A0A077YWV1_TRITR Loading...

Protein DBF4 like protein B

AlphaFold DB , UniProt , Accession A0A077YWV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 412 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
1M58.3Low85.3Confident114 Ų11477.7 Ų77.756%0.56243%0.425SS*.  025.80-107.6-76.8-167.200111.2A3 E96 Q99M1-A3 PolarHBondContact O-N 3.18Å; M1-E96 HydrophobicContact CE-CB 4.25Å; M1-E96 HydrophobicContact CE-CG 4.42Å; M1-Q99 HydrophobicContact CE-CB 3.91Å
2D76.6Confident86.4Confident131 Ų13171.3 Ų71.370%0.70139%0.39SS*.THydrogen-bonded Turntrans-107.711.9-141.7-34.6-68000113.3
3A77.3Confident87.2Confident52 Ų5267.8 Ų67.843%0.4337%0.369SS..THydrogen-bonded Turntrans-73.7-36177.300000112.6M1 K5 P90 V92M1-A3 PolarHBondContact O-N 3.18Å; A3-K5 PolarHBondContact O-N 2.98Å; A3-P90 HydrophobicContact CB-CB 4.04Å; A3-V92 HydrophobicContact CB-CG2 4.07Å
4V82.4Confident88Confident11 Ų1165 Ų657%0.06735%0.353CS..  trans-102.279.8179.9-163.60000109V7 F12 V46 V92 Y100V4-V7 HydrophobicContact CG1-CG2 4.42Å; V4-F12 HydrophobicContact CG1-CE1 4.16Å; V4-F12 HydrophobicContact CG1-CZ 4.12Å; V4-V46 HydrophobicContact CG2-CG1 4.14Å; V4-V46 HydrophobicContact CG2-CG2 4.24Å; V4-V92 HydrophobicContact CG2-CG2 4.05Å; V4-Y100 HydrophobicContact CB-CD1 4.48Å; V4-Y100 HydrophobicContact CB-CD2 4.26Å; V4-Y100 HydrophobicContact CB-CE1 4.19Å; V4-Y100 HydrophobicContact CB-CE2 3.95Å; V4-Y100 HydrophobicContact CG1-CD1 4.19Å; V4-Y100 HydrophobicContact CG1-CE1 3.58Å; V4-Y100 HydrophobicContact CG1-CE2 4.12Å; V4-Y100 WeakPolarHBondContact O-CE2 3.42Å; V4-Y100 PolarHBondContact O-OH 3.04Å
5K82.6Confident88.6Confident185 Ų18563.2 Ų63.280%0.80434%0.341SS*.SBendtrans-70.9-46.1180-66-175.9179.6178.30111.8A3A3-K5 PolarHBondContact O-N 2.98Å
6E89.9Confident89.1Confident118 Ų11860.3 Ų60.355%0.55133%0.325SS*.  trans-145.7140.8-179.2-175.6166-17300110.6T8 S10E6-T8 VanDerWaalsContact CG-OG1 3.31Å; E6-T8 WeakPolarHBondContact CG-OG1 3.26Å; E6-T8 VanDerWaalsContact OE1-CB 3.22Å; E6-T8 WeakPolarHBondContact OE1-CB 3.09Å; E6-T8 PolarHBondContact OE1-OG1 3.2Å; E6-S10 WeakPolarHBondContact O-CB 3.41Å; E6-S10 PolarHBondContact O-OG 2.8Å
7V92.1Very high89.5Confident9 Ų965.5 Ų65.56%0.05534%0.339CS..  trans-88.8-35.8178.6-172.10000111.1V4 G9 S10 F12 W28 K32 G34 Y100V4-V7 HydrophobicContact CG1-CG2 4.42Å; V7-G9 PolarHBondContact O-N 3.22Å; V7-S10 WeakPolarHBondContact O-CB 3.36Å; V7-S10 PolarHBondContact O-N 3.34Å; V7-S10 VanDerWaalsContact O-N 3.14Å; V7-F12 HydrophobicContact CB-CE2 4.49Å; V7-F12 HydrophobicContact CB-CZ 4.41Å; V7-F12 HydrophobicContact CG1-CE2 3.77Å; V7-F12 HydrophobicContact CG1-CZ 3.98Å; V7-F12 HydrophobicContact CG2-CZ 4.43Å; V7-W28 HydrophobicContact CG1-CZ3 4.11Å; V7-W28 HydrophobicContact CG2-CH2 3.89Å; V7-W28 HydrophobicContact CG2-CZ3 3.82Å; V7-K32 HydrophobicContact CB-CB 4.02Å; V7-K32 HydrophobicContact CG1-CB 3.68Å; V7-G34 WeakPolarHBondContact O-CA 3.46Å; V7-G34 PolarHBondContact O-N 3.13Å; V7-Y100 HydrophobicContact CG2-CE1 3.72Å
8T93.3Very high89.8Confident83 Ų8370.3 Ų70.351%0.50935%0.352SS..THydrogen-bonded Turntrans-51.8123.6175-19.30000110.7E6 S10E6-T8 VanDerWaalsContact CG-OG1 3.31Å; E6-T8 WeakPolarHBondContact CG-OG1 3.26Å; E6-T8 VanDerWaalsContact OE1-CB 3.22Å; E6-T8 WeakPolarHBondContact OE1-CB 3.09Å; E6-T8 PolarHBondContact OE1-OG1 3.2Å; T8-S10 PolarHBondContact O-N 3.14Å
9G93.2Very high90Very high53 Ų5371.4 Ų71.455%0.54637%0.365SS..THydrogen-bonded Turntrans69.3-11179.100000116.4V7 G33V7-G9 PolarHBondContact O-N 3.22Å; G9-G33 PolarHBondContact N-O 3.16Å
10S96.1Very high90.1Very high25 Ų2575.7 Ų75.718%0.17538%0.383CS..  trans-67.1139.4175.8-90.40000111.4E6 V7 T8 F12 I35 S45E6-S10 WeakPolarHBondContact O-CB 3.41Å; E6-S10 PolarHBondContact O-OG 2.8Å; V7-S10 WeakPolarHBondContact O-CB 3.36Å; V7-S10 PolarHBondContact O-N 3.34Å; V7-S10 VanDerWaalsContact O-N 3.14Å; T8-S10 PolarHBondContact O-N 3.14Å; S10-F12 WeakPolarHBondContact O-CD2 2.98Å; S10-I35 PolarHBondContact O-N 3.16Å; S10-S45 WeakPolarHBondContact CA-OG 3.38Å; S10-S45 WeakPolarHBondContact CB-OG 3.39Å; S10-S45 PolarHBondContact OG-OG 3.36Å; S10-S45 VanDerWaalsContact OG-OG 3.08Å
11R97Very high90.2Very high74 Ų7474.3 Ų74.328%0.27938%0.375SS..EExtended strand (participates in β ladder)trans-95.4115.1174.4-70.8-170.166.3172.8-4.6110.2I35 S37 D41 S43 E44 S45 V46R11-I35 CarbonylContact C-O 3.59Å; R11-I35 WeakPolarHBondContact CA-O 3.33Å; R11-I35 HydrophobicContact CG-CB 4.17Å; R11-I35 HydrophobicContact CG-CD1 4.47Å; R11-I35 HydrophobicContact CG-CG2 4.29Å; R11-S37 PolarHBondContact NE-OG 3.36Å; R11-S37 PolarHBondContact NH2-OG 3.43Å; R11-D41 IonicContact CZ-OD1 3.06Å; R11-D41 IonicContact CZ-OD2 2.87Å; R11-D41 VanDerWaalsContact CZ-OD2 3.3Å; R11-D41 IonicContact NH1-OD1 2.74Å; R11-D41 IonicContact NH1-OD2 2.68Å; R11-D41 PolarHBondContact NH1-OD2 2.78Å; R11-D41 VanDerWaalsContact NH1-OD2 3.11Å; R11-D41 IonicContact NH2-OD1 3.14Å; R11-D41 IonicContact NH2-OD2 3.64Å; R11-D41 PolarHBondContact NH2-OD2 2.75Å; R11-S43 PolarHBondContact NH1-OG 2.74Å; R11-E44 IonicContact NH2-OE1 3.9Å; R11-E44 CarbonylContact O-C 3.46Å; R11-E44 WeakPolarHBondContact O-CA 3.32Å; R11-S45 PolarHBondContact N-OG 3.13Å; R11-S45 VanDerWaalsContact N-OG 3.13Å; R11-S45 PolarHBondContact O-N 3.18Å; R11-S45 PolarHBondContact O-OG 2.99Å; R11-V46 PolarHBondContact O-N 3.31Å
12F97.7Very high92Very high0 Ų069.6 Ų69.60%036%0.355CS..EExtended strand (participates in β ladder)trans-105.7139.8-179.4-65.8-95.8000111.4V4 V7 S10 I29 I35 V36 S37 V46 V48 F97V4-F12 HydrophobicContact CG1-CE1 4.16Å; V4-F12 HydrophobicContact CG1-CZ 4.12Å; V7-F12 HydrophobicContact CB-CE2 4.49Å; V7-F12 HydrophobicContact CB-CZ 4.41Å; V7-F12 HydrophobicContact CG1-CE2 3.77Å; V7-F12 HydrophobicContact CG1-CZ 3.98Å; V7-F12 HydrophobicContact CG2-CZ 4.43Å; S10-F12 WeakPolarHBondContact O-CD2 2.98Å; F12-I29 HydrophobicContact CB-CD1 3.88Å; F12-I29 HydrophobicContact CB-CG2 4.39Å; F12-I29 HydrophobicContact CD1-CD1 4.15Å; F12-I29 HydrophobicContact CD2-CD1 4.3Å; F12-I29 HydrophobicContact CD2-CG1 4.31Å; F12-I29 HydrophobicContact CD2-CG2 3.47Å; F12-I29 VanDerWaalsContact CD2-CG2 3.47Å; F12-I29 HydrophobicContact CE2-CG2 3.99Å; F12-I29 HydrophobicContact CG-CD1 3.86Å; F12-I29 HydrophobicContact CG-CG1 4.33Å; F12-I29 HydrophobicContact CG-CG2 4.11Å; F12-I35 PolarHBondContact N-O 3.14Å; F12-V36 CarbonylContact O-C 3.46Å; F12-V36 WeakPolarHBondContact O-CA 3.3Å; F12-S37 PolarHBondContact O-N 2.9Å; F12-V46 VanDerWaalsContact CA-O 3.3Å; F12-V46 WeakPolarHBondContact CA-O 3.41Å; F12-V46 HydrophobicContact CD1-CB 3.71Å; F12-V46 HydrophobicContact CD1-CG1 4.05Å; F12-V46 HydrophobicContact CD1-CG2 4.4Å; F12-V46 HydrophobicContact CE1-CB 3.75Å; F12-V46 HydrophobicContact CE1-CG1 4.05Å; F12-V46 HydrophobicContact CE1-CG2 3.96Å; F12-V48 HydrophobicContact CD1-CG2 4.3Å; F12-F97 HydrophobicContact CD1-CE2 4.33Å; F12-F97 HydrophobicContact CD1-CZ 4.49Å; F12-F97 AromaticContact CE1-CE2 3.81Å; F12-F97 HydrophobicContact CE1-CE2 3.81Å; F12-F97 HydrophobicContact CE1-CZ 4.24Å
13F97.6Very high92.9Very high27 Ų2769.4 Ų69.412%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-117.8130.4165.9176.8-89000110.7H15 S37 L40 E44 V46 I47 V48 P80F13-H15 HydrophobicContact CD1-CB 4.36Å; F13-H15 HydrophobicContact CE1-CB 4.04Å; F13-S37 WeakPolarHBondContact CD2-O 3.26Å; F13-L40 HydrophobicContact CB-CD1 3.74Å; F13-L40 HydrophobicContact CD1-CD1 3.88Å; F13-L40 HydrophobicContact CD2-CB 4.27Å; F13-L40 HydrophobicContact CD2-CD1 4.23Å; F13-L40 HydrophobicContact CE2-CB 4.26Å; F13-L40 HydrophobicContact CG-CB 4.49Å; F13-L40 HydrophobicContact CG-CD1 3.7Å; F13-L40 HydrophobicContact CZ-CB 4.45Å; F13-E44 HydrophobicContact CB-CG 3.7Å; F13-V46 PolarHBondContact N-O 2.59Å; F13-V46 VanDerWaalsContact N-O 3.09Å; F13-I47 HydrophobicContact CB-CG1 4.23Å; F13-I47 HydrophobicContact CD1-CG2 4.36Å; F13-I47 WeakPolarHBondContact O-CA 3.39Å; F13-V48 PolarHBondContact O-N 3.44Å; F13-P80 HydrophobicContact CD1-CB 4.46Å; F13-P80 HydrophobicContact CE1-CB 3.64Å; F13-P80 HydrophobicContact CE1-CG 4.03Å; F13-P80 HydrophobicContact CZ-CB 4.21Å; F13-P80 HydrophobicContact CZ-CG 4.18Å
14L97.7Very high93.6Very high28 Ų2871.9 Ų71.915%0.14735%0.346CS..EExtended strand (participates in β ladder)trans-103.785.1-168.6-61.4-177.7000111.7I16 F25 E26 I29 V36 V48L14-I16 HydrophobicContact CD2-CD1 4.46Å; L14-I16 PolarHBondContact O-N 3.49Å; L14-F25 HydrophobicContact CD1-CB 4.28Å; L14-F25 HydrophobicContact CD2-CB 4.44Å; L14-E26 HydrophobicContact CD1-CB 3.9Å; L14-I29 HydrophobicContact CD1-CD1 4.37Å; L14-I29 HydrophobicContact CD2-CD1 3.85Å; L14-V36 HydrophobicContact CD1-CG1 4.03Å; L14-V36 HydrophobicContact CG-CG1 4.15Å; L14-V48 HydrophobicContact CD2-CB 3.85Å; L14-V48 HydrophobicContact CD2-CG2 4.08Å
15H97.2Very high94.2Very high38 Ų3872 Ų7218%0.17635%0.345CS..EExtended strand (participates in β ladder)trans-80.463.5174.1-170.3-106.3000111.2F13 V48 T49 D50 D51F13-H15 HydrophobicContact CD1-CB 4.36Å; F13-H15 HydrophobicContact CE1-CB 4.04Å; H15-V48 PolarHBondContact N-O 2.69Å; H15-T49 PolarHBondContact ND1-OG1 2.89Å; H15-T49 VanDerWaalsContact O-CA 3.26Å; H15-T49 WeakPolarHBondContact O-CA 3.31Å; H15-T49 PolarHBondContact O-OG1 2.8Å; H15-D50 PolarHBondContact O-N 3.08Å; H15-D51 IonicContact CE1-OD2 3.13Å
16I97Very high94.9Very high17 Ų1766.9 Ų66.99%0.08732%0.324CS..  trans-116.1118.3-175.3-62.7177.1000110.1L14 R18 E21 A22 F25 V48 D50 K94L14-I16 HydrophobicContact CD2-CD1 4.46Å; L14-I16 PolarHBondContact O-N 3.49Å; I16-R18 VanDerWaalsContact C-N 3.25Å; I16-R18 PolarHBondContact O-N 3.11Å; I16-E21 HydrophobicContact CG2-CB 4.18Å; I16-A22 HydrophobicContact CB-CB 4.08Å; I16-A22 HydrophobicContact CG2-CB 4.2Å; I16-F25 HydrophobicContact CD1-CD2 3.52Å; I16-F25 HydrophobicContact CD1-CE2 3.96Å; I16-F25 HydrophobicContact CD1-CG 4.44Å; I16-V48 HydrophobicContact CD1-CG1 4.12Å; I16-D50 WeakPolarHBondContact CA-OD1 3.2Å; I16-D50 HydrophobicContact CG2-CB 4.49Å; I16-K94 HydrophobicContact CG2-CD 4.44Å
17R95.1Very high95.2Very high149 Ų14967.7 Ų67.756%0.56232%0.324SS*.SBendtrans-65.5-22.2-173.3-66.8160.6170.1-141.1-2.5114.2D50 D51R17-D50 WeakPolarHBondContact CB-OD1 3.38Å; R17-D50 WeakPolarHBondContact CD-OD1 3.49Å; R17-D50 VanDerWaalsContact CG-OD1 3.25Å; R17-D50 WeakPolarHBondContact CG-OD1 3.21Å; R17-D50 PolarHBondContact N-OD1 3.19Å; R17-D51 IonicContact CZ-OD2 3.81Å; R17-D51 IonicContact NE-OD2 2.65Å; R17-D51 PolarHBondContact NE-OD2 3.22Å; R17-D51 VanDerWaalsContact NH2-CG 3.29Å; R17-D51 IonicContact NH2-OD1 3.04Å; R17-D51 PolarHBondContact NH2-OD1 3.39Å; R17-D51 IonicContact NH2-OD2 2.63Å; R17-D51 PolarHBondContact NH2-OD2 3.28Å
18R94.8Very high95.3Very high151 Ų15167.3 Ų67.357%0.5732%0.321SS*.  trans-100.9108.9178.7-71.2177.3176.5178.41.3110.3I16 E20 E21 A22I16-R18 VanDerWaalsContact C-N 3.25Å; I16-R18 PolarHBondContact O-N 3.11Å; R18-E20 PolarHBondContact O-N 2.95Å; R18-E21 HydrophobicContact CB-CB 4.1Å; R18-E21 HydrophobicContact CB-CG 4.12Å; R18-E21 VanDerWaalsContact CD-CD 3.41Å; R18-E21 WeakPolarHBondContact CD-OE1 3.49Å; R18-E21 IonicContact CZ-OE1 3.61Å; R18-E21 IonicContact NE-OE1 3.72Å; R18-E21 IonicContact NH1-OE1 2.71Å; R18-E21 PolarHBondContact NH1-OE1 3.22Å; R18-E21 PolarHBondContact O-N 3.42Å; R18-A22 PolarHBondContact O-N 3.08Å
19P93.4Very high95.4Very high91 Ų9163.4 Ų63.459%0.59130%0.297SS*.Hα-helixtrans-66.4-23.4-174.426.5-35.2000113.7K23P19-K23 WeakPolarHBondContact O-CB 3.25Å; P19-K23 VanDerWaalsContact O-CG 3.27Å; P19-K23 WeakPolarHBondContact O-CG 3.4Å; P19-K23 PolarHBondContact O-N 3.31Å; P19-K23 VanDerWaalsContact O-N 3.08Å
20E92.3Very high95.6Very high157 Ų15765.6 Ų65.673%0.73430%0.295SS*.Hα-helixtrans-72.3-34.4174.2-65.8172.9-165.600112.4R18 R24R18-E20 PolarHBondContact O-N 2.95Å; E20-R24 WeakPolarHBondContact O-CG 3.48Å
21E92.8Very high95.5Very high47 Ų4769 Ų6922%0.2231%0.308CS..Hα-helixtrans-77.8-41.5174.4-68176.3-159.400110.5I16 R18 K23 R24 F25 K94I16-E21 HydrophobicContact CG2-CB 4.18Å; R18-E21 HydrophobicContact CB-CB 4.1Å; R18-E21 HydrophobicContact CB-CG 4.12Å; R18-E21 VanDerWaalsContact CD-CD 3.41Å; R18-E21 WeakPolarHBondContact CD-OE1 3.49Å; R18-E21 IonicContact CZ-OE1 3.61Å; R18-E21 IonicContact NE-OE1 3.72Å; R18-E21 IonicContact NH1-OE1 2.71Å; R18-E21 PolarHBondContact NH1-OE1 3.22Å; R18-E21 PolarHBondContact O-N 3.42Å; E21-K23 VanDerWaalsContact C-N 3.33Å; E21-K23 PolarHBondContact O-N 2.75Å; E21-R24 WeakPolarHBondContact O-CB 3.37Å; E21-R24 PolarHBondContact O-N 2.81Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E21-F25 WeakPolarHBondContact O-CD2 3.5Å; E21-F25 PolarHBondContact O-N 2.94Å; E21-K94 IonicContact OE2-NZ 2.74Å; E21-K94 PolarHBondContact OE2-NZ 3.24Å
22A95.6Very high95.4Very high16 Ų1667.8 Ų67.813%0.13231%0.305CS..Hα-helixtrans-53.2-49.4173.600000111.4I16 R18 R24 F25 E26I16-A22 HydrophobicContact CB-CB 4.08Å; I16-A22 HydrophobicContact CG2-CB 4.2Å; R18-A22 PolarHBondContact O-N 3.08Å; A22-R24 VanDerWaalsContact C-N 3.27Å; A22-R24 PolarHBondContact O-N 3.38Å; A22-F25 PolarHBondContact O-N 2.95Å; A22-E26 WeakPolarHBondContact O-CB 3.49Å; A22-E26 PolarHBondContact O-N 3.28Å
23K95.3Very high95.4Very high126 Ų12669.7 Ų69.755%0.54833%0.325SS..Hα-helixtrans-61.7-28.1178.6-79.4179.2175.1-164.20115P19 E21 E26 Y27P19-K23 WeakPolarHBondContact O-CB 3.25Å; P19-K23 VanDerWaalsContact O-CG 3.27Å; P19-K23 WeakPolarHBondContact O-CG 3.4Å; P19-K23 PolarHBondContact O-N 3.31Å; P19-K23 VanDerWaalsContact O-N 3.08Å; E21-K23 VanDerWaalsContact C-N 3.33Å; E21-K23 PolarHBondContact O-N 2.75Å; K23-E26 WeakPolarHBondContact CG-OE2 3.49Å; K23-Y27 WeakPolarHBondContact O-CB 3.49Å; K23-Y27 PolarHBondContact O-N 2.87Å
24R93Very high95.3Very high104 Ų10468.8 Ų68.839%0.39232%0.323SS..Hα-helixtrans-71.7-42.8176-73.4169.4173.9-164.7-8.3111E20 E21 A22 W28 F108 S112E20-R24 WeakPolarHBondContact O-CG 3.48Å; E21-R24 WeakPolarHBondContact O-CB 3.37Å; E21-R24 PolarHBondContact O-N 2.81Å; E21-R24 VanDerWaalsContact O-N 3.12Å; A22-R24 VanDerWaalsContact C-N 3.27Å; A22-R24 PolarHBondContact O-N 3.38Å; R24-W28 PolarHBondContact O-N 3Å; R24-F108 HydrophobicContact CB-CZ 4.26Å; R24-F108 WeakPolarHBondContact O-CZ 3.11Å; R24-S112 PolarHBondContact NH2-O 2.79Å
25F95.5Very high95.3Very high13 Ų1371.9 Ų71.96%0.05734%0.338CS..Hα-helixtrans-70.5-39.1173.7-64.9-63.3000112.1L14 I16 E21 A22 W28 I29 K94 F97 K98L14-F25 HydrophobicContact CD1-CB 4.28Å; L14-F25 HydrophobicContact CD2-CB 4.44Å; I16-F25 HydrophobicContact CD1-CD2 3.52Å; I16-F25 HydrophobicContact CD1-CE2 3.96Å; I16-F25 HydrophobicContact CD1-CG 4.44Å; E21-F25 WeakPolarHBondContact O-CD2 3.5Å; E21-F25 PolarHBondContact O-N 2.94Å; A22-F25 PolarHBondContact O-N 2.95Å; F25-W28 PolarHBondContact O-N 3.05Å; F25-I29 WeakPolarHBondContact O-CB 3.36Å; F25-I29 WeakPolarHBondContact O-CD1 3.46Å; F25-I29 VanDerWaalsContact O-CG1 3.22Å; F25-I29 WeakPolarHBondContact O-CG1 3.49Å; F25-I29 PolarHBondContact O-N 3.31Å; F25-K94 HydrophobicContact CE2-CD 3.99Å; F25-K94 HydrophobicContact CE2-CG 3.77Å; F25-K94 HydrophobicContact CZ-CG 3.97Å; F25-F97 HydrophobicContact CB-CE1 4.15Å; F25-F97 AromaticContact CD1-CD1 3.54Å; F25-F97 HydrophobicContact CD1-CD1 3.54Å; F25-F97 AromaticContact CD1-CE1 3.56Å; F25-F97 HydrophobicContact CD1-CE1 3.56Å; F25-F97 AromaticContact CE1-CD1 3.8Å; F25-F97 HydrophobicContact CE1-CD1 3.8Å; F25-F97 HydrophobicContact CE1-CE1 4.26Å; F25-F97 HydrophobicContact CG-CD1 4.14Å; F25-F97 HydrophobicContact CG-CE1 4.1Å; F25-K98 HydrophobicContact CE1-CB 4.46Å; F25-K98 HydrophobicContact CZ-CB 4.33Å
26E96.6Very high95.3Very high78 Ų7871.7 Ų71.736%0.36434%0.34SS..Hα-helixtrans-54.7-52.6174.2-177.9-175.8-173.900111.3L14 A22 K23 W28 I29 I30 V36L14-E26 HydrophobicContact CD1-CB 3.9Å; A22-E26 WeakPolarHBondContact O-CB 3.49Å; A22-E26 PolarHBondContact O-N 3.28Å; K23-E26 WeakPolarHBondContact CG-OE2 3.49Å; E26-W28 PolarHBondContact O-N 3.31Å; E26-I29 PolarHBondContact O-N 3.14Å; E26-I30 HydrophobicContact CG-CD1 4.09Å; E26-I30 WeakPolarHBondContact O-CD1 3.44Å; E26-I30 VanDerWaalsContact O-CG1 3.29Å; E26-I30 WeakPolarHBondContact O-CG1 3.33Å; E26-I30 PolarHBondContact O-N 3.09Å; E26-I30 VanDerWaalsContact O-N 3.1Å; E26-V36 HydrophobicContact CG-CG1 4.43Å; E26-V36 HydrophobicContact CG-CG2 4.24Å
27Y95Very high95.3Very high136 Ų13671.3 Ų71.353%0.53334%0.339SS..Hα-helixtrans-57.6-46.4176.4-178.6-90.9000112.2K23 I30 E31 M111K23-Y27 WeakPolarHBondContact O-CB 3.49Å; K23-Y27 PolarHBondContact O-N 2.87Å; Y27-I30 PolarHBondContact O-N 2.71Å; Y27-E31 WeakPolarHBondContact O-CB 3.36Å; Y27-E31 PolarHBondContact O-N 2.89Å; Y27-M111 HydrophobicContact CD1-CE 4.09Å; Y27-M111 HydrophobicContact CE1-CE 3.98Å
28W94.9Very high95.2Very high1 Ų171.1 Ų71.10%0.00435%0.347CS..Hα-helixtrans-66.4-41.4-179.2-173.884.3000113.1V7 R24 F25 E26 I30 E31 K32 F97 Y100 V101 V104 F108V7-W28 HydrophobicContact CG1-CZ3 4.11Å; V7-W28 HydrophobicContact CG2-CH2 3.89Å; V7-W28 HydrophobicContact CG2-CZ3 3.82Å; R24-W28 PolarHBondContact O-N 3Å; F25-W28 PolarHBondContact O-N 3.05Å; E26-W28 PolarHBondContact O-N 3.31Å; W28-I30 VanDerWaalsContact C-N 3.3Å; W28-I30 PolarHBondContact O-N 2.98Å; W28-E31 PolarHBondContact O-N 3.4Å; W28-K32 HydrophobicContact CD2-CG 3.93Å; W28-K32 HydrophobicContact CE3-CG 4.17Å; W28-K32 HydrophobicContact CH2-CG 4.03Å; W28-K32 HydrophobicContact CZ2-CD 4.48Å; W28-K32 HydrophobicContact CZ2-CG 3.77Å; W28-K32 HydrophobicContact CZ3-CG 4.21Å; W28-K32 WeakPolarHBondContact O-CG 3.39Å; W28-K32 PolarHBondContact O-N 3.45Å; W28-F97 HydrophobicContact CE3-CZ 4.24Å; W28-F97 HydrophobicContact CZ3-CZ 4.03Å; W28-Y100 HydrophobicContact CH2-CD1 4.27Å; W28-Y100 AromaticContact CH2-CE1 3.99Å; W28-Y100 HydrophobicContact CH2-CE1 3.99Å; W28-Y100 HydrophobicContact CZ3-CE1 4.45Å; W28-V101 HydrophobicContact CD2-CG1 4.01Å; W28-V101 HydrophobicContact CD2-CG2 3.9Å; W28-V101 HydrophobicContact CE3-CG2 3.72Å; W28-V101 HydrophobicContact CG-CG1 4.29Å; W28-V101 HydrophobicContact CH2-CB 4.38Å; W28-V101 HydrophobicContact CH2-CG2 3.74Å; W28-V101 HydrophobicContact CZ2-CB 4.16Å; W28-V101 HydrophobicContact CZ2-CG1 3.96Å; W28-V101 HydrophobicContact CZ2-CG2 3.93Å; W28-V101 HydrophobicContact CZ3-CG2 3.64Å; W28-V104 HydrophobicContact CH2-CB 4.39Å; W28-V104 HydrophobicContact CH2-CG1 4.21Å; W28-V104 HydrophobicContact CZ2-CB 4.15Å; W28-V104 HydrophobicContact CZ2-CG1 3.95Å; W28-F108 HydrophobicContact CB-CD2 4.16Å; W28-F108 HydrophobicContact CB-CE2 3.62Å; W28-F108 HydrophobicContact CB-CZ 4.04Å; W28-F108 AromaticContact CD1-CD2 3.29Å; W28-F108 AromaticContact CD1-CE2 3.71Å; W28-F108 AromaticContact CD1-CG 3.84Å; W28-F108 AromaticContact CG-CD2 3.95Å; W28-F108 HydrophobicContact CG-CD2 3.95Å; W28-F108 AromaticContact CG-CE2 3.92Å; W28-F108 HydrophobicContact CG-CE2 3.92Å; W28-F108 HydrophobicContact CG-CZ 4.42Å
29I96.7Very high95.1Very high0 Ų071.5 Ų71.50%035%0.354CS..Hα-helixtrans-59.8-45.9177.1-72161.9000109.5F12 L14 F25 E26 K32 G33 G34 V36 F97F12-I29 HydrophobicContact CB-CD1 3.88Å; F12-I29 HydrophobicContact CB-CG2 4.39Å; F12-I29 HydrophobicContact CD1-CD1 4.15Å; F12-I29 HydrophobicContact CD2-CD1 4.3Å; F12-I29 HydrophobicContact CD2-CG1 4.31Å; F12-I29 HydrophobicContact CD2-CG2 3.47Å; F12-I29 VanDerWaalsContact CD2-CG2 3.47Å; F12-I29 HydrophobicContact CE2-CG2 3.99Å; F12-I29 HydrophobicContact CG-CD1 3.86Å; F12-I29 HydrophobicContact CG-CG1 4.33Å; F12-I29 HydrophobicContact CG-CG2 4.11Å; L14-I29 HydrophobicContact CD1-CD1 4.37Å; L14-I29 HydrophobicContact CD2-CD1 3.85Å; F25-I29 WeakPolarHBondContact O-CB 3.36Å; F25-I29 WeakPolarHBondContact O-CD1 3.46Å; F25-I29 VanDerWaalsContact O-CG1 3.22Å; F25-I29 WeakPolarHBondContact O-CG1 3.49Å; F25-I29 PolarHBondContact O-N 3.31Å; E26-I29 PolarHBondContact O-N 3.14Å; I29-K32 CarbonylContact O-C 3.57Å; I29-K32 PolarHBondContact O-N 3.19Å; I29-G33 PolarHBondContact O-N 2.86Å; I29-G34 WeakPolarHBondContact O-CA 3.41Å; I29-G34 PolarHBondContact O-N 2.86Å; I29-V36 HydrophobicContact CB-CG2 4Å; I29-V36 HydrophobicContact CD1-CG2 4.29Å; I29-V36 HydrophobicContact CG2-CG2 3.69Å; I29-F97 HydrophobicContact CD1-CE1 4.11Å; I29-F97 HydrophobicContact CD1-CZ 3.91Å; I29-F97 HydrophobicContact CG1-CE1 4.33Å; I29-F97 HydrophobicContact CG1-CZ 3.87Å
30I96.4Very high95Very high100 Ų10069 Ų6951%0.51334%0.335SS..Hα-helixtrans-65.1-42.3177-64.9166.2000111.2E26 Y27 W28 K32 G33 V36E26-I30 HydrophobicContact CG-CD1 4.09Å; E26-I30 WeakPolarHBondContact O-CD1 3.44Å; E26-I30 VanDerWaalsContact O-CG1 3.29Å; E26-I30 WeakPolarHBondContact O-CG1 3.33Å; E26-I30 PolarHBondContact O-N 3.09Å; E26-I30 VanDerWaalsContact O-N 3.1Å; Y27-I30 PolarHBondContact O-N 2.71Å; W28-I30 VanDerWaalsContact C-N 3.3Å; W28-I30 PolarHBondContact O-N 2.98Å; I30-K32 PolarHBondContact O-N 2.86Å; I30-G33 PolarHBondContact O-N 2.98Å; I30-V36 HydrophobicContact CG1-CG2 4.36Å
31E94.3Very high95Very high96 Ų9666 Ų6645%0.44932%0.324SS..Hα-helixtrans-60.5-31175.1-170.3-170.1168.400112.5Y27 W28Y27-E31 WeakPolarHBondContact O-CB 3.36Å; Y27-E31 PolarHBondContact O-N 2.89Å; W28-E31 PolarHBondContact O-N 3.4Å
32K95.4Very high94.8Very high49 Ų4965.9 Ų65.921%0.21334%0.335CS..THydrogen-bonded Turntrans-91.913.4174.1-58.7-45.3-179.6-160.70113.8V7 W28 I29 I30 G34 D105V7-K32 HydrophobicContact CB-CB 4.02Å; V7-K32 HydrophobicContact CG1-CB 3.68Å; W28-K32 HydrophobicContact CD2-CG 3.93Å; W28-K32 HydrophobicContact CE3-CG 4.17Å; W28-K32 HydrophobicContact CH2-CG 4.03Å; W28-K32 HydrophobicContact CZ2-CD 4.48Å; W28-K32 HydrophobicContact CZ2-CG 3.77Å; W28-K32 HydrophobicContact CZ3-CG 4.21Å; W28-K32 WeakPolarHBondContact O-CG 3.39Å; W28-K32 PolarHBondContact O-N 3.45Å; I29-K32 CarbonylContact O-C 3.57Å; I29-K32 PolarHBondContact O-N 3.19Å; I30-K32 PolarHBondContact O-N 2.86Å; K32-G34 VanDerWaalsContact C-N 3.29Å; K32-G34 PolarHBondContact O-N 3.05Å; K32-D105 IonicContact NZ-OD2 2.7Å; K32-D105 PolarHBondContact NZ-OD2 3.22Å
33G96Very high94.7Very high40 Ų4068 Ų6841%0.41235%0.35SS..THydrogen-bonded Turntrans72.317.1175.600000115.1G9 I29 I30G9-G33 PolarHBondContact N-O 3.16Å; I29-G33 PolarHBondContact O-N 2.86Å; I30-G33 PolarHBondContact O-N 2.98Å
34G96.9Very high94.6Very high7 Ų762.4 Ų62.47%0.07233%0.325CS..  trans-86.6162.1168.500000112.2V7 I29 K32V7-G34 WeakPolarHBondContact O-CA 3.46Å; V7-G34 PolarHBondContact O-N 3.13Å; I29-G34 WeakPolarHBondContact O-CA 3.41Å; I29-G34 PolarHBondContact O-N 2.86Å; K32-G34 VanDerWaalsContact C-N 3.29Å; K32-G34 PolarHBondContact O-N 3.05Å
35I96.8Very high94.7Very high93 Ų9359.5 Ų59.548%0.47732%0.321SS..EExtended strand (participates in β ladder)trans-109136.7-177.1-62169.9000108.7S10 R11 F12S10-I35 PolarHBondContact O-N 3.16Å; R11-I35 CarbonylContact C-O 3.59Å; R11-I35 WeakPolarHBondContact CA-O 3.33Å; R11-I35 HydrophobicContact CG-CB 4.17Å; R11-I35 HydrophobicContact CG-CD1 4.47Å; R11-I35 HydrophobicContact CG-CG2 4.29Å; F12-I35 PolarHBondContact N-O 3.14Å
36V97.4Very high94.7Very high35 Ų3559 Ų5921%0.21232%0.319CS..EExtended strand (participates in β ladder)trans-105.4113.2175.3-176.90000110.1F12 L14 E26 I29 I30F12-V36 CarbonylContact O-C 3.46Å; F12-V36 WeakPolarHBondContact O-CA 3.3Å; L14-V36 HydrophobicContact CD1-CG1 4.03Å; L14-V36 HydrophobicContact CG-CG1 4.15Å; E26-V36 HydrophobicContact CG-CG1 4.43Å; E26-V36 HydrophobicContact CG-CG2 4.24Å; I29-V36 HydrophobicContact CB-CG2 4Å; I29-V36 HydrophobicContact CD1-CG2 4.29Å; I29-V36 HydrophobicContact CG2-CG2 3.69Å; I30-V36 HydrophobicContact CG1-CG2 4.36Å
37S96.3Very high94.7Very high9 Ų955.3 Ų55.36%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-70.3129.9173.7-80.60000111.4R11 F12 F13 F39 E44R11-S37 PolarHBondContact NE-OG 3.36Å; R11-S37 PolarHBondContact NH2-OG 3.43Å; F12-S37 PolarHBondContact O-N 2.9Å; F13-S37 WeakPolarHBondContact CD2-O 3.26Å; S37-F39 WeakPolarHBondContact CB-O 3.41Å; S37-E44 WeakPolarHBondContact CB-OE1 3.27Å; S37-E44 PolarHBondContact OG-OE1 2.83Å
38I93.9Very high94.8Very high144 Ų14448.8 Ų48.874%0.73828%0.276SS*.SBendtrans-78.7-33.7174.3-59.8173.8000111.3
39F92.9Very high94.9Very high160 Ų16048.8 Ų48.870%0.70228%0.276SS*.SBendtrans-123.2147177.6-54.3-78000108S37 D41S37-F39 WeakPolarHBondContact CB-O 3.41Å; F39-D41 PolarHBondContact O-N 2.85Å
40L91.3Very high94.9Very high38 Ų3849.8 Ų49.820%0.19928%0.282CS..  trans-79.4107.3172.7-163.279000108.4F13 E44 I47 P80 E83F13-L40 HydrophobicContact CB-CD1 3.74Å; F13-L40 HydrophobicContact CD1-CD1 3.88Å; F13-L40 HydrophobicContact CD2-CB 4.27Å; F13-L40 HydrophobicContact CD2-CD1 4.23Å; F13-L40 HydrophobicContact CE2-CB 4.26Å; F13-L40 HydrophobicContact CG-CB 4.49Å; F13-L40 HydrophobicContact CG-CD1 3.7Å; F13-L40 HydrophobicContact CZ-CB 4.45Å; L40-E44 HydrophobicContact CD1-CB 4.24Å; L40-E44 HydrophobicContact CD1-CG 3.63Å; L40-E44 VanDerWaalsContact CD1-OE2 3.26Å; L40-E44 WeakPolarHBondContact CD1-OE2 3.26Å; L40-I47 HydrophobicContact CD1-CD1 3.51Å; L40-I47 HydrophobicContact CD1-CG1 3.85Å; L40-I47 HydrophobicContact CD2-CD1 4.19Å; L40-I47 HydrophobicContact CG-CD1 4.49Å; L40-P80 HydrophobicContact CD2-CB 4.22Å; L40-P80 WeakPolarHBondContact CD2-O 3.25Å; L40-E83 HydrophobicContact CD2-CB 3.57Å
41D91.5Very high94.9Very high93 Ų9345.1 Ų45.150%0.49726%0.258SS..  trans-102.1-7.5-179.169.322.8000113.3R11 F39 S43 E44R11-D41 IonicContact CZ-OD1 3.06Å; R11-D41 IonicContact CZ-OD2 2.87Å; R11-D41 VanDerWaalsContact CZ-OD2 3.3Å; R11-D41 IonicContact NH1-OD1 2.74Å; R11-D41 IonicContact NH1-OD2 2.68Å; R11-D41 PolarHBondContact NH1-OD2 2.78Å; R11-D41 VanDerWaalsContact NH1-OD2 3.11Å; R11-D41 IonicContact NH2-OD1 3.14Å; R11-D41 IonicContact NH2-OD2 3.64Å; R11-D41 PolarHBondContact NH2-OD2 2.75Å; F39-D41 PolarHBondContact O-N 2.85Å; D41-S43 WeakPolarHBondContact OD1-CA 3.38Å; D41-S43 VanDerWaalsContact OD1-CB 3.3Å; D41-S43 WeakPolarHBondContact OD1-CB 3.48Å; D41-S43 PolarHBondContact OD1-N 3.22Å; D41-S43 PolarHBondContact OD1-OG 3.02Å; D41-E44 PolarHBondContact N-OE1 3.03Å; D41-E44 PolarHBondContact N-OE2 3.01Å; D41-E44 VanDerWaalsContact N-OE2 3.11Å
42G89.9Confident94.8Very high45 Ų4544 Ų4446%0.46426%0.258SS..SBendtrans92.4-2.5-179.600000114E44G42-E44 PolarHBondContact N-OE2 3.41Å
43S93.1Very high94.6Very high62 Ų6244.8 Ų44.843%0.43427%0.265SS..  trans-97.98171.573.50000113.6R11 D41R11-S43 PolarHBondContact NH1-OG 2.74Å; D41-S43 WeakPolarHBondContact OD1-CA 3.38Å; D41-S43 VanDerWaalsContact OD1-CB 3.3Å; D41-S43 WeakPolarHBondContact OD1-CB 3.48Å; D41-S43 PolarHBondContact OD1-N 3.22Å; D41-S43 PolarHBondContact OD1-OG 3.02Å
44E93Very high94.3Very high7 Ų743.1 Ų43.13%0.03325%0.246CC..  trans-61.2130.3167.7-71.169.6-142.400111.7R11 F13 S37 L40 D41 G42 I47 V89R11-E44 IonicContact NH2-OE1 3.9Å; R11-E44 CarbonylContact O-C 3.46Å; R11-E44 WeakPolarHBondContact O-CA 3.32Å; F13-E44 HydrophobicContact CB-CG 3.7Å; S37-E44 WeakPolarHBondContact CB-OE1 3.27Å; S37-E44 PolarHBondContact OG-OE1 2.83Å; L40-E44 HydrophobicContact CD1-CB 4.24Å; L40-E44 HydrophobicContact CD1-CG 3.63Å; L40-E44 VanDerWaalsContact CD1-OE2 3.26Å; L40-E44 WeakPolarHBondContact CD1-OE2 3.26Å; D41-E44 PolarHBondContact N-OE1 3.03Å; D41-E44 PolarHBondContact N-OE2 3.01Å; D41-E44 VanDerWaalsContact N-OE2 3.11Å; G42-E44 PolarHBondContact N-OE2 3.41Å; E44-I47 HydrophobicContact CB-CG1 4.45Å; E44-V89 HydrophobicContact CB-CG1 4.24Å; E44-V89 WeakPolarHBondContact O-CG1 3.42Å
45S94.4Very high93.9Very high44 Ų4445.7 Ų45.731%0.30826%0.258SS..SBendtrans-83.2-24.7170.759.70000112.7S10 R11 P90S10-S45 WeakPolarHBondContact CA-OG 3.38Å; S10-S45 WeakPolarHBondContact CB-OG 3.39Å; S10-S45 PolarHBondContact OG-OG 3.36Å; S10-S45 VanDerWaalsContact OG-OG 3.08Å; R11-S45 PolarHBondContact N-OG 3.13Å; R11-S45 VanDerWaalsContact N-OG 3.13Å; R11-S45 PolarHBondContact O-N 3.18Å; R11-S45 PolarHBondContact O-OG 2.99Å; S45-P90 WeakPolarHBondContact O-CD 3.39Å; S45-P90 WeakPolarHBondContact O-CG 3.38Å
46V96.4Very high93.5Very high2 Ų248.4 Ų48.41%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-148.3139.2-180-175.80000111.5V4 R11 F12 F13 V48 V92V4-V46 HydrophobicContact CG2-CG1 4.14Å; V4-V46 HydrophobicContact CG2-CG2 4.24Å; R11-V46 PolarHBondContact O-N 3.31Å; F12-V46 VanDerWaalsContact CA-O 3.3Å; F12-V46 WeakPolarHBondContact CA-O 3.41Å; F12-V46 HydrophobicContact CD1-CB 3.71Å; F12-V46 HydrophobicContact CD1-CG1 4.05Å; F12-V46 HydrophobicContact CD1-CG2 4.4Å; F12-V46 HydrophobicContact CE1-CB 3.75Å; F12-V46 HydrophobicContact CE1-CG1 4.05Å; F12-V46 HydrophobicContact CE1-CG2 3.96Å; F13-V46 PolarHBondContact N-O 2.59Å; F13-V46 VanDerWaalsContact N-O 3.09Å; V46-V48 HydrophobicContact CG1-CG2 4.35Å; V46-V92 HydrophobicContact CG1-CB 4.34Å; V46-V92 HydrophobicContact CG1-CG2 3.77Å
47I96.7Very high92.9Very high0 Ų050.5 Ų50.50%027%0.271CS..EExtended strand (participates in β ladder)trans-114.1120.8170.3-67.5162.8000109.3F13 L40 E44 L81 A84 V89 P90 I91 V92F13-I47 HydrophobicContact CB-CG1 4.23Å; F13-I47 HydrophobicContact CD1-CG2 4.36Å; F13-I47 WeakPolarHBondContact O-CA 3.39Å; L40-I47 HydrophobicContact CD1-CD1 3.51Å; L40-I47 HydrophobicContact CD1-CG1 3.85Å; L40-I47 HydrophobicContact CD2-CD1 4.19Å; L40-I47 HydrophobicContact CG-CD1 4.49Å; E44-I47 HydrophobicContact CB-CG1 4.45Å; I47-L81 HydrophobicContact CG2-CD2 4.07Å; I47-A84 HydrophobicContact CD1-CB 3.3Å; I47-V89 HydrophobicContact CD1-CB 4.03Å; I47-V89 HydrophobicContact CD1-CG1 3.57Å; I47-V89 HydrophobicContact CG1-CG1 3.79Å; I47-P90 PolarHBondContact N-O 2.72Å; I47-I91 WeakPolarHBondContact O-CA 3.49Å; I47-V92 PolarHBondContact O-N 2.78Å
48V97.3Very high92.5Very high0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-98.3125.9176.5-174.20000108.8F12 F13 L14 H15 I16 V46 V92 F97F12-V48 HydrophobicContact CD1-CG2 4.3Å; F13-V48 PolarHBondContact O-N 3.44Å; L14-V48 HydrophobicContact CD2-CB 3.85Å; L14-V48 HydrophobicContact CD2-CG2 4.08Å; H15-V48 PolarHBondContact N-O 2.69Å; I16-V48 HydrophobicContact CD1-CG1 4.12Å; V46-V48 HydrophobicContact CG1-CG2 4.35Å; V48-V92 WeakPolarHBondContact CA-O 3.41Å; V48-F97 HydrophobicContact CB-CG 4.48Å; V48-F97 HydrophobicContact CG1-CB 3.7Å; V48-F97 HydrophobicContact CG1-CD1 3.88Å; V48-F97 HydrophobicContact CG1-CG 3.85Å; V48-F97 HydrophobicContact CG2-CB 4.26Å; V48-F97 HydrophobicContact CG2-CD1 3.96Å; V48-F97 HydrophobicContact CG2-CD2 3.82Å; V48-F97 HydrophobicContact CG2-CE1 4.25Å; V48-F97 HydrophobicContact CG2-CE2 4.14Å; V48-F97 HydrophobicContact CG2-CG 3.73Å; V48-F97 HydrophobicContact CG2-CZ 4.34Å
49T97.5Very high92Very high0 Ų055.5 Ų55.50%029%0.287CS..EExtended strand (participates in β ladder)trans-133.9144.6-178.9-164.60000115.2H15 D51 Y54 L81 I91 V92 S93 K94H15-T49 PolarHBondContact ND1-OG1 2.89Å; H15-T49 VanDerWaalsContact O-CA 3.26Å; H15-T49 WeakPolarHBondContact O-CA 3.31Å; H15-T49 PolarHBondContact O-OG1 2.8Å; T49-D51 PolarHBondContact OG1-N 2.94Å; T49-Y54 HydrophobicContact CG2-CD1 3.8Å; T49-Y54 HydrophobicContact CG2-CG 3.99Å; T49-L81 HydrophobicContact CG2-CD1 4.29Å; T49-L81 HydrophobicContact CG2-CD2 4.12Å; T49-I91 HydrophobicContact CG2-CG2 3.8Å; T49-V92 PolarHBondContact N-O 3.14Å; T49-S93 CarbonylContact O-C 3.54Å; T49-K94 PolarHBondContact O-N 3.35Å
50D96.6Very high91.6Very high22 Ų2254.4 Ų54.412%0.11828%0.282CS..  trans-104.620.1169.483.1-19.5000114H15 I16 R17 P52 K94H15-D50 PolarHBondContact O-N 3.08Å; I16-D50 WeakPolarHBondContact CA-OD1 3.2Å; I16-D50 HydrophobicContact CG2-CB 4.49Å; R17-D50 WeakPolarHBondContact CB-OD1 3.38Å; R17-D50 WeakPolarHBondContact CD-OD1 3.49Å; R17-D50 VanDerWaalsContact CG-OD1 3.25Å; R17-D50 WeakPolarHBondContact CG-OD1 3.21Å; R17-D50 PolarHBondContact N-OD1 3.19Å; D50-P52 WeakPolarHBondContact O-CD 3.36Å; D50-K94 HydrophobicContact CB-CB 3.89Å; D50-K94 HydrophobicContact CB-CD 3.77Å; D50-K94 HydrophobicContact CB-CG 4.43Å; D50-K94 IonicContact OD2-NZ 2.67Å; D50-K94 PolarHBondContact OD2-NZ 2.89Å
51D95.5Very high91.2Very high2 Ų253.1 Ų53.11%0.01128%0.275CS..  trans-73.1119.4-179.1-156.5-66.9000112.6H15 R17 T49 L53 Y54 N55 P78 L81H15-D51 IonicContact CE1-OD2 3.13Å; R17-D51 IonicContact CZ-OD2 3.81Å; R17-D51 IonicContact NE-OD2 2.65Å; R17-D51 PolarHBondContact NE-OD2 3.22Å; R17-D51 VanDerWaalsContact NH2-CG 3.29Å; R17-D51 IonicContact NH2-OD1 3.04Å; R17-D51 PolarHBondContact NH2-OD1 3.39Å; R17-D51 IonicContact NH2-OD2 2.63Å; R17-D51 PolarHBondContact NH2-OD2 3.28Å; T49-D51 PolarHBondContact OG1-N 2.94Å; D51-L53 PolarHBondContact O-N 2.95Å; D51-L53 VanDerWaalsContact OD1-CB 3.31Å; D51-L53 WeakPolarHBondContact OD1-CB 3.29Å; D51-L53 PolarHBondContact OD1-N 3.08Å; D51-Y54 PolarHBondContact O-N 3.45Å; D51-Y54 VanDerWaalsContact O-N 3.13Å; D51-N55 PolarHBondContact O-N 3Å; D51-N55 VanDerWaalsContact O-N 3.12Å; D51-P78 WeakPolarHBondContact OD2-CG 3.48Å; D51-L81 HydrophobicContact CB-CD1 4.09Å
52P92.8Very high90.5Very high71 Ų7153 Ų5346%0.46128%0.277SS..Hα-helixtrans-67.4-19.8-17929-36.1000113.3D50 K56D50-P52 WeakPolarHBondContact O-CD 3.36Å; P52-K56 WeakPolarHBondContact O-CB 3.37Å; P52-K56 PolarHBondContact O-N 2.94Å
53L91Very high90.1Very high66 Ų6654 Ų5435%0.34628%0.278SS..Hα-helixtrans-72.5-38.8173.2-61177000111D51 Y57 L77D51-L53 PolarHBondContact O-N 2.95Å; D51-L53 VanDerWaalsContact OD1-CB 3.31Å; D51-L53 WeakPolarHBondContact OD1-CB 3.29Å; D51-L53 PolarHBondContact OD1-N 3.08Å; L53-Y57 HydrophobicContact CD2-CE2 4.18Å; L53-Y57 WeakPolarHBondContact O-CB 3.46Å; L53-Y57 VanDerWaalsContact O-CD2 3.25Å; L53-Y57 WeakPolarHBondContact O-CD2 3.35Å; L53-Y57 PolarHBondContact O-N 2.99Å; L53-Y57 VanDerWaalsContact O-N 3.13Å; L53-L77 HydrophobicContact CB-CD2 4.41Å
54Y89.8Confident89.4Confident5 Ų555.7 Ų55.72%0.0228%0.275CS..Hα-helixtrans-63.1-52.4172.8179.6-96000110.3T49 D51 K56 Y57 R58 I61 L81 I91T49-Y54 HydrophobicContact CG2-CD1 3.8Å; T49-Y54 HydrophobicContact CG2-CG 3.99Å; D51-Y54 PolarHBondContact O-N 3.45Å; D51-Y54 VanDerWaalsContact O-N 3.13Å; Y54-K56 VanDerWaalsContact C-N 3.34Å; Y54-K56 PolarHBondContact O-N 2.74Å; Y54-Y57 PolarHBondContact O-N 2.96Å; Y54-R58 HydrophobicContact CE1-CG 4Å; Y54-R58 WeakPolarHBondContact O-CA 3.41Å; Y54-R58 WeakPolarHBondContact O-CB 3.43Å; Y54-R58 PolarHBondContact O-N 3.04Å; Y54-R58 PolarHBondContact OH-NE 2.69Å; Y54-I61 HydrophobicContact CD2-CD1 3.92Å; Y54-I61 HydrophobicContact CD2-CG2 4.37Å; Y54-I61 HydrophobicContact CE2-CG2 4.07Å; Y54-L81 HydrophobicContact CG-CD1 4.5Å; Y54-I91 HydrophobicContact CD1-CG2 4.13Å; Y54-I91 HydrophobicContact CD2-CD1 4.28Å; Y54-I91 HydrophobicContact CD2-CG2 3.98Å; Y54-I91 HydrophobicContact CE1-CB 4.42Å; Y54-I91 HydrophobicContact CE1-CG2 3.75Å; Y54-I91 HydrophobicContact CE2-CB 3.8Å; Y54-I91 HydrophobicContact CE2-CD1 3.83Å; Y54-I91 HydrophobicContact CE2-CG1 4.43Å; Y54-I91 HydrophobicContact CE2-CG2 3.58Å; Y54-I91 HydrophobicContact CG-CG2 4.26Å; Y54-I91 VanDerWaalsContact CZ-CG2 3.47Å; Y54-I91 PolarHBondContact OH-O 3.43Å
55N88.2Confident88.5Confident62 Ų6255.6 Ų55.633%0.33228%0.275SS..Hα-helixtrans-59.7-41.6-179.8-70.55.6000112.4D51 Y57 S93D51-N55 PolarHBondContact O-N 3Å; D51-N55 VanDerWaalsContact O-N 3.12Å; N55-Y57 PolarHBondContact O-N 3.3Å; N55-S93 VanDerWaalsContact OD1-CB 3.24Å; N55-S93 WeakPolarHBondContact OD1-CB 3.22Å
56K88.4Confident87.4Confident149 Ų14958.7 Ų58.765%0.64829%0.292SS*.Hα-helixtrans-68-32.7179.5-177.7176.9-179.9-172.10113.7P52 Y54P52-K56 WeakPolarHBondContact O-CB 3.37Å; P52-K56 PolarHBondContact O-N 2.94Å; Y54-K56 VanDerWaalsContact C-N 3.34Å; Y54-K56 PolarHBondContact O-N 2.74Å
57Y85Confident86.6Confident79 Ų7965.1 Ų65.131%0.3132%0.321SS..Hα-helixtrans-113.36.2-172.9-60.4-57.6000114L53 Y54 N55 E59 K60 I61L53-Y57 HydrophobicContact CD2-CE2 4.18Å; L53-Y57 WeakPolarHBondContact O-CB 3.46Å; L53-Y57 VanDerWaalsContact O-CD2 3.25Å; L53-Y57 WeakPolarHBondContact O-CD2 3.35Å; L53-Y57 PolarHBondContact O-N 2.99Å; L53-Y57 VanDerWaalsContact O-N 3.13Å; Y54-Y57 PolarHBondContact O-N 2.96Å; N55-Y57 PolarHBondContact O-N 3.3Å; Y57-E59 PolarHBondContact O-N 3.38Å; Y57-E59 VanDerWaalsContact O-N 3.16Å; Y57-K60 CarbonylContact O-C 3.59Å; Y57-K60 WeakPolarHBondContact O-CA 3.38Å; Y57-K60 WeakPolarHBondContact O-CB 3.46Å; Y57-K60 PolarHBondContact O-N 3.19Å; Y57-I61 WeakPolarHBondContact O-CG1 3.44Å; Y57-I61 PolarHBondContact O-N 3.12Å
58R86.8Confident85.9Confident87 Ų8769 Ų6933%0.32834%0.339SS..Hα-helixtrans-43.3-53.3-170.5-171.8178.2-172.3-15610.2115.2Y54 K60 I61 V62 E96Y54-R58 HydrophobicContact CE1-CG 4Å; Y54-R58 WeakPolarHBondContact O-CA 3.41Å; Y54-R58 WeakPolarHBondContact O-CB 3.43Å; Y54-R58 PolarHBondContact O-N 3.04Å; Y54-R58 PolarHBondContact OH-NE 2.69Å; R58-K60 VanDerWaalsContact C-N 3.32Å; R58-K60 PolarHBondContact O-N 3.14Å; R58-I61 WeakPolarHBondContact O-CB 3.43Å; R58-I61 PolarHBondContact O-N 2.64Å; R58-I61 VanDerWaalsContact O-N 3.17Å; R58-V62 WeakPolarHBondContact O-CG2 3.21Å; R58-V62 PolarHBondContact O-N 2.91Å; R58-E96 IonicContact CZ-OE1 3.3Å; R58-E96 IonicContact CZ-OE2 2.68Å; R58-E96 IonicContact NH1-OE1 3.84Å; R58-E96 PolarHBondContact NH1-OE1 2.89Å; R58-E96 IonicContact NH1-OE2 3.11Å; R58-E96 PolarHBondContact NH1-OE2 3.38Å; R58-E96 VanDerWaalsContact NH2-CD 3.25Å; R58-E96 IonicContact NH2-OE1 2.71Å; R58-E96 PolarHBondContact NH2-OE1 3.05Å; R58-E96 IonicContact NH2-OE2 2.74Å; R58-E96 PolarHBondContact NH2-OE2 3.15Å
59E83.9Confident84.9Confident172 Ų17272.6 Ų72.680%0.80436%0.363SS*.Hα-helixtrans-60.9-42-179.9-62.8169.4170.600111.7Y57 S63Y57-E59 PolarHBondContact O-N 3.38Å; Y57-E59 VanDerWaalsContact O-N 3.16Å; E59-S63 WeakPolarHBondContact O-CB 3.4Å; E59-S63 PolarHBondContact O-N 3.16Å; E59-S63 PolarHBondContact O-OG 3.04Å
60K85.4Confident84Confident137 Ų13778.2 Ų78.260%0.59640%0.397SS*.Hα-helixtrans-70.6-37.4175-57.1-166.8178.6-166.60111.3Y57 R58 S63 Y64Y57-K60 CarbonylContact O-C 3.59Å; Y57-K60 WeakPolarHBondContact O-CA 3.38Å; Y57-K60 WeakPolarHBondContact O-CB 3.46Å; Y57-K60 PolarHBondContact O-N 3.19Å; R58-K60 VanDerWaalsContact C-N 3.32Å; R58-K60 PolarHBondContact O-N 3.14Å; K60-S63 PolarHBondContact O-OG 3.23Å; K60-Y64 WeakPolarHBondContact O-CA 3.16Å; K60-Y64 WeakPolarHBondContact O-CB 3.38Å; K60-Y64 PolarHBondContact O-N 2.79Å
61I82.8Confident83.3Confident10 Ų1077.7 Ų77.75%0.05140%0.396CS..Hα-helixtrans-60.5-50.5176.9-78.3168000110.4Y54 Y57 R58 L65 L77 I85Y54-I61 HydrophobicContact CD2-CD1 3.92Å; Y54-I61 HydrophobicContact CD2-CG2 4.37Å; Y54-I61 HydrophobicContact CE2-CG2 4.07Å; Y57-I61 WeakPolarHBondContact O-CG1 3.44Å; Y57-I61 PolarHBondContact O-N 3.12Å; R58-I61 WeakPolarHBondContact O-CB 3.43Å; R58-I61 PolarHBondContact O-N 2.64Å; R58-I61 VanDerWaalsContact O-N 3.17Å; I61-L65 HydrophobicContact CB-CD1 4.21Å; I61-L65 HydrophobicContact CG1-CD1 3.9Å; I61-L65 HydrophobicContact CG2-CD1 4.13Å; I61-L65 VanDerWaalsContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CB 3.25Å; I61-L65 PolarHBondContact O-N 3.2Å; I61-L65 VanDerWaalsContact O-N 3.16Å; I61-L77 HydrophobicContact CD1-CD1 4.18Å; I61-L77 HydrophobicContact CD1-CD2 3.98Å; I61-L77 HydrophobicContact CG1-CD1 4.38Å; I61-I85 HydrophobicContact CG2-CD1 3.76Å; I61-I85 HydrophobicContact CG2-CG1 4.44Å
62V75.9Confident82.7Confident90 Ų9086.4 Ų86.455%0.54543%0.433SS..Hα-helixtrans-69.3-36.8-176.4174.90000112.3R58 V66R58-V62 WeakPolarHBondContact O-CG2 3.21Å; R58-V62 PolarHBondContact O-N 2.91Å; V62-V66 VanDerWaalsContact O-CG2 3.29Å; V62-V66 WeakPolarHBondContact O-CG2 3.49Å
63S80.8Confident82.1Confident68 Ų6886.3 Ų86.348%0.47643%0.428SS..Hα-helixtrans-80-53.7177.4510000113.2E59 K60E59-S63 WeakPolarHBondContact O-CB 3.4Å; E59-S63 PolarHBondContact O-N 3.16Å; E59-S63 PolarHBondContact O-OG 3.04Å; K60-S63 PolarHBondContact O-OG 3.23Å
64Y79.5Confident81.8Confident96 Ų9683.3 Ų83.338%0.37641%0.413SS..Hα-helixtrans-83.8-34.3-166.7-171.8-109.8000113.7K60 V66 Q67 H68 L73K60-Y64 WeakPolarHBondContact O-CA 3.16Å; K60-Y64 WeakPolarHBondContact O-CB 3.38Å; K60-Y64 PolarHBondContact O-N 2.79Å; Y64-V66 VanDerWaalsContact C-N 3.34Å; Y64-Q67 PolarHBondContact O-N 3.07Å; Y64-H68 AromaticContact CD2-CD2 3.47Å; Y64-H68 VanDerWaalsContact CD2-CD2 3.47Å; Y64-H68 WeakPolarHBondContact CD2-CD2 3.43Å; Y64-H68 HydrophobicContact CE1-CB 4.22Å; Y64-H68 HydrophobicContact CE2-CB 4.33Å; Y64-H68 AromaticContact CE2-CD2 3.22Å; Y64-H68 WeakPolarHBondContact CE2-CD2 3.25Å; Y64-H68 AromaticContact CE2-CG 3.95Å; Y64-H68 AromaticContact CE2-NE2 3.92Å; Y64-H68 AromaticContact CZ-CD2 3.83Å; Y64-H68 PolarHBondContact O-N 2.95Å; Y64-L73 HydrophobicContact CD1-CD1 4.45Å
65L73.2Confident81.5Confident6 Ų689.4 Ų89.43%0.03144%0.44CS..Hα-helixtrans-80.1-17.1-176.8-59.5-179000113.5I61 Q67 S71 L73 F74 L77 I85I61-L65 HydrophobicContact CB-CD1 4.21Å; I61-L65 HydrophobicContact CG1-CD1 3.9Å; I61-L65 HydrophobicContact CG2-CD1 4.13Å; I61-L65 VanDerWaalsContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CB 3.25Å; I61-L65 PolarHBondContact O-N 3.2Å; I61-L65 VanDerWaalsContact O-N 3.16Å; L65-Q67 VanDerWaalsContact C-N 3.33Å; L65-S71 WeakPolarHBondContact CD2-OG 3.47Å; L65-L73 HydrophobicContact CD2-CB 4.47Å; L65-F74 HydrophobicContact CD1-CD2 4.17Å; L65-F74 HydrophobicContact CD2-CB 4.02Å; L65-F74 HydrophobicContact CD2-CD2 4.35Å; L65-L77 HydrophobicContact CD1-CD1 3.74Å; L65-I85 HydrophobicContact CB-CG2 4.12Å; L65-I85 HydrophobicContact CD1-CD1 3.85Å
66V71.3Confident81.6Confident109 Ų10993.6 Ų93.666%0.66146%0.455SS*.Hα-helixtrans-71.9-30167.41780000111.1V62 Y64V62-V66 VanDerWaalsContact O-CG2 3.29Å; V62-V66 WeakPolarHBondContact O-CG2 3.49Å; Y64-V66 VanDerWaalsContact C-N 3.34Å
67Q79.6Confident81.7Confident136 Ų13686.9 Ų86.964%0.63643%0.426SS*.Hα-helixtrans-91.5-33.8178.9-65.6175.3-19.600113Y64 L65Y64-Q67 PolarHBondContact O-N 3.07Å; L65-Q67 VanDerWaalsContact C-N 3.33Å
68H82Confident82.1Confident81 Ų8184.8 Ų84.838%0.37542%0.422SS..  trans-132.873.4-171.5-58.3-69.8000112.4Y64 T70 S71Y64-H68 AromaticContact CD2-CD2 3.47Å; Y64-H68 VanDerWaalsContact CD2-CD2 3.47Å; Y64-H68 WeakPolarHBondContact CD2-CD2 3.43Å; Y64-H68 HydrophobicContact CE1-CB 4.22Å; Y64-H68 HydrophobicContact CE2-CB 4.33Å; Y64-H68 AromaticContact CE2-CD2 3.22Å; Y64-H68 WeakPolarHBondContact CE2-CD2 3.25Å; Y64-H68 AromaticContact CE2-CG 3.95Å; Y64-H68 AromaticContact CE2-NE2 3.92Å; Y64-H68 AromaticContact CZ-CD2 3.83Å; Y64-H68 PolarHBondContact O-N 2.95Å; H68-T70 PolarHBondContact O-N 2.84Å; H68-S71 WeakPolarHBondContact O-CB 3.31Å; H68-S71 PolarHBondContact O-N 3.43Å; H68-S71 VanDerWaalsContact O-N 3.15Å; H68-S71 PolarHBondContact O-OG 2.86Å
69P76Confident82.3Confident77 Ų7782.4 Ų82.450%0.542%0.421SS..THydrogen-bonded Turntrans-64.3-20.1-179.926.7-35.7000113.7S71P69-S71 VanDerWaalsContact C-N 3.33Å
70T79Confident82.8Confident117 Ų11775.4 Ų75.472%0.71839%0.39SS*.THydrogen-bonded Turntrans-81.7-4.1177.451.20000114.1H68H68-T70 PolarHBondContact O-N 2.84Å
71S81.7Confident83.2Confident12 Ų1268.9 Ų68.98%0.08436%0.362CS..SBendtrans-67.4148.1-169.673.60000114L65 H68 P69 L73 F74 F75L65-S71 WeakPolarHBondContact CD2-OG 3.47Å; H68-S71 WeakPolarHBondContact O-CB 3.31Å; H68-S71 PolarHBondContact O-N 3.43Å; H68-S71 VanDerWaalsContact O-N 3.15Å; H68-S71 PolarHBondContact O-OG 2.86Å; P69-S71 VanDerWaalsContact C-N 3.33Å; S71-L73 PolarHBondContact O-N 3.34Å; S71-F74 VanDerWaalsContact O-CB 3.3Å; S71-F74 WeakPolarHBondContact O-CB 3.13Å; S71-F74 PolarHBondContact O-N 3.48Å; S71-F75 WeakPolarHBondContact O-CD2 3.42Å
72K83.9Confident83.6Confident184 Ų18471.7 Ų71.780%0.837%0.372SS*.THydrogen-bonded Turntrans-60.6-13.1176.3-64.7-178.1-179.5177.80113.8
73L80.3Confident84.4Confident69 Ų6971.2 Ų71.236%0.36136%0.364SS..THydrogen-bonded Turntrans-78.7-37171.4-67.6177.7000112.1Y64 L65 S71 F75 K76Y64-L73 HydrophobicContact CD1-CD1 4.45Å; L65-L73 HydrophobicContact CD2-CB 4.47Å; S71-L73 PolarHBondContact O-N 3.34Å; L73-F75 VanDerWaalsContact C-N 3.35Å; L73-F75 PolarHBondContact O-N 3.32Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-K76 VanDerWaalsContact O-N 3.15Å
74F83.6Confident84.9Confident4 Ų468 Ų682%0.01834%0.341CS..G310 helixtrans-56.6-49177.2-169.5-98.2000111L65 S71 K76 L77 R82 I85 R86L65-F74 HydrophobicContact CD1-CD2 4.17Å; L65-F74 HydrophobicContact CD2-CB 4.02Å; L65-F74 HydrophobicContact CD2-CD2 4.35Å; S71-F74 VanDerWaalsContact O-CB 3.3Å; S71-F74 WeakPolarHBondContact O-CB 3.13Å; S71-F74 PolarHBondContact O-N 3.48Å; F74-K76 PolarHBondContact O-N 3.08Å; F74-L77 WeakPolarHBondContact O-CB 3.24Å; F74-L77 PolarHBondContact O-N 3.26Å; F74-R82 HydrophobicContact CD1-CG 4.18Å; F74-R82 HydrophobicContact CE1-CB 3.7Å; F74-R82 HydrophobicContact CE1-CG 3.85Å; F74-R82 HydrophobicContact CE2-CB 4.14Å; F74-R82 HydrophobicContact CE2-CG 4.34Å; F74-R82 HydrophobicContact CZ-CB 3.47Å; F74-R82 VanDerWaalsContact CZ-CB 3.47Å; F74-R82 HydrophobicContact CZ-CG 3.93Å; F74-R82 WeakPolarHBondContact CZ-O 3.2Å; F74-R82 WeakPolarHBondContact O-CD 3.34Å; F74-R82 WeakPolarHBondContact O-CG 3.43Å; F74-I85 HydrophobicContact CE2-CB 4.27Å; F74-I85 HydrophobicContact CE2-CG2 4.13Å; F74-R86 HydrophobicContact CZ-CG 3.99Å
75F84.1Confident85.4Confident133 Ų13364.6 Ų64.658%0.58333%0.329SS*.G310 helixtrans-63.4-24.1179.6-66.5-80.9000114.4S71 L73 L77 R82S71-F75 WeakPolarHBondContact O-CD2 3.42Å; L73-F75 VanDerWaalsContact C-N 3.35Å; L73-F75 PolarHBondContact O-N 3.32Å; F75-L77 VanDerWaalsContact C-N 3.3Å; F75-R82 PolarHBondContact O-NH1 3.04Å
76K89.6Confident86.2Confident150 Ų15072.6 Ų72.665%0.65236%0.359SS*.G310 helixtrans-77.6-11.6175.8-71.4-177.7179.1-173.40113.5L73 F74L73-K76 PolarHBondContact O-N 2.9Å; L73-K76 VanDerWaalsContact O-N 3.15Å; F74-K76 PolarHBondContact O-N 3.08Å
77L90.6Very high87.1Confident8 Ų870 Ų704%0.04235%0.349CS..SBendtrans-81.2144173.7-65175.9000111.4L53 I61 L65 F74 F75 L81 R82 I85L53-L77 HydrophobicContact CB-CD2 4.41Å; I61-L77 HydrophobicContact CD1-CD1 4.18Å; I61-L77 HydrophobicContact CD1-CD2 3.98Å; I61-L77 HydrophobicContact CG1-CD1 4.38Å; L65-L77 HydrophobicContact CD1-CD1 3.74Å; F74-L77 WeakPolarHBondContact O-CB 3.24Å; F74-L77 PolarHBondContact O-N 3.26Å; F75-L77 VanDerWaalsContact C-N 3.3Å; L77-L81 HydrophobicContact CB-CB 4.4Å; L77-R82 HydrophobicContact CB-CG 3.82Å; L77-R82 WeakPolarHBondContact O-CD 3.29Å; L77-R82 PolarHBondContact O-NH1 3.05Å; L77-I85 HydrophobicContact CD1-CD1 3.57Å
78P93.2Very high87.6Confident35 Ų3572.1 Ų72.123%0.22736%0.356CS..  trans-53.6148.1167.8-26.535.3000112.4D51 L81 R82D51-P78 WeakPolarHBondContact OD2-CG 3.48Å; P78-L81 PolarHBondContact O-N 3.12Å; P78-R82 PolarHBondContact O-N 3.38Å; P78-R82 VanDerWaalsContact O-N 3.16Å
79A92.9Very high88.1Confident36 Ų3669 Ų6930%0.29834%0.343SS..Hα-helixtrans-51.2-46.8-175.600000114.1L81 R82 E83A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 2.83Å; A79-R82 WeakPolarHBondContact O-CA 3.42Å; A79-R82 WeakPolarHBondContact O-CB 3.09Å; A79-R82 PolarHBondContact O-N 2.9Å; A79-E83 PolarHBondContact O-N 3.17Å
80P93.7Very high88.9Confident26 Ų2667.9 Ų67.917%0.16934%0.336CS..Hα-helixtrans-60.7-32.8178.9-24.835.7000113.8F13 L40 A84F13-P80 HydrophobicContact CD1-CB 4.46Å; F13-P80 HydrophobicContact CE1-CB 3.64Å; F13-P80 HydrophobicContact CE1-CG 4.03Å; F13-P80 HydrophobicContact CZ-CB 4.21Å; F13-P80 HydrophobicContact CZ-CG 4.18Å; L40-P80 HydrophobicContact CD2-CB 4.22Å; L40-P80 WeakPolarHBondContact CD2-O 3.25Å; P80-A84 VanDerWaalsContact O-CB 3.23Å; P80-A84 WeakPolarHBondContact O-CB 3.42Å; P80-A84 PolarHBondContact O-N 3.43Å
81L93.5Very high89.7Confident0 Ų063.2 Ų63.20%031%0.306CS..Hα-helixtrans-76.8-25.5176.6-56.9-170.9000112.2I47 T49 D51 Y54 L77 P78 A79 I85 I91I47-L81 HydrophobicContact CG2-CD2 4.07Å; T49-L81 HydrophobicContact CG2-CD1 4.29Å; T49-L81 HydrophobicContact CG2-CD2 4.12Å; D51-L81 HydrophobicContact CB-CD1 4.09Å; Y54-L81 HydrophobicContact CG-CD1 4.5Å; L77-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 PolarHBondContact O-N 3.12Å; A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 2.83Å; L81-I85 VanDerWaalsContact O-CD1 3.24Å; L81-I85 WeakPolarHBondContact O-CD1 3.41Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 3.26Å; L81-I91 HydrophobicContact CD2-CD1 4.38Å; L81-I91 HydrophobicContact CD2-CG2 4.28Å
82R91.1Very high90.3Very high69 Ų6963.1 Ų63.126%0.2631%0.305SS..Hα-helixtrans-74-43.1172.6-65.1-171.9-52.8-137.711.7111.5F74 F75 L77 P78 A79 I85 R86F74-R82 HydrophobicContact CD1-CG 4.18Å; F74-R82 HydrophobicContact CE1-CB 3.7Å; F74-R82 HydrophobicContact CE1-CG 3.85Å; F74-R82 HydrophobicContact CE2-CB 4.14Å; F74-R82 HydrophobicContact CE2-CG 4.34Å; F74-R82 HydrophobicContact CZ-CB 3.47Å; F74-R82 VanDerWaalsContact CZ-CB 3.47Å; F74-R82 HydrophobicContact CZ-CG 3.93Å; F74-R82 WeakPolarHBondContact CZ-O 3.2Å; F74-R82 WeakPolarHBondContact O-CD 3.34Å; F74-R82 WeakPolarHBondContact O-CG 3.43Å; F75-R82 PolarHBondContact O-NH1 3.04Å; L77-R82 HydrophobicContact CB-CG 3.82Å; L77-R82 WeakPolarHBondContact O-CD 3.29Å; L77-R82 PolarHBondContact O-NH1 3.05Å; P78-R82 PolarHBondContact O-N 3.38Å; P78-R82 VanDerWaalsContact O-N 3.16Å; A79-R82 WeakPolarHBondContact O-CA 3.42Å; A79-R82 WeakPolarHBondContact O-CB 3.09Å; A79-R82 PolarHBondContact O-N 2.9Å; R82-I85 PolarHBondContact O-N 2.93Å; R82-R86 WeakPolarHBondContact O-CG 3.36Å; R82-R86 PolarHBondContact O-N 2.98Å
83E92.3Very high90.9Very high79 Ų7954.9 Ų54.937%0.36927%0.271SS..Hα-helixtrans-62.6-45.8173-76.9125.1-14000111.2L40 A79 I85 R86 A87L40-E83 HydrophobicContact CD2-CB 3.57Å; A79-E83 PolarHBondContact O-N 3.17Å; E83-I85 PolarHBondContact O-N 3.26Å; E83-R86 WeakPolarHBondContact O-CB 3.48Å; E83-R86 PolarHBondContact O-N 3.26Å; E83-A87 WeakPolarHBondContact O-CB 3.44Å; E83-A87 PolarHBondContact O-N 3.23Å
84A92.3Very high91.6Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-49.9-51.3172.900000113.5I47 P80 R86 A87 K88 V89 I91I47-A84 HydrophobicContact CD1-CB 3.3Å; P80-A84 VanDerWaalsContact O-CB 3.23Å; P80-A84 WeakPolarHBondContact O-CB 3.42Å; P80-A84 PolarHBondContact O-N 3.43Å; A84-R86 PolarHBondContact O-N 2.87Å; A84-A87 CarbonylContact O-C 3.55Å; A84-A87 PolarHBondContact O-N 2.93Å; A84-K88 PolarHBondContact O-N 3.45Å; A84-V89 PolarHBondContact O-N 2.86Å; A84-I91 HydrophobicContact CB-CD1 3.7Å; A84-I91 HydrophobicContact CB-CG1 3.83Å
85I90.2Very high92.1Very high26 Ų2656.7 Ų56.713%0.13328%0.28CS..Hα-helixtrans-65.4-39.4-177.9-68.8163.9000110.9I61 L65 F74 L77 L81 R82 E83 K88 I91I61-I85 HydrophobicContact CG2-CD1 3.76Å; I61-I85 HydrophobicContact CG2-CG1 4.44Å; L65-I85 HydrophobicContact CB-CG2 4.12Å; L65-I85 HydrophobicContact CD1-CD1 3.85Å; F74-I85 HydrophobicContact CE2-CB 4.27Å; F74-I85 HydrophobicContact CE2-CG2 4.13Å; L77-I85 HydrophobicContact CD1-CD1 3.57Å; L81-I85 VanDerWaalsContact O-CD1 3.24Å; L81-I85 WeakPolarHBondContact O-CD1 3.41Å; L81-I85 WeakPolarHBondContact O-CG1 3.26Å; L81-I85 PolarHBondContact O-N 3.26Å; R82-I85 PolarHBondContact O-N 2.93Å; E83-I85 PolarHBondContact O-N 3.26Å; I85-K88 PolarHBondContact O-N 3.42Å; I85-I91 HydrophobicContact CG1-CD1 3.94Å
86R88.5Confident92.6Very high173 Ų17352.1 Ų52.165%0.65326%0.26SS*.Hα-helixtrans-63.9-45.1175.2-72.3166.1172-177.8-6.3112F74 R82 E83 A84 K88F74-R86 HydrophobicContact CZ-CG 3.99Å; R82-R86 WeakPolarHBondContact O-CG 3.36Å; R82-R86 PolarHBondContact O-N 2.98Å; E83-R86 WeakPolarHBondContact O-CB 3.48Å; E83-R86 PolarHBondContact O-N 3.26Å; A84-R86 PolarHBondContact O-N 2.87Å; R86-K88 PolarHBondContact O-N 2.86Å
87A90.4Very high92.9Very high55 Ų5545 Ų4546%0.45523%0.229SC..THydrogen-bonded Turntrans-77.4-2.4177.800000113.6E83 A84 V89E83-A87 WeakPolarHBondContact O-CB 3.44Å; E83-A87 PolarHBondContact O-N 3.23Å; A84-A87 CarbonylContact O-C 3.55Å; A84-A87 PolarHBondContact O-N 2.93Å; A87-V89 HydrophobicContact CB-CG2 3.8Å; A87-V89 PolarHBondContact O-N 3.41Å
88K90.5Very high93Very high181 Ų18148.9 Ų48.979%0.78725%0.246SC*.THydrogen-bonded Turntrans57.425-175-55.3176.3-177.21740113.8A84 I85 R86A84-K88 PolarHBondContact O-N 3.45Å; I85-K88 PolarHBondContact O-N 3.42Å; R86-K88 PolarHBondContact O-N 2.86Å
89V92.3Very high93.1Very high15 Ų1552.6 Ų52.69%0.09126%0.26CS..PPolyproline II helixtrans-68.7131.6179.1175.90000110E44 I47 A84 A87 I91E44-V89 HydrophobicContact CB-CG1 4.24Å; E44-V89 WeakPolarHBondContact O-CG1 3.42Å; I47-V89 HydrophobicContact CD1-CB 4.03Å; I47-V89 HydrophobicContact CD1-CG1 3.57Å; I47-V89 HydrophobicContact CG1-CG1 3.79Å; A84-V89 PolarHBondContact O-N 2.86Å; A87-V89 HydrophobicContact CB-CG2 3.8Å; A87-V89 PolarHBondContact O-N 3.41Å; V89-I91 PolarHBondContact O-N 3.03Å
90P93.4Very high93.1Very high54 Ų5452.4 Ų52.435%0.35125%0.252SS..PPolyproline II helixtrans-55.9118.6174.9-26.533.5000113.3A3 S45 I47A3-P90 HydrophobicContact CB-CB 4.04Å; S45-P90 WeakPolarHBondContact O-CD 3.39Å; S45-P90 WeakPolarHBondContact O-CG 3.38Å; I47-P90 PolarHBondContact N-O 2.72Å
91I94.6Very high93.1Very high18 Ų1851.2 Ų51.29%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-98.5128171.9-51170000109I47 T49 Y54 L81 A84 I85 V89I47-I91 WeakPolarHBondContact O-CA 3.49Å; T49-I91 HydrophobicContact CG2-CG2 3.8Å; Y54-I91 HydrophobicContact CD1-CG2 4.13Å; Y54-I91 HydrophobicContact CD2-CD1 4.28Å; Y54-I91 HydrophobicContact CD2-CG2 3.98Å; Y54-I91 HydrophobicContact CE1-CB 4.42Å; Y54-I91 HydrophobicContact CE1-CG2 3.75Å; Y54-I91 HydrophobicContact CE2-CB 3.8Å; Y54-I91 HydrophobicContact CE2-CD1 3.83Å; Y54-I91 HydrophobicContact CE2-CG1 4.43Å; Y54-I91 HydrophobicContact CE2-CG2 3.58Å; Y54-I91 HydrophobicContact CG-CG2 4.26Å; Y54-I91 VanDerWaalsContact CZ-CG2 3.47Å; Y54-I91 PolarHBondContact OH-O 3.43Å; L81-I91 HydrophobicContact CD2-CD1 4.38Å; L81-I91 HydrophobicContact CD2-CG2 4.28Å; A84-I91 HydrophobicContact CB-CD1 3.7Å; A84-I91 HydrophobicContact CB-CG1 3.83Å; I85-I91 HydrophobicContact CG1-CD1 3.94Å; V89-I91 PolarHBondContact O-N 3.03Å
92V95.1Very high93.1Very high10 Ų1053.8 Ų53.86%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-120.4134179.9-177.40000108.5A3 V4 V46 I47 V48 T49 E96 F97A3-V92 HydrophobicContact CB-CG2 4.07Å; V4-V92 HydrophobicContact CG2-CG2 4.05Å; V46-V92 HydrophobicContact CG1-CB 4.34Å; V46-V92 HydrophobicContact CG1-CG2 3.77Å; I47-V92 PolarHBondContact O-N 2.78Å; V48-V92 WeakPolarHBondContact CA-O 3.41Å; T49-V92 PolarHBondContact N-O 3.14Å; V92-E96 HydrophobicContact CG1-CB 3.79Å; V92-F97 HydrophobicContact CG1-CB 4.05Å
93S95.5Very high93.2Very high12 Ų1259 Ų598%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-71.2149.9175.466.80000110.8T49 N55 D95 E96 F97T49-S93 CarbonylContact O-C 3.54Å; N55-S93 VanDerWaalsContact OD1-CB 3.24Å; N55-S93 WeakPolarHBondContact OD1-CB 3.22Å; S93-D95 PolarHBondContact O-N 2.73Å; S93-D95 VanDerWaalsContact O-N 3.14Å; S93-E96 WeakPolarHBondContact CB-OE2 3.34Å; S93-E96 PolarHBondContact N-OE2 3.1Å; S93-E96 PolarHBondContact O-N 3.04Å; S93-E96 VanDerWaalsContact O-N 3.16Å; S93-E96 VanDerWaalsContact OG-CG 3.26Å; S93-E96 WeakPolarHBondContact OG-CG 3.42Å; S93-E96 PolarHBondContact OG-N 3.48Å; S93-E96 PolarHBondContact OG-OE2 3.44Å; S93-F97 PolarHBondContact O-N 3.17Å
94K95.5Very high93.2Very high28 Ų2858.7 Ų58.712%0.12228%0.284CS..Hα-helixtrans-51.9-37.6177.7178.9176.562.7-171.80112.3I16 E21 F25 T49 D50 F97 K98I16-K94 HydrophobicContact CG2-CD 4.44Å; E21-K94 IonicContact OE2-NZ 2.74Å; E21-K94 PolarHBondContact OE2-NZ 3.24Å; F25-K94 HydrophobicContact CE2-CD 3.99Å; F25-K94 HydrophobicContact CE2-CG 3.77Å; F25-K94 HydrophobicContact CZ-CG 3.97Å; T49-K94 PolarHBondContact O-N 3.35Å; D50-K94 HydrophobicContact CB-CB 3.89Å; D50-K94 HydrophobicContact CB-CD 3.77Å; D50-K94 HydrophobicContact CB-CG 4.43Å; D50-K94 IonicContact OD2-NZ 2.67Å; D50-K94 PolarHBondContact OD2-NZ 2.89Å; K94-F97 PolarHBondContact O-N 2.91Å; K94-K98 VanDerWaalsContact O-CB 3.26Å; K94-K98 WeakPolarHBondContact O-CB 3.42Å; K94-K98 PolarHBondContact O-N 3.38Å
95D94.5Very high93.1Very high83 Ų8359.3 Ų59.344%0.44429%0.287SS..Hα-helixtrans-76.8-34.1-175.9-54.5-54.1000112.1S93 Q99S93-D95 PolarHBondContact O-N 2.73Å; S93-D95 VanDerWaalsContact O-N 3.14Å; D95-Q99 VanDerWaalsContact O-CG 3.31Å; D95-Q99 WeakPolarHBondContact O-CG 3.36Å; D95-Q99 PolarHBondContact O-N 3.34Å
96E94.6Very high92.9Very high37 Ų3762.3 Ų62.317%0.17331%0.308CS..Hα-helixtrans-67.6-43.5167.8-72.6168.5114.700112.1M1 R58 V92 S93 K98 Q99 Y100M1-E96 HydrophobicContact CE-CB 4.25Å; M1-E96 HydrophobicContact CE-CG 4.42Å; R58-E96 IonicContact CZ-OE1 3.3Å; R58-E96 IonicContact CZ-OE2 2.68Å; R58-E96 IonicContact NH1-OE1 3.84Å; R58-E96 PolarHBondContact NH1-OE1 2.89Å; R58-E96 IonicContact NH1-OE2 3.11Å; R58-E96 PolarHBondContact NH1-OE2 3.38Å; R58-E96 VanDerWaalsContact NH2-CD 3.25Å; R58-E96 IonicContact NH2-OE1 2.71Å; R58-E96 PolarHBondContact NH2-OE1 3.05Å; R58-E96 IonicContact NH2-OE2 2.74Å; R58-E96 PolarHBondContact NH2-OE2 3.15Å; V92-E96 HydrophobicContact CG1-CB 3.79Å; S93-E96 WeakPolarHBondContact CB-OE2 3.34Å; S93-E96 PolarHBondContact N-OE2 3.1Å; S93-E96 PolarHBondContact O-N 3.04Å; S93-E96 VanDerWaalsContact O-N 3.16Å; S93-E96 VanDerWaalsContact OG-CG 3.26Å; S93-E96 WeakPolarHBondContact OG-CG 3.42Å; S93-E96 PolarHBondContact OG-N 3.48Å; S93-E96 PolarHBondContact OG-OE2 3.44Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.49Å; E96-Q99 PolarHBondContact O-N 3.23Å; E96-Y100 WeakPolarHBondContact O-CB 3.47Å; E96-Y100 PolarHBondContact O-N 2.94Å
97F95.4Very high92.7Very high0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-63.7-38.1177.5-170.3-110.6000110.7F12 F25 W28 I29 V48 V92 S93 K94 Y100 V101F12-F97 HydrophobicContact CD1-CE2 4.33Å; F12-F97 HydrophobicContact CD1-CZ 4.49Å; F12-F97 AromaticContact CE1-CE2 3.81Å; F12-F97 HydrophobicContact CE1-CE2 3.81Å; F12-F97 HydrophobicContact CE1-CZ 4.24Å; F25-F97 HydrophobicContact CB-CE1 4.15Å; F25-F97 AromaticContact CD1-CD1 3.54Å; F25-F97 HydrophobicContact CD1-CD1 3.54Å; F25-F97 AromaticContact CD1-CE1 3.56Å; F25-F97 HydrophobicContact CD1-CE1 3.56Å; F25-F97 AromaticContact CE1-CD1 3.8Å; F25-F97 HydrophobicContact CE1-CD1 3.8Å; F25-F97 HydrophobicContact CE1-CE1 4.26Å; F25-F97 HydrophobicContact CG-CD1 4.14Å; F25-F97 HydrophobicContact CG-CE1 4.1Å; W28-F97 HydrophobicContact CE3-CZ 4.24Å; W28-F97 HydrophobicContact CZ3-CZ 4.03Å; I29-F97 HydrophobicContact CD1-CE1 4.11Å; I29-F97 HydrophobicContact CD1-CZ 3.91Å; I29-F97 HydrophobicContact CG1-CE1 4.33Å; I29-F97 HydrophobicContact CG1-CZ 3.87Å; V48-F97 HydrophobicContact CB-CG 4.48Å; V48-F97 HydrophobicContact CG1-CB 3.7Å; V48-F97 HydrophobicContact CG1-CD1 3.88Å; V48-F97 HydrophobicContact CG1-CG 3.85Å; V48-F97 HydrophobicContact CG2-CB 4.26Å; V48-F97 HydrophobicContact CG2-CD1 3.96Å; V48-F97 HydrophobicContact CG2-CD2 3.82Å; V48-F97 HydrophobicContact CG2-CE1 4.25Å; V48-F97 HydrophobicContact CG2-CE2 4.14Å; V48-F97 HydrophobicContact CG2-CG 3.73Å; V48-F97 HydrophobicContact CG2-CZ 4.34Å; V92-F97 HydrophobicContact CG1-CB 4.05Å; S93-F97 PolarHBondContact O-N 3.17Å; K94-F97 PolarHBondContact O-N 2.91Å; F97-Y100 HydrophobicContact CD2-CD1 4.49Å; F97-Y100 HydrophobicContact CE2-CD1 4.33Å; F97-Y100 WeakPolarHBondContact O-CB 3.31Å; F97-Y100 PolarHBondContact O-N 2.86Å; F97-V101 HydrophobicContact CD1-CG2 4.17Å; F97-V101 HydrophobicContact CE1-CG2 3.91Å; F97-V101 HydrophobicContact CZ-CG2 4.15Å; F97-V101 WeakPolarHBondContact O-CB 3.43Å; F97-V101 WeakPolarHBondContact O-CG2 3.47Å; F97-V101 PolarHBondContact O-N 3.2Å
98K94.3Very high92.2Very high90 Ų9061.2 Ų61.239%0.39129%0.293SS..Hα-helixtrans-59.5-50.7170-176.6177.5174.5-69.40111.6F25 K94 E96 Y100 V101 E102F25-K98 HydrophobicContact CE1-CB 4.46Å; F25-K98 HydrophobicContact CZ-CB 4.33Å; K94-K98 VanDerWaalsContact O-CB 3.26Å; K94-K98 WeakPolarHBondContact O-CB 3.42Å; K94-K98 PolarHBondContact O-N 3.38Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.49Å; K98-Y100 VanDerWaalsContact C-N 3.28Å; K98-Y100 PolarHBondContact O-N 3.49Å; K98-V101 WeakPolarHBondContact O-CB 3.49Å; K98-V101 PolarHBondContact O-N 3.29Å; K98-V101 VanDerWaalsContact O-N 3.16Å; K98-E102 WeakPolarHBondContact CE-OE1 3.37Å; K98-E102 HydrophobicContact CG-CG 4.35Å; K98-E102 IonicContact NZ-OE1 2.59Å; K98-E102 PolarHBondContact NZ-OE1 3.13Å; K98-E102 IonicContact NZ-OE2 2.9Å; K98-E102 PolarHBondContact NZ-OE2 2.9Å; K98-E102 WeakPolarHBondContact O-CB 3.44Å; K98-E102 VanDerWaalsContact O-CG 3.25Å; K98-E102 WeakPolarHBondContact O-CG 3.37Å; K98-E102 PolarHBondContact O-N 3.29Å
99Q94Very high91.3Very high112 Ų11256 Ų5652%0.52328%0.276SS..Hα-helixtrans-58.9-37.6176.4-73170.817.200112.9M1 D95 E96 K103M1-Q99 HydrophobicContact CE-CB 3.91Å; D95-Q99 VanDerWaalsContact O-CG 3.31Å; D95-Q99 WeakPolarHBondContact O-CG 3.36Å; D95-Q99 PolarHBondContact O-N 3.34Å; E96-Q99 PolarHBondContact O-N 3.23Å; Q99-K103 WeakPolarHBondContact O-CB 3.41Å; Q99-K103 PolarHBondContact O-N 3.16Å
100Y94.3Very high90.1Very high33 Ų3361.2 Ų61.213%0.12930%0.303CS..Hα-helixtrans-63.2-49173.7175.2-93.9000111.6V4 V7 W28 E96 F97 K98 E102 K103 V104V4-Y100 HydrophobicContact CB-CD1 4.48Å; V4-Y100 HydrophobicContact CB-CD2 4.26Å; V4-Y100 HydrophobicContact CB-CE1 4.19Å; V4-Y100 HydrophobicContact CB-CE2 3.95Å; V4-Y100 HydrophobicContact CG1-CD1 4.19Å; V4-Y100 HydrophobicContact CG1-CE1 3.58Å; V4-Y100 HydrophobicContact CG1-CE2 4.12Å; V4-Y100 WeakPolarHBondContact O-CE2 3.42Å; V4-Y100 PolarHBondContact O-OH 3.04Å; V7-Y100 HydrophobicContact CG2-CE1 3.72Å; W28-Y100 HydrophobicContact CH2-CD1 4.27Å; W28-Y100 AromaticContact CH2-CE1 3.99Å; W28-Y100 HydrophobicContact CH2-CE1 3.99Å; W28-Y100 HydrophobicContact CZ3-CE1 4.45Å; E96-Y100 WeakPolarHBondContact O-CB 3.47Å; E96-Y100 PolarHBondContact O-N 2.94Å; F97-Y100 HydrophobicContact CD2-CD1 4.49Å; F97-Y100 HydrophobicContact CE2-CD1 4.33Å; F97-Y100 WeakPolarHBondContact O-CB 3.31Å; F97-Y100 PolarHBondContact O-N 2.86Å; K98-Y100 VanDerWaalsContact C-N 3.28Å; K98-Y100 PolarHBondContact O-N 3.49Å; Y100-E102 VanDerWaalsContact C-N 3.34Å; Y100-E102 PolarHBondContact O-N 3.34Å; Y100-K103 WeakPolarHBondContact O-CB 3.3Å; Y100-K103 PolarHBondContact O-N 3.41Å; Y100-K103 VanDerWaalsContact O-N 3.16Å; Y100-V104 HydrophobicContact CD1-CG2 4.33Å; Y100-V104 HydrophobicContact CD2-CG2 4.38Å; Y100-V104 HydrophobicContact CE1-CG2 3.95Å; Y100-V104 HydrophobicContact CE2-CG2 4.01Å; Y100-V104 WeakPolarHBondContact O-CG2 3.5Å; Y100-V104 PolarHBondContact O-N 3.24Å
101V93.7Very high88.5Confident1 Ų160.7 Ų60.71%0.00630%0.297CS..Hα-helixtrans-58.3-44.9175.71700000111.4W28 F97 K98 K103 V104 D105 F108W28-V101 HydrophobicContact CD2-CG1 4.01Å; W28-V101 HydrophobicContact CD2-CG2 3.9Å; W28-V101 HydrophobicContact CE3-CG2 3.72Å; W28-V101 HydrophobicContact CG-CG1 4.29Å; W28-V101 HydrophobicContact CH2-CB 4.38Å; W28-V101 HydrophobicContact CH2-CG2 3.74Å; W28-V101 HydrophobicContact CZ2-CB 4.16Å; W28-V101 HydrophobicContact CZ2-CG1 3.96Å; W28-V101 HydrophobicContact CZ2-CG2 3.93Å; W28-V101 HydrophobicContact CZ3-CG2 3.64Å; F97-V101 HydrophobicContact CD1-CG2 4.17Å; F97-V101 HydrophobicContact CE1-CG2 3.91Å; F97-V101 HydrophobicContact CZ-CG2 4.15Å; F97-V101 WeakPolarHBondContact O-CB 3.43Å; F97-V101 WeakPolarHBondContact O-CG2 3.47Å; F97-V101 PolarHBondContact O-N 3.2Å; K98-V101 WeakPolarHBondContact O-CB 3.49Å; K98-V101 PolarHBondContact O-N 3.29Å; K98-V101 VanDerWaalsContact O-N 3.16Å; V101-K103 VanDerWaalsContact C-N 3.26Å; V101-K103 PolarHBondContact O-N 3.14Å; V101-V104 PolarHBondContact O-N 3.42Å; V101-D105 PolarHBondContact O-N 3.22Å; V101-F108 HydrophobicContact CB-CD1 4.49Å; V101-F108 HydrophobicContact CG1-CB 3.79Å; V101-F108 HydrophobicContact CG1-CD1 3.21Å; V101-F108 HydrophobicContact CG1-CD2 4.41Å; V101-F108 HydrophobicContact CG1-CE1 3.83Å; V101-F108 HydrophobicContact CG1-CG 3.54Å
102E92.3Very high86.7Confident54 Ų5463.2 Ų63.225%0.25232%0.316SS..Hα-helixtrans-65.8-28178.9-67-179.7141.500112.7K98 Y100 V109K98-E102 WeakPolarHBondContact CE-OE1 3.37Å; K98-E102 HydrophobicContact CG-CG 4.35Å; K98-E102 IonicContact NZ-OE1 2.59Å; K98-E102 PolarHBondContact NZ-OE1 3.13Å; K98-E102 IonicContact NZ-OE2 2.9Å; K98-E102 PolarHBondContact NZ-OE2 2.9Å; K98-E102 WeakPolarHBondContact O-CB 3.44Å; K98-E102 VanDerWaalsContact O-CG 3.25Å; K98-E102 WeakPolarHBondContact O-CG 3.37Å; K98-E102 PolarHBondContact O-N 3.29Å; Y100-E102 VanDerWaalsContact C-N 3.34Å; Y100-E102 PolarHBondContact O-N 3.34Å; E102-V109 HydrophobicContact CB-CG2 4.19Å; E102-V109 HydrophobicContact CG-CG2 3.71Å
103K93.3Very high84.8Confident178 Ų17868.5 Ų68.577%0.77435%0.348SS*.Hα-helixtrans-78.7-35.6173-175.8-177.3176.7-173.40113Q99 Y100 V101Q99-K103 WeakPolarHBondContact O-CB 3.41Å; Q99-K103 PolarHBondContact O-N 3.16Å; Y100-K103 WeakPolarHBondContact O-CB 3.3Å; Y100-K103 PolarHBondContact O-N 3.41Å; Y100-K103 VanDerWaalsContact O-N 3.16Å; V101-K103 VanDerWaalsContact C-N 3.26Å; V101-K103 PolarHBondContact O-N 3.14Å
104V92.2Very high82.8Confident72 Ų7274.4 Ų74.444%0.43637%0.373SS..Hα-helixtrans-84.5-38.4-176.1171.30000112.4W28 Y100 V101W28-V104 HydrophobicContact CH2-CB 4.39Å; W28-V104 HydrophobicContact CH2-CG1 4.21Å; W28-V104 HydrophobicContact CZ2-CB 4.15Å; W28-V104 HydrophobicContact CZ2-CG1 3.95Å; Y100-V104 HydrophobicContact CD1-CG2 4.33Å; Y100-V104 HydrophobicContact CD2-CG2 4.38Å; Y100-V104 HydrophobicContact CE1-CG2 3.95Å; Y100-V104 HydrophobicContact CE2-CG2 4.01Å; Y100-V104 WeakPolarHBondContact O-CG2 3.5Å; Y100-V104 PolarHBondContact O-N 3.24Å; V101-V104 PolarHBondContact O-N 3.42Å
105D89.9Confident80.8Confident14 Ų1477.2 Ų77.28%0.07539%0.394CS..  trans-140.391.4171.7-157.4-33.4000111.2K32 V101 R107 F108K32-D105 IonicContact NZ-OD2 2.7Å; K32-D105 PolarHBondContact NZ-OD2 3.22Å; V101-D105 PolarHBondContact O-N 3.22Å; D105-R107 PolarHBondContact O-N 2.68Å; D105-R107 WeakPolarHBondContact OD1-CB 3.4Å; D105-R107 IonicContact OD1-CZ 3.54Å; D105-R107 PolarHBondContact OD1-N 3.39Å; D105-R107 IonicContact OD1-NE 2.81Å; D105-R107 PolarHBondContact OD1-NE 3.42Å; D105-R107 IonicContact OD1-NH2 3.41Å; D105-R107 PolarHBondContact OD1-NH2 3.13Å; D105-R107 IonicContact OD2-CZ 3.61Å; D105-R107 IonicContact OD2-NE 3.64Å; D105-R107 IonicContact OD2-NH2 2.75Å; D105-R107 PolarHBondContact OD2-NH2 3.12Å; D105-F108 WeakPolarHBondContact O-CB 3.46Å; D105-F108 PolarHBondContact O-N 3.33Å
106P85.8Confident78.8Confident88 Ų8879.4 Ų79.457%0.57141%0.41SS*.G310 helixtrans-55.8-18.3-180-28.435.7000114.8F108 V109P106-F108 VanDerWaalsContact C-N 3.25Å; P106-F108 PolarHBondContact O-N 3.18Å; P106-V109 WeakPolarHBondContact O-CG2 3.43Å
107R84.1Confident76.5Confident180 Ų18084.3 Ų84.368%0.67943%0.434SS*.G310 helixtrans-68.9-25.1176.3-58.9171.9-67.7-176.13.3112.1D105 V109 N110D105-R107 PolarHBondContact O-N 2.68Å; D105-R107 WeakPolarHBondContact OD1-CB 3.4Å; D105-R107 IonicContact OD1-CZ 3.54Å; D105-R107 PolarHBondContact OD1-N 3.39Å; D105-R107 IonicContact OD1-NE 2.81Å; D105-R107 PolarHBondContact OD1-NE 3.42Å; D105-R107 IonicContact OD1-NH2 3.41Å; D105-R107 PolarHBondContact OD1-NH2 3.13Å; D105-R107 IonicContact OD2-CZ 3.61Å; D105-R107 IonicContact OD2-NE 3.64Å; D105-R107 IonicContact OD2-NH2 2.75Å; D105-R107 PolarHBondContact OD2-NH2 3.12Å; R107-V109 VanDerWaalsContact C-N 3.26Å; R107-V109 PolarHBondContact O-N 2.95Å; R107-N110 PolarHBondContact O-N 2.84Å
108F81Confident74.3Confident25 Ų2587.8 Ų87.811%0.1146%0.463CS..G310 helixtrans-64.6-28.3-178.9-169.4-99.2000113.3R24 W28 V101 D105 P106 N110 M111R24-F108 HydrophobicContact CB-CZ 4.26Å; R24-F108 WeakPolarHBondContact O-CZ 3.11Å; W28-F108 HydrophobicContact CB-CD2 4.16Å; W28-F108 HydrophobicContact CB-CE2 3.62Å; W28-F108 HydrophobicContact CB-CZ 4.04Å; W28-F108 AromaticContact CD1-CD2 3.29Å; W28-F108 AromaticContact CD1-CE2 3.71Å; W28-F108 AromaticContact CD1-CG 3.84Å; W28-F108 AromaticContact CG-CD2 3.95Å; W28-F108 HydrophobicContact CG-CD2 3.95Å; W28-F108 AromaticContact CG-CE2 3.92Å; W28-F108 HydrophobicContact CG-CE2 3.92Å; W28-F108 HydrophobicContact CG-CZ 4.42Å; V101-F108 HydrophobicContact CB-CD1 4.49Å; V101-F108 HydrophobicContact CG1-CB 3.79Å; V101-F108 HydrophobicContact CG1-CD1 3.21Å; V101-F108 HydrophobicContact CG1-CD2 4.41Å; V101-F108 HydrophobicContact CG1-CE1 3.83Å; V101-F108 HydrophobicContact CG1-CG 3.54Å; D105-F108 WeakPolarHBondContact O-CB 3.46Å; D105-F108 PolarHBondContact O-N 3.33Å; P106-F108 VanDerWaalsContact C-N 3.25Å; P106-F108 PolarHBondContact O-N 3.18Å; F108-N110 PolarHBondContact O-N 3.5Å; F108-N110 VanDerWaalsContact O-N 3.08Å; F108-M111 HydrophobicContact CD2-CB 4.35Å; F108-M111 HydrophobicContact CD2-CG 4.13Å; F108-M111 HydrophobicContact CD2-SD 3.37Å; F108-M111 WeakPolarHBondContact CD2-SD 3.48Å; F108-M111 HydrophobicContact CE2-CB 4.4Å; F108-M111 HydrophobicContact CE2-SD 3.67Å; F108-M111 HydrophobicContact CG-SD 4.39Å; F108-M111 WeakPolarHBondContact O-CB 3.42Å; F108-M111 PolarHBondContact O-N 3.4Å
109V71.3Confident72.3Confident72 Ų7289 Ų8944%0.43648%0.48SS..G310 helixtrans-49-38.3174.5-1790000111.5E102 P106 R107 M111E102-V109 HydrophobicContact CB-CG2 4.19Å; E102-V109 HydrophobicContact CG-CG2 3.71Å; P106-V109 WeakPolarHBondContact O-CG2 3.43Å; R107-V109 VanDerWaalsContact C-N 3.26Å; R107-V109 PolarHBondContact O-N 2.95Å; V109-M111 PolarHBondContact O-N 3.09Å
110N68Low70.1Confident124 Ų12491.9 Ų91.966%0.66350%0.496SS*.G310 helixtrans-84.7-3.2-175.7-66.3-26.6000114R107 F108 S112R107-N110 PolarHBondContact O-N 2.84Å; F108-N110 PolarHBondContact O-N 3.5Å; F108-N110 VanDerWaalsContact O-N 3.08Å; N110-S112 PolarHBondContact O-N 3.25Å; N110-S112 VanDerWaalsContact O-N 3.08Å
111M59.5Low68.1Low43 Ų4398.4 Ų98.421%0.21252%0.52CS..G310 helixtrans-74.77.2178.7-66.7-169.268.100114.3Y27 F108 V109 V113 F114Y27-M111 HydrophobicContact CD1-CE 4.09Å; Y27-M111 HydrophobicContact CE1-CE 3.98Å; F108-M111 HydrophobicContact CD2-CB 4.35Å; F108-M111 HydrophobicContact CD2-CG 4.13Å; F108-M111 HydrophobicContact CD2-SD 3.37Å; F108-M111 WeakPolarHBondContact CD2-SD 3.48Å; F108-M111 HydrophobicContact CE2-CB 4.4Å; F108-M111 HydrophobicContact CE2-SD 3.67Å; F108-M111 HydrophobicContact CG-SD 4.39Å; F108-M111 WeakPolarHBondContact O-CB 3.42Å; F108-M111 PolarHBondContact O-N 3.4Å; V109-M111 PolarHBondContact O-N 3.09Å; M111-V113 PolarHBondContact O-N 3.21Å; M111-V113 VanDerWaalsContact O-N 3.11Å; M111-F114 HydrophobicContact CB-CD2 4.02Å; M111-F114 HydrophobicContact CE-CD2 3.81Å; M111-F114 HydrophobicContact CE-CE2 4.14Å; M111-F114 HydrophobicContact CE-CG 4.45Å; M111-F114 HydrophobicContact CG-CD2 3.87Å; M111-F114 HydrophobicContact CG-CE2 3.96Å; M111-F114 PolarHBondContact O-N 2.86Å
112S56.2Low66Low72 Ų72103.1 Ų103.150%0.50355%0.553SS.*G310 helixtrans-58.3-21.1175.459.50000114.1R24 N110R24-S112 PolarHBondContact NH2-O 2.79Å; N110-S112 PolarHBondContact O-N 3.25Å; N110-S112 VanDerWaalsContact O-N 3.08Å
113V55.3Low63.7Low120 Ų120109.6 Ų109.673%0.72758%0.583SS**G310 helixtrans-11918.3-175.1-150.60000113.8M111 P115M111-V113 PolarHBondContact O-N 3.21Å; M111-V113 VanDerWaalsContact O-N 3.11Å; V113-P115 WeakPolarHBondContact O-CD 3.46Å
114F54.3Low61.6Low136 Ų136107.4 Ų107.460%0.59658%0.576SS**  trans-72.9113.2163.8-86.8-79.5000109.5M111M111-F114 HydrophobicContact CB-CD2 4.02Å; M111-F114 HydrophobicContact CE-CD2 3.81Å; M111-F114 HydrophobicContact CE-CE2 4.14Å; M111-F114 HydrophobicContact CE-CG 4.45Å; M111-F114 HydrophobicContact CG-CD2 3.87Å; M111-F114 HydrophobicContact CG-CE2 3.96Å; M111-F114 PolarHBondContact O-N 2.86Å
115P52.5Low59.5Low87 Ų87110.6 Ų110.657%0.56560%0.596SS**  trans-61.6143.1160.629.6-33.7000107.4V113 M117V113-P115 WeakPolarHBondContact O-CD 3.46Å; P115-M117 HydrophobicContact CG-CG 4.46Å; P115-M117 PolarHBondContact O-N 3.28Å
116V52.4Low57.8Low130 Ų130115.2 Ų115.279%0.78862%0.624SS**  trans-69.588171.5-178.50000107.6A118V116-A118 PolarHBondContact O-N 2.87Å
117M46.9Very low56Low139 Ų139116.1 Ų116.169%0.68563%0.63SS**  trans-62.680.6165.8-71.8-71.8-155.300107.4P115 P119P115-M117 HydrophobicContact CG-CG 4.46Å; P115-M117 PolarHBondContact O-N 3.28Å; M117-P119 VanDerWaalsContact O-N 3.09Å
118A50.1Low54.6Low73 Ų73114 Ų11460%0.60364%0.637SS**  trans-49.2121.2165.300000106.3V116 M120V116-A118 PolarHBondContact O-N 2.87Å; A118-M120 PolarHBondContact O-N 3.07Å
119P51.2Low53.6Low115 Ų115121.7 Ų121.775%0.74767%0.674SS**  trans-53.2117.9-15515.4-30.8000109.7M117 R121M117-P119 VanDerWaalsContact O-N 3.09Å; P119-R121 PolarHBondContact O-N 2.99Å
120M47.2Very low52.9Low173 Ų173120.7 Ų120.785%0.85268%0.678SS**  trans-6787.8179.5-72.8-161.488.200107.7A118 S122A118-M120 PolarHBondContact O-N 3.07Å; M120-S122 PolarHBondContact O-N 2.85Å
121R52.6Low53.2Low171 Ų171126.4 Ų126.465%0.64569%0.69SS**  trans-52.3117.4169-76.5-175.7169.9151.31106.6P119P119-R121 PolarHBondContact O-N 2.99Å
122S49.3Very low54.2Low100 Ų100134.4 Ų134.470%0.69972%0.719SS**  trans-44.8141.5168.1360000109.2M120 E124M120-S122 PolarHBondContact O-N 2.85Å; S122-E124 PolarHBondContact O-N 2.98Å
123Q44.1Very low55.4Low189 Ų189133.6 Ų133.688%0.88371%0.709SS**  trans-73.581.7176.8-67.2-175.70.500108.9T125Q123-T125 PolarHBondContact O-N 3.25Å
124E50.9Low56.7Low133 Ų133138 Ų13862%0.62171%0.713SS**  trans-58.3105.7163.4-86.3-173.5129.100108.1S122 V126 R145S122-E124 PolarHBondContact O-N 2.98Å; E124-V126 HydrophobicContact CB-CG2 4.11Å; E124-V126 PolarHBondContact O-N 2.76Å; E124-V126 VanDerWaalsContact O-N 3.1Å; E124-R145 IonicContact OE2-NH2 2.69Å
125T47.9Very low58.2Low139 Ų139140 Ų14085%0.85372%0.721SS**  trans-73.996.3177.348.60000109.8Q123Q123-T125 PolarHBondContact O-N 3.25Å
126V53Low59.8Low110 Ų110140.1 Ų140.167%0.66772%0.722SS**  trans-125.3138.4-174.8177.90000109E124E124-V126 HydrophobicContact CB-CG2 4.11Å; E124-V126 PolarHBondContact O-N 2.76Å; E124-V126 VanDerWaalsContact O-N 3.1Å
127P48.4Very low61.5Low107 Ų107138.5 Ų138.570%0.69570%0.702SS**  trans-83.4135.4-144.628.8-36.4000118E129P127-E129 VanDerWaalsContact C-N 3.32Å; P127-E129 PolarHBondContact O-N 2.7Å
128T54.1Low63.4Low136 Ų136136.8 Ų136.883%0.83470%0.696SS**SBendtrans45.1-23.7138.2-360000123.3
129E60.4Low65.4Low187 Ų187135 Ų13587%0.87468%0.676SS**  trans-109.9-0.6179-66.8-154.4136.200114.8P127 R131P127-E129 VanDerWaalsContact C-N 3.32Å; P127-E129 PolarHBondContact O-N 2.7Å; E129-R131 PolarHBondContact O-N 2.93Å
130G57.7Low67.4Low51 Ų51133.4 Ų133.453%0.52666%0.664SS.*  trans-67.1114.6177.200000113.3Y132G130-Y132 PolarHBondContact O-N 2.86Å
131R73.1Confident69.6Low244 Ų244130.7 Ų130.792%0.92164%0.644SS**  trans-63.1105.8165.4-72.3-172.5-179.5-174.21.8110E129 L133E129-R131 PolarHBondContact O-N 2.93Å; R131-L133 PolarHBondContact O-N 3.46Å
132Y79.9Confident71.4Confident210 Ų210125 Ų12582%0.82463%0.626SS**PPolyproline II helixtrans-62128.8176.1-59.7-80.3000111.8G130G130-Y132 PolarHBondContact O-N 2.86Å
133L82.6Confident73.4Confident55 Ų55129.1 Ų129.129%0.28863%0.634SS.*PPolyproline II helixtrans-63.7145.3172.5-62.6174.3000110.8R131 K135 Y137 I139 I151 E153R131-L133 PolarHBondContact O-N 3.46Å; L133-K135 PolarHBondContact O-N 3.2Å; L133-Y137 HydrophobicContact CB-CD1 3.47Å; L133-Y137 VanDerWaalsContact CB-CD1 3.47Å; L133-Y137 HydrophobicContact CB-CE1 3.69Å; L133-Y137 HydrophobicContact CB-CG 3.99Å; L133-Y137 HydrophobicContact CD1-CD2 4.28Å; L133-Y137 HydrophobicContact CD1-CG 4.32Å; L133-Y137 WeakPolarHBondContact O-CE1 3.31Å; L133-I139 HydrophobicContact CD1-CD1 3.69Å; L133-I139 HydrophobicContact CD1-CG1 4.02Å; L133-I151 HydrophobicContact CD1-CD1 4.08Å; L133-I151 HydrophobicContact CD1-CG1 4.23Å; L133-I151 HydrophobicContact CD1-CG2 3.69Å; L133-I151 HydrophobicContact CD2-CD1 4.41Å; L133-I151 HydrophobicContact CD2-CG2 4.09Å; L133-E153 WeakPolarHBondContact CA-OE1 3.37Å; L133-E153 WeakPolarHBondContact CB-OE1 3.26Å
134R81.7Confident75.8Confident214 Ų214125.2 Ų125.281%0.80862%0.62SS**PPolyproline II helixtrans-82.7117.1-177.4-76.2-175.1171.6-176.7-1.9110.3P136 E153R134-P136 CarbonylContact O-C 3.53Å; R134-E153 PolarHBondContact N-OE1 3.23Å
135K86.3Confident77.7Confident177 Ų177127 Ų12777%0.7762%0.621SS**SBendtrans-64.4144.2174.8-67.5-178-179.5178.80110.6L133 Y137L133-K135 PolarHBondContact O-N 3.2Å; K135-Y137 HydrophobicContact CG-CD1 4Å; K135-Y137 HydrophobicContact CG-CE1 3.6Å
136P86.4Confident79.9Confident90 Ų90127.6 Ų127.658%0.58461%0.611SS**SBendcis-77.3142.8-4.731.4-32.8000112.2R134 P154R134-P136 CarbonylContact O-C 3.53Å; P136-P154 HydrophobicContact CG-CG 4.17Å; P136-P154 VanDerWaalsContact O-CD 3.29Å; P136-P154 WeakPolarHBondContact O-CD 3.44Å; P136-P154 WeakPolarHBondContact O-CG 3.22Å
137Y88Confident81.7Confident95 Ų95130.4 Ų130.437%0.37361%0.611SS.*  trans-141.4158.6173.158.9-107.7000110.1L133 K135 I139 Y152L133-Y137 HydrophobicContact CB-CD1 3.47Å; L133-Y137 VanDerWaalsContact CB-CD1 3.47Å; L133-Y137 HydrophobicContact CB-CE1 3.69Å; L133-Y137 HydrophobicContact CB-CG 3.99Å; L133-Y137 HydrophobicContact CD1-CD2 4.28Å; L133-Y137 HydrophobicContact CD1-CG 4.32Å; L133-Y137 WeakPolarHBondContact O-CE1 3.31Å; K135-Y137 HydrophobicContact CG-CD1 4Å; K135-Y137 HydrophobicContact CG-CE1 3.6Å; Y137-I139 HydrophobicContact CD2-CD1 4.08Å; Y137-I139 HydrophobicContact CD2-CG1 3.7Å; Y137-I139 HydrophobicContact CE2-CD1 3.77Å; Y137-I139 HydrophobicContact CE2-CG1 3.87Å; Y137-Y152 CarbonylContact C-O 3.54Å; Y137-Y152 WeakPolarHBondContact CA-O 3.49Å
138L87Confident83.8Confident104 Ų104136.4 Ų136.455%0.54562%0.62SS.*EExtended strand (participates in β ladder)trans-117.3135.1167.8176.866.1000108.8Y152L138-Y152 PolarHBondContact N-O 2.68Å; L138-Y152 PolarHBondContact O-N 2.9Å
139I91.9Very high85.6Confident35 Ų35132.2 Ų132.218%0.17960%0.595CS.*EExtended strand (participates in β ladder)trans-122.5113.6172.3-44.6177.6000108.5L133 Y137 R141 P149 L150 I151L133-I139 HydrophobicContact CD1-CD1 3.69Å; L133-I139 HydrophobicContact CD1-CG1 4.02Å; Y137-I139 HydrophobicContact CD2-CD1 4.08Å; Y137-I139 HydrophobicContact CD2-CG1 3.7Å; Y137-I139 HydrophobicContact CE2-CD1 3.77Å; Y137-I139 HydrophobicContact CE2-CG1 3.87Å; I139-R141 HydrophobicContact CG2-CG 3.91Å; I139-P149 HydrophobicContact CG2-CB 3.76Å; I139-L150 WeakPolarHBondContact CA-O 3.32Å; I139-I151 HydrophobicContact CG1-CG1 4.45Å; I139-I151 HydrophobicContact CG2-CG1 4.13Å
140V92.6Very high87Confident82 Ų82129.4 Ų129.450%0.49759%0.586SS.*EExtended strand (participates in β ladder)trans-89.5133165.4-175.40000107.6P149 L150V140-P149 WeakPolarHBondContact O-CA 3.34Å; V140-L150 HydrophobicContact CB-CB 4.32Å; V140-L150 PolarHBondContact N-O 3.23Å; V140-L150 PolarHBondContact O-N 2.83Å
141R93.8Very high88.6Confident116 Ų116131.3 Ų131.344%0.43858%0.583SS.*  trans-129.2141.4174.3-62.5-169.4177.3171.6-2.2108I139 P149I139-R141 HydrophobicContact CG2-CG 3.91Å; R141-P149 HydrophobicContact CG-CB 3.95Å; R141-P149 HydrophobicContact CG-CG 3.97Å
142D91Very high89.3Confident52 Ų52127 Ų12728%0.27857%0.567SS.*  trans-58.7144.9156.5167.843.1000110R145 K146 Y147D142-R145 PolarHBondContact O-N 3.1Å; D142-R145 PolarHBondContact OD2-N 2.88Å; D142-K146 WeakPolarHBondContact OD2-CB 3.15Å; D142-K146 PolarHBondContact OD2-N 2.99Å; D142-Y147 HydrophobicContact CB-CD2 3.95Å
143E91.3Very high89.7Confident185 Ų185121.5 Ų121.586%0.86455%0.549SS*.SBendtrans-72.9-42.2-175.8-60-162.114500111.2R145E143-R145 PolarHBondContact O-N 3.39Å; E143-R145 VanDerWaalsContact O-N 3.15Å
144D94.8Very high89.7Confident108 Ų108120.9 Ų120.958%0.57855%0.548SS*.SBendtrans-67.3-9.2172.4-72.2-28000113K146D144-K146 HydrophobicContact CB-CD 3.65Å; D144-K146 HydrophobicContact CB-CG 3.8Å; D144-K146 PolarHBondContact O-N 3.3Å; D144-K146 VanDerWaalsContact O-N 3.16Å; D144-K146 VanDerWaalsContact OD2-CE 3.29Å; D144-K146 WeakPolarHBondContact OD2-CE 3.15Å; D144-K146 IonicContact OD2-NZ 3.67Å; D144-K146 PolarHBondContact OD2-NZ 3.39Å
145R89.5Confident89.5Confident171 Ų171118.6 Ų118.665%0.64555%0.551SS**  trans57.519.3-174.7-47.8-179.7-178-168.20.3114.2E124 D142 E143 Y147E124-R145 IonicContact OE2-NH2 2.69Å; D142-R145 PolarHBondContact O-N 3.1Å; D142-R145 PolarHBondContact OD2-N 2.88Å; E143-R145 PolarHBondContact O-N 3.39Å; E143-R145 VanDerWaalsContact O-N 3.15Å; R145-Y147 VanDerWaalsContact C-N 3.31Å; R145-Y147 PolarHBondContact O-N 3.38Å
146K93.8Very high88.9Confident150 Ų150114 Ų11465%0.65255%0.547SS*.  trans-65.6-32.7179.1-70.1161.6178.8163.90112.2D142 D144D142-K146 WeakPolarHBondContact OD2-CB 3.15Å; D142-K146 PolarHBondContact OD2-N 2.99Å; D144-K146 HydrophobicContact CB-CD 3.65Å; D144-K146 HydrophobicContact CB-CG 3.8Å; D144-K146 PolarHBondContact O-N 3.3Å; D144-K146 VanDerWaalsContact O-N 3.16Å; D144-K146 VanDerWaalsContact OD2-CE 3.29Å; D144-K146 WeakPolarHBondContact OD2-CE 3.15Å; D144-K146 IonicContact OD2-NZ 3.67Å; D144-K146 PolarHBondContact OD2-NZ 3.39Å
147Y91.8Very high87.8Confident170 Ų170116 Ų11667%0.66755%0.546SS*.SBendtrans-103.4147.5-176.5-59.1-78.9000113.3D142 R145D142-Y147 HydrophobicContact CB-CD2 3.95Å; R145-Y147 VanDerWaalsContact C-N 3.31Å; R145-Y147 PolarHBondContact O-N 3.38Å
148R91.1Very high86.2Confident233 Ų233117 Ų11788%0.87957%0.566SS**PPolyproline II helixtrans-58.6127.3175.1-176.2177.4-177.5168.82.7110.2L150R148-L150 PolarHBondContact O-N 3.24Å
149P92.1Very high84.9Confident48 Ų48117.8 Ų117.831%0.31258%0.58SS.*PPolyproline II helixtrans-54.1132.1178.8-30.236.7000113.6I139 V140 R141I139-P149 HydrophobicContact CG2-CB 3.76Å; V140-P149 WeakPolarHBondContact O-CA 3.34Å; R141-P149 HydrophobicContact CG-CB 3.95Å; R141-P149 HydrophobicContact CG-CG 3.97Å
150L90.3Very high83.3Confident128 Ų128121.1 Ų121.167%0.6761%0.607SS**EExtended strand (participates in β ladder)trans-81.3121.7170.1-61.5178.1000108.5I139 V140 R148I139-L150 WeakPolarHBondContact CA-O 3.32Å; V140-L150 HydrophobicContact CB-CB 4.32Å; V140-L150 PolarHBondContact N-O 3.23Å; V140-L150 PolarHBondContact O-N 2.83Å; R148-L150 PolarHBondContact O-N 3.24Å
151I90.9Very high81.6Confident91 Ų91125.9 Ų125.947%0.46762%0.623SS.*EExtended strand (participates in β ladder)trans-116.6124-175.8-61.7162.7000108.8L133 I139 E153L133-I151 HydrophobicContact CD1-CD1 4.08Å; L133-I151 HydrophobicContact CD1-CG1 4.23Å; L133-I151 HydrophobicContact CD1-CG2 3.69Å; L133-I151 HydrophobicContact CD2-CD1 4.41Å; L133-I151 HydrophobicContact CD2-CG2 4.09Å; I139-I151 HydrophobicContact CG1-CG1 4.45Å; I139-I151 HydrophobicContact CG2-CG1 4.13Å; I151-E153 HydrophobicContact CG2-CG 4.14Å
152Y89.3Confident80Confident153 Ų153129.9 Ų129.960%0.664%0.644SS**EExtended strand (participates in β ladder)trans-113.8105172.2176.2-107000109.3Y137 L138 P154Y137-Y152 CarbonylContact C-O 3.54Å; Y137-Y152 WeakPolarHBondContact CA-O 3.49Å; L138-Y152 PolarHBondContact N-O 2.68Å; L138-Y152 PolarHBondContact O-N 2.9Å; Y152-P154 HydrophobicContact CD1-CG 4.45Å; Y152-P154 HydrophobicContact CE1-CB 3.76Å; Y152-P154 HydrophobicContact CE1-CG 4.02Å; Y152-P154 WeakPolarHBondContact O-CD 3.44Å
153E87.9Confident78.6Confident94 Ų94133 Ų13344%0.43967%0.667SS.*  trans-94.997.9167.3-66.6-164.4139.300108.8L133 R134 I151 L155L133-E153 WeakPolarHBondContact CA-OE1 3.37Å; L133-E153 WeakPolarHBondContact CB-OE1 3.26Å; R134-E153 PolarHBondContact N-OE1 3.23Å; I151-E153 HydrophobicContact CG2-CG 4.14Å; E153-L155 PolarHBondContact O-N 3.23Å
154P82.6Confident77Confident42 Ų42129.8 Ų129.827%0.27367%0.665SS.*  trans-60.4121.417025.1-34.4000109.6P136 Y152 A156P136-P154 HydrophobicContact CG-CG 4.17Å; P136-P154 VanDerWaalsContact O-CD 3.29Å; P136-P154 WeakPolarHBondContact O-CD 3.44Å; P136-P154 WeakPolarHBondContact O-CG 3.22Å; Y152-P154 HydrophobicContact CD1-CG 4.45Å; Y152-P154 HydrophobicContact CE1-CB 3.76Å; Y152-P154 HydrophobicContact CE1-CG 4.02Å; Y152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-A156 PolarHBondContact O-N 2.67Å
155L77.8Confident75Confident166 Ų166130.3 Ų130.387%0.86968%0.677SS**  trans-51114.7172.5-74.8171000109.3E153 K157E153-L155 PolarHBondContact O-N 3.23Å; L155-K157 PolarHBondContact O-N 2.69Å
156A72.1Confident73.2Confident82 Ų82127 Ų12768%0.67869%0.687SS**  trans-55.5108.3-17900000109.2P154 C158P154-A156 PolarHBondContact O-N 2.67Å; A156-C158 PolarHBondContact O-N 3.04Å
157K64.5Low71.1Confident131 Ų131123.6 Ų123.657%0.5769%0.694SS**  trans-53.8117.3-179.7-71.8179.4178.2174.90107.5L155 S159 V181L155-K157 PolarHBondContact O-N 2.69Å; K157-S159 PolarHBondContact O-N 3.41Å; K157-V181 PolarHBondContact NZ-O 3.11Å
158C53.8Low69.2Low116 Ų116122 Ų12278%0.78470%0.702SS**  trans-57.5104.9-174.9-58.10000110.1A156 S160A156-C158 PolarHBondContact O-N 3.04Å; C158-S160 PolarHBondContact O-N 3.44Å
159S59.4Low67.1Low120 Ų120116.7 Ų116.784%0.83970%0.701SS**  trans-76.150.117547.40000110.9K157 E161K157-S159 PolarHBondContact O-N 3.41Å; S159-E161 PolarHBondContact O-N 2.87Å; S159-E161 VanDerWaalsContact O-N 3.14Å
160S58.5Low65.1Low106 Ų106117.9 Ų117.974%0.74172%0.721SS**  trans-84.135.9175.966.20000112.1C158C158-S160 PolarHBondContact O-N 3.44Å
161E58Low63.1Low181 Ų181121.8 Ų121.885%0.84673%0.733SS**  trans-97.389.6166-73.8-179.7-169.800107.2S159 P163S159-E161 PolarHBondContact O-N 2.87Å; S159-E161 VanDerWaalsContact O-N 3.14Å; E161-P163 VanDerWaalsContact O-CD 3.26Å; E161-P163 WeakPolarHBondContact O-CD 3.28Å
162K59.7Low61.4Low200 Ų200128 Ų12887%0.8775%0.752SS**  trans-70.8116.2161.3-82.7-172.5172.6-174.60107.2S164K162-S164 PolarHBondContact O-N 3.35Å; K162-S164 VanDerWaalsContact O-N 3.13Å
163P61.5Low59.1Low119 Ų119126.1 Ų126.177%0.77376%0.761SS**  trans-66.5113.6168.927.7-32.6000108.6E161 S165E161-P163 VanDerWaalsContact O-CD 3.26Å; E161-P163 WeakPolarHBondContact O-CD 3.28Å; P163-S165 PolarHBondContact O-N 2.91Å
164S58.1Low57.4Low117 Ų117129.7 Ų129.782%0.81878%0.78SS**  trans-76.688.2172.954.50000109.5K162 A166K162-S164 PolarHBondContact O-N 3.35Å; K162-S164 VanDerWaalsContact O-N 3.13Å; S164-A166 PolarHBondContact O-N 3.46Å
165S52.1Low55.6Low119 Ų119138.5 Ų138.583%0.83281%0.808SS**  trans-72.887.4-177.757.30000112.4P163P163-S165 PolarHBondContact O-N 2.91Å
166A52Low54.3Low102 Ų102136.1 Ų136.184%0.84380%0.802SS**  trans-150.5104.9165.400000109S164S164-A166 PolarHBondContact O-N 3.46Å
167G50.1Low52.9Low78 Ų78137.9 Ų137.980%0.80481%0.808SS**  trans168.392.5-173.500000113
168T52.1Low51.9Low135 Ų135137.8 Ų137.883%0.82882%0.819SS**  trans-36.8123.617442.70000116.7
169S47.1Very low51.4Low123 Ų123138.6 Ų138.686%0.8682%0.82SS**  trans24.798141.358.60000118.9
170G49.2Very low50.7Low72 Ų72141.7 Ų141.774%0.74282%0.818SS**  trans-135.5118.3161.900000111Y172G170-Y172 PolarHBondContact O-N 3.16Å
171K49Very low50.4Low211 Ų211141.7 Ų141.792%0.91781%0.813SS**  trans-81.888.3-178.5-72.3-177.1179.1177.60111.6
172Y55.7Low50Low221 Ų221142.7 Ų142.787%0.86782%0.815SS**  trans-133.6126.5162.3-87.6-79.9000112.4G170G170-Y172 PolarHBondContact O-N 3.16Å
173S39.1Very low49.6Very low114 Ų114137.2 Ų137.280%0.79780%0.801SS**  trans-85.1118.2177.2-178.20000110
174M52.7Low49.1Very low169 Ų169135.5 Ų135.583%0.83379%0.785SS**  trans-131128170.9-81.4-67.7166.800109.8
175R45.1Very low48.7Very low227 Ų227137.8 Ų137.886%0.85778%0.783SS**  trans-73.5137.1-179.1-68178174.6172.7-2.6110.5C177R175-C177 PolarHBondContact O-N 3.15Å
176P51.2Low48.7Very low115 Ų115138.5 Ų138.575%0.74778%0.777SS**  trans-74.7107.6174.629.4-33.2000111.2T178P176-T178 PolarHBondContact O-N 2.9Å
177C41.4Very low48.7Very low119 Ų119137.1 Ų137.180%0.80476%0.76SS**  trans-77.499173.3-67.90000111.2R175 V179R175-C177 PolarHBondContact O-N 3.15Å; C177-V179 VanDerWaalsContact C-N 3.29Å; C177-V179 PolarHBondContact O-N 3.27Å
178T43.6Very low48.8Very low130 Ų130142.2 Ų142.280%0.79876%0.755SS**  trans-80.544.8-17044.30000115.5P176P176-T178 PolarHBondContact O-N 2.9Å
179V44.3Very low48.8Very low133 Ų133140.6 Ų140.681%0.80675%0.745SS**  trans-130.866.1177.5-164.60000112.4C177C177-V179 VanDerWaalsContact C-N 3.29Å; C177-V179 PolarHBondContact O-N 3.27Å
180K45.3Very low49Very low185 Ų185142.9 Ų142.980%0.80474%0.74SS**  trans-139.859.5174.7-75-169.2176.3178.60113.6
181V52Low49.1Very low105 Ų105146.8 Ų146.864%0.63674%0.741SS**SBendtrans-105-39.5178.2-1760000113.7K157K157-V181 PolarHBondContact NZ-O 3.11Å
182F48.4Very low49.3Very low202 Ų202143.6 Ų143.689%0.88673%0.732SS**SBendtrans-86.7-32.4-173-113.6-92.1000115.3L184F182-L184 PolarHBondContact O-N 3.47Å; F182-L184 VanDerWaalsContact O-N 3.12Å
183C52.7Low49.2Very low85 Ų85137.6 Ų137.657%0.57472%0.723SS**THydrogen-bonded Turntrans-67.4-13-175.7-109.80000115.5E185 L186 C187C183-E185 VanDerWaalsContact C-N 3.34Å; C183-E185 PolarHBondContact O-N 3.49Å; C183-L186 PolarHBondContact O-N 3.25Å; C183-C187 PolarHBondContact O-N 2.86Å; C183-C187 PolarHBondContact O-SG 2.74Å
184L50.6Low50Low84 Ų84141.4 Ų141.444%0.4473%0.725SS.*Hα-helixtrans-69.1-25.5-162-146.986.6000114.7F182F182-L184 PolarHBondContact O-N 3.47Å; F182-L184 VanDerWaalsContact O-N 3.12Å
185E49.6Very low49.8Very low165 Ų165139.1 Ų139.177%0.77172%0.721SS**Hα-helixtrans-80.2-43.3177.5-64.3-150.2120.400112.3C183 C187 R188 T189C183-E185 VanDerWaalsContact C-N 3.34Å; C183-E185 PolarHBondContact O-N 3.49Å; E185-C187 VanDerWaalsContact C-N 3.34Å; E185-C187 PolarHBondContact O-N 3.36Å; E185-R188 PolarHBondContact O-N 2.9Å; E185-R188 VanDerWaalsContact O-N 3.14Å; E185-T189 PolarHBondContact O-N 3.39Å
186L52.2Low49.8Very low133 Ų133133.7 Ų133.770%0.69672%0.718SS**Hα-helixtrans-64.4-35.3178.3-75.6167.8000112.6C183 T189C183-L186 PolarHBondContact O-N 3.25Å; L186-T189 PolarHBondContact O-OG1 2.96Å
187C52.3Low49.6Very low73 Ų73140.1 Ų140.149%0.49373%0.727SS.*Hα-helixtrans-69.3-32.8173.9-64.60000112.8C183 E185 M191C183-C187 PolarHBondContact O-N 2.86Å; C183-C187 PolarHBondContact O-SG 2.74Å; E185-C187 VanDerWaalsContact C-N 3.34Å; E185-C187 PolarHBondContact O-N 3.36Å; C187-M191 PolarHBondContact O-N 2.95Å
188R50.8Low49.9Very low185 Ų185142.7 Ų142.770%0.69873%0.732SS**Hα-helixtrans-73.7-25.5-176.5-96.5-175.4170.5174.40.2114.1E185E185-R188 PolarHBondContact O-N 2.9Å; E185-R188 VanDerWaalsContact O-N 3.14Å
189T51.8Low50Low101 Ų101142.2 Ų142.262%0.6273%0.734SS**Hα-helixtrans-80.9-40.1174.649.10000112.4E185 L186 M191E185-T189 PolarHBondContact O-N 3.39Å; L186-T189 PolarHBondContact O-OG1 2.96Å; T189-M191 PolarHBondContact O-N 3.17Å
190K53.1Low50.1Low171 Ų171144.2 Ų144.274%0.74374%0.739SS**Hα-helixtrans-69.8-27.6178.7-75.6-165.1172.6-169.60114.7S193K190-S193 PolarHBondContact O-OG 2.68Å
191M51.4Low50.2Low155 Ų155140 Ų14076%0.76474%0.738SS**THydrogen-bonded Turntrans-80.3-14-178.1-80.7-70.8173.900115.2C187 T189C187-M191 PolarHBondContact O-N 2.95Å; T189-M191 PolarHBondContact O-N 3.17Å
192L52.6Low49.8Very low143 Ų143139.8 Ų139.875%0.74975%0.748SS**THydrogen-bonded Turntrans-98.72.2-174.8-72.9173.5000114.6
193S54.2Low49.5Very low95 Ų95134.6 Ų134.666%0.66474%0.736SS**SBendtrans-101.4-8.5-179.549.70000115.1K190K190-S193 PolarHBondContact O-OG 2.68Å
194K55.6Low49.7Very low195 Ų195136.8 Ų136.885%0.84875%0.749SS**SBendtrans-101.68.8-176.3-74.7-161172.2-168.20115.9
195T46.8Very low50Low120 Ų120142.6 Ų142.674%0.73677%0.765SS**  trans-12661.6-175.343.70000114.3
196S45.7Very low50.4Low114 Ų114145.2 Ų145.280%0.79777%0.774SS**  trans-152.554.5175-174.70000114.5
197R47.7Very low50.6Low249 Ų249144.5 Ų144.594%0.9477%0.769SS**  trans-163.178.8164-110.3171.2-166-161.93.8111.7
198L48Very low51Low173 Ų173152.1 Ų152.191%0.90679%0.788SS**  trans-136.2106.6161.9-83.3178.7000109.5L200L198-L200 PolarHBondContact O-N 2.81Å
199S44.7Very low51.2Low120 Ų120146 Ų14684%0.83978%0.782SS**  trans-81.2101.4175.549.10000110.5A201S199-A201 PolarHBondContact O-N 3.43Å
200L47.4Very low51.5Low176 Ų176151.4 Ų151.492%0.92179%0.793SS**  trans-84.499.6167.7-77.2171.7000109.8L198L198-L200 PolarHBondContact O-N 2.81Å
201A47.3Very low51.9Low95 Ų95147.2 Ų147.279%0.78578%0.778SS**  trans-68.3165.717300000112.1S199S199-A201 PolarHBondContact O-N 3.43Å
202A43.6Very low52.5Low101 Ų101147.8 Ų147.884%0.83578%0.776SS**  trans-56.6140.9-164.500000116.2
203C41.5Very low53.2Low94 Ų94148.7 Ų148.764%0.63578%0.776SS**  trans-141.596.7152.7-164.10000110.1R205C203-R205 VanDerWaalsContact C-N 3.31Å; C203-R205 PolarHBondContact O-N 3.19Å
204P57.5Low53.9Low130 Ų130151.8 Ų151.884%0.84478%0.778SS**  trans-78.872.9-173.932.4-35.9000112.2
205R56.6Low54.5Low206 Ų206146.6 Ų146.678%0.77776%0.758SS**  trans-86.3134.9171.2-70.1-175.9175.3178.7-1.3110.7C203 I207C203-R205 VanDerWaalsContact C-N 3.31Å; C203-R205 PolarHBondContact O-N 3.19Å; R205-I207 VanDerWaalsContact C-N 3.33Å; R205-I207 PolarHBondContact O-N 2.88Å
206K58.4Low55.6Low220 Ų220143.9 Ų143.996%0.95774%0.744SS**  trans-7080.9-179.3-67.3179.2179.1176.80111.3R208K206-R208 PolarHBondContact O-N 3.2Å
207I56.6Low56.6Low118 Ų118140.9 Ų140.961%0.60573%0.726SS**  trans-72120.4179.1-63.1178.6000110.2R205 L211R205-I207 VanDerWaalsContact C-N 3.33Å; R205-I207 PolarHBondContact O-N 2.88Å; I207-L211 HydrophobicContact CD1-CD2 4.27Å; I207-L211 HydrophobicContact CG2-CB 3.7Å; I207-L211 HydrophobicContact CG2-CD2 4.09Å; I207-L211 HydrophobicContact CG2-CG 4.31Å
208R60Low57.4Low234 Ų234131.6 Ų131.688%0.88370%0.703SS**  trans-57.8143.3178.5-146.5171.7-174.31750.7110.2K206 Y210K206-R208 PolarHBondContact O-N 3.2Å; R208-Y210 PolarHBondContact O-N 3.01Å
209G55.4Low58.4Low55 Ų55129 Ų12957%0.56769%0.686SS**THydrogen-bonded Turntrans-55.1-14.4-156.400000119.4L211 K212G209-L211 PolarHBondContact O-N 2.96Å; G209-L211 VanDerWaalsContact O-N 3.14Å; G209-K212 PolarHBondContact O-N 3.14Å
210Y58.4Low59.3Low216 Ų216126.7 Ų126.785%0.84767%0.67SS**Hα-helixtrans-60.7-22.5-178.5-120.2-93000114.8R208R208-Y210 PolarHBondContact O-N 3.01Å
211L60.6Low59.8Low82 Ų82125.3 Ų125.343%0.42966%0.657SS.*Hα-helixtrans-78.9-24.6177.8-121.179.1000114I207 G209 H213 K214 I215I207-L211 HydrophobicContact CD1-CD2 4.27Å; I207-L211 HydrophobicContact CG2-CB 3.7Å; I207-L211 HydrophobicContact CG2-CD2 4.09Å; I207-L211 HydrophobicContact CG2-CG 4.31Å; G209-L211 PolarHBondContact O-N 2.96Å; G209-L211 VanDerWaalsContact O-N 3.14Å; L211-H213 VanDerWaalsContact C-N 3.32Å; L211-H213 PolarHBondContact O-N 2.98Å; L211-K214 PolarHBondContact O-N 2.88Å; L211-I215 PolarHBondContact O-N 3.09Å
212K64.9Low60.4Low168 Ų168127.9 Ų127.973%0.7366%0.656SS**Hα-helixtrans-58.9-41.5-176.9-93-167170.4-171.40112.3G209 K214 I215 S216G209-K212 PolarHBondContact O-N 3.14Å; K212-K214 VanDerWaalsContact C-N 3.34Å; K212-K214 PolarHBondContact O-N 2.81Å; K212-I215 PolarHBondContact O-N 3.26Å; K212-S216 WeakPolarHBondContact O-CB 3.41Å; K212-S216 PolarHBondContact O-N 2.8Å
213H66.6Low61Low162 Ų162125.9 Ų125.975%0.7565%0.646SS**Hα-helixtrans-66.5-32.3176.6-74.5-73.3000113.3L211 A217L211-H213 VanDerWaalsContact C-N 3.32Å; L211-H213 PolarHBondContact O-N 2.98Å; H213-A217 VanDerWaalsContact O-CB 3.3Å; H213-A217 WeakPolarHBondContact O-CB 3.4Å; H213-A217 PolarHBondContact O-N 3.33Å; H213-A217 VanDerWaalsContact O-N 3.09Å
214K68.5Low61.7Low160 Ų160129.8 Ų129.870%0.69665%0.647SS**Hα-helixtrans-74.3-36.8175.6-75.1-166.5174-174.60112.8L211 K212 A218L211-K214 PolarHBondContact O-N 2.88Å; K212-K214 VanDerWaalsContact C-N 3.34Å; K212-K214 PolarHBondContact O-N 2.81Å; K214-A218 PolarHBondContact O-N 2.83Å; K214-A218 VanDerWaalsContact O-N 3.14Å
215I68.6Low61.7Low85 Ų85133.2 Ų133.244%0.43665%0.649SS.*Hα-helixtrans-66-49.6174.8-64.8169.5000110L211 K212 A217 A218 E219L211-I215 PolarHBondContact O-N 3.09Å; K212-I215 PolarHBondContact O-N 3.26Å; I215-A217 VanDerWaalsContact C-N 3.28Å; I215-A217 PolarHBondContact O-N 3.14Å; I215-A218 WeakPolarHBondContact O-CA 3.06Å; I215-A218 WeakPolarHBondContact O-CB 3.22Å; I215-A218 PolarHBondContact O-N 3.5Å; I215-E219 HydrophobicContact CG2-CG 4.44Å; I215-E219 WeakPolarHBondContact O-CG 3.47Å; I215-E219 PolarHBondContact O-N 2.88Å
216S70.2Confident61.9Low63 Ų63134.4 Ų134.444%0.44165%0.653SS.*Hα-helixtrans-61.8-33.5178.6-173.50000113.1K212 S220K212-S216 WeakPolarHBondContact O-CB 3.41Å; K212-S216 PolarHBondContact O-N 2.8Å; S216-S220 WeakPolarHBondContact O-CB 3.45Å; S216-S220 PolarHBondContact O-N 2.85Å; S216-S220 PolarHBondContact O-OG 2.91Å
217A66.4Low62Low52 Ų52129.7 Ų129.743%0.4365%0.646SS.*Hα-helixtrans-67.7-33.3171.500000113.4H213 I215 F221H213-A217 VanDerWaalsContact O-CB 3.3Å; H213-A217 WeakPolarHBondContact O-CB 3.4Å; H213-A217 PolarHBondContact O-N 3.33Å; H213-A217 VanDerWaalsContact O-N 3.09Å; I215-A217 VanDerWaalsContact C-N 3.28Å; I215-A217 PolarHBondContact O-N 3.14Å; A217-F221 PolarHBondContact O-N 2.88Å
218A64.5Low62.1Low54 Ų54135.6 Ų135.645%0.44666%0.66SS.*Hα-helixtrans-72.6-42.5174.900000111.9K214 I215 S220 F221 L222K214-A218 PolarHBondContact O-N 2.83Å; K214-A218 VanDerWaalsContact O-N 3.14Å; I215-A218 WeakPolarHBondContact O-CA 3.06Å; I215-A218 WeakPolarHBondContact O-CB 3.22Å; I215-A218 PolarHBondContact O-N 3.5Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-S220 PolarHBondContact O-N 2.98Å; A218-F221 WeakPolarHBondContact O-CA 3.01Å; A218-F221 WeakPolarHBondContact O-CB 3.44Å; A218-F221 PolarHBondContact O-N 3.29Å; A218-L222 PolarHBondContact O-N 3.49Å; A218-L222 VanDerWaalsContact O-N 3.08Å
219E68.6Low62.1Low117 Ų117135.7 Ų135.755%0.54766%0.661SS.*Hα-helixtrans-59.9-42.2173.3-68.3166.3161.800111.1I215 F221 L222 G223I215-E219 HydrophobicContact CG2-CG 4.44Å; I215-E219 WeakPolarHBondContact O-CG 3.47Å; I215-E219 PolarHBondContact O-N 2.88Å; E219-F221 PolarHBondContact O-N 3.39Å; E219-L222 PolarHBondContact O-N 2.97Å; E219-L222 VanDerWaalsContact O-N 3.09Å; E219-G223 PolarHBondContact O-N 3.15Å
220S63.2Low62.2Low72 Ų72141.8 Ų141.850%0.50367%0.674SS.*Hα-helixtrans-60.3-23.1172.3-61.60000113.9S216 A218S216-S220 WeakPolarHBondContact O-CB 3.45Å; S216-S220 PolarHBondContact O-N 2.85Å; S216-S220 PolarHBondContact O-OG 2.91Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-S220 PolarHBondContact O-N 2.98Å
221F59.3Low62.2Low147 Ų147142.6 Ų142.665%0.64568%0.675SS**Hα-helixtrans-84.9-33.5173.9-108.5-91.1000112.8A217 A218 E219 R224A217-F221 PolarHBondContact O-N 2.88Å; A218-F221 WeakPolarHBondContact O-CA 3.01Å; A218-F221 WeakPolarHBondContact O-CB 3.44Å; A218-F221 PolarHBondContact O-N 3.29Å; E219-F221 PolarHBondContact O-N 3.39Å; F221-R224 PolarHBondContact O-N 3.33Å
222L58.9Low62.6Low149 Ų149144.1 Ų144.178%0.7869%0.688SS**Hα-helixtrans-71.2-33.8174.1-64.2173000112.1A218 E219 R224A218-L222 PolarHBondContact O-N 3.49Å; A218-L222 VanDerWaalsContact O-N 3.08Å; E219-L222 PolarHBondContact O-N 2.97Å; E219-L222 VanDerWaalsContact O-N 3.09Å; L222-R224 PolarHBondContact O-N 2.8Å
223G57Low63Low60 Ų60140.7 Ų140.762%0.61968%0.677SS**THydrogen-bonded Turntrans-64.2-14.8175.600000115E219 K225E219-G223 PolarHBondContact O-N 3.15Å; G223-K225 VanDerWaalsContact C-N 3.32Å; G223-K225 PolarHBondContact O-N 3.27Å
224R55Low63.3Low175 Ų175142.7 Ų142.766%0.6668%0.678SS**SBendtrans-72.886.1174.1-64.8-172.3-176.2-156.40.1110.1F221 L222 R226F221-R224 PolarHBondContact O-N 3.33Å; L222-R224 PolarHBondContact O-N 2.8Å; R224-R226 PolarHBondContact O-N 2.91Å
225K58.6Low64Low202 Ų202142.1 Ų142.188%0.87867%0.672SS**  trans-42.1104.1167-70179.7-179.1175.30108.7G223G223-K225 VanDerWaalsContact C-N 3.32Å; G223-K225 PolarHBondContact O-N 3.27Å
226R61.2Low65Low231 Ų231143.2 Ų143.287%0.87267%0.674SS**PPolyproline II helixtrans-53.3130174.2-71.7179.4176.1167-0.6106.6R224 R228R224-R226 PolarHBondContact O-N 2.91Å; R226-R228 PolarHBondContact O-N 3.13Å
227P59.5Low66.1Low122 Ų122144.9 Ų144.979%0.79268%0.681SS**PPolyproline II helixtrans-52.6122.3177.221.9-32.3000107.1R229P227-R229 PolarHBondContact O-N 3.2Å
228R58.6Low67.6Low242 Ų242143 Ų14391%0.91367%0.665SS**PPolyproline II helixtrans-52.1117.8-179.6-82.2-176.9169.6-179.6-3.5105.6R226 H230R226-R228 PolarHBondContact O-N 3.13Å; R228-H230 PolarHBondContact O-N 2.97Å
229R60.3Low69.1Low236 Ų236149.9 Ų149.989%0.89169%0.685SS**PPolyproline II helixtrans-47.4122.4178.5-71.7-178.8177175.5-1.8106.3P227 R231P227-R229 PolarHBondContact O-N 3.2Å; R229-R231 VanDerWaalsContact C-N 3.28Å; R229-R231 PolarHBondContact O-N 2.96Å
230H57.2Low70.4Confident183 Ų183147.7 Ų147.785%0.84768%0.676SS**  trans-56102.2172.6-91.5-91.1000106.5R228 T232R228-H230 PolarHBondContact O-N 2.97Å; H230-T232 PolarHBondContact O-N 3.42Å
231R59.3Low72Confident232 Ų232145.1 Ų145.188%0.87566%0.658SS**  trans-6599.6161.4-75.3-174.7173.5-171.8-2.3103R229 I233R229-R231 VanDerWaalsContact C-N 3.28Å; R229-R231 PolarHBondContact O-N 2.96Å; R231-I233 PolarHBondContact O-N 3.27Å
232T68.4Low73.7Confident114 Ų114146.4 Ų146.470%0.69966%0.664SS**  trans-58.3108.6170.235.70000105.9H230 R234H230-T232 PolarHBondContact O-N 3.42Å; T232-R234 PolarHBondContact O-N 3.49Å
233I72.3Confident75.5Confident96 Ų96143.2 Ų143.249%0.49265%0.647SS.*  trans-62.8104.2178.7-65.5178.2000105.1R231 Y235 V246R231-I233 PolarHBondContact O-N 3.27Å; I233-Y235 VanDerWaalsContact C-N 3.26Å; I233-Y235 HydrophobicContact CB-CE2 4.07Å; I233-Y235 HydrophobicContact CG2-CD2 4.13Å; I233-Y235 HydrophobicContact CG2-CE1 4.23Å; I233-Y235 HydrophobicContact CG2-CE2 3.78Å; I233-Y235 HydrophobicContact CG2-CG 4.49Å; I233-Y235 WeakPolarHBondContact O-CD2 3.11Å; I233-Y235 PolarHBondContact O-N 3.48Å; I233-V246 HydrophobicContact CG2-CB 4.23Å; I233-V246 HydrophobicContact CG2-CG1 3.71Å; I233-V246 HydrophobicContact CG2-CG2 3.58Å
234R73.1Confident77.3Confident205 Ų205145.5 Ų145.577%0.77465%0.645SS**  trans-81.383.4179-72-171.2179.4-168.6-0.9107.2T232 K236T232-R234 PolarHBondContact O-N 3.49Å; R234-K236 PolarHBondContact O-N 2.91Å
235Y83Confident79.3Confident147 Ų147138.3 Ų138.358%0.57662%0.619SS**  trans-48.3131.2164-62.2-87.4000108.8I233 D244 F245 V246I233-Y235 VanDerWaalsContact C-N 3.26Å; I233-Y235 HydrophobicContact CB-CE2 4.07Å; I233-Y235 HydrophobicContact CG2-CD2 4.13Å; I233-Y235 HydrophobicContact CG2-CE1 4.23Å; I233-Y235 HydrophobicContact CG2-CE2 3.78Å; I233-Y235 HydrophobicContact CG2-CG 4.49Å; I233-Y235 WeakPolarHBondContact O-CD2 3.11Å; I233-Y235 PolarHBondContact O-N 3.48Å; Y235-D244 HydrophobicContact CD1-CB 4.47Å; Y235-F245 WeakPolarHBondContact CA-O 3.29Å; Y235-V246 HydrophobicContact CD1-CG2 3.73Å; Y235-V246 HydrophobicContact CE1-CG2 3.49Å; Y235-V246 VanDerWaalsContact CE1-CG2 3.49Å
236K89.7Confident80.9Confident108 Ų108132.7 Ų132.747%0.4760%0.601SS.*EExtended strand (participates in β ladder)trans-114139.1174.8-67.4172.2-179.7174.60107.4R234 D244 F245R234-K236 PolarHBondContact O-N 2.91Å; K236-D244 CarbonylContact O-C 3.59Å; K236-D244 WeakPolarHBondContact O-CA 3.34Å; K236-F245 HydrophobicContact CB-CD1 4.3Å; K236-F245 HydrophobicContact CB-CD2 4.17Å; K236-F245 HydrophobicContact CB-CE1 3.82Å; K236-F245 HydrophobicContact CB-CE2 3.71Å; K236-F245 HydrophobicContact CB-CG 4.46Å; K236-F245 HydrophobicContact CB-CZ 3.52Å; K236-F245 HydrophobicContact CD-CE2 3.64Å; K236-F245 HydrophobicContact CD-CZ 3.89Å; K236-F245 HydrophobicContact CG-CE2 4.3Å; K236-F245 HydrophobicContact CG-CZ 4.39Å; K236-F245 PolarHBondContact N-O 2.9Å; K236-F245 WeakPolarHBondContact O-CD1 3.24Å; K236-F245 WeakPolarHBondContact O-CE1 3.19Å; K236-F245 PolarHBondContact O-N 3.22Å
237V94.8Very high82.4Confident98 Ų98125.6 Ų125.659%0.59458%0.58SS**EExtended strand (participates in β ladder)trans-88.3128.9174.3-154.30000109.2D244V237-D244 WeakPolarHBondContact CG2-OD1 3.45Å
238C96.9Very high84.1Confident14 Ų14123.5 Ų123.510%0.09556%0.562CS.*  trans-77.6123.8167.2-178.50000109.8L240 C241 K242 L243 F245 H251C238-L240 VanDerWaalsContact C-N 3.32Å; C238-L240 PolarHBondContact O-N 2.99Å; C238-C241 HydrophobicContact CB-CB 4.25Å; C238-K242 WeakPolarHBondContact O-CA 3.37Å; C238-K242 PolarHBondContact O-N 3.26Å; C238-L243 PolarHBondContact N-O 3.01Å; C238-F245 HydrophobicContact CB-CD1 4Å; C238-F245 HydrophobicContact CB-CE1 3.84Å; C238-H251 WeakPolarHBondContact CB-NE2 3.34Å; C238-H251 PolarHBondContact SG-NE2 3.16Å
239K95.7Very high86Confident198 Ų198118.4 Ų118.486%0.86155%0.546SS*.THydrogen-bonded Turntrans-64.6-34.6-179.9-70.9-172.5176.3-175.70113.2
240L96.4Very high87.7Confident70 Ų70113.9 Ų113.937%0.36654%0.536SS..THydrogen-bonded Turntrans-73.5-60.6179.9-57.5-178000110.5C238 K242 V260 V261 T266C238-L240 VanDerWaalsContact C-N 3.32Å; C238-L240 PolarHBondContact O-N 2.99Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.22Å; L240-V260 HydrophobicContact CB-CG1 3.85Å; L240-V261 HydrophobicContact CD1-CG2 4.08Å; L240-T266 HydrophobicContact CD1-CG2 4.41Å; L240-T266 HydrophobicContact CD2-CG2 4.07Å
241C96.4Very high89.6Confident19 Ų19105.9 Ų105.913%0.12850%0.499CS..THydrogen-bonded Turntrans-75.3-17.2-175.9-480000114.3C238 L243 H257C238-C241 HydrophobicContact CB-CB 4.25Å; C241-L243 HydrophobicContact CB-CB 4.24Å; C241-L243 HydrophobicContact CB-CD1 4.27Å; C241-L243 HydrophobicContact CB-CG 4.09Å; C241-L243 PolarHBondContact O-N 3.15Å; C241-H257 PolarHBondContact SG-ND1 2.95Å
242K96.4Very high91.5Very high174 Ų17498.8 Ų98.876%0.75748%0.477SS*.  trans56.826.1-170.7-56.3171.5-172.9167.20113.7C238 L240C238-K242 WeakPolarHBondContact O-CA 3.37Å; C238-K242 PolarHBondContact O-N 3.26Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.22Å
243L95.5Very high92.9Very high81 Ų8197.9 Ų97.942%0.42447%0.465SS..  trans-106.1143.5179-65.5-179.7000111.8C238 C241 V256C238-L243 PolarHBondContact N-O 3.01Å; C241-L243 HydrophobicContact CB-CB 4.24Å; C241-L243 HydrophobicContact CB-CD1 4.27Å; C241-L243 HydrophobicContact CB-CG 4.09Å; C241-L243 PolarHBondContact O-N 3.15Å; L243-V256 HydrophobicContact CD1-CB 4.44Å; L243-V256 HydrophobicContact CD1-CG1 3.94Å
244D95.8Very high94.1Very high109 Ų10994.6 Ų94.658%0.58345%0.451SS*.EExtended strand (participates in β ladder)trans-76.2136.6168.4-76.5-25.3000111.1Y235 K236 V237Y235-D244 HydrophobicContact CD1-CB 4.47Å; K236-D244 CarbonylContact O-C 3.59Å; K236-D244 WeakPolarHBondContact O-CA 3.34Å; V237-D244 WeakPolarHBondContact CG2-OD1 3.45Å
245F95.3Very high95.3Very high24 Ų2490 Ų9011%0.10545%0.447CS..EExtended strand (participates in β ladder)trans-135.2156.5175.865.3-92.6000112.7Y235 K236 C238 D247 L248 H251Y235-F245 WeakPolarHBondContact CA-O 3.29Å; K236-F245 HydrophobicContact CB-CD1 4.3Å; K236-F245 HydrophobicContact CB-CD2 4.17Å; K236-F245 HydrophobicContact CB-CE1 3.82Å; K236-F245 HydrophobicContact CB-CE2 3.71Å; K236-F245 HydrophobicContact CB-CG 4.46Å; K236-F245 HydrophobicContact CB-CZ 3.52Å; K236-F245 HydrophobicContact CD-CE2 3.64Å; K236-F245 HydrophobicContact CD-CZ 3.89Å; K236-F245 HydrophobicContact CG-CE2 4.3Å; K236-F245 HydrophobicContact CG-CZ 4.39Å; K236-F245 PolarHBondContact N-O 2.9Å; K236-F245 WeakPolarHBondContact O-CD1 3.24Å; K236-F245 WeakPolarHBondContact O-CE1 3.19Å; K236-F245 PolarHBondContact O-N 3.22Å; C238-F245 HydrophobicContact CB-CD1 4Å; C238-F245 HydrophobicContact CB-CE1 3.84Å; F245-D247 VanDerWaalsContact CD2-O 3.28Å; F245-D247 WeakPolarHBondContact CD2-O 3.29Å; F245-L248 HydrophobicContact CE2-CB 3.93Å; F245-L248 HydrophobicContact CE2-CD1 3.65Å; F245-L248 HydrophobicContact CE2-CG 4.4Å; F245-L248 HydrophobicContact CZ-CD1 3.69Å; F245-H251 HydrophobicContact CB-CB 3.69Å; F245-H251 HydrophobicContact CD1-CB 4.2Å; F245-H251 AromaticContact CD1-CD2 3.87Å; F245-H251 AromaticContact CD1-CG 3.73Å; F245-H251 HydrophobicContact CD2-CB 3.98Å; F245-H251 HydrophobicContact CG-CB 3.71Å; F245-H251 AromaticContact CG-CG 3.74Å
246V92.7Very high96Very high83 Ų8386.6 Ų86.650%0.50344%0.442SS..SBendtrans-101.7-57.8-179.9173.70000110.8I233 Y235I233-V246 HydrophobicContact CG2-CB 4.23Å; I233-V246 HydrophobicContact CG2-CG1 3.71Å; I233-V246 HydrophobicContact CG2-CG2 3.58Å; Y235-V246 HydrophobicContact CD1-CG2 3.73Å; Y235-V246 HydrophobicContact CE1-CG2 3.49Å; Y235-V246 VanDerWaalsContact CE1-CG2 3.49Å
247D94.1Very high96.4Very high82 Ų8282.4 Ų82.444%0.43942%0.424SS..  trans-94.9139.7169.2-155.6-63.6000110.4F245 K249 E250 H251F245-D247 VanDerWaalsContact CD2-O 3.28Å; F245-D247 WeakPolarHBondContact CD2-O 3.29Å; D247-K249 WeakPolarHBondContact OD1-CB 3.34Å; D247-K249 PolarHBondContact OD1-N 3.42Å; D247-E250 HydrophobicContact CB-CB 4.25Å; D247-E250 HydrophobicContact CB-CG 4.01Å; D247-H251 PolarHBondContact O-N 3.06Å
248L95Very high96.6Very high78 Ų7884.1 Ų84.141%0.40842%0.42SS..Hα-helixtrans-74.2-36.8177.6178.561000111.1F245 H251 L252F245-L248 HydrophobicContact CE2-CB 3.93Å; F245-L248 HydrophobicContact CE2-CD1 3.65Å; F245-L248 HydrophobicContact CE2-CG 4.4Å; F245-L248 HydrophobicContact CZ-CD1 3.69Å; L248-H251 PolarHBondContact O-N 3.23Å; L248-L252 HydrophobicContact CD1-CD1 4.12Å; L248-L252 HydrophobicContact CD1-CD2 4.36Å; L248-L252 HydrophobicContact CD1-CG 4.02Å; L248-L252 HydrophobicContact CG-CD1 3.99Å; L248-L252 HydrophobicContact CG-CG 4.3Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.49Å; L248-L252 PolarHBondContact O-N 3.26Å
249K96.9Very high96.7Very high135 Ų13590 Ų9059%0.58745%0.446SS*.Hα-helixtrans-66.7-50.8-177-176.4176175.2178.70110.8D247 H251 L252 E253D247-K249 WeakPolarHBondContact OD1-CB 3.34Å; D247-K249 PolarHBondContact OD1-N 3.42Å; K249-H251 PolarHBondContact O-N 2.96Å; K249-L252 PolarHBondContact O-N 3.16Å; K249-E253 WeakPolarHBondContact CE-OE1 3.44Å; K249-E253 IonicContact NZ-OE1 2.76Å; K249-E253 WeakPolarHBondContact O-CB 3.23Å; K249-E253 WeakPolarHBondContact O-CG 3.07Å; K249-E253 PolarHBondContact O-N 2.79Å
250E97.1Very high96.8Very high142 Ų14282.2 Ų82.266%0.66441%0.414SS*.Hα-helixtrans-57.1-35.3175.3-62-179.9156.200111.9D247 S254D247-E250 HydrophobicContact CB-CB 4.25Å; D247-E250 HydrophobicContact CB-CG 4.01Å; E250-S254 PolarHBondContact O-N 2.92Å; E250-S254 VanDerWaalsContact O-N 3.14Å
251H97.7Very high96.8Very high15 Ų1581.3 Ų81.37%0.06941%0.412CS..Hα-helixtrans-69.3-48.6176.2-178.865.1000113C238 F245 D247 L248 K249 E253 S254 H257C238-H251 WeakPolarHBondContact CB-NE2 3.34Å; C238-H251 PolarHBondContact SG-NE2 3.16Å; F245-H251 HydrophobicContact CB-CB 3.69Å; F245-H251 HydrophobicContact CD1-CB 4.2Å; F245-H251 AromaticContact CD1-CD2 3.87Å; F245-H251 AromaticContact CD1-CG 3.73Å; F245-H251 HydrophobicContact CD2-CB 3.98Å; F245-H251 HydrophobicContact CG-CB 3.71Å; F245-H251 AromaticContact CG-CG 3.74Å; D247-H251 PolarHBondContact O-N 3.06Å; L248-H251 PolarHBondContact O-N 3.23Å; K249-H251 PolarHBondContact O-N 2.96Å; H251-E253 PolarHBondContact O-N 2.92Å; H251-S254 VanDerWaalsContact O-CB 3.25Å; H251-S254 WeakPolarHBondContact O-CB 3.26Å; H251-S254 PolarHBondContact O-N 2.92Å; H251-S254 PolarHBondContact O-OG 3.01Å; H251-H257 AromaticContact CD2-ND1 3.65Å; H251-H257 AromaticContact CE1-ND1 3.95Å; H251-H257 AromaticContact NE2-CE1 3.92Å; H251-H257 AromaticContact NE2-CG 3.83Å; H251-H257 AromaticContact NE2-ND1 3.07Å; H251-H257 PolarHBondContact NE2-ND1 2.93Å; H251-H257 WeakPolarHBondContact O-CB 3.41Å
252L97.7Very high96.9Very high82 Ų8287.7 Ų87.743%0.42944%0.439SS..Hα-helixtrans-63.7-32.2178.2-65.4175.6000111.8L248 K249 S254 H257L248-L252 HydrophobicContact CD1-CD1 4.12Å; L248-L252 HydrophobicContact CD1-CD2 4.36Å; L248-L252 HydrophobicContact CD1-CG 4.02Å; L248-L252 HydrophobicContact CG-CD1 3.99Å; L248-L252 HydrophobicContact CG-CG 4.3Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.49Å; L248-L252 PolarHBondContact O-N 3.26Å; K249-L252 PolarHBondContact O-N 3.16Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-H257 VanDerWaalsContact CD2-NE2 3.28Å; L252-H257 WeakPolarHBondContact CD2-NE2 3.42Å
253E98Very high97Very high96 Ų9681.4 Ų81.445%0.44942%0.417SS..Hα-helixtrans-78.2-12.5175.3-71.1173.7-179.600113.5K249 H251 R258K249-E253 WeakPolarHBondContact CE-OE1 3.44Å; K249-E253 IonicContact NZ-OE1 2.76Å; K249-E253 WeakPolarHBondContact O-CB 3.23Å; K249-E253 WeakPolarHBondContact O-CG 3.07Å; K249-E253 PolarHBondContact O-N 2.79Å; H251-E253 PolarHBondContact O-N 2.92Å; E253-R258 VanDerWaalsContact O-CZ 3.32Å; E253-R258 PolarHBondContact O-NE 3.18Å; E253-R258 VanDerWaalsContact O-NE 3.15Å; E253-R258 PolarHBondContact O-NH2 3.11Å
254S98.1Very high97Very high27 Ų2785.9 Ų85.919%0.18944%0.436CS..SBendtrans-67.2144.5-177.876.70000112.9E250 H251 L252 V256 H257 R258E250-S254 PolarHBondContact O-N 2.92Å; E250-S254 VanDerWaalsContact O-N 3.14Å; H251-S254 VanDerWaalsContact O-CB 3.25Å; H251-S254 WeakPolarHBondContact O-CB 3.26Å; H251-S254 PolarHBondContact O-N 2.92Å; H251-S254 PolarHBondContact O-OG 3.01Å; L252-S254 VanDerWaalsContact C-N 3.31Å; S254-V256 PolarHBondContact O-N 2.94Å; S254-H257 PolarHBondContact O-N 3.49Å; S254-H257 VanDerWaalsContact O-N 3.12Å; S254-H257 WeakPolarHBondContact OG-CB 3.45Å; S254-H257 PolarHBondContact OG-N 3.35Å; S254-R258 WeakPolarHBondContact O-CG 3.29Å; S254-R258 PolarHBondContact O-N 3.23Å
255P98.2Very high97.1Very high108 Ų10887 Ų8770%0.70144%0.442SS*.Hα-helixtrans-63.4-30.6-178.924.8-34.1000112.8R258 H259P255-R258 PolarHBondContact O-N 3.31Å; P255-H259 WeakPolarHBondContact O-CB 3.45Å; P255-H259 PolarHBondContact O-N 2.56Å
256V97.9Very high97.2Very high75 Ų7587.8 Ų87.846%0.45545%0.449SS..Hα-helixtrans-66.2-41.5175.4-176.20000111.1L243 S254 V260L243-V256 HydrophobicContact CD1-CB 4.44Å; L243-V256 HydrophobicContact CD1-CG1 3.94Å; S254-V256 PolarHBondContact O-N 2.94Å; V256-V260 WeakPolarHBondContact O-CG2 3.19Å; V256-V260 PolarHBondContact O-N 3.35Å
257H98.4Very high97.4Very high20 Ų2088.7 Ų88.79%0.09344%0.444CS..Hα-helixtrans-67.1-45.4176.5-167.882.9000111.6C241 H251 L252 S254 H259 V260 V261C241-H257 PolarHBondContact SG-ND1 2.95Å; H251-H257 AromaticContact CD2-ND1 3.65Å; H251-H257 AromaticContact CE1-ND1 3.95Å; H251-H257 AromaticContact NE2-CE1 3.92Å; H251-H257 AromaticContact NE2-CG 3.83Å; H251-H257 AromaticContact NE2-ND1 3.07Å; H251-H257 PolarHBondContact NE2-ND1 2.93Å; H251-H257 WeakPolarHBondContact O-CB 3.41Å; L252-H257 VanDerWaalsContact CD2-NE2 3.28Å; L252-H257 WeakPolarHBondContact CD2-NE2 3.42Å; S254-H257 PolarHBondContact O-N 3.49Å; S254-H257 VanDerWaalsContact O-N 3.12Å; S254-H257 WeakPolarHBondContact OG-CB 3.45Å; S254-H257 PolarHBondContact OG-N 3.35Å; H257-H259 PolarHBondContact O-N 3.4Å; H257-V260 PolarHBondContact O-N 3.03Å; H257-V261 WeakPolarHBondContact NE2-CG2 3.34Å; H257-V261 WeakPolarHBondContact O-CB 3.3Å; H257-V261 WeakPolarHBondContact O-CG2 3.46Å; H257-V261 PolarHBondContact O-N 2.75Å
258R98.3Very high97.5Very high134 Ų13490 Ų9051%0.50645%0.445SS..Hα-helixtrans-57.7-47.8176.9-67.7178.4-177-177.53.1111.9E253 S254 P255 V260 V261 Q262E253-R258 VanDerWaalsContact O-CZ 3.32Å; E253-R258 PolarHBondContact O-NE 3.18Å; E253-R258 VanDerWaalsContact O-NE 3.15Å; E253-R258 PolarHBondContact O-NH2 3.11Å; S254-R258 WeakPolarHBondContact O-CG 3.29Å; S254-R258 PolarHBondContact O-N 3.23Å; P255-R258 PolarHBondContact O-N 3.31Å; R258-V260 PolarHBondContact O-N 3.37Å; R258-V261 PolarHBondContact O-N 3.44Å; R258-Q262 WeakPolarHBondContact O-CB 3.37Å; R258-Q262 VanDerWaalsContact O-CG 3.24Å; R258-Q262 WeakPolarHBondContact O-CG 3.3Å; R258-Q262 PolarHBondContact O-N 3.16Å; R258-Q262 PolarHBondContact O-OE1 2.65Å
259H98.3Very high97.5Very high139 Ų13989.8 Ų89.864%0.64446%0.455SS*.Hα-helixtrans-62.6-41.4179.4-17753.5000112.9P255 H257 Q262 S263P255-H259 WeakPolarHBondContact O-CB 3.45Å; P255-H259 PolarHBondContact O-N 2.56Å; H257-H259 PolarHBondContact O-N 3.4Å; H259-Q262 PolarHBondContact O-N 3.22Å; H259-S263 PolarHBondContact O-N 2.87Å
260V97.9Very high97.4Very high34 Ų3488.5 Ų88.521%0.20645%0.454CS..Hα-helixtrans-66.1-40.9175.31740000111.5L240 V256 H257 R258 Q262 S263 T266L240-V260 HydrophobicContact CB-CG1 3.85Å; V256-V260 WeakPolarHBondContact O-CG2 3.19Å; V256-V260 PolarHBondContact O-N 3.35Å; H257-V260 PolarHBondContact O-N 3.03Å; R258-V260 PolarHBondContact O-N 3.37Å; V260-Q262 VanDerWaalsContact C-N 3.28Å; V260-Q262 PolarHBondContact O-N 2.63Å; V260-S263 PolarHBondContact O-N 3.13Å; V260-T266 HydrophobicContact CG1-CG2 4.34Å; V260-T266 WeakPolarHBondContact O-CB 3.46Å; V260-T266 PolarHBondContact O-OG1 3.08Å
261V97.8Very high97.3Very high51 Ų5185.5 Ų85.531%0.30944%0.442SS..Hα-helixtrans-69.2-24.1176.4166.80000112.8L240 H257 R258 W267L240-V261 HydrophobicContact CD1-CG2 4.08Å; H257-V261 WeakPolarHBondContact NE2-CG2 3.34Å; H257-V261 WeakPolarHBondContact O-CB 3.3Å; H257-V261 WeakPolarHBondContact O-CG2 3.46Å; H257-V261 PolarHBondContact O-N 2.75Å; R258-V261 PolarHBondContact O-N 3.44Å; V261-W267 HydrophobicContact CG1-CZ2 4.22Å; V261-W267 HydrophobicContact CG2-CZ2 4.41Å; V261-W267 PolarHBondContact O-NE1 2.76Å
262Q98Very high97.3Very high152 Ų15290 Ų9071%0.7146%0.463SS*.THydrogen-bonded Turntrans-90.3-2.5176.5-71.7172.7-41.200113.8R258 H259 V260R258-Q262 WeakPolarHBondContact O-CB 3.37Å; R258-Q262 VanDerWaalsContact O-CG 3.24Å; R258-Q262 WeakPolarHBondContact O-CG 3.3Å; R258-Q262 PolarHBondContact O-N 3.16Å; R258-Q262 PolarHBondContact O-OE1 2.65Å; H259-Q262 PolarHBondContact O-N 3.22Å; V260-Q262 VanDerWaalsContact C-N 3.28Å; V260-Q262 PolarHBondContact O-N 2.63Å
263S98Very high97.1Very high42 Ų4288.3 Ų88.329%0.29446%0.462SS..  trans-84.5127.2175.8177.70000110.7H259 V260 D265 T266H259-S263 PolarHBondContact O-N 2.87Å; V260-S263 PolarHBondContact O-N 3.13Å; S263-D265 VanDerWaalsContact C-N 3.29Å; S263-D265 PolarHBondContact O-N 2.68Å; S263-T266 VanDerWaalsContact O-CB 3.29Å; S263-T266 WeakPolarHBondContact O-CB 3.48Å; S263-T266 PolarHBondContact O-N 2.74Å; S263-T266 VanDerWaalsContact O-N 3.1Å
264E96.8Very high96.8Very high176 Ų17690.2 Ų90.282%0.82247%0.47SS*.Hα-helixtrans-58.4-39.3179.5-62.3175.1-179.700112.2T266 W267 K268E264-T266 PolarHBondContact O-N 3.08Å; E264-T266 VanDerWaalsContact O-N 3.13Å; E264-W267 PolarHBondContact O-N 3.23Å; E264-K268 PolarHBondContact O-N 3.41Å
265D97.1Very high96.5Very high131 Ų13195 Ų9570%0.70149%0.494SS*.Hα-helixtrans-59-25.1177-73.4-47.5000113.6S263 W267S263-D265 VanDerWaalsContact C-N 3.29Å; S263-D265 PolarHBondContact O-N 2.68Å; D265-W267 VanDerWaalsContact C-N 3.31Å
266T97.3Very high96.1Very high42 Ų4296.9 Ų96.926%0.25850%0.497SS..Hα-helixtrans-68.6-30.9177.2-62.50000112.2L240 V260 S263 E264L240-T266 HydrophobicContact CD1-CG2 4.41Å; L240-T266 HydrophobicContact CD2-CG2 4.07Å; V260-T266 HydrophobicContact CG1-CG2 4.34Å; V260-T266 WeakPolarHBondContact O-CB 3.46Å; V260-T266 PolarHBondContact O-OG1 3.08Å; S263-T266 VanDerWaalsContact O-CB 3.29Å; S263-T266 WeakPolarHBondContact O-CB 3.48Å; S263-T266 PolarHBondContact O-N 2.74Å; S263-T266 VanDerWaalsContact O-N 3.1Å; E264-T266 PolarHBondContact O-N 3.08Å; E264-T266 VanDerWaalsContact O-N 3.13Å
267W96.9Very high95.6Very high102 Ų10297.2 Ų97.239%0.38650%0.502SS..Hα-helixtrans-108.5-20.6-173.6-58110.9000113.7V261 E264 D265 A269 L270 D271V261-W267 HydrophobicContact CG1-CZ2 4.22Å; V261-W267 HydrophobicContact CG2-CZ2 4.41Å; V261-W267 PolarHBondContact O-NE1 2.76Å; E264-W267 PolarHBondContact O-N 3.23Å; D265-W267 VanDerWaalsContact C-N 3.31Å; W267-A269 PolarHBondContact O-N 3.14Å; W267-L270 HydrophobicContact CE3-CD2 3.87Å; W267-L270 HydrophobicContact CZ3-CD2 4.2Å; W267-L270 CarbonylContact O-C 3.58Å; W267-L270 VanDerWaalsContact O-CA 3.31Å; W267-L270 WeakPolarHBondContact O-CA 3.48Å; W267-L270 VanDerWaalsContact O-CB 3.25Å; W267-L270 WeakPolarHBondContact O-CB 3.43Å; W267-L270 PolarHBondContact O-N 3.33Å; W267-D271 PolarHBondContact O-N 3.5Å
268K97.1Very high95Very high109 Ų109100.8 Ų100.847%0.47453%0.527SS..Hα-helixtrans-41.6-44.4179.2-179.9173178.2173.90115.4E264 L270 D271 E272E264-K268 PolarHBondContact O-N 3.41Å; K268-L270 VanDerWaalsContact C-N 3.34Å; K268-L270 PolarHBondContact O-N 2.91Å; K268-D271 PolarHBondContact N-OD2 2.9Å; K268-D271 PolarHBondContact O-N 3.27Å; K268-E272 WeakPolarHBondContact CE-OE1 3.33Å; K268-E272 HydrophobicContact CG-CG 4.49Å; K268-E272 WeakPolarHBondContact CG-OE1 3.32Å; K268-E272 WeakPolarHBondContact O-CB 3.4Å; K268-E272 VanDerWaalsContact O-CG 3.28Å; K268-E272 WeakPolarHBondContact O-CG 3.44Å; K268-E272 PolarHBondContact O-N 3.49Å
269A94Very high94.4Very high73 Ų7396.9 Ų96.960%0.60352%0.52SS*.Hα-helixtrans-72.7-23179.100000114.1W267 A273W267-A269 PolarHBondContact O-N 3.14Å; A269-A273 WeakPolarHBondContact O-CB 3.44Å; A269-A273 PolarHBondContact O-N 3.44Å
270L94.7Very high93.6Very high108 Ų10897.1 Ų97.157%0.56552%0.519SS*.Hα-helixtrans-78.4-38.7168.9-177.664.8000110.7W267 K268 A273 H274W267-L270 HydrophobicContact CE3-CD2 3.87Å; W267-L270 HydrophobicContact CZ3-CD2 4.2Å; W267-L270 CarbonylContact O-C 3.58Å; W267-L270 VanDerWaalsContact O-CA 3.31Å; W267-L270 WeakPolarHBondContact O-CA 3.48Å; W267-L270 VanDerWaalsContact O-CB 3.25Å; W267-L270 WeakPolarHBondContact O-CB 3.43Å; W267-L270 PolarHBondContact O-N 3.33Å; K268-L270 VanDerWaalsContact C-N 3.34Å; K268-L270 PolarHBondContact O-N 2.91Å; L270-A273 CarbonylContact O-C 3.53Å; L270-A273 PolarHBondContact O-N 2.93Å; L270-H274 WeakPolarHBondContact O-CB 3.5Å; L270-H274 PolarHBondContact O-N 2.91Å
271D96.1Very high93Very high80 Ų80100.3 Ų100.343%0.42854%0.535SS..Hα-helixtrans-67.8-43177.3-55.3-42.9000111.3W267 K268 A273 H274 N275W267-D271 PolarHBondContact O-N 3.5Å; K268-D271 PolarHBondContact N-OD2 2.9Å; K268-D271 PolarHBondContact O-N 3.27Å; D271-A273 VanDerWaalsContact C-N 3.28Å; D271-A273 PolarHBondContact O-N 3.38Å; D271-H274 PolarHBondContact O-N 3.45Å; D271-N275 WeakPolarHBondContact O-CB 3.3Å; D271-N275 PolarHBondContact O-N 3.01Å; D271-N275 PolarHBondContact O-ND2 3.1Å
272E96.6Very high92.4Very high108 Ų108101 Ų10151%0.50554%0.537SS..Hα-helixtrans-57-39.6169.9-76.3171.8-169.200111.7K268 L276K268-E272 WeakPolarHBondContact CE-OE1 3.33Å; K268-E272 HydrophobicContact CG-CG 4.49Å; K268-E272 WeakPolarHBondContact CG-OE1 3.32Å; K268-E272 WeakPolarHBondContact O-CB 3.4Å; K268-E272 VanDerWaalsContact O-CG 3.28Å; K268-E272 WeakPolarHBondContact O-CG 3.44Å; K268-E272 PolarHBondContact O-N 3.49Å; E272-L276 WeakPolarHBondContact O-CG 3.3Å
273A93.3Very high91.8Very high48 Ų4899.1 Ų99.140%0.39753%0.527SS..Hα-helixtrans-73.5-37175.700000113.1A269 L270 D271 N275 L276 C277A269-A273 WeakPolarHBondContact O-CB 3.44Å; A269-A273 PolarHBondContact O-N 3.44Å; L270-A273 CarbonylContact O-C 3.53Å; L270-A273 PolarHBondContact O-N 2.93Å; D271-A273 VanDerWaalsContact C-N 3.28Å; D271-A273 PolarHBondContact O-N 3.38Å; A273-N275 VanDerWaalsContact C-N 3.34Å; A273-L276 PolarHBondContact O-N 3.15Å; A273-L276 VanDerWaalsContact O-N 3.13Å; A273-C277 PolarHBondContact O-N 3.19Å
274H91.3Very high91.2Very high135 Ų135101 Ų10163%0.62553%0.533SS*.Hα-helixtrans-63.6-41.1176.3-178.2-87.4000111.2L270 D271 L276 C277L270-H274 WeakPolarHBondContact O-CB 3.5Å; L270-H274 PolarHBondContact O-N 2.91Å; D271-H274 PolarHBondContact O-N 3.45Å; H274-L276 PolarHBondContact O-N 3.41Å; H274-L276 VanDerWaalsContact O-N 3.17Å; H274-C277 WeakPolarHBondContact O-CB 3.49Å; H274-C277 PolarHBondContact O-N 2.92Å
275N91.9Very high90.6Very high128 Ų128100 Ų10068%0.68453%0.528SS*.THydrogen-bonded Turntrans-68.3-7.9175-66-31.6000114D271 A273D271-N275 WeakPolarHBondContact O-CB 3.3Å; D271-N275 PolarHBondContact O-N 3.01Å; D271-N275 PolarHBondContact O-ND2 3.1Å; A273-N275 VanDerWaalsContact C-N 3.34Å
276L91.1Very high89.7Confident147 Ų147100.5 Ų100.577%0.7753%0.526SS*.THydrogen-bonded Turntrans-102.4-9.2171.6-66.7171.3000113E272 A273 H274E272-L276 WeakPolarHBondContact O-CG 3.3Å; A273-L276 PolarHBondContact O-N 3.15Å; A273-L276 VanDerWaalsContact O-N 3.13Å; H274-L276 PolarHBondContact O-N 3.41Å; H274-L276 VanDerWaalsContact O-N 3.17Å
277C87.3Confident88.8Confident83 Ų83102.4 Ų102.456%0.56154%0.535SS*.SBendtrans-76138.4168.5-70.90000109.6A273 H274A273-C277 PolarHBondContact O-N 3.19Å; H274-C277 WeakPolarHBondContact O-CB 3.49Å; H274-C277 PolarHBondContact O-N 2.92Å
278P84.9Confident87.8Confident94 Ų94102.9 Ų102.961%0.6155%0.551SS**PPolyproline II helixtrans-54.2142164.1-21.432.7000109.7D282P278-D282 HydrophobicContact CB-CB 3.83Å
279S86.8Confident86.4Confident52 Ų52103.6 Ų103.636%0.36456%0.564SS.*PPolyproline II helixtrans-62.8162.3175.669.20000110.7D281 D282 F283S279-D281 PolarHBondContact O-N 3.49Å; S279-D281 PolarHBondContact OG-N 2.91Å; S279-D282 VanDerWaalsContact CB-OD2 3.29Å; S279-D282 WeakPolarHBondContact CB-OD2 3.42Å; S279-D282 PolarHBondContact N-OD2 2.9Å; S279-D282 WeakPolarHBondContact O-CB 3.2Å; S279-D282 PolarHBondContact O-N 2.87Å; S279-D282 VanDerWaalsContact O-N 3.14Å; S279-D282 PolarHBondContact OG-N 2.94Å; S279-D282 PolarHBondContact OG-OD2 2.56Å; S279-F283 PolarHBondContact O-N 2.73Å
280F80.7Confident84.7Confident145 Ų145105.5 Ų105.564%0.63657%0.572SS**Hα-helixtrans-59.6-31.6173.1-173.1-109000111.4F283 L284F280-F283 WeakPolarHBondContact O-CB 3.42Å; F280-F283 PolarHBondContact O-N 3.17Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CD1-CG 4.21Å; F280-L284 HydrophobicContact CE1-CD1 3.69Å; F280-L284 HydrophobicContact CE1-CD2 4.21Å; F280-L284 HydrophobicContact CE1-CG 3.97Å; F280-L284 HydrophobicContact CZ-CD1 4.47Å; F280-L284 HydrophobicContact CZ-CD2 4.19Å; F280-L284 HydrophobicContact CZ-CG 4.34Å; F280-L284 WeakPolarHBondContact O-CG 3.38Å; F280-L284 PolarHBondContact O-N 2.95Å
281D84.5Confident83.1Confident101 Ų101105.7 Ų105.754%0.5458%0.577SS.*Hα-helixtrans-71.6-35.4175.9-58-48.5000112.6S279 F283 L284 Q285S279-D281 PolarHBondContact O-N 3.49Å; S279-D281 PolarHBondContact OG-N 2.91Å; D281-F283 VanDerWaalsContact C-N 3.3Å; D281-F283 PolarHBondContact O-N 3.18Å; D281-L284 PolarHBondContact O-N 3.25Å; D281-Q285 WeakPolarHBondContact O-CB 3.42Å; D281-Q285 VanDerWaalsContact O-CG 3.31Å; D281-Q285 WeakPolarHBondContact O-CG 3.36Å; D281-Q285 PolarHBondContact O-N 3.36Å; D281-Q285 PolarHBondContact O-NE2 3.28Å
282D86.9Confident81.2Confident65 Ų65110 Ų11035%0.34860%0.595SS.*Hα-helixtrans-63.4-38.3170.4-64.5-59.4000111.2P278 S279 Q286P278-D282 HydrophobicContact CB-CB 3.83Å; S279-D282 VanDerWaalsContact CB-OD2 3.29Å; S279-D282 WeakPolarHBondContact CB-OD2 3.42Å; S279-D282 PolarHBondContact N-OD2 2.9Å; S279-D282 WeakPolarHBondContact O-CB 3.2Å; S279-D282 PolarHBondContact O-N 2.87Å; S279-D282 VanDerWaalsContact O-N 3.14Å; S279-D282 PolarHBondContact OG-N 2.94Å; S279-D282 PolarHBondContact OG-OD2 2.56Å; D282-Q286 WeakPolarHBondContact O-CB 3.22Å; D282-Q286 VanDerWaalsContact O-CG 3.29Å; D282-Q286 WeakPolarHBondContact O-CG 3.38Å; D282-Q286 PolarHBondContact O-N 3.37Å; D282-Q286 VanDerWaalsContact O-N 3.08Å; D282-Q286 PolarHBondContact O-NE2 2.68Å
283F84.6Confident79.3Confident113 Ų113111.9 Ų111.950%0.49660%0.604SS.*Hα-helixtrans-66.2-44.2174.7178.7-95.2000111.5S279 F280 D281 Q285 Q286 L287S279-F283 PolarHBondContact O-N 2.73Å; F280-F283 WeakPolarHBondContact O-CB 3.42Å; F280-F283 PolarHBondContact O-N 3.17Å; D281-F283 VanDerWaalsContact C-N 3.3Å; D281-F283 PolarHBondContact O-N 3.18Å; F283-Q285 PolarHBondContact O-N 3.11Å; F283-Q286 PolarHBondContact O-N 2.71Å; F283-L287 HydrophobicContact CE1-CD1 4.31Å; F283-L287 HydrophobicContact CE1-CD2 4.02Å; F283-L287 HydrophobicContact CE1-CG 4.25Å; F283-L287 HydrophobicContact CZ-CD2 4.03Å; F283-L287 PolarHBondContact O-N 2.85Å; F283-L287 VanDerWaalsContact O-N 3.1Å
284L84.2Confident77.7Confident81 Ų81117.9 Ų117.942%0.42462%0.623SS.*Hα-helixtrans-62.3-39.7175.4-71.3179.7000112.4F280 D281 Q286 L287F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CD1-CG 4.21Å; F280-L284 HydrophobicContact CE1-CD1 3.69Å; F280-L284 HydrophobicContact CE1-CD2 4.21Å; F280-L284 HydrophobicContact CE1-CG 3.97Å; F280-L284 HydrophobicContact CZ-CD1 4.47Å; F280-L284 HydrophobicContact CZ-CD2 4.19Å; F280-L284 HydrophobicContact CZ-CG 4.34Å; F280-L284 WeakPolarHBondContact O-CG 3.38Å; F280-L284 PolarHBondContact O-N 2.95Å; D281-L284 PolarHBondContact O-N 3.25Å; L284-Q286 VanDerWaalsContact C-N 3.29Å; L284-Q286 PolarHBondContact O-N 2.86Å; L284-L287 HydrophobicContact CD2-CD1 3.93Å; L284-L287 WeakPolarHBondContact O-CB 3.35Å; L284-L287 PolarHBondContact O-N 2.87Å
285Q84.2Confident76Confident154 Ų154116.1 Ų116.172%0.7262%0.619SS**Hα-helixtrans-67.7-26.6175.2-74.2174.862.300113.3D281 F283D281-Q285 WeakPolarHBondContact O-CB 3.42Å; D281-Q285 VanDerWaalsContact O-CG 3.31Å; D281-Q285 WeakPolarHBondContact O-CG 3.36Å; D281-Q285 PolarHBondContact O-N 3.36Å; D281-Q285 PolarHBondContact O-NE2 3.28Å; F283-Q285 PolarHBondContact O-N 3.11Å
286Q79.9Confident74.4Confident142 Ų142115 Ų11566%0.66462%0.621SS**Hα-helixtrans-86.9-10.8176.1-74175.352.200113.9D282 F283 L284 P288D282-Q286 WeakPolarHBondContact O-CB 3.22Å; D282-Q286 VanDerWaalsContact O-CG 3.29Å; D282-Q286 WeakPolarHBondContact O-CG 3.38Å; D282-Q286 PolarHBondContact O-N 3.37Å; D282-Q286 VanDerWaalsContact O-N 3.08Å; D282-Q286 PolarHBondContact O-NE2 2.68Å; F283-Q286 PolarHBondContact O-N 2.71Å; L284-Q286 VanDerWaalsContact C-N 3.29Å; L284-Q286 PolarHBondContact O-N 2.86Å; Q286-P288 WeakPolarHBondContact O-CD 3.28Å
287L76.7Confident72.9Confident82 Ų82115.1 Ų115.143%0.42962%0.618SS.*SBendtrans-64.1124.1167.7-68.8177.1000108.2F283 L284 V289F283-L287 HydrophobicContact CE1-CD1 4.31Å; F283-L287 HydrophobicContact CE1-CD2 4.02Å; F283-L287 HydrophobicContact CE1-CG 4.25Å; F283-L287 HydrophobicContact CZ-CD2 4.03Å; F283-L287 PolarHBondContact O-N 2.85Å; F283-L287 VanDerWaalsContact O-N 3.1Å; L284-L287 HydrophobicContact CD2-CD1 3.93Å; L284-L287 WeakPolarHBondContact O-CB 3.35Å; L284-L287 PolarHBondContact O-N 2.87Å; L287-V289 PolarHBondContact O-N 2.9Å
288P75.8Confident71.6Confident112 Ų112120.4 Ų120.473%0.72763%0.634SS**  trans-63.9108.1174.926.4-32.6000107.7Q286 C290Q286-P288 WeakPolarHBondContact O-CD 3.28Å; P288-C290 PolarHBondContact O-N 3.31Å
289V68Low70.7Confident125 Ų125122.7 Ų122.776%0.75865%0.646SS**  trans-54.7109171.2177.90000106.2L287 V291L287-V289 PolarHBondContact O-N 2.9Å; V289-V291 HydrophobicContact CG1-CG2 4.11Å; V289-V291 PolarHBondContact O-N 3.43Å
290C58.5Low69.4Low113 Ų113126.6 Ų126.676%0.76466%0.663SS**  trans-69.879167.2-74.10000106.8P288 Q292P288-C290 PolarHBondContact O-N 3.31Å; C290-Q292 VanDerWaalsContact C-N 3.28Å; C290-Q292 PolarHBondContact O-N 2.88Å
291V61.6Low68.3Low111 Ų111126.3 Ų126.367%0.67367%0.668SS**  trans-51.1105.8155.5-179.90000104V289 Q293V289-V291 HydrophobicContact CG1-CG2 4.11Å; V289-V291 PolarHBondContact O-N 3.43Å; V291-Q293 PolarHBondContact O-N 3.44Å
292Q55.6Low66.9Low171 Ų171127.5 Ų127.580%0.79968%0.684SS**  trans-67.387.8164.7-71.4-172.2-5.800104.4C290 E294C290-Q292 VanDerWaalsContact C-N 3.28Å; C290-Q292 PolarHBondContact O-N 2.88Å; Q292-E294 PolarHBondContact O-N 3.03Å
293Q58.2Low65.1Low148 Ų148128.1 Ų128.169%0.69271%0.706SS**  trans-65.398.8171-174.2178.2-31.400104.7V291 N295V291-Q293 PolarHBondContact O-N 3.44Å; Q293-N295 WeakPolarHBondContact CG-OD1 3.21Å; Q293-N295 PolarHBondContact NE2-OD1 2.93Å; Q293-N295 PolarHBondContact O-N 3.36Å
294E59.3Low63.7Low173 Ų173127.9 Ų127.981%0.80872%0.718SS**  trans-65.478.1172.4-67.5-174134.900107.5Q292 S296Q292-E294 PolarHBondContact O-N 3.03Å; E294-S296 PolarHBondContact O-N 3.15Å
295N56.1Low62.1Low98 Ų98130.9 Ų130.952%0.52473%0.733SS.*  trans-67.476.3162.9-89.620.9000107.1Q293 E297Q293-N295 WeakPolarHBondContact CG-OD1 3.21Å; Q293-N295 PolarHBondContact NE2-OD1 2.93Å; Q293-N295 PolarHBondContact O-N 3.36Å; N295-E297 HydrophobicContact CB-CG 4.35Å; N295-E297 PolarHBondContact O-N 2.98Å
296S56.4Low60.6Low106 Ų106133 Ų13374%0.74174%0.741SS**  trans-66.270.6156.358.90000107.9E294 E298E294-S296 PolarHBondContact O-N 3.15Å; S296-E298 PolarHBondContact O-N 2.74Å
297E61.4Low59.3Low149 Ų149134.8 Ų134.870%0.69675%0.749SS**  trans-61.4117.3168.8-74.8178.5-178.700107.4N295 V299N295-E297 HydrophobicContact CB-CG 4.35Å; N295-E297 PolarHBondContact O-N 2.98Å; E297-V299 PolarHBondContact O-N 3.14Å
298E59Low58.4Low193 Ų193136.5 Ų136.590%0.90275%0.754SS**  trans-65.797.5179.9-66.2178.6114.400108.8S296 D300S296-E298 PolarHBondContact O-N 2.74Å; E298-D300 PolarHBondContact O-N 2.89Å
299V65.4Low57.4Low142 Ų142138.7 Ų138.786%0.86176%0.755SS**  trans-7199.2177.6178.30000108.8E297 N301E297-V299 PolarHBondContact O-N 3.14Å; V299-N301 PolarHBondContact O-N 3.28Å; V299-N301 VanDerWaalsContact O-N 3.15Å
300D61.2Low56.7Low134 Ų134139.9 Ų139.972%0.71775%0.75SS**  trans-69.2109.6-173.2-137.7-21.4000112.2E298E298-D300 PolarHBondContact O-N 2.89Å
301N56.6Low56.9Low139 Ų139140 Ų14074%0.74375%0.753SS**  trans26.4101.3147.5-65.4-74.2000118.9V299V299-N301 PolarHBondContact O-N 3.28Å; V299-N301 VanDerWaalsContact O-N 3.15Å
302S54.8Low56.6Low126 Ų126142.1 Ų142.188%0.88175%0.753SS**  trans-173.3110.3132.233.50000116.6
303G49.9Very low56.5Low78 Ų78140.5 Ų140.580%0.80475%0.745SS**  trans98.3138.6139.800000119.9
304S54.9Low56.4Low108 Ų108140.4 Ų140.476%0.75575%0.749SS**  trans58.690.3168.7-155.60000116.7
305I50.8Low55.5Low144 Ų144141.4 Ų141.474%0.73875%0.747SS**  56.8101.478.3-53.3169.6000113.3
306F51.3Low55.5Low200 Ų200142.8 Ų142.888%0.87776%0.758SS**  -166.6158.2125.4-123.4-85.2000112.6
307E53.7Low55.1Low178 Ų178141.9 Ų141.983%0.83275%0.75SS**  trans-126.8166.6-171.9-56.9169.881.400111.4
308E58.4Low54.6Low118 Ų118143.1 Ų143.155%0.55176%0.758SS**  cis-137.3145.4-5.6-158.9-151.2-172.500105.4K310E308-K310 WeakPolarHBondContact OE1-CD 3.46Å; E308-K310 WeakPolarHBondContact OE1-CE 3.49Å; E308-K310 IonicContact OE1-NZ 3.13Å; E308-K310 PolarHBondContact OE1-NZ 2.96Å; E308-K310 IonicContact OE2-NZ 3.25Å
309Q53.2Low54.1Low159 Ų159137.7 Ų137.774%0.74375%0.746SS**  176.1153.593.6-84.6-160.4-11.500110.7
310K53.3Low53.2Low149 Ų149139.4 Ų139.465%0.64875%0.745SS**  cis109.167.314.3-167.1-150.7-149.7137.70115.2E308E308-K310 WeakPolarHBondContact OE1-CD 3.46Å; E308-K310 WeakPolarHBondContact OE1-CE 3.49Å; E308-K310 IonicContact OE1-NZ 3.13Å; E308-K310 PolarHBondContact OE1-NZ 2.96Å; E308-K310 IonicContact OE2-NZ 3.25Å
311S63.6Low52.5Low117 Ų117141.9 Ų141.982%0.81875%0.752SS**  trans178.6152.9145.853.70000111.8
312K55.3Low51.9Low155 Ų155143.3 Ų143.367%0.67475%0.754SS**  cis179.1135-32.7-145.8173.4169.1-83.60105.5
313E54.2Low51.7Low137 Ų137143.3 Ų143.364%0.6475%0.749SS**  trans64.1152158.2-70.4153164.800117.9
314N54.9Low51.7Low145 Ų145148.5 Ų148.578%0.77575%0.752SS**  cis-148.7158.9-5-122.4-20.6000111.6
315Y40.2Very low51.3Low195 Ų195152.9 Ų152.977%0.76576%0.757SS**  trans-116.8135.5179.9177.1-98.7000110.5P317Y315-P317 HydrophobicContact CD1-CG 4.36Å; Y315-P317 HydrophobicContact CE1-CB 4.4Å; Y315-P317 HydrophobicContact CE1-CG 3.66Å
316V57.2Low51.3Low126 Ų126154 Ų15476%0.76476%0.76SS**  trans-144.6114.9176.8-178.40000110.5
317P47.2Very low51Low88 Ų88150.5 Ų150.557%0.57175%0.75SS**  trans-106.5124.216636.2-27.5000111.3Y315Y315-P317 HydrophobicContact CD1-CG 4.36Å; Y315-P317 HydrophobicContact CE1-CB 4.4Å; Y315-P317 HydrophobicContact CE1-CG 3.66Å
318M52.5Low50.5Low174 Ų174147 Ų14786%0.85775%0.752SS**  trans-155.1150.6168.5-76.7-69.9-72.200106.9
319A48.6Very low50.1Low79 Ų79145.5 Ų145.565%0.65377%0.768SS**  cis-167.8164.8-25.700000105.5
320E45.4Very low49.8Very low178 Ų178142.9 Ų142.983%0.83277%0.767SS**  trans-65148.2-179.6-62.2153.1110.900112.6
321Q46.7Very low49.7Very low186 Ų186144.7 Ų144.787%0.86978%0.778SS**  trans-142.5107153.9-146.7169.922.800110.7
322Q44.1Very low48.8Very low169 Ų169145.5 Ų145.579%0.7978%0.778SS**  trans-84.4138.4167.6-62.4176.4-3.300108.8
323V51.4Low48.8Very low127 Ų127143.5 Ų143.577%0.7778%0.781SS**  trans-135.693.7162.4-176.10000109.2
324E49.3Very low48.5Very low187 Ų187145.4 Ų145.487%0.87479%0.79SS**  trans25.3142.7140.7-58.1-177.6132.400122
325K46.4Very low48.1Very low199 Ų199144.2 Ų144.287%0.86578%0.783SS**  trans-90.7145165.9-64.3171.4174.4175.50110.5
326E50.4Low48.8Very low169 Ų169141 Ų14179%0.7978%0.784SS**  trans-134.9121146.4-76.4-134.590.600107.9
327N45.8Very low48.6Very low126 Ų126140.2 Ų140.267%0.67478%0.781SS**  66.893.891.7-58.7-34.1000111.5
328A43.2Very low48.6Very low105 Ų105144.3 Ų144.387%0.86879%0.793SS**  76.5109.975.600000113.3
329G49.7Very low48.9Very low86 Ų86146.1 Ų146.189%0.88780%0.796SS**  trans-161.9113.4174.600000110
330S46.1Very low48.7Very low104 Ų104149.8 Ų149.873%0.72780%0.804SS**  trans-98.1149.5-178.750.90000111.6
331E52Low49Very low186 Ų186144.8 Ų144.887%0.86980%0.801SS**  -178.1158.3124.9-100161.8-151.200113.1
332T45.3Very low48.9Very low134 Ų134143.5 Ų143.582%0.82280%0.798SS**  trans-158.7177.6-175.7360000107.8
333P54.1Low48.7Very low113 Ų113141.8 Ų141.873%0.73480%0.8SS**  cis-130.9163.6-49.738.2-24.9000112.1
334E47.6Very low48.4Very low177 Ų177141.4 Ų141.483%0.82780%0.797SS**  trans-173.8161.2162.8-89.9-140.1113.600110.1
335N47Very low48.3Very low120 Ų120139.7 Ų139.764%0.64279%0.794SS**  cis-170.8142.2-37.8-122.8-24000109.1
336V55.7Low48.1Very low128 Ų128137 Ų13778%0.77679%0.789SS**  trans63.6144.8143.7166.30000120
337P52.6Low47.8Very low109 Ų109134.7 Ų134.771%0.70879%0.787SS**  cis-141-158-30.142.8-21.6000114.5
338E46.6Very low47.7Very low174 Ų174137.1 Ų137.181%0.81379%0.794SS**  trans-54.6159.2179.8-53.4154.7118.900118.5
339K58.8Low47.8Very low212 Ų212139.1 Ų139.192%0.92279%0.789SS**  trans-161134.6133.8-120.9167.4-1731680114.6
340D45.7Very low48.1Very low156 Ų156140.7 Ų140.783%0.83478%0.784SS**  trans-72.6158174.2-71.5-66.5000114.2
341G50.3Low48Very low74 Ų74143.1 Ų143.176%0.76379%0.788SS**  trans-169.761.9179.100000115.2T343G341-T343 PolarHBondContact O-N 3.43Å
342I45Very low47.9Very low159 Ų159139.5 Ų139.582%0.81578%0.784SS**  trans-77.3113.9175.9-57.5171.4000110.9
343T40.7Very low48.1Very low133 Ų133140.6 Ų140.682%0.81678%0.784SS**  trans-145.5131.4152.2-32.90000112G341G341-T343 PolarHBondContact O-N 3.43Å
344V44.5Very low47.8Very low119 Ų119141.2 Ų141.272%0.72179%0.787SS**  trans-89.9138.3173.61740000109.9
345N46.9Very low47.9Very low151 Ų151140.5 Ų140.581%0.80779%0.788SS**  trans-160.5153.6141.7-109.9-44.2000114.6
346N42.9Very low48.5Very low142 Ų142143.7 Ų143.776%0.75980%0.797SS**  trans-65.4157.3179.9-56.3-83.4000113
347V44.6Very low48.2Very low121 Ų121146.3 Ų146.373%0.73380%0.8SS**  -176.4138115.2141.70000113.5
348Q42.7Very low48.1Very low177 Ų177147.1 Ų147.183%0.82780%0.804SS**  trans56.9127.6159.1-77.4165.3-24.400123
349L45.8Very low48.5Very low146 Ų146144.8 Ų144.876%0.76480%0.801SS**  trans-70.2158.9150-73.471.9000110.4
350P56Low48.9Very low120 Ų120138.9 Ų138.978%0.77979%0.791SS**  trans-121.1136.4130.534.5-29.3000112.6
351N44.1Very low50.2Low154 Ų154140.7 Ų140.782%0.82480%0.795SS**  trans-84.1127.1163.4-81.7-37000109.6
352S50.4Low51.5Low110 Ų110141.6 Ų141.677%0.76978%0.779SS**  trans-154.4135.5154.154.20000111.3
353N47.8Very low53.4Low157 Ų157136.8 Ų136.884%0.8476%0.759SS**  trans-85.8127.5-177.9-59.1-59.1000111
354T48.8Very low55.6Low127 Ų127138.4 Ų138.478%0.77976%0.758SS**  trans-141.686.1154.542.40000110.5K356T354-K356 VanDerWaalsContact C-N 3.32Å; T354-K356 PolarHBondContact O-N 3.03Å
355N49Very low57.5Low162 Ų162139.8 Ų139.887%0.86676%0.756SS**  trans-68.392.2166.2-72.93000109E357N355-E357 PolarHBondContact O-N 3.13Å
356K59.3Low58.9Low187 Ų187136.7 Ų136.781%0.81374%0.74SS**  trans-79.4105.8155.8-86.6-170.5172.3-175.70107.6T354 T358T354-K356 VanDerWaalsContact C-N 3.32Å; T354-K356 PolarHBondContact O-N 3.03Å; K356-T358 VanDerWaalsContact C-N 3.28Å; K356-T358 PolarHBondContact O-N 2.83Å
357E50Low60.8Low183 Ų183132 Ų13286%0.85572%0.72SS**  trans-69.288.5169.8-173165.4-16600108.4N355 V359N355-E357 PolarHBondContact O-N 3.13Å; E357-V359 VanDerWaalsContact C-N 3.34Å; E357-V359 PolarHBondContact O-N 2.82Å
358T49.6Very low62.7Low126 Ų126131.2 Ų131.277%0.77371%0.712SS**  trans-68.196.3169.749.30000107.9K356 A360K356-T358 VanDerWaalsContact C-N 3.28Å; K356-T358 PolarHBondContact O-N 2.83Å; T358-A360 PolarHBondContact O-N 2.84Å
359V56Low64.3Low125 Ų125127.1 Ų127.176%0.75869%0.694SS**  trans-55.5110.3163.4179.40000106.4E357 E361E357-V359 VanDerWaalsContact C-N 3.34Å; E357-V359 PolarHBondContact O-N 2.82Å; V359-E361 PolarHBondContact O-N 3.43Å
360A67.2Low66Low87 Ų87126.4 Ų126.472%0.71968%0.682SS**PPolyproline II helixtrans-68124.3170.700000107.3T358 E362T358-A360 PolarHBondContact O-N 2.84Å; A360-E362 PolarHBondContact O-N 2.86Å
361E73.2Confident67.3Low195 Ų195125.8 Ų125.891%0.91167%0.668SS**PPolyproline II helixtrans-63.1119.2170.7-69.8-179134.800108.1V359V359-E361 PolarHBondContact O-N 3.43Å
362E76.4Confident68.9Low93 Ų93121.3 Ų121.344%0.43564%0.644SS.*PPolyproline II helixtrans-70128.5176.7-176.1166.7132.800108.4A360 D366 R370A360-E362 PolarHBondContact O-N 2.86Å; E362-D366 HydrophobicContact CG-CB 4.01Å; E362-R370 IonicContact OE1-CZ 3.78Å; E362-R370 IonicContact OE1-NE 2.98Å; E362-R370 IonicContact OE1-NH1 3.2Å; E362-R370 PolarHBondContact OE1-NH1 3.42Å; E362-R370 IonicContact OE1-NH2 2.71Å; E362-R370 PolarHBondContact OE1-NH2 2.71Å; E362-R370 VanDerWaalsContact OE1-NH2 3.14Å; E362-R370 IonicContact OE2-CZ 3.75Å; E362-R370 IonicContact OE2-NH1 3.42Å; E362-R370 PolarHBondContact OE2-NH1 3.23Å; E362-R370 IonicContact OE2-NH2 2.97Å; E362-R370 PolarHBondContact OE2-NH2 2.91Å
363S86.2Confident70.4Confident57 Ų57121.4 Ų121.440%0.39964%0.635SS.*PPolyproline II helixtrans-63.4147.7-178.9680000110.4E365 D366 A367S363-E365 PolarHBondContact O-N 3.19Å; S363-E365 VanDerWaalsContact O-N 3.16Å; S363-D366 PolarHBondContact O-N 2.84Å; S363-D366 PolarHBondContact OG-N 2.79Å; S363-D366 VanDerWaalsContact OG-N 3.13Å; S363-A367 PolarHBondContact O-N 2.73Å
364E87.1Confident72.1Confident168 Ų168120.1 Ų120.179%0.78562%0.624SS**Hα-helixtrans-57.9-30.7177-61-169.9141.200111.3L368E364-L368 VanDerWaalsContact O-CB 3.28Å; E364-L368 WeakPolarHBondContact O-CB 3.44Å; E364-L368 WeakPolarHBondContact O-CG 3.08Å; E364-L368 PolarHBondContact O-N 3.18Å
365E82.8Confident73.7Confident147 Ų147119.2 Ų119.269%0.68761%0.607SS**Hα-helixtrans-63.8-49.6171.2-61.2-171.4146.900112.9S363 A367 L368 I369S363-E365 PolarHBondContact O-N 3.19Å; S363-E365 VanDerWaalsContact O-N 3.16Å; E365-A367 VanDerWaalsContact C-N 3.3Å; E365-A367 PolarHBondContact O-N 2.82Å; E365-L368 PolarHBondContact O-N 3.16Å; E365-I369 WeakPolarHBondContact O-CB 3.4Å; E365-I369 WeakPolarHBondContact O-CD1 3.28Å; E365-I369 WeakPolarHBondContact O-CG1 3.47Å; E365-I369 PolarHBondContact O-N 2.98Å
366D77.5Confident74.9Confident87 Ų87113.2 Ų113.247%0.46558%0.577SS.*Hα-helixtrans-63.3-38.9177.7-105.1-12.4000111.1E362 S363 R370E362-D366 HydrophobicContact CG-CB 4.01Å; S363-D366 PolarHBondContact O-N 2.84Å; S363-D366 PolarHBondContact OG-N 2.79Å; S363-D366 VanDerWaalsContact OG-N 3.13Å; D366-R370 WeakPolarHBondContact O-CB 3.4Å; D366-R370 PolarHBondContact O-N 2.94Å
367A82.6Confident75.9Confident42 Ų42108.2 Ų108.235%0.34756%0.562SS.*Hα-helixtrans-64.3-44.3175.400000111.7S363 E365 R370 H371S363-A367 PolarHBondContact O-N 2.73Å; E365-A367 VanDerWaalsContact C-N 3.3Å; E365-A367 PolarHBondContact O-N 2.82Å; A367-R370 PolarHBondContact O-N 3.02Å; A367-H371 WeakPolarHBondContact O-CB 3.33Å; A367-H371 PolarHBondContact O-N 3.32Å
368L83.4Confident77.5Confident106 Ų106102.7 Ų102.756%0.55554%0.54SS*.Hα-helixtrans-62.4-47.7174.4-86.8165000112.2E364 E365 R370 H371 L372E364-L368 VanDerWaalsContact O-CB 3.28Å; E364-L368 WeakPolarHBondContact O-CB 3.44Å; E364-L368 WeakPolarHBondContact O-CG 3.08Å; E364-L368 PolarHBondContact O-N 3.18Å; E365-L368 PolarHBondContact O-N 3.16Å; L368-R370 VanDerWaalsContact C-N 3.31Å; L368-R370 PolarHBondContact O-N 3.37Å; L368-H371 PolarHBondContact O-N 2.94Å; L368-L372 WeakPolarHBondContact O-CB 3.42Å; L368-L372 PolarHBondContact O-N 2.97Å
369I78.2Confident78.8Confident90 Ų9097.9 Ų97.946%0.46251%0.51SS..Hα-helixtrans-60.2-43.4177.2-70.9164.2000110.2E365 L372 L373E365-I369 WeakPolarHBondContact O-CB 3.4Å; E365-I369 WeakPolarHBondContact O-CD1 3.28Å; E365-I369 WeakPolarHBondContact O-CG1 3.47Å; E365-I369 PolarHBondContact O-N 2.98Å; I369-L372 PolarHBondContact O-N 3.07Å; I369-L373 HydrophobicContact CG2-CD1 4.01Å; I369-L373 WeakPolarHBondContact O-CB 3.46Å; I369-L373 VanDerWaalsContact O-CG 3.32Å; I369-L373 WeakPolarHBondContact O-CG 2.78Å; I369-L373 PolarHBondContact O-N 3.42Å
370R79.7Confident79.7Confident131 Ų13194.8 Ų94.849%0.49449%0.493SS..Hα-helixtrans-67.9-40.3179.1-160.6-176.4-60165.62.3112E362 D366 A367 L368 L373 Q374E362-R370 IonicContact OE1-CZ 3.78Å; E362-R370 IonicContact OE1-NE 2.98Å; E362-R370 IonicContact OE1-NH1 3.2Å; E362-R370 PolarHBondContact OE1-NH1 3.42Å; E362-R370 IonicContact OE1-NH2 2.71Å; E362-R370 PolarHBondContact OE1-NH2 2.71Å; E362-R370 VanDerWaalsContact OE1-NH2 3.14Å; E362-R370 IonicContact OE2-CZ 3.75Å; E362-R370 IonicContact OE2-NH1 3.42Å; E362-R370 PolarHBondContact OE2-NH1 3.23Å; E362-R370 IonicContact OE2-NH2 2.97Å; E362-R370 PolarHBondContact OE2-NH2 2.91Å; D366-R370 WeakPolarHBondContact O-CB 3.4Å; D366-R370 PolarHBondContact O-N 2.94Å; A367-R370 PolarHBondContact O-N 3.02Å; L368-R370 VanDerWaalsContact C-N 3.31Å; L368-R370 PolarHBondContact O-N 3.37Å; R370-L373 PolarHBondContact O-N 3.22Å; R370-Q374 VanDerWaalsContact O-CB 3.3Å; R370-Q374 WeakPolarHBondContact O-CB 3.43Å; R370-Q374 PolarHBondContact O-N 2.87Å
371H84Confident80.4Confident108 Ų10895.2 Ų95.250%0.548%0.483SS..Hα-helixtrans-63.3-42.1172.8175.5-110000112.1A367 L368 Q374 R375A367-H371 WeakPolarHBondContact O-CB 3.33Å; A367-H371 PolarHBondContact O-N 3.32Å; L368-H371 PolarHBondContact O-N 2.94Å; H371-Q374 WeakPolarHBondContact O-CB 3.28Å; H371-Q374 PolarHBondContact O-N 3.21Å; H371-R375 WeakPolarHBondContact O-CB 3.31Å; H371-R375 PolarHBondContact O-N 2.79Å
372L77.7Confident80.8Confident59 Ų5990.2 Ų90.231%0.30946%0.46SS..Hα-helixtrans-61.4-47.1174.1-90.7165.9000112.3L368 I369 Q374 R375 C376 F410L368-L372 WeakPolarHBondContact O-CB 3.42Å; L368-L372 PolarHBondContact O-N 2.97Å; I369-L372 PolarHBondContact O-N 3.07Å; L372-Q374 PolarHBondContact O-N 3.38Å; L372-R375 PolarHBondContact O-N 2.76Å; L372-C376 WeakPolarHBondContact O-CB 3.19Å; L372-C376 PolarHBondContact O-N 3.1Å; L372-C376 PolarHBondContact O-SG 3.19Å; L372-C376 VanDerWaalsContact O-SG 3.41Å; L372-F410 HydrophobicContact CD1-CE1 3.81Å; L372-F410 HydrophobicContact CD1-CZ 4.36Å; L372-F410 HydrophobicContact CD2-CD1 4.34Å; L372-F410 HydrophobicContact CD2-CE1 3.63Å; L372-F410 HydrophobicContact CD2-CZ 3.76Å; L372-F410 HydrophobicContact CG-CE1 4.36Å
373L80.9Confident80.8Confident112 Ų11287.9 Ų87.959%0.58645%0.448SS*.Hα-helixtrans-62.7-41.5176.4-72171.7000111.7I369 R370 R375 C376 V377I369-L373 HydrophobicContact CG2-CD1 4.01Å; I369-L373 WeakPolarHBondContact O-CB 3.46Å; I369-L373 VanDerWaalsContact O-CG 3.32Å; I369-L373 WeakPolarHBondContact O-CG 2.78Å; I369-L373 PolarHBondContact O-N 3.42Å; R370-L373 PolarHBondContact O-N 3.22Å; L373-R375 PolarHBondContact O-N 2.88Å; L373-C376 PolarHBondContact O-N 3.18Å; L373-V377 WeakPolarHBondContact O-CG2 3.45Å; L373-V377 PolarHBondContact O-N 3.32Å
374Q84.6Confident80.2Confident130 Ų13090.5 Ų90.561%0.60746%0.458SS*.Hα-helixtrans-58-47.7174.1-169.881.222.100111R370 H371 L372 V377 T378R370-Q374 VanDerWaalsContact O-CB 3.3Å; R370-Q374 WeakPolarHBondContact O-CB 3.43Å; R370-Q374 PolarHBondContact O-N 2.87Å; H371-Q374 WeakPolarHBondContact O-CB 3.28Å; H371-Q374 PolarHBondContact O-N 3.21Å; L372-Q374 PolarHBondContact O-N 3.38Å; Q374-V377 PolarHBondContact O-N 2.88Å; Q374-T378 PolarHBondContact O-N 2.89Å; Q374-T378 PolarHBondContact O-OG1 3.08Å; Q374-T378 VanDerWaalsContact O-OG1 3.13Å
375R83Confident79.9Confident109 Ų10986.7 Ų86.741%0.41145%0.446SS..Hα-helixtrans-65.6-40.5-179.5-163.4173.8-175.3100.9-8.5112.2H371 L372 L373 V377 T378 I379 E409H371-R375 WeakPolarHBondContact O-CB 3.31Å; H371-R375 PolarHBondContact O-N 2.79Å; L372-R375 PolarHBondContact O-N 2.76Å; L373-R375 PolarHBondContact O-N 2.88Å; R375-V377 VanDerWaalsContact C-N 3.35Å; R375-V377 PolarHBondContact O-N 2.89Å; R375-T378 PolarHBondContact O-N 3.44Å; R375-I379 WeakPolarHBondContact O-CG1 3.17Å; R375-I379 PolarHBondContact O-N 3.41Å; R375-E409 IonicContact CZ-OE2 2.68Å; R375-E409 IonicContact NE-OE2 3.9Å; R375-E409 PolarHBondContact NE-OE2 2.91Å; R375-E409 IonicContact NH2-OE2 3.39Å; R375-E409 PolarHBondContact NH2-OE2 3.48Å
376C73Confident79.6Confident35 Ų3584.9 Ų84.924%0.23644%0.436CS..Hα-helixtrans-62.6-37.5171.9-74.90000112.8L372 L373 C380L372-C376 WeakPolarHBondContact O-CB 3.19Å; L372-C376 PolarHBondContact O-N 3.1Å; L372-C376 PolarHBondContact O-SG 3.19Å; L372-C376 VanDerWaalsContact O-SG 3.41Å; L373-C376 PolarHBondContact O-N 3.18Å; C376-C380 PolarHBondContact O-N 3.07Å; C376-C380 VanDerWaalsContact O-N 3.15Å; C376-C380 PolarHBondContact O-SG 2.67Å; C376-C380 VanDerWaalsContact O-SG 3.36Å
377V80.7Confident79.3Confident82 Ų8283 Ų8350%0.49743%0.43SS..Hα-helixtrans-66.1-43.7172.9170.80000111L373 Q374 R375 I379 C380 D381L373-V377 WeakPolarHBondContact O-CG2 3.45Å; L373-V377 PolarHBondContact O-N 3.32Å; Q374-V377 PolarHBondContact O-N 2.88Å; R375-V377 VanDerWaalsContact C-N 3.35Å; R375-V377 PolarHBondContact O-N 2.89Å; V377-I379 VanDerWaalsContact C-N 3.34Å; V377-I379 PolarHBondContact O-N 3.14Å; V377-C380 WeakPolarHBondContact O-CB 3.5Å; V377-C380 PolarHBondContact O-N 3.15Å; V377-C380 VanDerWaalsContact O-N 3.16Å; V377-D381 PolarHBondContact O-N 3.32Å
378T83.2Confident78.7Confident67 Ų6789.5 Ų89.541%0.41145%0.453SS..Hα-helixtrans-59.8-42175.9-53.20000112.3Q374 R375 C380 D381 E382Q374-T378 PolarHBondContact O-N 2.89Å; Q374-T378 PolarHBondContact O-OG1 3.08Å; Q374-T378 VanDerWaalsContact O-OG1 3.13Å; R375-T378 PolarHBondContact O-N 3.44Å; T378-C380 VanDerWaalsContact C-N 3.34Å; T378-C380 PolarHBondContact O-N 3.37Å; T378-D381 PolarHBondContact O-N 3.33Å; T378-E382 WeakPolarHBondContact O-CB 3.44Å; T378-E382 PolarHBondContact O-N 3.12Å
379I77.6Confident78Confident26 Ų2690 Ų9013%0.13346%0.461CS..Hα-helixtrans-61.1-42.5175.4-68.9165.7000110.8R375 V377 E382 F383R375-I379 WeakPolarHBondContact O-CG1 3.17Å; R375-I379 PolarHBondContact O-N 3.41Å; V377-I379 VanDerWaalsContact C-N 3.34Å; V377-I379 PolarHBondContact O-N 3.14Å; I379-E382 PolarHBondContact O-N 3.38Å; I379-F383 HydrophobicContact CG2-CD2 4.16Å; I379-F383 HydrophobicContact CG2-CE2 4.38Å; I379-F383 WeakPolarHBondContact O-CD2 3.29Å; I379-F383 PolarHBondContact O-N 2.92Å
380C75.8Confident77Confident60 Ų6092.2 Ų92.241%0.40547%0.469SS..Hα-helixtrans-64.3-46.4175.7-70.10000112.5C376 V377 T378 E382 F383 D384C376-C380 PolarHBondContact O-N 3.07Å; C376-C380 VanDerWaalsContact O-N 3.15Å; C376-C380 PolarHBondContact O-SG 2.67Å; C376-C380 VanDerWaalsContact O-SG 3.36Å; V377-C380 WeakPolarHBondContact O-CB 3.5Å; V377-C380 PolarHBondContact O-N 3.15Å; V377-C380 VanDerWaalsContact O-N 3.16Å; T378-C380 VanDerWaalsContact C-N 3.34Å; T378-C380 PolarHBondContact O-N 3.37Å; C380-E382 VanDerWaalsContact C-N 3.29Å; C380-E382 PolarHBondContact O-N 3.35Å; C380-F383 PolarHBondContact O-N 3.5Å; C380-F383 VanDerWaalsContact O-N 3.11Å; C380-D384 PolarHBondContact O-N 3.44Å
381D80.3Confident75.8Confident96 Ų9693.4 Ų93.451%0.51349%0.485SS..Hα-helixtrans-64.1-33.9177.8-74.3-19.6000111.6V377 T378 T385V377-D381 PolarHBondContact O-N 3.32Å; T378-D381 PolarHBondContact O-N 3.33Å; D381-T385 WeakPolarHBondContact O-CB 3.25Å; D381-T385 WeakPolarHBondContact O-CG2 3.43Å; D381-T385 PolarHBondContact O-N 2.91Å; D381-T385 PolarHBondContact O-OG1 3.25Å
382E83Confident74.4Confident89 Ų8994.2 Ų94.242%0.41650%0.503SS..Hα-helixtrans-66.2-35.2171.1-87.7-164.9-128.800113.3T378 I379 C380 T385 K386T378-E382 WeakPolarHBondContact O-CB 3.44Å; T378-E382 PolarHBondContact O-N 3.12Å; I379-E382 PolarHBondContact O-N 3.38Å; C380-E382 VanDerWaalsContact C-N 3.29Å; C380-E382 PolarHBondContact O-N 3.35Å; E382-T385 WeakPolarHBondContact CA-OG1 3.38Å; E382-T385 PolarHBondContact O-OG1 3.31Å; E382-K386 WeakPolarHBondContact O-CB 3.25Å; E382-K386 WeakPolarHBondContact O-CD 3.44Å; E382-K386 WeakPolarHBondContact O-CE 3.43Å; E382-K386 WeakPolarHBondContact O-CG 3.46Å; E382-K386 PolarHBondContact O-N 3.05Å; E382-K386 VanDerWaalsContact O-N 3.17Å; E382-K386 IonicContact OE2-NZ 2.69Å; E382-K386 PolarHBondContact OE2-NZ 3.14Å
383F75.3Confident73.2Confident45 Ų4594 Ų9420%0.19750%0.504CS..Hα-helixtrans-76.6-41.1176.2-95.3-89.3000112.1I379 C380 T385 K386 S387 E401 V402I379-F383 HydrophobicContact CG2-CD2 4.16Å; I379-F383 HydrophobicContact CG2-CE2 4.38Å; I379-F383 WeakPolarHBondContact O-CD2 3.29Å; I379-F383 PolarHBondContact O-N 2.92Å; C380-F383 PolarHBondContact O-N 3.5Å; C380-F383 VanDerWaalsContact O-N 3.11Å; F383-T385 PolarHBondContact O-N 3.47Å; F383-K386 PolarHBondContact O-N 2.6Å; F383-S387 WeakPolarHBondContact O-CB 3.38Å; F383-S387 PolarHBondContact O-N 3.41Å; F383-E401 HydrophobicContact CE1-CB 4.01Å; F383-E401 HydrophobicContact CZ-CB 3.79Å; F383-V402 HydrophobicContact CB-CG2 4.1Å; F383-V402 HydrophobicContact CD1-CG2 3.81Å; F383-V402 HydrophobicContact CD2-CG2 3.47Å; F383-V402 VanDerWaalsContact CD2-CG2 3.47Å; F383-V402 HydrophobicContact CE1-CG2 4.06Å; F383-V402 HydrophobicContact CE2-CG2 3.74Å; F383-V402 HydrophobicContact CG-CG2 3.5Å; F383-V402 HydrophobicContact CZ-CG2 4.03Å
384D74.7Confident72.4Confident111 Ų11192 Ų9259%0.59450%0.499SS*.Hα-helixtrans-57.8-48.5173.3-89.75.9000110.1C380 K386 S387 E388C380-D384 PolarHBondContact O-N 3.44Å; D384-K386 PolarHBondContact O-N 2.83Å; D384-S387 WeakPolarHBondContact O-CB 3.16Å; D384-S387 PolarHBondContact O-N 3.05Å; D384-S387 VanDerWaalsContact O-N 3.14Å; D384-S387 PolarHBondContact O-OG 3.17Å; D384-E388 PolarHBondContact O-N 2.82Å
385T79.6Confident71.7Confident89 Ų8990.6 Ų90.655%0.54650%0.502SS..Hα-helixtrans-68.2-30.1-18048.60000114.4D381 E382 F383D381-T385 WeakPolarHBondContact O-CB 3.25Å; D381-T385 WeakPolarHBondContact O-CG2 3.43Å; D381-T385 PolarHBondContact O-N 2.91Å; D381-T385 PolarHBondContact O-OG1 3.25Å; E382-T385 WeakPolarHBondContact CA-OG1 3.38Å; E382-T385 PolarHBondContact O-OG1 3.31Å; F383-T385 PolarHBondContact O-N 3.47Å
386K77.1Confident71.3Confident108 Ų10889.2 Ų89.247%0.4751%0.51SS..Hα-helixtrans-73.9-32.8170.5-70.3163.4-160.4163.40111.9E382 F383 D384 E388 V389E382-K386 WeakPolarHBondContact O-CB 3.25Å; E382-K386 WeakPolarHBondContact O-CD 3.44Å; E382-K386 WeakPolarHBondContact O-CE 3.43Å; E382-K386 WeakPolarHBondContact O-CG 3.46Å; E382-K386 PolarHBondContact O-N 3.05Å; E382-K386 VanDerWaalsContact O-N 3.17Å; E382-K386 IonicContact OE2-NZ 2.69Å; E382-K386 PolarHBondContact OE2-NZ 3.14Å; F383-K386 PolarHBondContact O-N 2.6Å; D384-K386 PolarHBondContact O-N 2.83Å; K386-E388 VanDerWaalsContact C-N 3.28Å; K386-E388 PolarHBondContact O-N 3.02Å; K386-V389 PolarHBondContact O-N 3.22Å; K386-V389 VanDerWaalsContact O-N 3.13Å
387S71.8Confident71.4Confident48 Ų4889.9 Ų89.934%0.33652%0.515SS..Hα-helixtrans-66.4-24.8-178.380.20000114.2F383 D384 V389F383-S387 WeakPolarHBondContact O-CB 3.38Å; F383-S387 PolarHBondContact O-N 3.41Å; D384-S387 WeakPolarHBondContact O-CB 3.16Å; D384-S387 PolarHBondContact O-N 3.05Å; D384-S387 VanDerWaalsContact O-N 3.14Å; D384-S387 PolarHBondContact O-OG 3.17Å; S387-V389 PolarHBondContact O-N 2.79Å
388E68.8Low71.2Confident178 Ų17888 Ų8883%0.83250%0.501SS*.THydrogen-bonded Turntrans-72.8-11.9175-64.8-164.6149.200113.5D384 K386D384-E388 PolarHBondContact O-N 2.82Å; K386-E388 VanDerWaalsContact C-N 3.28Å; K386-E388 PolarHBondContact O-N 3.02Å
389V69.9Low70.7Confident118 Ų11891.5 Ų91.572%0.71551%0.51SS*.THydrogen-bonded Turntrans-100.3-31.3-174.8-174.40000113K386 S387K386-V389 PolarHBondContact O-N 3.22Å; K386-V389 VanDerWaalsContact O-N 3.13Å; S387-V389 PolarHBondContact O-N 2.79Å
390E57.4Low70.9Confident135 Ų13595.3 Ų95.363%0.63153%0.528SS*.SBendtrans-109.7116.5-171.1-65.7-164.9159.600113.9S392 V393E390-S392 PolarHBondContact O-N 3.06Å; E390-V393 HydrophobicContact CB-CG2 4.26Å
391N53.5Low71.2Confident156 Ų15697.5 Ų97.583%0.83453%0.532SS*.THydrogen-bonded Turntrans-62.5128.1179.8-77.9-64000112.6V393N391-V393 PolarHBondContact O-N 3.38Å
392S53.5Low70.9Confident125 Ų12594 Ų9487%0.87451%0.514SS*.THydrogen-bonded Turntrans63.425.516162.70000117.9E390E390-S392 PolarHBondContact O-N 3.06Å
393V54.3Low70.8Confident56 Ų5692.6 Ų92.634%0.33951%0.511SS..  trans-65137162.9-174.50000109.7E390 N391 S397 Q398E390-V393 HydrophobicContact CB-CG2 4.26Å; N391-V393 PolarHBondContact O-N 3.38Å; V393-S397 WeakPolarHBondContact CG1-OG 3.31Å; V393-Q398 HydrophobicContact CG1-CG 3.85Å
394S64.1Low71.3Confident68 Ų6896.2 Ų96.248%0.47653%0.527SS..  trans-69.1131.8177.31760000111.2S396 S397 Q398S394-S396 PolarHBondContact O-N 2.94Å; S394-S396 PolarHBondContact OG-N 3.27Å; S394-S397 PolarHBondContact O-N 3.29Å; S394-S397 PolarHBondContact O-OG 2.96Å; S394-Q398 PolarHBondContact O-N 3.24Å
395C68.3Low71.5Confident101 Ų10192.5 Ų92.568%0.68251%0.512SS*.Hα-helixtrans-57.4-20.9172.5-58.50000112.8F399C395-F399 VanDerWaalsContact O-CB 3.25Å; C395-F399 WeakPolarHBondContact O-CB 3.45Å; C395-F399 PolarHBondContact O-N 3.46Å
396S74.5Confident71.1Confident81 Ų8190.3 Ų90.357%0.56650%0.496SS*.Hα-helixtrans-73.9-31.4174.2-1670000113.5S394 E400S394-S396 PolarHBondContact O-N 2.94Å; S394-S396 PolarHBondContact OG-N 3.27Å; S396-E400 PolarHBondContact O-N 3.13Å
397S76.6Confident71.4Confident49 Ų4988.8 Ų88.834%0.34350%0.496SS..Hα-helixtrans-80-42.117648.70000110.9V393 S394 F399 E400 E401V393-S397 WeakPolarHBondContact CG1-OG 3.31Å; S394-S397 PolarHBondContact O-N 3.29Å; S394-S397 PolarHBondContact O-OG 2.96Å; S397-F399 VanDerWaalsContact C-N 3.31Å; S397-F399 PolarHBondContact O-N 2.94Å; S397-E400 PolarHBondContact O-N 3.26Å; S397-E400 VanDerWaalsContact O-N 3.15Å; S397-E401 WeakPolarHBondContact O-CG 3.47Å; S397-E401 PolarHBondContact O-N 3.04Å
398Q75.3Confident72Confident43 Ų4393.3 Ų93.320%0.20151%0.509CS..Hα-helixtrans-56.2-44.3171.1-73.5168.9-23.600111.7V393 S394 E401 V402V393-Q398 HydrophobicContact CG1-CG 3.85Å; S394-Q398 PolarHBondContact O-N 3.24Å; Q398-E401 PolarHBondContact O-N 3.32Å; Q398-V402 WeakPolarHBondContact O-CG2 3.48Å; Q398-V402 PolarHBondContact O-N 2.87Å
399F74.2Confident72.4Confident139 Ų13987.5 Ų87.561%0.6148%0.482SS*.Hα-helixtrans-64.9-39.6175.9-176.8-99000112.9C395 S397 E401 V403C395-F399 VanDerWaalsContact O-CB 3.25Å; C395-F399 WeakPolarHBondContact O-CB 3.45Å; C395-F399 PolarHBondContact O-N 3.46Å; S397-F399 VanDerWaalsContact C-N 3.31Å; S397-F399 PolarHBondContact O-N 2.94Å; F399-E401 VanDerWaalsContact C-N 3.33Å; F399-E401 PolarHBondContact O-N 3.17Å; F399-V403 HydrophobicContact CD1-CG2 4.18Å; F399-V403 HydrophobicContact CE1-CG2 3.72Å; F399-V403 HydrophobicContact CE2-CG2 4.15Å; F399-V403 HydrophobicContact CZ-CG2 3.7Å; F399-V403 WeakPolarHBondContact O-CB 3.45Å; F399-V403 VanDerWaalsContact O-CG2 3.31Å; F399-V403 WeakPolarHBondContact O-CG2 3.29Å; F399-V403 PolarHBondContact O-N 3.5Å
400E80.5Confident72.7Confident107 Ų10788 Ų8850%0.548%0.475SS..Hα-helixtrans-63.7-36.6173-91.1-157.7-167.600112.8S396 S397 K404S396-E400 PolarHBondContact O-N 3.13Å; S397-E400 PolarHBondContact O-N 3.26Å; S397-E400 VanDerWaalsContact O-N 3.15Å; E400-K404 WeakPolarHBondContact O-CB 3.46Å; E400-K404 WeakPolarHBondContact O-CD 3.37Å; E400-K404 WeakPolarHBondContact O-CG 3.41Å; E400-K404 PolarHBondContact O-N 2.92Å; E400-K404 WeakPolarHBondContact OE2-CE 3.34Å; E400-K404 IonicContact OE2-NZ 3.98Å; E400-K404 PolarHBondContact OE2-NZ 2.68Å
401E82.6Confident73.9Confident105 Ų10586.6 Ų86.649%0.49148%0.476SS..Hα-helixtrans-71-41.6176.9-71.8-178.316900112.4F383 S397 Q398 F399 V403 K404 A405F383-E401 HydrophobicContact CE1-CB 4.01Å; F383-E401 HydrophobicContact CZ-CB 3.79Å; S397-E401 WeakPolarHBondContact O-CG 3.47Å; S397-E401 PolarHBondContact O-N 3.04Å; Q398-E401 PolarHBondContact O-N 3.32Å; F399-E401 VanDerWaalsContact C-N 3.33Å; F399-E401 PolarHBondContact O-N 3.17Å; E401-V403 VanDerWaalsContact C-N 3.34Å; E401-V403 PolarHBondContact O-N 3.43Å; E401-K404 PolarHBondContact O-N 3.31Å; E401-A405 WeakPolarHBondContact O-CB 3.33Å; E401-A405 PolarHBondContact O-N 3.45Å
402V75Confident74.9Confident22 Ų2288.6 Ų88.613%0.13348%0.477CS..Hα-helixtrans-57.7-46.9170.8169.40000110.6F383 Q398 A405 I406F383-V402 HydrophobicContact CB-CG2 4.1Å; F383-V402 HydrophobicContact CD1-CG2 3.81Å; F383-V402 HydrophobicContact CD2-CG2 3.47Å; F383-V402 VanDerWaalsContact CD2-CG2 3.47Å; F383-V402 HydrophobicContact CE1-CG2 4.06Å; F383-V402 HydrophobicContact CE2-CG2 3.74Å; F383-V402 HydrophobicContact CG-CG2 3.5Å; F383-V402 HydrophobicContact CZ-CG2 4.03Å; Q398-V402 WeakPolarHBondContact O-CG2 3.48Å; Q398-V402 PolarHBondContact O-N 2.87Å; V402-A405 PolarHBondContact O-N 3.19Å; V402-I406 HydrophobicContact CG1-CD1 3.7Å; V402-I406 HydrophobicContact CG1-CG1 4.48Å; V402-I406 WeakPolarHBondContact O-CB 3.33Å; V402-I406 VanDerWaalsContact O-CG1 3.26Å; V402-I406 WeakPolarHBondContact O-CG1 3.29Å; V402-I406 PolarHBondContact O-N 3.1Å
403V79.5Confident76Confident61 Ų6186.8 Ų86.837%0.3746%0.457SS..Hα-helixtrans-65.6-40.2177.5171.40000111.8F399 E401 I406 V407F399-V403 HydrophobicContact CD1-CG2 4.18Å; F399-V403 HydrophobicContact CE1-CG2 3.72Å; F399-V403 HydrophobicContact CE2-CG2 4.15Å; F399-V403 HydrophobicContact CZ-CG2 3.7Å; F399-V403 WeakPolarHBondContact O-CB 3.45Å; F399-V403 VanDerWaalsContact O-CG2 3.31Å; F399-V403 WeakPolarHBondContact O-CG2 3.29Å; F399-V403 PolarHBondContact O-N 3.5Å; E401-V403 VanDerWaalsContact C-N 3.34Å; E401-V403 PolarHBondContact O-N 3.43Å; V403-I406 PolarHBondContact O-N 3.13Å; V403-V407 HydrophobicContact CG1-CG2 4.34Å; V403-V407 WeakPolarHBondContact O-CB 3.43Å; V403-V407 VanDerWaalsContact O-CG2 3.28Å; V403-V407 WeakPolarHBondContact O-CG2 3.37Å; V403-V407 PolarHBondContact O-N 3.24Å
404K85.2Confident77.1Confident120 Ų12088.4 Ų88.452%0.52246%0.464SS..Hα-helixtrans-64.3-39.6174.7-74.4161.4-166.5162.40111.9E400 E401 K408E400-K404 WeakPolarHBondContact O-CB 3.46Å; E400-K404 WeakPolarHBondContact O-CD 3.37Å; E400-K404 WeakPolarHBondContact O-CG 3.41Å; E400-K404 PolarHBondContact O-N 2.92Å; E400-K404 WeakPolarHBondContact OE2-CE 3.34Å; E400-K404 IonicContact OE2-NZ 3.98Å; E400-K404 PolarHBondContact OE2-NZ 2.68Å; E401-K404 PolarHBondContact O-N 3.31Å; K404-K408 WeakPolarHBondContact O-CB 3.31Å; K404-K408 PolarHBondContact O-N 3.32Å
405A79.8Confident77.8Confident33 Ų3389.5 Ų89.527%0.27346%0.463SS..Hα-helixtrans-65.6-47176.400000111.4E401 V402 K408 E409E401-A405 WeakPolarHBondContact O-CB 3.33Å; E401-A405 PolarHBondContact O-N 3.45Å; V402-A405 PolarHBondContact O-N 3.19Å; A405-K408 PolarHBondContact O-N 2.74Å; A405-E409 WeakPolarHBondContact O-CG 3.28Å; A405-E409 PolarHBondContact O-N 3.05Å; A405-E409 VanDerWaalsContact O-N 3.08Å
406I72Confident78.4Confident43 Ų4388.8 Ų88.822%0.22145%0.45CS..Hα-helixtrans-60.1-50176-70.4168.5000110.6V402 V403 K408 E409 F410V402-I406 HydrophobicContact CG1-CD1 3.7Å; V402-I406 HydrophobicContact CG1-CG1 4.48Å; V402-I406 WeakPolarHBondContact O-CB 3.33Å; V402-I406 VanDerWaalsContact O-CG1 3.26Å; V402-I406 WeakPolarHBondContact O-CG1 3.29Å; V402-I406 PolarHBondContact O-N 3.1Å; V403-I406 PolarHBondContact O-N 3.13Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 2.99Å; I406-E409 PolarHBondContact O-N 2.84Å; I406-E409 VanDerWaalsContact O-N 3.14Å; I406-F410 HydrophobicContact CG2-CD2 3.72Å; I406-F410 HydrophobicContact CG2-CE2 3.67Å; I406-F410 VanDerWaalsContact O-CD2 3.3Å; I406-F410 WeakPolarHBondContact O-CD2 3.36Å; I406-F410 PolarHBondContact O-N 3.37Å; I406-F410 VanDerWaalsContact O-N 3.1Å
407V81.8Confident78.7Confident77 Ų7789.3 Ų89.347%0.46744%0.443SS..Hα-helixtrans-60.7-42.9177.7170.90000111.2V403 E409 F410 T411V403-V407 HydrophobicContact CG1-CG2 4.34Å; V403-V407 WeakPolarHBondContact O-CB 3.43Å; V403-V407 VanDerWaalsContact O-CG2 3.28Å; V403-V407 WeakPolarHBondContact O-CG2 3.37Å; V403-V407 PolarHBondContact O-N 3.24Å; V407-E409 PolarHBondContact O-N 3.48Å; V407-F410 CarbonylContact O-C 3.52Å; V407-F410 PolarHBondContact O-N 2.99Å; V407-T411 HydrophobicContact CG1-CG2 4.06Å; V407-T411 WeakPolarHBondContact O-CG2 3.24Å; V407-T411 PolarHBondContact O-N 3.41Å; V407-T411 PolarHBondContact O-OG1 3.41Å
408K84.7Confident78.8Confident142 Ų14292 Ų9262%0.61745%0.449SS*.Hα-helixtrans-65.8-19178.2-174.8174.3179.9-178.90113.9K404 A405 I406 K412K404-K408 WeakPolarHBondContact O-CB 3.31Å; K404-K408 PolarHBondContact O-N 3.32Å; A405-K408 PolarHBondContact O-N 2.74Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 2.99Å; K408-K412 WeakPolarHBondContact O-CE 3.03Å; K408-K412 WeakPolarHBondContact O-CG 3.46Å
409E77.6Confident79Confident57 Ų5795.5 Ų95.527%0.26647%0.467SS..Hα-helixtrans-88.6-23.4170.9-71.6-71.2114.100112.8R375 A405 I406 V407 K412R375-E409 IonicContact CZ-OE2 2.68Å; R375-E409 IonicContact NE-OE2 3.9Å; R375-E409 PolarHBondContact NE-OE2 2.91Å; R375-E409 IonicContact NH2-OE2 3.39Å; R375-E409 PolarHBondContact NH2-OE2 3.48Å; A405-E409 WeakPolarHBondContact O-CG 3.28Å; A405-E409 PolarHBondContact O-N 3.05Å; A405-E409 VanDerWaalsContact O-N 3.08Å; I406-E409 PolarHBondContact O-N 2.84Å; I406-E409 VanDerWaalsContact O-N 3.14Å; V407-E409 PolarHBondContact O-N 3.48Å; E409-K412 IonicContact OE1-NZ 3.42Å; E409-K412 PolarHBondContact OE1-NZ 3.41Å
410F76.3Confident79.4Confident127 Ų12792.2 Ų92.256%0.55746%0.456SS*.Hα-helixtrans-87.7-12.1172.7-80.3-67.2000114.3L372 I406 V407L372-F410 HydrophobicContact CD1-CE1 3.81Å; L372-F410 HydrophobicContact CD1-CZ 4.36Å; L372-F410 HydrophobicContact CD2-CD1 4.34Å; L372-F410 HydrophobicContact CD2-CE1 3.63Å; L372-F410 HydrophobicContact CD2-CZ 3.76Å; L372-F410 HydrophobicContact CG-CE1 4.36Å; I406-F410 HydrophobicContact CG2-CD2 3.72Å; I406-F410 HydrophobicContact CG2-CE2 3.67Å; I406-F410 VanDerWaalsContact O-CD2 3.3Å; I406-F410 WeakPolarHBondContact O-CD2 3.36Å; I406-F410 PolarHBondContact O-N 3.37Å; I406-F410 VanDerWaalsContact O-N 3.1Å; V407-F410 CarbonylContact O-C 3.52Å; V407-F410 PolarHBondContact O-N 2.99Å
411T83.7Confident79.3Confident107 Ų10790.9 Ų90.966%0.65645%0.452SS*.  trans-107.337.3176.565.80000112.3V407V407-T411 HydrophobicContact CG1-CG2 4.06Å; V407-T411 WeakPolarHBondContact O-CG2 3.24Å; V407-T411 PolarHBondContact O-N 3.41Å; V407-T411 PolarHBondContact O-OG1 3.41Å
412K73.8Confident79Confident197 Ų19789.6 Ų89.686%0.85745%0.449SS*.  trans-126.50173.8-76.3174.6-179.91780109.2K408 E409K408-K412 WeakPolarHBondContact O-CE 3.03Å; K408-K412 WeakPolarHBondContact O-CG 3.46Å; E409-K412 IonicContact OE1-NZ 3.42Å; E409-K412 PolarHBondContact OE1-NZ 3.41Å

Retrieved 412 of 412 residues in 1069.2 ms (Link to these results)

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