C66 PolarHBondContact CE1-SG 2.97Å; H50-C66 PolarHBondContact ND1-SG 3.19Å; H50-C66 VanDerWaalsContact ND1-SG 3.44Å
51C85.5Confident74.4Confident4 Ų482.1 Ų82.13%0.02745%0.446CS..THydrogen-bonded Turntrans-80.3-27.9-173-60.10000114V53 Y54 G55 A56 C66C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 3.17Å; C51-Y54 WeakPolarHBondContact O-CB 3.45Å; C51-Y54 PolarHBondContact O-N 2.97Å; C51-G55 PolarHBondContact O-N 3.38Å; C51-A56 CarbonylContact C-O 3.34Å; C51-A56 HydrophobicContact CB-CB 4.11Å; C51-A56 WeakPolarHBondContact CB-O 3.38Å; C51-A56 PolarHBondContact O-N 3.34Å; C51-A56 VanDerWaalsContact O-O 3.14Å; C51-C66 WeakPolarHBondContact CA-SG 3.3Å; C51-C66 HydrophobicContact CB-CB 3.73Å; C51-C66 WeakPolarHBondContact CB-SG 3.5Å; C51-C66 WeakPolarHBondContact SG-CA 3.42Å; C51-C66 WeakPolarHBondContact SG-CB 3.23Å; C51-C66 CovalentContact SG-SG 2.04Å; C51-C66 PolarHBondContact SG-SG 3.15Å
52S85.3Confident73.8Confident65 Ų6587.6 Ų87.646%0.45548%0.484SS..G310 helixtrans-64.7-31-175.450.50000113.2M49 Y54 G55 A56M49-S52 PolarHBondContact O-OG 3.28Å; M49-S52 PolarHBondContact SD-OG 2.97Å; S52-Y54 PolarHBondContact O-N 2.79Å; S52-G55 PolarHBondContact O-N 3.31Å; S52-A56 PolarHBondContact N-O 3.35Å
53V84Confident74Confident100 Ų10086.1 Ų86.161%0.60648%0.483SS*.G310 helixtrans-56.6-33.7172.3176.70000112.2C51C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 3.17Å
54Y86.5Confident75.1Confident22 Ų2282.2 Ų82.29%0.08646%0.463CS..G310 helixtrans-90.2-2-179.9-59.2-83.5000113.1V26 F39 N41 H50 C51 S52 A56 F75 K80 K81 C82V26-Y54 HydrophobicContact CG2-CE1 4.48Å; F39-Y54 HydrophobicContact CE2-CD1 4.37Å; F39-Y54 HydrophobicContact CE2-CD2 4.32Å; F39-Y54 HydrophobicContact CE2-CG 4.03Å; F39-Y54 HydrophobicContact CZ-CG 4.1Å; N41-Y54 PolarHBondContact ND2-OH 3.39Å; H50-Y54 AromaticContact NE2-CE2 3.98Å; H50-Y54 VanDerWaalsContact O-CD2 3.29Å; H50-Y54 WeakPolarHBondContact O-CD2 3.45Å; H50-Y54 WeakPolarHBondContact O-CE2 3.34Å; C51-Y54 WeakPolarHBondContact O-CB 3.45Å; C51-Y54 PolarHBondContact O-N 2.97Å; S52-Y54 PolarHBondContact O-N 2.79Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; Y54-F75 AromaticContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CZ 4.05Å; Y54-F75 HydrophobicContact CG-CE2 4.42Å; Y54-K80 HydrophobicContact CD1-CB 4.27Å; Y54-K80 VanDerWaalsContact CD1-O 3.25Å; Y54-K80 WeakPolarHBondContact CD1-O 3.45Å; Y54-K80 HydrophobicContact CE1-CB 4.2Å; Y54-K81 WeakPolarHBondContact O-CA 3.37Å; Y54-C82 PolarHBondContact O-N 2.93Å
55G86.8Confident76.3Confident34 Ų3482.8 Ų82.835%0.35147%0.467SS..THydrogen-bonded Turntrans70.725.8-169.900000113.6C51 S52 P69C51-G55 PolarHBondContact O-N 3.38Å; S52-G55 PolarHBondContact O-N 3.31Å; G55-P69 WeakPolarHBondContact O-CD 3.27Å
56A88.7Confident77.5Confident5 Ų576.1 Ų76.14%0.04143%0.431CS..  trans-115.2158.7-176.900000112.2F39 C51 S52 Y54 C66F39-A56 HydrophobicContact CE1-CB 3.82Å; F39-A56 HydrophobicContact CZ-CB 3.68Å; C51-A56 CarbonylContact C-O 3.34Å; C51-A56 HydrophobicContact CB-CB 4.11Å; C51-A56 WeakPolarHBondContact CB-O 3.38Å; C51-A56 PolarHBondContact O-N 3.34Å; C51-A56 VanDerWaalsContact O-O 3.14Å; S52-A56 PolarHBondContact N-O 3.35Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; A56-C66 HydrophobicContact CB-CB 3.86Å
57N88.3Confident78.5Confident106 Ų10675.2 Ų75.257%0.56742%0.418SS*.EExtended strand (participates in β ladder)trans-97.5157.8173.2-64.9-12.1000110.3A59 C66 Q67N57-A59 PolarHBondContact O-N 2.8Å; N57-C66 CarbonylContact O-C 3.59Å; N57-C66 VanDerWaalsContact O-CA 3.31Å; N57-C66 WeakPolarHBondContact O-CA 3.47Å; N57-Q67 PolarHBondContact N-O 2.81Å; N57-Q67 PolarHBondContact O-N 2.9Å
58S85.8Confident79.6Confident79 Ų7966.7 Ų66.755%0.55239%0.387SS*.EExtended strand (participates in β ladder)trans-70.4127.4175.5-55.80000111.5R60S58-R60 PolarHBondContact O-N 3.14Å
59A77.7Confident81Confident11 Ų1162.8 Ų62.89%0.09136%0.361CS..SBendtrans-91.992.5-172.100000112I38 N57 N65 Q67I38-A59 HydrophobicContact CG2-CB 4.05Å; N57-A59 PolarHBondContact O-N 2.8Å; A59-N65 HydrophobicContact CB-CB 3.86Å; A59-N65 PolarHBondContact N-O 2.98Å; A59-Q67 HydrophobicContact CB-CB 3.82Å
60R67.7Low81.9Confident218 Ų21862.3 Ų62.382%0.82336%0.361SS*.SBendtrans68.4149.3-171-51.3-179.9177.8-170.6-2.2112.7S58 S62S58-R60 PolarHBondContact O-N 3.14Å; R60-S62 PolarHBondContact O-N 2.88Å
61N59Low82.5Confident175 Ų17564.9 Ų64.994%0.93639%0.389SS*.THydrogen-bonded Turntrans-75.729.4-163.6-64-5.3000115.5
62S58.2Low82.8Confident116 Ų11671.4 Ų71.481%0.81141%0.414SS*.THydrogen-bonded Turntrans-152.729.3-166.367.20000116.5R60R60-S62 PolarHBondContact O-N 2.88Å
63G67.7Low83.1Confident44 Ų4468.6 Ų68.645%0.45439%0.394SS..SBendtrans-175.7178.1173.700000116.6N65G63-N65 PolarHBondContact O-N 3.21Å; G63-N65 VanDerWaalsContact O-N 3.15Å
64C80.1Confident83.6Confident19 Ų1963.9 Ų63.913%0.12837%0.365CS..SBendtrans-71.69.3174.2-890000114.2N40 I44 C46 H50N40-C64 WeakPolarHBondContact OD1-CB 3.34Å; N40-C64 PolarHBondContact OD1-O 3.39Å; I44-C64 PolarHBondContact O-SG 3.05Å; I44-C64 VanDerWaalsContact O-SG 3.37Å; C46-C64 WeakPolarHBondContact CA-SG 3.31Å; C46-C64 HydrophobicContact CB-CB 4.16Å; C46-C64 WeakPolarHBondContact CB-SG 3.44Å; C46-C64 VanDerWaalsContact SG-CA 3.58Å; C46-C64 WeakPolarHBondContact SG-CB 3.36Å; C46-C64 PolarHBondContact SG-N 2.95Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 2.79Å; H50-C64 PolarHBondContact CE1-O 2.87Å; H50-C64 PolarHBondContact ND1-O 3.47Å
65N85.9Confident83.9Confident66 Ų6662.9 Ų62.935%0.35336%0.361SS..EExtended strand (participates in β ladder)trans-79.1139.2-177.1-62.9-18.3000110.9F39 A59 G63F39-N65 WeakPolarHBondContact O-CA 3.48Å; A59-N65 HydrophobicContact CB-CB 3.86Å; A59-N65 PolarHBondContact N-O 2.98Å; G63-N65 PolarHBondContact O-N 3.21Å; G63-N65 VanDerWaalsContact O-N 3.15Å
66C88.9Confident84.1Confident0 Ų061.8 Ų61.80%035%0.347CS..EExtended strand (participates in β ladder)trans-118148.8174.9-59.20000110.5I38 F39 H50 C51 A56 N57I38-C66 CarbonylContact C-O 3.59Å; I38-C66 VanDerWaalsContact CA-O 3.23Å; I38-C66 WeakPolarHBondContact CA-O 3.3Å; F39-C66 HydrophobicContact CD1-CB 4.22Å; F39-C66 HydrophobicContact CD2-CB 4.09Å; F39-C66 HydrophobicContact CE1-CB 3.75Å; F39-C66 HydrophobicContact CE2-CB 3.62Å; F39-C66 HydrophobicContact CG-CB 4.38Å; F39-C66 HydrophobicContact CZ-CB 3.43Å; F39-C66 VanDerWaalsContact CZ-CB 3.43Å; F39-C66 PolarHBondContact N-O 2.93Å; F39-C66 PolarHBondContact O-N 2.88Å; H50-C66 PolarHBondContact CE1-SG 2.97Å; H50-C66 PolarHBondContact ND1-SG 3.19Å; H50-C66 VanDerWaalsContact ND1-SG 3.44Å; C51-C66 WeakPolarHBondContact CA-SG 3.3Å; C51-C66 HydrophobicContact CB-CB 3.73Å; C51-C66 WeakPolarHBondContact CB-SG 3.5Å; C51-C66 WeakPolarHBondContact SG-CA 3.42Å; C51-C66 WeakPolarHBondContact SG-CB 3.23Å; C51-C66 CovalentContact SG-SG 2.04Å; C51-C66 PolarHBondContact SG-SG 3.15Å; A56-C66 HydrophobicContact CB-CB 3.86Å; N57-C66 CarbonylContact O-C 3.59Å; N57-C66 VanDerWaalsContact O-CA 3.31Å; N57-C66 WeakPolarHBondContact O-CA 3.47Å
67Q91.6Very high84Confident63 Ų6362.2 Ų62.229%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-128.9130.3175.5-177.9164.531.100110.1S35 G36 D37 I38 N57 A59S35-Q67 PolarHBondContact OG-NE2 3.32Å; G36-Q67 PolarHBondContact O-NE2 3Å; D37-Q67 WeakPolarHBondContact O-CA 3.46Å; I38-Q67 HydrophobicContact CG1-CB 4.03Å; I38-Q67 HydrophobicContact CG1-CG 3.79Å; N57-Q67 PolarHBondContact N-O 2.81Å; N57-Q67 PolarHBondContact O-N 2.9Å; A59-Q67 HydrophobicContact CB-CB 3.82Å
68C93.3Very high83.9Confident3 Ų360.4 Ų60.42%0.0234%0.336CS..  trans-66.4143.6173.6-70.20000111.6G36 D37 R72 C82G36-C68 WeakPolarHBondContact CA-O 3.48Å; D37-C68 PolarHBondContact O-N 2.87Å; C68-R72 WeakPolarHBondContact CB-O 3.36Å; C68-C82 WeakPolarHBondContact CA-SG 3.35Å; C68-C82 HydrophobicContact CB-CB 3.74Å; C68-C82 WeakPolarHBondContact CB-SG 3.32Å; C68-C82 WeakPolarHBondContact SG-CB 3.5Å; C68-C82 CovalentContact SG-SG 2.04Å; C68-C82 PolarHBondContact SG-SG 3.2Å
69P92.7Very high84Confident42 Ų4260 Ų6027%0.27333%0.33SS..  trans-71153176.530.8-35.3000111.2G55 G71 R72 P73G55-P69 WeakPolarHBondContact O-CD 3.27Å; P69-G71 PolarHBondContact O-N 3.38Å; P69-G71 VanDerWaalsContact O-N 3.13Å; P69-R72 HydrophobicContact CG-CB 4.29Å; P69-R72 CarbonylContact O-C 3.5Å; P69-R72 PolarHBondContact O-N 3.39Å; P69-P73 WeakPolarHBondContact O-CA 3.44Å
70L88.9Confident84.4Confident128 Ų12862.4 Ų62.467%0.6734%0.339SS*.THydrogen-bonded Turntrans-56.6-33-177.4-66.4176.9000113.8R72 P73L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 2.87Å; L70-P73 WeakPolarHBondContact O-CD 3.45Å
71G89.1Confident85.5Confident62 Ų6257.7 Ų57.764%0.63932%0.324SS*.THydrogen-bonded Turntrans-75.3-8.6176.500000115.4P69 D84P69-G71 PolarHBondContact O-N 3.38Å; P69-G71 VanDerWaalsContact O-N 3.13Å; G71-D84 WeakPolarHBondContact O-CB 3.41Å
72R92.5Very high87.1Confident142 Ų14249.8 Ų49.854%0.53628%0.283SS..SBendtrans-146.264.7172.5-67.4-171.8-166.8140.46.6109.7C68 P69 L70 A74 C82 A83 D84C68-R72 WeakPolarHBondContact CB-O 3.36Å; P69-R72 HydrophobicContact CG-CB 4.29Å; P69-R72 CarbonylContact O-C 3.5Å; P69-R72 PolarHBondContact O-N 3.39Å; L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 2.87Å; R72-A74 PolarHBondContact O-N 3.35Å; R72-C82 HydrophobicContact CB-CB 4.37Å; R72-C82 WeakPolarHBondContact O-CB 3.38Å; R72-A83 CarbonylContact C-O 3.3Å; R72-A83 WeakPolarHBondContact CA-O 3.35Å; R72-D84 HydrophobicContact CG-CB 4.36Å
73P92.7Very high88.8Confident6 Ų645 Ų454%0.03925%0.25CC..  trans-81.7-11.9-157.332.5-34.7000114.3G36 D37 P69 L70 M104 R210G36-P73 CarbonylContact C-O 3.6Å; G36-P73 VanDerWaalsContact CA-O 3.24Å; G36-P73 WeakPolarHBondContact CA-O 3.42Å; D37-P73 PolarHBondContact N-O 3.49Å; P69-P73 WeakPolarHBondContact O-CA 3.44Å; L70-P73 WeakPolarHBondContact O-CD 3.45Å; P73-M104 HydrophobicContact CG-CE 3.59Å; P73-R210 PolarHBondContact O-NH1 3.33Å
74A93.2Very high89.9Confident0 Ų045.5 Ų45.50%024%0.242CC..EExtended strand (participates in β ladder)trans-94.8129.3-177.300000112D37 R72 L76 C82 A83 L106 I190 R210D37-A74 WeakPolarHBondContact OD2-CA 3.42Å; R72-A74 PolarHBondContact O-N 3.35Å; A74-L76 PolarHBondContact O-N 3.05Å; A74-C82 CarbonylContact O-C 3.5Å; A74-C82 WeakPolarHBondContact O-CA 3.46Å; A74-A83 PolarHBondContact N-O 2.96Å; A74-A83 VanDerWaalsContact N-O 3.12Å; A74-A83 PolarHBondContact O-N 2.93Å; A74-L106 HydrophobicContact CB-CD2 3.48Å; A74-L106 VanDerWaalsContact CB-CD2 3.48Å; A74-I190 HydrophobicContact CB-CD1 4.49Å; A74-R210 HydrophobicContact CB-CG 4.3Å
75F92.5Very high90.4Very high1 Ų146.4 Ų46.40%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-88.3106.6172.1-173.5-105.3000111.1V26 I29 D37 F39 Y54 Q77 K80V26-F75 HydrophobicContact CB-CE1 4.12Å; V26-F75 HydrophobicContact CB-CZ 4.49Å; V26-F75 HydrophobicContact CG1-CE1 3.84Å; V26-F75 HydrophobicContact CG1-CZ 4.21Å; V26-F75 HydrophobicContact CG2-CE1 4.31Å; V26-F75 HydrophobicContact CG2-CZ 4.22Å; I29-F75 HydrophobicContact CD1-CD1 3.73Å; I29-F75 HydrophobicContact CD1-CE1 4.04Å; I29-F75 HydrophobicContact CG1-CD1 4.05Å; I29-F75 HydrophobicContact CG1-CE1 4.48Å; D37-F75 HydrophobicContact CB-CB 4.17Å; D37-F75 PolarHBondContact OD2-N 2.9Å; F39-F75 HydrophobicContact CD1-CB 4.24Å; F39-F75 HydrophobicContact CD1-CD1 4.43Å; F39-F75 AromaticContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CE2 4.37Å; F39-F75 AromaticContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD2-CE2 4.39Å; F39-F75 HydrophobicContact CD2-CZ 4.33Å; F39-F75 HydrophobicContact CE1-CB 4.47Å; F39-F75 AromaticContact CE1-CD2 3.49Å; F39-F75 HydrophobicContact CE1-CD2 3.49Å; F39-F75 VanDerWaalsContact CE1-CD2 3.49Å; F39-F75 AromaticContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CG 4.01Å; F39-F75 HydrophobicContact CE2-CD2 4.33Å; F39-F75 AromaticContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CZ 4.12Å; F39-F75 HydrophobicContact CG-CD1 4.46Å; F39-F75 HydrophobicContact CG-CD2 4.46Å; F39-F75 HydrophobicContact CG-CG 4.38Å; F39-F75 AromaticContact CZ-CD2 3.74Å; F39-F75 HydrophobicContact CZ-CD2 3.74Å; F39-F75 AromaticContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CZ 4.29Å; Y54-F75 AromaticContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CZ 4.05Å; Y54-F75 HydrophobicContact CG-CE2 4.42Å; F75-Q77 PolarHBondContact O-N 3.13Å; F75-K80 HydrophobicContact CZ-CB 4.31Å
76L91.6Very high90.6Very high12 Ų1243.9 Ų43.96%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-79.2108.4178.8-58.3-174.2000110A74 H78 V79 K80 K81 A83 I86 L149 I190A74-L76 PolarHBondContact O-N 3.05Å; L76-H78 PolarHBondContact O-N 2.79Å; L76-V79 HydrophobicContact CB-CB 4.15Å; L76-V79 HydrophobicContact CB-CG2 3.9Å; L76-V79 HydrophobicContact CD1-CG2 3.94Å; L76-V79 PolarHBondContact O-N 2.77Å; L76-K80 VanDerWaalsContact O-CA 3.31Å; L76-K80 WeakPolarHBondContact O-CA 3.38Å; L76-K80 PolarHBondContact O-N 2.7Å; L76-K81 PolarHBondContact N-O 3.04Å; L76-K81 PolarHBondContact O-N 3.34Å; L76-A83 HydrophobicContact CD1-CB 3.59Å; L76-A83 HydrophobicContact CG-CB 3.83Å; L76-I86 HydrophobicContact CD1-CG1 4.27Å; L76-I86 HydrophobicContact CD2-CD1 4.15Å; L76-I86 HydrophobicContact CD2-CG1 3.95Å; L76-L149 HydrophobicContact CB-CD2 4.42Å; L76-L149 HydrophobicContact CD2-CD2 3.98Å; L76-I190 HydrophobicContact CD2-CD1 3.52Å
77Q87.7Confident90.3Very high13 Ų1349.2 Ų49.26%0.06127%0.272CS..THydrogen-bonded Turntrans-61.4-40.2-173.1-68.2178.110.900114.1I29 F75 K80 H151 D215I29-Q77 HydrophobicContact CD1-CG 3.47Å; I29-Q77 VanDerWaalsContact CD1-CG 3.47Å; F75-Q77 PolarHBondContact O-N 3.13Å; Q77-K80 WeakPolarHBondContact O-CG 3.28Å; Q77-H151 VanDerWaalsContact OE1-N 3.09Å; Q77-D215 PolarHBondContact NE2-OD2 3.01Å
78H85.4Confident89.8Confident68 Ų6850.1 Ų50.132%0.31528%0.279SS..THydrogen-bonded Turntrans-71.2-41.6-179.967.9-88.5000112.3L76 L149L76-H78 PolarHBondContact O-N 2.79Å; H78-L149 WeakPolarHBondContact ND1-CD1 3.04Å; H78-L149 WeakPolarHBondContact ND1-CD2 3.38Å
79V87.4Confident89.4Confident70 Ų7051 Ų5142%0.42429%0.285SS..THydrogen-bonded Turntrans-74.9-27.5175.5-163.50000112.1L76 K81L76-V79 HydrophobicContact CB-CB 4.15Å; L76-V79 HydrophobicContact CB-CG2 3.9Å; L76-V79 HydrophobicContact CD1-CG2 3.94Å; L76-V79 PolarHBondContact O-N 2.77Å; V79-K81 HydrophobicContact CG1-CB 4.13Å; V79-K81 HydrophobicContact CG1-CD 4.18Å; V79-K81 HydrophobicContact CG1-CG 4.16Å
80K87Confident89.2Confident63 Ų6354.9 Ų54.927%0.27430%0.295SS..THydrogen-bonded Turntrans57.348.1-169.1-55175.3-175.61790111.8V24 Y54 F75 L76 Q77V24-K80 WeakPolarHBondContact O-CE 3.38Å; V24-K80 PolarHBondContact O-NZ 3.05Å; Y54-K80 HydrophobicContact CD1-CB 4.27Å; Y54-K80 VanDerWaalsContact CD1-O 3.25Å; Y54-K80 WeakPolarHBondContact CD1-O 3.45Å; Y54-K80 HydrophobicContact CE1-CB 4.2Å; F75-K80 HydrophobicContact CZ-CB 4.31Å; L76-K80 VanDerWaalsContact O-CA 3.31Å; L76-K80 WeakPolarHBondContact O-CA 3.38Å; L76-K80 PolarHBondContact O-N 2.7Å; Q77-K80 WeakPolarHBondContact O-CG 3.28Å
81K90.5Very high89.2Confident119 Ų11949.8 Ų49.852%0.51727%0.267SS..EExtended strand (participates in β ladder)trans-145.2151.9177.5-67.6-173.8-179.2176.70112.2Y54 L76 V79Y54-K81 WeakPolarHBondContact O-CA 3.37Å; L76-K81 PolarHBondContact N-O 3.04Å; L76-K81 PolarHBondContact O-N 3.34Å; V79-K81 HydrophobicContact CG1-CB 4.13Å; V79-K81 HydrophobicContact CG1-CD 4.18Å; V79-K81 HydrophobicContact CG1-CG 4.16Å
82C93.1Very high89.2Confident9 Ų946.8 Ų46.86%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-73.8129.8168.3-64.30000111.4Y54 C68 R72 A74Y54-C82 PolarHBondContact O-N 2.93Å; C68-C82 WeakPolarHBondContact CA-SG 3.35Å; C68-C82 HydrophobicContact CB-CB 3.74Å; C68-C82 WeakPolarHBondContact CB-SG 3.32Å; C68-C82 WeakPolarHBondContact SG-CB 3.5Å; C68-C82 CovalentContact SG-SG 2.04Å; C68-C82 PolarHBondContact SG-SG 3.2Å; R72-C82 HydrophobicContact CB-CB 4.37Å; R72-C82 WeakPolarHBondContact O-CB 3.38Å; A74-C82 CarbonylContact O-C 3.5Å; A74-C82 WeakPolarHBondContact O-CA 3.46Å
83A93.3Very high89.2Confident14 Ų1443.9 Ų43.912%0.11623%0.227CC..EExtended strand (participates in β ladder)trans-135.1156.6-177.700000113.3R72 A74 L76R72-A83 CarbonylContact C-O 3.3Å; R72-A83 WeakPolarHBondContact CA-O 3.35Å; A74-A83 PolarHBondContact N-O 2.96Å; A74-A83 VanDerWaalsContact N-O 3.12Å; A74-A83 PolarHBondContact O-N 2.93Å; L76-A83 HydrophobicContact CD1-CB 3.59Å; L76-A83 HydrophobicContact CG-CB 3.83Å
84D91.6Very high89Confident56 Ų5644.1 Ų44.130%0.29923%0.227SC..SBendtrans-92.8-14.1167.678-52.9000112.1G71 R72 K105G71-D84 WeakPolarHBondContact O-CB 3.41Å; R72-D84 HydrophobicContact CG-CB 4.36Å; D84-K105 WeakPolarHBondContact O-CB 3.38Å; D84-K105 IonicContact OD2-NZ 3.85Å; D84-K105 PolarHBondContact OD2-NZ 3.11Å
85S90.5Very high88.6Confident38 Ų3844.2 Ų44.227%0.26623%0.228SC..  trans-158.3158.2-164.9540000113.6M91S85-M91 VanDerWaalsContact CB-CE 3.43Å
86I88.5Confident87.9Confident12 Ų1247.3 Ų47.36%0.06225%0.247CC..  trans-113141172.7-75.9142.6000107.6L76 D88 M91 L106 W154 I190 V208L76-I86 HydrophobicContact CD1-CG1 4.27Å; L76-I86 HydrophobicContact CD2-CD1 4.15Å; L76-I86 HydrophobicContact CD2-CG1 3.95Å; I86-D88 HydrophobicContact CG2-CB 3.89Å; I86-M91 HydrophobicContact CB-SD 3.98Å; I86-M91 PolarHBondContact N-SD 3.38Å; I86-L106 HydrophobicContact CD1-CD1 4.5Å; I86-L106 HydrophobicContact CD1-CD2 3.99Å; I86-W154 HydrophobicContact CD1-CH2 3.96Å; I86-W154 HydrophobicContact CD1-CZ2 3.76Å; I86-W154 HydrophobicContact CG1-CZ2 4.27Å; I86-W154 HydrophobicContact CG2-CZ2 4.1Å; I86-I190 HydrophobicContact CD1-CD1 4.44Å; I86-I190 HydrophobicContact CD1-CG2 4.42Å; I86-V208 HydrophobicContact CD1-CG1 3.74Å
87S83.2Confident86.7Confident112 Ų11252.7 Ų52.778%0.78327%0.267SS*.SBendtrans-84.2-14.9-175.640.30000114.6C89S87-C89 VanDerWaalsContact C-N 3.34Å; S87-C89 PolarHBondContact O-N 3.16Å
88D80.3Confident85.6Confident83 Ų8354.7 Ų54.744%0.44429%0.291SS..SBendtrans-80.5-19.5-155.5-50.3-17.3000112.4I86 W154I86-D88 HydrophobicContact CG2-CB 3.89Å; D88-W154 PolarHBondContact OD2-NE1 2.81Å
89C85.7Confident84.9Confident22 Ų2256.5 Ų56.515%0.14930%0.3CS..SBendtrans-156.2173.7172.159.10000112S87 M91 E192 D204 C206S87-C89 VanDerWaalsContact C-N 3.34Å; S87-C89 PolarHBondContact O-N 3.16Å; C89-M91 PolarHBondContact O-N 2.98Å; C89-M91 VanDerWaalsContact O-N 3.15Å; C89-E192 PolarHBondContact SG-OE1 2.83Å; C89-D204 HydrophobicContact CB-CB 4.18Å; C89-D204 WeakPolarHBondContact CB-O 3.34Å; C89-C206 HydrophobicContact CB-CB 4.29Å; C89-C206 WeakPolarHBondContact CB-SG 3.48Å; C89-C206 WeakPolarHBondContact SG-CB 3.42Å; C89-C206 CovalentContact SG-SG 2.03Å; C89-C206 PolarHBondContact SG-SG 2.74Å
90R88.2Confident84.2Confident123 Ų12358 Ų5846%0.46431%0.309SS..EExtended strand (participates in β ladder)trans-76.4100.6177.9-176.9-179.9178.7161.3-0.5109.5A129 S202 D204 L205 C206R90-A129 VanDerWaalsContact CZ-O 3.27Å; R90-A129 PolarHBondContact NE-O 3.47Å; R90-A129 PolarHBondContact NH2-O 2.96Å; R90-S202 PolarHBondContact NH1-OG 3.4Å; R90-S202 VanDerWaalsContact NH1-OG 3.08Å; R90-D204 VanDerWaalsContact CB-O 3.32Å; R90-D204 WeakPolarHBondContact CB-O 3.3Å; R90-D204 PolarHBondContact N-O 2.92Å; R90-L205 CarbonylContact O-C 3.57Å; R90-L205 WeakPolarHBondContact O-CA 3.41Å; R90-L205 WeakPolarHBondContact O-CD1 3.26Å; R90-C206 PolarHBondContact O-N 3.1Å
91M89.3Confident83.4Confident20 Ų2060.8 Ų60.810%0.09933%0.332CS..EExtended strand (participates in β ladder)trans-72140-179.3-59.6-173-47.900113.4S85 I86 C89 K105 L106 C206 V208S85-M91 VanDerWaalsContact CB-CE 3.43Å; I86-M91 HydrophobicContact CB-SD 3.98Å; I86-M91 PolarHBondContact N-SD 3.38Å; C89-M91 PolarHBondContact O-N 2.98Å; C89-M91 VanDerWaalsContact O-N 3.15Å; M91-K105 HydrophobicContact CE-CB 3.67Å; M91-K105 HydrophobicContact CE-CD 3.65Å; M91-K105 HydrophobicContact CE-CG 3.92Å; M91-L106 HydrophobicContact CE-CD1 3.81Å; M91-L106 HydrophobicContact SD-CD1 3.53Å; M91-L106 VanDerWaalsContact SD-CD1 3.53Å; M91-C206 CarbonylContact C-O 3.12Å; M91-C206 WeakPolarHBondContact CA-O 3.41Å; M91-V208 HydrophobicContact CG-CG2 4.16Å; M91-V208 HydrophobicContact SD-CB 4.39Å; M91-V208 HydrophobicContact SD-CG2 4.27Å
92L90.1Very high82.7Confident0 Ų057.7 Ų57.70%033%0.334CS..PPolyproline II helixtrans-74.1139.1170-17756.5000110.5P124 W126 A129 L195 L205 C206 A207L92-P124 HydrophobicContact CD1-CB 4.35Å; L92-P124 HydrophobicContact CD2-CB 3.54Å; L92-P124 HydrophobicContact CD2-CG 4.47Å; L92-P124 HydrophobicContact CG-CB 3.93Å; L92-W126 HydrophobicContact CD1-CD2 4.47Å; L92-W126 HydrophobicContact CD1-CE3 4.04Å; L92-W126 HydrophobicContact CD1-CZ3 4.44Å; L92-W126 HydrophobicContact CD2-CD2 4.41Å; L92-W126 HydrophobicContact CD2-CE3 3.88Å; L92-W126 HydrophobicContact CD2-CH2 3.69Å; L92-W126 HydrophobicContact CD2-CZ2 4.22Å; L92-W126 HydrophobicContact CD2-CZ3 3.5Å; L92-W126 VanDerWaalsContact CD2-CZ3 3.5Å; L92-A129 HydrophobicContact CD1-CB 3.6Å; L92-L195 HydrophobicContact CD2-CD1 4.35Å; L92-L205 HydrophobicContact CB-CD1 4.46Å; L92-C206 WeakPolarHBondContact CB-O 3.49Å; L92-C206 PolarHBondContact N-O 2.84Å; L92-A207 HydrophobicContact CD2-CB 4.09Å
93Y90.6Very high82.2Confident81 Ų8161.1 Ų61.132%0.31835%0.345SS..PPolyproline II helixtrans-86.1145.6174.4-66.7-91.5000110.4R103 K105 D125 A128Y93-R103 HydrophobicContact CD1-CB 4.3Å; Y93-K105 HydrophobicContact CD1-CG 3.98Å; Y93-K105 HydrophobicContact CE1-CD 4.37Å; Y93-K105 HydrophobicContact CE1-CG 3.67Å; Y93-D125 PolarHBondContact O-N 3.33Å; Y93-A128 HydrophobicContact CD2-CB 4.26Å
94F90.3Very high81.9Confident11 Ų1163.4 Ų63.45%0.04836%0.355CS..BIsolated β-bridgetrans-113.3137172.1-62-97.8000110.2R103 M104 P107 P123 P124 I174 A207 F209F94-R103 CarbonylContact O-C 3.52Å; F94-R103 WeakPolarHBondContact O-CA 3.43Å; F94-M104 PolarHBondContact N-O 3.35Å; F94-M104 PolarHBondContact O-N 3.28Å; F94-P107 HydrophobicContact CB-CG 4.04Å; F94-P107 HydrophobicContact CD1-CG 4.28Å; F94-P107 HydrophobicContact CD2-CG 3.54Å; F94-P107 HydrophobicContact CE2-CG 3.95Å; F94-P107 HydrophobicContact CG-CG 3.71Å; F94-P107 HydrophobicContact CZ-CG 4.46Å; F94-P123 WeakPolarHBondContact CA-O 3.23Å; F94-P124 HydrophobicContact CD1-CB 4.31Å; F94-P124 HydrophobicContact CD1-CG 4.32Å; F94-P124 HydrophobicContact CE1-CB 4.35Å; F94-P124 HydrophobicContact CE1-CG 4.18Å; F94-I174 HydrophobicContact CE1-CD1 4.26Å; F94-I174 HydrophobicContact CZ-CD1 4.49Å; F94-A207 HydrophobicContact CZ-CB 4.06Å; F94-F209 HydrophobicContact CZ-CD1 4.24Å
95G85Confident81.7Confident2 Ų263.6 Ų63.62%0.02135%0.353CS..SBendtrans155.2173.5-179.200000113Y97 P123G95-Y97 PolarHBondContact O-N 3.03Å; G95-P123 PolarHBondContact N-O 3.25Å
96T75.8Confident81.8Confident66 Ų6661.9 Ų61.941%0.40534%0.341SS..  trans-64.5123.8174.132.20000111G98 Q99T96-G98 PolarHBondContact O-N 2.94Å; T96-Q99 PolarHBondContact O-N 3.27Å; T96-Q99 VanDerWaalsContact O-N 3.14Å; T96-Q99 PolarHBondContact OG1-OE1 3.13Å
97Y67.7Low82Confident124 Ų12461.4 Ų61.449%0.48634%0.338SS..THydrogen-bonded Turntrans-55.7135.6-179.7173.9-110.6000111.6G95 Q99 K127G95-Y97 PolarHBondContact O-N 3.03Å; Y97-Q99 VanDerWaalsContact C-N 3.28Å; Y97-Q99 PolarHBondContact O-N 3.44Å; Y97-K127 HydrophobicContact CD2-CD 4.46Å; Y97-K127 HydrophobicContact CE2-CB 3.88Å; Y97-K127 HydrophobicContact CE2-CD 3.6Å; Y97-K127 HydrophobicContact CE2-CG 3.96Å; Y97-K127 PolarHBondContact OH-NZ 3.02Å
98G64.3Low82.5Confident55 Ų5556.4 Ų56.457%0.56730%0.303SS*.THydrogen-bonded Turntrans84.7-19.5-178.400000115.2T96T96-G98 PolarHBondContact O-N 2.94Å
99Q71.1Confident83.1Confident106 Ų10652.6 Ų52.650%0.49528%0.282SS..  trans-87.7127.9174.5-65-177.2-7.800110.4T96 Y97 R103T96-Q99 PolarHBondContact O-N 3.27Å; T96-Q99 VanDerWaalsContact O-N 3.14Å; T96-Q99 PolarHBondContact OG1-OE1 3.13Å; Y97-Q99 VanDerWaalsContact C-N 3.28Å; Y97-Q99 PolarHBondContact O-N 3.44Å; Q99-R103 WeakPolarHBondContact O-CG 3.46Å; Q99-R103 PolarHBondContact O-NE 3.16Å
100T72.6Confident83.4Confident102 Ų10257.7 Ų57.763%0.62630%0.302SS*.SBendtrans-85.9-41.9172.3490000111.1G102 R103T100-G102 PolarHBondContact O-N 3.16Å; T100-R103 PolarHBondContact O-N 3.43Å
101T70.4Confident83.6Confident121 Ų12151.9 Ų51.974%0.74228%0.281SS*.THydrogen-bonded Turntrans-7088.4176.350.90000111
102G74.4Confident83.8Confident54 Ų5451.6 Ų51.656%0.55728%0.28SS*.THydrogen-bonded Turntrans134.8-11.2-178.800000114.7T100 M104T100-G102 PolarHBondContact O-N 3.16Å; G102-M104 PolarHBondContact O-N 3.23Å
103R82.3Confident83.8Confident81 Ų8157.1 Ų57.131%0.30631%0.309SS..  trans-62.2121.3173.5-80.1176.9175.9150.90.3110.8Y93 F94 Q99 T100 D125Y93-R103 HydrophobicContact CD1-CB 4.3Å; F94-R103 CarbonylContact O-C 3.52Å; F94-R103 WeakPolarHBondContact O-CA 3.43Å; Q99-R103 WeakPolarHBondContact O-CG 3.46Å; Q99-R103 PolarHBondContact O-NE 3.16Å; T100-R103 PolarHBondContact O-N 3.43Å; R103-D125 IonicContact CZ-OD2 3.18Å; R103-D125 IonicContact NE-OD2 2.9Å; R103-D125 PolarHBondContact NE-OD2 2.94Å; R103-D125 IonicContact NH2-OD2 2.67Å; R103-D125 PolarHBondContact NH2-OD2 3.33Å
104M87.6Confident83.9Confident63 Ų6357.3 Ų57.331%0.3132%0.319SS..BIsolated β-bridgetrans-116.9135.4-179.6-162.3170.2-163.700111P73 F94 G102 P107P73-M104 HydrophobicContact CG-CE 3.59Å; F94-M104 PolarHBondContact N-O 3.35Å; F94-M104 PolarHBondContact O-N 3.28Å; G102-M104 PolarHBondContact O-N 3.23Å; M104-P107 HydrophobicContact SD-CB 4.34Å
105K88.6Confident83.9Confident60 Ų6058.5 Ų58.526%0.26133%0.334SS..SBendtrans-80.8-43.1177.7-73.6176.5-176.8172.10113.2D84 M91 Y93D84-K105 WeakPolarHBondContact O-CB 3.38Å; D84-K105 IonicContact OD2-NZ 3.85Å; D84-K105 PolarHBondContact OD2-NZ 3.11Å; M91-K105 HydrophobicContact CE-CB 3.67Å; M91-K105 HydrophobicContact CE-CD 3.65Å; M91-K105 HydrophobicContact CE-CG 3.92Å; Y93-K105 HydrophobicContact CD1-CG 3.98Å; Y93-K105 HydrophobicContact CE1-CD 4.37Å; Y93-K105 HydrophobicContact CE1-CG 3.67Å
106L91.7Very high84.2Confident2 Ų263 Ų631%0.0136%0.355CS..SBendtrans-122.875178.1-86.479.1000110.9A74 I86 M91 I190 V208 R210A74-L106 HydrophobicContact CB-CD2 3.48Å; A74-L106 VanDerWaalsContact CB-CD2 3.48Å; I86-L106 HydrophobicContact CD1-CD1 4.5Å; I86-L106 HydrophobicContact CD1-CD2 3.99Å; M91-L106 HydrophobicContact CE-CD1 3.81Å; M91-L106 HydrophobicContact SD-CD1 3.53Å; M91-L106 VanDerWaalsContact SD-CD1 3.53Å; L106-I190 HydrophobicContact CD2-CD1 4.26Å; L106-V208 HydrophobicContact CD2-CG1 4.47Å; L106-V208 HydrophobicContact CG-CG1 4.22Å; L106-R210 PolarHBondContact O-NE 3.13Å; L106-R210 PolarHBondContact O-NH2 3.48Å
107P92.6Very high85Confident1 Ų162 Ų621%0.00635%0.346CS..  trans-62.2154.2174.629.9-37.1000111.9F94 M104 V109 L122 F209 R210F94-P107 HydrophobicContact CB-CG 4.04Å; F94-P107 HydrophobicContact CD1-CG 4.28Å; F94-P107 HydrophobicContact CD2-CG 3.54Å; F94-P107 HydrophobicContact CE2-CG 3.95Å; F94-P107 HydrophobicContact CG-CG 3.71Å; F94-P107 HydrophobicContact CZ-CG 4.46Å; M104-P107 HydrophobicContact SD-CB 4.34Å; P107-V109 HydrophobicContact CB-CG1 4.29Å; P107-V109 HydrophobicContact CG-CG1 4.24Å; P107-L122 HydrophobicContact CB-CD1 4.18Å; P107-F209 HydrophobicContact CG-CB 4.13Å; P107-R210 PolarHBondContact O-N 3.15Å
108T93.1Very high86.1Confident7 Ų756.8 Ų56.84%0.04333%0.327CS..EExtended strand (participates in β ladder)trans-91.7120.7167.2-48.30000108.7F33 R210 I212F33-T108 WeakPolarHBondContact CD2-O 3.44Å; F33-T108 WeakPolarHBondContact CE2-O 3.35Å; T108-R210 CarbonylContact C-O 3.6Å; T108-R210 WeakPolarHBondContact CA-O 3.43Å; T108-R210 PolarHBondContact OG1-NH1 2.84Å; T108-R210 PolarHBondContact OG1-NH2 2.89Å; T108-I212 HydrophobicContact CG2-CD1 4.45Å; T108-I212 HydrophobicContact CG2-CG1 3.52Å
109V93.6Very high87.2Confident3 Ų355 Ų552%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-122.7151.3-175.2-54.50000112.1P107 V118 F209 R210 V211 I212P107-V109 HydrophobicContact CB-CG1 4.29Å; P107-V109 HydrophobicContact CG-CG1 4.24Å; V109-V118 HydrophobicContact CB-CG1 4.09Å; V109-V118 HydrophobicContact CG1-CG1 4.43Å; V109-V118 HydrophobicContact CG2-CG1 3.99Å; V109-F209 HydrophobicContact CG1-CB 4.08Å; V109-F209 HydrophobicContact CG1-CG 4.48Å; V109-F209 HydrophobicContact CG2-CB 3.96Å; V109-F209 HydrophobicContact CG2-CD2 3.31Å; V109-F209 HydrophobicContact CG2-CE2 3.94Å; V109-F209 HydrophobicContact CG2-CG 3.77Å; V109-R210 PolarHBondContact N-O 2.85Å; V109-V211 WeakPolarHBondContact O-CA 3.44Å; V109-I212 WeakPolarHBondContact O-CG1 3.33Å; V109-I212 PolarHBondContact O-N 3.15Å
110F92.5Very high87.9Confident129 Ų12954 Ų5457%0.56631%0.309SS*.  trans-93.2134.5164.8-173.8-111000109.3P112 I212F110-P112 WeakPolarHBondContact O-CD 3.18Å; F110-I212 HydrophobicContact CB-CD1 4.17Å
111L92.7Very high88.4Confident2 Ų253.4 Ų53.41%0.0131%0.309CS..  trans-79.3117.9167.8-69.3178.6000108.3F163 W176 Q183 L186 F209 V211L111-F163 HydrophobicContact CD2-CE1 3.73Å; L111-F163 HydrophobicContact CD2-CZ 3.82Å; L111-W176 HydrophobicContact CD1-CH2 4.02Å; L111-W176 HydrophobicContact CD1-CZ2 4.29Å; L111-W176 HydrophobicContact CD1-CZ3 4.18Å; L111-W176 HydrophobicContact CD2-CD2 4.26Å; L111-W176 HydrophobicContact CD2-CE3 4.04Å; L111-W176 HydrophobicContact CD2-CZ3 4.33Å; L111-Q183 HydrophobicContact CB-CG 3.96Å; L111-Q183 PolarHBondContact O-NE2 3.09Å; L111-L186 HydrophobicContact CD1-CB 3.66Å; L111-L186 HydrophobicContact CD1-CD1 4.16Å; L111-F209 HydrophobicContact CD2-CE2 4.38Å; L111-V211 HydrophobicContact CD1-CG1 3.96Å; L111-V211 HydrophobicContact CD1-CG2 4.04Å; L111-V211 HydrophobicContact CD2-CG2 4.49Å; L111-V211 HydrophobicContact CG-CG1 3.86Å; L111-V211 HydrophobicContact CG-CG2 4.06Å
112P92.1Very high89.2Confident13 Ų1349.7 Ų49.78%0.08428%0.284CS..  trans-81.7-164.6-171.338-40.3000111.8F110 Q116 W176 Q183F110-P112 WeakPolarHBondContact O-CD 3.18Å; P112-Q116 HydrophobicContact CB-CB 3.76Å; P112-Q116 HydrophobicContact CG-CB 3.72Å; P112-W176 HydrophobicContact CG-CB 3.96Å; P112-W176 HydrophobicContact CG-CG 4.4Å; P112-W176 PolarHBondContact O-NE1 3.38Å; P112-Q183 PolarHBondContact O-NE2 3.31Å
113L90.6Very high89.8Confident117 Ų11748.2 Ų48.261%0.61327%0.265SS*.SBendtrans-70.1155.5167.3-64.5176.3000110.6G115 Q116L113-G115 PolarHBondContact O-N 2.86Å; L113-Q116 HydrophobicContact CB-CG 4.49Å; L113-Q116 WeakPolarHBondContact O-CB 3.45Å; L113-Q116 PolarHBondContact O-N 3.16Å; L113-Q116 VanDerWaalsContact O-N 3.15Å
114T92.1Very high90.2Very high85 Ų8544.9 Ų44.952%0.52125%0.254SS..THydrogen-bonded Turntrans-51.3130.3175.6-45.90000111.3L177 G178T114-L177 WeakPolarHBondContact CG2-O 3.33Å; T114-G178 PolarHBondContact OG1-O 3.38Å
115G90.6Very high90.2Very high36 Ų3642 Ų4237%0.37124%0.24SC..THydrogen-bonded Turntrans90.7-0.8-177.700000115.4L113 Q175 W176L113-G115 PolarHBondContact O-N 2.86Å; G115-Q175 PolarHBondContact O-NE2 3.46Å; G115-W176 WeakPolarHBondContact CA-O 3.35Å; G115-W176 PolarHBondContact N-O 3.12Å
116Q92.8Very high90.2Very high96 Ų9639.8 Ų39.845%0.44923%0.23SC..PPolyproline II helixtrans-101.3157-177.7-62.9-178.8-13.400113.1P112 L113 W176P112-Q116 HydrophobicContact CB-CB 3.76Å; P112-Q116 HydrophobicContact CG-CB 3.72Å; L113-Q116 HydrophobicContact CB-CG 4.49Å; L113-Q116 WeakPolarHBondContact O-CB 3.45Å; L113-Q116 PolarHBondContact O-N 3.16Å; L113-Q116 VanDerWaalsContact O-N 3.15Å; Q116-W176 PolarHBondContact O-N 3.01Å
117I91.6Very high89.7Confident45 Ų4544.5 Ų44.523%0.23125%0.25CS..BIsolated β-bridgetrans-71.7134.2177.4-69.5168000110.7S119 P120 L166 H173I117-S119 PolarHBondContact O-N 2.9Å; I117-P120 HydrophobicContact CG2-CB 3.93Å; I117-L166 HydrophobicContact CD1-CD2 4.4Å; I117-L166 HydrophobicContact CG1-CD2 4.24Å; I117-H173 HydrophobicContact CD1-CB 3.99Å; I117-H173 HydrophobicContact CG1-CB 4.04Å; I117-H173 HydrophobicContact CG2-CB 3.85Å
118V91.4Very high89.3Confident14 Ų1446.1 Ų46.19%0.08526%0.264CS..SBendtrans-74.5118.9172.6-176.80000109V109 F163 I174 W176V109-V118 HydrophobicContact CB-CG1 4.09Å; V109-V118 HydrophobicContact CG1-CG1 4.43Å; V109-V118 HydrophobicContact CG2-CG1 3.99Å; V118-F163 HydrophobicContact CG2-CD1 4.09Å; V118-F163 HydrophobicContact CG2-CE1 3.93Å; V118-I174 HydrophobicContact CG2-CG2 4.27Å; V118-I174 PolarHBondContact N-O 2.86Å; V118-W176 HydrophobicContact CG2-CB 3.84Å
119S86.2Confident88.7Confident18 Ų1846 Ų4613%0.12626%0.264CS..  trans48.761.9174.4-1650000115.1I117 S121 L122I117-S119 PolarHBondContact O-N 2.9Å; S119-S121 PolarHBondContact O-N 2.99Å; S119-L122 CarbonylContact O-C 3.54Å; S119-L122 PolarHBondContact O-N 3.36Å
120P85.7Confident88.1Confident85 Ų8548.3 Ų48.355%0.55229%0.288SS*.THydrogen-bonded Turntrans-59.8-19.7-17524.8-35.2000114.8I117 L122I117-P120 HydrophobicContact CG2-CB 3.93Å; P120-L122 VanDerWaalsContact C-N 3.32Å
121S84.3Confident87.6Confident89 Ų8942.8 Ų42.862%0.62227%0.265SS*.THydrogen-bonded Turntrans-76.6-11.6174.4530000114.8S119S119-S121 PolarHBondContact O-N 2.99Å
122L86.8Confident87.2Confident43 Ų4350 Ų5023%0.22530%0.296CS..SBendtrans-131.972.4178.8-70.3171.6000109.1P107 S119 P120P107-L122 HydrophobicContact CB-CD1 4.18Å; S119-L122 CarbonylContact O-C 3.54Å; S119-L122 PolarHBondContact O-N 3.36Å; P120-L122 VanDerWaalsContact C-N 3.32Å
123P88Confident86.8Confident23 Ų2352.2 Ų52.215%0.14931%0.307CS..  trans-64.7157.9179.328.4-34.8000111.6F94 G95F94-P123 WeakPolarHBondContact CA-O 3.23Å; G95-P123 PolarHBondContact N-O 3.25Å
124P89.9Confident86.4Confident12 Ų1250.7 Ų50.78%0.07830%0.299CS..BIsolated β-bridgetrans-75.3134.3174.9-6.923.9000111.4L92 F94 W126 I174L92-P124 HydrophobicContact CD1-CB 4.35Å; L92-P124 HydrophobicContact CD2-CB 3.54Å; L92-P124 HydrophobicContact CD2-CG 4.47Å; L92-P124 HydrophobicContact CG-CB 3.93Å; F94-P124 HydrophobicContact CD1-CB 4.31Å; F94-P124 HydrophobicContact CD1-CG 4.32Å; F94-P124 HydrophobicContact CE1-CB 4.35Å; F94-P124 HydrophobicContact CE1-CG 4.18Å; P124-W126 HydrophobicContact CB-CD2 4.36Å; P124-W126 HydrophobicContact CB-CZ2 3.93Å; P124-W126 HydrophobicContact CG-CZ2 3.87Å; P124-W126 VanDerWaalsContact O-CD1 3.24Å; P124-W126 PolarHBondContact O-N 3.18Å; P124-I174 HydrophobicContact CG-CD1 4.34Å; P124-I174 HydrophobicContact CG-CG1 4.27Å
125D88.2Confident85.8Confident3 Ų354.7 Ų54.72%0.01632%0.317CS..  trans-90.278.8176.9-167.1-23.8000110.3Y93 R103 K127 A128 A129Y93-D125 PolarHBondContact O-N 3.33Å; R103-D125 IonicContact CZ-OD2 3.18Å; R103-D125 IonicContact NE-OD2 2.9Å; R103-D125 PolarHBondContact NE-OD2 2.94Å; R103-D125 IonicContact NH2-OD2 2.67Å; R103-D125 PolarHBondContact NH2-OD2 3.33Å; D125-K127 PolarHBondContact O-N 3.05Å; D125-K127 PolarHBondContact OD1-N 2.87Å; D125-A128 HydrophobicContact CB-CB 3.92Å; D125-A128 VanDerWaalsContact CG-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.23Å; D125-A128 VanDerWaalsContact O-N 3.14Å; D125-A128 WeakPolarHBondContact OD1-CB 3.34Å; D125-A128 PolarHBondContact OD1-N 2.76Å; D125-A129 PolarHBondContact O-N 2.97Å
126W87.1Confident85.2Confident12 Ų1257.9 Ų57.95%0.04533%0.326CS..THydrogen-bonded Turntrans-54.1-35.8179.7-58.3106.3000113.4L92 P124 A129 G130 V131 L133 V139 L165 T172 L195 L205L92-W126 HydrophobicContact CD1-CD2 4.47Å; L92-W126 HydrophobicContact CD1-CE3 4.04Å; L92-W126 HydrophobicContact CD1-CZ3 4.44Å; L92-W126 HydrophobicContact CD2-CD2 4.41Å; L92-W126 HydrophobicContact CD2-CE3 3.88Å; L92-W126 HydrophobicContact CD2-CH2 3.69Å; L92-W126 HydrophobicContact CD2-CZ2 4.22Å; L92-W126 HydrophobicContact CD2-CZ3 3.5Å; L92-W126 VanDerWaalsContact CD2-CZ3 3.5Å; P124-W126 HydrophobicContact CB-CD2 4.36Å; P124-W126 HydrophobicContact CB-CZ2 3.93Å; P124-W126 HydrophobicContact CG-CZ2 3.87Å; P124-W126 VanDerWaalsContact O-CD1 3.24Å; P124-W126 PolarHBondContact O-N 3.18Å; W126-A129 WeakPolarHBondContact O-CB 3.37Å; W126-A129 PolarHBondContact O-N 3.19Å; W126-G130 PolarHBondContact O-N 3.14Å; W126-V131 WeakPolarHBondContact O-CB 3.32Å; W126-V131 PolarHBondContact O-N 2.93Å; W126-L133 HydrophobicContact CB-CD2 4.26Å; W126-V139 HydrophobicContact CB-CG2 4.17Å; W126-V139 HydrophobicContact CD2-CB 4.47Å; W126-V139 HydrophobicContact CD2-CG1 4.1Å; W126-V139 HydrophobicContact CD2-CG2 3.59Å; W126-V139 HydrophobicContact CE3-CG1 3.79Å; W126-V139 HydrophobicContact CE3-CG2 4.15Å; W126-V139 HydrophobicContact CG-CG2 3.57Å; W126-V139 HydrophobicContact CH2-CG1 4.41Å; W126-V139 HydrophobicContact CZ2-CG2 4.5Å; W126-V139 HydrophobicContact CZ3-CG1 3.96Å; W126-L165 HydrophobicContact CH2-CD1 4.31Å; W126-L165 HydrophobicContact CH2-CD2 3.92Å; W126-L165 HydrophobicContact CZ2-CD2 4.11Å; W126-T172 HydrophobicContact CZ2-CG2 4.03Å; W126-T172 PolarHBondContact NE1-O 3.4Å; W126-L195 HydrophobicContact CH2-CD1 3.77Å; W126-L195 HydrophobicContact CZ3-CD1 3.66Å; W126-L205 HydrophobicContact CZ3-CD2 4.36Å
127K82.6Confident84.6Confident102 Ų10253.8 Ų53.844%0.44331%0.309SS..THydrogen-bonded Turntrans-76.2-33.4-179.3-48.2-162.1-150.3176.90111.7Y97 D125 A129 G130Y97-K127 HydrophobicContact CD2-CD 4.46Å; Y97-K127 HydrophobicContact CE2-CB 3.88Å; Y97-K127 HydrophobicContact CE2-CD 3.6Å; Y97-K127 HydrophobicContact CE2-CG 3.96Å; Y97-K127 PolarHBondContact OH-NZ 3.02Å; D125-K127 PolarHBondContact O-N 3.05Å; D125-K127 PolarHBondContact OD1-N 2.87Å; K127-A129 VanDerWaalsContact C-N 3.25Å; K127-A129 PolarHBondContact O-N 3.05Å; K127-G130 WeakPolarHBondContact O-CA 3.42Å; K127-G130 PolarHBondContact O-N 3.1Å
128A82.6Confident84.3Confident35 Ų3554.3 Ų54.329%0.28931%0.312SS..THydrogen-bonded Turntrans-66.1-26.9169.700000112.9Y93 D125 G130Y93-A128 HydrophobicContact CD2-CB 4.26Å; D125-A128 HydrophobicContact CB-CB 3.92Å; D125-A128 VanDerWaalsContact CG-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.23Å; D125-A128 VanDerWaalsContact O-N 3.14Å; D125-A128 WeakPolarHBondContact OD1-CB 3.34Å; D125-A128 PolarHBondContact OD1-N 2.76Å; A128-G130 PolarHBondContact O-N 3.43Å
129A81.4Confident84.1Confident5 Ų554.3 Ų54.34%0.04131%0.313CS..THydrogen-bonded Turntrans-73.9-11.9167.900000113.6R90 L92 D125 W126 K127 V131 L205R90-A129 VanDerWaalsContact CZ-O 3.27Å; R90-A129 PolarHBondContact NE-O 3.47Å; R90-A129 PolarHBondContact NH2-O 2.96Å; L92-A129 HydrophobicContact CD1-CB 3.6Å; D125-A129 PolarHBondContact O-N 2.97Å; W126-A129 WeakPolarHBondContact O-CB 3.37Å; W126-A129 PolarHBondContact O-N 3.19Å; K127-A129 VanDerWaalsContact C-N 3.25Å; K127-A129 PolarHBondContact O-N 3.05Å; A129-V131 HydrophobicContact CB-CG2 4.35Å; A129-L205 HydrophobicContact CB-CD1 3.76Å
130G80.3Confident84.1Confident51 Ų5155.2 Ų55.253%0.52632%0.318SS..THydrogen-bonded Turntrans87.47.6-177.100000114.4W126 K127 A128W126-G130 PolarHBondContact O-N 3.14Å; K127-G130 WeakPolarHBondContact O-CA 3.42Å; K127-G130 PolarHBondContact O-N 3.1Å; A128-G130 PolarHBondContact O-N 3.43Å
131V83.5Confident84.3Confident13 Ų1352 Ų528%0.07930%0.297CS..PPolyproline II helixtrans-77.5126.2177.2-176.50000109.1W126 A129 V139 P140 L205W126-V131 WeakPolarHBondContact O-CB 3.32Å; W126-V131 PolarHBondContact O-N 2.93Å; A129-V131 HydrophobicContact CB-CG2 4.35Å; V131-V139 HydrophobicContact CG1-CG1 4.21Å; V131-P140 HydrophobicContact CG1-CG 4.41Å; V131-L205 HydrophobicContact CG2-CD2 3.95Å
132K83.3Confident84.5Confident152 Ų15250.6 Ų50.666%0.66129%0.291SS*.PPolyproline II helixtrans-73.8136.7169.2-63.9171.9-172.2163.40108.5P140K132-P140 WeakPolarHBondContact O-CD 3.46Å; K132-P140 WeakPolarHBondContact O-CG 3.26Å
133L83.1Confident84.6Confident60 Ų6050.9 Ų50.931%0.31429%0.292SS..PPolyproline II helixtrans-83.1147.6169.1-59.6178.9000108.8W126 N138 V139W126-L133 HydrophobicContact CB-CD2 4.26Å; L133-N138 WeakPolarHBondContact CA-O 3.45Å; L133-V139 HydrophobicContact CD2-CB 4.47Å; L133-V139 HydrophobicContact CD2-CG2 3.42Å; L133-V139 VanDerWaalsContact CD2-CG2 3.42Å
134D82.8Confident84.7Confident85 Ų8553.4 Ų53.446%0.45531%0.311SS..PPolyproline II helixtrans-68164.3165.3-169.215.3000110.5D136 G137 N138D134-D136 PolarHBondContact O-N 3.38Å; D134-G137 WeakPolarHBondContact O-CA 3.39Å; D134-G137 PolarHBondContact O-N 3.45Å; D134-N138 HydrophobicContact CB-CB 3.99Å; D134-N138 WeakPolarHBondContact CB-O 3.49Å; D134-N138 PolarHBondContact N-O 3.47Å
135D79.6Confident84.7Confident169 Ų16955.1 Ų55.190%0.90432%0.323SS*.THydrogen-bonded Turntrans-61.7-30.6-175.5-76.4-30.8000112.5G137D135-G137 PolarHBondContact O-N 2.83Å
136D78.8Confident84.9Confident104 Ų10455.1 Ų55.156%0.55632%0.323SS*.THydrogen-bonded Turntrans-69.4-9.3172.5-81.5-17.3000114.2D134 N138 N167 H170D134-D136 PolarHBondContact O-N 3.38Å; D136-N138 VanDerWaalsContact C-N 3.29Å; D136-N138 VanDerWaalsContact CB-ND2 3.26Å; D136-N138 WeakPolarHBondContact CB-ND2 3.38Å; D136-N138 PolarHBondContact OD2-ND2 2.79Å; D136-N167 PolarHBondContact O-ND2 3.48Å; D136-H170 PolarHBondContact O-ND1 2.93Å
137G79.4Confident85.1Confident9 Ų954.9 Ų54.99%0.09332%0.324CS..SBendtrans79.78.9-166.200000113.9D134 D135D134-G137 WeakPolarHBondContact O-CA 3.39Å; D134-G137 PolarHBondContact O-N 3.45Å; D135-G137 PolarHBondContact O-N 2.83Å
138N84.4Confident85.6Confident56 Ų5650.7 Ų50.730%0.29931%0.305SS..  trans-66.1146.4172-65.4-44.3000110.5L133 D134 D136 N167L133-N138 WeakPolarHBondContact CA-O 3.45Å; D134-N138 HydrophobicContact CB-CB 3.99Å; D134-N138 WeakPolarHBondContact CB-O 3.49Å; D134-N138 PolarHBondContact N-O 3.47Å; D136-N138 VanDerWaalsContact C-N 3.29Å; D136-N138 VanDerWaalsContact CB-ND2 3.26Å; D136-N138 WeakPolarHBondContact CB-ND2 3.38Å; D136-N138 PolarHBondContact OD2-ND2 2.79Å; N138-N167 PolarHBondContact OD1-ND2 3.32Å
139V87.3Confident86Confident15 Ų1549 Ų499%0.09129%0.292CS..  trans-92.3121.1169.2167.80000108.3W126 V131 L133 C141 T172W126-V139 HydrophobicContact CB-CG2 4.17Å; W126-V139 HydrophobicContact CD2-CB 4.47Å; W126-V139 HydrophobicContact CD2-CG1 4.1Å; W126-V139 HydrophobicContact CD2-CG2 3.59Å; W126-V139 HydrophobicContact CE3-CG1 3.79Å; W126-V139 HydrophobicContact CE3-CG2 4.15Å; W126-V139 HydrophobicContact CG-CG2 3.57Å; W126-V139 HydrophobicContact CH2-CG1 4.41Å; W126-V139 HydrophobicContact CZ2-CG2 4.5Å; W126-V139 HydrophobicContact CZ3-CG1 3.96Å; V131-V139 HydrophobicContact CG1-CG1 4.21Å; L133-V139 HydrophobicContact CD2-CB 4.47Å; L133-V139 HydrophobicContact CD2-CG2 3.42Å; L133-V139 VanDerWaalsContact CD2-CG2 3.42Å; V139-C141 HydrophobicContact CG1-CB 3.77Å; V139-C141 WeakPolarHBondContact CG1-SG 3.46Å; V139-C141 PolarHBondContact O-N 3.48Å; V139-T172 HydrophobicContact CB-CG2 4.06Å; V139-T172 HydrophobicContact CG2-CG2 4.01Å; V139-T172 WeakPolarHBondContact CG2-OG1 3.33Å; V139-T172 PolarHBondContact N-OG1 3.3Å
140P87Confident86.3Confident36 Ų3649.3 Ų49.323%0.23429%0.293CS..  trans-78.658.1179.333.7-36.5000111.4V131 K132 C197 Q198V131-P140 HydrophobicContact CG1-CG 4.41Å; K132-P140 WeakPolarHBondContact O-CD 3.46Å; K132-P140 WeakPolarHBondContact O-CG 3.26Å; P140-C197 CarbonylContact O-C 3.55Å; P140-C197 WeakPolarHBondContact O-CA 3.43Å; P140-Q198 HydrophobicContact CB-CB 4.38Å; P140-Q198 PolarHBondContact O-N 2.98Å
141C89.3Confident86.5Confident18 Ų1851 Ų5112%0.12229%0.287CS..EExtended strand (participates in β ladder)trans-135.1146.4177.1-49.10000111.4V139 L165 Q196 C197V139-C141 HydrophobicContact CG1-CB 3.77Å; V139-C141 WeakPolarHBondContact CG1-SG 3.46Å; V139-C141 PolarHBondContact O-N 3.48Å; C141-L165 HydrophobicContact CB-CD1 4.47Å; C141-L165 WeakPolarHBondContact O-CD1 3.43Å; C141-Q196 CarbonylContact C-O 3.58Å; C141-Q196 VanDerWaalsContact CA-O 3.24Å; C141-Q196 WeakPolarHBondContact CA-O 3.24Å; C141-C197 HydrophobicContact CB-CB 4Å; C141-C197 WeakPolarHBondContact CB-SG 3.49Å; C141-C197 WeakPolarHBondContact SG-CB 3.29Å; C141-C197 CovalentContact SG-SG 2.03Å; C141-C197 PolarHBondContact SG-SG 3.01Å
142A88.6Confident86.6Confident59 Ų5954.7 Ų54.749%0.48831%0.314SS..EExtended strand (participates in β ladder)trans-114.2156.2171.500000111L195 Q196A142-L195 CarbonylContact O-C 3.6Å; A142-L195 WeakPolarHBondContact O-CA 3.41Å; A142-Q196 PolarHBondContact N-O 3.47Å; A142-Q196 PolarHBondContact O-N 3.35Å
143L90.4Very high86.8Confident49 Ų4948.2 Ų48.226%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-69.8131.2165.2-93.578.2000109.9I146 F163 L165 I193 L195L143-I146 HydrophobicContact CD2-CD1 4.45Å; L143-I146 HydrophobicContact CD2-CG1 4.26Å; L143-F163 HydrophobicContact CD2-CB 3.94Å; L143-L165 HydrophobicContact CD1-CD2 4.23Å; L143-L165 HydrophobicContact CD1-CG 3.89Å; L143-I193 HydrophobicContact CD1-CG2 4.16Å; L143-I193 HydrophobicContact CD2-CG2 3.51Å; L143-I193 HydrophobicContact CG-CG2 3.51Å; L143-L195 HydrophobicContact CD1-CD2 3.66Å; L143-L195 HydrophobicContact CG-CD2 3.88Å
144S88.3Confident87.1Confident76 Ų7648.5 Ų48.553%0.53129%0.286SS..EExtended strand (participates in β ladder)trans-100.4-46.5175.2-177.80000111.2S194S144-S194 PolarHBondContact N-O 2.9Å
145S90.1Very high87.5Confident48 Ų4846.4 Ų46.434%0.33628%0.275SS..EExtended strand (participates in β ladder)trans-156.2165.2-179.1590000111.8S194S145-S194 PolarHBondContact O-N 3.48Å; S145-S194 VanDerWaalsContact OG-CB 3.32Å; S145-S194 WeakPolarHBondContact OG-CB 3.44Å; S145-S194 PolarHBondContact OG-OG 3.35Å
146I92.7Very high88Confident4 Ų443 Ų432%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-128.8136.1169.6-48.7164.2000107.6L143 L157 A160 L162 F163 V191 E192 I193L143-I146 HydrophobicContact CD2-CD1 4.45Å; L143-I146 HydrophobicContact CD2-CG1 4.26Å; I146-L157 HydrophobicContact CB-CD1 4.13Å; I146-L157 HydrophobicContact CG2-CD1 3.77Å; I146-L157 HydrophobicContact CG2-CD2 4.27Å; I146-L157 WeakPolarHBondContact O-CD1 3.13Å; I146-L157 PolarHBondContact O-N 3.34Å; I146-A160 WeakPolarHBondContact CD1-O 3.33Å; I146-L162 HydrophobicContact CD1-CB 4.07Å; I146-F163 HydrophobicContact CD1-CD2 3.68Å; I146-F163 HydrophobicContact CD1-CE2 4.39Å; I146-F163 HydrophobicContact CG1-CD2 4.26Å; I146-F163 HydrophobicContact CG2-CD2 4.22Å; I146-F163 HydrophobicContact CG2-CE2 4.09Å; I146-V191 HydrophobicContact CG2-CG1 3.85Å; I146-E192 CarbonylContact C-O 3.54Å; I146-E192 VanDerWaalsContact CA-O 3.32Å; I146-E192 WeakPolarHBondContact CA-O 3.38Å; I146-E192 WeakPolarHBondContact CG2-O 3.06Å; I146-I193 HydrophobicContact CG2-CG1 4.32Å
147G92.3Very high88.5Confident6 Ų639.6 Ų39.66%0.06224%0.244CC..EExtended strand (participates in β ladder)trans-127.8161.4172.100000112.7I155 L157 V191 E192G147-I155 CarbonylContact C-O 3.52Å; G147-I155 VanDerWaalsContact CA-O 3.29Å; G147-I155 WeakPolarHBondContact CA-O 3.22Å; G147-L157 VanDerWaalsContact C-CD1 3.49Å; G147-V191 WeakPolarHBondContact O-CA 3.44Å; G147-E192 PolarHBondContact N-O 3.39Å; G147-E192 PolarHBondContact O-N 3.04Å
148Y92.7Very high88.7Confident14 Ų1446.4 Ų46.46%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-125.7145.4163.266.3-97000112.1T150 I155 L157 L186 K189 I190 E220Y148-T150 HydrophobicContact CD2-CG2 3.58Å; Y148-T150 HydrophobicContact CE2-CG2 3.39Å; Y148-I155 HydrophobicContact CD2-CB 4.41Å; Y148-I155 HydrophobicContact CE1-CB 4.24Å; Y148-I155 HydrophobicContact CE1-CG2 4.11Å; Y148-I155 HydrophobicContact CE2-CB 4.06Å; Y148-I155 HydrophobicContact CE2-CD1 4.12Å; Y148-I155 HydrophobicContact CE2-CG1 4.44Å; Y148-I155 PolarHBondContact N-O 2.88Å; Y148-I155 PolarHBondContact O-N 3.15Å; Y148-L157 HydrophobicContact CD1-CD1 3.63Å; Y148-L157 HydrophobicContact CD1-CG 4Å; Y148-L157 HydrophobicContact CE1-CD1 4.41Å; Y148-L157 HydrophobicContact CE1-CG 4.39Å; Y148-L186 HydrophobicContact CD1-CD2 4.05Å; Y148-L186 HydrophobicContact CG-CD2 4.29Å; Y148-K189 HydrophobicContact CD2-CD 3.53Å; Y148-K189 HydrophobicContact CE2-CD 3.93Å; Y148-K189 HydrophobicContact CG-CD 4.02Å; Y148-I190 CarbonylContact C-O 3.14Å; Y148-I190 WeakPolarHBondContact CA-O 3.47Å; Y148-I190 WeakPolarHBondContact CB-O 3.45Å; Y148-E220 PolarHBondContact OH-OE1 3.39Å; Y148-E220 PolarHBondContact OH-OE2 3.47Å
149L90.5Very high88.6Confident1 Ų148.2 Ų48.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-84.9136.6-179.6-166.471000111.8L76 H78 W154 I190L76-L149 HydrophobicContact CB-CD2 4.42Å; L76-L149 HydrophobicContact CD2-CD2 3.98Å; H78-L149 WeakPolarHBondContact ND1-CD1 3.04Å; H78-L149 WeakPolarHBondContact ND1-CD2 3.38Å; L149-W154 HydrophobicContact CB-CD2 4.38Å; L149-W154 HydrophobicContact CB-CE3 3.9Å; L149-W154 HydrophobicContact CB-CH2 3.95Å; L149-W154 HydrophobicContact CB-CZ2 4.4Å; L149-W154 HydrophobicContact CB-CZ3 3.68Å; L149-W154 HydrophobicContact CD1-CD2 3.68Å; L149-W154 HydrophobicContact CD1-CE3 4.08Å; L149-W154 HydrophobicContact CD1-CG 4.06Å; L149-W154 HydrophobicContact CD1-CH2 4.35Å; L149-W154 HydrophobicContact CD1-CZ2 3.95Å; L149-W154 HydrophobicContact CD1-CZ3 4.41Å; L149-I190 HydrophobicContact CB-CB 3.87Å; L149-I190 HydrophobicContact CB-CG1 4.39Å; L149-I190 HydrophobicContact CD2-CD1 3.78Å; L149-I190 HydrophobicContact CD2-CG1 4.45Å; L149-I190 PolarHBondContact N-O 3.19Å
150T88.3Confident88.2Confident11 Ų1149.6 Ų49.67%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-130.1-178.3174.9670000112Y148 S152 G153 I155Y148-T150 HydrophobicContact CD2-CG2 3.58Å; Y148-T150 HydrophobicContact CE2-CG2 3.39Å; T150-S152 PolarHBondContact O-N 2.77Å; T150-S152 PolarHBondContact OG1-N 3.42Å; T150-S152 PolarHBondContact OG1-OG 2.94Å; T150-G153 PolarHBondContact N-O 2.84Å; T150-G153 PolarHBondContact O-N 3.47Å; T150-G153 PolarHBondContact OG1-O 2.81Å; T150-I155 HydrophobicContact CG2-CD1 3.57Å; T150-I155 HydrophobicContact CG2-CG1 3.92Å
151H84.3Confident88.2Confident85 Ų8554.3 Ų54.339%0.39432%0.319SS..THydrogen-bonded Turntrans-62.1-22172.266.9-112.8000114.1Q77 E217Q77-H151 VanDerWaalsContact OE1-N 3.09Å; H151-E217 IonicContact CE1-OE1 2.89Å; H151-E217 PolarHBondContact CE1-OE1 2.9Å; H151-E217 IonicContact ND1-OE1 3.69Å; H151-E217 PolarHBondContact ND1-OE1 2.92Å
152S84.7Confident88.4Confident92 Ų9254 Ų5464%0.64332%0.316SS*.THydrogen-bonded Turntrans-97.3-6.7178.655.20000113.8T150T150-S152 PolarHBondContact O-N 2.77Å; T150-S152 PolarHBondContact OG1-N 3.42Å; T150-S152 PolarHBondContact OG1-OG 2.94Å
153G87.5Confident88.6Confident15 Ų1551.5 Ų51.516%0.15529%0.294CS..EExtended strand (participates in β ladder)trans122.8-156.4-176.100000112.2T150T150-G153 PolarHBondContact N-O 2.84Å; T150-G153 PolarHBondContact O-N 3.47Å; T150-G153 PolarHBondContact OG1-O 2.81Å
154W89.8Confident88.7Confident66 Ų6651.5 Ų51.525%0.2530%0.297CS..EExtended strand (participates in β ladder)trans-77.4131.2176.3-64.4106.9000111.6I86 D88 L149 I190 E192 V208I86-W154 HydrophobicContact CD1-CH2 3.96Å; I86-W154 HydrophobicContact CD1-CZ2 3.76Å; I86-W154 HydrophobicContact CG1-CZ2 4.27Å; I86-W154 HydrophobicContact CG2-CZ2 4.1Å; D88-W154 PolarHBondContact OD2-NE1 2.81Å; L149-W154 HydrophobicContact CB-CD2 4.38Å; L149-W154 HydrophobicContact CB-CE3 3.9Å; L149-W154 HydrophobicContact CB-CH2 3.95Å; L149-W154 HydrophobicContact CB-CZ2 4.4Å; L149-W154 HydrophobicContact CB-CZ3 3.68Å; L149-W154 HydrophobicContact CD1-CD2 3.68Å; L149-W154 HydrophobicContact CD1-CE3 4.08Å; L149-W154 HydrophobicContact CD1-CG 4.06Å; L149-W154 HydrophobicContact CD1-CH2 4.35Å; L149-W154 HydrophobicContact CD1-CZ2 3.95Å; L149-W154 HydrophobicContact CD1-CZ3 4.41Å; W154-I190 HydrophobicContact CH2-CB 4.41Å; W154-I190 HydrophobicContact CH2-CG2 3.77Å; W154-I190 HydrophobicContact CZ3-CG2 4.2Å; W154-E192 HydrophobicContact CE3-CB 4.06Å; W154-E192 HydrophobicContact CH2-CB 3.78Å; W154-E192 HydrophobicContact CZ3-CB 3.48Å; W154-E192 VanDerWaalsContact CZ3-CB 3.48Å; W154-V208 HydrophobicContact CH2-CG1 4.44Å
155I91.3Very high88.9Confident41 Ų4149.6 Ų49.621%0.2128%0.28CS..EExtended strand (participates in β ladder)trans-110.8120.7170.2-58.6-171.9000107.9G147 Y148 T150G147-I155 CarbonylContact C-O 3.52Å; G147-I155 VanDerWaalsContact CA-O 3.29Å; G147-I155 WeakPolarHBondContact CA-O 3.22Å; Y148-I155 HydrophobicContact CD2-CB 4.41Å; Y148-I155 HydrophobicContact CE1-CB 4.24Å; Y148-I155 HydrophobicContact CE1-CG2 4.11Å; Y148-I155 HydrophobicContact CE2-CB 4.06Å; Y148-I155 HydrophobicContact CE2-CD1 4.12Å; Y148-I155 HydrophobicContact CE2-CG1 4.44Å; Y148-I155 PolarHBondContact N-O 2.88Å; Y148-I155 PolarHBondContact O-N 3.15Å; T150-I155 HydrophobicContact CG2-CD1 3.57Å; T150-I155 HydrophobicContact CG2-CG1 3.92Å
156P90.8Very high88.9Confident99 Ų9950.1 Ų50.164%0.64328%0.279SS*.EExtended strand (participates in β ladder)trans-70.9143.8174.930.3-34.2000110.6
157L88.8Confident88.7Confident32 Ų3252.4 Ų52.417%0.16829%0.291CS..  trans-82.8139.2174.4-69.376.1000110.3I146 G147 Y148 N159 L162 L186I146-L157 HydrophobicContact CB-CD1 4.13Å; I146-L157 HydrophobicContact CG2-CD1 3.77Å; I146-L157 HydrophobicContact CG2-CD2 4.27Å; I146-L157 WeakPolarHBondContact O-CD1 3.13Å; I146-L157 PolarHBondContact O-N 3.34Å; G147-L157 VanDerWaalsContact C-CD1 3.49Å; Y148-L157 HydrophobicContact CD1-CD1 3.63Å; Y148-L157 HydrophobicContact CD1-CG 4Å; Y148-L157 HydrophobicContact CE1-CD1 4.41Å; Y148-L157 HydrophobicContact CE1-CG 4.39Å; L157-N159 PolarHBondContact O-N 3.2Å; L157-L162 HydrophobicContact CD2-CD1 3.46Å; L157-L162 VanDerWaalsContact CD2-CD1 3.46Å; L157-L186 HydrophobicContact CD2-CD1 4.13Å; L157-L186 HydrophobicContact CD2-CD2 4.17Å
158E83.1Confident88.3Confident151 Ų15154.2 Ų54.271%0.70630%0.303SS*.SBendtrans-61.2-30.4173.6-60.7-169.414300112.3
159N82Confident87.7Confident94 Ų9460.1 Ų60.150%0.50334%0.335SS..  trans-100.993.1-179.8-69-37.2000111L157 N161 L162L157-N159 PolarHBondContact O-N 3.2Å; N159-N161 PolarHBondContact O-N 3.1Å; N159-L162 HydrophobicContact CB-CD1 4.04Å; N159-L162 HydrophobicContact CB-CD2 4.18Å; N159-L162 HydrophobicContact CB-CG 3.86Å; N159-L162 WeakPolarHBondContact O-CG 3.48Å
160A80.3Confident87.2Confident44 Ų4466.4 Ų66.436%0.36437%0.365SS..G310 helixtrans-65.9-16.1173.800000114I146 L162I146-A160 WeakPolarHBondContact CD1-O 3.33Å; A160-L162 VanDerWaalsContact C-N 3.34Å; A160-L162 PolarHBondContact O-N 2.91Å
161N87.1Confident87Confident136 Ų13672 Ų7273%0.72739%0.385SS*.G310 helixtrans-91.115.8-172.3-60.69.1000113.9N159 F163N159-N161 PolarHBondContact O-N 3.1Å; N161-F163 VanDerWaalsContact C-N 3.32Å
162L91.9Very high87.2Confident12 Ų1268.4 Ų68.46%0.06337%0.369CS..G310 helixtrans-78.1-16.5-178.1-63.4173.3000113.7I146 L157 N159 A160 W176 L177 G178 D182I146-L162 HydrophobicContact CD1-CB 4.07Å; L157-L162 HydrophobicContact CD2-CD1 3.46Å; L157-L162 VanDerWaalsContact CD2-CD1 3.46Å; N159-L162 HydrophobicContact CB-CD1 4.04Å; N159-L162 HydrophobicContact CB-CD2 4.18Å; N159-L162 HydrophobicContact CB-CG 3.86Å; N159-L162 WeakPolarHBondContact O-CG 3.48Å; A160-L162 VanDerWaalsContact C-N 3.34Å; A160-L162 PolarHBondContact O-N 2.91Å; L162-W176 HydrophobicContact CB-CE3 4.48Å; L162-W176 HydrophobicContact CB-CZ3 3.91Å; L162-L177 PolarHBondContact O-N 2.95Å; L162-G178 VanDerWaalsContact CD2-CA 3.47Å; L162-G178 PolarHBondContact O-N 2.91Å; L162-D182 HydrophobicContact CD1-CB 4.31Å; L162-D182 HydrophobicContact CD2-CB 4.04Å; L162-D182 WeakPolarHBondContact CD2-OD2 3.01Å
163F94.2Very high87.5Confident5 Ų565.4 Ų65.42%0.02235%0.345CS..EExtended strand (participates in β ladder)trans-127.4157.3169.2-59.2-84000109.8L111 V118 L143 I146 N161 I174 Q175 W176 L186 V191 I193 F209L111-F163 HydrophobicContact CD2-CE1 3.73Å; L111-F163 HydrophobicContact CD2-CZ 3.82Å; V118-F163 HydrophobicContact CG2-CD1 4.09Å; V118-F163 HydrophobicContact CG2-CE1 3.93Å; L143-F163 HydrophobicContact CD2-CB 3.94Å; I146-F163 HydrophobicContact CD1-CD2 3.68Å; I146-F163 HydrophobicContact CD1-CE2 4.39Å; I146-F163 HydrophobicContact CG1-CD2 4.26Å; I146-F163 HydrophobicContact CG2-CD2 4.22Å; I146-F163 HydrophobicContact CG2-CE2 4.09Å; N161-F163 VanDerWaalsContact C-N 3.32Å; F163-I174 HydrophobicContact CB-CG2 4.19Å; F163-I174 HydrophobicContact CD1-CG2 3.87Å; F163-I174 HydrophobicContact CG-CG2 4.33Å; F163-Q175 CarbonylContact C-O 3.53Å; F163-Q175 VanDerWaalsContact CA-O 3.24Å; F163-Q175 WeakPolarHBondContact CA-O 3.3Å; F163-W176 AromaticContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CE1-CD2 4.37Å; F163-W176 AromaticContact CE1-CE3 3.38Å; F163-W176 HydrophobicContact CE1-CE3 3.38Å; F163-W176 AromaticContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE2-CE3 4.19Å; F163-W176 AromaticContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CG-CE3 4.42Å; F163-W176 AromaticContact CZ-CE3 3.56Å; F163-W176 HydrophobicContact CZ-CE3 3.56Å; F163-W176 AromaticContact CZ-CZ3 3.6Å; F163-W176 HydrophobicContact CZ-CZ3 3.6Å; F163-L186 HydrophobicContact CE2-CD1 4.48Å; F163-L186 HydrophobicContact CZ-CD1 4.49Å; F163-V191 HydrophobicContact CE2-CG1 3.84Å; F163-V191 HydrophobicContact CZ-CG1 4.16Å; F163-I193 HydrophobicContact CB-CD1 3.88Å; F163-I193 HydrophobicContact CD1-CD1 3.98Å; F163-I193 HydrophobicContact CD2-CD1 3.5Å; F163-I193 VanDerWaalsContact CD2-CD1 3.5Å; F163-I193 HydrophobicContact CD2-CG1 3.95Å; F163-I193 HydrophobicContact CE1-CD1 4.4Å; F163-I193 HydrophobicContact CE2-CD1 4Å; F163-I193 HydrophobicContact CE2-CG1 4.3Å; F163-I193 HydrophobicContact CG-CD1 3.52Å; F163-I193 HydrophobicContact CG-CG1 4.44Å; F163-I193 HydrophobicContact CZ-CD1 4.43Å; F163-F209 HydrophobicContact CE1-CE2 4.41Å; F163-F209 AromaticContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE2-CZ 4.32Å; F163-F209 HydrophobicContact CZ-CE2 4.11Å; F163-F209 AromaticContact CZ-CZ 3.65Å; F163-F209 HydrophobicContact CZ-CZ 3.65Å
164T92.8Very high87.7Confident50 Ų5065 Ų6531%0.30734%0.34SS..EExtended strand (participates in β ladder)trans-141.8164.8166.9-169.80000110Q175 L177T164-Q175 HydrophobicContact CG2-CB 3.86Å; T164-Q175 HydrophobicContact CG2-CG 4.4Å; T164-Q175 PolarHBondContact N-O 3.04Å; T164-Q175 PolarHBondContact O-N 3.38Å; T164-L177 HydrophobicContact CG2-CD1 3.68Å; T164-L177 HydrophobicContact CG2-CD2 4.43Å; T164-L177 HydrophobicContact CG2-CG 4.07Å
165L91.5Very high87.9Confident35 Ų3563.6 Ų63.618%0.18334%0.336CS..EExtended strand (participates in β ladder)trans-88.7137.3166.4-60.1-176.9000109.3W126 C141 L143 T172 H173 I174W126-L165 HydrophobicContact CH2-CD1 4.31Å; W126-L165 HydrophobicContact CH2-CD2 3.92Å; W126-L165 HydrophobicContact CZ2-CD2 4.11Å; C141-L165 HydrophobicContact CB-CD1 4.47Å; C141-L165 WeakPolarHBondContact O-CD1 3.43Å; L143-L165 HydrophobicContact CD1-CD2 4.23Å; L143-L165 HydrophobicContact CD1-CG 3.89Å; L165-T172 HydrophobicContact CB-CG2 3.83Å; L165-T172 HydrophobicContact CD1-CG2 4.35Å; L165-T172 HydrophobicContact CD2-CG2 4.31Å; L165-T172 HydrophobicContact CG-CG2 4.38Å; L165-H173 WeakPolarHBondContact CA-O 3.43Å; L165-I174 HydrophobicContact CD2-CG1 4.07Å
166L91Very high88.1Confident59 Ų5961.7 Ų61.731%0.30933%0.326SS..EExtended strand (participates in β ladder)trans-132.3110.9-179.7175.268.2000108.6I117 H173 Q175I117-L166 HydrophobicContact CD1-CD2 4.4Å; I117-L166 HydrophobicContact CG1-CD2 4.24Å; L166-H173 PolarHBondContact N-O 3.49Å; L166-H173 PolarHBondContact O-N 2.89Å; L166-Q175 HydrophobicContact CB-CB 4.1Å; L166-Q175 HydrophobicContact CD2-CB 4.42Å; L166-Q175 HydrophobicContact CD2-CG 4.43Å
167N88.7Confident88.2Confident52 Ų5260.5 Ų60.528%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-74.4128.4167.6-172.53.7000109.4D136 N138 H170 Y171D136-N167 PolarHBondContact O-ND2 3.48Å; N138-N167 PolarHBondContact OD1-ND2 3.32Å; N167-H170 WeakPolarHBondContact OD1-CA 3.38Å; N167-H170 PolarHBondContact OD1-N 2.81Å; N167-Y171 PolarHBondContact OD1-N 3.49Å; N167-Y171 PolarHBondContact OD1-O 2.9Å
168S83.3Confident88.3Confident44 Ų4459 Ų5931%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-144.5128.5173.3-171.60000108.6H170 Y171S168-H170 VanDerWaalsContact C-N 3.26Å; S168-H170 PolarHBondContact O-N 3.31Å; S168-Y171 PolarHBondContact N-O 3.12Å; S168-Y171 PolarHBondContact O-N 3.19Å; S168-Y171 VanDerWaalsContact O-O 3.1Å
169N80.1Confident88.7Confident138 Ų13855.4 Ų55.474%0.73829%0.291SS*.THydrogen-bonded Turntrans54.437.5-179.9-48.8-42.7000114Y171N169-Y171 WeakPolarHBondContact O-CD2 3.39Å; N169-Y171 PolarHBondContact O-N 3.12Å
170H80Confident89.1Confident134 Ų13458 Ų5862%0.6230%0.298SS*.THydrogen-bonded Turntrans63.318-173.1-48-77.8000115.5D136 N167 S168D136-H170 PolarHBondContact O-ND1 2.93Å; N167-H170 WeakPolarHBondContact OD1-CA 3.38Å; N167-H170 PolarHBondContact OD1-N 2.81Å; S168-H170 VanDerWaalsContact C-N 3.26Å; S168-H170 PolarHBondContact O-N 3.31Å
171Y83.4Confident89.5Confident128 Ų12862.3 Ų62.350%0.50231%0.311SS..EExtended strand (participates in β ladder)trans-116.1122169.3-71.9-87.4000110.2N167 S168 N169 H173N167-Y171 PolarHBondContact OD1-N 3.49Å; N167-Y171 PolarHBondContact OD1-O 2.9Å; S168-Y171 PolarHBondContact N-O 3.12Å; S168-Y171 PolarHBondContact O-N 3.19Å; S168-Y171 VanDerWaalsContact O-O 3.1Å; N169-Y171 WeakPolarHBondContact O-CD2 3.39Å; N169-Y171 PolarHBondContact O-N 3.12Å; Y171-H173 PolarHBondContact O-CD2 2.96Å; Y171-H173 VanDerWaalsContact O-CD2 3.3Å; Y171-H173 PolarHBondContact O-N 3.47Å
172T88.5Confident89.6Confident9 Ų957.1 Ų57.16%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-79.9114.9170.6-62.90000110.1W126 V139 L165W126-T172 HydrophobicContact CZ2-CG2 4.03Å; W126-T172 PolarHBondContact NE1-O 3.4Å; V139-T172 HydrophobicContact CB-CG2 4.06Å; V139-T172 HydrophobicContact CG2-CG2 4.01Å; V139-T172 WeakPolarHBondContact CG2-OG1 3.33Å; V139-T172 PolarHBondContact N-OG1 3.3Å; L165-T172 HydrophobicContact CB-CG2 3.83Å; L165-T172 HydrophobicContact CD1-CG2 4.35Å; L165-T172 HydrophobicContact CD2-CG2 4.31Å; L165-T172 HydrophobicContact CG-CG2 4.38Å
173H90.9Very high89.5Confident29 Ų2958 Ų5813%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-104159.8176.6-70.4-88000111.5I117 L165 L166 Y171I117-H173 HydrophobicContact CD1-CB 3.99Å; I117-H173 HydrophobicContact CG1-CB 4.04Å; I117-H173 HydrophobicContact CG2-CB 3.85Å; L165-H173 WeakPolarHBondContact CA-O 3.43Å; L166-H173 PolarHBondContact N-O 3.49Å; L166-H173 PolarHBondContact O-N 2.89Å; Y171-H173 PolarHBondContact O-CD2 2.96Å; Y171-H173 VanDerWaalsContact O-CD2 3.3Å; Y171-H173 PolarHBondContact O-N 3.47Å
174I92.8Very high89.2Confident8 Ų863.6 Ų63.64%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-89.1121.8169.2-57.3174.8000108.1F94 V118 P124 F163 L165 I193 A207F94-I174 HydrophobicContact CE1-CD1 4.26Å; F94-I174 HydrophobicContact CZ-CD1 4.49Å; V118-I174 HydrophobicContact CG2-CG2 4.27Å; V118-I174 PolarHBondContact N-O 2.86Å; P124-I174 HydrophobicContact CG-CD1 4.34Å; P124-I174 HydrophobicContact CG-CG1 4.27Å; F163-I174 HydrophobicContact CB-CG2 4.19Å; F163-I174 HydrophobicContact CD1-CG2 3.87Å; F163-I174 HydrophobicContact CG-CG2 4.33Å; L165-I174 HydrophobicContact CD2-CG1 4.07Å; I174-I193 HydrophobicContact CG2-CD1 4.07Å; I174-A207 HydrophobicContact CD1-CB 3.76Å
175Q94.1Very high89Confident36 Ų3664.3 Ų64.317%0.16832%0.317CS..EExtended strand (participates in β ladder)trans-103.7139.5177.3-175.1-174.432.300110.1G115 F163 T164 L166 L177G115-Q175 PolarHBondContact O-NE2 3.46Å; F163-Q175 CarbonylContact C-O 3.53Å; F163-Q175 VanDerWaalsContact CA-O 3.24Å; F163-Q175 WeakPolarHBondContact CA-O 3.3Å; T164-Q175 HydrophobicContact CG2-CB 3.86Å; T164-Q175 HydrophobicContact CG2-CG 4.4Å; T164-Q175 PolarHBondContact N-O 3.04Å; T164-Q175 PolarHBondContact O-N 3.38Å; L166-Q175 HydrophobicContact CB-CB 4.1Å; L166-Q175 HydrophobicContact CD2-CB 4.42Å; L166-Q175 HydrophobicContact CD2-CG 4.43Å; Q175-L177 HydrophobicContact CG-CD2 4.26Å
176W94.9Very high89Confident1 Ų162.8 Ų62.80%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-92.3126.5176.1169.2-112000110.8L111 P112 G115 Q116 V118 L162 F163 G178 D182 Q183 L186L111-W176 HydrophobicContact CD1-CH2 4.02Å; L111-W176 HydrophobicContact CD1-CZ2 4.29Å; L111-W176 HydrophobicContact CD1-CZ3 4.18Å; L111-W176 HydrophobicContact CD2-CD2 4.26Å; L111-W176 HydrophobicContact CD2-CE3 4.04Å; L111-W176 HydrophobicContact CD2-CZ3 4.33Å; P112-W176 HydrophobicContact CG-CB 3.96Å; P112-W176 HydrophobicContact CG-CG 4.4Å; P112-W176 PolarHBondContact O-NE1 3.38Å; G115-W176 WeakPolarHBondContact CA-O 3.35Å; G115-W176 PolarHBondContact N-O 3.12Å; Q116-W176 PolarHBondContact O-N 3.01Å; V118-W176 HydrophobicContact CG2-CB 3.84Å; L162-W176 HydrophobicContact CB-CE3 4.48Å; L162-W176 HydrophobicContact CB-CZ3 3.91Å; F163-W176 AromaticContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CE1-CD2 4.37Å; F163-W176 AromaticContact CE1-CE3 3.38Å; F163-W176 HydrophobicContact CE1-CE3 3.38Å; F163-W176 AromaticContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE2-CE3 4.19Å; F163-W176 AromaticContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CG-CE3 4.42Å; F163-W176 AromaticContact CZ-CE3 3.56Å; F163-W176 HydrophobicContact CZ-CE3 3.56Å; F163-W176 AromaticContact CZ-CZ3 3.6Å; F163-W176 HydrophobicContact CZ-CZ3 3.6Å; W176-G178 VanDerWaalsContact CZ2-CA 3.45Å; W176-G178 PolarHBondContact NE1-O 3.47Å; W176-D182 HydrophobicContact CH2-CB 3.77Å; W176-D182 HydrophobicContact CZ2-CB 4.03Å; W176-Q183 HydrophobicContact CZ2-CB 3.89Å; W176-L186 HydrophobicContact CH2-CD1 4.04Å; W176-L186 HydrophobicContact CZ3-CD1 4Å
177L93.9Very high89Confident73 Ų7362.4 Ų62.438%0.38231%0.31SS..  trans-117.5-1.6179.8-60.4-177.6000113.1T114 L162 T164 Q175T114-L177 WeakPolarHBondContact CG2-O 3.33Å; L162-L177 PolarHBondContact O-N 2.95Å; T164-L177 HydrophobicContact CG2-CD1 3.68Å; T164-L177 HydrophobicContact CG2-CD2 4.43Å; T164-L177 HydrophobicContact CG2-CG 4.07Å; Q175-L177 HydrophobicContact CG-CD2 4.26Å
178G90.7Very high89.1Confident0 Ų060 Ų600%030%0.296CS..  trans-69.5160.4176.200000114.3T114 L162 W176 D182T114-G178 PolarHBondContact OG1-O 3.38Å; L162-G178 VanDerWaalsContact CD2-CA 3.47Å; L162-G178 PolarHBondContact O-N 2.91Å; W176-G178 VanDerWaalsContact CZ2-CA 3.45Å; W176-G178 PolarHBondContact NE1-O 3.47Å; G178-D182 WeakPolarHBondContact CA-OD2 3.38Å
179N90.8Very high89.5Confident77 Ų7758.5 Ų58.541%0.41229%0.285SS..  trans-89.8176.5177.379.568.5000111.4Q181 D182 Q183N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.03Å; N179-Q181 WeakPolarHBondContact OD1-CA 3.43Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.33Å; N179-Q181 PolarHBondContact OD1-N 3.37Å; N179-D182 VanDerWaalsContact CG-OD2 3.22Å; N179-D182 PolarHBondContact N-OD2 3.36Å; N179-D182 PolarHBondContact ND2-OD1 3.21Å; N179-D182 VanDerWaalsContact ND2-OD1 3.15Å; N179-D182 PolarHBondContact ND2-OD2 3.47Å; N179-D182 PolarHBondContact O-N 2.93Å; N179-D182 PolarHBondContact OD1-N 2.84Å; N179-Q183 WeakPolarHBondContact O-CB 3.29Å; N179-Q183 PolarHBondContact O-N 3.15Å
180K89.7Confident90.2Very high147 Ų14752 Ų5264%0.63925%0.25SC*.Hα-helixtrans-62.7-30.6-177.5-173.9174.5178.9179.20114.2Q183 Q184K180-Q183 WeakPolarHBondContact O-CB 3.48Å; K180-Q184 WeakPolarHBondContact O-CB 3.47Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.04Å; K180-Q184 PolarHBondContact O-N 3.38Å
181Q88.5Confident90.9Very high136 Ų13645.6 Ų45.664%0.63622%0.22SC*.Hα-helixtrans-73.1-38.8174.8-173.6177.8-2500111.2N179 Q184 T185N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.03Å; N179-Q181 WeakPolarHBondContact OD1-CA 3.43Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.33Å; N179-Q181 PolarHBondContact OD1-N 3.37Å; Q181-Q184 PolarHBondContact O-N 3.48Å; Q181-T185 WeakPolarHBondContact O-CB 3.4Å; Q181-T185 PolarHBondContact O-N 3.39Å; Q181-T185 PolarHBondContact O-OG1 3.47Å
182D90Very high91.3Very high26 Ų2640.5 Ų40.514%0.13920%0.201CC..Hα-helixtrans-64.2-43.8173.2-47.1-34.7000110.2L162 W176 G178 N179 Q184 T185 L186L162-D182 HydrophobicContact CD1-CB 4.31Å; L162-D182 HydrophobicContact CD2-CB 4.04Å; L162-D182 WeakPolarHBondContact CD2-OD2 3.01Å; W176-D182 HydrophobicContact CH2-CB 3.77Å; W176-D182 HydrophobicContact CZ2-CB 4.03Å; G178-D182 WeakPolarHBondContact CA-OD2 3.38Å; N179-D182 VanDerWaalsContact CG-OD2 3.22Å; N179-D182 PolarHBondContact N-OD2 3.36Å; N179-D182 PolarHBondContact ND2-OD1 3.21Å; N179-D182 VanDerWaalsContact ND2-OD1 3.15Å; N179-D182 PolarHBondContact ND2-OD2 3.47Å; N179-D182 PolarHBondContact O-N 2.93Å; N179-D182 PolarHBondContact OD1-N 2.84Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 3.1Å; D182-T185 PolarHBondContact O-N 2.89Å; D182-T185 VanDerWaalsContact O-N 3.14Å; D182-L186 PolarHBondContact O-N 3.49Å
183Q90.1Very high91.6Very high31 Ų3140.1 Ų40.115%0.14520%0.199CC..Hα-helixtrans-56.8-45.8174.8-169.9-167.824.400111.2L111 P112 W176 N179 K180 T187L111-Q183 HydrophobicContact CB-CG 3.96Å; L111-Q183 PolarHBondContact O-NE2 3.09Å; P112-Q183 PolarHBondContact O-NE2 3.31Å; W176-Q183 HydrophobicContact CZ2-CB 3.89Å; N179-Q183 WeakPolarHBondContact O-CB 3.29Å; N179-Q183 PolarHBondContact O-N 3.15Å; K180-Q183 WeakPolarHBondContact O-CB 3.48Å; Q183-T187 PolarHBondContact O-N 3.21Å; Q183-T187 PolarHBondContact O-OG1 2.68Å
184Q88.4Confident91.6Very high123 Ų12340 Ų4058%0.57520%0.201SC*.Hα-helixtrans-67-36.1175.6-77.7176.4-25.400112.7K180 Q181 D182 T187K180-Q184 WeakPolarHBondContact O-CB 3.47Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.04Å; K180-Q184 PolarHBondContact O-N 3.38Å; Q181-Q184 PolarHBondContact O-N 3.48Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 3.1Å; Q184-T187 WeakPolarHBondContact O-CB 3.08Å; Q184-T187 PolarHBondContact O-N 3.11Å
185T87.9Confident91.5Very high65 Ų6539.9 Ų39.940%0.39920%0.2SC..Hα-helixtrans-69-35.6179-56.20000111.7Q181 D182 K189Q181-T185 WeakPolarHBondContact O-CB 3.4Å; Q181-T185 PolarHBondContact O-N 3.39Å; Q181-T185 PolarHBondContact O-OG1 3.47Å; D182-T185 PolarHBondContact O-N 2.89Å; D182-T185 VanDerWaalsContact O-N 3.14Å; T185-K189 WeakPolarHBondContact O-CD 3.42Å; T185-K189 WeakPolarHBondContact O-CE 3.31Å
186L91.3Very high91.2Very high2 Ų244.1 Ų44.11%0.0122%0.22CC..Hα-helixtrans-88.6-9.7177.2-65.5-176.8000114.3L111 Y148 L157 F163 W176 D182 G188 K189 V191 V211L111-L186 HydrophobicContact CD1-CB 3.66Å; L111-L186 HydrophobicContact CD1-CD1 4.16Å; Y148-L186 HydrophobicContact CD1-CD2 4.05Å; Y148-L186 HydrophobicContact CG-CD2 4.29Å; L157-L186 HydrophobicContact CD2-CD1 4.13Å; L157-L186 HydrophobicContact CD2-CD2 4.17Å; F163-L186 HydrophobicContact CE2-CD1 4.48Å; F163-L186 HydrophobicContact CZ-CD1 4.49Å; W176-L186 HydrophobicContact CH2-CD1 4.04Å; W176-L186 HydrophobicContact CZ3-CD1 4Å; D182-L186 PolarHBondContact O-N 3.49Å; L186-G188 PolarHBondContact O-N 2.97Å; L186-K189 PolarHBondContact O-N 3.38Å; L186-V191 HydrophobicContact CB-CG2 4.26Å; L186-V191 HydrophobicContact CD1-CG2 4.03Å; L186-V191 HydrophobicContact CD2-CG2 3.94Å; L186-V191 HydrophobicContact CG-CG2 4.3Å; L186-V211 VanDerWaalsContact O-CB 3.24Å; L186-V211 WeakPolarHBondContact O-CB 3.14Å; L186-V211 WeakPolarHBondContact O-CG1 3.11Å
187T91.5Very high90.9Very high52 Ų5244.8 Ų44.832%0.31923%0.225SC..THydrogen-bonded Turntrans-56.7124.5176.4-69.70000110.2Q183 Q184 K189Q183-T187 PolarHBondContact O-N 3.21Å; Q183-T187 PolarHBondContact O-OG1 2.68Å; Q184-T187 WeakPolarHBondContact O-CB 3.08Å; Q184-T187 PolarHBondContact O-N 3.11Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.18Å
188G91Very high90.2Very high0 Ų049.4 Ų49.40%024%0.244CC..THydrogen-bonded Turntrans73.912.1-177.900000116.2R31 L186 V211 I212 D215R31-G188 PolarHBondContact NE-O 2.77Å; R31-G188 PolarHBondContact NH2-O 3.4Å; L186-G188 PolarHBondContact O-N 2.97Å; G188-V211 WeakPolarHBondContact CA-O 3.45Å; G188-V211 PolarHBondContact N-O 3.45Å; G188-I212 PolarHBondContact N-O 2.04Å; G188-D215 VanDerWaalsContact O-CB 3.31Å; G188-D215 WeakPolarHBondContact O-CB 3.39Å
189K92.2Very high89Confident14 Ų1454.4 Ų54.46%0.06127%0.271CS..SBendtrans-103.8160.7176.5-57.4-163.5-176.1-66.90112.6R31 Y148 T185 L186 T187 V211 D215R31-K189 PolarHBondContact NH1-O 2.66Å; R31-K189 VanDerWaalsContact NH2-C 3.33Å; Y148-K189 HydrophobicContact CD2-CD 3.53Å; Y148-K189 HydrophobicContact CE2-CD 3.93Å; Y148-K189 HydrophobicContact CG-CD 4.02Å; T185-K189 WeakPolarHBondContact O-CD 3.42Å; T185-K189 WeakPolarHBondContact O-CE 3.31Å; L186-K189 PolarHBondContact O-N 3.38Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.18Å; K189-V211 PolarHBondContact O-N 3.22Å; K189-D215 IonicContact NZ-OD1 3.97Å; K189-D215 PolarHBondContact NZ-OD1 3.22Å; K189-D215 IonicContact NZ-OD2 2.8Å
190I93.7Very high87.6Confident0 Ų052.4 Ų52.40%027%0.266CS..EExtended strand (participates in β ladder)trans-83.5131.2162.5-58.9-174.3000104.8R31 A74 L76 I86 L106 Y148 L149 W154 V208 F209 R210R31-I190 VanDerWaalsContact NH2-N 3.19Å; A74-I190 HydrophobicContact CB-CD1 4.49Å; L76-I190 HydrophobicContact CD2-CD1 3.52Å; I86-I190 HydrophobicContact CD1-CD1 4.44Å; I86-I190 HydrophobicContact CD1-CG2 4.42Å; L106-I190 HydrophobicContact CD2-CD1 4.26Å; Y148-I190 CarbonylContact C-O 3.14Å; Y148-I190 WeakPolarHBondContact CA-O 3.47Å; Y148-I190 WeakPolarHBondContact CB-O 3.45Å; L149-I190 HydrophobicContact CB-CB 3.87Å; L149-I190 HydrophobicContact CB-CG1 4.39Å; L149-I190 HydrophobicContact CD2-CD1 3.78Å; L149-I190 HydrophobicContact CD2-CG1 4.45Å; L149-I190 PolarHBondContact N-O 3.19Å; W154-I190 HydrophobicContact CH2-CB 4.41Å; W154-I190 HydrophobicContact CH2-CG2 3.77Å; W154-I190 HydrophobicContact CZ3-CG2 4.2Å; I190-V208 HydrophobicContact CG2-CG1 3.52Å; I190-F209 WeakPolarHBondContact CA-O 3.41Å; I190-R210 HydrophobicContact CG1-CG 4.42Å
191V94.3Very high86.2Confident0 Ų053.9 Ų53.90%028%0.281CS..EExtended strand (participates in β ladder)trans-111.1134.5172.5179.50000108.3I146 G147 F163 L186 I193 V208 F209 V211I146-V191 HydrophobicContact CG2-CG1 3.85Å; G147-V191 WeakPolarHBondContact O-CA 3.44Å; F163-V191 HydrophobicContact CE2-CG1 3.84Å; F163-V191 HydrophobicContact CZ-CG1 4.16Å; L186-V191 HydrophobicContact CB-CG2 4.26Å; L186-V191 HydrophobicContact CD1-CG2 4.03Å; L186-V191 HydrophobicContact CD2-CG2 3.94Å; L186-V191 HydrophobicContact CG-CG2 4.3Å; V191-I193 HydrophobicContact CG1-CG1 4.38Å; V191-V208 WeakPolarHBondContact O-CA 3.2Å; V191-F209 HydrophobicContact CB-CD2 4.05Å; V191-F209 HydrophobicContact CB-CE2 3.6Å; V191-F209 HydrophobicContact CB-CZ 4.07Å; V191-F209 HydrophobicContact CG1-CE2 3.96Å; V191-F209 HydrophobicContact CG1-CZ 3.94Å; V191-F209 HydrophobicContact CG2-CE2 4.16Å; V191-F209 PolarHBondContact N-O 3.4Å; V191-F209 PolarHBondContact O-N 2.87Å; V191-V211 HydrophobicContact CG2-CG2 3.78Å
192E93.1Very high84.7Confident21 Ų2149.1 Ų49.110%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-113.6135.1171.9170.2175.8-122.600108.4C89 I146 G147 W154 C206 V208C89-E192 PolarHBondContact SG-OE1 2.83Å; I146-E192 CarbonylContact C-O 3.54Å; I146-E192 VanDerWaalsContact CA-O 3.32Å; I146-E192 WeakPolarHBondContact CA-O 3.38Å; I146-E192 WeakPolarHBondContact CG2-O 3.06Å; G147-E192 PolarHBondContact N-O 3.39Å; G147-E192 PolarHBondContact O-N 3.04Å; W154-E192 HydrophobicContact CE3-CB 4.06Å; W154-E192 HydrophobicContact CH2-CB 3.78Å; W154-E192 HydrophobicContact CZ3-CB 3.48Å; W154-E192 VanDerWaalsContact CZ3-CB 3.48Å; E192-C206 HydrophobicContact CG-CB 4.26Å; E192-V208 HydrophobicContact CB-CG2 4.29Å; E192-V208 HydrophobicContact CG-CG2 4.22Å
193I93.3Very high83.5Confident2 Ų251.6 Ų51.61%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-121.2110.1172-57.9175.1000106.7L143 I146 F163 I174 V191 L195 C206 A207 F209L143-I193 HydrophobicContact CD1-CG2 4.16Å; L143-I193 HydrophobicContact CD2-CG2 3.51Å; L143-I193 HydrophobicContact CG-CG2 3.51Å; I146-I193 HydrophobicContact CG2-CG1 4.32Å; F163-I193 HydrophobicContact CB-CD1 3.88Å; F163-I193 HydrophobicContact CD1-CD1 3.98Å; F163-I193 HydrophobicContact CD2-CD1 3.5Å; F163-I193 VanDerWaalsContact CD2-CD1 3.5Å; F163-I193 HydrophobicContact CD2-CG1 3.95Å; F163-I193 HydrophobicContact CE1-CD1 4.4Å; F163-I193 HydrophobicContact CE2-CD1 4Å; F163-I193 HydrophobicContact CE2-CG1 4.3Å; F163-I193 HydrophobicContact CG-CD1 3.52Å; F163-I193 HydrophobicContact CG-CG1 4.44Å; F163-I193 HydrophobicContact CZ-CD1 4.43Å; I174-I193 HydrophobicContact CG2-CD1 4.07Å; V191-I193 HydrophobicContact CG1-CG1 4.38Å; I193-L195 HydrophobicContact CG2-CD2 3.84Å; I193-L195 HydrophobicContact CG2-CG 4.45Å; I193-C206 CarbonylContact O-C 3.54Å; I193-C206 VanDerWaalsContact O-CA 3.26Å; I193-C206 WeakPolarHBondContact O-CA 3.5Å; I193-A207 HydrophobicContact CB-CB 4.35Å; I193-A207 PolarHBondContact N-O 2.82Å; I193-A207 PolarHBondContact O-N 2.86Å; I193-F209 HydrophobicContact CD1-CE1 3.75Å; I193-F209 HydrophobicContact CD1-CZ 3.94Å; I193-F209 HydrophobicContact CG1-CE1 4.35Å
194S91.6Very high82.9Confident27 Ų2755.1 Ų55.119%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-83.1132176.4-48.30000109.9S144 S145S144-S194 PolarHBondContact N-O 2.9Å; S145-S194 PolarHBondContact O-N 3.48Å; S145-S194 VanDerWaalsContact OG-CB 3.32Å; S145-S194 WeakPolarHBondContact OG-CB 3.44Å; S145-S194 PolarHBondContact OG-OG 3.35Å
195L90.4Very high82.9Confident4 Ų449.5 Ų49.52%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-120.5127.4-172.3-60.1177.4000110L92 W126 A142 L143 I193 L205 A207L92-L195 HydrophobicContact CD2-CD1 4.35Å; W126-L195 HydrophobicContact CH2-CD1 3.77Å; W126-L195 HydrophobicContact CZ3-CD1 3.66Å; A142-L195 CarbonylContact O-C 3.6Å; A142-L195 WeakPolarHBondContact O-CA 3.41Å; L143-L195 HydrophobicContact CD1-CD2 3.66Å; L143-L195 HydrophobicContact CG-CD2 3.88Å; I193-L195 HydrophobicContact CG2-CD2 3.84Å; I193-L195 HydrophobicContact CG2-CG 4.45Å; L195-L205 HydrophobicContact CB-CB 4.38Å; L195-L205 HydrophobicContact CB-CD2 4.27Å; L195-L205 HydrophobicContact CB-CG 4.46Å; L195-L205 HydrophobicContact CD1-CD2 4.17Å; L195-L205 PolarHBondContact N-O 3.48Å; L195-A207 HydrophobicContact CD1-CB 4.41Å
196Q88.9Confident83.1Confident125 Ų12546.5 Ų46.558%0.58426%0.255SS*.EExtended strand (participates in β ladder)trans-102.2116.8175.6-171.7172.618.800109.3C141 A142C141-Q196 CarbonylContact C-O 3.58Å; C141-Q196 VanDerWaalsContact CA-O 3.24Å; C141-Q196 WeakPolarHBondContact CA-O 3.24Å; A142-Q196 PolarHBondContact N-O 3.47Å; A142-Q196 PolarHBondContact O-N 3.35Å
197C87.9Confident83.2Confident16 Ų1646.4 Ų46.411%0.10826%0.255CS..EExtended strand (participates in β ladder)trans-108.7143.2-175.4-59.70000112P140 C141 A200 L205P140-C197 CarbonylContact O-C 3.55Å; P140-C197 WeakPolarHBondContact O-CA 3.43Å; C141-C197 HydrophobicContact CB-CB 4Å; C141-C197 WeakPolarHBondContact CB-SG 3.49Å; C141-C197 WeakPolarHBondContact SG-CB 3.29Å; C141-C197 CovalentContact SG-SG 2.03Å; C141-C197 PolarHBondContact SG-SG 3.01Å; C197-A200 HydrophobicContact CB-CB 3.81Å; C197-L205 VanDerWaalsContact SG-CD2 3.58Å
198Q78.2Confident83.3Confident169 Ų16944 Ų4479%0.7924%0.239SC*.THydrogen-bonded Turntrans-76.1-28.3-171-167.2160.8-11.500114.1P140P140-Q198 HydrophobicContact CB-CB 4.38Å; P140-Q198 PolarHBondContact O-N 2.98Å
199D66.4Low83.5Confident106 Ų10644 Ų4457%0.56724%0.24SC*.THydrogen-bonded Turntrans-119.326.8-178.2-67.6-74.1000113.6
200A60.7Low83.6Confident35 Ų3543.4 Ų43.429%0.28924%0.237SC..  trans-96.6121.8176.800000111.6C197 S202C197-A200 HydrophobicContact CB-CB 3.81Å; A200-S202 WeakPolarHBondContact CB-O 3.21Å; A200-S202 PolarHBondContact O-N 3.21Å
201D60Low83.6Confident178 Ų17843.5 Ų43.595%0.95224%0.238SC*.SBendtrans-59.7-7174.7-60.4-56.3000114.3
202S58.5Low83.6Confident35 Ų3546 Ų4625%0.24525%0.25CS..SBendtrans-138.2120.7176.159.20000108.7R90 A200 D204R90-S202 PolarHBondContact NH1-OG 3.4Å; R90-S202 VanDerWaalsContact NH1-OG 3.08Å; A200-S202 WeakPolarHBondContact CB-O 3.21Å; A200-S202 PolarHBondContact O-N 3.21Å; S202-D204 VanDerWaalsContact C-N 3.28Å; S202-D204 PolarHBondContact O-N 2.93Å
203P64.4Low83.5Confident78 Ų7845.9 Ų45.951%0.50626%0.255SS..SBendtrans-71.9-19.2-172.128.3-34.8000114.2L205P203-L205 PolarHBondContact O-N 2.95Å
204D76.9Confident83.3Confident105 Ų10551.9 Ų51.956%0.56128%0.278SS*.  trans-95.265.2-166.3-48.1-54.1000112.4C89 R90 S202C89-D204 HydrophobicContact CB-CB 4.18Å; C89-D204 WeakPolarHBondContact CB-O 3.34Å; R90-D204 VanDerWaalsContact CB-O 3.32Å; R90-D204 WeakPolarHBondContact CB-O 3.3Å; R90-D204 PolarHBondContact N-O 2.92Å; S202-D204 VanDerWaalsContact C-N 3.28Å; S202-D204 PolarHBondContact O-N 2.93Å
205L89.1Confident82.9Confident5 Ų551 Ų513%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-85.9138169.3-17773.8000109.8R90 L92 W126 A129 V131 L195 C197 P203R90-L205 CarbonylContact O-C 3.57Å; R90-L205 WeakPolarHBondContact O-CA 3.41Å; R90-L205 WeakPolarHBondContact O-CD1 3.26Å; L92-L205 HydrophobicContact CB-CD1 4.46Å; W126-L205 HydrophobicContact CZ3-CD2 4.36Å; A129-L205 HydrophobicContact CB-CD1 3.76Å; V131-L205 HydrophobicContact CG2-CD2 3.95Å; L195-L205 HydrophobicContact CB-CB 4.38Å; L195-L205 HydrophobicContact CB-CD2 4.27Å; L195-L205 HydrophobicContact CB-CG 4.46Å; L195-L205 HydrophobicContact CD1-CD2 4.17Å; L195-L205 PolarHBondContact N-O 3.48Å; C197-L205 VanDerWaalsContact SG-CD2 3.58Å; P203-L205 PolarHBondContact O-N 2.95Å
206C92.3Very high81.8Confident3 Ų355.3 Ų55.32%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-135.2141.3174.6-53.50000113.4C89 R90 M91 L92 E192 I193 V208C89-C206 HydrophobicContact CB-CB 4.29Å; C89-C206 WeakPolarHBondContact CB-SG 3.48Å; C89-C206 WeakPolarHBondContact SG-CB 3.42Å; C89-C206 CovalentContact SG-SG 2.03Å; C89-C206 PolarHBondContact SG-SG 2.74Å; R90-C206 PolarHBondContact O-N 3.1Å; M91-C206 CarbonylContact C-O 3.12Å; M91-C206 WeakPolarHBondContact CA-O 3.41Å; L92-C206 WeakPolarHBondContact CB-O 3.49Å; L92-C206 PolarHBondContact N-O 2.84Å; E192-C206 HydrophobicContact CG-CB 4.26Å; I193-C206 CarbonylContact O-C 3.54Å; I193-C206 VanDerWaalsContact O-CA 3.26Å; I193-C206 WeakPolarHBondContact O-CA 3.5Å; C206-V208 HydrophobicContact CB-CG2 4.04Å
207A92.9Very high80.3Confident0 Ų053.3 Ų53.30%029%0.288CS..EExtended strand (participates in β ladder)trans-95.3120.8163.800000109.3L92 F94 I174 I193 L195L92-A207 HydrophobicContact CD2-CB 4.09Å; F94-A207 HydrophobicContact CZ-CB 4.06Å; I174-A207 HydrophobicContact CD1-CB 3.76Å; I193-A207 HydrophobicContact CB-CB 4.35Å; I193-A207 PolarHBondContact N-O 2.82Å; I193-A207 PolarHBondContact O-N 2.86Å; L195-A207 HydrophobicContact CD1-CB 4.41Å
208V94.2Very high78.4Confident0 Ų056.9 Ų56.90%031%0.309CS..EExtended strand (participates in β ladder)trans-126.2131.5-175.3-171.50000111I86 M91 L106 W154 I190 V191 E192 C206I86-V208 HydrophobicContact CD1-CG1 3.74Å; M91-V208 HydrophobicContact CG-CG2 4.16Å; M91-V208 HydrophobicContact SD-CB 4.39Å; M91-V208 HydrophobicContact SD-CG2 4.27Å; L106-V208 HydrophobicContact CD2-CG1 4.47Å; L106-V208 HydrophobicContact CG-CG1 4.22Å; W154-V208 HydrophobicContact CH2-CG1 4.44Å; I190-V208 HydrophobicContact CG2-CG1 3.52Å; V191-V208 WeakPolarHBondContact O-CA 3.2Å; E192-V208 HydrophobicContact CB-CG2 4.29Å; E192-V208 HydrophobicContact CG-CG2 4.22Å; C206-V208 HydrophobicContact CB-CG2 4.04Å
209F94.2Very high76.5Confident1 Ų154.6 Ų54.60%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-147.7157.6-178.948.6-100.8000113.6F94 P107 V109 L111 F163 I190 V191 I193 V211F94-F209 HydrophobicContact CZ-CD1 4.24Å; P107-F209 HydrophobicContact CG-CB 4.13Å; V109-F209 HydrophobicContact CG1-CB 4.08Å; V109-F209 HydrophobicContact CG1-CG 4.48Å; V109-F209 HydrophobicContact CG2-CB 3.96Å; V109-F209 HydrophobicContact CG2-CD2 3.31Å; V109-F209 HydrophobicContact CG2-CE2 3.94Å; V109-F209 HydrophobicContact CG2-CG 3.77Å; L111-F209 HydrophobicContact CD2-CE2 4.38Å; F163-F209 HydrophobicContact CE1-CE2 4.41Å; F163-F209 AromaticContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE2-CZ 4.32Å; F163-F209 HydrophobicContact CZ-CE2 4.11Å; F163-F209 AromaticContact CZ-CZ 3.65Å; F163-F209 HydrophobicContact CZ-CZ 3.65Å; I190-F209 WeakPolarHBondContact CA-O 3.41Å; V191-F209 HydrophobicContact CB-CD2 4.05Å; V191-F209 HydrophobicContact CB-CE2 3.6Å; V191-F209 HydrophobicContact CB-CZ 4.07Å; V191-F209 HydrophobicContact CG1-CE2 3.96Å; V191-F209 HydrophobicContact CG1-CZ 3.94Å; V191-F209 HydrophobicContact CG2-CE2 4.16Å; V191-F209 PolarHBondContact N-O 3.4Å; V191-F209 PolarHBondContact O-N 2.87Å; I193-F209 HydrophobicContact CD1-CE1 3.75Å; I193-F209 HydrophobicContact CD1-CZ 3.94Å; I193-F209 HydrophobicContact CG1-CE1 4.35Å; F209-V211 HydrophobicContact CD2-CG2 4.19Å; F209-V211 HydrophobicContact CE2-CG2 4.17Å
210R94.5Very high75Confident2 Ų253.5 Ų53.51%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-95119.3174.5-67-178.5-77.7145.62.6109.4S35 D37 P73 A74 L106 P107 T108 V109 I190S35-R210 PolarHBondContact O-NH1 3.47Å; D37-R210 WeakPolarHBondContact OD1-CD 2.89Å; D37-R210 IonicContact OD1-CZ 3.9Å; D37-R210 IonicContact OD1-NE 2.86Å; D37-R210 IonicContact OD1-NH1 3.76Å; D37-R210 PolarHBondContact OD1-NH1 3.23Å; D37-R210 WeakPolarHBondContact OD2-CD 3.28Å; P73-R210 PolarHBondContact O-NH1 3.33Å; A74-R210 HydrophobicContact CB-CG 4.3Å; L106-R210 PolarHBondContact O-NE 3.13Å; L106-R210 PolarHBondContact O-NH2 3.48Å; P107-R210 PolarHBondContact O-N 3.15Å; T108-R210 CarbonylContact C-O 3.6Å; T108-R210 WeakPolarHBondContact CA-O 3.43Å; T108-R210 PolarHBondContact OG1-NH1 2.84Å; T108-R210 PolarHBondContact OG1-NH2 2.89Å; V109-R210 PolarHBondContact N-O 2.85Å; I190-R210 HydrophobicContact CG1-CG 4.42Å
211V94.5Very high73.8Confident2 Ų254.6 Ų54.61%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-77.9131.2173.7-175.60000109.5V109 L111 L186 G188 K189 V191 F209V109-V211 WeakPolarHBondContact O-CA 3.44Å; L111-V211 HydrophobicContact CD1-CG1 3.96Å; L111-V211 HydrophobicContact CD1-CG2 4.04Å; L111-V211 HydrophobicContact CD2-CG2 4.49Å; L111-V211 HydrophobicContact CG-CG1 3.86Å; L111-V211 HydrophobicContact CG-CG2 4.06Å; L186-V211 VanDerWaalsContact O-CB 3.24Å; L186-V211 WeakPolarHBondContact O-CB 3.14Å; L186-V211 WeakPolarHBondContact O-CG1 3.11Å; G188-V211 WeakPolarHBondContact CA-O 3.45Å; G188-V211 PolarHBondContact N-O 3.45Å; K189-V211 PolarHBondContact O-N 3.22Å; V191-V211 HydrophobicContact CG2-CG2 3.78Å; F209-V211 HydrophobicContact CD2-CG2 4.19Å; F209-V211 HydrophobicContact CE2-CG2 4.17Å
212I93.3Very high72.7Confident51 Ų5149.3 Ų49.326%0.26229%0.287SS..SBendtrans-54.4143.5174.2-67.1173.8000110.4F33 T108 V109 F110 G188F33-I212 HydrophobicContact CB-CD1 4.04Å; F33-I212 HydrophobicContact CD2-CD1 4.07Å; F33-I212 HydrophobicContact CG-CD1 4.41Å; T108-I212 HydrophobicContact CG2-CD1 4.45Å; T108-I212 HydrophobicContact CG2-CG1 3.52Å; V109-I212 WeakPolarHBondContact O-CG1 3.33Å; V109-I212 PolarHBondContact O-N 3.15Å; F110-I212 HydrophobicContact CB-CD1 4.17Å; G188-I212 PolarHBondContact N-O 2.04Å
213G91.6Very high71.8Confident20 Ų2049.6 Ų49.621%0.20629%0.292CS..EExtended strand (participates in β ladder)trans134.1-170.4171.700000113R31R31-G213 PolarHBondContact N-O 3.09Å; R31-G213 PolarHBondContact O-N 3.44Å; R31-G213 VanDerWaalsContact O-N 3.13Å
214R88.3Confident70.7Confident128 Ų12848.7 Ų48.748%0.48329%0.287SS..EExtended strand (participates in β ladder)trans-97.7135.2168.8-48.9-167.4-170.8124.93.9107.8I29 T30 V216I29-R214 CarbonylContact O-C 3.57Å; T30-R214 HydrophobicContact CG2-CB 3.99Å; T30-R214 HydrophobicContact CG2-CG 3.64Å; R214-V216 HydrophobicContact CB-CG2 4.29Å; R214-V216 PolarHBondContact O-N 3.08Å
215D83.2Confident69.1Low9 Ų947.2 Ų47.25%0.04828%0.279CS..  trans-70.683.9163.5-153.9-15.4000107.4I29 Q77 G188 K189 E217I29-D215 HydrophobicContact CB-CB 4.34Å; I29-D215 PolarHBondContact O-N 3.4Å; Q77-D215 PolarHBondContact NE2-OD2 3.01Å; G188-D215 VanDerWaalsContact O-CB 3.31Å; G188-D215 WeakPolarHBondContact O-CB 3.39Å; K189-D215 IonicContact NZ-OD1 3.97Å; K189-D215 PolarHBondContact NZ-OD1 3.22Å; K189-D215 IonicContact NZ-OD2 2.8Å; D215-E217 VanDerWaalsContact C-N 3.29Å; D215-E217 PolarHBondContact O-N 3.02Å; D215-E217 VanDerWaalsContact O-N 3.1Å
216V67Low67Low93 Ų9351.9 Ų51.956%0.56430%0.301SS*.  trans-71.299.7162.5-175.40000104.3R214 V218R214-V216 HydrophobicContact CB-CG2 4.29Å; R214-V216 PolarHBondContact O-N 3.08Å; V216-V218 HydrophobicContact CG1-CG2 4.27Å; V216-V218 PolarHBondContact O-N 3.32Å
217E57.8Low64.8Low83 Ų8355.7 Ų55.739%0.38832%0.321SS..  trans-5787.4146.6-74.2-170.5156.700106.1H151 D215H151-E217 IonicContact CE1-OE1 2.89Å; H151-E217 PolarHBondContact CE1-OE1 2.9Å; H151-E217 IonicContact ND1-OE1 3.69Å; H151-E217 PolarHBondContact ND1-OE1 2.92Å; D215-E217 VanDerWaalsContact C-N 3.29Å; D215-E217 PolarHBondContact O-N 3.02Å; D215-E217 VanDerWaalsContact O-N 3.1Å
218V47.8Very low62.7Low91 Ų9163.2 Ų63.255%0.55235%0.349SS*.  trans-46.6151150.9-174.20000105V216 E220V216-V218 HydrophobicContact CG1-CG2 4.27Å; V216-V218 PolarHBondContact O-N 3.32Å; V218-E220 PolarHBondContact O-N 3.39Å
219P38.4Very low60.5Low122 Ų12268.1 Ų68.179%0.79237%0.372SS*.  trans-64.760.7151.630.9-34.8000109S221P219-S221 PolarHBondContact O-N 3.21Å
220E35.6Very low58.3Low82 Ų8270.6 Ų70.638%0.38339%0.386SS..  trans-47.5124.9158.1-178.9-174.9158.400103.9Y148 V218 A222Y148-E220 PolarHBondContact OH-OE1 3.39Å; Y148-E220 PolarHBondContact OH-OE2 3.47Å; V218-E220 PolarHBondContact O-N 3.39Å; E220-A222 PolarHBondContact O-N 3.17Å
221S35.6Very low56.2Low58 Ų5872.7 Ų72.741%0.40640%0.4SS..  trans-65.8108.5-166.5-55.70000107.3P219 A223 S224P219-S221 PolarHBondContact O-N 3.21Å; S221-A223 WeakPolarHBondContact CB-O 3.21Å; S221-A223 CarbonylContact O-C 3.52Å; S221-A223 PolarHBondContact O-N 3.4Å; S221-S224 VanDerWaalsContact CB-N 3.28Å; S221-S224 PolarHBondContact O-N 3.03Å; S221-S224 PolarHBondContact O-OG 2.98Å; S221-S224 VanDerWaalsContact O-OG 3.13Å
222A36.9Very low54.4Low67 Ų6778.4 Ų78.455%0.55443%0.427SS*.THydrogen-bonded Turntrans-67.548.9156.700000109E220 Q226E220-A222 PolarHBondContact O-N 3.17Å; A222-Q226 HydrophobicContact CB-CB 4.39Å
223A38.6Very low52.6Low42 Ų4282.4 Ų82.435%0.34744%0.439SS..THydrogen-bonded Turntrans165.811.1-137.600000111.7S221 N227S221-A223 WeakPolarHBondContact CB-O 3.21Å; S221-A223 CarbonylContact O-C 3.52Å; S221-A223 PolarHBondContact O-N 3.4Å; A223-N227 VanDerWaalsContact C-CG 3.42Å; A223-N227 WeakPolarHBondContact CA-ND2 3.5Å; A223-N227 WeakPolarHBondContact O-CB 3.32Å; A223-N227 VanDerWaalsContact O-CG 3.25Å; A223-N227 PolarHBondContact O-ND2 3.17Å
224S41.6Very low51.1Low58 Ų5885.2 Ų85.241%0.40645%0.452SS..THydrogen-bonded Turntrans-123.9-66.7158.354.60000108.4S221 N227 R228S221-S224 VanDerWaalsContact CB-N 3.28Å; S221-S224 PolarHBondContact O-N 3.03Å; S221-S224 PolarHBondContact O-OG 2.98Å; S221-S224 VanDerWaalsContact O-OG 3.13Å; S224-N227 CarbonylContact O-C 3.43Å; S224-N227 VanDerWaalsContact O-C 3.3Å; S224-N227 PolarHBondContact O-N 3.45Å; S224-R228 PolarHBondContact O-N 3.29Å
225N44.8Very low50Low75 Ų7583.8 Ų83.840%0.40145%0.454SS..THydrogen-bonded Turntrans-74.3-44.7169.8-75.1-21.7000111N227 R228 E229N225-N227 VanDerWaalsContact C-N 3.28Å; N225-N227 PolarHBondContact O-N 3.3Å; N225-R228 WeakPolarHBondContact O-CA 3.44Å; N225-R228 WeakPolarHBondContact O-CB 3.27Å; N225-R228 PolarHBondContact O-N 2.96Å; N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.08Å
226Q44.8Very low49.2Very low103 Ų10389.9 Ų89.948%0.48148%0.482SS..Hα-helixtrans-69.2-20.4166.1-115.9-171.76200112.8A222 R228 N230A222-Q226 HydrophobicContact CB-CB 4.39Å; Q226-R228 VanDerWaalsContact C-N 3.31Å; Q226-N230 VanDerWaalsContact O-CA 3.28Å; Q226-N230 WeakPolarHBondContact O-CA 3.25Å; Q226-N230 WeakPolarHBondContact O-CB 3.44Å; Q226-N230 PolarHBondContact O-N 3.36Å; Q226-N230 PolarHBondContact O-ND2 3.3Å; Q226-N230 PolarHBondContact OE1-ND2 3.48Å
227N45.1Very low49.5Very low83 Ų8390.6 Ų90.644%0.44448%0.482SS..Hα-helixtrans-82.5-4162.6-88.8-14000112.8A223 S224 N225 S231A223-N227 VanDerWaalsContact C-CG 3.42Å; A223-N227 WeakPolarHBondContact CA-ND2 3.5Å; A223-N227 WeakPolarHBondContact O-CB 3.32Å; A223-N227 VanDerWaalsContact O-CG 3.25Å; A223-N227 PolarHBondContact O-ND2 3.17Å; S224-N227 CarbonylContact O-C 3.43Å; S224-N227 VanDerWaalsContact O-C 3.3Å; S224-N227 PolarHBondContact O-N 3.45Å; N225-N227 VanDerWaalsContact C-N 3.28Å; N225-N227 PolarHBondContact O-N 3.3Å; N227-S231 VanDerWaalsContact O-CA 3.3Å; N227-S231 WeakPolarHBondContact O-CA 3.34Å; N227-S231 WeakPolarHBondContact O-CB 3.37Å; N227-S231 PolarHBondContact O-N 2.78Å
228R48.1Very low50.4Low157 Ų15788.7 Ų88.759%0.59248%0.484SS*.Hα-helixtrans-84.2-55.5171.5-151.5168178.9157.2-0.5108.5S224 N225 Q226 S231 E232S224-R228 PolarHBondContact O-N 3.29Å; N225-R228 WeakPolarHBondContact O-CA 3.44Å; N225-R228 WeakPolarHBondContact O-CB 3.27Å; N225-R228 PolarHBondContact O-N 2.96Å; Q226-R228 VanDerWaalsContact C-N 3.31Å; R228-S231 PolarHBondContact O-N 3.3Å; R228-E232 WeakPolarHBondContact O-CB 3.36Å; R228-E232 WeakPolarHBondContact O-CG 3.44Å; R228-E232 PolarHBondContact O-N 2.95Å
229E48.4Very low52Low104 Ų10489.6 Ų89.649%0.48649%0.486SS..Hα-helixtrans-61.8-45.9169.7-76.5-157.398.900112.9N225 E232 R233N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.08Å; E229-E232 PolarHBondContact O-N 3.11Å; E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.43Å; E229-R233 PolarHBondContact O-N 3.33Å; E229-R233 IonicContact OE1-CZ 2.67Å; E229-R233 IonicContact OE1-NH2 3.64Å; E229-R233 PolarHBondContact OE1-NH2 3.32Å
230N49Very low54.1Low53 Ų5387.6 Ų87.628%0.28347%0.471SS..Hα-helixtrans-76.4-23.5176.3-59-38.3000112.7Q226 T234Q226-N230 VanDerWaalsContact O-CA 3.28Å; Q226-N230 WeakPolarHBondContact O-CA 3.25Å; Q226-N230 WeakPolarHBondContact O-CB 3.44Å; Q226-N230 PolarHBondContact O-N 3.36Å; Q226-N230 PolarHBondContact O-ND2 3.3Å; Q226-N230 PolarHBondContact OE1-ND2 3.48Å; N230-T234 WeakPolarHBondContact O-CA 3.23Å; N230-T234 WeakPolarHBondContact O-CB 3.25Å; N230-T234 WeakPolarHBondContact O-CG2 3.47Å; N230-T234 PolarHBondContact O-N 3.1Å; N230-T234 PolarHBondContact O-OG1 3.43Å
231S49.9Very low56.5Low45 Ų4587.7 Ų87.732%0.31548%0.477SS..Hα-helixtrans-70.9-42.8168.1-175.20000109.7N227 R228 R233 T234 N235N227-S231 VanDerWaalsContact O-CA 3.3Å; N227-S231 WeakPolarHBondContact O-CA 3.34Å; N227-S231 WeakPolarHBondContact O-CB 3.37Å; N227-S231 PolarHBondContact O-N 2.78Å; R228-S231 PolarHBondContact O-N 3.3Å; S231-R233 PolarHBondContact O-N 2.76Å; S231-T234 PolarHBondContact O-N 2.98Å; S231-N235 WeakPolarHBondContact O-CA 3.45Å; S231-N235 WeakPolarHBondContact O-CB 3.19Å; S231-N235 PolarHBondContact O-N 2.9Å; S231-N235 PolarHBondContact O-ND2 2.73Å; S231-N235 VanDerWaalsContact O-ND2 3.08Å; S231-N235 PolarHBondContact O-OD1 2.89Å; S231-N235 PolarHBondContact OG-ND2 3.23Å
232E55.9Low58.9Low122 Ų12287 Ų8757%0.5748%0.479SS*.Hα-helixtrans-60.8-45.1175.6-71.8172.4-164.600111.4R228 E229 Q236R228-E232 WeakPolarHBondContact O-CB 3.36Å; R228-E232 WeakPolarHBondContact O-CG 3.44Å; R228-E232 PolarHBondContact O-N 2.95Å; E229-E232 PolarHBondContact O-N 3.11Å; E232-Q236 WeakPolarHBondContact O-CB 3.39Å; E232-Q236 WeakPolarHBondContact O-CG 3.43Å; E232-Q236 PolarHBondContact O-N 2.92Å
233R56.7Low61.3Low136 Ų13688.6 Ų88.651%0.51348%0.477SS..Hα-helixtrans-70.8-34.8175.2-67.6177.8-171169.112114E229 S231 L237E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.43Å; E229-R233 PolarHBondContact O-N 3.33Å; E229-R233 IonicContact OE1-CZ 2.67Å; E229-R233 IonicContact OE1-NH2 3.64Å; E229-R233 PolarHBondContact OE1-NH2 3.32Å; S231-R233 PolarHBondContact O-N 2.76Å; R233-L237 VanDerWaalsContact O-CB 3.27Å; R233-L237 WeakPolarHBondContact O-CB 3.31Å; R233-L237 WeakPolarHBondContact O-CG 3.4Å; R233-L237 PolarHBondContact O-N 3.14Å
234T60.3Low63.7Low78 Ų7890.3 Ų90.348%0.47948%0.483SS..Hα-helixtrans-83.9-19.8177.1620000113.5N230 S231 G238N230-T234 WeakPolarHBondContact O-CA 3.23Å; N230-T234 WeakPolarHBondContact O-CB 3.25Å; N230-T234 WeakPolarHBondContact O-CG2 3.47Å; N230-T234 PolarHBondContact O-N 3.1Å; N230-T234 PolarHBondContact O-OG1 3.43Å; S231-T234 PolarHBondContact O-N 2.98Å; T234-G238 WeakPolarHBondContact O-CA 3.45Å; T234-G238 PolarHBondContact O-N 3.41Å
235N64.4Low66.1Low99 Ų9990.7 Ų90.753%0.52949%0.485SS..Hα-helixtrans-72.6-42.5166.3-66.8-20000109.2S231 L239S231-N235 WeakPolarHBondContact O-CA 3.45Å; S231-N235 WeakPolarHBondContact O-CB 3.19Å; S231-N235 PolarHBondContact O-N 2.9Å; S231-N235 PolarHBondContact O-ND2 2.73Å; S231-N235 VanDerWaalsContact O-ND2 3.08Å; S231-N235 PolarHBondContact O-OD1 2.89Å; S231-N235 PolarHBondContact OG-ND2 3.23Å; N235-L239 WeakPolarHBondContact O-CB 3.42Å; N235-L239 PolarHBondContact O-N 3.36Å
236Q67.2Low68.3Low137 Ų13788.9 Ų88.964%0.6448%0.484SS*.Hα-helixtrans-64.7-51.5172.1-72.9179.83.300112.1E232 G238 L239 V240E232-Q236 WeakPolarHBondContact O-CB 3.39Å; E232-Q236 WeakPolarHBondContact O-CG 3.43Å; E232-Q236 PolarHBondContact O-N 2.92Å; Q236-G238 VanDerWaalsContact C-N 3.35Å; Q236-G238 PolarHBondContact O-N 2.95Å; Q236-L239 PolarHBondContact O-N 2.86Å; Q236-V240 WeakPolarHBondContact O-CG2 2.77Å; Q236-V240 PolarHBondContact O-N 3.46Å
237L72.3Confident70.6Confident108 Ų10887.9 Ų87.957%0.56549%0.485SS*.Hα-helixtrans-63.3-38.7175.9-77.9162.4000112.2R233 V240 V241R233-L237 VanDerWaalsContact O-CB 3.27Å; R233-L237 WeakPolarHBondContact O-CB 3.31Å; R233-L237 WeakPolarHBondContact O-CG 3.4Å; R233-L237 PolarHBondContact O-N 3.14Å; L237-V240 PolarHBondContact O-N 2.81Å; L237-V241 VanDerWaalsContact O-CB 3.32Å; L237-V241 WeakPolarHBondContact O-CB 3.12Å; L237-V241 VanDerWaalsContact O-CG2 3.25Å; L237-V241 WeakPolarHBondContact O-CG2 3.14Å; L237-V241 PolarHBondContact O-N 3.43Å
238G77.5Confident72.9Confident42 Ų4288.9 Ų88.943%0.43349%0.489SS..Hα-helixtrans-68-36.4177.600000112.6T234 Q236 G242T234-G238 WeakPolarHBondContact O-CA 3.45Å; T234-G238 PolarHBondContact O-N 3.41Å; Q236-G238 VanDerWaalsContact C-N 3.35Å; Q236-G238 PolarHBondContact O-N 2.95Å; G238-G242 WeakPolarHBondContact O-CA 3.37Å; G238-G242 PolarHBondContact O-N 3.3Å
239L81.1Confident75.1Confident110 Ų11086.5 Ų86.558%0.57649%0.488SS*.Hα-helixtrans-67.2-44.6171.1-176.7152.8000111N235 Q236 G242 I243N235-L239 WeakPolarHBondContact O-CB 3.42Å; N235-L239 PolarHBondContact O-N 3.36Å; Q236-L239 PolarHBondContact O-N 2.86Å; L239-G242 PolarHBondContact O-N 3.13Å; L239-I243 HydrophobicContact CD2-CD1 3.6Å; L239-I243 HydrophobicContact CD2-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.43Å; L239-I243 WeakPolarHBondContact O-CG1 3.09Å; L239-I243 PolarHBondContact O-N 3.32Å
240V82.9Confident77.2Confident81 Ų8184.1 Ų84.149%0.49149%0.486SS..Hα-helixtrans-62.9-48.5176.2170.10000111.5Q236 L237 G242 I243 V244Q236-V240 WeakPolarHBondContact O-CG2 2.77Å; Q236-V240 PolarHBondContact O-N 3.46Å; L237-V240 PolarHBondContact O-N 2.81Å; V240-G242 VanDerWaalsContact C-N 3.33Å; V240-G242 PolarHBondContact O-N 2.83Å; V240-I243 PolarHBondContact O-N 2.69Å; V240-V244 WeakPolarHBondContact O-CG2 3.3Å; V240-V244 PolarHBondContact O-N 3.41Å
241V86.2Confident79.4Confident84 Ų8486.7 Ų86.751%0.50950%0.499SS..Hα-helixtrans-63.2-40.1175.9170.10000110.7L237 V244 C245L237-V241 VanDerWaalsContact O-CB 3.32Å; L237-V241 WeakPolarHBondContact O-CB 3.12Å; L237-V241 VanDerWaalsContact O-CG2 3.25Å; L237-V241 WeakPolarHBondContact O-CG2 3.14Å; L237-V241 PolarHBondContact O-N 3.43Å; V241-V244 PolarHBondContact O-N 2.79Å; V241-C245 WeakPolarHBondContact O-CB 3.47Å; V241-C245 PolarHBondContact O-N 3.03Å; V241-C245 PolarHBondContact O-SG 2.72Å; V241-C245 VanDerWaalsContact O-SG 3.39Å
242G84.4Confident81.4Confident43 Ų4386.8 Ų86.844%0.44350%0.5SS..Hα-helixtrans-59.9-45.2174.900000112.9G238 L239 V240 G246G238-G242 WeakPolarHBondContact O-CA 3.37Å; G238-G242 PolarHBondContact O-N 3.3Å; L239-G242 PolarHBondContact O-N 3.13Å; V240-G242 VanDerWaalsContact C-N 3.33Å; V240-G242 PolarHBondContact O-N 2.83Å; G242-G246 PolarHBondContact O-N 2.78Å
243I88.7Confident83.3Confident101 Ų10186.1 Ų86.152%0.51850%0.499SS..Hα-helixtrans-63.3-47.7174.3-70.9172.9000110.7L239 V240 C245 G246 V247L239-I243 HydrophobicContact CD2-CD1 3.6Å; L239-I243 HydrophobicContact CD2-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.43Å; L239-I243 WeakPolarHBondContact O-CG1 3.09Å; L239-I243 PolarHBondContact O-N 3.32Å; V240-I243 PolarHBondContact O-N 2.69Å; I243-C245 PolarHBondContact O-N 2.59Å; I243-G246 PolarHBondContact O-N 2.72Å; I243-V247 HydrophobicContact CG2-CG2 4.43Å; I243-V247 WeakPolarHBondContact O-CG2 3.24Å; I243-V247 PolarHBondContact O-N 2.8Å
244V89.4Confident85Confident78 Ų7883.7 Ų83.747%0.47350%0.499SS..Hα-helixtrans-61.7-45.8-179.8170.50000111.3V240 V241 V247 I248V240-V244 WeakPolarHBondContact O-CG2 3.3Å; V240-V244 PolarHBondContact O-N 3.41Å; V241-V244 PolarHBondContact O-N 2.79Å; V244-V247 PolarHBondContact O-N 3.48Å; V244-I248 HydrophobicContact CG1-CD1 3.85Å; V244-I248 WeakPolarHBondContact O-CD1 3.34Å; V244-I248 VanDerWaalsContact O-CG1 3.27Å; V244-I248 WeakPolarHBondContact O-CG1 3.47Å; V244-I248 PolarHBondContact O-N 2.8Å
245C90.5Very high86.6Confident65 Ų6583.7 Ų83.744%0.43950%0.499SS..Hα-helixtrans-63.7-40.9174.4-72.60000112.1V241 I243 I248 L249V241-C245 WeakPolarHBondContact O-CB 3.47Å; V241-C245 PolarHBondContact O-N 3.03Å; V241-C245 PolarHBondContact O-SG 2.72Å; V241-C245 VanDerWaalsContact O-SG 3.39Å; I243-C245 PolarHBondContact O-N 2.59Å; C245-I248 PolarHBondContact O-N 2.89Å; C245-L249 WeakPolarHBondContact O-CB 3.05Å; C245-L249 VanDerWaalsContact O-CG 3.32Å; C245-L249 WeakPolarHBondContact O-CG 3.34Å; C245-L249 PolarHBondContact O-N 3.35Å
246G91.4Very high88Confident38 Ų3883.6 Ų83.639%0.39250%0.498SS..Hα-helixtrans-60.7-44.8176.100000112.8G242 I243 L249 A250G242-G246 PolarHBondContact O-N 2.78Å; I243-G246 PolarHBondContact O-N 2.72Å; G246-L249 PolarHBondContact O-N 3.46Å; G246-A250 WeakPolarHBondContact O-CB 3.41Å; G246-A250 PolarHBondContact O-N 3.35Å
247V93.5Very high89.3Confident81 Ų8180.6 Ų80.649%0.49149%0.489SS..Hα-helixtrans-64.5-43.3175.6171.40000111.3I243 V244 L249 A250 L251I243-V247 HydrophobicContact CG2-CG2 4.43Å; I243-V247 WeakPolarHBondContact O-CG2 3.24Å; I243-V247 PolarHBondContact O-N 2.8Å; V244-V247 PolarHBondContact O-N 3.48Å; V247-L249 PolarHBondContact O-N 3.36Å; V247-A250 PolarHBondContact O-N 3.45Å; V247-L251 HydrophobicContact CG1-CD1 3.96Å; V247-L251 HydrophobicContact CG1-CG 4.42Å; V247-L251 WeakPolarHBondContact O-CB 3.45Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.5Å; V247-L251 PolarHBondContact O-N 2.77Å
248I93.2Very high90.3Very high105 Ų10579 Ų7954%0.53848%0.483SS..Hα-helixtrans-62.9-42176.8-69.5166.3000111.2V244 C245 S252V244-I248 HydrophobicContact CG1-CD1 3.85Å; V244-I248 WeakPolarHBondContact O-CD1 3.34Å; V244-I248 VanDerWaalsContact O-CG1 3.27Å; V244-I248 WeakPolarHBondContact O-CG1 3.47Å; V244-I248 PolarHBondContact O-N 2.8Å; C245-I248 PolarHBondContact O-N 2.89Å; I248-S252 WeakPolarHBondContact O-CB 3.33Å; I248-S252 PolarHBondContact O-N 2.77Å
249L94.2Very high91Very high107 Ų10783.2 Ų83.256%0.5649%0.49SS*.Hα-helixtrans-65.3-45.6176.1-73.1172.2000111.7C245 G246 V247 L251 S252 L253C245-L249 WeakPolarHBondContact O-CB 3.05Å; C245-L249 VanDerWaalsContact O-CG 3.32Å; C245-L249 WeakPolarHBondContact O-CG 3.34Å; C245-L249 PolarHBondContact O-N 3.35Å; G246-L249 PolarHBondContact O-N 3.46Å; V247-L249 PolarHBondContact O-N 3.36Å; L249-L251 PolarHBondContact O-N 3.32Å; L249-S252 PolarHBondContact O-N 2.94Å; L249-S252 PolarHBondContact O-OG 3.34Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 2.71Å
250A91.9Very high91.6Very high54 Ų5486.2 Ų86.245%0.44649%0.494SS..Hα-helixtrans-58.3-46.5175.800000112.1G246 V247 S252 L253 V254G246-A250 WeakPolarHBondContact O-CB 3.41Å; G246-A250 PolarHBondContact O-N 3.35Å; V247-A250 PolarHBondContact O-N 3.45Å; A250-S252 PolarHBondContact O-N 2.88Å; A250-L253 PolarHBondContact O-N 2.67Å; A250-V254 WeakPolarHBondContact O-CG2 3.44Å; A250-V254 PolarHBondContact O-N 3.13Å
251L95.2Very high91.9Very high107 Ų10786.4 Ų86.456%0.5650%0.495SS*.Hα-helixtrans-62-41.1175.3-71.4171.9000112V247 L249 L253 V254 V255V247-L251 HydrophobicContact CG1-CD1 3.96Å; V247-L251 HydrophobicContact CG1-CG 4.42Å; V247-L251 WeakPolarHBondContact O-CB 3.45Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.5Å; V247-L251 PolarHBondContact O-N 2.77Å; L249-L251 PolarHBondContact O-N 3.32Å; L251-L253 PolarHBondContact O-N 3.43Å; L251-V254 PolarHBondContact O-N 2.83Å; L251-V255 WeakPolarHBondContact O-CG2 3.34Å; L251-V255 PolarHBondContact O-N 2.75Å
252S92.8Very high92.2Very high47 Ų4786.2 Ų86.233%0.32949%0.491SS..Hα-helixtrans-64.6-39.2177.277.90000112.5I248 L249 A250 V255 I256I248-S252 WeakPolarHBondContact O-CB 3.33Å; I248-S252 PolarHBondContact O-N 2.77Å; L249-S252 PolarHBondContact O-N 2.94Å; L249-S252 PolarHBondContact O-OG 3.34Å; A250-S252 PolarHBondContact O-N 2.88Å; S252-V255 PolarHBondContact O-N 3.35Å; S252-I256 WeakPolarHBondContact O-CB 3.34Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.27Å; S252-I256 PolarHBondContact O-N 3.48Å
253L94.7Very high92.3Very high107 Ų10786.7 Ų86.756%0.5649%0.487SS*.Hα-helixtrans-68.4-39.2176.4-70.6172.4000112.1L249 A250 L251 I256 T257L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 2.71Å; A250-L253 PolarHBondContact O-N 2.67Å; L251-L253 PolarHBondContact O-N 3.43Å; L253-I256 PolarHBondContact O-N 3.33Å; L253-T257 WeakPolarHBondContact O-CG2 3.33Å; L253-T257 PolarHBondContact O-N 2.95Å; L253-T257 PolarHBondContact O-OG1 2.88Å
254V94.2Very high92.2Very high85 Ų8588.3 Ų88.352%0.51549%0.486SS..Hα-helixtrans-62.3-43.3172.21700000111A250 L251 I256 T257 V258A250-V254 WeakPolarHBondContact O-CG2 3.44Å; A250-V254 PolarHBondContact O-N 3.13Å; L251-V254 PolarHBondContact O-N 2.83Å; V254-I256 VanDerWaalsContact C-N 3.35Å; V254-I256 PolarHBondContact O-N 2.83Å; V254-T257 PolarHBondContact O-N 2.7Å; V254-T257 PolarHBondContact O-OG1 2.79Å; V254-T257 VanDerWaalsContact O-OG1 3.12Å; V254-V258 HydrophobicContact CG1-CG2 4.5Å; V254-V258 WeakPolarHBondContact O-CB 3.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.3Å; V254-V258 PolarHBondContact O-N 3.23Å
255V93.5Very high92.2Very high79 Ų7991.6 Ų91.648%0.47949%0.494SS..Hα-helixtrans-62.7-41.7175.2168.90000111.2L251 S252 V258 F259L251-V255 WeakPolarHBondContact O-CG2 3.34Å; L251-V255 PolarHBondContact O-N 2.75Å; S252-V255 PolarHBondContact O-N 3.35Å; V255-V258 PolarHBondContact O-N 2.98Å; V255-F259 HydrophobicContact CG1-CD2 3.65Å; V255-F259 HydrophobicContact CG1-CE2 3.67Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.38Å; V255-F259 PolarHBondContact O-N 3.36Å
256I94.3Very high91.7Very high97 Ų9793.3 Ų93.350%0.49750%0.496SS..Hα-helixtrans-64.5-43.6177.1-71.1162.8000111.7S252 L253 V254 F259 W260S252-I256 WeakPolarHBondContact O-CB 3.34Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.27Å; S252-I256 PolarHBondContact O-N 3.48Å; L253-I256 PolarHBondContact O-N 3.33Å; V254-I256 VanDerWaalsContact C-N 3.35Å; V254-I256 PolarHBondContact O-N 2.83Å; I256-F259 PolarHBondContact O-N 3.34Å; I256-W260 WeakPolarHBondContact O-CB 3.34Å; I256-W260 PolarHBondContact O-N 3.48Å
257T93.6Very high91.2Very high74 Ų7497.2 Ų97.245%0.45450%0.504SS..Hα-helixtrans-70.8-33.9178.755.60000112.6L253 V254 W260 T261L253-T257 WeakPolarHBondContact O-CG2 3.33Å; L253-T257 PolarHBondContact O-N 2.95Å; L253-T257 PolarHBondContact O-OG1 2.88Å; V254-T257 PolarHBondContact O-N 2.7Å; V254-T257 PolarHBondContact O-OG1 2.79Å; V254-T257 VanDerWaalsContact O-OG1 3.12Å; T257-W260 PolarHBondContact O-N 3.24Å; T257-T261 WeakPolarHBondContact O-CB 3.43Å; T257-T261 WeakPolarHBondContact O-CG2 3.5Å; T257-T261 PolarHBondContact O-N 3.45Å; T257-T261 PolarHBondContact O-OG1 2.99Å
258V93.7Very high90.5Very high73 Ų7399 Ų9944%0.44251%0.505SS..Hα-helixtrans-64.4-46.4170.5170.30000110.8V254 V255 W260 T261 I262V254-V258 HydrophobicContact CG1-CG2 4.5Å; V254-V258 WeakPolarHBondContact O-CB 3.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.3Å; V254-V258 PolarHBondContact O-N 3.23Å; V255-V258 PolarHBondContact O-N 2.98Å; V258-W260 PolarHBondContact O-N 3.48Å; V258-T261 PolarHBondContact O-N 3.02Å; V258-T261 PolarHBondContact O-OG1 3.44Å; V258-I262 HydrophobicContact CG1-CD1 3.79Å; V258-I262 WeakPolarHBondContact O-CB 3.45Å; V258-I262 WeakPolarHBondContact O-CD1 3.24Å; V258-I262 VanDerWaalsContact O-CG1 3.24Å; V258-I262 WeakPolarHBondContact O-CG1 3.39Å; V258-I262 PolarHBondContact O-N 2.9Å
259F92.3Very high89.9Confident131 Ų13197.8 Ų97.858%0.57550%0.499SS*.Hα-helixtrans-63.7-40174.9-85.7-62.9000112.7V255 I256 I262 C263V255-F259 HydrophobicContact CG1-CD2 3.65Å; V255-F259 HydrophobicContact CG1-CE2 3.67Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.38Å; V255-F259 PolarHBondContact O-N 3.36Å; I256-F259 PolarHBondContact O-N 3.34Å; F259-I262 PolarHBondContact O-N 3.17Å; F259-C263 WeakPolarHBondContact O-CB 3.38Å; F259-C263 PolarHBondContact O-N 2.98Å; F259-C263 PolarHBondContact O-SG 2.96Å
260W92.3Very high89Confident173 Ų17399.1 Ų99.166%0.65550%0.497SS*.Hα-helixtrans-66-44.4178.3-169.13.9000111.5I256 T257 V258 I262 C263 W264I256-W260 WeakPolarHBondContact O-CB 3.34Å; I256-W260 PolarHBondContact O-N 3.48Å; T257-W260 PolarHBondContact O-N 3.24Å; V258-W260 PolarHBondContact O-N 3.48Å; W260-I262 PolarHBondContact O-N 3.31Å; W260-C263 PolarHBondContact O-N 3.05Å; W260-W264 WeakPolarHBondContact O-CB 3.2Å; W260-W264 PolarHBondContact O-N 2.73Å
261T91Very high88.1Confident85 Ų85101 Ų10152%0.52150%0.499SS..Hα-helixtrans-64.2-39.1176.549.70000112.5T257 V258 K265T257-T261 WeakPolarHBondContact O-CB 3.43Å; T257-T261 WeakPolarHBondContact O-CG2 3.5Å; T257-T261 PolarHBondContact O-N 3.45Å; T257-T261 PolarHBondContact O-OG1 2.99Å; V258-T261 PolarHBondContact O-N 3.02Å; V258-T261 PolarHBondContact O-OG1 3.44Å; T261-K265 WeakPolarHBondContact O-CB 3.07Å; T261-K265 PolarHBondContact O-N 3.24Å
262I90.9Very high87Confident81 Ų8198.2 Ų98.242%0.41549%0.492SS..Hα-helixtrans-63.4-49.9173-67.8166.3000111.1V258 F259 W260 W264 K265 Q266V258-I262 HydrophobicContact CG1-CD1 3.79Å; V258-I262 WeakPolarHBondContact O-CB 3.45Å; V258-I262 WeakPolarHBondContact O-CD1 3.24Å; V258-I262 VanDerWaalsContact O-CG1 3.24Å; V258-I262 WeakPolarHBondContact O-CG1 3.39Å; V258-I262 PolarHBondContact O-N 2.9Å; F259-I262 PolarHBondContact O-N 3.17Å; W260-I262 PolarHBondContact O-N 3.31Å; I262-W264 PolarHBondContact O-N 3.15Å; I262-K265 PolarHBondContact O-N 3.44Å; I262-Q266 PolarHBondContact O-N 3.42Å
263C87.9Confident86.1Confident53 Ų53103 Ų10336%0.35851%0.507SS..Hα-helixtrans-63.6-41.6179.8-68.30000111.8F259 W260 Q266 Q267F259-C263 WeakPolarHBondContact O-CB 3.38Å; F259-C263 PolarHBondContact O-N 2.98Å; F259-C263 PolarHBondContact O-SG 2.96Å; W260-C263 PolarHBondContact O-N 3.05Å; C263-Q266 PolarHBondContact O-N 2.78Å; C263-Q267 WeakPolarHBondContact O-CB 3.31Å; C263-Q267 PolarHBondContact O-N 2.7Å
264W86.3Confident85Confident134 Ų134105.3 Ų105.351%0.50851%0.512SS..Hα-helixtrans-68.1-37.6179.6-167.714.6000111.7W260 I262 Q267 K268W260-W264 WeakPolarHBondContact O-CB 3.2Å; W260-W264 PolarHBondContact O-N 2.73Å; I262-W264 PolarHBondContact O-N 3.15Å; W264-Q267 PolarHBondContact O-N 3.31Å; W264-K268 WeakPolarHBondContact O-CG 3.45Å; W264-K268 PolarHBondContact O-N 2.81Å
265K88.1Confident83.9Confident147 Ų147106.6 Ų106.664%0.63952%0.515SS*.Hα-helixtrans-60.3-52.5171.4-172171.7-177.4175.80110.9T261 I262 Q267 K268 D269T261-K265 WeakPolarHBondContact O-CB 3.07Å; T261-K265 PolarHBondContact O-N 3.24Å; I262-K265 PolarHBondContact O-N 3.44Å; K265-Q267 VanDerWaalsContact C-N 3.26Å; K265-Q267 PolarHBondContact O-N 3.02Å; K265-K268 PolarHBondContact O-N 3.28Å; K265-K268 VanDerWaalsContact O-N 3.16Å; K265-D269 VanDerWaalsContact O-CG 3.24Å; K265-D269 PolarHBondContact O-N 2.87Å
266Q81.4Confident82.5Confident102 Ų102108.9 Ų108.948%0.47752%0.52SS..Hα-helixtrans-60.1-33.7176.6-69.3-171.38.300113.2I262 C263 R270I262-Q266 PolarHBondContact O-N 3.42Å; C263-Q266 PolarHBondContact O-N 2.78Å; Q266-R270 WeakPolarHBondContact O-CG 3.38Å; Q266-R270 PolarHBondContact O-N 2.81Å
267Q80.2Confident81.6Confident119 Ų119111 Ų11156%0.55653%0.526SS*.Hα-helixtrans-72.3-39176.9-169.5174.12.800112.2C263 W264 K265 R270 L271C263-Q267 WeakPolarHBondContact O-CB 3.31Å; C263-Q267 PolarHBondContact O-N 2.7Å; W264-Q267 PolarHBondContact O-N 3.31Å; K265-Q267 VanDerWaalsContact C-N 3.26Å; K265-Q267 PolarHBondContact O-N 3.02Å; Q267-R270 PolarHBondContact O-N 2.69Å; Q267-L271 HydrophobicContact CG-CD1 4.4Å; Q267-L271 WeakPolarHBondContact O-CG 3.06Å; Q267-L271 PolarHBondContact O-N 2.95Å
268K79.3Confident80.5Confident119 Ų119113.7 Ų113.752%0.51753%0.533SS..Hα-helixtrans-60.3-45.7170.7-76.4-177.8177.3-176.60111.1W264 K265 R270 L271 A272W264-K268 WeakPolarHBondContact O-CG 3.45Å; W264-K268 PolarHBondContact O-N 2.81Å; K265-K268 PolarHBondContact O-N 3.28Å; K265-K268 VanDerWaalsContact O-N 3.16Å; K268-R270 VanDerWaalsContact C-N 3.32Å; K268-R270 PolarHBondContact O-N 2.85Å; K268-L271 PolarHBondContact O-N 3.08Å; K268-L271 VanDerWaalsContact O-N 3.15Å; K268-A272 PolarHBondContact O-N 3.08Å
269D80.4Confident79.7Confident79 Ų79113.9 Ų113.942%0.42254%0.535SS..Hα-helixtrans-62.6-36.9178.4-61.1-25.9000112.3K265 K273K265-D269 VanDerWaalsContact O-CG 3.24Å; K265-D269 PolarHBondContact O-N 2.87Å; D269-K273 VanDerWaalsContact O-CG 3.3Å; D269-K273 WeakPolarHBondContact O-CG 3.34Å; D269-K273 PolarHBondContact O-N 2.91Å
270R75.7Confident78.8Confident135 Ų135112.9 Ų112.951%0.50953%0.534SS..Hα-helixtrans-69.4-36.8173.8-73.9-179.4-171.3-152.17.6112.7Q266 Q267 K268 K274Q266-R270 WeakPolarHBondContact O-CG 3.38Å; Q266-R270 PolarHBondContact O-N 2.81Å; Q267-R270 PolarHBondContact O-N 2.69Å; K268-R270 VanDerWaalsContact C-N 3.32Å; K268-R270 PolarHBondContact O-N 2.85Å; R270-K274 PolarHBondContact O-N 2.9Å; R270-K274 VanDerWaalsContact O-N 3.16Å
271L71.7Confident77.9Confident95 Ų95108.5 Ų108.550%0.49752%0.523SS..Hα-helixtrans-70.2-45176.8-77165.6000111.8Q267 K268 K273 K274 I275Q267-L271 HydrophobicContact CG-CD1 4.4Å; Q267-L271 WeakPolarHBondContact O-CG 3.06Å; Q267-L271 PolarHBondContact O-N 2.95Å; K268-L271 PolarHBondContact O-N 3.08Å; K268-L271 VanDerWaalsContact O-N 3.15Å; L271-K273 VanDerWaalsContact C-N 3.33Å; L271-K273 PolarHBondContact O-N 3.06Å; L271-K274 PolarHBondContact O-N 3.26Å; L271-K274 VanDerWaalsContact O-N 3.16Å; L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 3.35Å
272A72.4Confident76.9Confident48 Ų48110.5 Ų110.540%0.39753%0.527SS..Hα-helixtrans-56.4-46.9175.800000111.7K268 K274 I275 Q276K268-A272 PolarHBondContact O-N 3.08Å; A272-K274 PolarHBondContact O-N 2.87Å; A272-I275 PolarHBondContact O-N 3.32Å; A272-Q276 WeakPolarHBondContact O-CG 3.4Å; A272-Q276 PolarHBondContact O-N 3.41Å
273K73.8Confident75.9Confident148 Ų148111.6 Ų111.664%0.64353%0.53SS*.Hα-helixtrans-63.3-37.1176.9-72175.4-178.4-175.90113.2D269 L271 F277D269-K273 VanDerWaalsContact O-CG 3.3Å; D269-K273 WeakPolarHBondContact O-CG 3.34Å; D269-K273 PolarHBondContact O-N 2.91Å; L271-K273 VanDerWaalsContact C-N 3.33Å; L271-K273 PolarHBondContact O-N 3.06Å; K273-F277 WeakPolarHBondContact O-CB 3.44Å; K273-F277 PolarHBondContact O-N 2.86Å
274K71.1Confident75Confident155 Ų155117 Ų11767%0.67454%0.543SS*.Hα-helixtrans-65.2-43.5173.8-81.3-169.5172.2-165.70112.3R270 L271 A272 F277 H278R270-K274 PolarHBondContact O-N 2.9Å; R270-K274 VanDerWaalsContact O-N 3.16Å; L271-K274 PolarHBondContact O-N 3.26Å; L271-K274 VanDerWaalsContact O-N 3.16Å; A272-K274 PolarHBondContact O-N 2.87Å; K274-F277 PolarHBondContact O-N 3.34Å; K274-H278 PolarHBondContact O-N 3.47Å
275I71.2Confident73.9Confident111 Ų111115.7 Ų115.757%0.56955%0.546SS*.Hα-helixtrans-64.8-46.8178.6-65.7166000110.3L271 A272 F277 H278 V279L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 3.35Å; A272-I275 PolarHBondContact O-N 3.32Å; I275-F277 VanDerWaalsContact C-N 3.32Å; I275-F277 PolarHBondContact O-N 3.05Å; I275-H278 PolarHBondContact O-N 2.71Å; I275-V279 HydrophobicContact CG2-CG2 4.38Å; I275-V279 WeakPolarHBondContact O-CG2 3.36Å; I275-V279 PolarHBondContact O-N 2.82Å
276Q64.2Low72.5Confident128 Ų128115.5 Ų115.560%0.59855%0.547SS*.Hα-helixtrans-59.2-41175.9-72.9-178.2-55.100112.6A272 L280A272-Q276 WeakPolarHBondContact O-CG 3.4Å; A272-Q276 PolarHBondContact O-N 3.41Å; Q276-L280 WeakPolarHBondContact O-CB 3.5Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.93Å
277F76.7Confident71.5Confident141 Ų141116.1 Ų116.162%0.61855%0.55SS*.Hα-helixtrans-64.6-42175.9-172.9-98000112.4K273 K274 I275 L281K273-F277 WeakPolarHBondContact O-CB 3.44Å; K273-F277 PolarHBondContact O-N 2.86Å; K274-F277 PolarHBondContact O-N 3.34Å; I275-F277 VanDerWaalsContact C-N 3.32Å; I275-F277 PolarHBondContact O-N 3.05Å; F277-L281 WeakPolarHBondContact O-CB 3.36Å; F277-L281 PolarHBondContact O-N 2.82Å
278H70.3Confident70.5Confident130 Ų130117.6 Ų117.660%0.60256%0.557SS**Hα-helixtrans-67.2-40.4177.7-121.134.3000112.6K274 I275 L281 Q282K274-H278 PolarHBondContact O-N 3.47Å; I275-H278 PolarHBondContact O-N 2.71Å; H278-L281 PolarHBondContact O-N 3Å; H278-Q282 VanDerWaalsContact O-CB 3.3Å; H278-Q282 WeakPolarHBondContact O-CB 3.4Å; H278-Q282 PolarHBondContact O-N 2.98Å
279V76.6Confident69.1Low78 Ų78116.9 Ų116.947%0.47356%0.558SS.*Hα-helixtrans-62.7-45.6175.7171.70000111.1I275 L281 Q282 Q283I275-V279 HydrophobicContact CG2-CG2 4.38Å; I275-V279 WeakPolarHBondContact O-CG2 3.36Å; I275-V279 PolarHBondContact O-N 2.82Å; V279-L281 PolarHBondContact O-N 3.21Å; V279-Q282 PolarHBondContact O-N 3.09Å; V279-Q283 WeakPolarHBondContact O-CB 3.41Å; V279-Q283 PolarHBondContact O-N 3.32Å
280L73.9Confident67.8Low109 Ų109119.3 Ų119.357%0.57158%0.579SS**Hα-helixtrans-65.3-37.6176.8-72.2170.4000112.6Q276 R284Q276-L280 WeakPolarHBondContact O-CB 3.5Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.93Å; L280-R284 WeakPolarHBondContact O-CG 3.44Å; L280-R284 PolarHBondContact O-N 2.8Å
281L72.8Confident66.9Low81 Ų81115.9 Ų115.942%0.42459%0.585SS.*Hα-helixtrans-66.4-44.3175.6-167.476.3000111.5F277 H278 V279 R284 L285F277-L281 WeakPolarHBondContact O-CB 3.36Å; F277-L281 PolarHBondContact O-N 2.82Å; H278-L281 PolarHBondContact O-N 3Å; V279-L281 PolarHBondContact O-N 3.21Å; L281-R284 PolarHBondContact O-N 2.71Å; L281-L285 HydrophobicContact CG-CD1 4.36Å; L281-L285 WeakPolarHBondContact O-CG 3.16Å; L281-L285 PolarHBondContact O-N 2.98Å
282Q68.9Low66Low127 Ų127116 Ų11659%0.59359%0.59SS**Hα-helixtrans-64.1-41.3177-176.1177.3-18.200111.4H278 V279 L285 Q286H278-Q282 VanDerWaalsContact O-CB 3.3Å; H278-Q282 WeakPolarHBondContact O-CB 3.4Å; H278-Q282 PolarHBondContact O-N 2.98Å; V279-Q282 PolarHBondContact O-N 3.09Å; Q282-L285 PolarHBondContact O-N 3.49Å; Q282-Q286 WeakPolarHBondContact O-CB 3.29Å; Q282-Q286 PolarHBondContact O-N 2.87Å
283Q71.9Confident64.8Low104 Ų104122 Ų12249%0.48661%0.607SS.*Hα-helixtrans-62.7-42.3175.5-172.5172.8-700111.7V279 Q286 E287V279-Q283 WeakPolarHBondContact O-CB 3.41Å; V279-Q283 PolarHBondContact O-N 3.32Å; Q283-Q286 PolarHBondContact O-N 3.02Å; Q283-E287 WeakPolarHBondContact O-CG 3.47Å; Q283-E287 PolarHBondContact O-N 3.28Å
284R68.9Low63.6Low167 Ų167125 Ų12563%0.6362%0.615SS**Hα-helixtrans-63.4-41173.5-77.1-56.4-154.6177.56.4113.4L280 L281 Q286 E287 Q288L280-R284 WeakPolarHBondContact O-CG 3.44Å; L280-R284 PolarHBondContact O-N 2.8Å; L281-R284 PolarHBondContact O-N 2.71Å; R284-Q286 VanDerWaalsContact C-N 3.29Å; R284-Q286 PolarHBondContact O-N 3.28Å; R284-E287 VanDerWaalsContact CD-OE2 3.27Å; R284-E287 WeakPolarHBondContact CD-OE2 3.42Å; R284-E287 IonicContact CZ-OE2 2.83Å; R284-E287 IonicContact NE-OE2 3.76Å; R284-E287 IonicContact NH1-OE2 3.48Å; R284-E287 PolarHBondContact NH1-OE2 2.84Å; R284-E287 PolarHBondContact O-N 3.29Å; R284-Q288 PolarHBondContact O-N 3.26Å; R284-Q288 VanDerWaalsContact O-N 3.17Å
285L62.2Low62.6Low107 Ų107126.3 Ų126.356%0.5662%0.622SS**Hα-helixtrans-65.7-33.7175.5-72.8166.4000112.1L281 Q282 Q288 N289L281-L285 HydrophobicContact CG-CD1 4.36Å; L281-L285 WeakPolarHBondContact O-CG 3.16Å; L281-L285 PolarHBondContact O-N 2.98Å; Q282-L285 PolarHBondContact O-N 3.49Å; L285-Q288 PolarHBondContact O-N 2.98Å; L285-N289 PolarHBondContact O-N 2.95Å
286Q58.7Low61.3Low143 Ų143128.7 Ų128.767%0.66863%0.629SS**Hα-helixtrans-72.1-35.6175.9-172.2174.1-16.400112.7Q282 Q283 R284 Q288Q282-Q286 WeakPolarHBondContact O-CB 3.29Å; Q282-Q286 PolarHBondContact O-N 2.87Å; Q283-Q286 PolarHBondContact O-N 3.02Å; R284-Q286 VanDerWaalsContact C-N 3.29Å; R284-Q286 PolarHBondContact O-N 3.28Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å
287E61.5Low60.6Low115 Ų115128.4 Ų128.454%0.53764%0.638SS.*Hα-helixtrans-63-35.8170.1-74.2177.2168.100112.2Q283 R284Q283-E287 WeakPolarHBondContact O-CG 3.47Å; Q283-E287 PolarHBondContact O-N 3.28Å; R284-E287 VanDerWaalsContact CD-OE2 3.27Å; R284-E287 WeakPolarHBondContact CD-OE2 3.42Å; R284-E287 IonicContact CZ-OE2 2.83Å; R284-E287 IonicContact NE-OE2 3.76Å; R284-E287 IonicContact NH1-OE2 3.48Å; R284-E287 PolarHBondContact NH1-OE2 2.84Å; R284-E287 PolarHBondContact O-N 3.29Å
288Q58.6Low59.1Low150 Ų150132.7 Ų132.770%0.70165%0.65SS**THydrogen-bonded Turntrans-86.4-6.6-170.4-149.7172.81700114.7R284 L285 Q286R284-Q288 PolarHBondContact O-N 3.26Å; R284-Q288 VanDerWaalsContact O-N 3.17Å; L285-Q288 PolarHBondContact O-N 2.98Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å
289N50.6Low58Low103 Ų103132.4 Ų132.455%0.55166%0.66SS**  trans-144.576.9179.5-99.5-67.9000113.3L285 G291 V292L285-N289 PolarHBondContact O-N 2.95Å; N289-G291 PolarHBondContact O-N 2.86Å; N289-V292 HydrophobicContact CB-CG2 4.41Å
290P52.1Low56.2Low131 Ų131139.4 Ų139.485%0.85168%0.68SS**THydrogen-bonded Turntrans-69.6-1.1-177.328.3-36000115.5
291G57Low54.7Low63 Ų63141.8 Ų141.865%0.64969%0.693SS**THydrogen-bonded Turntrans-102.2-17.7-173.400000117.1N289N289-G291 PolarHBondContact O-N 2.86Å
292V52.9Low53Low97 Ų97141.1 Ų141.159%0.58871%0.706SS**SBendtrans-101.1-16.3-157.3-172.40000114.5N289 R294N289-V292 HydrophobicContact CB-CG2 4.41Å; V292-R294 PolarHBondContact O-N 2.83Å
293F46.9Very low51.8Low175 Ų175143.2 Ų143.277%0.76872%0.719SS**  trans-94.837.5-175.5-99.8-80.8000115.4F296F293-F296 AromaticContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CE2 4.17Å; F293-F296 AromaticContact CE1-CD2 3.74Å; F293-F296 HydrophobicContact CE1-CD2 3.74Å; F293-F296 AromaticContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CZ-CE2 4.17Å
294R49.8Very low50.3Low211 Ų211145.7 Ų145.780%0.79673%0.73SS**  trans-100.8147.3157.6-62.1-175-176.3-166.31.3107.7V292V292-R294 PolarHBondContact O-N 2.83Å
295H49.6Very low49Very low181 Ų181144.9 Ų144.984%0.83874%0.738SS**  trans7368.2-176.9-41.4-77.3000116.2
296F44.4Very low47.9Very low162 Ų162143 Ų14371%0.71175%0.746SS**  trans-118.4132.3149.7-89-83.3000109.6F293F293-F296 AromaticContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CE2 4.17Å; F293-F296 AromaticContact CE1-CD2 3.74Å; F293-F296 HydrophobicContact CE1-CD2 3.74Å; F293-F296 AromaticContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CZ-CE2 4.17Å
297P48.8Very low46.9Very low122 Ų122145.6 Ų145.679%0.79276%0.76SS**PPolyproline II helixtrans-69.6148.9-175.9-19.232.6000113.2
298R46Very low45.8Very low230 Ų230143.6 Ų143.687%0.86877%0.77SS**PPolyproline II helixtrans-73.7140.6165-68.3-177.4177.3-177.1-1109.6Y300R298-Y300 PolarHBondContact O-N 3.49Å
299P45.9Very low44.7Very low124 Ų124145.3 Ų145.381%0.80578%0.778SS**PPolyproline II helixtrans-65.1129.1167.928.3-33.1000109.7
300Y39Very low43.9Very low225 Ų225144.5 Ų144.588%0.88279%0.786SS**PPolyproline II helixtrans-83.5136173.5-122.3-94.8000109.6R298R298-Y300 PolarHBondContact O-N 3.49Å
301N42.1Very low43.3Very low159 Ų159147.6 Ų147.685%0.8579%0.789SS**PPolyproline II helixtrans-94.3119.5177.3-86.8-16000111.1
302G38.2Very low42.6Very low67 Ų67152 Ų15269%0.69180%0.795SS**  trans88.6163154.100000117.5
303I43.6Very low41.8Very low171 Ų171158.8 Ų158.888%0.87781%0.811SS**  trans64.1103.6170.9-47.6178.2000113.6
304H39.3Very low41.3Very low156 Ų156159.2 Ų159.272%0.72282%0.816SS**  cis115.2145.549-145.1-97.5000108
305D42Very low40.5Very low150 Ų150156.4 Ų156.480%0.80282%0.817SS**  trans63.6149.3172.9-55.9-52.6000119.4
306G38.6Very low39.9Very low69 Ų69158.8 Ų158.871%0.71182%0.82SS**  trans114.759.4160.300000119
307M38.4Very low39.4Very low197 Ų197157.7 Ų157.797%0.9783%0.827SS**  trans46.5125.6144.8-51.7-179-163.200121.2
308G37.9Very low39Very low73 Ų73156.3 Ų156.375%0.75383%0.826SS**  trans100.79413900000118.2
309Q35.8Very low38.7Very low185 Ų185150.8 Ų150.886%0.86482%0.82SS**  -173.999.7124.4-103.3169.5200110.6
310A34.8Very low38Very low87 Ų87152 Ų15272%0.71982%0.819SS**  trans-76.6175.6143.800000108.4
311E37.7Very low38Very low195 Ų195151.9 Ų151.991%0.91182%0.819SS**  trans71.159.2175.4-49.7-172.1156.800117
312M43.2Very low37.7Very low156 Ų156147.4 Ų147.477%0.76881%0.811SS**  trans-145.429.8161.6-143.4-176-17400116.8
313Y36.7Very low37.6Very low239 Ų239151.8 Ų151.894%0.93782%0.815SS**SBendtrans-134.143.3176.4-80.7-71.2000114.7
314Q35.7Very low37.4Very low184 Ų184152.2 Ų152.286%0.8681%0.807SS**SBendtrans-133.3153.8159.2-79.3176.6-2300109
315N33.7Very low37.3Very low153 Ų153150.2 Ų150.282%0.81881%0.805SS**  trans60.175.9-175.1-66.2-17.3000116.9
316Y36.6Very low37Very low231 Ų231150 Ų15091%0.90681%0.81SS**  trans-140.188.3141.5-102.3-72.4000111.1
317T34.3Very low36.7Very low139 Ų139150.2 Ų150.285%0.85381%0.812SS**  trans-78.8114.4166.346.90000109.5
318A39.5Very low36.8Very low93 Ų93146.2 Ų146.277%0.76980%0.803SS**PPolyproline II helixtrans-98.7146.9172.400000110.8
319P39.2Very low37Very low114 Ų114151 Ų15174%0.7481%0.806SS**PPolyproline II helixtrans-81.7158.6-165.132.3-36.9000114.9
320D31.2Very low37Very low150 Ų150146 Ų14680%0.80279%0.791SS**PPolyproline II helixtrans-78.9130.6176.5-174.614.1000112
321Y40Very low37Very low221 Ų221153.4 Ų153.487%0.86780%0.8SS**  trans-152.6101.3171.8-92.5-76.2000110.2
322G34.5Very low37.1Very low66 Ų66147.1 Ų147.168%0.6879%0.787SS**  trans-115.1115.6-179.900000114.8
323M36.6Very low36.8Very low158 Ų158148.8 Ų148.878%0.77879%0.794SS**  trans-161.3147160.6-75.5-163.6178.700108.3
324Y40Very low37Very low181 Ų181148.3 Ų148.371%0.7179%0.79SS**  cis-157.4141.6-15.9-104-31.1000111.1
325T36.7Very low37.2Very low113 Ų113149.1 Ų149.169%0.69379%0.791SS**  trans55.3134.5142.965.90000123.8
326T36.7Very low37.6Very low146 Ų146148.3 Ų148.390%0.89679%0.785SS**  trans82.1126.8154.972.90000121
327G31.7Very low37.9Very low74 Ų74144.9 Ų144.976%0.76378%0.782SS**  trans104.961.113100000121.1
328S40.7Very low38Very low112 Ų112141.5 Ų141.578%0.78378%0.775SS**  trans177105.9133.439.40000114.2
329H41.1Very low37.8Very low175 Ų175144.4 Ų144.481%0.8178%0.777SS**  trans-79.3145.7177.3-62.2-84000113.8
330C36.1Very low37.7Very low80 Ų80147.6 Ų147.654%0.54178%0.78SS.*SBendtrans-136.8157.5130.6-77.20000107.4
331W35.8Very low37.7Very low241 Ų241144.2 Ų144.291%0.91378%0.78SS**  trans66.556.8-173.8-54.7104.7000115.9
332G38.4Very low37.8Very low63 Ų63142.7 Ų142.765%0.64978%0.777SS**  trans-93.2135.5156.800000110.8
333Q38.7Very low37.8Very low192 Ų192149.1 Ų149.190%0.89779%0.79SS**  trans-66.4135.7-178.9-66.8177.1-44.100112.1
334R39Very low38Very low229 Ų229150.2 Ų150.286%0.86479%0.79SS**  trans-100.396.8158.8-74.1-173.9177.5-179.1-0.4109.6
335K41.3Very low38Very low201 Ų201148.2 Ų148.287%0.87479%0.791SS**  trans-98.2126148.3-85.5-171.7173.4-177.40107.7
336I40.7Very low37.8Very low135 Ų135152.8 Ų152.869%0.69280%0.802SS**  trans-103.3158.5174.6-52.6174000106.3
337N43.1Very low37.8Very low160 Ų160149.8 Ų149.886%0.85680%0.8SS**  trans77.8139.1-172.5-42.3-20.6000113.4
338G37.8Very low37.9Very low68 Ų68152.8 Ų152.870%0.70180%0.798SS**  cis152.6114.6-9.100000113.9
339L33.9Very low38Very low154 Ų154157.4 Ų157.481%0.80680%0.804SS**  trans66.6141.6162-106.860.5000119.9
340F38Very low37.7Very low181 Ų181160.3 Ų160.379%0.79481%0.808SS**  trans51.285.2163.1-64.4-64.2000120
341G31.6Very low37.7Very low78 Ų78159.7 Ų159.780%0.80482%0.815SS**  trans-76.3134.2149.200000112
342K41.9Very low38Very low189 Ų189157 Ų15782%0.82281%0.812SS**  trans-141.284.1160.1-83.2-173.3178.3171.90109.8
343Q33.9Very low38.1Very low202 Ų202162.7 Ų162.794%0.94482%0.822SS**  trans-74.1127.6157.9-75.9179.5-25.900108.2
344K41.8Very low38.5Very low180 Ų180158.5 Ų158.578%0.78381%0.811SS**  trans-136.5117.6169.3-93.6-160.1167.7-164.20111.4
345L38.7Very low39.4Very low140 Ų140153.5 Ų153.573%0.73381%0.809SS**  trans55.299.3136.4-67.9153.2000118.5
346F33.2Very low39.7Very low209 Ų209152 Ų15292%0.91781%0.806SS**  trans16.8110.6132.1-63.2-84.1000118.4
347G35.7Very low40.4Very low82 Ų82150.9 Ų150.985%0.84581%0.808SS**  trans-118.4108.3157.200000110
348N35.5Very low40.8Very low137 Ų137147.7 Ų147.773%0.73380%0.796SS**  trans-97.1109.9-172-175.20.1000111.7
349K41.9Very low41.2Very low210 Ų210149.9 Ų149.991%0.91380%0.798SS**  trans-135.8133.9161-75-163.7175.1-174.60110.5
350R35.2Very low41.4Very low236 Ų236152.7 Ų152.789%0.89180%0.799SS**  trans-91.3151.3178.9-54.3175.9-173.5171.90.9110.1
351G36.1Very low41.7Very low66 Ų66148.9 Ų148.968%0.6879%0.791SS**  trans118.7134.2165.100000114.2
352H41.4Very low42.1Very low186 Ų186152.9 Ų152.986%0.86179%0.793SS**  trans5783.3172.5-62.491.1000116.2P354H352-P354 WeakPolarHBondContact O-CD 3.49Å
353Q40.3Very low41.8Very low182 Ų182148.7 Ų148.785%0.8578%0.78SS**PPolyproline II helixtrans-66.9118.3158.7179.1176.4300109.2
354P48.3Very low42.1Very low104 Ų104150.8 Ų150.868%0.67578%0.78SS**PPolyproline II helixtrans-66.3145.4171.8-17.231.9000110.1H352 M356H352-P354 WeakPolarHBondContact O-CD 3.49Å; P354-M356 PolarHBondContact O-N 2.04Å
355P56.6Low42.3Very low124 Ų124149.9 Ų149.981%0.80578%0.776SS**PPolyproline II helixtrans-62.3134.6172.827.4-33.7000109.5
356M48.8Very low42.6Very low168 Ų168154.3 Ų154.383%0.82878%0.783SS**PPolyproline II helixtrans-63137.7175.3-65.5-162.1-58.500109.8P354P354-M356 PolarHBondContact O-N 2.04Å
357P55.2Low43.4Very low112 Ų112150.5 Ų150.573%0.72777%0.771SS**PPolyproline II helixtrans-62.2139.6168.428-33.5000109
358P51Low44Very low94 Ų94156.5 Ų156.561%0.6177%0.769SS**PPolyproline II helixtrans-61.2148174.227.4-34.5000109.7Y360P358-Y360 PolarHBondContact O-N 3.29Å
359P46.1Very low45.1Very low113 Ų113155.7 Ų155.773%0.73476%0.76SS**  trans-64.2110.217926.7-33.4000109.3V361P359-V361 HydrophobicContact CB-CG2 4.39Å; P359-V361 WeakPolarHBondContact O-CG2 3.39Å; P359-V361 PolarHBondContact O-N 3.46Å
360Y39Very low46Very low214 Ų214147.7 Ų147.784%0.83973%0.73SS**  trans-68.882.8167.4-92.8-87.7000108.9P358 N362P358-Y360 PolarHBondContact O-N 3.29Å; Y360-N362 PolarHBondContact O-N 3.39Å
361V43.9Very low47.8Very low101 Ų101141.3 Ų141.361%0.61272%0.719SS**  trans-64.3101175.7-172.20000107.3P359 N363P359-V361 HydrophobicContact CB-CG2 4.39Å; P359-V361 WeakPolarHBondContact O-CG2 3.39Å; P359-V361 PolarHBondContact O-N 3.46Å; V361-N363 HydrophobicContact CG1-CB 3.94Å; V361-N363 WeakPolarHBondContact CG1-ND2 3.16Å; V361-N363 PolarHBondContact O-N 2.78Å
362N38.9Very low49.2Very low161 Ų161143.7 Ų143.786%0.86171%0.713SS**  trans-77.144.8-176.5-134.6-10.5000111.9Y360Y360-N362 PolarHBondContact O-N 3.39Å
363N37.2Very low50.2Low101 Ų101140.5 Ų140.554%0.5470%0.697SS.*  trans-92.7100.5172.1-88.1-38000108.3V361 K365V361-N363 HydrophobicContact CG1-CB 3.94Å; V361-N363 WeakPolarHBondContact CG1-ND2 3.16Å; V361-N363 PolarHBondContact O-N 2.78Å; N363-K365 HydrophobicContact CB-CD 4.42Å; N363-K365 HydrophobicContact CB-CG 4.14Å; N363-K365 PolarHBondContact O-N 3.39Å
364R38.7Very low51.5Low247 Ų247137.1 Ų137.193%0.93268%0.679SS**  trans-70.954.1159-73.4-174.5174-177-1.7110.7R366R364-R366 PolarHBondContact O-N 2.94Å; R364-R366 VanDerWaalsContact O-N 3.15Å
365K46.2Very low52.7Low161 Ų161135.9 Ų135.970%0.766%0.664SS**  trans-62.1113.4163.3-80.5177.1178.2-172.50106.2N363 L367N363-K365 HydrophobicContact CB-CD 4.42Å; N363-K365 HydrophobicContact CB-CG 4.14Å; N363-K365 PolarHBondContact O-N 3.39Å; K365-L367 PolarHBondContact O-N 2.92Å
366R44.9Very low53.6Low233 Ų233135 Ų13588%0.87966%0.659SS**  trans-54.5122.5166-68.6175.9170.9179.7-5.1106.6R364 Y368R364-R366 PolarHBondContact O-N 2.94Å; R364-R366 VanDerWaalsContact O-N 3.15Å; R366-Y368 PolarHBondContact O-N 3.13Å
367L50.4Low54.7Low129 Ų129134.9 Ų134.968%0.67566%0.656SS**  trans-63.2106.7170.2-101.974.7000107.1K365 F389K365-L367 PolarHBondContact O-N 2.92Å; L367-F389 HydrophobicContact CD2-CE2 3.92Å; L367-F389 HydrophobicContact CD2-CZ 3.8Å
368Y48.7Very low55.2Low207 Ų207133.2 Ų133.281%0.81264%0.638SS**  trans-90.7105.4176.2-146-85.9000107.1R366 S370R366-Y368 PolarHBondContact O-N 3.13Å; Y368-S370 PolarHBondContact O-N 2.93Å
369F58.9Low56Low121 Ų121134.1 Ų134.153%0.53164%0.635SS.*  trans-71.9111.2170.4-82.7-87.5000108.3F374 F389F369-F374 HydrophobicContact CB-CE2 4.2Å; F369-F374 AromaticContact CD1-CE2 3.76Å; F369-F374 HydrophobicContact CD1-CE2 3.76Å; F369-F374 AromaticContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CE1-CZ 4.13Å; F369-F374 HydrophobicContact CG-CE2 4.34Å; F369-F374 HydrophobicContact CG-CZ 4.42Å; F369-F389 HydrophobicContact CE1-CE1 4.38Å; F369-F389 HydrophobicContact CZ-CE1 4.26Å; F369-F389 HydrophobicContact CZ-CZ 4.48Å
370S60.6Low57.3Low41 Ų41132.2 Ų132.229%0.28763%0.629SS.*  trans-64.8124.8165.2-47.20000108.2Y368 E372 F373Y368-S370 PolarHBondContact O-N 2.93Å; S370-E372 PolarHBondContact O-N 3.02Å; S370-E372 VanDerWaalsContact O-N 3.17Å; S370-F373 WeakPolarHBondContact O-CD2 3.37Å; S370-F373 PolarHBondContact O-N 2.78Å; S370-F373 VanDerWaalsContact O-N 3.13Å
371P71.6Confident59.1Low102 Ų102128.5 Ų128.566%0.66262%0.624SS**G310 helixtrans-62.7-22.8179.924.3-33000112.5F373 F374P371-F373 PolarHBondContact O-N 3.15Å; P371-F373 VanDerWaalsContact O-N 3.11Å; P371-F374 WeakPolarHBondContact O-CB 3.45Å; P371-F374 PolarHBondContact O-N 3.37Å
372E66Low60.4Low116 Ų116125.8 Ų125.854%0.54261%0.608SS.*G310 helixtrans-54.4-23.9172.4-63.2168.2-139.400114.2S370 F374 E375 K378S370-E372 PolarHBondContact O-N 3.02Å; S370-E372 VanDerWaalsContact O-N 3.17Å; E372-F374 PolarHBondContact O-N 3.18Å; E372-E375 WeakPolarHBondContact CA-OE1 3.24Å; E372-K378 WeakPolarHBondContact O-CD 3.32Å
373F62.9Low62.2Low120 Ų120121 Ų12153%0.52659%0.585SS.*G310 helixtrans-77.2-5.1175.1-63.4-58.4000113.7S370 P371S370-F373 WeakPolarHBondContact O-CD2 3.37Å; S370-F373 PolarHBondContact O-N 2.78Å; S370-F373 VanDerWaalsContact O-N 3.13Å; P371-F373 PolarHBondContact O-N 3.15Å; P371-F373 VanDerWaalsContact O-N 3.11Å
374F67.7Low64.2Low111 Ų111121 Ų12149%0.48759%0.592SS.*G310 helixtrans-106.29.7178.6-61.1-96.5000112.9F369 P371 E372 M379F369-F374 HydrophobicContact CB-CE2 4.2Å; F369-F374 AromaticContact CD1-CE2 3.76Å; F369-F374 HydrophobicContact CD1-CE2 3.76Å; F369-F374 AromaticContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CE1-CZ 4.13Å; F369-F374 HydrophobicContact CG-CE2 4.34Å; F369-F374 HydrophobicContact CG-CZ 4.42Å; P371-F374 WeakPolarHBondContact O-CB 3.45Å; P371-F374 PolarHBondContact O-N 3.37Å; E372-F374 PolarHBondContact O-N 3.18Å; F374-M379 HydrophobicContact CB-CE 3.76Å; F374-M379 HydrophobicContact CD1-CE 3.63Å; F374-M379 HydrophobicContact CG-CE 4.13Å
375E73.7Confident66Low77 Ų77116.8 Ų116.836%0.3658%0.582SS.*SBendtrans-66.3137.4170.8-68.7166.1-153.700110.6E372 E377 K378 M379E372-E375 WeakPolarHBondContact CA-OE1 3.24Å; E375-E377 VanDerWaalsContact C-N 3.27Å; E375-E377 PolarHBondContact O-N 3.28Å; E375-E377 VanDerWaalsContact O-N 3.15Å; E375-K378 HydrophobicContact CB-CB 4.47Å; E375-K378 HydrophobicContact CB-CD 4.22Å; E375-K378 CarbonylContact O-C 3.5Å; E375-K378 PolarHBondContact O-N 2.95Å; E375-K378 IonicContact OE1-NZ 3.03Å; E375-K378 PolarHBondContact OE1-NZ 2.96Å; E375-K378 WeakPolarHBondContact OE2-CD 3.12Å; E375-K378 WeakPolarHBondContact OE2-CE 3.4Å; E375-K378 IonicContact OE2-NZ 2.68Å; E375-K378 PolarHBondContact OE2-NZ 2.91Å; E375-M379 PolarHBondContact O-N 3.3Å
376P74.4Confident67.4Low107 Ų107110.7 Ų110.770%0.69556%0.561SS**Hα-helixtrans-55.2-36.2-174.4-29.436.1000115M379 A380P376-M379 PolarHBondContact O-N 2.81Å; P376-A380 WeakPolarHBondContact O-CB 3.43Å; P376-A380 PolarHBondContact O-N 3.44Å
377E71.7Confident69Low164 Ų164104.5 Ų104.577%0.76654%0.542SS*.Hα-helixtrans-67.6-40178.3-59.1-174.7162.600112.1E375 M379 A380 N381E375-E377 VanDerWaalsContact C-N 3.27Å; E375-E377 PolarHBondContact O-N 3.28Å; E375-E377 VanDerWaalsContact O-N 3.15Å; E377-M379 VanDerWaalsContact C-N 3.34Å; E377-A380 PolarHBondContact O-N 2.98Å; E377-N381 PolarHBondContact O-N 2.9Å
378K66.6Low70.5Confident78 Ų78101.3 Ų101.334%0.33953%0.534SS..Hα-helixtrans-77.3-19.6176.3-66.7166.8-176.3158.90112.4E372 E375 N381 P382E372-K378 WeakPolarHBondContact O-CD 3.32Å; E375-K378 HydrophobicContact CB-CB 4.47Å; E375-K378 HydrophobicContact CB-CD 4.22Å; E375-K378 CarbonylContact O-C 3.5Å; E375-K378 PolarHBondContact O-N 2.95Å; E375-K378 IonicContact OE1-NZ 3.03Å; E375-K378 PolarHBondContact OE1-NZ 2.96Å; E375-K378 WeakPolarHBondContact OE2-CD 3.12Å; E375-K378 WeakPolarHBondContact OE2-CE 3.4Å; E375-K378 IonicContact OE2-NZ 2.68Å; E375-K378 PolarHBondContact OE2-NZ 2.91Å; K378-N381 CarbonylContact O-C 3.54Å; K378-P382 WeakPolarHBondContact O-CA 3.34Å
379M68.1Low71.9Confident112 Ų11294.5 Ų94.555%0.55251%0.509SS*.Hα-helixtrans-75.8-34.7165.1-70.5-159.7178.700112.7F374 E375 P376 E377F374-M379 HydrophobicContact CB-CE 3.76Å; F374-M379 HydrophobicContact CD1-CE 3.63Å; F374-M379 HydrophobicContact CG-CE 4.13Å; E375-M379 PolarHBondContact O-N 3.3Å; P376-M379 PolarHBondContact O-N 2.81Å; E377-M379 VanDerWaalsContact C-N 3.34Å
380A74.2Confident73Confident74 Ų7492.3 Ų92.361%0.61250%0.503SS*.Hα-helixtrans-70.5-37.3179.800000112.5P376 E377P376-A380 WeakPolarHBondContact O-CB 3.43Å; P376-A380 PolarHBondContact O-N 3.44Å; E377-A380 PolarHBondContact O-N 2.98Å
381N74.9Confident74.2Confident136 Ų13695 Ų9573%0.72752%0.517SS*.SBendtrans-127.286.2171-76.1-58.5000110.1E377 K378E377-N381 PolarHBondContact O-N 2.9Å; K378-N381 CarbonylContact O-C 3.54Å
382P72.4Confident74.9Confident44 Ų4495.8 Ų95.829%0.28651%0.512SS..  trans-64.4135.4179.126.3-34.2000111.3K378 A386 E387K378-P382 WeakPolarHBondContact O-CA 3.34Å; P382-A386 HydrophobicContact CB-CB 4.35Å; P382-E387 HydrophobicContact CB-CG 4.08Å; P382-E387 HydrophobicContact CG-CG 3.79Å
383P77.3Confident75.8Confident59 Ų5992.4 Ų92.438%0.38350%0.499SS..  trans-58.4147.3172.5-25.434.7000111.5H385 A386 E387P383-H385 PolarHBondContact O-N 2.87Å; P383-A386 WeakPolarHBondContact O-CA 3.47Å; P383-A386 VanDerWaalsContact O-CB 3.32Å; P383-A386 WeakPolarHBondContact O-CB 3.42Å; P383-A386 PolarHBondContact O-N 2.87Å; P383-E387 PolarHBondContact O-N 2.89Å
384P78Confident77Confident103 Ų10394.2 Ų94.267%0.66950%0.502SS*.Hα-helixtrans-56.1-28.4-174.8-29.535.8000115.2E387 A388P384-E387 PolarHBondContact O-N 3.26Å; P384-A388 PolarHBondContact O-N 3.36Å
385H76.7Confident78Confident158 Ų15892.3 Ų92.373%0.73150%0.503SS*.Hα-helixtrans-69.1-32.7173.7-170.6-53.8000112.7P383 F389P383-H385 PolarHBondContact O-N 2.87Å; H385-F389 WeakPolarHBondContact O-CB 3.32Å; H385-F389 PolarHBondContact O-N 3.12Å; H385-F389 VanDerWaalsContact O-N 3.16Å
386A75.5Confident78.4Confident32 Ų3294.1 Ų94.126%0.26451%0.512SS..Hα-helixtrans-72-38.5174.100000111P382 P383 F389 L390P382-A386 HydrophobicContact CB-CB 4.35Å; P383-A386 WeakPolarHBondContact O-CA 3.47Å; P383-A386 VanDerWaalsContact O-CB 3.32Å; P383-A386 WeakPolarHBondContact O-CB 3.42Å; P383-A386 PolarHBondContact O-N 2.87Å; A386-F389 PolarHBondContact O-N 2.81Å; A386-L390 WeakPolarHBondContact O-CB 3.33Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.02Å; A386-L390 PolarHBondContact O-N 3.34Å
387E79.1Confident78.9Confident104 Ų10493 Ų9349%0.48650%0.5SS..Hα-helixtrans-61.2-49173.7-60.5-165.7123.300112P382 P383 P384 F389 L390 V391P382-E387 HydrophobicContact CB-CG 4.08Å; P382-E387 HydrophobicContact CG-CG 3.79Å; P383-E387 PolarHBondContact O-N 2.89Å; P384-E387 PolarHBondContact O-N 3.26Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.43Å; E387-L390 PolarHBondContact O-N 3.05Å; E387-L390 VanDerWaalsContact O-N 3.14Å; E387-V391 WeakPolarHBondContact O-CG2 3.38Å; E387-V391 PolarHBondContact O-N 3.36Å
388A81.5Confident79.6Confident61 Ų6188.9 Ų88.950%0.50448%0.483SS..Hα-helixtrans-57-43.1176.400000112.1P384 V391 E392P384-A388 PolarHBondContact O-N 3.36Å; A388-V391 PolarHBondContact O-N 2.82Å; A388-E392 PolarHBondContact O-N 2.84Å
389F79Confident80.2Confident65 Ų6589.7 Ų89.729%0.28549%0.489SS..Hα-helixtrans-64.7-41.2175.2177.4-108.8000112.7L367 F369 H385 A386 E387 V391 E392 V393L367-F389 HydrophobicContact CD2-CE2 3.92Å; L367-F389 HydrophobicContact CD2-CZ 3.8Å; F369-F389 HydrophobicContact CE1-CE1 4.38Å; F369-F389 HydrophobicContact CZ-CE1 4.26Å; F369-F389 HydrophobicContact CZ-CZ 4.48Å; H385-F389 WeakPolarHBondContact O-CB 3.32Å; H385-F389 PolarHBondContact O-N 3.12Å; H385-F389 VanDerWaalsContact O-N 3.16Å; A386-F389 PolarHBondContact O-N 2.81Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.43Å; F389-V391 VanDerWaalsContact C-N 3.3Å; F389-V391 PolarHBondContact O-N 3.25Å; F389-E392 PolarHBondContact O-N 2.98Å; F389-V393 HydrophobicContact CD1-CG2 4.26Å; F389-V393 HydrophobicContact CD2-CG2 4.19Å; F389-V393 HydrophobicContact CE1-CG2 3.84Å; F389-V393 HydrophobicContact CE2-CG2 3.76Å; F389-V393 HydrophobicContact CG-CG2 4.43Å; F389-V393 HydrophobicContact CZ-CG2 3.58Å; F389-V393 WeakPolarHBondContact O-CB 3.5Å; F389-V393 WeakPolarHBondContact O-CG2 3.38Å; F389-V393 PolarHBondContact O-N 2.93Å
390L81.6Confident80.8Confident75 Ų7586.5 Ų86.539%0.39348%0.48SS..Hα-helixtrans-65-33.1175.9-72.8171.4000112.4A386 E387 R394A386-L390 WeakPolarHBondContact O-CB 3.33Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.02Å; A386-L390 PolarHBondContact O-N 3.34Å; E387-L390 PolarHBondContact O-N 3.05Å; E387-L390 VanDerWaalsContact O-N 3.14Å; L390-R394 WeakPolarHBondContact O-CB 3.26Å; L390-R394 WeakPolarHBondContact O-CD 3.44Å; L390-R394 WeakPolarHBondContact O-CG 3.5Å; L390-R394 PolarHBondContact O-N 3.46Å
391V85.7Confident81.3Confident96 Ų9687.7 Ų87.758%0.58247%0.472SS*.Hα-helixtrans-67.3-44.6171.9172.30000111.2E387 A388 F389 R394 S395E387-V391 WeakPolarHBondContact O-CG2 3.38Å; E387-V391 PolarHBondContact O-N 3.36Å; A388-V391 PolarHBondContact O-N 2.82Å; F389-V391 VanDerWaalsContact C-N 3.3Å; F389-V391 PolarHBondContact O-N 3.25Å; V391-R394 PolarHBondContact O-N 2.89Å; V391-S395 WeakPolarHBondContact O-CB 2.93Å; V391-S395 PolarHBondContact O-N 2.85Å
392E85.3Confident81.5Confident119 Ų11986 Ų8656%0.55646%0.463SS*.Hα-helixtrans-61.3-46.8175.7-173.1178.8-170.300111.8A388 F389 R394 S395 M396A388-E392 PolarHBondContact O-N 2.84Å; F389-E392 PolarHBondContact O-N 2.98Å; E392-R394 PolarHBondContact O-N 2.87Å; E392-S395 WeakPolarHBondContact O-CB 3.4Å; E392-S395 PolarHBondContact O-N 3.25Å; E392-M396 HydrophobicContact CG-CE 4.39Å; E392-M396 WeakPolarHBondContact O-CB 3.39Å; E392-M396 PolarHBondContact O-N 3.39Å
393V85.3Confident81.7Confident46 Ų4692.1 Ų92.128%0.27948%0.48SS..Hα-helixtrans-62-42.7178.1170.10000111.6F389 M396 I397F389-V393 HydrophobicContact CD1-CG2 4.26Å; F389-V393 HydrophobicContact CD2-CG2 4.19Å; F389-V393 HydrophobicContact CE1-CG2 3.84Å; F389-V393 HydrophobicContact CE2-CG2 3.76Å; F389-V393 HydrophobicContact CG-CG2 4.43Å; F389-V393 HydrophobicContact CZ-CG2 3.58Å; F389-V393 WeakPolarHBondContact O-CB 3.5Å; F389-V393 WeakPolarHBondContact O-CG2 3.38Å; F389-V393 PolarHBondContact O-N 2.93Å; V393-M396 PolarHBondContact O-N 3.01Å; V393-I397 HydrophobicContact CG1-CD1 3.77Å; V393-I397 HydrophobicContact CG1-CG1 4.45Å; V393-I397 WeakPolarHBondContact O-CB 3.38Å; V393-I397 VanDerWaalsContact O-CG1 3.28Å; V393-I397 WeakPolarHBondContact O-CG1 3.37Å; V393-I397 PolarHBondContact O-N 2.85Å
394R89.2Confident81.5Confident158 Ų15895.2 Ų95.260%0.59649%0.492SS*.Hα-helixtrans-61.5-46.8174.9-75.8167.6179.9151-0.5111.6L390 V391 E392 M396 I397 D398L390-R394 WeakPolarHBondContact O-CB 3.26Å; L390-R394 WeakPolarHBondContact O-CD 3.44Å; L390-R394 WeakPolarHBondContact O-CG 3.5Å; L390-R394 PolarHBondContact O-N 3.46Å; V391-R394 PolarHBondContact O-N 2.89Å; E392-R394 PolarHBondContact O-N 2.87Å; R394-M396 VanDerWaalsContact C-N 3.31Å; R394-M396 PolarHBondContact O-N 3.01Å; R394-I397 PolarHBondContact O-N 2.9Å; R394-D398 PolarHBondContact O-N 2.85Å
395S89Confident81.4Confident70 Ų7099.6 Ų99.649%0.4950%0.496SS..Hα-helixtrans-56.9-43.7175-178.40000112.1V391 E392 D398 M399V391-S395 WeakPolarHBondContact O-CB 2.93Å; V391-S395 PolarHBondContact O-N 2.85Å; E392-S395 WeakPolarHBondContact O-CB 3.4Å; E392-S395 PolarHBondContact O-N 3.25Å; S395-D398 PolarHBondContact O-N 3.48Å; S395-M399 WeakPolarHBondContact O-CB 3.35Å; S395-M399 PolarHBondContact O-N 3.3Å
396M81.5Confident81.1Confident115 Ų11595.3 Ų95.357%0.56749%0.494SS*.Hα-helixtrans-66.6-39.2178.1-156.5-177.4-53.900112.5E392 V393 R394 A400E392-M396 HydrophobicContact CG-CE 4.39Å; E392-M396 WeakPolarHBondContact O-CB 3.39Å; E392-M396 PolarHBondContact O-N 3.39Å; V393-M396 PolarHBondContact O-N 3.01Å; R394-M396 VanDerWaalsContact C-N 3.31Å; R394-M396 PolarHBondContact O-N 3.01Å; M396-A400 WeakPolarHBondContact O-CB 3.42Å; M396-A400 PolarHBondContact O-N 2.83Å
397I83.8Confident80.2Confident85 Ų85103.2 Ų103.244%0.43652%0.517SS..Hα-helixtrans-64.9-44174.8-73167.1000111.2V393 R394 A400 K401V393-I397 HydrophobicContact CG1-CD1 3.77Å; V393-I397 HydrophobicContact CG1-CG1 4.45Å; V393-I397 WeakPolarHBondContact O-CB 3.38Å; V393-I397 VanDerWaalsContact O-CG1 3.28Å; V393-I397 WeakPolarHBondContact O-CG1 3.37Å; V393-I397 PolarHBondContact O-N 2.85Å; R394-I397 PolarHBondContact O-N 2.9Å; I397-A400 CarbonylContact O-C 3.05Å; I397-A400 WeakPolarHBondContact O-CB 3.47Å; I397-A400 PolarHBondContact O-N 3.41Å; I397-K401 HydrophobicContact CG2-CD 4.48Å; I397-K401 WeakPolarHBondContact O-CG 3.32Å; I397-K401 PolarHBondContact O-N 2.88Å
398D87Confident78.7Confident76 Ų76109.6 Ų109.641%0.40654%0.536SS..Hα-helixtrans-73.7-31.8-179.9-71.4-27.8000112.1R394 S395 A400 K401 N402R394-D398 PolarHBondContact O-N 2.85Å; S395-D398 PolarHBondContact O-N 3.48Å; D398-A400 VanDerWaalsContact C-N 3.31Å; D398-A400 PolarHBondContact O-N 3.22Å; D398-K401 PolarHBondContact O-N 2.88Å; D398-K401 WeakPolarHBondContact OD1-CD 3.26Å; D398-K401 IonicContact OD1-NZ 2.77Å; D398-K401 PolarHBondContact OD1-NZ 3.23Å; D398-N402 WeakPolarHBondContact O-CB 3.08Å; D398-N402 VanDerWaalsContact O-CG 3.27Å; D398-N402 PolarHBondContact O-N 3.01Å; D398-N402 PolarHBondContact O-ND2 3.41Å
399M80.3Confident77Confident96 Ų96116.4 Ų116.447%0.47355%0.55SS.*Hα-helixtrans-63.2-37.3167.7-161.2-172.8-53.900111.8S395 R403S395-M399 WeakPolarHBondContact O-CB 3.35Å; S395-M399 PolarHBondContact O-N 3.3Å; M399-R403 VanDerWaalsContact O-CG 3.3Å; M399-R403 WeakPolarHBondContact O-CG 3.45Å; M399-R403 PolarHBondContact O-N 3.42Å
400A78.8Confident75.8Confident44 Ų44118.4 Ų118.436%0.36457%0.568SS.*Hα-helixtrans-68.5-46.7172.900000112.1M396 I397 D398 N402 R403 I404M396-A400 WeakPolarHBondContact O-CB 3.42Å; M396-A400 PolarHBondContact O-N 2.83Å; I397-A400 CarbonylContact O-C 3.05Å; I397-A400 WeakPolarHBondContact O-CB 3.47Å; I397-A400 PolarHBondContact O-N 3.41Å; D398-A400 VanDerWaalsContact C-N 3.31Å; D398-A400 PolarHBondContact O-N 3.22Å; A400-N402 VanDerWaalsContact C-N 3.29Å; A400-N402 PolarHBondContact O-N 3.31Å; A400-R403 PolarHBondContact O-N 2.88Å; A400-R403 VanDerWaalsContact O-N 3.14Å; A400-I404 VanDerWaalsContact O-CG1 3.31Å; A400-I404 WeakPolarHBondContact O-CG1 3.4Å; A400-I404 PolarHBondContact O-N 2.83Å
401K85Confident74.2Confident100 Ų100120 Ų12044%0.43558%0.583SS.*Hα-helixtrans-56.9-41.5174.2-74.1179.4-164.6150.10111.8I397 D398 I404 R405I397-K401 HydrophobicContact CG2-CD 4.48Å; I397-K401 WeakPolarHBondContact O-CG 3.32Å; I397-K401 PolarHBondContact O-N 2.88Å; D398-K401 PolarHBondContact O-N 2.88Å; D398-K401 WeakPolarHBondContact OD1-CD 3.26Å; D398-K401 IonicContact OD1-NZ 2.77Å; D398-K401 PolarHBondContact OD1-NZ 3.23Å; K401-I404 PolarHBondContact O-N 2.97Å; K401-R405 WeakPolarHBondContact O-CB 3.47Å; K401-R405 WeakPolarHBondContact O-CG 3.5Å; K401-R405 PolarHBondContact O-N 2.79Å
402N80.8Confident72.7Confident101 Ų101119 Ų11954%0.5458%0.58SS.*Hα-helixtrans-70.3-34.6178.3-72.3-19.5000112D398 A400 G406D398-N402 WeakPolarHBondContact O-CB 3.08Å; D398-N402 VanDerWaalsContact O-CG 3.27Å; D398-N402 PolarHBondContact O-N 3.01Å; D398-N402 PolarHBondContact O-ND2 3.41Å; A400-N402 VanDerWaalsContact C-N 3.29Å; A400-N402 PolarHBondContact O-N 3.31Å; N402-G406 PolarHBondContact O-N 2.85Å
403R75.5Confident70.9Confident172 Ų172118.5 Ų118.565%0.64958%0.581SS**Hα-helixtrans-66.1-36.3169.8-74.5172.4-179.5-179.82.9112.9M399 A400 R407M399-R403 VanDerWaalsContact O-CG 3.3Å; M399-R403 WeakPolarHBondContact O-CG 3.45Å; M399-R403 PolarHBondContact O-N 3.42Å; A400-R403 PolarHBondContact O-N 2.88Å; A400-R403 VanDerWaalsContact O-N 3.14Å; R403-R407 WeakPolarHBondContact O-CB 3.17Å; R403-R407 PolarHBondContact O-N 2.78Å; R403-R407 VanDerWaalsContact O-N 3.13Å
404I72.7Confident69.7Low123 Ų123121.5 Ų121.563%0.63160%0.599SS**Hα-helixtrans-73.4-43.4176.5-66.6162.7000111A400 K401 R407A400-I404 VanDerWaalsContact O-CG1 3.31Å; A400-I404 WeakPolarHBondContact O-CG1 3.4Å; A400-I404 PolarHBondContact O-N 2.83Å; K401-I404 PolarHBondContact O-N 2.97Å; I404-R407 CarbonylContact O-C 3.57Å; I404-R407 PolarHBondContact O-N 2.94Å
405R77.4Confident68.1Low196 Ų196120.5 Ų120.574%0.7461%0.61SS**Hα-helixtrans-64.8-40.6174.6-75173.9168.5-178.2-5.8112.2K401 R407K401-R405 WeakPolarHBondContact O-CB 3.47Å; K401-R405 WeakPolarHBondContact O-CG 3.5Å; K401-R405 PolarHBondContact O-N 2.79Å; R405-R407 VanDerWaalsContact C-N 3.29Å; R405-R407 PolarHBondContact O-N 2.88Å
406G68.9Low66.1Low67 Ų67122 Ų12269%0.69161%0.611SS**THydrogen-bonded Turntrans-76.9-8.8177.800000114.8N402N402-G406 PolarHBondContact O-N 2.85Å
407R58.2Low65Low199 Ų199121.6 Ų121.675%0.75162%0.617SS**SBendtrans-127.996.3172.6-66.3-175.8175.5-166.3-2.8109.1R403 I404 R405 Y409R403-R407 WeakPolarHBondContact O-CB 3.17Å; R403-R407 PolarHBondContact O-N 2.78Å; R403-R407 VanDerWaalsContact O-N 3.13Å; I404-R407 CarbonylContact O-C 3.57Å; I404-R407 PolarHBondContact O-N 2.94Å; R405-R407 VanDerWaalsContact C-N 3.29Å; R405-R407 PolarHBondContact O-N 2.88Å; R407-Y409 PolarHBondContact O-N 2.03Å
408R46.3Very low63.8Low238 Ų238123.6 Ų123.690%0.89863%0.625SS**  trans-61.377.9164.1-78.1-169.8175.3-160.70.7109.9T410R408-T410 PolarHBondContact O-N 3.08Å; R408-T410 VanDerWaalsContact O-N 3.13Å
409Y45.3Very low62.5Low204 Ų204126.8 Ų126.880%0.864%0.638SS**  trans-8570.9167.9-158.9-88.6000107.7R407 P411R407-Y409 PolarHBondContact O-N 2.03Å; Y409-P411 HydrophobicContact CE1-CB 4.49Å; Y409-P411 VanDerWaalsContact O-CD 3.28Å; Y409-P411 WeakPolarHBondContact O-CD 3.03Å
410T55.1Low60.9Low107 Ų107130.8 Ų130.866%0.65666%0.655SS**  trans-68.1113.6160.742.20000106.8R408 S412R408-T410 PolarHBondContact O-N 3.08Å; R408-T410 VanDerWaalsContact O-N 3.13Å; T410-S412 VanDerWaalsContact C-N 3.34Å; T410-S412 PolarHBondContact O-N 2.74Å
411P48.6Very low59.2Low108 Ų108138 Ų13870%0.70167%0.673SS**  trans-74.290.6177.631.2-33000108.7Y409Y409-P411 HydrophobicContact CE1-CB 4.49Å; Y409-P411 VanDerWaalsContact O-CD 3.28Å; Y409-P411 WeakPolarHBondContact O-CD 3.03Å
412S52.5Low56.9Low76 Ų76137.7 Ų137.753%0.53168%0.684SS.*  trans-68.7144.8167.7530000109.8T410 V414T410-S412 VanDerWaalsContact C-N 3.34Å; T410-S412 PolarHBondContact O-N 2.74Å; S412-V414 PolarHBondContact O-N 3.14Å
413L48.7Very low54.7Low107 Ų107138.8 Ų138.856%0.5669%0.694SS**  trans-80.673.7176.6-80.8157.9000109.2V415 I416 E418L413-V415 PolarHBondContact O-N 3.3Å; L413-I416 HydrophobicContact CB-CB 4.32Å; L413-I416 HydrophobicContact CB-CD1 4.46Å; L413-I416 HydrophobicContact CB-CG1 4.38Å; L413-I416 HydrophobicContact CD1-CD1 4.29Å; L413-I416 PolarHBondContact O-N 3.36Å; L413-E418 PolarHBondContact N-OE1 3.15Å
414V58.9Low52.9Low110 Ų110136.4 Ų136.467%0.66770%0.698SS**THydrogen-bonded Turntrans-52.4-16.3-176.7-179.40000114.5S412S412-V414 PolarHBondContact O-N 3.14Å
415V55.4Low51.1Low136 Ų136135.3 Ų135.382%0.82470%0.702SS**THydrogen-bonded Turntrans-93.2-14.3178.9-172.60000113.2L413L413-V415 PolarHBondContact O-N 3.3Å
416I48.3Very low49Very low101 Ų101130.6 Ų130.652%0.51870%0.698SS.*SBendtrans-106.2127170.6-55.8-177.6000107.6L413 E418L413-I416 HydrophobicContact CB-CB 4.32Å; L413-I416 HydrophobicContact CB-CD1 4.46Å; L413-I416 HydrophobicContact CB-CG1 4.38Å; L413-I416 HydrophobicContact CD1-CD1 4.29Å; L413-I416 PolarHBondContact O-N 3.36Å; I416-E418 VanDerWaalsContact C-N 3.31Å; I416-E418 PolarHBondContact O-N 3.4Å
417P58.3Low47.6Very low107 Ų107131.8 Ų131.870%0.69570%0.702SS**  trans-69.196163.929.6-30.6000107.8E419P417-E419 PolarHBondContact O-N 3.4Å; P417-E419 VanDerWaalsContact O-N 3.12Å
418E59.3Low46.8Very low128 Ų128130.7 Ų130.760%0.59871%0.705SS**  trans-58.2115.1167.3-71.4173.8-153.200107.4L413 I416 E420L413-E418 PolarHBondContact N-OE1 3.15Å; I416-E418 VanDerWaalsContact C-N 3.31Å; I416-E418 PolarHBondContact O-N 3.4Å; E418-E420 PolarHBondContact O-N 3.44Å
419E58.4Low46.6Very low143 Ų143128.2 Ų128.267%0.66871%0.706SS**  trans-59130.4179.954.2-175.8-172.100109.9P417 R421P417-E419 PolarHBondContact O-N 3.4Å; P417-E419 VanDerWaalsContact O-N 3.12Å; E419-R421 VanDerWaalsContact C-N 3.27Å; E419-R421 HydrophobicContact CG-CG 4.48Å; E419-R421 PolarHBondContact O-N 3.23Å; E419-R421 IonicContact OE1-NE 3.72Å; E419-R421 IonicContact OE1-NH2 2.79Å
420E47.7Very low46Very low179 Ų179125 Ų12584%0.83670%0.703SS**  trans-66.690.1174.8-73.9-176.417600109.1E418 S422E418-E420 PolarHBondContact O-N 3.44Å; E420-S422 PolarHBondContact O-N 2.86Å; E420-S422 PolarHBondContact O-OG 3.31Å
421R42.8Very low45.1Very low195 Ų195128.9 Ų128.974%0.73671%0.711SS**  trans-67.483.1162.8-72.1-171.7177.5-161.4-2.2108E419 T423E419-R421 VanDerWaalsContact C-N 3.27Å; E419-R421 HydrophobicContact CG-CG 4.48Å; E419-R421 PolarHBondContact O-N 3.23Å; E419-R421 IonicContact OE1-NE 3.72Å; E419-R421 IonicContact OE1-NH2 2.79Å; R421-T423 PolarHBondContact O-N 3.2Å
422S35.8Very low44.6Very low95 Ų95130.7 Ų130.766%0.66472%0.715SS**  trans-68.267.1175-61.90000111E420 V424E420-S422 PolarHBondContact O-N 2.86Å; E420-S422 PolarHBondContact O-OG 3.31Å; S422-V424 PolarHBondContact O-N 3.45Å
423T35.7Very low44.2Very low123 Ų123135.2 Ų135.276%0.75573%0.728SS**  trans-76.465.2171.856.10000110.2R421R421-T423 PolarHBondContact O-N 3.2Å
424V37.3Very low43.5Very low122 Ų122135.9 Ų135.974%0.73974%0.738SS**  trans-125.382159.5-176.20000103.7S422S422-V424 PolarHBondContact O-N 3.45Å
425S34.6Very low42.3Very low101 Ų101134 Ų13471%0.70674%0.741SS**  53.681.756.8-164.40000110.6
426S33.4Very low41.5Very low96 Ų96135 Ų13567%0.67175%0.747SS**  trans47.686.4160.2-52.10000116.9
427A39.7Very low40.8Very low93 Ų93133.6 Ų133.677%0.76976%0.758SS**  trans-96.389.5144.100000107.6M429A427-M429 PolarHBondContact O-N 3.08Å
428E41Very low39.8Very low175 Ų175136.2 Ų136.282%0.81877%0.765SS**  trans-69106.9172.5-69.5160.4120.900108.6
429M42Very low38.7Very low187 Ų187141.4 Ų141.492%0.92178%0.779SS**  trans-94.489.6162.9-80.5-166.765.500108.7A427 F431A427-M429 PolarHBondContact O-N 3.08Å; M429-F431 PolarHBondContact O-N 3.4Å
430D32.5Very low37.5Very low135 Ų135143.2 Ų143.272%0.72279%0.789SS**  trans-56.3124.6165.3172.918.5000110.5D432D430-D432 PolarHBondContact OD1-N 3.4Å
431F37.3Very low36.9Very low190 Ų190142.2 Ų142.283%0.83379%0.789SS**  trans-152.175.5154.6-157.8-92.2000110.9M429 Q433M429-F431 PolarHBondContact O-N 3.4Å; F431-Q433 PolarHBondContact O-N 2.93Å; F431-Q433 VanDerWaalsContact O-N 3.16Å
432D37.8Very low36.5Very low145 Ų145139.3 Ų139.378%0.77579%0.794SS**  trans-69.6102.1173.8-133.6-9.8000111.6D430D430-D432 PolarHBondContact OD1-N 3.4Å
433Q43Very low36.4Very low172 Ų172138.8 Ų138.880%0.80480%0.803SS**  trans-160.5138.6144.3-115.4162.354.100114F431F431-Q433 PolarHBondContact O-N 2.93Å; F431-Q433 VanDerWaalsContact O-N 3.16Å
434P34.6Very low36.3Very low121 Ų121144.8 Ų144.879%0.78681%0.812SS**  trans-99.4147.3-166.937.1-35000114.8
435G34Very low36.4Very low69 Ų69148 Ų14871%0.71182%0.819SS**  trans82105140.800000118.4
436T38.7Very low36.6Very low157 Ų157151.3 Ų151.396%0.96382%0.824SS**  -162.3145.2120.1130000109
437G32.3Very low36.9Very low72 Ų72152.7 Ų152.774%0.74282%0.821SS**  trans-129131.1-177.800000112.4
438I38.6Very low36.8Very low163 Ų163155.2 Ų155.284%0.83682%0.817SS**  trans-147105.8162.3-84.4131.6000102.5
439R35.7Very low36.6Very low237 Ų237152.2 Ų152.289%0.89481%0.806SS**  67126.578.7-168172.6-174.51483.2112.1
440M33.1Very low36.5Very low180 Ų180150.8 Ų150.889%0.88780%0.802SS**  trans-60.8153.6-179.8-60.1169.817400112.5
441D35.6Very low36.7Very low158 Ų158151.4 Ų151.485%0.84580%0.804SS**  -149.8165.4126.5-135.8-37.1000111.7
442T32.8Very low36.8Very low135 Ų135148.4 Ų148.483%0.82880%0.801SS**  trans-117.9114.1177.349.60000110.9
443G35.6Very low36.6Very low84 Ų84148.7 Ų148.787%0.86680%0.802SS**  trans-112.7153.9-179.600000113.9
444R32.2Very low36.4Very low249 Ų249145.7 Ų145.794%0.9480%0.8SS**  trans-141.2114.1-179173.8-166.3167145.51.5111
445E39Very low36.6Very low190 Ų190149.1 Ų149.189%0.88881%0.805SS**  trans-142.7152.6168.6-62.3175.5153.200105.1
446E39.2Very low36.7Very low170 Ų170149.4 Ų149.479%0.79481%0.808SS**  cis-154.8-167.77-140-173.9-177.900106.4
447M39.4Very low36.7Very low124 Ų124148.5 Ų148.561%0.61180%0.798SS**  cis-159.2142.2-6.6-176.5161.573.500108.5
448E39.3Very low36.8Very low146 Ų146155.1 Ų155.168%0.68280%0.8SS**  trans59160.4158.4-74-176.8134.400120.6
449N36.4Very low36.9Very low113 Ų113156.8 Ų156.860%0.60480%0.804SS**  cis-156143.7-15.3-115.2-27.9000110.3
450N39.9Very low36.7Very low156 Ų156152.4 Ų152.483%0.83480%0.804SS**  trans159.499.5139.2-83.3-31.5000114.8
451I36.4Very low36.9Very low149 Ų149147.7 Ų147.776%0.76480%0.801SS**  trans-18.4133.1148.6-31-179.1000113.7
452V38.4Very low36.8Very low126 Ų126149.5 Ų149.576%0.76481%0.805SS**  -170.1152.486.3159.70000112.4
453L35.4Very low37.1Very low151 Ų151148.8 Ų148.879%0.79181%0.805SS**  trans-15.3153.6166.1-85.255.6000119
454S38.7Very low37Very low109 Ų109151.2 Ų151.276%0.76280%0.804SS**  cis-152.4-17830.3-151.70000115.5
455Q37.2Very low37.4Very low193 Ų193145.2 Ų145.290%0.90280%0.795SS**  trans-90.1160.2-170.6-61.5162.4-37.100114.5
456G36.7Very low37.2Very low75 Ų75142.2 Ų142.277%0.77378%0.784SS**  trans-177.9120.2168.300000114.1
457D38.1Very low37.2Very low139 Ų139144.6 Ų144.674%0.74379%0.788SS**  trans-56.9142.6-178.6-75.7-82.7000114.8
458R34.7Very low36.9Very low211 Ų211144.3 Ų144.380%0.79679%0.793SS**  78.2103.152.1-170.2-163.3-161165.14.8113.8
459Q41.4Very low36.9Very low198 Ų198145.9 Ų145.993%0.92580%0.8SS**  trans-172.2155.2134.9-106.1166.849.700113.1
460T31Very low36.9Very low144 Ų144143.6 Ų143.688%0.88380%0.798SS**  trans-113.3148.6179.545.80000110.6
461G37.7Very low36.9Very low81 Ų81145.3 Ų145.384%0.83580%0.797SS**  trans-157.2122.917200000112.6
462E33.6Very low36.9Very low196 Ų196146.8 Ų146.892%0.91680%0.798SS**  trans-86.9151.9172.9-64.8160.188.300111
463S39.3Very low36.7Very low120 Ų120144.5 Ų144.584%0.83979%0.792SS**  trans-164.5150.5139.446.40000111.3
464T32Very low36.8Very low135 Ų135145.4 Ų145.483%0.82879%0.793SS**  trans-119.3134.9-174.9-48.20000109.6
465V41.9Very low36.6Very low124 Ų124147.5 Ų147.575%0.75280%0.795SS**  trans-139.9130162.5-170.40000109.5Y467V465-Y467 HydrophobicContact CG1-CD2 4.28Å; V465-Y467 HydrophobicContact CG1-CE2 3.99Å
466D33.8Very low36.6Very low126 Ų126146.6 Ų146.667%0.67480%0.797SS**  trans-100.4148.9-179.9-149.7-29000109.7
467Y39.3Very low36.4Very low221 Ų221150.3 Ų150.387%0.86779%0.794SS**  trans-148.1131.1159.3-89.7-66.2000111.7V465V465-Y467 HydrophobicContact CG1-CD2 4.28Å; V465-Y467 HydrophobicContact CG1-CE2 3.99Å
468T32.7Very low36.1Very low117 Ų117150.3 Ų150.372%0.71879%0.79SS**  trans-116.1-175.6-164.1-220000111.5
469Q39.5Very low35.9Very low179 Ų179148 Ų14884%0.83679%0.787SS**  trans93.2142.3165.8-57.2-172.743.500116.7
470A38Very low35.2Very low66 Ų66146.5 Ų146.555%0.54578%0.784SS.*  cis-171160.6-9.900000114.7
471K39Very low35.1Very low191 Ų191145 Ų14583%0.8378%0.777SS**  trans68.3153.8155.8-64.9148.2-174174.10116.6
472K35.8Very low34.5Very low181 Ų181151 Ų15179%0.78778%0.78SS**  cis-156.8133.3-12.5-118-163.4164.3-156.10105.3
473A34Very low34.3Very low77 Ų77151 Ų15164%0.63678%0.777SS**  85.9160.675.200000114.1
474E38.5Very low33.9Very low171 Ų171153.5 Ų153.580%0.79978%0.775SS**  trans72.199.1-166.8-64.1164.9-167.700111.7
475D34.7Very low33.8Very low152 Ų152154.5 Ų154.581%0.81377%0.774SS**  cis83.597.345.9-57.8-50.1000113.3
476D37Very low33.3Very low174 Ų174154.2 Ų154.293%0.9377%0.773SS**  trans-152.7153.8137.2-136-23.6000111.6
477E33.1Very low33.1Very low154 Ų154160 Ų16072%0.7279%0.785SS**  trans-101.8156.9-149.2-166.6177.895.800115.9
478Q30.7Very low32.9Very low139 Ų139158.2 Ų158.265%0.6578%0.784SS**  trans88.8139.9148.1-106.2177.277.700122.6
479Q30.6Very low32.9Very low161 Ų161155.4 Ų155.475%0.75278%0.779SS**  trans76.794.7153.8-63.4-17847.500121.3
480I27.9Very low32.4Very low168 Ų168154 Ų15486%0.86278%0.782SS**  trans-74.1136.9154.5-59.7157.9000110.2
481P27Very low32.1Very low112 Ų112157 Ų15773%0.72779%0.793SS**  trans-128.7129.3150.935.1-23.2000113.7K483P481-K483 PolarHBondContact O-N 2.92Å
482K27Very low31.7Very low208 Ų208152.6 Ų152.690%0.90479%0.787SS**  trans-68124.5161.2-63.7170.9179.91740108.6
483K28.6Very low31.6Very low194 Ų194154 Ų15484%0.84379%0.788SS**  trans-147.394.1166.7-140.7167.7-174.5178.20110.2P481P481-K483 PolarHBondContact O-N 2.92Å
484H30.2Very low32.2Very low174 Ų174154.1 Ų154.181%0.80678%0.781SS**  76.1115.782.5-150.4-62.7000112.7
485I29.6Very low32.9Very low156 Ų156149.7 Ų149.780%0.877%0.767SS**  trans-60.5132.2174.4-68.9163.8000109.4
486T32.2Very low33.7Very low118 Ų118150.6 Ų150.672%0.72477%0.767SS**  trans-104.9135.8165.938.90000109.8
487R29.4Very low34.5Very low247 Ų247151.4 Ų151.493%0.93276%0.762SS**  trans-12174.6-176.4-170.7-176.2-177-176.61.9109.9
488E34.7Very low35.6Very low183 Ų183147.3 Ų147.386%0.85575%0.747SS**  trans-95148.6170.2-62.9178.2-170.900109
489G32.7Very low36.6Very low58 Ų58142.8 Ų142.860%0.59873%0.734SS**  cis164.380.5-0.200000109V491G489-V491 PolarHBondContact O-N 3.34Å
490V29.6Very low37.4Very low151 Ų151140.5 Ų140.592%0.91572%0.723SS**  trans-73.592.2-170-176.90000111.2S492V490-S492 PolarHBondContact O-N 2.94Å
491V31.1Very low38.8Very low127 Ų127139.8 Ų139.877%0.7771%0.709SS**  trans-83.699172.2-178.30000109.5G489G489-V491 PolarHBondContact O-N 3.34Å
492S31.1Very low40Very low100 Ų100139 Ų13970%0.69970%0.699SS**  trans-80.4118.2169.7-167.40000110.1V490 V494V490-S492 PolarHBondContact O-N 2.94Å; S492-V494 PolarHBondContact O-N 3.33Å; S492-V494 VanDerWaalsContact O-N 3.11Å
493Y34.3Very low41.3Very low209 Ų209134.2 Ų134.282%0.8269%0.691SS**  trans-82.189.8-174.4-148.4-86000111.2P495Y493-P495 WeakPolarHBondContact O-CD 3.24Å
494V46.3Very low42.4Very low80 Ų80132.8 Ų132.849%0.48568%0.681SS.*  trans-79.3122.3172.5-1800000109.1S492 E496 V498 A499S492-V494 PolarHBondContact O-N 3.33Å; S492-V494 VanDerWaalsContact O-N 3.11Å; V494-E496 PolarHBondContact O-N 3.26Å; V494-V498 HydrophobicContact CG1-CB 4.11Å; V494-V498 HydrophobicContact CG1-CG1 4.17Å; V494-A499 HydrophobicContact CG1-CB 4.46Å
495P53.9Low43.4Very low78 Ų78130.4 Ų130.451%0.50667%0.67SS.*  trans-61.5137.8178.3-23.234000111.8Y493 K497 V498 A499Y493-P495 WeakPolarHBondContact O-CD 3.24Å; P495-K497 PolarHBondContact O-N 3.44Å; P495-K497 VanDerWaalsContact O-N 3.1Å; P495-V498 HydrophobicContact CB-CG2 4.23Å; P495-V498 HydrophobicContact CG-CG2 4.4Å; P495-V498 WeakPolarHBondContact O-CA 3.44Å; P495-V498 WeakPolarHBondContact O-CB 3.33Å; P495-V498 PolarHBondContact O-N 2.88Å; P495-A499 PolarHBondContact O-N 2.88Å; P495-A499 VanDerWaalsContact O-N 3.12Å
496E50.8Low43.6Very low172 Ų172126.5 Ų126.580%0.80467%0.667SS**Hα-helixtrans-52.2-38.6-174.8-172.6179.4-159.900113.7V494 V498 A499 H500V494-E496 PolarHBondContact O-N 3.26Å; E496-V498 VanDerWaalsContact C-N 3.3Å; E496-V498 PolarHBondContact O-N 3.46Å; E496-A499 PolarHBondContact O-N 3.49Å; E496-H500 PolarHBondContact O-N 3.37Å
497K53.7Low43.9Very low190 Ų190130.1 Ų130.183%0.82668%0.676SS**Hα-helixtrans-64.4-30.6175.6-66.4-175.3179.4179.20113.5P495 W501P495-K497 PolarHBondContact O-N 3.44Å; P495-K497 VanDerWaalsContact O-N 3.1Å; K497-W501 WeakPolarHBondContact O-CB 3.49Å; K497-W501 PolarHBondContact O-N 3.43Å; K497-W501 VanDerWaalsContact O-N 3.1Å
498V55.7Low44.1Very low68 Ų68121.9 Ų121.941%0.41267%0.668SS.*Hα-helixtrans-77.3-41.4175.8-178.80000110.3V494 P495 E496 H500 W501 L502V494-V498 HydrophobicContact CG1-CB 4.11Å; V494-V498 HydrophobicContact CG1-CG1 4.17Å; P495-V498 HydrophobicContact CB-CG2 4.23Å; P495-V498 HydrophobicContact CG-CG2 4.4Å; P495-V498 WeakPolarHBondContact O-CA 3.44Å; P495-V498 WeakPolarHBondContact O-CB 3.33Å; P495-V498 PolarHBondContact O-N 2.88Å; E496-V498 VanDerWaalsContact C-N 3.3Å; E496-V498 PolarHBondContact O-N 3.46Å; V498-H500 PolarHBondContact O-N 3.21Å; V498-W501 PolarHBondContact O-N 2.93Å; V498-L502 HydrophobicContact CG1-CD1 4.09Å; V498-L502 HydrophobicContact CG1-CG 4.42Å; V498-L502 WeakPolarHBondContact O-CG 3.44Å; V498-L502 PolarHBondContact O-N 3.14Å
499A52.8Low44Very low44 Ų44124.5 Ų124.536%0.36467%0.67SS.*Hα-helixtrans-57.2-4917200000110.9V494 P495 E496 W501 L502 S503V494-A499 HydrophobicContact CG1-CB 4.46Å; P495-A499 PolarHBondContact O-N 2.88Å; P495-A499 VanDerWaalsContact O-N 3.12Å; E496-A499 PolarHBondContact O-N 3.49Å; A499-W501 VanDerWaalsContact C-N 3.3Å; A499-W501 PolarHBondContact O-N 3.23Å; A499-L502 PolarHBondContact O-N 2.78Å; A499-S503 WeakPolarHBondContact O-CB 3.49Å; A499-S503 PolarHBondContact O-N 3.18Å; A499-S503 PolarHBondContact O-OG 3.31Å; A499-S503 VanDerWaalsContact O-OG 3.1Å
500H47.5Very low44Very low114 Ų114131.2 Ų131.253%0.52869%0.686SS.*Hα-helixtrans-65-30.6177.7-163.9-8.6000113.2E496 V498 R504E496-H500 PolarHBondContact O-N 3.37Å; V498-H500 PolarHBondContact O-N 3.21Å; H500-R504 PolarHBondContact CE1-NH2 3.49Å; H500-R504 PolarHBondContact NE2-NH2 2.88Å; H500-R504 VanDerWaalsContact NE2-NH2 3.19Å; H500-R504 WeakPolarHBondContact O-CB 3.47Å; H500-R504 PolarHBondContact O-N 2.67Å
501W56.2Low44.2Very low152 Ų152128.4 Ų128.458%0.57668%0.679SS**Hα-helixtrans-70.9-45.8174.7-175.181000112.1K497 V498 A499 S503 R504 H505K497-W501 WeakPolarHBondContact O-CB 3.49Å; K497-W501 PolarHBondContact O-N 3.43Å; K497-W501 VanDerWaalsContact O-N 3.1Å; V498-W501 PolarHBondContact O-N 2.93Å; A499-W501 VanDerWaalsContact C-N 3.3Å; A499-W501 PolarHBondContact O-N 3.23Å; W501-S503 PolarHBondContact O-N 3.22Å; W501-R504 PolarHBondContact O-N 2.9Å; W501-H505 AromaticContact CD1-CD2 3.77Å; W501-H505 AromaticContact CE2-CD2 3.61Å; W501-H505 AromaticContact NE1-CD2 3.35Å; W501-H505 PolarHBondContact NE1-CD2 3.35Å; W501-H505 VanDerWaalsContact NE1-CD2 3.35Å; W501-H505 AromaticContact NE1-NE2 3.62Å; W501-H505 PolarHBondContact O-N 3.48Å
502L52.7Low44.3Very low97 Ų97128.6 Ų128.651%0.50868%0.682SS.*Hα-helixtrans-60.5-44.5175.9-70169.8000111.3V498 A499 R504 H505 G506V498-L502 HydrophobicContact CG1-CD1 4.09Å; V498-L502 HydrophobicContact CG1-CG 4.42Å; V498-L502 WeakPolarHBondContact O-CG 3.44Å; V498-L502 PolarHBondContact O-N 3.14Å; A499-L502 PolarHBondContact O-N 2.78Å; L502-R504 PolarHBondContact O-N 3.44Å; L502-H505 PolarHBondContact O-N 2.81Å; L502-G506 PolarHBondContact O-N 2.95Å; L502-G506 VanDerWaalsContact O-N 3.15Å
503S54.1Low44.3Very low107 Ų107131.3 Ų131.375%0.74869%0.688SS**Hα-helixtrans-64.3-6.1174-59.60000114.9A499 W501A499-S503 WeakPolarHBondContact O-CB 3.49Å; A499-S503 PolarHBondContact O-N 3.18Å; A499-S503 PolarHBondContact O-OG 3.31Å; A499-S503 VanDerWaalsContact O-OG 3.1Å; W501-S503 PolarHBondContact O-N 3.22Å
504R52.1Low44.1Very low164 Ų164132.2 Ų132.262%0.61969%0.692SS**Hα-helixtrans-111.1-7179.9-151.4-173.2-61.9-161.9-1.3114H500 W501 L502H500-R504 PolarHBondContact CE1-NH2 3.49Å; H500-R504 PolarHBondContact NE2-NH2 2.88Å; H500-R504 VanDerWaalsContact NE2-NH2 3.19Å; H500-R504 WeakPolarHBondContact O-CB 3.47Å; H500-R504 PolarHBondContact O-N 2.67Å; W501-R504 PolarHBondContact O-N 2.9Å; L502-R504 PolarHBondContact O-N 3.44Å
505H50.4Low43.4Very low124 Ų124134.8 Ų134.857%0.57470%0.701SS**Hα-helixtrans-132.54.9-178.7-68.5-65.2000114.1W501 L502 E507W501-H505 AromaticContact CD1-CD2 3.77Å; W501-H505 AromaticContact CE2-CD2 3.61Å; W501-H505 AromaticContact NE1-CD2 3.35Å; W501-H505 PolarHBondContact NE1-CD2 3.35Å; W501-H505 VanDerWaalsContact NE1-CD2 3.35Å; W501-H505 AromaticContact NE1-NE2 3.62Å; W501-H505 PolarHBondContact O-N 3.48Å; L502-H505 PolarHBondContact O-N 2.81Å; H505-E507 VanDerWaalsContact C-N 3.29Å; H505-E507 PolarHBondContact O-N 3.27Å; H505-E507 VanDerWaalsContact O-N 3.11Å
506G35.3Very low42.3Very low73 Ų73138.4 Ų138.475%0.75372%0.717SS**  trans-81.849179.200000115.6L502L502-G506 PolarHBondContact O-N 2.95Å; L502-G506 VanDerWaalsContact O-N 3.15Å
507E37.5Very low41.4Very low194 Ų194140.3 Ų140.391%0.90772%0.716SS**  trans-113.6118.3170.3-77.3-166.3123.400111.7H505H505-E507 VanDerWaalsContact C-N 3.29Å; H505-E507 PolarHBondContact O-N 3.27Å; H505-E507 VanDerWaalsContact O-N 3.11Å
508G32.6Very low40.4Very low74 Ų74138.8 Ų138.876%0.76372%0.717SS**SBendtrans130119.7165.700000115.7
509R33.2Very low39.3Very low239 Ų239144.4 Ų144.490%0.90274%0.741SS**  trans76.280.8164.3-51.9-179.1-172.1177.72.9117.4
510E34.1Very low38.4Very low199 Ų199147.6 Ų147.693%0.9376%0.761SS**  25.3108120.1-63.9168-171.700118.2
511A31.9Very low37.6Very low92 Ų92150.3 Ų150.376%0.7677%0.774SS**  trans-151.3130.4150.400000108.7
512P33.8Very low36.6Very low130 Ų130152.1 Ų152.184%0.84479%0.788SS**PPolyproline II helixtrans-80141.3-171.7-14.330.5000114.1
513L31Very low35.6Very low157 Ų157156.3 Ų156.382%0.82281%0.805SS**PPolyproline II helixtrans-90.1120.8161.1-87.2163.6000109.4
514Y30.4Very low34.4Very low228 Ų228159.1 Ų159.189%0.89481%0.81SS**PPolyproline II helixtrans-83.8117.4158.7-107.9-97.6000108.6
515I31.1Very low33.6Very low135 Ų135159.8 Ų159.869%0.69282%0.82SS**  trans-116.4113162.6-65.4176.6000105.1
516D31.2Very low32.6Very low154 Ų154159 Ų15982%0.82483%0.829SS**  trans-69.7140.8170.8-158.7-10000109.5
517R31.9Very low32.5Very low211 Ų211162.5 Ų162.580%0.79684%0.835SS**  trans-146.271.6-162.7-168.1-158.6163.5175.1-5.2112.2
518D33.7Very low32.2Very low158 Ų158164.8 Ų164.885%0.84584%0.836SS**  trans-127103.9161.9-109.5-31000111.2
519M31.5Very low32Very low187 Ų187164 Ų16492%0.92183%0.827SS**  trans-164.3144.7147.4-92.7-158.182.100107.9
520S34.3Very low32Very low111 Ų111162.4 Ų162.478%0.77683%0.829SS**  trans-78.2147.8-162.744.10000115.3
521E30.6Very low31.9Very low171 Ų171156 Ų15680%0.79982%0.816SS**  trans-71.5126166.4-63179.8119.400110.4
522H34.7Very low32Very low189 Ų189157.7 Ų157.788%0.87582%0.82SS**  trans-157.3146.1145.5-94.2-60.4000111.8
523Q32Very low31.9Very low185 Ų185160 Ų16086%0.86482%0.819SS**  trans65.865.6160.8-153.1167.316.900118.9
524I29.8Very low32.2Very low167 Ų167157.6 Ų157.686%0.85682%0.815SS**  trans-91.4112.6150.9-63.4173.1000108.7
525Q34Very low32.3Very low178 Ų178154.4 Ų154.483%0.83281%0.813SS**  trans-160.8117.9162.2-114.6155.49.500114.7
526S30.4Very low32.5Very low108 Ų108154.9 Ų154.976%0.75582%0.816SS**  trans43.2106.4141.4-178.50000120.9
527V33.4Very low32.5Very low145 Ų145156.1 Ų156.188%0.87981%0.81SS**  -134.7138.5124.1-178.80000108.9
528R30.1Very low32.6Very low243 Ų243154 Ų15492%0.91782%0.815SS**  trans-115.4149.3163.6-69177.9178.4159-1.9108.4
529G29Very low32.5Very low56 Ų56155.3 Ų155.358%0.57781%0.809SS**  trans143.2144.2157.600000114.4
530H34.1Very low32.5Very low206 Ų206156.2 Ų156.295%0.95481%0.808SS**  trans63.7144.4177.9-43.2-82.6000114.7
531G30.7Very low32.4Very low64 Ų64156 Ų15666%0.6681%0.814SS**  cis-175.7137.1-9.700000108.4
532P34.2Very low32.5Very low128 Ų128152.5 Ų152.583%0.83181%0.814SS**  trans-85.6141.1-165.732.7-35000113.4
533H32.3Very low32.3Very low180 Ų180155 Ų15583%0.83382%0.815SS**  trans-133.6118.2165.3-103.3-92.9000112.5
534S36.6Very low32.5Very low105 Ų105157.3 Ų157.373%0.73482%0.818SS**  trans35.4116.2149.551.50000120.7
535N33Very low32.7Very low161 Ų161155.1 Ų155.186%0.86181%0.814SS**  trans-47.2146.3156.9-74.5-55.9000113
536I35.3Very low32.8Very low145 Ų145155.2 Ų155.274%0.74482%0.815SS**  trans-147.9126.9148.9-121.3162.7000110.9
537Y30.8Very low33Very low180 Ų180158.6 Ų158.671%0.70682%0.819SS**  trans50.592.2171.9-58.5-57.5000121.5Y539Y537-Y539 AromaticContact CD1-CD2 3.82Å; Y537-Y539 HydrophobicContact CD1-CD2 3.82Å; Y537-Y539 AromaticContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CE1-CE2 4.21Å; Y537-Y539 HydrophobicContact CG-CD2 4.23Å; Y537-Y539 HydrophobicContact CG-CE2 4.42Å
538N34.5Very low33Very low168 Ų168157.8 Ų157.890%0.89882%0.82SS**  trans-64.9120.8135.9-76.6-43000109.5
539Y32.2Very low33.2Very low184 Ų184149.8 Ų149.872%0.72281%0.812SS**  trans-137.8166.3164.3-103.7-101.1000109.4Y537Y537-Y539 AromaticContact CD1-CD2 3.82Å; Y537-Y539 HydrophobicContact CD1-CD2 3.82Å; Y537-Y539 AromaticContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CE1-CE2 4.21Å; Y537-Y539 HydrophobicContact CG-CD2 4.23Å; Y537-Y539 HydrophobicContact CG-CE2 4.42Å
540F31.1Very low33.4Very low206 Ų206155 Ų15590%0.90483%0.827SS**  trans73.260-178.3-50.9-70.8000117.3
541A32.2Very low33.2Very low107 Ų107151 Ų15188%0.88482%0.816SS**  trans-139.243.1167.400000114.3
542A32.1Very low33.5Very low97 Ų97155.6 Ų155.680%0.80283%0.825SS**  trans-159.3100173.700000114.3
543R31.4Very low33.6Very low241 Ų241156.9 Ų156.991%0.90983%0.825SS**  trans-163.452.4159.4-121.9-177.4-159.1-171.78116.3
544Y34.6Very low33.8Very low235 Ų235152 Ų15292%0.92282%0.824SS**  trans-139.2122.5159.6-90.9-74000110.5
545P34.4Very low33.9Very low120 Ų120156.2 Ų156.278%0.77983%0.831SS**  trans-105.6104.3-176.835.7-29.3000113.5
546Q35.8Very low33.9Very low180 Ų180152.6 Ų152.684%0.84182%0.823SS**  trans-141.2106158.1-67.8-170.5-9.600106.5
547Q34.8Very low33.9Very low180 Ų180152.8 Ų152.884%0.84183%0.826SS**  76.5124.884.8-79.9-169-19.400114.6
548S34.5Very low34.2Very low128 Ų128151.5 Ų151.590%0.89583%0.828SS**  trans59.5127.3163.6550000120.2
549G33.6Very low34.2Very low74 Ų74149 Ų14976%0.76382%0.819SS**  trans141.668147.300000120.1
550L33.5Very low34.1Very low167 Ų167150.3 Ų150.387%0.87482%0.823SS**  trans40.7108.4145.5-67.7162.4000121.3
551T29.9Very low34.2Very low120 Ų120148.4 Ų148.474%0.73682%0.822SS**  trans-14.2141143.652.80000119.9
552L37.4Very low34.1Very low162 Ų162149.8 Ų149.885%0.84882%0.815SS**  -165.1161.4101.5-151.760.8000112.5
553D35.8Very low34.1Very low155 Ų155150 Ų15083%0.82982%0.816SS**  trans-88.5168.6-171.5-48.6-93.5000115.5
554G36.4Very low34Very low78 Ų78143.8 Ų143.880%0.80481%0.81SS**  trans171.1111.416800000117
555H38.4Very low33.8Very low192 Ų192144.6 Ų144.689%0.88981%0.812SS**  trans-48.7133.4-176-74.5-53.5000120.2
556A34.1Very low33.8Very low85 Ų85143.6 Ų143.670%0.70281%0.807SS**  49134.6114.300000124.4
557D35.5Very low33.5Very low150 Ų150144.6 Ų144.680%0.80281%0.809SS**  112.8148.7123.7-119.7-33.1000122.9
558M36.1Very low33.3Very low152 Ų152147.7 Ų147.775%0.74981%0.813SS**  trans70.6106.4160.5-69.9-148.915400125
559T35.3Very low33Very low115 Ų115150.9 Ų150.971%0.70681%0.811SS**  64.199.5128.262.70000123
560R29.1Very low33Very low213 Ų213154.7 Ų154.780%0.80481%0.812SS**  38121.5110.4-170.5-172.2-165.3178.77.7119.1
561N34.1Very low32.9Very low166 Ų166151.6 Ų151.689%0.88880%0.804SS**  trans-146.8150.1146.5-117.6-34.9000112.2
562N29.5Very low33Very low135 Ų135155.2 Ų155.272%0.72281%0.813SS**  trans-104.9146.5-178.5-69.90.2000111
563A32.4Very low32.8Very low102 Ų102150.8 Ų150.884%0.84381%0.807SS**  trans-142.1137.616200000110.5
564S29.1Very low32.6Very low110 Ų110148.2 Ų148.277%0.76980%0.801SS**  trans-137.9133.8-175.356.90000110.9
565W30.8Very low32.3Very low253 Ų253153.6 Ų153.696%0.95880%0.797SS**  trans-135.7167.7174.6-85.888.9000111.5
566S34.6Very low32.1Very low99 Ų99152.2 Ų152.269%0.69279%0.785SS**  trans-118.5156.5-139.158.10000117.1
567K27.9Very low32Very low201 Ų201153.9 Ų153.987%0.87478%0.782SS**  trans-21.4145.7161.3-71.6173.3172.1173.70116.6
568R30.1Very low31.7Very low244 Ų244153.6 Ų153.692%0.92178%0.78SS**  trans-142.8158.2130.7-136.5175.3-73.2-169.1-0.6110.4
569K29.7Very low31.6Very low195 Ų195155 Ų15585%0.84879%0.785SS**  trans-148.2134.6-174.1-168.2-169.4-173.3-167.40108
570I32.2Very low31.3Very low154 Ų154155.6 Ų155.679%0.7979%0.789SS**  trans-138.8152.8173.1-60-177.2000107.6
571S31.8Very low31.4Very low103 Ų103153.1 Ų153.172%0.7279%0.791SS**  trans-154.3123.1-172.953.60000112.8
572E33.3Very low31.2Very low196 Ų196149.6 Ų149.692%0.91678%0.78SS**  trans-148.3158.9172.7-78.9174.3164.700108.1
573G32.8Very low31.5Very low69 Ų69149.7 Ų149.771%0.71179%0.786SS**  cis171.263.2-1.700000117.4
574S31.5Very low31.4Very low101 Ų101150.5 Ų150.571%0.70679%0.785SS**  trans79.1146.1154.3-141.50000121.7
575R30.1Very low31.6Very low191 Ų191149 Ų14972%0.72179%0.787SS**  trans69.1155.7148.3-79.6160.9170.9176.5-1.6119.8
576Y33.1Very low31.7Very low163 Ų163145.5 Ų145.564%0.63978%0.782SS**  cis-148.8153.84-115.8-48.5000112.1
577D33.4Very low31.7Very low120 Ų120151.1 Ų151.164%0.64279%0.794SS**  trans36.9133.9148.7-60.4-14.5000125.1
578N29.4Very low32Very low144 Ų144146.7 Ų146.777%0.7778%0.784SS**  24.1147.1120.6-51.2-24.3000119.1
579Q33.8Very low32.2Very low181 Ų181144.4 Ų144.485%0.84678%0.775SS**  cis-163.4166.544.4-168.4161.3-19.300112.7
580T28.3Very low32.3Very low127 Ų127144.9 Ų144.978%0.77977%0.772SS**  trans-72.8148.117651.60000114.1
581D31.9Very low32.4Very low161 Ų161142.2 Ų142.286%0.86177%0.767SS**  trans-152.6165.9135.4-141.7-24000112.4
582S29.5Very low32.6Very low92 Ų92142.5 Ų142.564%0.64377%0.769SS**  trans-134.3144.8-171.870.60000112.5
583T34.9Very low32.4Very low138 Ų138139 Ų13985%0.84776%0.764SS**  trans-176.8148.6140.817.90000114.7
584S31.1Very low32.5Very low118 Ų118141.8 Ų141.883%0.82577%0.77SS**  trans-0.2136.6157.759.20000122.2
585G33.4Very low32.4Very low80 Ų80142.3 Ų142.383%0.82577%0.773SS**  trans-16596.9157.900000113.7
586Q33.8Very low32.6Very low179 Ų179140.7 Ų140.784%0.83678%0.778SS**  trans-82.6137.6177.5-66.5-178.8-3.600112.1
587F34.2Very low32.5Very low217 Ų217144.4 Ų144.495%0.95279%0.79SS**  trans-137.2137.8153.9-97.2-81.1000111.6
588T34.8Very low32.6Very low108 Ų108144.8 Ų144.866%0.66380%0.797SS**  trans-122.6146.5-174.558.40000111
589R32.5Very low32.9Very low195 Ų195142.3 Ų142.374%0.73680%0.796SS**  152.4135126.3-86.4171.4175.5-152.70.3114.9
590R31.7Very low32.7Very low206 Ų206140.8 Ų140.878%0.77779%0.794SS**  trans69.9148.6137.8-67.9170.6-171.6-125.7-3.1118.1
591S35.8Very low33Very low98 Ų98143 Ų14369%0.68580%0.796SS**  cis-167.5158.8-1244.60000113.6
592S35.1Very low32.9Very low109 Ų109141.2 Ų141.276%0.76279%0.79SS**  trans63.9124.7145.654.80000121.4
593C29.5Very low33Very low122 Ų122147.3 Ų147.382%0.82480%0.799SS**  trans-76-177.2163.2-47.90000112.1
594P35.1Very low32.9Very low128 Ų128145.9 Ų145.983%0.83179%0.792SS**  -143169.398.639.6-27.1000115.2
595S30Very low32.7Very low111 Ų111146.1 Ų146.178%0.77679%0.789SS**  trans-99.5162.616957.90000111.6
596I33.3Very low32.7Very low158 Ų158150.3 Ų150.381%0.8179%0.791SS**  trans-126.8131171.9-65.3179.2000109.3V598I596-V598 HydrophobicContact CG2-CG2 4.29Å
597R30.2Very low32.5Very low240 Ų240149.9 Ų149.991%0.90679%0.789SS**  trans-114.6129.1167.6-76.4-178.8171.7-177-2.1109.3
598V36.8Very low32.6Very low129 Ų129146.2 Ų146.278%0.78278%0.784SS**  trans-145.1100.3160.5-176.20000104.2I596I596-V598 HydrophobicContact CG2-CG2 4.29Å
599A35.5Very low32.6Very low91 Ų91149.1 Ų149.175%0.75279%0.79SS**  84.7134.673.100000112.8
600N30.3Very low32.6Very low150 Ų150145.8 Ų145.880%0.80279%0.787SS**  trans-67.7152.5-158.7-44.5-20.9000115.2
601E33Very low32.8Very low174 Ų174143.2 Ų143.281%0.81379%0.794SS**  trans-129.7145.9133.5-75-162163.600109.5
602V30.7Very low32.6Very low123 Ų123146.2 Ų146.275%0.74580%0.801SS**  trans-122.8132.2-178.2174.50000108.3
603W31.7Very low32.4Very low220 Ų220144.2 Ų144.283%0.83380%0.797SS**  trans-110.5140169.6-74.885.4000109.8
604P31.9Very low32.6Very low107 Ų107143 Ų14370%0.69580%0.796SS**PPolyproline II helixtrans-79.5156.6-162.531.4-36.6000113.8
605T28.2Very low32.3Very low124 Ų124146.3 Ų146.376%0.76180%0.8SS**PPolyproline II helixtrans-65.4145.4167.340.50000111.8
606I33.1Very low32.5Very low168 Ų168146.9 Ų146.986%0.86280%0.804SS**PPolyproline II helixtrans-101.4129156.8-65.5176.5000106.7
607E29.9Very low32.2Very low170 Ų170150.5 Ų150.579%0.79481%0.808SS**PPolyproline II helixtrans-88.1141.3-175.9-61.7167.4135.300111
608T36.4Very low32.3Very low139 Ų139147.3 Ų147.385%0.85381%0.808SS**  trans-139.7139.5157.151.60000108
609E34.1Very low32.1Very low170 Ų170149.3 Ų149.379%0.79481%0.808SS**  trans-88146.9-148.2-66.8174.989.700116.9
610N32.8Very low31.8Very low125 Ų125156.3 Ų156.367%0.66882%0.817SS**  trans39.2101133.1-54.8-36.1000119.7
611V35.2Very low31.9Very low152 Ų152153.7 Ų153.792%0.92182%0.816SS**  trans-131.5133.6130.4-176.80000108.4
612I32.3Very low31.9Very low161 Ų161151.2 Ų151.283%0.82682%0.815SS**  trans-107141.5-174.2-62.4164.6000109.3
613G30.6Very low32.2Very low66 Ų66154.3 Ų154.368%0.6882%0.821SS**  trans162.6131.5159.500000117.6
614A33.1Very low32.3Very low98 Ų98150.3 Ų150.381%0.8182%0.817SS**  trans48.197.2152.500000119.4
615Q30.1Very low32.5Very low197 Ų197153 Ų15392%0.92183%0.825SS**  trans-75.4140.3145.8-65177.4-5.800109.5
616S34.4Very low32.8Very low122 Ų122153.9 Ų153.985%0.85383%0.825SS**  trans-132.4113.2162.7-76.80000110.2
617R26.4Very low32.9Very low235 Ų235152.7 Ų152.789%0.88782%0.821SS**  trans-90.6124.1179.2177-162.9-161.7-177.66.8108.8
618L32.9Very low33Very low173 Ų173154 Ų15491%0.90682%0.819SS**  trans-144.6154.5167.8-110.2164.5000110.9
619Q32.6Very low32.8Very low171 Ų171156.6 Ų156.680%0.79982%0.815SS**  trans-102.5160.4-166-73.8158.6-108.900112.1
620Y27.7Very low32.8Very low237 Ų237156.9 Ų156.993%0.92982%0.816SS**  trans-67.1142.4167.7-80.2-101.6000111.3
621A33.7Very low32.6Very low96 Ų96156.4 Ų156.479%0.79382%0.82SS**  trans-138.8124149.500000107.1
622P32.7Very low32.6Very low121 Ų121156 Ų15679%0.78682%0.818SS**  trans-85.5151.6171.835.1-32.5000110.3
623Q37.3Very low32.6Very low188 Ų188154.9 Ų154.988%0.87982%0.819SS**  trans-151.1121.2162-169.5164.4-1.700109
624D32.6Very low32.8Very low137 Ų137160 Ų16073%0.73383%0.83SS**  trans-80.4153.7170.1-58.2-73.4000110.2
625D37.3Very low32.9Very low163 Ų163163.7 Ų163.787%0.87283%0.83SS**  177.7150.7122.6-94.1-29.4000111.3
626D34.5Very low32.9Very low143 Ų143160.7 Ų160.777%0.76582%0.82SS**  trans-75.5143-179.6-67.9-66.5000112.8
627N34.8Very low32.8Very low143 Ų143161.1 Ų161.177%0.76582%0.82SS**  177.4151.9110.4-100.1-73.2000117
628Y32.3Very low32.9Very low196 Ų196156.9 Ų156.977%0.76981%0.814SS**  trans38.9109.4149.4-96.8-110.4000123.3
629Y32.1Very low32.8Very low194 Ų194156.5 Ų156.576%0.76181%0.813SS**  58.2126123.8-97.6-98.1000123.7
630Q32.7Very low32.6Very low176 Ų176152.9 Ų152.982%0.82281%0.812SS**  trans83.2141.7153.2-92.2176.20.100120.3
631P30.2Very low32.6Very low115 Ų115145.1 Ų145.175%0.74780%0.804SS**  trans-105.2148.5-162.739.3-32.7000114.4
632T35Very low32.4Very low144 Ų144145.5 Ų145.588%0.88381%0.807SS**  trans-123.2112.6163.546.20000110.6
633T30.9Very low32.4Very low137 Ų137150.9 Ų150.984%0.8481%0.814SS**  trans-76.2120.2173.249.60000110.8
634L35.6Very low31.9Very low173 Ų173147.5 Ų147.591%0.90680%0.802SS**  trans-137.3158.4157.8-130.398.6000110.3
635Q34.5Very low32.1Very low176 Ų176149.9 Ų149.982%0.82281%0.81SS**  trans-96.1152.7-159.6-68.7152.4-71.700114.6
636L29.6Very low31.9Very low135 Ų135147.2 Ų147.271%0.70780%0.796SS**  trans-14153164-62.693.1000118.3L638L636-L638 HydrophobicContact CD2-CD1 4.11Å; L636-L638 HydrophobicContact CD2-CG 3.95Å
637P32.4Very low31.4Very low130 Ų130151.7 Ų151.784%0.84480%0.803SS**  -117.6157.898.434.4-35.1000114.1
638L29.7Very low31.2Very low147 Ų147149.8 Ų149.877%0.7780%0.796SS**  trans-82.5153.2179.3-56.783.8000111.3L636L636-L638 HydrophobicContact CD2-CD1 4.11Å; L636-L638 HydrophobicContact CD2-CG 3.95Å
639N30.4Very low30.8Very low164 Ų164149.1 Ų149.188%0.87780%0.802SS**  trans-150.2157.5138.1-134.8-25000114.5
640A28.3Very low30.7Very low96 Ų96149.3 Ų149.379%0.79380%0.803SS**  trans-45.5143.1-163.800000118.8
641G29Very low30.6Very low73 Ų73145.5 Ų145.575%0.75379%0.793SS**  trans176.811.8169.700000116.9
642A28.7Very low30.6Very low104 Ų104149.1 Ų149.186%0.8680%0.802SS**  trans-91.8116.1-171.200000113
643Y32.3Very low30.4Very low235 Ų235148.4 Ų148.492%0.92279%0.789SS**  trans-89.3106.9164.4-71.8-81.9000109.7
644D28.1Very low30.7Very low117 Ų117145.9 Ų145.963%0.62678%0.782SS**  trans-80.3127.4175179.520.5000111.2N646D644-N646 PolarHBondContact OD1-N 2.91Å; D644-N646 PolarHBondContact OD2-ND2 2.86Å
645M36Very low30.7Very low186 Ų186143 Ų14392%0.91677%0.767SS**  trans-126.952.2168.2-91.2-68-166.400111.1
646N32.1Very low30.8Very low108 Ų108138.9 Ų138.958%0.57876%0.758SS**  trans39.3112.7147-89.2-80.5000118.6D644 V648D644-N646 PolarHBondContact OD1-N 2.91Å; D644-N646 PolarHBondContact OD2-ND2 2.86Å; N646-V648 PolarHBondContact O-N 2.84Å
647R25.9Very low31.1Very low237 Ų237138.8 Ų138.889%0.89475%0.752SS**  trans-18.1119150.7-65.2169.6168.5-177.3-4.5114.4
648V29Very low31.4Very low102 Ų102139.4 Ų139.462%0.61875%0.748SS**  trans-119.896.1148.4-171.80000108.1N646 Y650N646-V648 PolarHBondContact O-N 2.84Å; V648-Y650 HydrophobicContact CB-CE2 4.23Å; V648-Y650 HydrophobicContact CG1-CD2 3.85Å; V648-Y650 HydrophobicContact CG1-CE1 4.12Å; V648-Y650 HydrophobicContact CG1-CE2 3.39Å; V648-Y650 HydrophobicContact CG1-CG 4.39Å; V648-Y650 PolarHBondContact O-N 3.23Å
649M25.5Very low32Very low183 Ų183140.3 Ų140.390%0.90175%0.748SS**  trans-73.9115.1163.1-88.1-173.7164.200108.2
650Y29.1Very low32.4Very low198 Ų198138.7 Ų138.778%0.77674%0.737SS**  trans-90.7125.8161.9-73.3-73.7000109.1V648 M652V648-Y650 HydrophobicContact CB-CE2 4.23Å; V648-Y650 HydrophobicContact CG1-CD2 3.85Å; V648-Y650 HydrophobicContact CG1-CE1 4.12Å; V648-Y650 HydrophobicContact CG1-CE2 3.39Å; V648-Y650 HydrophobicContact CG1-CG 4.39Å; V648-Y650 PolarHBondContact O-N 3.23Å; Y650-M652 PolarHBondContact O-N 2.03Å
651P30.1Very low32.8Very low95 Ų95139.1 Ų139.162%0.61773%0.732SS**  trans-68127.1171.727.8-32.2000109.5H653P651-H653 VanDerWaalsContact C-N 3.33Å; P651-H653 PolarHBondContact O-N 2.88Å
652M30Very low33.4Very low191 Ų191145.8 Ų145.894%0.94174%0.736SS**  trans-67.391.9167.3-83-75.3-171.800109.1Y650 A654Y650-M652 PolarHBondContact O-N 2.03Å; M652-A654 PolarHBondContact O-N 3.37Å
653H32.4Very low33.8Very low130 Ų130143.5 Ų143.560%0.60272%0.722SS**  trans-63.4127.2170.2-82.2-95.2000109.6P651 D655P651-H653 VanDerWaalsContact C-N 3.33Å; P651-H653 PolarHBondContact O-N 2.88Å; H653-D655 PolarHBondContact O-N 3.04Å; H653-D655 VanDerWaalsContact O-N 3.08Å
654A35.3Very low34.4Very low84 Ų84140.9 Ų140.969%0.69472%0.718SS**G310 helixtrans-67-12.8-169.200000114.5M652 S656M652-A654 PolarHBondContact O-N 3.37Å; A654-S656 PolarHBondContact O-N 3.34Å
655D36.8Very low35.2Very low111 Ų111143.1 Ų143.159%0.59473%0.73SS**G310 helixtrans-76.7-18.7-170.4-54.6-67000114.4H653 F657 N658H653-D655 PolarHBondContact O-N 3.04Å; H653-D655 VanDerWaalsContact O-N 3.08Å; D655-F657 PolarHBondContact O-N 3.28Å; D655-N658 PolarHBondContact O-N 2.96Å
656S36.2Very low35.8Very low90 Ų90139 Ų13963%0.62971%0.711SS**G310 helixtrans-64.8-21-178.6-61.20000114A654 N658A654-S656 PolarHBondContact O-N 3.34Å; S656-N658 PolarHBondContact O-N 2.75Å
657F35Very low36.3Very low134 Ų134137.9 Ų137.959%0.58871%0.71SS**G310 helixtrans-73.1-9.6177.8-96.8-78.9000114.5D655 Q659 M660D655-F657 PolarHBondContact O-N 3.28Å; F657-Q659 VanDerWaalsContact C-N 3.29Å; F657-Q659 PolarHBondContact O-N 3.36Å; F657-M660 HydrophobicContact CD1-CE 4.36Å; F657-M660 HydrophobicContact CD1-SD 4.35Å; F657-M660 HydrophobicContact CE1-CE 4.02Å; F657-M660 HydrophobicContact CE1-SD 4.41Å
658N39.4Very low37Very low142 Ų142133.3 Ų133.376%0.75971%0.711SS**G310 helixtrans-84.55.2178.4-67.9-36.8000114D655 S656D655-N658 PolarHBondContact O-N 2.96Å; S656-N658 PolarHBondContact O-N 2.75Å
659Q42.4Very low38.1Very low167 Ų167132.4 Ų132.478%0.7872%0.722SS**G310 helixtrans-105.87.4-177.5-60.4-171.412.300114.6F657F657-Q659 VanDerWaalsContact C-N 3.29Å; F657-Q659 PolarHBondContact O-N 3.36Å
660M37.9Very low38.9Very low129 Ų129131.5 Ų131.564%0.63571%0.713SS**  trans-80.6125.9174.6-70.4-176.4169.900111.3F657 Y662F657-M660 HydrophobicContact CD1-CE 4.36Å; F657-M660 HydrophobicContact CD1-SD 4.35Å; F657-M660 HydrophobicContact CE1-CE 4.02Å; F657-M660 HydrophobicContact CE1-SD 4.41Å; M660-Y662 PolarHBondContact O-N 3.2Å; M660-Y662 VanDerWaalsContact O-N 3.08Å
661P38.3Very low39.7Very low105 Ų105133.7 Ų133.768%0.68272%0.72SS**G310 helixtrans-74.82.1-170.829.6-36.2000115.5G663P661-G663 VanDerWaalsContact C-N 3.33Å; P661-G663 PolarHBondContact O-N 3.08Å
662Y40.1Very low40.3Very low214 Ų214134.5 Ų134.584%0.83972%0.723SS**G310 helixtrans-87.112.9-169.3-68.6-77.6000115.6M660M660-Y662 PolarHBondContact O-N 3.2Å; M660-Y662 VanDerWaalsContact O-N 3.08Å
663G37.6Very low40.8Very low55 Ų55133 Ų13357%0.56772%0.719SS**G310 helixtrans-88.5-14.4-175.500000116.9P661P661-G663 VanDerWaalsContact C-N 3.33Å; P661-G663 PolarHBondContact O-N 3.08Å
664Q45.4Very low41.1Very low180 Ų180136.4 Ų136.484%0.84173%0.727SS**THydrogen-bonded Turntrans-93.5-7.9-158.7-63.5-171.70.600116.6
665N43.9Very low41Very low164 Ų164138.1 Ų138.188%0.87773%0.73SS**THydrogen-bonded Turntrans-107.616.5-175-70.3-20.9000114.5
666L49.4Very low41Very low100 Ų100141.4 Ų141.452%0.52474%0.742SS.*PPolyproline II helixtrans-84.3125175-86.1160.7000110.8V672L666-V672 HydrophobicContact CD1-CG2 4.34Å
667P43.6Very low41.1Very low85 Ų85143.1 Ų143.155%0.55275%0.751SS**PPolyproline II helixtrans-66.5148.2176.527.6-34.3000111.3G669P667-G669 PolarHBondContact O-N 3.14Å
668P40.4Very low41Very low141 Ų141147.2 Ų147.292%0.91676%0.763SS**THydrogen-bonded Turntrans-60.8124.1-175.424.8-34.2000111.2
669G52.1Low40.7Very low83 Ų83145.8 Ų145.886%0.85676%0.764SS**THydrogen-bonded Turntrans123.9-16.317500000115.8P667P667-G669 PolarHBondContact O-N 3.14Å
670K40.7Very low40.2Very low164 Ų164146.4 Ų146.471%0.71376%0.764SS**  trans-102.5113177-67.5-166.7176.9-174.20112.3
671R47.2Very low39.9Very low243 Ų243147.9 Ų147.992%0.91777%0.774SS**PPolyproline II helixtrans-87.8142.3165.6-68.9-174.5177.2-169.8-0.3109.9
672V43.2Very low39.7Very low113 Ų113149 Ų14969%0.68578%0.779SS**PPolyproline II helixtrans-81.9116.8170.1179.70000108.7L666 R674L666-V672 HydrophobicContact CD1-CG2 4.34Å; V672-R674 PolarHBondContact O-N 3.22Å
673N39.3Very low39.3Very low159 Ų159147.1 Ų147.185%0.8578%0.775SS**PPolyproline II helixtrans-70.1118.3168.1-98.2-7.6000109
674R38.3Very low39.2Very low202 Ų202154 Ų15476%0.76279%0.792SS**PPolyproline II helixtrans-97.3122.5172.6-109.7-178-175.6170.32.6109.2V672V672-R674 PolarHBondContact O-N 3.22Å
675P34.2Very low38.6Very low119 Ų119152.9 Ų152.977%0.77379%0.792SS**PPolyproline II helixtrans-65.2145.8166.629.1-33.4000109.6
676Q36.9Very low38.1Very low181 Ų181148.6 Ų148.685%0.84679%0.787SS**PPolyproline II helixtrans-74.9140.9175.4-72.3-153.61700111.4R678Q676-R678 PolarHBondContact O-N 2.91Å; Q676-R678 VanDerWaalsContact O-N 3.16Å
677P36.9Very low37.4Very low125 Ų125153.9 Ų153.981%0.81281%0.806SS**  trans-70.5108.9173.529.3-33.1000110.1S679P677-S679 PolarHBondContact O-N 3.16Å
678R33.9Very low36.8Very low221 Ų221153.5 Ų153.583%0.83482%0.817SS**  trans-70.5127.6170.9-74.8-174.6173.2-176.8-1.5110.1Q676 F680Q676-R678 PolarHBondContact O-N 2.91Å; Q676-R678 VanDerWaalsContact O-N 3.16Å; R678-F680 PolarHBondContact O-N 3.35Å
679S32.6Very low36.7Very low112 Ų112154.7 Ų154.778%0.78382%0.815SS**  trans-74.9100.617339.50000111P677 L681P677-S679 PolarHBondContact O-N 3.16Å; S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 2.95Å
680F32.6Very low35.8Very low180 Ų180155.4 Ų155.479%0.78981%0.808SS**  trans-74.584171.5-89-85.8000111.4R678 V682R678-F680 PolarHBondContact O-N 3.35Å; F680-V682 PolarHBondContact O-N 3.5Å; F680-V682 VanDerWaalsContact O-N 3.14Å
681L31.4Very low35.7Very low160 Ų160156.5 Ų156.584%0.83881%0.812SS**  trans-71.894.7159.4-97.1167.3000109S679 K683S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 2.95Å; L681-K683 PolarHBondContact O-N 3.33Å; L681-K683 VanDerWaalsContact O-N 3.11Å
682V33Very low35.1Very low128 Ų128153 Ų15378%0.77681%0.806SS**  trans-70.1103.7169.5-1790000108.3F680F680-V682 PolarHBondContact O-N 3.5Å; F680-V682 VanDerWaalsContact O-N 3.14Å
683K32.2Very low34.8Very low175 Ų175152.3 Ų152.376%0.76181%0.806SS**  trans-74130163.3-83.3-175.9170.5-177.60109.1L681 N685L681-K683 PolarHBondContact O-N 3.33Å; L681-K683 VanDerWaalsContact O-N 3.11Å; K683-N685 PolarHBondContact O-N 3.11Å
684E36.4Very low34.7Very low198 Ų198151.3 Ų151.393%0.92580%0.8SS**  trans-64.7120.2159.9-87.8-177.2120.100109.4G686E684-G686 PolarHBondContact O-N 3.35Å
685N33.4Very low34.8Very low157 Ų157150 Ų15084%0.8480%0.803SS**  trans-88.994.3-179.8-79.6-20.8000110.7K683K683-N685 PolarHBondContact O-N 3.11Å
686G33.3Very low35.1Very low75 Ų75149.1 Ų149.177%0.77380%0.799SS**  trans-90101.7173.500000113.1E684E684-G686 PolarHBondContact O-N 3.35Å
687K34.6Very low35.1Very low211 Ų211147.9 Ų147.992%0.91780%0.799SS**  trans57.8133.4173.8-80.5175.1172.1174.50116.3
688G31.1Very low35.2Very low76 Ų76146.4 Ų146.478%0.78480%0.797SS**  trans-96.7174.517700000112.8
689D36.9Very low35.4Very low166 Ų166144 Ų14489%0.88880%0.8SS**  trans-147.7166.3151.5-135.6-35.4000111
690S33.5Very low35.8Very low99 Ų99151.3 Ų151.369%0.69282%0.822SS**  trans-89.9134.7-159.9-55.70000115
691K38.2Very low35.9Very low186 Ų186149.9 Ų149.981%0.80982%0.824SS**  173.1152.4122.4-94.8159.3-174.9176.80116.1
692Q35.7Very low36.2Very low170 Ų170149.4 Ų149.479%0.79482%0.823SS**  trans-1.2149.9139.1-72.9157.7-27.100118.6
693S37.1Very low36.4Very low98 Ų98150.6 Ų150.669%0.68583%0.825SS**  cis-165.7153.814.141.60000114.1
694L36.7Very low36.6Very low139 Ų139149.1 Ų149.173%0.72883%0.829SS**  trans46.5138.7144.3-79.184.7000122.4
695E39.8Very low36.6Very low173 Ų173146.1 Ų146.181%0.80882%0.823SS**  trans69.5148.7140.6-72.4175.2140.800120.1
696S40.2Very low36.8Very low101 Ų101145.3 Ų145.371%0.70682%0.822SS**  cis-156.1-173.4-12.152.40000112
697N36.9Very low37.1Very low155 Ų155150.4 Ų150.483%0.82983%0.826SS**  trans-40.1163.5173.5-49.9-48.1000115
698A40.1Very low37.3Very low95 Ų95145.7 Ų145.779%0.78582%0.819SS**  cis-156.3-170.33300000114.4
699L37.6Very low37.8Very low169 Ų169151.5 Ų151.589%0.88582%0.821SS**  trans-75.5151.2178-70.274.6000112.9
700E41Very low37.9Very low267 Ų267150.2 Ų150.2100%1.24882%0.815SS**  -134.80126.9-158.4175.8154.900108.6

Retrieved 700 of 700 residues in 314.1 ms (Link to these results)