A0A3Q0KHT4_SCHMA Loading...

UPF0769 protein C21orf59 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KHT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 290 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
1M88.3Confident90.2Very high136 Ų13653.3 Ų53.367%0.6727%0.27SS*.  0138.80-61.1-170.4-17100108.9R3 D17 D212M1-R3 PolarHBondContact O-N 3.14Å; M1-D17 HydrophobicContact CB-CB 4.27Å; M1-D17 HydrophobicContact SD-CB 4.32Å; M1-D212 CarbonylContact C-O 3.53Å; M1-D212 VanDerWaalsContact CA-O 3.3Å; M1-D212 WeakPolarHBondContact CA-O 2.81Å; M1-D212 PolarHBondContact N-O 2.98Å
2V90.5Very high90.1Very high0 Ų051.3 Ų51.30%027%0.268CS..EExtended strand (participates in β ladder)trans-68.8124.9174.3-1770000108.6I4 D17 R18 L204 I208 T214 I216V2-I4 HydrophobicContact CG1-CG1 3.94Å; V2-D17 WeakPolarHBondContact O-CA 3.26Å; V2-R18 WeakPolarHBondContact CA-O 3.48Å; V2-R18 WeakPolarHBondContact CB-O 3.34Å; V2-R18 PolarHBondContact N-O 3.41Å; V2-R18 PolarHBondContact O-N 3.34Å; V2-L204 HydrophobicContact CB-CD2 4.15Å; V2-L204 HydrophobicContact CG1-CD2 4.29Å; V2-L204 HydrophobicContact CG2-CD2 4.2Å; V2-I208 HydrophobicContact CG1-CD1 3.62Å; V2-T214 CarbonylContact C-O 3.56Å; V2-T214 WeakPolarHBondContact CA-O 3.17Å; V2-I216 HydrophobicContact CG1-CG1 3.93Å
3R93.1Very high90.1Very high110 Ų11048.3 Ų48.342%0.41525%0.252SS..EExtended strand (participates in β ladder)trans-86.6123.7171.2-50.1-160.2-173.5159.60.9109.4M1 M15 D17 D131 T214 K215 I216M1-R3 PolarHBondContact O-N 3.14Å; R3-M15 HydrophobicContact CB-SD 4.12Å; R3-D17 WeakPolarHBondContact CA-OD1 3.49Å; R3-D17 WeakPolarHBondContact CB-OD1 3.27Å; R3-D17 VanDerWaalsContact CG-OD1 3.22Å; R3-D17 WeakPolarHBondContact CG-OD1 2.91Å; R3-D131 IonicContact NH1-OD1 3.2Å; R3-T214 PolarHBondContact N-O 3.17Å; R3-K215 HydrophobicContact CB-CB 4.22Å; R3-K215 HydrophobicContact CB-CG 4.11Å; R3-K215 CarbonylContact O-C 3.49Å; R3-K215 WeakPolarHBondContact O-CA 3.32Å; R3-I216 PolarHBondContact O-N 3.41Å
4I94.4Very high90.4Very high0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-116.6107.7-175.4-51.2171.6000108.1V2 V6 M15 I16 R18 L27 L204 I216 A218V2-I4 HydrophobicContact CG1-CG1 3.94Å; I4-V6 HydrophobicContact CG2-CG2 4.33Å; I4-V6 PolarHBondContact O-N 2.86Å; I4-M15 CarbonylContact O-C 3.44Å; I4-M15 VanDerWaalsContact O-CA 3.29Å; I4-M15 WeakPolarHBondContact O-CA 3.32Å; I4-I16 HydrophobicContact CB-CG1 3.85Å; I4-I16 HydrophobicContact CD1-CD1 4.46Å; I4-I16 HydrophobicContact CD1-CG1 4.34Å; I4-I16 PolarHBondContact N-O 2.9Å; I4-I16 PolarHBondContact O-N 3.26Å; I4-R18 HydrophobicContact CD1-CB 4.44Å; I4-L27 HydrophobicContact CD1-CD1 3.72Å; I4-L27 HydrophobicContact CD1-CD2 3.89Å; I4-L27 HydrophobicContact CD1-CG 4.45Å; I4-L204 HydrophobicContact CD1-CD2 3.86Å; I4-I216 HydrophobicContact CB-CD1 4.46Å; I4-I216 HydrophobicContact CB-CG1 4.24Å; I4-I216 HydrophobicContact CG1-CD1 4.02Å; I4-I216 HydrophobicContact CG1-CG1 3.89Å; I4-I216 HydrophobicContact CG2-CD1 4.03Å; I4-I216 HydrophobicContact CG2-CG1 4.19Å; I4-A218 HydrophobicContact CG2-CB 3.81Å
5V95.1Very high90.6Very high7 Ų742 Ų424%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-83.3112.1171.7-179.70000108.1K7 A12 M15 V128 I216 I217 A218V5-K7 HydrophobicContact CG1-CG 4.45Å; V5-A12 HydrophobicContact CG1-CB 4.09Å; V5-M15 HydrophobicContact CG2-CG 4.09Å; V5-M15 HydrophobicContact CG2-SD 4.08Å; V5-V128 HydrophobicContact CG1-CG1 3.74Å; V5-V128 HydrophobicContact CG2-CG1 4.29Å; V5-I216 PolarHBondContact N-O 3.02Å; V5-I217 HydrophobicContact CB-CG1 4.37Å; V5-A218 PolarHBondContact O-N 3.24Å
6V94.5Very high90.9Very high2 Ų239.4 Ų39.41%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-87.4120.4178.8-176.80000109.2I4 F13 F14 I31 A218 L220I4-V6 HydrophobicContact CG2-CG2 4.33Å; I4-V6 PolarHBondContact O-N 2.86Å; V6-F13 PolarHBondContact O-N 2.87Å; V6-F14 HydrophobicContact CB-CD2 4.38Å; V6-F14 HydrophobicContact CB-CE1 4.23Å; V6-F14 HydrophobicContact CB-CE2 4.07Å; V6-F14 HydrophobicContact CB-CZ 3.99Å; V6-F14 HydrophobicContact CG1-CE1 4.19Å; V6-F14 HydrophobicContact CG1-CZ 4.06Å; V6-F14 HydrophobicContact CG2-CD2 4.25Å; V6-F14 HydrophobicContact CG2-CE2 3.72Å; V6-F14 HydrophobicContact CG2-CZ 3.96Å; V6-F14 PolarHBondContact N-O 3.01Å; V6-I31 HydrophobicContact CG1-CG2 3.89Å; V6-I31 HydrophobicContact CG2-CD1 3.96Å; V6-I31 HydrophobicContact CG2-CG1 4.03Å; V6-I31 HydrophobicContact CG2-CG2 4.18Å; V6-A218 WeakPolarHBondContact CA-O 3.36Å; V6-L220 HydrophobicContact CG1-CB 4.11Å
7K92.7Very high91.1Very high28 Ų2839.1 Ų39.112%0.12220%0.204CC..EExtended strand (participates in β ladder)trans-112.4151.4175.3-67.3-165.3177.1-170.90111.3V5 Q11 A12 I217 A218 K219 L220 E231V5-K7 HydrophobicContact CG1-CG 4.45Å; K7-Q11 CarbonylContact C-O 3.58Å; K7-Q11 WeakPolarHBondContact CA-O 3.47Å; K7-Q11 WeakPolarHBondContact CB-O 3.04Å; K7-A12 HydrophobicContact CG-CB 4.18Å; K7-I217 HydrophobicContact CD-CG2 3.64Å; K7-I217 HydrophobicContact CG-CG2 3.87Å; K7-A218 PolarHBondContact N-O 2.95Å; K7-K219 HydrophobicContact CB-CG 4.26Å; K7-K219 CarbonylContact O-C 3.55Å; K7-K219 WeakPolarHBondContact O-CA 3.49Å; K7-L220 PolarHBondContact O-N 3.17Å; K7-E231 WeakPolarHBondContact CD-OE1 3.45Å; K7-E231 VanDerWaalsContact NZ-CD 3.33Å; K7-E231 IonicContact NZ-OE1 3.11Å; K7-E231 PolarHBondContact NZ-OE1 3.48Å; K7-E231 IonicContact NZ-OE2 3.51Å; K7-E231 PolarHBondContact NZ-OE2 3.03Å
8K88.2Confident91.2Very high55 Ų5539.4 Ų39.424%0.23920%0.202CC..EExtended strand (participates in β ladder)trans-123.8122.3162.6-174.8178.6-177.7-178.90107.8D10 Q11 F13 Y35 E182K8-D10 PolarHBondContact O-N 3Å; K8-Q11 PolarHBondContact N-O 3.47Å; K8-Q11 PolarHBondContact O-N 2.92Å; K8-F13 HydrophobicContact CB-CD2 3.97Å; K8-F13 HydrophobicContact CB-CE2 3.66Å; K8-F13 HydrophobicContact CB-CZ 4.43Å; K8-Y35 HydrophobicContact CD-CE2 4.14Å; K8-Y35 WeakPolarHBondContact CD-OH 3.08Å; K8-Y35 WeakPolarHBondContact CE-OH 3.35Å; K8-Y35 PolarHBondContact NZ-OH 2.89Å; K8-E182 PolarHBondContact NZ-O 2.72Å
9G84.2Confident91.4Very high44 Ų4439.6 Ų39.645%0.45421%0.206SC..THydrogen-bonded Turntrans61.8-116.7-16700000110.8K219G9-K219 WeakPolarHBondContact O-CE 3.14Å; G9-K219 PolarHBondContact O-NZ 3.49Å
10D84Confident91.3Very high95 Ų9537.8 Ų37.851%0.50820%0.197SC..THydrogen-bonded Turntrans-107.2-7178.6-60.2-32.5000113.1K8 K219K8-D10 PolarHBondContact O-N 3Å; D10-K219 IonicContact OD1-NZ 2.8Å; D10-K219 PolarHBondContact OD1-NZ 3.43Å
11Q86.9Confident91.4Very high109 Ų10939.6 Ų39.651%0.50921%0.213SC..EExtended strand (participates in β ladder)trans-89.9130.6-177.6-63.6-176.3400111.2K7 K8 F13K7-Q11 CarbonylContact C-O 3.58Å; K7-Q11 WeakPolarHBondContact CA-O 3.47Å; K7-Q11 WeakPolarHBondContact CB-O 3.04Å; K8-Q11 PolarHBondContact N-O 3.47Å; K8-Q11 PolarHBondContact O-N 2.92Å; Q11-F13 HydrophobicContact CB-CE2 4.2Å
12A88.8Confident91.6Very high30 Ų3033.9 Ų33.925%0.24819%0.185CC..EExtended strand (participates in β ladder)trans-79.5126.4168.400000110.3V5 K7 V128V5-A12 HydrophobicContact CG1-CB 4.09Å; K7-A12 HydrophobicContact CG-CB 4.18Å; A12-V128 HydrophobicContact CB-CG1 4.12Å; A12-V128 HydrophobicContact CB-CG2 4.45Å
13F90.2Very high91.9Very high12 Ų1235.8 Ų35.85%0.05320%0.198CC..EExtended strand (participates in β ladder)trans-94.8-57.8-179.5-88.8-106.8000110.8V6 K8 Q11 Y35V6-F13 PolarHBondContact O-N 2.87Å; K8-F13 HydrophobicContact CB-CD2 3.97Å; K8-F13 HydrophobicContact CB-CE2 3.66Å; K8-F13 HydrophobicContact CB-CZ 4.43Å; Q11-F13 HydrophobicContact CB-CE2 4.2Å; F13-Y35 AromaticContact CD1-CD2 3.9Å; F13-Y35 HydrophobicContact CD1-CD2 3.9Å; F13-Y35 AromaticContact CD1-CE2 3.56Å; F13-Y35 HydrophobicContact CD1-CE2 3.56Å; F13-Y35 HydrophobicContact CE1-CD2 4.28Å; F13-Y35 AromaticContact CE1-CE2 3.5Å; F13-Y35 HydrophobicContact CE1-CE2 3.5Å; F13-Y35 VanDerWaalsContact CE1-CE2 3.5Å; F13-Y35 HydrophobicContact CE2-CE2 4.47Å; F13-Y35 HydrophobicContact CG-CD2 4.33Å; F13-Y35 HydrophobicContact CG-CE2 4.08Å; F13-Y35 AromaticContact CZ-CE2 3.98Å; F13-Y35 HydrophobicContact CZ-CE2 3.98Å
14F94.6Very high91.9Very high1 Ų130.6 Ų30.60%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-154.9172.9-178.660.1-89.2000111.1V6 I16 I31 I34 Y35 I38 I134V6-F14 HydrophobicContact CB-CD2 4.38Å; V6-F14 HydrophobicContact CB-CE1 4.23Å; V6-F14 HydrophobicContact CB-CE2 4.07Å; V6-F14 HydrophobicContact CB-CZ 3.99Å; V6-F14 HydrophobicContact CG1-CE1 4.19Å; V6-F14 HydrophobicContact CG1-CZ 4.06Å; V6-F14 HydrophobicContact CG2-CD2 4.25Å; V6-F14 HydrophobicContact CG2-CE2 3.72Å; V6-F14 HydrophobicContact CG2-CZ 3.96Å; V6-F14 PolarHBondContact N-O 3.01Å; F14-I16 HydrophobicContact CD2-CG2 3.62Å; F14-I16 HydrophobicContact CE2-CG2 3.59Å; F14-I31 HydrophobicContact CZ-CG2 4.07Å; F14-I34 HydrophobicContact CD1-CG2 4.06Å; F14-I34 HydrophobicContact CD2-CG2 3.8Å; F14-I34 HydrophobicContact CE1-CB 4.45Å; F14-I34 HydrophobicContact CE1-CG2 3.92Å; F14-I34 HydrophobicContact CE2-CB 4.01Å; F14-I34 HydrophobicContact CE2-CD1 4.33Å; F14-I34 HydrophobicContact CE2-CG2 3.62Å; F14-I34 HydrophobicContact CG-CG2 4.02Å; F14-I34 HydrophobicContact CZ-CB 3.91Å; F14-I34 HydrophobicContact CZ-CG2 3.69Å; F14-Y35 HydrophobicContact CE1-CD2 4.32Å; F14-I38 HydrophobicContact CB-CD1 4.15Å; F14-I38 HydrophobicContact CD1-CD1 3.49Å; F14-I38 VanDerWaalsContact CD1-CD1 3.49Å; F14-I38 HydrophobicContact CE1-CD1 4.16Å; F14-I38 HydrophobicContact CG-CD1 4.04Å; F14-I134 HydrophobicContact CB-CB 4.44Å; F14-I134 HydrophobicContact CB-CD1 3.71Å; F14-I134 HydrophobicContact CB-CG1 4.24Å
15M94.3Very high91.9Very high1 Ų135.9 Ų35.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-124142.5176-173.2175.169.200109.5R3 I4 V5 D131 S133 I134R3-M15 HydrophobicContact CB-SD 4.12Å; I4-M15 CarbonylContact O-C 3.44Å; I4-M15 VanDerWaalsContact O-CA 3.29Å; I4-M15 WeakPolarHBondContact O-CA 3.32Å; V5-M15 HydrophobicContact CG2-CG 4.09Å; V5-M15 HydrophobicContact CG2-SD 4.08Å; M15-D131 HydrophobicContact CE-CB 4.43Å; M15-D131 WeakPolarHBondContact CE-O 3.41Å; M15-S133 CarbonylContact O-C 3.51Å; M15-S133 WeakPolarHBondContact O-CA 3.25Å; M15-S133 WeakPolarHBondContact O-CB 3.36Å; M15-I134 PolarHBondContact O-N 2.85Å
16I94.7Very high91.8Very high0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-131151.8174.463.1176.5000110.5I4 F14 R18 L27 I31 I34 I134I4-I16 HydrophobicContact CB-CG1 3.85Å; I4-I16 HydrophobicContact CD1-CD1 4.46Å; I4-I16 HydrophobicContact CD1-CG1 4.34Å; I4-I16 PolarHBondContact N-O 2.9Å; I4-I16 PolarHBondContact O-N 3.26Å; F14-I16 HydrophobicContact CD2-CG2 3.62Å; F14-I16 HydrophobicContact CE2-CG2 3.59Å; I16-R18 HydrophobicContact CD1-CG 4.4Å; I16-L27 HydrophobicContact CD1-CD1 3.56Å; I16-I31 HydrophobicContact CD1-CD1 3.9Å; I16-I31 HydrophobicContact CD1-CG1 3.47Å; I16-I31 VanDerWaalsContact CD1-CG1 3.47Å; I16-I34 HydrophobicContact CG2-CD1 3.88Å; I16-I134 WeakPolarHBondContact CG2-O 3.47Å
17D94Very high91.8Very high35 Ų3541.3 Ų41.319%0.18723%0.228CC..EExtended strand (participates in β ladder)trans-113.9115.2179-63.7-36.3000110.3M1 V2 R3 S133M1-D17 HydrophobicContact CB-CB 4.27Å; M1-D17 HydrophobicContact SD-CB 4.32Å; V2-D17 WeakPolarHBondContact O-CA 3.26Å; R3-D17 WeakPolarHBondContact CA-OD1 3.49Å; R3-D17 WeakPolarHBondContact CB-OD1 3.27Å; R3-D17 VanDerWaalsContact CG-OD1 3.22Å; R3-D17 WeakPolarHBondContact CG-OD1 2.91Å; D17-S133 VanDerWaalsContact OD2-CB 3.26Å; D17-S133 WeakPolarHBondContact OD2-CB 3.45Å; D17-S133 PolarHBondContact OD2-OG 3.36Å
18R94Very high91.8Very high44 Ų4440.2 Ų40.217%0.16622%0.223CC..EExtended strand (participates in β ladder)trans-133.2148.8-179.8-66.4-64.8169.3-108.77.4111.7V2 I4 I16 L27 E30V2-R18 WeakPolarHBondContact CA-O 3.48Å; V2-R18 WeakPolarHBondContact CB-O 3.34Å; V2-R18 PolarHBondContact N-O 3.41Å; V2-R18 PolarHBondContact O-N 3.34Å; I4-R18 HydrophobicContact CD1-CB 4.44Å; I16-R18 HydrophobicContact CD1-CG 4.4Å; R18-L27 HydrophobicContact CB-CD1 4.5Å; R18-L27 HydrophobicContact CG-CD1 4.08Å; R18-E30 IonicContact CZ-OE1 2.7Å; R18-E30 IonicContact CZ-OE2 2.69Å; R18-E30 IonicContact NE-OE1 2.68Å; R18-E30 IonicContact NE-OE2 2.78Å; R18-E30 PolarHBondContact NE-OE2 3.27Å; R18-E30 VanDerWaalsContact NH2-CD 3.28Å; R18-E30 IonicContact NH2-OE1 2.83Å; R18-E30 PolarHBondContact NH2-OE1 2.81Å; R18-E30 IonicContact NH2-OE2 3.57Å; R18-E30 PolarHBondContact NH2-OE2 3.42Å
19P93.7Very high92.1Very high43 Ų4339.9 Ų39.928%0.27923%0.228SC..  trans-65.3151.1174.127.8-32.9000110.9S21 T22P19-S21 PolarHBondContact O-N 3.01Å; P19-S21 VanDerWaalsContact O-N 3.12Å; P19-T22 VanDerWaalsContact CD-OG1 3.31Å; P19-T22 WeakPolarHBondContact CD-OG1 3.45Å; P19-T22 WeakPolarHBondContact CG-OG1 3.4Å; P19-T22 WeakPolarHBondContact O-CB 3.41Å; P19-T22 PolarHBondContact O-N 3.2Å; P19-T22 PolarHBondContact O-OG1 3.41Å; P19-T22 VanDerWaalsContact O-OG1 3.11Å
20S90.5Very high92.5Very high4 Ų439.5 Ų39.53%0.02822%0.215CC..THydrogen-bonded Turntrans-60.9-19175.859.50000113.3T22 L204 S205 D212S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 2.92Å; S20-L204 CarbonylContact O-C 3.6Å; S20-L204 WeakPolarHBondContact O-CB 3.24Å; S20-S205 WeakPolarHBondContact O-CB 3.4Å; S20-S205 PolarHBondContact O-N 3.26Å; S20-D212 WeakPolarHBondContact CB-OD1 3.36Å; S20-D212 PolarHBondContact N-OD1 3.39Å; S20-D212 PolarHBondContact OG-OD1 3.47Å
21S92.3Very high93Very high76 Ų7635 Ų3553%0.53119%0.19SC..THydrogen-bonded Turntrans-80-1.2175.163.20000114.6P19 L203P19-S21 PolarHBondContact O-N 3.01Å; P19-S21 VanDerWaalsContact O-N 3.12Å; S21-L203 WeakPolarHBondContact O-CD2 3.31Å
22T94Very high93.4Very high15 Ų1529.9 Ų29.99%0.09217%0.167CC..  trans-68.7129.9179.9-61.80000110.8P19 S20 E26 L27 L204P19-T22 VanDerWaalsContact CD-OG1 3.31Å; P19-T22 WeakPolarHBondContact CD-OG1 3.45Å; P19-T22 WeakPolarHBondContact CG-OG1 3.4Å; P19-T22 WeakPolarHBondContact O-CB 3.41Å; P19-T22 PolarHBondContact O-N 3.2Å; P19-T22 PolarHBondContact O-OG1 3.41Å; P19-T22 VanDerWaalsContact O-OG1 3.11Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 2.92Å; T22-E26 HydrophobicContact CG2-CB 4.4Å; T22-L27 HydrophobicContact CG2-CB 4.14Å; T22-L204 WeakPolarHBondContact O-CB 3.09Å; T22-L204 PolarHBondContact O-N 3.35Å
23P95.7Very high93.6Very high41 Ų4132.4 Ų32.427%0.26617%0.173SC..BIsolated β-bridgetrans-59.7137.6170-2333.9000111.8E25 E26 L27 L203P23-E25 PolarHBondContact O-N 3.2Å; P23-E26 HydrophobicContact CB-CB 4.49Å; P23-E26 HydrophobicContact CB-CG 4.24Å; P23-E26 WeakPolarHBondContact CD-OE2 3.49Å; P23-E26 HydrophobicContact CG-CG 4.3Å; P23-E26 PolarHBondContact O-N 3.44Å; P23-L27 WeakPolarHBondContact O-CB 3.41Å; P23-L27 PolarHBondContact O-N 3.4Å; P23-L203 HydrophobicContact CB-CD2 4.45Å; P23-L203 HydrophobicContact CG-CD2 4.19Å
24I93.6Very high93.8Very high0 Ų031.8 Ų31.80%017%0.171CC..Hα-helixtrans-60.2-29.4178.5-66.6-59.1000111.9L27 L28 M198 K202 L204 Y207I24-L27 HydrophobicContact CD1-CD2 4.12Å; I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 VanDerWaalsContact O-CB 3.26Å; I24-L28 WeakPolarHBondContact O-CB 3.48Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.39Å; I24-L28 PolarHBondContact O-N 3.07Å; I24-M198 HydrophobicContact CD1-CB 4.06Å; I24-M198 HydrophobicContact CD1-CG 4.41Å; I24-M198 HydrophobicContact CD1-SD 3.75Å; I24-M198 HydrophobicContact CG1-CB 4.3Å; I24-M198 HydrophobicContact CG2-CB 3.88Å; I24-K202 WeakPolarHBondContact CG1-O 3.39Å; I24-K202 PolarHBondContact N-O 3.22Å; I24-L204 HydrophobicContact CD1-CB 4.17Å; I24-L204 HydrophobicContact CD1-CD1 3.83Å; I24-Y207 HydrophobicContact CG1-CE2 4.45Å
25E93.4Very high93.9Very high112 Ų11231.8 Ų31.852%0.52317%0.171SC..Hα-helixtrans-66.4-47.3177.6-177.3165.2-157.700112.8P23 L27 L28 S29P23-E25 PolarHBondContact O-N 3.2Å; E25-L27 VanDerWaalsContact C-N 3.35Å; E25-L28 PolarHBondContact O-N 2.92Å; E25-S29 PolarHBondContact O-N 3.1Å
26E93.9Very high93.8Very high123 Ų12333.6 Ų33.658%0.57518%0.18SC*.Hα-helixtrans-62.9-44.3174.5-66.6178.8-173.800110.8T22 P23 L28 S29 E30T22-E26 HydrophobicContact CG2-CB 4.4Å; P23-E26 HydrophobicContact CB-CB 4.49Å; P23-E26 HydrophobicContact CB-CG 4.24Å; P23-E26 WeakPolarHBondContact CD-OE2 3.49Å; P23-E26 HydrophobicContact CG-CG 4.3Å; P23-E26 PolarHBondContact O-N 3.44Å; E26-L28 VanDerWaalsContact C-N 3.35Å; E26-L28 PolarHBondContact O-N 3.42Å; E26-S29 PolarHBondContact O-N 3.04Å; E26-E30 WeakPolarHBondContact O-CB 3.45Å; E26-E30 PolarHBondContact O-N 3.32Å
27L93.4Very high93.8Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-59.8-43.5177.2-178.865.3000112I4 I16 R18 T22 P23 I24 E25 I31 L191 L204I4-L27 HydrophobicContact CD1-CD1 3.72Å; I4-L27 HydrophobicContact CD1-CD2 3.89Å; I4-L27 HydrophobicContact CD1-CG 4.45Å; I16-L27 HydrophobicContact CD1-CD1 3.56Å; R18-L27 HydrophobicContact CB-CD1 4.5Å; R18-L27 HydrophobicContact CG-CD1 4.08Å; T22-L27 HydrophobicContact CG2-CB 4.14Å; P23-L27 WeakPolarHBondContact O-CB 3.41Å; P23-L27 PolarHBondContact O-N 3.4Å; I24-L27 HydrophobicContact CD1-CD2 4.12Å; E25-L27 VanDerWaalsContact C-N 3.35Å; L27-I31 HydrophobicContact CD1-CD1 3.91Å; L27-I31 HydrophobicContact CD1-CG1 4.33Å; L27-I31 HydrophobicContact CG-CD1 3.8Å; L27-I31 WeakPolarHBondContact O-CB 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.44Å; L27-I31 PolarHBondContact O-N 3.11Å; L27-L191 HydrophobicContact CD2-CD2 4.1Å; L27-L191 HydrophobicContact CG-CD2 4.42Å; L27-L204 HydrophobicContact CD2-CD1 3.87Å; L27-L204 HydrophobicContact CD2-CD2 4.47Å
28L93.5Very high93.8Very high4 Ų432.6 Ų32.62%0.02118%0.177CC..Hα-helixtrans-63.2-47.1177.1-86.7170.1000111.5I24 E25 E26 E30 I31 C32 A189 L191 R200I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 VanDerWaalsContact O-CB 3.26Å; I24-L28 WeakPolarHBondContact O-CB 3.48Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.39Å; I24-L28 PolarHBondContact O-N 3.07Å; E25-L28 PolarHBondContact O-N 2.92Å; E26-L28 VanDerWaalsContact C-N 3.35Å; E26-L28 PolarHBondContact O-N 3.42Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-E30 PolarHBondContact O-N 2.96Å; L28-I31 PolarHBondContact O-N 2.95Å; L28-C32 WeakPolarHBondContact O-CB 3.37Å; L28-C32 PolarHBondContact O-N 3.25Å; L28-C32 PolarHBondContact O-SG 3.01Å; L28-A189 HydrophobicContact CD2-CB 4.12Å; L28-L191 HydrophobicContact CD2-CB 3.55Å; L28-L191 HydrophobicContact CG-CB 4.4Å; L28-R200 HydrophobicContact CD1-CG 3.91Å
29S94Very high93.8Very high48 Ų4831 Ų3134%0.33617%0.171SC..Hα-helixtrans-57-50.4178.3-171.80000110.5E25 E26 C32 E33E25-S29 PolarHBondContact O-N 3.1Å; E26-S29 PolarHBondContact O-N 3.04Å; S29-C32 PolarHBondContact O-N 2.68Å; S29-E33 WeakPolarHBondContact O-CG 3.39Å; S29-E33 PolarHBondContact O-N 3.09Å
30E93.9Very high93.8Very high37 Ų3729.6 Ų29.617%0.17316%0.161CC..Hα-helixtrans-64-44.7-179.6177.4166-137.800113.2R18 E26 L28 C32 E33 I34R18-E30 IonicContact CZ-OE1 2.7Å; R18-E30 IonicContact CZ-OE2 2.69Å; R18-E30 IonicContact NE-OE1 2.68Å; R18-E30 IonicContact NE-OE2 2.78Å; R18-E30 PolarHBondContact NE-OE2 3.27Å; R18-E30 VanDerWaalsContact NH2-CD 3.28Å; R18-E30 IonicContact NH2-OE1 2.83Å; R18-E30 PolarHBondContact NH2-OE1 2.81Å; R18-E30 IonicContact NH2-OE2 3.57Å; R18-E30 PolarHBondContact NH2-OE2 3.42Å; E26-E30 WeakPolarHBondContact O-CB 3.45Å; E26-E30 PolarHBondContact O-N 3.32Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-E30 PolarHBondContact O-N 2.96Å; E30-C32 PolarHBondContact O-N 3.37Å; E30-E33 PolarHBondContact O-N 3.19Å; E30-I34 HydrophobicContact CG-CD1 3.87Å; E30-I34 HydrophobicContact CG-CG1 4.48Å; E30-I34 WeakPolarHBondContact O-CG1 3.5Å; E30-I34 PolarHBondContact O-N 2.9Å
31I94.7Very high94.1Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-58.7-41.3175.6-75.2170.2000110.3V6 F14 I16 L27 L28 Y35 L191 L220V6-I31 HydrophobicContact CG1-CG2 3.89Å; V6-I31 HydrophobicContact CG2-CD1 3.96Å; V6-I31 HydrophobicContact CG2-CG1 4.03Å; V6-I31 HydrophobicContact CG2-CG2 4.18Å; F14-I31 HydrophobicContact CZ-CG2 4.07Å; I16-I31 HydrophobicContact CD1-CD1 3.9Å; I16-I31 HydrophobicContact CD1-CG1 3.47Å; I16-I31 VanDerWaalsContact CD1-CG1 3.47Å; L27-I31 HydrophobicContact CD1-CD1 3.91Å; L27-I31 HydrophobicContact CD1-CG1 4.33Å; L27-I31 HydrophobicContact CG-CD1 3.8Å; L27-I31 WeakPolarHBondContact O-CB 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.44Å; L27-I31 PolarHBondContact O-N 3.11Å; L28-I31 PolarHBondContact O-N 2.95Å; I31-Y35 WeakPolarHBondContact O-CB 3.36Å; I31-Y35 PolarHBondContact O-N 3.38Å; I31-L191 HydrophobicContact CD1-CD1 4.18Å; I31-L191 HydrophobicContact CD1-CD2 3.52Å; I31-L220 HydrophobicContact CG2-CD1 4.16Å; I31-L220 HydrophobicContact CG2-CD2 4.11Å
32C93.9Very high94.2Very high2 Ų229.2 Ų29.21%0.01415%0.15CC..Hα-helixtrans-68.3-41.6178.8-66.30000112.1L28 S29 E30 Y35 N36 A186 A189L28-C32 WeakPolarHBondContact O-CB 3.37Å; L28-C32 PolarHBondContact O-N 3.25Å; L28-C32 PolarHBondContact O-SG 3.01Å; S29-C32 PolarHBondContact O-N 2.68Å; E30-C32 PolarHBondContact O-N 3.37Å; C32-Y35 PolarHBondContact O-N 2.92Å; C32-N36 VanDerWaalsContact O-CB 3.25Å; C32-N36 WeakPolarHBondContact O-CB 3.31Å; C32-N36 PolarHBondContact O-N 3.46Å; C32-N36 PolarHBondContact O-ND2 3.1Å; C32-N36 VanDerWaalsContact O-ND2 3.14Å; C32-A186 HydrophobicContact CB-CB 4.42Å; C32-A189 WeakPolarHBondContact SG-CB 3.3Å
33E93.8Very high94.2Very high82 Ų8230.7 Ų30.738%0.38315%0.154SC..Hα-helixtrans-60.5-47.1175.5-72.7-179.1152.100111.7S29 E30 G37 K136S29-E33 WeakPolarHBondContact O-CG 3.39Å; S29-E33 PolarHBondContact O-N 3.09Å; E30-E33 PolarHBondContact O-N 3.19Å; E33-G37 PolarHBondContact O-N 2.92Å; E33-K136 IonicContact OE1-NZ 3.71Å; E33-K136 PolarHBondContact OE1-NZ 2.99Å; E33-K136 VanDerWaalsContact OE2-CD 3.31Å; E33-K136 WeakPolarHBondContact OE2-CD 3.45Å; E33-K136 WeakPolarHBondContact OE2-CE 3.26Å; E33-K136 IonicContact OE2-NZ 3.62Å; E33-K136 PolarHBondContact OE2-NZ 3.24Å
34I95Very high94.2Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-64.9-47.7177.6-65.2169.6000110.1F14 I16 E30 G37 I38 I134 I139F14-I34 HydrophobicContact CD1-CG2 4.06Å; F14-I34 HydrophobicContact CD2-CG2 3.8Å; F14-I34 HydrophobicContact CE1-CB 4.45Å; F14-I34 HydrophobicContact CE1-CG2 3.92Å; F14-I34 HydrophobicContact CE2-CB 4.01Å; F14-I34 HydrophobicContact CE2-CD1 4.33Å; F14-I34 HydrophobicContact CE2-CG2 3.62Å; F14-I34 HydrophobicContact CG-CG2 4.02Å; F14-I34 HydrophobicContact CZ-CB 3.91Å; F14-I34 HydrophobicContact CZ-CG2 3.69Å; I16-I34 HydrophobicContact CG2-CD1 3.88Å; E30-I34 HydrophobicContact CG-CD1 3.87Å; E30-I34 HydrophobicContact CG-CG1 4.48Å; E30-I34 WeakPolarHBondContact O-CG1 3.5Å; E30-I34 PolarHBondContact O-N 2.9Å; I34-G37 PolarHBondContact O-N 2.99Å; I34-I38 HydrophobicContact CG2-CD1 3.88Å; I34-I38 HydrophobicContact CG2-CG1 4.43Å; I34-I38 VanDerWaalsContact O-CG1 3.26Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 3.25Å; I34-I134 HydrophobicContact CG2-CG2 4.22Å; I34-I139 HydrophobicContact CG2-CD1 4.38Å; I34-I139 HydrophobicContact CG2-CG1 4.28Å
35Y94.8Very high94.3Very high1 Ų128.8 Ų28.80%0.00414%0.142CC..Hα-helixtrans-59.1-51.1-179.9177.9-102.7000112.2K8 F13 F14 I31 C32 G37 I38 L39 E182 I184 L220K8-Y35 HydrophobicContact CD-CE2 4.14Å; K8-Y35 WeakPolarHBondContact CD-OH 3.08Å; K8-Y35 WeakPolarHBondContact CE-OH 3.35Å; K8-Y35 PolarHBondContact NZ-OH 2.89Å; F13-Y35 AromaticContact CD1-CD2 3.9Å; F13-Y35 HydrophobicContact CD1-CD2 3.9Å; F13-Y35 AromaticContact CD1-CE2 3.56Å; F13-Y35 HydrophobicContact CD1-CE2 3.56Å; F13-Y35 HydrophobicContact CE1-CD2 4.28Å; F13-Y35 AromaticContact CE1-CE2 3.5Å; F13-Y35 HydrophobicContact CE1-CE2 3.5Å; F13-Y35 VanDerWaalsContact CE1-CE2 3.5Å; F13-Y35 HydrophobicContact CE2-CE2 4.47Å; F13-Y35 HydrophobicContact CG-CD2 4.33Å; F13-Y35 HydrophobicContact CG-CE2 4.08Å; F13-Y35 AromaticContact CZ-CE2 3.98Å; F13-Y35 HydrophobicContact CZ-CE2 3.98Å; F14-Y35 HydrophobicContact CE1-CD2 4.32Å; I31-Y35 WeakPolarHBondContact O-CB 3.36Å; I31-Y35 PolarHBondContact O-N 3.38Å; C32-Y35 PolarHBondContact O-N 2.92Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-G37 PolarHBondContact O-N 2.97Å; Y35-I38 PolarHBondContact O-N 3.32Å; Y35-L39 HydrophobicContact CD1-CD1 4.16Å; Y35-L39 HydrophobicContact CE1-CD1 3.5Å; Y35-L39 HydrophobicContact CE1-CG 4.25Å; Y35-L39 WeakPolarHBondContact O-CG 3.4Å; Y35-L39 PolarHBondContact O-N 3.41Å; Y35-L39 VanDerWaalsContact O-N 3.1Å; Y35-E182 WeakPolarHBondContact CE1-O 3.33Å; Y35-E182 PolarHBondContact OH-O 3.44Å; Y35-I184 HydrophobicContact CE1-CD1 4.21Å; Y35-I184 HydrophobicContact CE1-CG1 4.28Å; Y35-L220 HydrophobicContact CD1-CD2 3.95Å; Y35-L220 HydrophobicContact CD2-CD2 4.13Å; Y35-L220 HydrophobicContact CE1-CD2 4.45Å; Y35-L220 HydrophobicContact CG-CD2 3.78Å
36N93.5Very high94.3Very high39 Ų3925.1 Ų25.121%0.20913%0.134CC..Hα-helixtrans-67-34.8178.7-66.5-28.5000111.4C32 L39 K40 I184C32-N36 VanDerWaalsContact O-CB 3.25Å; C32-N36 WeakPolarHBondContact O-CB 3.31Å; C32-N36 PolarHBondContact O-N 3.46Å; C32-N36 PolarHBondContact O-ND2 3.1Å; C32-N36 VanDerWaalsContact O-ND2 3.14Å; N36-L39 PolarHBondContact O-N 2.98Å; N36-K40 VanDerWaalsContact O-CB 3.29Å; N36-K40 WeakPolarHBondContact O-CB 3.41Å; N36-K40 PolarHBondContact O-N 3.48Å; N36-I184 PolarHBondContact ND2-O 3.47Å; N36-I184 PolarHBondContact OD1-N 2.86Å; N36-I184 VanDerWaalsContact OD1-N 3.14Å; N36-I184 PolarHBondContact OD1-O 2.86Å
37G94.3Very high94.3Very high9 Ų921.2 Ų21.29%0.09312%0.116CC..Hα-helixtrans-62.6-42173.900000113.1E33 I34 Y35 K40 I41E33-G37 PolarHBondContact O-N 2.92Å; I34-G37 PolarHBondContact O-N 2.99Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-G37 PolarHBondContact O-N 2.97Å; G37-K40 WeakPolarHBondContact O-CB 3.12Å; G37-K40 PolarHBondContact O-N 2.95Å; G37-I41 WeakPolarHBondContact O-CD1 3.44Å; G37-I41 VanDerWaalsContact O-CG1 3.29Å; G37-I41 WeakPolarHBondContact O-CG1 3.41Å; G37-I41 PolarHBondContact O-N 2.92Å
38I94.6Very high94.4Very high4 Ų421.2 Ų21.22%0.02112%0.116CC..Hα-helixtrans-60.9-47.2173.4-70.4170.2000110.4F14 I34 Y35 K40 I41 H42 I123 I139F14-I38 HydrophobicContact CB-CD1 4.15Å; F14-I38 HydrophobicContact CD1-CD1 3.49Å; F14-I38 VanDerWaalsContact CD1-CD1 3.49Å; F14-I38 HydrophobicContact CE1-CD1 4.16Å; F14-I38 HydrophobicContact CG-CD1 4.04Å; I34-I38 HydrophobicContact CG2-CD1 3.88Å; I34-I38 HydrophobicContact CG2-CG1 4.43Å; I34-I38 VanDerWaalsContact O-CG1 3.26Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 3.25Å; Y35-I38 PolarHBondContact O-N 3.32Å; I38-K40 VanDerWaalsContact C-N 3.31Å; I38-K40 PolarHBondContact O-N 3.33Å; I38-I41 PolarHBondContact O-N 3.37Å; I38-H42 PolarHBondContact O-CD2 2.97Å; I38-H42 PolarHBondContact O-N 2.89Å; I38-H42 VanDerWaalsContact O-N 3.08Å; I38-I123 HydrophobicContact CG1-CB 4.18Å; I38-I123 HydrophobicContact CG1-CG2 4.27Å; I38-I123 HydrophobicContact CG2-CD1 4.13Å; I38-I139 HydrophobicContact CD1-CD1 4.44Å; I38-I139 HydrophobicContact CG1-CD1 3.61Å
39L93.6Very high94.5Very high10 Ų1024.7 Ų24.75%0.05213%0.132CC..Hα-helixtrans-59.5-43.7176.4-66.6-179000111.5Y35 N36 H42 R43 E182 V183Y35-L39 HydrophobicContact CD1-CD1 4.16Å; Y35-L39 HydrophobicContact CE1-CD1 3.5Å; Y35-L39 HydrophobicContact CE1-CG 4.25Å; Y35-L39 WeakPolarHBondContact O-CG 3.4Å; Y35-L39 PolarHBondContact O-N 3.41Å; Y35-L39 VanDerWaalsContact O-N 3.1Å; N36-L39 PolarHBondContact O-N 2.98Å; L39-H42 PolarHBondContact O-N 3.35Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 3.29Å; L39-E182 HydrophobicContact CD1-CB 3.82Å; L39-V183 HydrophobicContact CD1-CG2 4.21Å
40K94.2Very high94.5Very high15 Ų1524.8 Ų24.87%0.06513%0.127CC..Hα-helixtrans-60-47.5178.4-178.4157.6-166.4148.20112.3N36 G37 I38 H42 R43 I44 L143 E167 N170 E172N36-K40 VanDerWaalsContact O-CB 3.29Å; N36-K40 WeakPolarHBondContact O-CB 3.41Å; N36-K40 PolarHBondContact O-N 3.48Å; G37-K40 WeakPolarHBondContact O-CB 3.12Å; G37-K40 PolarHBondContact O-N 2.95Å; I38-K40 VanDerWaalsContact C-N 3.31Å; I38-K40 PolarHBondContact O-N 3.33Å; K40-H42 VanDerWaalsContact C-N 3.3Å; K40-H42 PolarHBondContact O-N 2.86Å; K40-R43 PolarHBondContact O-N 3.42Å; K40-I44 HydrophobicContact CG-CD1 3.86Å; K40-I44 WeakPolarHBondContact O-CG1 3.45Å; K40-I44 PolarHBondContact O-N 3.5Å; K40-L143 HydrophobicContact CG-CD2 4.38Å; K40-E167 WeakPolarHBondContact CE-O 3.43Å; K40-E167 VanDerWaalsContact CE-OE2 3.23Å; K40-E167 WeakPolarHBondContact CE-OE2 3.31Å; K40-E167 WeakPolarHBondContact CG-OE2 3.49Å; K40-E167 PolarHBondContact NZ-O 3.14Å; K40-E167 IonicContact NZ-OE2 2.75Å; K40-N170 PolarHBondContact NZ-OD1 3.34Å; K40-E172 VanDerWaalsContact NZ-CD 3.34Å; K40-E172 IonicContact NZ-OE1 2.9Å; K40-E172 PolarHBondContact NZ-OE1 3.11Å; K40-E172 IonicContact NZ-OE2 2.95Å; K40-E172 PolarHBondContact NZ-OE2 3.37Å
41I95.6Very high94.5Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-58.9-42.7175.5-69161.8000110.9G37 I38 I44 C45 I123 I139 A142 L143 L146G37-I41 WeakPolarHBondContact O-CD1 3.44Å; G37-I41 VanDerWaalsContact O-CG1 3.29Å; G37-I41 WeakPolarHBondContact O-CG1 3.41Å; G37-I41 PolarHBondContact O-N 2.92Å; I38-I41 PolarHBondContact O-N 3.37Å; I41-I44 PolarHBondContact O-N 3.11Å; I41-C45 WeakPolarHBondContact O-CB 3.42Å; I41-C45 PolarHBondContact O-N 2.84Å; I41-C45 PolarHBondContact O-SG 2.91Å; I41-I123 HydrophobicContact CB-CD1 3.68Å; I41-I123 HydrophobicContact CD1-CD1 4.18Å; I41-I123 HydrophobicContact CD1-CG2 3.89Å; I41-I123 HydrophobicContact CG2-CD1 3.36Å; I41-I123 HydrophobicContact CG2-CG1 4.34Å; I41-I139 HydrophobicContact CD1-CD1 4.18Å; I41-I139 HydrophobicContact CD1-CG2 4.02Å; I41-A142 HydrophobicContact CD1-CB 3.66Å; I41-A142 HydrophobicContact CG1-CB 4.43Å; I41-L143 HydrophobicContact CD1-CG 4.41Å; I41-L143 HydrophobicContact CG1-CD2 3.7Å; I41-L143 HydrophobicContact CG1-CG 4Å; I41-L146 HydrophobicContact CG2-CD1 4Å
42H94.7Very high94.6Very high72 Ų7223.3 Ų23.333%0.33312%0.121SC..Hα-helixtrans-62.9-41.2176.8-77.2-55.7000113I38 L39 K40 C45 G46I38-H42 PolarHBondContact O-CD2 2.97Å; I38-H42 PolarHBondContact O-N 2.89Å; I38-H42 VanDerWaalsContact O-N 3.08Å; L39-H42 PolarHBondContact O-N 3.35Å; K40-H42 VanDerWaalsContact C-N 3.3Å; K40-H42 PolarHBondContact O-N 2.86Å; H42-C45 PolarHBondContact O-N 3.37Å; H42-G46 PolarHBondContact O-N 2.91Å
43R93.7Very high94.6Very high45 Ų4528 Ų2817%0.1714%0.141CC..Hα-helixtrans-63.1-47.5175.6-68-169.1-53.4-993.8111.7L39 K40 C45 G46 E47 E167 E172L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 3.29Å; K40-R43 PolarHBondContact O-N 3.42Å; R43-C45 VanDerWaalsContact C-N 3.32Å; R43-C45 PolarHBondContact O-N 3.31Å; R43-G46 PolarHBondContact O-N 3.47Å; R43-G46 VanDerWaalsContact O-N 3.15Å; R43-E47 PolarHBondContact O-N 2.91Å; R43-E167 IonicContact CZ-OE1 2.84Å; R43-E167 IonicContact CZ-OE2 2.99Å; R43-E167 IonicContact NE-OE1 3.64Å; R43-E167 PolarHBondContact NE-OE1 3.42Å; R43-E167 IonicContact NE-OE2 3.01Å; R43-E167 IonicContact NH2-OE1 2.99Å; R43-E167 PolarHBondContact NH2-OE1 2.94Å; R43-E167 IonicContact NH2-OE2 2.77Å; R43-E167 PolarHBondContact NH2-OE2 3.31Å; R43-E172 IonicContact NH2-OE1 3.93Å
44I95.7Very high94.6Very high1 Ų125.3 Ų25.31%0.00513%0.129CC..Hα-helixtrans-58.9-46177.4-66.7162.5000110.2K40 I41 G46 E47 M48 L143 L146 I164 E167 F168K40-I44 HydrophobicContact CG-CD1 3.86Å; K40-I44 WeakPolarHBondContact O-CG1 3.45Å; K40-I44 PolarHBondContact O-N 3.5Å; I41-I44 PolarHBondContact O-N 3.11Å; I44-G46 VanDerWaalsContact C-N 3.33Å; I44-G46 PolarHBondContact O-N 3.31Å; I44-E47 PolarHBondContact O-N 3.48Å; I44-M48 HydrophobicContact CG2-CG 4.11Å; I44-M48 HydrophobicContact CG2-SD 3.65Å; I44-M48 WeakPolarHBondContact O-CB 3.39Å; I44-M48 VanDerWaalsContact O-CG 3.26Å; I44-M48 WeakPolarHBondContact O-CG 3.41Å; I44-M48 PolarHBondContact O-N 3.48Å; I44-L143 HydrophobicContact CD1-CD2 3.61Å; I44-L146 HydrophobicContact CB-CD1 4.35Å; I44-L146 HydrophobicContact CG2-CB 4.38Å; I44-L146 HydrophobicContact CG2-CD1 3.92Å; I44-I164 HydrophobicContact CG2-CG2 4.4Å; I44-E167 HydrophobicContact CD1-CB 4.08Å; I44-E167 HydrophobicContact CG1-CB 3.75Å; I44-E167 HydrophobicContact CG1-CG 4.18Å; I44-F168 HydrophobicContact CD1-CD1 4.08Å; I44-F168 HydrophobicContact CD1-CE1 3.88Å; I44-F168 HydrophobicContact CG1-CE1 4.5Å; I44-F168 HydrophobicContact CG2-CE1 4.01Å; I44-F168 HydrophobicContact CG2-CZ 4.16Å
45C95.9Very high94.5Very high1 Ų125.3 Ų25.31%0.00713%0.129CC..Hα-helixtrans-60.2-42.1176.8-68.30000112.1I41 H42 R43 M48 E49 M116I41-C45 WeakPolarHBondContact O-CB 3.42Å; I41-C45 PolarHBondContact O-N 2.84Å; I41-C45 PolarHBondContact O-SG 2.91Å; H42-C45 PolarHBondContact O-N 3.37Å; R43-C45 VanDerWaalsContact C-N 3.32Å; R43-C45 PolarHBondContact O-N 3.31Å; C45-M48 PolarHBondContact O-N 2.8Å; C45-E49 WeakPolarHBondContact O-CG 3.35Å; C45-E49 PolarHBondContact O-N 3.31Å; C45-M116 HydrophobicContact CB-CG 4.39Å; C45-M116 HydrophobicContact CB-SD 4.4Å
46G94Very high94.4Very high34 Ų3425.3 Ų25.335%0.35113%0.128SC..Hα-helixtrans-61-44.1176.600000112.6H42 R43 I44 E49H42-G46 PolarHBondContact O-N 2.91Å; R43-G46 PolarHBondContact O-N 3.47Å; R43-G46 VanDerWaalsContact O-N 3.15Å; I44-G46 VanDerWaalsContact C-N 3.33Å; I44-G46 PolarHBondContact O-N 3.31Å; G46-E49 PolarHBondContact O-N 2.81Å
47E94.2Very high94.5Very high42 Ų4223.5 Ų23.520%0.19612%0.119CC..Hα-helixtrans-72.6-30.6177.2-69.4-69.1170.900112.6R43 I44 E49 E50 L51 R98 R99 P163 I164R43-E47 PolarHBondContact O-N 2.91Å; I44-E47 PolarHBondContact O-N 3.48Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E50 PolarHBondContact O-N 3.38Å; E47-L51 PolarHBondContact O-N 3.33Å; E47-R98 IonicContact OE1-CZ 3.48Å; E47-R98 IonicContact OE1-NH1 2.62Å; E47-R98 PolarHBondContact OE1-NH1 2.75Å; E47-R98 IonicContact OE1-NH2 3.36Å; E47-R98 PolarHBondContact OE1-NH2 2.77Å; E47-R98 IonicContact OE2-CZ 3.04Å; E47-R98 IonicContact OE2-NH1 3.69Å; E47-R98 PolarHBondContact OE2-NH1 3.46Å; E47-R98 IonicContact OE2-NH2 3.71Å; E47-R99 PolarHBondContact O-NH2 2.88Å; E47-R99 IonicContact OE2-CZ 2.67Å; E47-R99 IonicContact OE2-NH2 3.99Å; E47-R99 PolarHBondContact OE2-NH2 3.37Å; E47-P163 HydrophobicContact CG-CB 3.97Å; E47-I164 HydrophobicContact CB-CD1 4.2Å; E47-I164 HydrophobicContact CB-CG1 3.67Å
48M95.1Very high94.4Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-68.6-29.5173.8-78.5178.271.200112.8I44 C45 E50 L51 A52 L112 M116 L146 V150 I164I44-M48 HydrophobicContact CG2-CG 4.11Å; I44-M48 HydrophobicContact CG2-SD 3.65Å; I44-M48 WeakPolarHBondContact O-CB 3.39Å; I44-M48 VanDerWaalsContact O-CG 3.26Å; I44-M48 WeakPolarHBondContact O-CG 3.41Å; I44-M48 PolarHBondContact O-N 3.48Å; C45-M48 PolarHBondContact O-N 2.8Å; M48-E50 VanDerWaalsContact C-N 3.32Å; M48-L51 PolarHBondContact O-N 2.81Å; M48-A52 VanDerWaalsContact O-CB 3.31Å; M48-A52 WeakPolarHBondContact O-CB 3.47Å; M48-A52 PolarHBondContact O-N 2.95Å; M48-L112 HydrophobicContact CE-CB 4.46Å; M48-L112 HydrophobicContact CE-CD2 3.55Å; M48-M116 HydrophobicContact CB-CG 4.15Å; M48-M116 HydrophobicContact CB-SD 3.39Å; M48-M116 WeakPolarHBondContact CB-SD 3.26Å; M48-M116 HydrophobicContact CE-CG 4.02Å; M48-M116 HydrophobicContact SD-CG 4.28Å; M48-L146 HydrophobicContact CE-CD2 3.97Å; M48-L146 HydrophobicContact SD-CB 4.12Å; M48-L146 HydrophobicContact SD-CD2 3.57Å; M48-L146 VanDerWaalsContact SD-CD2 3.57Å; M48-L146 HydrophobicContact SD-CG 4.34Å; M48-V150 HydrophobicContact CE-CG2 3.87Å; M48-V150 HydrophobicContact CG-CG2 4.35Å; M48-V150 HydrophobicContact SD-CG2 4.07Å; M48-I164 HydrophobicContact CB-CD1 4.49Å; M48-I164 HydrophobicContact CG-CD1 3.8Å; M48-I164 HydrophobicContact CG-CG1 4.38Å
49E95.5Very high94.3Very high76 Ų7624.5 Ų24.536%0.35512%0.123SC..Hα-helixtrans-63.1-40.9171.9-74.2172.6-158.900111.1C45 G46 E47 A52 K53 M116 K120C45-E49 WeakPolarHBondContact O-CG 3.35Å; C45-E49 PolarHBondContact O-N 3.31Å; G46-E49 PolarHBondContact O-N 2.81Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E49-A52 PolarHBondContact O-N 3.42Å; E49-K53 WeakPolarHBondContact O-CG 3.44Å; E49-K53 PolarHBondContact O-N 2.9Å; E49-M116 HydrophobicContact CG-CE 3.77Å; E49-M116 HydrophobicContact CG-SD 3.79Å; E49-K120 IonicContact OE1-NZ 3.62Å; E49-K120 PolarHBondContact OE1-NZ 3.19Å
50E94.3Very high94.1Very high51 Ų5128.3 Ų28.324%0.23815%0.148CC..Hα-helixtrans-73-38.8176-63.4-54.5123.900112E47 M48 A52 K53 H54E47-E50 PolarHBondContact O-N 3.38Å; M48-E50 VanDerWaalsContact C-N 3.32Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 2.84Å; E50-K53 PolarHBondContact O-N 3.17Å; E50-K53 IonicContact OE1-NZ 3.56Å; E50-K53 PolarHBondContact OE1-NZ 3.28Å; E50-H54 PolarHBondContact O-N 3.2Å; E50-H54 IonicContact OE2-CD2 3.43Å; E50-H54 PolarHBondContact OE2-CD2 3.2Å; E50-H54 IonicContact OE2-NE2 3.64Å
51L94.5Very high93.9Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-55.9-42.5170.8-175.680000111.4E47 M48 K53 G55 V56 P104 L112 Y154 L158 I164E47-L51 PolarHBondContact O-N 3.33Å; M48-L51 PolarHBondContact O-N 2.81Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.19Å; L51-G55 WeakPolarHBondContact CA-O 3.4Å; L51-G55 VanDerWaalsContact O-CA 3.3Å; L51-G55 WeakPolarHBondContact O-CA 3.48Å; L51-G55 PolarHBondContact O-N 3.43Å; L51-V56 HydrophobicContact CD1-CG1 4.14Å; L51-P104 WeakPolarHBondContact O-CD 3.31Å; L51-L112 HydrophobicContact CD2-CD1 4.41Å; L51-Y154 HydrophobicContact CD1-CE2 3.84Å; L51-Y154 HydrophobicContact CD2-CD2 4.19Å; L51-Y154 HydrophobicContact CD2-CE2 3.79Å; L51-Y154 HydrophobicContact CG-CE2 3.86Å; L51-L158 HydrophobicContact CD1-CD2 3.96Å; L51-L158 HydrophobicContact CD2-CD2 4.44Å; L51-I164 HydrophobicContact CB-CD1 3.87Å; L51-I164 HydrophobicContact CD1-CD1 4.35Å; L51-I164 HydrophobicContact CD2-CD1 3.76Å; L51-I164 HydrophobicContact CG-CD1 4.21Å
52A94.8Very high93.6Very high5 Ų532.8 Ų32.84%0.04117%0.172CC..Hα-helixtrans-69.2-30.3-179.800000113.2M48 E49 E50 V109 L112M48-A52 VanDerWaalsContact O-CB 3.31Å; M48-A52 WeakPolarHBondContact O-CB 3.47Å; M48-A52 PolarHBondContact O-N 2.95Å; E49-A52 PolarHBondContact O-N 3.42Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 2.84Å; A52-V109 HydrophobicContact CB-CG1 4.23Å; A52-V109 HydrophobicContact CB-CG2 4.45Å; A52-V109 VanDerWaalsContact O-CG2 3.31Å; A52-V109 WeakPolarHBondContact O-CG2 3.49Å; A52-L112 HydrophobicContact CB-CD1 3.95Å
53K94.3Very high93.4Very high102 Ų10232.7 Ų32.744%0.44317%0.172SC..Hα-helixtrans-86-39.9179.8-69.4174.5-161.8157.60113.5E49 E50 L51 C92 A103E49-K53 WeakPolarHBondContact O-CG 3.44Å; E49-K53 PolarHBondContact O-N 2.9Å; E50-K53 PolarHBondContact O-N 3.17Å; E50-K53 IonicContact OE1-NZ 3.56Å; E50-K53 PolarHBondContact OE1-NZ 3.28Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.19Å; K53-C92 VanDerWaalsContact O-CB 3.25Å; K53-C92 WeakPolarHBondContact O-CB 3.48Å; K53-C92 PolarHBondContact O-SG 2.88Å; K53-A103 VanDerWaalsContact O-CB 3.23Å; K53-A103 WeakPolarHBondContact O-CB 3.5Å
54H94.2Very high93Very high25 Ų2533.4 Ų33.412%0.11619%0.194CC..Hα-helixtrans-127.6-6.4-165-59.9-60000114.2E50 C92 K93 D94 R99 N100 G101 V102E50-H54 PolarHBondContact O-N 3.2Å; E50-H54 IonicContact OE2-CD2 3.43Å; E50-H54 PolarHBondContact OE2-CD2 3.2Å; E50-H54 IonicContact OE2-NE2 3.64Å; H54-C92 PolarHBondContact ND1-O 2.72Å; H54-C92 VanDerWaalsContact ND1-O 3.07Å; H54-K93 PolarHBondContact CE1-O 3.3Å; H54-K93 PolarHBondContact ND1-O 3.2Å; H54-D94 HydrophobicContact CB-CB 4.01Å; H54-R99 HydrophobicContact CB-CB 3.57Å; H54-R99 HydrophobicContact CB-CG 3.98Å; H54-N100 PolarHBondContact O-OD1 3.41Å; H54-G101 CarbonylContact O-C 3.52Å; H54-G101 VanDerWaalsContact O-C 3.27Å; H54-G101 WeakPolarHBondContact O-CA 3.45Å; H54-G101 PolarHBondContact O-N 2.77Å; H54-V102 PolarHBondContact O-N 2.89Å; H54-V102 VanDerWaalsContact O-N 3.13Å
55G93.2Very high92.6Very high0 Ų035.8 Ų35.80%021%0.206CC..  trans87-158.3-179.500000114.2L51 R99 V102L51-G55 WeakPolarHBondContact CA-O 3.4Å; L51-G55 VanDerWaalsContact O-CA 3.3Å; L51-G55 WeakPolarHBondContact O-CA 3.48Å; L51-G55 PolarHBondContact O-N 3.43Å; G55-R99 WeakPolarHBondContact O-CD 3.47Å; G55-R99 PolarHBondContact O-NH1 3.21Å; G55-V102 VanDerWaalsContact CA-O 3.24Å; G55-V102 WeakPolarHBondContact CA-O 3.11Å
56V93.7Very high92.2Very high0 Ų039.3 Ų39.30%023%0.228CC..SBendtrans-72155.8-172.8-60.80000111.8L51 C83 R99 N100 Y154 L158 P159L51-V56 HydrophobicContact CD1-CG1 4.14Å; V56-C83 HydrophobicContact CG1-CB 4.12Å; V56-R99 WeakPolarHBondContact O-CA 3.18Å; V56-N100 WeakPolarHBondContact CG2-ND2 3.04Å; V56-N100 PolarHBondContact N-OD1 2.86Å; V56-N100 PolarHBondContact O-N 2.94Å; V56-N100 PolarHBondContact O-OD1 3.47Å; V56-Y154 HydrophobicContact CG1-CD1 4.15Å; V56-Y154 HydrophobicContact CG1-CE1 3.6Å; V56-L158 HydrophobicContact CG1-CD2 3.9Å; V56-P159 HydrophobicContact CB-CG 4.01Å; V56-P159 HydrophobicContact CG1-CG 4.45Å; V56-P159 HydrophobicContact CG2-CG 4.25Å
57T93.6Very high91.7Very high1 Ų142.5 Ų42.51%0.00624%0.237CC..BIsolated β-bridgetrans-64.9141.7176-48.20000110.7Q63 R98 R99 Y161 D162 P163T57-Q63 VanDerWaalsContact CG2-NE2 3.31Å; T57-R98 HydrophobicContact CG2-CG 4.33Å; T57-R99 PolarHBondContact OG1-NH1 3.47Å; T57-Y161 WeakPolarHBondContact O-CE2 3.41Å; T57-D162 WeakPolarHBondContact CB-OD2 3.21Å; T57-D162 PolarHBondContact N-OD2 3.24Å; T57-D162 VanDerWaalsContact N-OD2 3.13Å; T57-D162 PolarHBondContact OG1-OD2 3.4Å; T57-P163 WeakPolarHBondContact OG1-CD 3.44Å
58L93Very high91.4Very high21 Ų2147.8 Ų47.811%0.1126%0.262CS..PPolyproline II helixtrans-70.7153169.5-76.5168.3000110.6M62 Q63 R98 N100 Y161L58-M62 HydrophobicContact CB-CB 4.35Å; L58-M62 HydrophobicContact CD2-CE 4.33Å; L58-Q63 HydrophobicContact CB-CG 4.05Å; L58-Q63 PolarHBondContact O-NE2 2.92Å; L58-R98 PolarHBondContact N-O 2.95Å; L58-N100 HydrophobicContact CD2-CB 3.69Å; L58-N100 HydrophobicContact CG-CB 4.09Å; L58-Y161 WeakPolarHBondContact O-CE2 3.42Å
59P92.2Very high91.1Very high14 Ų1451.9 Ų51.99%0.09128%0.28CS..PPolyproline II helixtrans-50142.8168.8-28.435.6000112.4N61 M62 Q63 Y161P59-N61 WeakPolarHBondContact CB-OD1 3.27Å; P59-N61 PolarHBondContact O-N 3.01Å; P59-M62 HydrophobicContact CB-CG 4.37Å; P59-M62 HydrophobicContact CB-SD 4.33Å; P59-M62 HydrophobicContact CG-SD 3.92Å; P59-M62 PolarHBondContact O-N 3.12Å; P59-Q63 PolarHBondContact O-N 3.4Å; P59-Y161 WeakPolarHBondContact CD-OH 3.48Å; P59-Y161 HydrophobicContact CG-CE1 4.42Å; P59-Y161 WeakPolarHBondContact CG-OH 3.06Å
60P90.4Very high90.7Very high90 Ų9049.4 Ų49.458%0.58427%0.27SS*.THydrogen-bonded Turntrans-55.5-27.4-177.5-28.535.2000115.2M62P60-M62 VanDerWaalsContact C-N 3.31Å
61N89.9Confident90.4Very high99 Ų9951.6 Ų51.653%0.52929%0.289SS..THydrogen-bonded Turntrans-78.1-9.6176.160.3-32.4000114.2P59 L65 L75P59-N61 WeakPolarHBondContact CB-OD1 3.27Å; P59-N61 PolarHBondContact O-N 3.01Å; N61-L65 WeakPolarHBondContact O-CD1 3.34Å; N61-L75 WeakPolarHBondContact O-CD1 3.33Å
62M89.1Confident90.2Very high9 Ų958 Ų584%0.04432%0.323CS..THydrogen-bonded Turntrans-109.3-17.6178.8-65.5178.76800113.1L58 P59 P60 G64 L65 I70 L75 D77L58-M62 HydrophobicContact CB-CB 4.35Å; L58-M62 HydrophobicContact CD2-CE 4.33Å; P59-M62 HydrophobicContact CB-CG 4.37Å; P59-M62 HydrophobicContact CB-SD 4.33Å; P59-M62 HydrophobicContact CG-SD 3.92Å; P59-M62 PolarHBondContact O-N 3.12Å; P60-M62 VanDerWaalsContact C-N 3.31Å; M62-G64 PolarHBondContact O-N 3.15Å; M62-L65 PolarHBondContact O-N 3.27Å; M62-I70 HydrophobicContact CE-CD1 4.03Å; M62-I70 HydrophobicContact CE-CG1 4.3Å; M62-I70 HydrophobicContact CE-CG2 3.67Å; M62-L75 HydrophobicContact CE-CB 4.35Å; M62-L75 HydrophobicContact CG-CB 3.9Å; M62-L75 HydrophobicContact CG-CD1 3.86Å; M62-L75 HydrophobicContact CG-CG 4.46Å; M62-L75 HydrophobicContact SD-CB 4.08Å; M62-D77 HydrophobicContact CE-CB 4.33Å; M62-D77 HydrophobicContact SD-CB 4.33Å
63Q89.3Confident90.1Very high71 Ų7162.7 Ų62.733%0.33235%0.347SS..THydrogen-bonded Turntrans-63.1131.7-178.1-68.9176.922.900111.6T57 L58 P59 L65T57-Q63 VanDerWaalsContact CG2-NE2 3.31Å; L58-Q63 HydrophobicContact CB-CG 4.05Å; L58-Q63 PolarHBondContact O-NE2 2.92Å; P59-Q63 PolarHBondContact O-N 3.4Å; Q63-L65 PolarHBondContact O-N 3.18Å
64G86.3Confident89.8Confident60 Ų6066.5 Ų66.562%0.61936%0.364SS*.THydrogen-bonded Turntrans73.63.3177.900000115.5M62 G97M62-G64 PolarHBondContact O-N 3.15Å; G64-G97 PolarHBondContact N-O 3.14Å
65L88.4Confident89.6Confident50 Ų5067.5 Ų67.526%0.26237%0.37SS..  trans-83.1148.9169-63.9-178.6000110.5N61 M62 Q63 Q69 I70 L73 L75N61-L65 WeakPolarHBondContact O-CD1 3.34Å; M62-L65 PolarHBondContact O-N 3.27Å; Q63-L65 PolarHBondContact O-N 3.18Å; L65-Q69 HydrophobicContact CB-CB 4.26Å; L65-Q69 HydrophobicContact CD2-CB 4.47Å; L65-I70 HydrophobicContact CB-CD1 4.34Å; L65-I70 HydrophobicContact CB-CG1 3.88Å; L65-I70 HydrophobicContact CD1-CG1 4.42Å; L65-L73 HydrophobicContact CD1-CD1 3.79Å; L65-L75 HydrophobicContact CD1-CD1 3.89Å
66T86.5Confident89.2Confident75 Ų7573.7 Ų73.746%0.4640%0.399SS..  trans-74.6155.417156.60000111.2E68 Q69 I70T66-E68 PolarHBondContact O-N 3.05Å; T66-E68 VanDerWaalsContact O-N 3.16Å; T66-Q69 PolarHBondContact O-N 3.48Å; T66-Q69 VanDerWaalsContact OG1-CD 3.32Å; T66-Q69 VanDerWaalsContact OG1-CG 3.25Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.42Å; T66-Q69 PolarHBondContact OG1-N 3.27Å; T66-Q69 PolarHBondContact OG1-OE1 2.86Å; T66-I70 WeakPolarHBondContact O-CG1 3.34Å; T66-I70 PolarHBondContact O-N 3.18Å
67D83.6Confident88.8Confident102 Ų10275 Ų7555%0.54541%0.406SS..Hα-helixtrans-52.3-37.9176.1-68.5-13.6000111.4I70 C71 K93D67-I70 PolarHBondContact O-N 2.78Å; D67-C71 PolarHBondContact O-N 3.45Å; D67-C71 VanDerWaalsContact O-N 3.11Å; D67-C71 PolarHBondContact O-SG 3.27Å; D67-C71 VanDerWaalsContact O-SG 3.35Å; D67-K93 IonicContact OD2-NZ 3.38Å; D67-K93 PolarHBondContact OD2-NZ 3.33Å
68E88.2Confident88.5Confident153 Ų15382 Ų8272%0.71544%0.438SS*.Hα-helixtrans-64.4-46.8176.4-63.5179.6179.800112.3T66 I70 C71 D72T66-E68 PolarHBondContact O-N 3.05Å; T66-E68 VanDerWaalsContact O-N 3.16Å; E68-I70 VanDerWaalsContact C-N 3.32Å; E68-I70 PolarHBondContact O-N 2.68Å; E68-C71 WeakPolarHBondContact O-CB 3.44Å; E68-C71 PolarHBondContact O-N 2.84Å; E68-D72 PolarHBondContact O-N 2.89Å
69Q88.6Confident88.2Confident85 Ų8584.6 Ų84.640%0.39745%0.447SS..Hα-helixtrans-63.9-37.9177.6-73.6169.1-4500112.1L65 T66 C71 D72 L73L65-Q69 HydrophobicContact CB-CB 4.26Å; L65-Q69 HydrophobicContact CD2-CB 4.47Å; T66-Q69 PolarHBondContact O-N 3.48Å; T66-Q69 VanDerWaalsContact OG1-CD 3.32Å; T66-Q69 VanDerWaalsContact OG1-CG 3.25Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.42Å; T66-Q69 PolarHBondContact OG1-N 3.27Å; T66-Q69 PolarHBondContact OG1-OE1 2.86Å; Q69-C71 VanDerWaalsContact C-N 3.33Å; Q69-D72 PolarHBondContact O-N 2.94Å; Q69-L73 VanDerWaalsContact O-CB 3.26Å; Q69-L73 WeakPolarHBondContact O-CB 3.43Å; Q69-L73 VanDerWaalsContact O-CG 3.22Å; Q69-L73 WeakPolarHBondContact O-CG 3.43Å; Q69-L73 PolarHBondContact O-N 2.98Å
70I87.3Confident87.8Confident25 Ų2584.6 Ų84.613%0.12845%0.449CS..Hα-helixtrans-61.7-44.2176-71.1169.7000110.2M62 L65 T66 D67 E68 K74 L75M62-I70 HydrophobicContact CE-CD1 4.03Å; M62-I70 HydrophobicContact CE-CG1 4.3Å; M62-I70 HydrophobicContact CE-CG2 3.67Å; L65-I70 HydrophobicContact CB-CD1 4.34Å; L65-I70 HydrophobicContact CB-CG1 3.88Å; L65-I70 HydrophobicContact CD1-CG1 4.42Å; T66-I70 WeakPolarHBondContact O-CG1 3.34Å; T66-I70 PolarHBondContact O-N 3.18Å; D67-I70 PolarHBondContact O-N 2.78Å; E68-I70 VanDerWaalsContact C-N 3.32Å; E68-I70 PolarHBondContact O-N 2.68Å; I70-K74 PolarHBondContact O-N 2.79Å; I70-K74 VanDerWaalsContact O-N 3.08Å; I70-L75 HydrophobicContact CG2-CB 4.29Å; I70-L75 PolarHBondContact O-N 2.86Å; I70-L75 VanDerWaalsContact O-N 3.07Å
71C87.4Confident87.4Confident96 Ų9686.9 Ų86.965%0.64945%0.45SS*.Hα-helixtrans-63.8-45.4175.3-70.50000112.5D67 E68 Q69 L73 K74D67-C71 PolarHBondContact O-N 3.45Å; D67-C71 VanDerWaalsContact O-N 3.11Å; D67-C71 PolarHBondContact O-SG 3.27Å; D67-C71 VanDerWaalsContact O-SG 3.35Å; E68-C71 WeakPolarHBondContact O-CB 3.44Å; E68-C71 PolarHBondContact O-N 2.84Å; Q69-C71 VanDerWaalsContact C-N 3.33Å; C71-L73 PolarHBondContact O-N 2.82Å; C71-K74 PolarHBondContact O-N 2.86Å; C71-K74 VanDerWaalsContact O-N 3.11Å
72D91.3Very high87.4Confident134 Ų13487.8 Ų87.872%0.71745%0.449SS*.Hα-helixtrans-64.1-40.2-179.9-77.5-12.1000112.3E68 Q69 K74E68-D72 PolarHBondContact O-N 2.89Å; Q69-D72 PolarHBondContact O-N 2.94Å; D72-K74 PolarHBondContact O-N 2.87Å
73L91.3Very high87.3Confident105 Ų10587.5 Ų87.555%0.5545%0.448SS..THydrogen-bonded Turntrans-78.8-5.7176.9-66.2170.4000113L65 Q69 C71 L75L65-L73 HydrophobicContact CD1-CD1 3.79Å; Q69-L73 VanDerWaalsContact O-CB 3.26Å; Q69-L73 WeakPolarHBondContact O-CB 3.43Å; Q69-L73 VanDerWaalsContact O-CG 3.22Å; Q69-L73 WeakPolarHBondContact O-CG 3.43Å; Q69-L73 PolarHBondContact O-N 2.98Å; C71-L73 PolarHBondContact O-N 2.82Å; L73-L75 HydrophobicContact CB-CD1 4.01Å; L73-L75 HydrophobicContact CB-CG 3.77Å; L73-L75 HydrophobicContact CD1-CD1 4.09Å; L73-L75 PolarHBondContact O-N 3.16Å
74K88.3Confident87.3Confident182 Ų18288 Ų8879%0.79145%0.453SS*.THydrogen-bonded Turntrans53.539.7-177.7-55.4177.8-178.5178.30112.4I70 C71 D72I70-K74 PolarHBondContact O-N 2.79Å; I70-K74 VanDerWaalsContact O-N 3.08Å; C71-K74 PolarHBondContact O-N 2.86Å; C71-K74 VanDerWaalsContact O-N 3.11Å; D72-K74 PolarHBondContact O-N 2.87Å
75L89.2Confident87.5Confident45 Ų4585.3 Ų85.324%0.23642%0.424CS..  trans-82.5134.9177.1-61.3175.5000109.4N61 M62 L65 I70 L73N61-L75 WeakPolarHBondContact O-CD1 3.33Å; M62-L75 HydrophobicContact CE-CB 4.35Å; M62-L75 HydrophobicContact CG-CB 3.9Å; M62-L75 HydrophobicContact CG-CD1 3.86Å; M62-L75 HydrophobicContact CG-CG 4.46Å; M62-L75 HydrophobicContact SD-CB 4.08Å; L65-L75 HydrophobicContact CD1-CD1 3.89Å; I70-L75 HydrophobicContact CG2-CB 4.29Å; I70-L75 PolarHBondContact O-N 2.86Å; I70-L75 VanDerWaalsContact O-N 3.07Å; L73-L75 HydrophobicContact CB-CD1 4.01Å; L73-L75 HydrophobicContact CB-CG 3.77Å; L73-L75 HydrophobicContact CD1-CD1 4.09Å; L73-L75 PolarHBondContact O-N 3.16Å
76E85.4Confident87.5Confident131 Ų13185 Ų8561%0.61243%0.426SS*.  trans-121.1134.9176.6-67.9-166.3-15800110.9E78 K81E76-E78 PolarHBondContact O-N 3.35Å; E76-E78 VanDerWaalsContact O-N 3.12Å; E76-K81 IonicContact OE2-NZ 3.18Å; E76-K81 PolarHBondContact OE2-NZ 3.4Å
77D86.4Confident87.6Confident26 Ų2684.7 Ų84.714%0.13944%0.438CS..  trans-80.589.3171.1-176.410.6000110.3M62 W79 G80M62-D77 HydrophobicContact CE-CB 4.33Å; M62-D77 HydrophobicContact SD-CB 4.33Å; D77-W79 VanDerWaalsContact C-N 3.27Å; D77-W79 PolarHBondContact O-N 3.19Å; D77-W79 PolarHBondContact OD1-N 2.8Å; D77-G80 PolarHBondContact OD1-N 2.85Å; D77-G80 WeakPolarHBondContact OD2-CA 3.26Å; D77-G80 PolarHBondContact OD2-N 2.89Å
78E86.7Confident87.9Confident149 Ų14981.2 Ų81.270%0.69643%0.426SS*.THydrogen-bonded Turntrans-64.1-33.1176.6-62-173.315700112.3E76E76-E78 PolarHBondContact O-N 3.35Å; E76-E78 VanDerWaalsContact O-N 3.12Å
79W86.6Confident88Confident75 Ų7579.9 Ų79.928%0.28442%0.415SS..THydrogen-bonded Turntrans-82.2-33.4-176.3-78.497000112.2D77 K81 K82 C83 P159 P160 Y161D77-W79 VanDerWaalsContact C-N 3.27Å; D77-W79 PolarHBondContact O-N 3.19Å; D77-W79 PolarHBondContact OD1-N 2.8Å; W79-K81 PolarHBondContact O-N 2.81Å; W79-K82 HydrophobicContact CE3-CD 4.06Å; W79-K82 HydrophobicContact CZ3-CD 3.88Å; W79-K82 PolarHBondContact O-N 2.86Å; W79-C83 WeakPolarHBondContact O-CB 3.25Å; W79-C83 PolarHBondContact O-N 2.87Å; W79-P159 HydrophobicContact CB-CB 4.09Å; W79-P159 HydrophobicContact CB-CG 4Å; W79-P159 HydrophobicContact CD2-CB 4.23Å; W79-P159 HydrophobicContact CE3-CB 4.47Å; W79-P159 HydrophobicContact CG-CB 4.07Å; W79-P159 HydrophobicContact CG-CG 4.48Å; W79-P160 VanDerWaalsContact CE2-CD 3.4Å; W79-P160 HydrophobicContact CH2-CG 4.41Å; W79-P160 HydrophobicContact CZ2-CG 3.78Å; W79-Y161 WeakPolarHBondContact CB-OH 3.49Å; W79-Y161 AromaticContact CD1-CE1 3.63Å; W79-Y161 HydrophobicContact CG-CE1 4.19Å
80G83Confident88.1Confident14 Ų1479.6 Ų79.614%0.14442%0.419CS..THydrogen-bonded Turntrans-57.7-34.1173.200000113.2D77 K82D77-G80 PolarHBondContact OD1-N 2.85Å; D77-G80 WeakPolarHBondContact OD2-CA 3.26Å; D77-G80 PolarHBondContact OD2-N 2.89Å; G80-K82 VanDerWaalsContact C-N 3.32Å
81K83.7Confident88.2Confident139 Ų13985.9 Ų85.960%0.60445%0.448SS*.THydrogen-bonded Turntrans-72-25174.7-63.1174.8-171.7167.40113E76 W79 I84E76-K81 IonicContact OE2-NZ 3.18Å; E76-K81 PolarHBondContact OE2-NZ 3.4Å; W79-K81 PolarHBondContact O-N 2.81Å; K81-I84 WeakPolarHBondContact O-CD1 3.22Å
82K88.1Confident88.4Confident117 Ų11783.8 Ų83.851%0.50943%0.434SS..THydrogen-bonded Turntrans-95.8-38.8-175.9-172.6177.5176.7-174.30112.6W79 G80 I84W79-K82 HydrophobicContact CE3-CD 4.06Å; W79-K82 HydrophobicContact CZ3-CD 3.88Å; W79-K82 PolarHBondContact O-N 2.86Å; G80-K82 VanDerWaalsContact C-N 3.32Å; K82-I84 VanDerWaalsContact C-N 3.32Å; K82-I84 PolarHBondContact O-N 2.78Å
83C87.4Confident88.2Confident3 Ų384.5 Ų84.52%0.0243%0.431CS..  trans-92.760.8-176.7-66.50000110.6V56 W79 Y154 G157V56-C83 HydrophobicContact CG1-CB 4.12Å; W79-C83 WeakPolarHBondContact O-CB 3.25Å; W79-C83 PolarHBondContact O-N 2.87Å; C83-Y154 HydrophobicContact CB-CD1 4.48Å; C83-Y154 WeakPolarHBondContact O-CE1 3.4Å; C83-G157 PolarHBondContact SG-O 2.62Å
84I88.7Confident88Confident83 Ų8380.5 Ų80.543%0.42641%0.41SS..PPolyproline II helixtrans-83133.2178-55.8173.8000109K81 K82 Y89K81-I84 WeakPolarHBondContact O-CD1 3.22Å; K82-I84 VanDerWaalsContact C-N 3.32Å; K82-I84 PolarHBondContact O-N 2.78Å; I84-Y89 HydrophobicContact CG2-CD1 4.44Å
85P90.8Very high87.8Confident3 Ų381.3 Ų81.32%0.01942%0.416CS..PPolyproline II helixtrans-64.9147.3174.921.9-27.9000112.3G87 G88 P104 V153 Y154P85-G87 PolarHBondContact O-N 3.47Å; P85-G88 WeakPolarHBondContact CG-O 3.48Å; P85-G88 PolarHBondContact O-N 3.3Å; P85-G88 VanDerWaalsContact O-N 3.15Å; P85-P104 HydrophobicContact CB-CB 3.99Å; P85-P104 HydrophobicContact CB-CG 4.26Å; P85-V153 CarbonylContact C-O 3.37Å; P85-V153 VanDerWaalsContact CA-O 3.28Å; P85-V153 WeakPolarHBondContact CA-O 3.5Å; P85-V153 HydrophobicContact CB-CG1 4.23Å; P85-Y154 HydrophobicContact CB-CD1 4.49Å; P85-Y154 HydrophobicContact CB-CE1 3.94Å; P85-Y154 HydrophobicContact CG-CE1 4.26Å
86S88.7Confident87.5Confident44 Ų4485.4 Ų85.431%0.30844%0.437SS..THydrogen-bonded Turntrans-62.8129.6178.5-174.20000110.7G88 M108 I152 V153S86-G88 VanDerWaalsContact C-N 3.34Å; S86-M108 WeakPolarHBondContact O-CG 3.49Å; S86-I152 WeakPolarHBondContact CB-O 3.45Å; S86-V153 PolarHBondContact N-O 2.93Å
87G87.9Confident87.5Confident68 Ų6880.2 Ų80.270%0.70142%0.418SS*.THydrogen-bonded Turntrans82.45.5-176.100000115.2P85P85-G87 PolarHBondContact O-N 3.47Å
88G90.1Very high87.7Confident29 Ų2983 Ų8330%0.29943%0.427SS..  trans99.1-174.9179.600000112.8P85 S86 T105P85-G88 WeakPolarHBondContact CG-O 3.48Å; P85-G88 PolarHBondContact O-N 3.3Å; P85-G88 VanDerWaalsContact O-N 3.15Å; S86-G88 VanDerWaalsContact C-N 3.34Å; G88-T105 WeakPolarHBondContact O-CG2 3.47Å
89Y90.5Very high88Confident124 Ų12476.2 Ų76.249%0.48640%0.395SS..EExtended strand (participates in β ladder)trans-128.1158.9-174.862.8-92.3000112.5I84 E91 V102 A103I84-Y89 HydrophobicContact CG2-CD1 4.44Å; Y89-E91 HydrophobicContact CD2-CG 4.24Å; Y89-E91 HydrophobicContact CE2-CG 3.98Å; Y89-V102 HydrophobicContact CD1-CG1 3.93Å; Y89-V102 HydrophobicContact CD2-CG1 3.71Å; Y89-V102 HydrophobicContact CE2-CG1 4.45Å; Y89-V102 HydrophobicContact CG-CG1 3.4Å; Y89-V102 VanDerWaalsContact CG-CG1 3.4Å; Y89-A103 CarbonylContact C-O 3.48Å; Y89-A103 WeakPolarHBondContact CA-O 3.3Å; Y89-A103 WeakPolarHBondContact CB-O 3.32Å
90V91.9Very high88.1Confident79 Ų7974.2 Ų74.248%0.47939%0.39SS..EExtended strand (participates in β ladder)trans-116.8130.8169.2-179.10000107.3C92 A103V90-C92 PolarHBondContact O-N 3.03Å; V90-A103 PolarHBondContact N-O 2.99Å; V90-A103 WeakPolarHBondContact O-CB 3.09Å; V90-A103 PolarHBondContact O-N 3.25Å
91E89.5Confident88.5Confident157 Ų15773.8 Ų73.873%0.73439%0.385SS*.EExtended strand (participates in β ladder)trans-73.3115.6176.5-66.8-176176.600110Y89 G101Y89-E91 HydrophobicContact CD2-CG 4.24Å; Y89-E91 HydrophobicContact CE2-CG 3.98Å; E91-G101 WeakPolarHBondContact CA-O 3.37Å
92C90.9Very high88.9Confident52 Ų5268.8 Ų68.835%0.35137%0.367SS..  trans-141.787.9177.5-176.30000108.3K53 H54 V90 G101 A103K53-C92 VanDerWaalsContact O-CB 3.25Å; K53-C92 WeakPolarHBondContact O-CB 3.48Å; K53-C92 PolarHBondContact O-SG 2.88Å; H54-C92 PolarHBondContact ND1-O 2.72Å; H54-C92 VanDerWaalsContact ND1-O 3.07Å; V90-C92 PolarHBondContact O-N 3.03Å; C92-G101 CarbonylContact C-O 3.57Å; C92-G101 PolarHBondContact N-O 3.25Å; C92-G101 VanDerWaalsContact O-CA 3.24Å; C92-G101 WeakPolarHBondContact O-CA 3.46Å; C92-A103 HydrophobicContact CB-CB 4.05Å
93K86.2Confident89.1Confident150 Ų15063.5 Ų63.565%0.65234%0.344SS*.  trans-56.4139.9-176.7-69.1-164.1172.2-160.20111.3H54 D67H54-K93 PolarHBondContact CE1-O 3.3Å; H54-K93 PolarHBondContact ND1-O 3.2Å; D67-K93 IonicContact OD2-NZ 3.38Å; D67-K93 PolarHBondContact OD2-NZ 3.33Å
94D87.2Confident89.4Confident21 Ų2163.5 Ų63.511%0.11234%0.344CS..  trans-83.2123.3171.2179.68.6000109.3H54 I96 G97 R98 R99H54-D94 HydrophobicContact CB-CB 4.01Å; D94-I96 PolarHBondContact O-N 3.28Å; D94-I96 WeakPolarHBondContact OD1-CB 3.29Å; D94-I96 PolarHBondContact OD1-N 3.04Å; D94-G97 PolarHBondContact O-N 3.17Å; D94-R98 WeakPolarHBondContact OD2-CA 3.41Å; D94-R98 WeakPolarHBondContact OD2-CB 3.37Å; D94-R98 PolarHBondContact OD2-N 3.21Å; D94-R99 HydrophobicContact CB-CB 4.06Å; D94-R99 PolarHBondContact OD2-N 3.26Å
95E84Confident89.7Confident198 Ų19861.1 Ų61.193%0.92533%0.334SS*.THydrogen-bonded Turntrans-66.2-26.6178.5-61.9-178.5175.400112.2
96I84.6Confident89.9Confident132 Ų13269.2 Ų69.268%0.67737%0.371SS*.THydrogen-bonded Turntrans-81.9-20.6179.1-58.2172.4000110.8D94 R98D94-I96 PolarHBondContact O-N 3.28Å; D94-I96 WeakPolarHBondContact OD1-CB 3.29Å; D94-I96 PolarHBondContact OD1-N 3.04Å; I96-R98 VanDerWaalsContact C-N 3.33Å; I96-R98 HydrophobicContact CG2-CB 4.27Å
97G85.2Confident90.1Very high21 Ų2175 Ų7522%0.21639%0.391CS..SBendtrans68.529.4-17600000113.5G64 D94G64-G97 PolarHBondContact N-O 3.14Å; D94-G97 PolarHBondContact O-N 3.17Å
98R89.5Confident90.4Very high84 Ų8473.4 Ų73.432%0.31737%0.366SS..  trans-92.6-35.6176.1-174.6-178.4179.7-153-0.7111.4E47 T57 L58 D94 I96E47-R98 IonicContact OE1-CZ 3.48Å; E47-R98 IonicContact OE1-NH1 2.62Å; E47-R98 PolarHBondContact OE1-NH1 2.75Å; E47-R98 IonicContact OE1-NH2 3.36Å; E47-R98 PolarHBondContact OE1-NH2 2.77Å; E47-R98 IonicContact OE2-CZ 3.04Å; E47-R98 IonicContact OE2-NH1 3.69Å; E47-R98 PolarHBondContact OE2-NH1 3.46Å; E47-R98 IonicContact OE2-NH2 3.71Å; T57-R98 HydrophobicContact CG2-CG 4.33Å; L58-R98 PolarHBondContact N-O 2.95Å; D94-R98 WeakPolarHBondContact OD2-CA 3.41Å; D94-R98 WeakPolarHBondContact OD2-CB 3.37Å; D94-R98 PolarHBondContact OD2-N 3.21Å; I96-R98 VanDerWaalsContact C-N 3.33Å; I96-R98 HydrophobicContact CG2-CB 4.27Å
99R92.8Very high90.7Very high7 Ų773 Ų733%0.02636%0.357CS..BIsolated β-bridgetrans-105.4157.8-179.5-56.1-69.2-166.9158.5-17.9110.7E47 H54 G55 V56 T57 D94 G101 D162E47-R99 PolarHBondContact O-NH2 2.88Å; E47-R99 IonicContact OE2-CZ 2.67Å; E47-R99 IonicContact OE2-NH2 3.99Å; E47-R99 PolarHBondContact OE2-NH2 3.37Å; H54-R99 HydrophobicContact CB-CB 3.57Å; H54-R99 HydrophobicContact CB-CG 3.98Å; G55-R99 WeakPolarHBondContact O-CD 3.47Å; G55-R99 PolarHBondContact O-NH1 3.21Å; V56-R99 WeakPolarHBondContact O-CA 3.18Å; T57-R99 PolarHBondContact OG1-NH1 3.47Å; D94-R99 HydrophobicContact CB-CB 4.06Å; D94-R99 PolarHBondContact OD2-N 3.26Å; R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 2.96Å; R99-D162 IonicContact CZ-OD2 3.25Å; R99-D162 IonicContact NH1-OD2 3.4Å; R99-D162 PolarHBondContact NH1-OD2 3.45Å
100N90.1Very high90.9Very high33 Ų3373.4 Ų73.418%0.17636%0.364CS..  trans-77.8-9.5-172.272.3-10.7000115H54 V56 L58 V102H54-N100 PolarHBondContact O-OD1 3.41Å; V56-N100 WeakPolarHBondContact CG2-ND2 3.04Å; V56-N100 PolarHBondContact N-OD1 2.86Å; V56-N100 PolarHBondContact O-N 2.94Å; V56-N100 PolarHBondContact O-OD1 3.47Å; L58-N100 HydrophobicContact CD2-CB 3.69Å; L58-N100 HydrophobicContact CG-CB 4.09Å; N100-V102 VanDerWaalsContact C-N 3.32Å; N100-V102 WeakPolarHBondContact OD1-CB 3.35Å; N100-V102 PolarHBondContact OD1-N 2.89Å
101G90.3Very high91.1Very high5 Ų572 Ų725%0.05236%0.355CS..SBendtrans80.77.6-179.300000114.8H54 E91 C92 R99 A103H54-G101 CarbonylContact O-C 3.52Å; H54-G101 VanDerWaalsContact O-C 3.27Å; H54-G101 WeakPolarHBondContact O-CA 3.45Å; H54-G101 PolarHBondContact O-N 2.77Å; E91-G101 WeakPolarHBondContact CA-O 3.37Å; C92-G101 CarbonylContact C-O 3.57Å; C92-G101 PolarHBondContact N-O 3.25Å; C92-G101 VanDerWaalsContact O-CA 3.24Å; C92-G101 WeakPolarHBondContact O-CA 3.46Å; R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 2.96Å; G101-A103 PolarHBondContact O-N 2.65Å
102V91.6Very high91.4Very high35 Ų3564.5 Ų64.521%0.21232%0.32CS..EExtended strand (participates in β ladder)trans-98.477.4-179.1-1760000108.7H54 G55 Y89 N100H54-V102 PolarHBondContact O-N 2.89Å; H54-V102 VanDerWaalsContact O-N 3.13Å; G55-V102 VanDerWaalsContact CA-O 3.24Å; G55-V102 WeakPolarHBondContact CA-O 3.11Å; Y89-V102 HydrophobicContact CD1-CG1 3.93Å; Y89-V102 HydrophobicContact CD2-CG1 3.71Å; Y89-V102 HydrophobicContact CE2-CG1 4.45Å; Y89-V102 HydrophobicContact CG-CG1 3.4Å; Y89-V102 VanDerWaalsContact CG-CG1 3.4Å; N100-V102 VanDerWaalsContact C-N 3.32Å; N100-V102 WeakPolarHBondContact OD1-CB 3.35Å; N100-V102 PolarHBondContact OD1-N 2.89Å
103A93.4Very high91.6Very high5 Ų567.5 Ų67.54%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-77152-173.600000112.5K53 Y89 V90 C92 G101K53-A103 VanDerWaalsContact O-CB 3.23Å; K53-A103 WeakPolarHBondContact O-CB 3.5Å; Y89-A103 CarbonylContact C-O 3.48Å; Y89-A103 WeakPolarHBondContact CA-O 3.3Å; Y89-A103 WeakPolarHBondContact CB-O 3.32Å; V90-A103 PolarHBondContact N-O 2.99Å; V90-A103 WeakPolarHBondContact O-CB 3.09Å; V90-A103 PolarHBondContact O-N 3.25Å; C92-A103 HydrophobicContact CB-CB 4.05Å; G101-A103 PolarHBondContact O-N 2.65Å
104P94.3Very high92.2Very high3 Ų368.1 Ų68.12%0.01933%0.325CS..EExtended strand (participates in β ladder)trans-62.9159.1172.5-18.730.8000113.1L51 P85 M108 V109 L112 V153 Y154L51-P104 WeakPolarHBondContact O-CD 3.31Å; P85-P104 HydrophobicContact CB-CB 3.99Å; P85-P104 HydrophobicContact CB-CG 4.26Å; P104-M108 HydrophobicContact CB-CB 3.85Å; P104-V109 HydrophobicContact CB-CG2 4.09Å; P104-L112 HydrophobicContact CG-CD1 4.37Å; P104-V153 HydrophobicContact CB-CG1 3.81Å; P104-V153 HydrophobicContact CG-CG1 3.76Å; P104-Y154 HydrophobicContact CG-CE2 4.15Å
105T94.5Very high92.6Very high33 Ų3367.9 Ų67.920%0.20233%0.325CS..PPolyproline II helixtrans-61.5154.9170.559.40000112.2G88 K107 M108 V109G88-T105 WeakPolarHBondContact O-CG2 3.47Å; T105-K107 PolarHBondContact O-N 2.81Å; T105-K107 VanDerWaalsContact O-N 3.12Å; T105-M108 WeakPolarHBondContact O-CA 3.37Å; T105-M108 WeakPolarHBondContact O-CB 3.23Å; T105-M108 PolarHBondContact O-N 3.26Å; T105-V109 WeakPolarHBondContact O-CG2 3.36Å; T105-V109 PolarHBondContact O-N 3.05Å
106E94Very high93.2Very high173 Ų17358.8 Ų58.881%0.80828%0.282SS*.Hα-helixtrans-51.7-39.6-177.9-172.2175.7-162.200113.4M108 V109 E110E106-M108 VanDerWaalsContact C-N 3.35Å; E106-M108 PolarHBondContact O-N 3.1Å; E106-V109 WeakPolarHBondContact O-CB 3.45Å; E106-V109 PolarHBondContact O-N 3.46Å; E106-E110 PolarHBondContact O-N 2.81Å
107K94.1Very high93.8Very high165 Ų16556.6 Ų56.672%0.71727%0.272SS*.Hα-helixtrans-62.4-40.3175.9-65.2-177.5-179.7178.70112.5T105 E110 V111T105-K107 PolarHBondContact O-N 2.81Å; T105-K107 VanDerWaalsContact O-N 3.12Å; K107-E110 PolarHBondContact O-N 3.21Å; K107-V111 WeakPolarHBondContact O-CG2 3.31Å; K107-V111 PolarHBondContact O-N 3.03Å
108M93.8Very high94.3Very high36 Ų3658.6 Ų58.618%0.17728%0.276CS..Hα-helixtrans-75.6-34.5178.6-66.8-58.8173.900111.6S86 P104 T105 E106 E110 V111 L112 I152 V153S86-M108 WeakPolarHBondContact O-CG 3.49Å; P104-M108 HydrophobicContact CB-CB 3.85Å; T105-M108 WeakPolarHBondContact O-CA 3.37Å; T105-M108 WeakPolarHBondContact O-CB 3.23Å; T105-M108 PolarHBondContact O-N 3.26Å; E106-M108 VanDerWaalsContact C-N 3.35Å; E106-M108 PolarHBondContact O-N 3.1Å; M108-E110 VanDerWaalsContact C-N 3.29Å; M108-E110 PolarHBondContact O-N 3.28Å; M108-V111 WeakPolarHBondContact O-CB 3.47Å; M108-V111 PolarHBondContact O-N 3.02Å; M108-L112 PolarHBondContact O-N 3.28Å; M108-I152 HydrophobicContact SD-CG2 4.36Å; M108-V153 HydrophobicContact CB-CG1 4.03Å; M108-V153 HydrophobicContact CB-CG2 3.9Å; M108-V153 HydrophobicContact CG-CG2 4.45Å; M108-V153 HydrophobicContact SD-CG2 4.18Å
109V95.4Very high94.6Very high20 Ų2054.6 Ų54.612%0.12126%0.261CS..Hα-helixtrans-59.9-41.9170.3170.50000110.7A52 P104 T105 E106 V111 L112 K113A52-V109 HydrophobicContact CB-CG1 4.23Å; A52-V109 HydrophobicContact CB-CG2 4.45Å; A52-V109 VanDerWaalsContact O-CG2 3.31Å; A52-V109 WeakPolarHBondContact O-CG2 3.49Å; P104-V109 HydrophobicContact CB-CG2 4.09Å; T105-V109 WeakPolarHBondContact O-CG2 3.36Å; T105-V109 PolarHBondContact O-N 3.05Å; E106-V109 WeakPolarHBondContact O-CB 3.45Å; E106-V109 PolarHBondContact O-N 3.46Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 2.95Å; V109-L112 PolarHBondContact O-N 3.46Å; V109-K113 HydrophobicContact CG1-CD 3.96Å; V109-K113 HydrophobicContact CG1-CG 4.33Å; V109-K113 WeakPolarHBondContact O-CB 3.19Å; V109-K113 WeakPolarHBondContact O-CG 3.15Å; V109-K113 PolarHBondContact O-N 3.4Å
110E95.6Very high94.7Very high132 Ų13257.2 Ų57.262%0.61727%0.272SS*.Hα-helixtrans-61.5-41.6175.2-170.3-178.7-178.100111.9E106 K107 M108 K113 R114E106-E110 PolarHBondContact O-N 2.81Å; K107-E110 PolarHBondContact O-N 3.21Å; M108-E110 VanDerWaalsContact C-N 3.29Å; M108-E110 PolarHBondContact O-N 3.28Å; E110-K113 PolarHBondContact O-N 3.09Å; E110-R114 WeakPolarHBondContact O-CB 3.26Å; E110-R114 PolarHBondContact O-N 3.24Å
111V95.4Very high94.9Very high50 Ų5062 Ų6230%0.30329%0.294SS..Hα-helixtrans-58.8-49174.1173.60000110.9K107 M108 V109 T115 A149K107-V111 WeakPolarHBondContact O-CG2 3.31Å; K107-V111 PolarHBondContact O-N 3.03Å; M108-V111 WeakPolarHBondContact O-CB 3.47Å; M108-V111 PolarHBondContact O-N 3.02Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 2.95Å; V111-T115 WeakPolarHBondContact O-CB 3.45Å; V111-T115 PolarHBondContact O-N 3.24Å; V111-T115 PolarHBondContact O-OG1 2.68Å; V111-T115 VanDerWaalsContact O-OG1 3.12Å; V111-A149 HydrophobicContact CG1-CB 4.47Å
112L95.9Very high95.1Very high0 Ų064.4 Ų64.40%031%0.305CS..Hα-helixtrans-60.6-48.6177.8-66.1171.5000111.5M48 L51 A52 P104 M108 V109 T115 M116 A149 V153M48-L112 HydrophobicContact CE-CB 4.46Å; M48-L112 HydrophobicContact CE-CD2 3.55Å; L51-L112 HydrophobicContact CD2-CD1 4.41Å; A52-L112 HydrophobicContact CB-CD1 3.95Å; P104-L112 HydrophobicContact CG-CD1 4.37Å; M108-L112 PolarHBondContact O-N 3.28Å; V109-L112 PolarHBondContact O-N 3.46Å; L112-T115 PolarHBondContact O-N 3.33Å; L112-M116 WeakPolarHBondContact O-CB 3.35Å; L112-M116 VanDerWaalsContact O-CG 3.25Å; L112-M116 WeakPolarHBondContact O-CG 3.43Å; L112-M116 PolarHBondContact O-N 2.69Å; L112-A149 HydrophobicContact CD2-CB 4.31Å; L112-V153 HydrophobicContact CD1-CG1 4.32Å; L112-V153 HydrophobicContact CD1-CG2 4.2Å; L112-V153 HydrophobicContact CD2-CB 4.39Å; L112-V153 HydrophobicContact CD2-CG2 3.84Å; L112-V153 HydrophobicContact CG-CG2 3.79Å
113K96.8Very high95.2Very high115 Ų11562.8 Ų62.850%0.530%0.295SS..Hα-helixtrans-60.2-48.5-179.5-75.7179.5178.8176.90112V109 E110 T115 M116 D117V109-K113 HydrophobicContact CG1-CD 3.96Å; V109-K113 HydrophobicContact CG1-CG 4.33Å; V109-K113 WeakPolarHBondContact O-CB 3.19Å; V109-K113 WeakPolarHBondContact O-CG 3.15Å; V109-K113 PolarHBondContact O-N 3.4Å; E110-K113 PolarHBondContact O-N 3.09Å; K113-T115 PolarHBondContact O-N 2.73Å; K113-M116 HydrophobicContact CB-CE 4.43Å; K113-M116 HydrophobicContact CG-CE 4.04Å; K113-M116 PolarHBondContact O-N 2.92Å; K113-D117 PolarHBondContact O-N 3.08Å
114R97.1Very high95.1Very high162 Ų16264.2 Ų64.261%0.61131%0.305SS*.Hα-helixtrans-58.8-47.9177.9-179.7178.4172.1177.3-1.4111.4E110 M116 D117 E118E110-R114 WeakPolarHBondContact O-CB 3.26Å; E110-R114 PolarHBondContact O-N 3.24Å; R114-M116 VanDerWaalsContact C-N 3.35Å; R114-M116 PolarHBondContact O-N 3.38Å; R114-D117 PolarHBondContact O-N 3.41Å; R114-E118 HydrophobicContact CG-CG 4.47Å; R114-E118 WeakPolarHBondContact CG-OE1 3.4Å; R114-E118 IonicContact CZ-OE1 3.45Å; R114-E118 IonicContact NE-OE1 2.72Å; R114-E118 PolarHBondContact NE-OE1 3.35Å; R114-E118 IonicContact NH2-OE1 3.84Å; R114-E118 PolarHBondContact NH2-OE1 3.1Å; R114-E118 WeakPolarHBondContact O-CB 3.29Å; R114-E118 WeakPolarHBondContact O-CG 3.5Å; R114-E118 PolarHBondContact O-N 3.47Å
115T96.3Very high95Very high17 Ų1769.5 Ų69.510%0.10432%0.324CS..Hα-helixtrans-66-36.2179.3-64.20000112.5V111 L112 K113 S119 M145 L146 A149V111-T115 WeakPolarHBondContact O-CB 3.45Å; V111-T115 PolarHBondContact O-N 3.24Å; V111-T115 PolarHBondContact O-OG1 2.68Å; V111-T115 VanDerWaalsContact O-OG1 3.12Å; L112-T115 PolarHBondContact O-N 3.33Å; K113-T115 PolarHBondContact O-N 2.73Å; T115-S119 VanDerWaalsContact O-CB 3.26Å; T115-S119 WeakPolarHBondContact O-CB 3.43Å; T115-S119 PolarHBondContact O-N 3.12Å; T115-S119 PolarHBondContact O-OG 3.32Å; T115-M145 HydrophobicContact CG2-CB 4.23Å; T115-M145 HydrophobicContact CG2-CG 3.58Å; T115-M145 WeakPolarHBondContact CG2-O 3.31Å; T115-M145 HydrophobicContact CG2-SD 3.98Å; T115-L146 HydrophobicContact CG2-CD2 4.15Å; T115-A149 HydrophobicContact CG2-CB 3.58Å
116M97Very high94.9Very high6 Ų671.4 Ų71.43%0.0333%0.333CS..Hα-helixtrans-62.7-45.3172.2-74.1-173.4-63.800111.7C45 M48 E49 L112 K113 R114 S119 K120 L146C45-M116 HydrophobicContact CB-CG 4.39Å; C45-M116 HydrophobicContact CB-SD 4.4Å; M48-M116 HydrophobicContact CB-CG 4.15Å; M48-M116 HydrophobicContact CB-SD 3.39Å; M48-M116 WeakPolarHBondContact CB-SD 3.26Å; M48-M116 HydrophobicContact CE-CG 4.02Å; M48-M116 HydrophobicContact SD-CG 4.28Å; E49-M116 HydrophobicContact CG-CE 3.77Å; E49-M116 HydrophobicContact CG-SD 3.79Å; L112-M116 WeakPolarHBondContact O-CB 3.35Å; L112-M116 VanDerWaalsContact O-CG 3.25Å; L112-M116 WeakPolarHBondContact O-CG 3.43Å; L112-M116 PolarHBondContact O-N 2.69Å; K113-M116 HydrophobicContact CB-CE 4.43Å; K113-M116 HydrophobicContact CG-CE 4.04Å; K113-M116 PolarHBondContact O-N 2.92Å; R114-M116 VanDerWaalsContact C-N 3.35Å; R114-M116 PolarHBondContact O-N 3.38Å; M116-S119 PolarHBondContact O-N 3.05Å; M116-K120 WeakPolarHBondContact O-CB 3.48Å; M116-K120 VanDerWaalsContact O-CG 3.29Å; M116-K120 WeakPolarHBondContact O-CG 3.4Å; M116-K120 PolarHBondContact O-N 3.11Å; M116-L146 HydrophobicContact CG-CD2 4.22Å
117D96.8Very high94.7Very high87 Ų8764.3 Ų64.347%0.46530%0.301SS..Hα-helixtrans-65.6-44.4179.3-72.4-24.4000111.7K113 R114 S119 K120 Q121K113-D117 PolarHBondContact O-N 3.08Å; R114-D117 PolarHBondContact O-N 3.41Å; D117-S119 VanDerWaalsContact C-N 3.34Å; D117-S119 PolarHBondContact O-N 2.8Å; D117-K120 PolarHBondContact O-N 2.7Å; D117-Q121 WeakPolarHBondContact O-CB 3.45Å; D117-Q121 VanDerWaalsContact O-CG 3.23Å; D117-Q121 WeakPolarHBondContact O-CG 3.09Å; D117-Q121 PolarHBondContact O-N 3Å
118E96.2Very high94.6Very high62 Ų6257.2 Ų57.229%0.2927%0.272SS..Hα-helixtrans-59.3-44.9174.2-73.4175.9-174.400110.8R114 Q121 L122 M145R114-E118 HydrophobicContact CG-CG 4.47Å; R114-E118 WeakPolarHBondContact CG-OE1 3.4Å; R114-E118 IonicContact CZ-OE1 3.45Å; R114-E118 IonicContact NE-OE1 2.72Å; R114-E118 PolarHBondContact NE-OE1 3.35Å; R114-E118 IonicContact NH2-OE1 3.84Å; R114-E118 PolarHBondContact NH2-OE1 3.1Å; R114-E118 WeakPolarHBondContact O-CB 3.29Å; R114-E118 WeakPolarHBondContact O-CG 3.5Å; R114-E118 PolarHBondContact O-N 3.47Å; E118-Q121 WeakPolarHBondContact O-CB 3.47Å; E118-Q121 PolarHBondContact O-N 3.44Å; E118-L122 WeakPolarHBondContact O-CG 3.21Å; E118-L122 PolarHBondContact O-N 3.44Å; E118-L122 VanDerWaalsContact O-N 3.1Å; E118-M145 HydrophobicContact CB-CE 4.48Å; E118-M145 HydrophobicContact CB-SD 3.79Å
119S95.4Very high94.4Very high0 Ų063.3 Ų63.30%030%0.297CS..Hα-helixtrans-63.5-45.6177.3-60.30000112T115 M116 D117 Q121 L122 I123T115-S119 VanDerWaalsContact O-CB 3.26Å; T115-S119 WeakPolarHBondContact O-CB 3.43Å; T115-S119 PolarHBondContact O-N 3.12Å; T115-S119 PolarHBondContact O-OG 3.32Å; M116-S119 PolarHBondContact O-N 3.05Å; D117-S119 VanDerWaalsContact C-N 3.34Å; D117-S119 PolarHBondContact O-N 2.8Å; S119-Q121 VanDerWaalsContact C-N 3.27Å; S119-Q121 PolarHBondContact O-N 3.38Å; S119-L122 PolarHBondContact O-N 2.86Å; S119-I123 WeakPolarHBondContact O-CG1 3.43Å; S119-I123 PolarHBondContact O-N 3.27Å
120K95.2Very high94.3Very high62 Ų6269.3 Ų69.327%0.2732%0.322SS..Hα-helixtrans-61.9-34.4175.9-74.9174.1-174.4173.80111.9E49 M116 D117 S124E49-K120 IonicContact OE1-NZ 3.62Å; E49-K120 PolarHBondContact OE1-NZ 3.19Å; M116-K120 WeakPolarHBondContact O-CB 3.48Å; M116-K120 VanDerWaalsContact O-CG 3.29Å; M116-K120 WeakPolarHBondContact O-CG 3.4Å; M116-K120 PolarHBondContact O-N 3.11Å; D117-K120 PolarHBondContact O-N 2.7Å; K120-S124 WeakPolarHBondContact O-CA 3.34Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 2.83Å; K120-S124 VanDerWaalsContact O-N 3.08Å
121Q94.6Very high94Very high135 Ų13566.6 Ų66.663%0.63131%0.311SS*.Hα-helixtrans-67.9-39.5176.1-74.4173.627.600112.3D117 E118 S119 I123 S124D117-Q121 WeakPolarHBondContact O-CB 3.45Å; D117-Q121 VanDerWaalsContact O-CG 3.23Å; D117-Q121 WeakPolarHBondContact O-CG 3.09Å; D117-Q121 PolarHBondContact O-N 3Å; E118-Q121 WeakPolarHBondContact O-CB 3.47Å; E118-Q121 PolarHBondContact O-N 3.44Å; S119-Q121 VanDerWaalsContact C-N 3.27Å; S119-Q121 PolarHBondContact O-N 3.38Å; Q121-I123 PolarHBondContact O-N 3.43Å; Q121-S124 PolarHBondContact O-N 3.08Å
122L93.7Very high93.9Very high55 Ų5568 Ų6829%0.28832%0.316SS..Hα-helixtrans-63-28.4177.9-71.6175.8000113.5E118 S119 L127 V138 A142 M145E118-L122 WeakPolarHBondContact O-CG 3.21Å; E118-L122 PolarHBondContact O-N 3.44Å; E118-L122 VanDerWaalsContact O-N 3.1Å; S119-L122 PolarHBondContact O-N 2.86Å; L122-L127 WeakPolarHBondContact O-CD1 3.25Å; L122-V138 HydrophobicContact CB-CG1 4.04Å; L122-A142 HydrophobicContact CD1-CB 4.29Å; L122-M145 HydrophobicContact CD1-CE 3.83Å
123I92.9Very high93.7Very high1 Ų170 Ų701%0.00533%0.33CS..THydrogen-bonded Turntrans-111.713.6-179.763.7166000113.5I38 I41 S119 Q121 I139I38-I123 HydrophobicContact CG1-CB 4.18Å; I38-I123 HydrophobicContact CG1-CG2 4.27Å; I38-I123 HydrophobicContact CG2-CD1 4.13Å; I41-I123 HydrophobicContact CB-CD1 3.68Å; I41-I123 HydrophobicContact CD1-CD1 4.18Å; I41-I123 HydrophobicContact CD1-CG2 3.89Å; I41-I123 HydrophobicContact CG2-CD1 3.36Å; I41-I123 HydrophobicContact CG2-CG1 4.34Å; S119-I123 WeakPolarHBondContact O-CG1 3.43Å; S119-I123 PolarHBondContact O-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.43Å; I123-I139 HydrophobicContact CG2-CD1 3.65Å
124S93Very high93.5Very high35 Ų3564.6 Ų64.625%0.24531%0.307CS..  trans-64139.4-174.4176.70000111.8K120 Q121 D126 L127K120-S124 WeakPolarHBondContact O-CA 3.34Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 2.83Å; K120-S124 VanDerWaalsContact O-N 3.08Å; Q121-S124 PolarHBondContact O-N 3.08Å; S124-D126 PolarHBondContact O-N 2.89Å; S124-D126 VanDerWaalsContact O-N 3.14Å; S124-D126 PolarHBondContact OG-N 3Å; S124-D126 VanDerWaalsContact OG-N 3.17Å; S124-L127 VanDerWaalsContact O-CB 3.26Å; S124-L127 WeakPolarHBondContact O-CB 3.46Å; S124-L127 VanDerWaalsContact O-CG 3.25Å; S124-L127 WeakPolarHBondContact O-CG 3.24Å; S124-L127 PolarHBondContact O-N 3.1Å
125R90.8Very high93.3Very high113 Ų11361.7 Ų61.743%0.42630%0.3SS..THydrogen-bonded Turntrans-60.2-23.2173-59.4179-174.2148.40.2112.4L127 V128R125-L127 PolarHBondContact O-N 2.84Å; R125-V128 WeakPolarHBondContact O-CB 3.26Å; R125-V128 PolarHBondContact O-N 3.14Å
126D92.2Very high93.1Very high73 Ų7366 Ų6639%0.3932%0.317SS..Hα-helixtrans-66.9-18177-67.9-42000113S124 V128 K129 K130S124-D126 PolarHBondContact O-N 2.89Å; S124-D126 VanDerWaalsContact O-N 3.14Å; S124-D126 PolarHBondContact OG-N 3Å; S124-D126 VanDerWaalsContact OG-N 3.17Å; D126-V128 PolarHBondContact O-N 3.33Å; D126-K129 WeakPolarHBondContact O-CB 3.49Å; D126-K129 PolarHBondContact O-N 3.19Å; D126-K129 IonicContact OD1-NZ 2.72Å; D126-K129 PolarHBondContact OD1-NZ 3.44Å; D126-K130 PolarHBondContact O-N 2.93Å
127L91.6Very high93Very high24 Ų2467.9 Ų67.913%0.12633%0.331CS..Hα-helixtrans-59.6-31.9173.4-65.5175.7000111.8L122 S124 R125 K129 K130 D131 I132 I134L122-L127 WeakPolarHBondContact O-CD1 3.25Å; S124-L127 VanDerWaalsContact O-CB 3.26Å; S124-L127 WeakPolarHBondContact O-CB 3.46Å; S124-L127 VanDerWaalsContact O-CG 3.25Å; S124-L127 WeakPolarHBondContact O-CG 3.24Å; S124-L127 PolarHBondContact O-N 3.1Å; R125-L127 PolarHBondContact O-N 2.84Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 2.97Å; L127-K130 CarbonylContact O-C 3.47Å; L127-K130 PolarHBondContact O-N 3.3Å; L127-D131 PolarHBondContact O-N 3.09Å; L127-D131 VanDerWaalsContact O-N 3.15Å; L127-I132 HydrophobicContact CB-CB 4.22Å; L127-I132 HydrophobicContact CD2-CB 4.21Å; L127-I132 HydrophobicContact CD2-CD1 3.81Å; L127-I132 HydrophobicContact CD2-CG2 4.27Å; L127-I132 PolarHBondContact O-N 3.46Å; L127-I134 HydrophobicContact CD1-CD1 3.91Å; L127-I134 HydrophobicContact CD1-CG1 4.12Å
128V90.6Very high92.9Very high17 Ų1765.2 Ų65.210%0.10332%0.318CS..Hα-helixtrans-64.3-38.5175-177.20000111.5V5 A12 R125 D126 K130 D131V5-V128 HydrophobicContact CG1-CG1 3.74Å; V5-V128 HydrophobicContact CG2-CG1 4.29Å; A12-V128 HydrophobicContact CB-CG1 4.12Å; A12-V128 HydrophobicContact CB-CG2 4.45Å; R125-V128 WeakPolarHBondContact O-CB 3.26Å; R125-V128 PolarHBondContact O-N 3.14Å; D126-V128 PolarHBondContact O-N 3.33Å; V128-K130 VanDerWaalsContact C-N 3.28Å; V128-K130 PolarHBondContact O-N 3.02Å; V128-D131 PolarHBondContact O-N 3.43Å
129K90.3Very high92.8Very high164 Ų16462.8 Ų62.871%0.71331%0.307SS*.Hα-helixtrans-69.5-29.4177-60.5174.5-174.7157.40111.8D126 L127 D131D126-K129 WeakPolarHBondContact O-CB 3.49Å; D126-K129 PolarHBondContact O-N 3.19Å; D126-K129 IonicContact OD1-NZ 2.72Å; D126-K129 PolarHBondContact OD1-NZ 3.44Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 2.97Å; K129-D131 VanDerWaalsContact C-N 3.29Å
130K92Very high92.8Very high146 Ų14669.9 Ų69.964%0.63533%0.334SS*.THydrogen-bonded Turntrans-85.83.1176.8-63177.6-176.8177.30113.2D126 L127 V128 I132D126-K130 PolarHBondContact O-N 2.93Å; L127-K130 CarbonylContact O-C 3.47Å; L127-K130 PolarHBondContact O-N 3.3Å; V128-K130 VanDerWaalsContact C-N 3.28Å; V128-K130 PolarHBondContact O-N 3.02Å; K130-I132 VanDerWaalsContact C-N 3.25Å; K130-I132 HydrophobicContact CB-CD1 3.91Å; K130-I132 HydrophobicContact CB-CG1 4.09Å; K130-I132 HydrophobicContact CD-CD1 4.33Å; K130-I132 PolarHBondContact O-N 3.48Å
131D90.3Very high92.8Very high75 Ų7572 Ų7240%0.40134%0.344SS..THydrogen-bonded Turntrans55.836.4-175.7-78.7-72000113.5R3 M15 L127 V128 K129 K215R3-D131 IonicContact NH1-OD1 3.2Å; M15-D131 HydrophobicContact CE-CB 4.43Å; M15-D131 WeakPolarHBondContact CE-O 3.41Å; L127-D131 PolarHBondContact O-N 3.09Å; L127-D131 VanDerWaalsContact O-N 3.15Å; V128-D131 PolarHBondContact O-N 3.43Å; K129-D131 VanDerWaalsContact C-N 3.29Å; D131-K215 IonicContact OD1-NZ 3.54Å; D131-K215 PolarHBondContact OD1-NZ 2.84Å; D131-K215 IonicContact OD2-NZ 2.88Å
132I93.1Very high92.9Very high79 Ų7965.6 Ų65.641%0.40531%0.314SS..  trans-99.9127.4175.1-61.2169.3000109.3L127 K130L127-I132 HydrophobicContact CB-CB 4.22Å; L127-I132 HydrophobicContact CD2-CB 4.21Å; L127-I132 HydrophobicContact CD2-CD1 3.81Å; L127-I132 HydrophobicContact CD2-CG2 4.27Å; L127-I132 PolarHBondContact O-N 3.46Å; K130-I132 VanDerWaalsContact C-N 3.25Å; K130-I132 HydrophobicContact CB-CD1 3.91Å; K130-I132 HydrophobicContact CB-CG1 4.09Å; K130-I132 HydrophobicContact CD-CD1 4.33Å; K130-I132 PolarHBondContact O-N 3.48Å
133S91.5Very high93Very high41 Ų4165 Ų6529%0.28731%0.311SS..  trans-86.5146.8174.646.30000111.8M15 D17M15-S133 CarbonylContact O-C 3.51Å; M15-S133 WeakPolarHBondContact O-CA 3.25Å; M15-S133 WeakPolarHBondContact O-CB 3.36Å; D17-S133 VanDerWaalsContact OD2-CB 3.26Å; D17-S133 WeakPolarHBondContact OD2-CB 3.45Å; D17-S133 PolarHBondContact OD2-OG 3.36Å
134I93.5Very high93.2Very high3 Ų370.3 Ų70.32%0.01534%0.338CS..  trans-105.6131.3178.1-58.3-174.1000108.3F14 M15 I16 I34 L127 V138 I139F14-I134 HydrophobicContact CB-CB 4.44Å; F14-I134 HydrophobicContact CB-CD1 3.71Å; F14-I134 HydrophobicContact CB-CG1 4.24Å; M15-I134 PolarHBondContact O-N 2.85Å; I16-I134 WeakPolarHBondContact CG2-O 3.47Å; I34-I134 HydrophobicContact CG2-CG2 4.22Å; L127-I134 HydrophobicContact CD1-CD1 3.91Å; L127-I134 HydrophobicContact CD1-CG1 4.12Å; I134-V138 HydrophobicContact CG2-CB 4.2Å; I134-V138 HydrophobicContact CG2-CG1 4.47Å; I134-I139 HydrophobicContact CG2-CD1 4.25Å
135E92.5Very high93.3Very high101 Ų10171.1 Ų71.147%0.47234%0.338SS..  trans-105161.3172.1-67.9-170.8161.800111.3S137 V138E135-S137 VanDerWaalsContact CB-OG 3.29Å; E135-S137 WeakPolarHBondContact CB-OG 3.39Å; E135-S137 PolarHBondContact O-N 3.05Å; E135-S137 VanDerWaalsContact O-N 3.15Å; E135-S137 PolarHBondContact OE2-OG 3.17Å; E135-V138 WeakPolarHBondContact O-CB 3.25Å; E135-V138 PolarHBondContact O-N 3.42Å
136K92.3Very high93.6Very high106 Ų10665.7 Ų65.746%0.46132%0.318SS..Hα-helixtrans-54.9-30.6172.4-175177.3-176.3168.20112.8E33 V138 I139 R140E33-K136 IonicContact OE1-NZ 3.71Å; E33-K136 PolarHBondContact OE1-NZ 2.99Å; E33-K136 VanDerWaalsContact OE2-CD 3.31Å; E33-K136 WeakPolarHBondContact OE2-CD 3.45Å; E33-K136 WeakPolarHBondContact OE2-CE 3.26Å; E33-K136 IonicContact OE2-NZ 3.62Å; E33-K136 PolarHBondContact OE2-NZ 3.24Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 3.28Å; K136-I139 PolarHBondContact O-N 3.43Å; K136-R140 PolarHBondContact O-N 3.14Å; K136-R140 VanDerWaalsContact O-N 3.17Å
137S94.3Very high93.8Very high46 Ų4664.7 Ų64.732%0.32231%0.314SS..Hα-helixtrans-58.9-40.7176.152.40000112.4E135 R140 E141E135-S137 VanDerWaalsContact CB-OG 3.29Å; E135-S137 WeakPolarHBondContact CB-OG 3.39Å; E135-S137 PolarHBondContact O-N 3.05Å; E135-S137 VanDerWaalsContact O-N 3.15Å; E135-S137 PolarHBondContact OE2-OG 3.17Å; S137-R140 PolarHBondContact O-N 3.08Å; S137-E141 WeakPolarHBondContact O-CB 3.41Å; S137-E141 PolarHBondContact O-N 3.32Å
138V94.5Very high94Very high32 Ų3265 Ų6519%0.19432%0.323CS..Hα-helixtrans-65.9-40.3180-178.30000111.2L122 I134 E135 K136 E141 A142L122-V138 HydrophobicContact CB-CG1 4.04Å; I134-V138 HydrophobicContact CG2-CB 4.2Å; I134-V138 HydrophobicContact CG2-CG1 4.47Å; E135-V138 WeakPolarHBondContact O-CB 3.25Å; E135-V138 PolarHBondContact O-N 3.42Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 3.28Å; V138-E141 PolarHBondContact O-N 3.14Å; V138-A142 WeakPolarHBondContact O-CB 3.42Å; V138-A142 PolarHBondContact O-N 3.24Å
139I94.9Very high94.2Very high11 Ų1164.3 Ų64.36%0.05632%0.319CS..Hα-helixtrans-63-45.8175.8-57.7-54.9000110.6I34 I38 I41 I123 I134 K136 E141 A142 L143I34-I139 HydrophobicContact CG2-CD1 4.38Å; I34-I139 HydrophobicContact CG2-CG1 4.28Å; I38-I139 HydrophobicContact CD1-CD1 4.44Å; I38-I139 HydrophobicContact CG1-CD1 3.61Å; I41-I139 HydrophobicContact CD1-CD1 4.18Å; I41-I139 HydrophobicContact CD1-CG2 4.02Å; I123-I139 HydrophobicContact CG2-CD1 3.65Å; I134-I139 HydrophobicContact CG2-CD1 4.25Å; K136-I139 PolarHBondContact O-N 3.43Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 2.79Å; I139-A142 PolarHBondContact O-N 2.93Å; I139-L143 HydrophobicContact CG2-CD1 4.28Å; I139-L143 WeakPolarHBondContact O-CG 3.45Å; I139-L143 PolarHBondContact O-N 3.1Å
140R95.4Very high94.5Very high149 Ų14956.9 Ų56.956%0.56229%0.288SS*.Hα-helixtrans-61.3-42.8176.1-178.5-177.961.479.83.3111.3K136 S137 L143 M144K136-R140 PolarHBondContact O-N 3.14Å; K136-R140 VanDerWaalsContact O-N 3.17Å; S137-R140 PolarHBondContact O-N 3.08Å; R140-L143 PolarHBondContact O-N 2.7Å; R140-M144 HydrophobicContact CG-CG 4.44Å; R140-M144 HydrophobicContact CG-SD 4.12Å; R140-M144 PolarHBondContact NH1-SD 3.02Å; R140-M144 WeakPolarHBondContact O-CB 3.44Å; R140-M144 VanDerWaalsContact O-CG 3.25Å; R140-M144 WeakPolarHBondContact O-CG 3.43Å; R140-M144 PolarHBondContact O-N 2.65Å
141E95.8Very high94.6Very high106 Ų10653.8 Ų53.850%0.49528%0.281SS..Hα-helixtrans-61.9-46.6177.6-177.1175.4-175.900111.8S137 V138 I139 L143 M144 M145S137-E141 WeakPolarHBondContact O-CB 3.41Å; S137-E141 PolarHBondContact O-N 3.32Å; V138-E141 PolarHBondContact O-N 3.14Å; I139-E141 VanDerWaalsContact C-N 3.32Å; I139-E141 PolarHBondContact O-N 2.79Å; E141-L143 PolarHBondContact O-N 3.45Å; E141-M144 PolarHBondContact O-N 3.08Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 PolarHBondContact O-N 3.44Å
142A95.7Very high94.9Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-60.9-43.8176.300000111.9I41 L122 V138 I139 M145 L146I41-A142 HydrophobicContact CD1-CB 3.66Å; I41-A142 HydrophobicContact CG1-CB 4.43Å; L122-A142 HydrophobicContact CD1-CB 4.29Å; V138-A142 WeakPolarHBondContact O-CB 3.42Å; V138-A142 PolarHBondContact O-N 3.24Å; I139-A142 PolarHBondContact O-N 2.93Å; A142-M145 WeakPolarHBondContact O-CB 3.26Å; A142-M145 PolarHBondContact O-N 3.12Å; A142-L146 WeakPolarHBondContact O-CG 3.5Å; A142-L146 PolarHBondContact O-N 3.45Å
143L95.9Very high95Very high42 Ų4251.1 Ų51.122%0.2227%0.267CS..Hα-helixtrans-61.6-45.9174.5-72.1172.7000111.8K40 I41 I44 I139 R140 E141 M145 L146 T147K40-L143 HydrophobicContact CG-CD2 4.38Å; I41-L143 HydrophobicContact CD1-CG 4.41Å; I41-L143 HydrophobicContact CG1-CD2 3.7Å; I41-L143 HydrophobicContact CG1-CG 4Å; I44-L143 HydrophobicContact CD1-CD2 3.61Å; I139-L143 HydrophobicContact CG2-CD1 4.28Å; I139-L143 WeakPolarHBondContact O-CG 3.45Å; I139-L143 PolarHBondContact O-N 3.1Å; R140-L143 PolarHBondContact O-N 2.7Å; E141-L143 PolarHBondContact O-N 3.45Å; L143-M145 VanDerWaalsContact C-N 3.28Å; L143-M145 PolarHBondContact O-N 2.68Å; L143-L146 PolarHBondContact O-N 2.8Å; L143-T147 PolarHBondContact O-N 3.37Å; L143-T147 PolarHBondContact O-OG1 3.21Å
144M96.4Very high95.1Very high114 Ų11449.3 Ų49.356%0.56225%0.253SS*.Hα-helixtrans-61.5-37177-74.1-179.970.300112.4R140 E141 G148R140-M144 HydrophobicContact CG-CG 4.44Å; R140-M144 HydrophobicContact CG-SD 4.12Å; R140-M144 PolarHBondContact NH1-SD 3.02Å; R140-M144 WeakPolarHBondContact O-CB 3.44Å; R140-M144 VanDerWaalsContact O-CG 3.25Å; R140-M144 WeakPolarHBondContact O-CG 3.43Å; R140-M144 PolarHBondContact O-N 2.65Å; E141-M144 PolarHBondContact O-N 3.08Å; M144-G148 PolarHBondContact O-N 2.91Å
145M96.2Very high95.1Very high51 Ų5152.7 Ų52.725%0.25128%0.276SS..Hα-helixtrans-62.7-48.3176.1-160.9-167.8-71.400110.8T115 E118 L122 E141 A142 L143 G148 A149T115-M145 HydrophobicContact CG2-CB 4.23Å; T115-M145 HydrophobicContact CG2-CG 3.58Å; T115-M145 WeakPolarHBondContact CG2-O 3.31Å; T115-M145 HydrophobicContact CG2-SD 3.98Å; E118-M145 HydrophobicContact CB-CE 4.48Å; E118-M145 HydrophobicContact CB-SD 3.79Å; L122-M145 HydrophobicContact CD1-CE 3.83Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 PolarHBondContact O-N 3.44Å; A142-M145 WeakPolarHBondContact O-CB 3.26Å; A142-M145 PolarHBondContact O-N 3.12Å; L143-M145 VanDerWaalsContact C-N 3.28Å; L143-M145 PolarHBondContact O-N 2.68Å; M145-G148 PolarHBondContact O-N 3.48Å; M145-A149 PolarHBondContact O-N 3.44Å
146L96.8Very high95Very high0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-62.3-46.3176.8-65.5168.7000111.8I41 I44 M48 T115 M116 A142 L143 G148 A149 V150 F168I41-L146 HydrophobicContact CG2-CD1 4Å; I44-L146 HydrophobicContact CB-CD1 4.35Å; I44-L146 HydrophobicContact CG2-CB 4.38Å; I44-L146 HydrophobicContact CG2-CD1 3.92Å; M48-L146 HydrophobicContact CE-CD2 3.97Å; M48-L146 HydrophobicContact SD-CB 4.12Å; M48-L146 HydrophobicContact SD-CD2 3.57Å; M48-L146 VanDerWaalsContact SD-CD2 3.57Å; M48-L146 HydrophobicContact SD-CG 4.34Å; T115-L146 HydrophobicContact CG2-CD2 4.15Å; M116-L146 HydrophobicContact CG-CD2 4.22Å; A142-L146 WeakPolarHBondContact O-CG 3.5Å; A142-L146 PolarHBondContact O-N 3.45Å; L143-L146 PolarHBondContact O-N 2.8Å; L146-G148 VanDerWaalsContact C-N 3.31Å; L146-G148 PolarHBondContact O-N 2.9Å; L146-A149 PolarHBondContact O-N 3.26Å; L146-V150 WeakPolarHBondContact O-CG2 3.32Å; L146-V150 PolarHBondContact O-N 2.74Å; L146-F168 HydrophobicContact CB-CE1 4.34Å; L146-F168 HydrophobicContact CB-CZ 4.29Å
147T95.9Very high95Very high52 Ų5250.6 Ų50.632%0.31928%0.277SS..Hα-helixtrans-60.3-41.5175.8-54.50000111.5L143 V150 T151 F168L143-T147 PolarHBondContact O-N 3.37Å; L143-T147 PolarHBondContact O-OG1 3.21Å; T147-V150 PolarHBondContact O-N 3.27Å; T147-T151 WeakPolarHBondContact O-CB 3.29Å; T147-T151 PolarHBondContact O-N 3.32Å; T147-T151 PolarHBondContact O-OG1 3.26Å; T147-F168 HydrophobicContact CG2-CD2 4.43Å; T147-F168 HydrophobicContact CG2-CE2 4.41Å; T147-F168 WeakPolarHBondContact OG1-CD1 3.38Å; T147-F168 VanDerWaalsContact OG1-CE1 3.31Å; T147-F168 WeakPolarHBondContact OG1-CE1 3.25Å
148G95.7Very high95Very high30 Ų3049 Ų4931%0.30927%0.265SS..Hα-helixtrans-61.4-46.4176.300000112.2M144 M145 L146 T151 I152M144-G148 PolarHBondContact O-N 2.91Å; M145-G148 PolarHBondContact O-N 3.48Å; L146-G148 VanDerWaalsContact C-N 3.31Å; L146-G148 PolarHBondContact O-N 2.9Å; G148-T151 PolarHBondContact O-N 2.89Å; G148-I152 VanDerWaalsContact O-CG1 3.31Å; G148-I152 WeakPolarHBondContact O-CG1 3.46Å; G148-I152 PolarHBondContact O-N 2.85Å
149A95.8Very high95Very high3 Ų347.4 Ų47.43%0.02526%0.255CS..Hα-helixtrans-62.1-45.5176.900000112.3V111 L112 T115 M145 L146 T151 I152 V153V111-A149 HydrophobicContact CG1-CB 4.47Å; L112-A149 HydrophobicContact CD2-CB 4.31Å; T115-A149 HydrophobicContact CG2-CB 3.58Å; M145-A149 PolarHBondContact O-N 3.44Å; L146-A149 PolarHBondContact O-N 3.26Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 3.45Å; A149-I152 PolarHBondContact O-N 2.92Å; A149-V153 WeakPolarHBondContact O-CG2 3.33Å; A149-V153 PolarHBondContact O-N 3.36Å
150V95.5Very high94.8Very high8 Ų850.1 Ų50.15%0.04827%0.274CS..Hα-helixtrans-60-40.2174.9172.70000111M48 L146 T147 I152 V153 Y154 L158 I164 F168M48-V150 HydrophobicContact CE-CG2 3.87Å; M48-V150 HydrophobicContact CG-CG2 4.35Å; M48-V150 HydrophobicContact SD-CG2 4.07Å; L146-V150 WeakPolarHBondContact O-CG2 3.32Å; L146-V150 PolarHBondContact O-N 2.74Å; T147-V150 PolarHBondContact O-N 3.27Å; V150-I152 PolarHBondContact O-N 2.88Å; V150-V153 PolarHBondContact O-N 2.85Å; V150-Y154 WeakPolarHBondContact O-CA 3.45Å; V150-Y154 PolarHBondContact O-N 3.36Å; V150-L158 HydrophobicContact CG1-CD1 3.54Å; V150-L158 HydrophobicContact CG1-CD2 4.28Å; V150-L158 HydrophobicContact CG1-CG 3.73Å; V150-I164 HydrophobicContact CG2-CG2 4.2Å; V150-F168 HydrophobicContact CB-CE2 4.15Å; V150-F168 HydrophobicContact CG1-CE2 4.31Å; V150-F168 HydrophobicContact CG2-CE2 4.04Å; V150-F168 HydrophobicContact CG2-CZ 4.15Å
151T95.6Very high94.6Very high80 Ų8045.3 Ų45.349%0.49126%0.256SS..Hα-helixtrans-66.4-36.4177.9-54.30000112.5T147 G148 A149 Y154 P155T147-T151 WeakPolarHBondContact O-CB 3.29Å; T147-T151 PolarHBondContact O-N 3.32Å; T147-T151 PolarHBondContact O-OG1 3.26Å; G148-T151 PolarHBondContact O-N 2.89Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 3.45Å; T151-Y154 CarbonylContact O-C 3.53Å; T151-P155 VanDerWaalsContact O-CA 3.28Å; T151-P155 WeakPolarHBondContact O-CA 3.38Å
152I95.3Very high94.5Very high99 Ų9940.3 Ų40.351%0.50823%0.232SC..Hα-helixtrans-65.5-43.5175.9-70.3163.9000110.5S86 M108 G148 A149 V150S86-I152 WeakPolarHBondContact CB-O 3.45Å; M108-I152 HydrophobicContact SD-CG2 4.36Å; G148-I152 VanDerWaalsContact O-CG1 3.31Å; G148-I152 WeakPolarHBondContact O-CG1 3.46Å; G148-I152 PolarHBondContact O-N 2.85Å; A149-I152 PolarHBondContact O-N 2.92Å; V150-I152 PolarHBondContact O-N 2.88Å
153V95.1Very high94.4Very high0 Ų041.5 Ų41.50%024%0.24CC..Hα-helixtrans-76.1-40.5-179.1-178.90000111.6P85 S86 P104 M108 L112 A149 V150 P155P85-V153 CarbonylContact C-O 3.37Å; P85-V153 VanDerWaalsContact CA-O 3.28Å; P85-V153 WeakPolarHBondContact CA-O 3.5Å; P85-V153 HydrophobicContact CB-CG1 4.23Å; S86-V153 PolarHBondContact N-O 2.93Å; P104-V153 HydrophobicContact CB-CG1 3.81Å; P104-V153 HydrophobicContact CG-CG1 3.76Å; M108-V153 HydrophobicContact CB-CG1 4.03Å; M108-V153 HydrophobicContact CB-CG2 3.9Å; M108-V153 HydrophobicContact CG-CG2 4.45Å; M108-V153 HydrophobicContact SD-CG2 4.18Å; L112-V153 HydrophobicContact CD1-CG1 4.32Å; L112-V153 HydrophobicContact CD1-CG2 4.2Å; L112-V153 HydrophobicContact CD2-CB 4.39Å; L112-V153 HydrophobicContact CD2-CG2 3.84Å; L112-V153 HydrophobicContact CG-CG2 3.79Å; A149-V153 WeakPolarHBondContact O-CG2 3.33Å; A149-V153 PolarHBondContact O-N 3.36Å; V150-V153 PolarHBondContact O-N 2.85Å; V153-P155 WeakPolarHBondContact O-CD 3.29Å
154Y94.7Very high94.3Very high3 Ų339.5 Ų39.51%0.01223%0.23CC..  trans-121.681-179.7-68.5-84.2000110.2L51 V56 C83 P85 P104 V150 T151 M156 G157 L158L51-Y154 HydrophobicContact CD1-CE2 3.84Å; L51-Y154 HydrophobicContact CD2-CD2 4.19Å; L51-Y154 HydrophobicContact CD2-CE2 3.79Å; L51-Y154 HydrophobicContact CG-CE2 3.86Å; V56-Y154 HydrophobicContact CG1-CD1 4.15Å; V56-Y154 HydrophobicContact CG1-CE1 3.6Å; C83-Y154 HydrophobicContact CB-CD1 4.48Å; C83-Y154 WeakPolarHBondContact O-CE1 3.4Å; P85-Y154 HydrophobicContact CB-CD1 4.49Å; P85-Y154 HydrophobicContact CB-CE1 3.94Å; P85-Y154 HydrophobicContact CG-CE1 4.26Å; P104-Y154 HydrophobicContact CG-CE2 4.15Å; V150-Y154 WeakPolarHBondContact O-CA 3.45Å; V150-Y154 PolarHBondContact O-N 3.36Å; T151-Y154 CarbonylContact O-C 3.53Å; Y154-M156 PolarHBondContact O-N 3.05Å; Y154-G157 WeakPolarHBondContact O-CA 3.38Å; Y154-G157 PolarHBondContact O-N 3.15Å; Y154-L158 HydrophobicContact CD1-CD2 4.25Å; Y154-L158 HydrophobicContact CD2-CD2 3.71Å; Y154-L158 HydrophobicContact CE2-CD2 4.21Å; Y154-L158 HydrophobicContact CG-CD2 3.73Å
155P92.5Very high94.2Very high74 Ų7437.3 Ų37.348%0.48122%0.217SC..THydrogen-bonded Turntrans-65.7-23.6-175.825.4-34.9000113.6T151 V153 G157T151-P155 VanDerWaalsContact O-CA 3.28Å; T151-P155 WeakPolarHBondContact O-CA 3.38Å; V153-P155 WeakPolarHBondContact O-CD 3.29Å; P155-G157 PolarHBondContact O-N 3.36Å
156M91.2Very high94.1Very high133 Ų13337.1 Ų37.166%0.65522%0.217SC*.THydrogen-bonded Turntrans-85.35.5174.5-61.9-60.9147.800113Y154Y154-M156 PolarHBondContact O-N 3.05Å
157G91.7Very high93.9Very high30 Ų3037.8 Ų37.831%0.30922%0.22SC..  trans80.5177.6-174.900000113.2C83 Y154 P155C83-G157 PolarHBondContact SG-O 2.62Å; Y154-G157 WeakPolarHBondContact O-CA 3.38Å; Y154-G157 PolarHBondContact O-N 3.15Å; P155-G157 PolarHBondContact O-N 3.36Å
158L94.4Very high93.8Very high11 Ų1137.2 Ų37.26%0.05821%0.213CC..  trans-95.9159.3172.7-65.1-179.8000110.3L51 V56 V150 Y154 D162 I164 K165L51-L158 HydrophobicContact CD1-CD2 3.96Å; L51-L158 HydrophobicContact CD2-CD2 4.44Å; V56-L158 HydrophobicContact CG1-CD2 3.9Å; V150-L158 HydrophobicContact CG1-CD1 3.54Å; V150-L158 HydrophobicContact CG1-CD2 4.28Å; V150-L158 HydrophobicContact CG1-CG 3.73Å; Y154-L158 HydrophobicContact CD1-CD2 4.25Å; Y154-L158 HydrophobicContact CD2-CD2 3.71Å; Y154-L158 HydrophobicContact CE2-CD2 4.21Å; Y154-L158 HydrophobicContact CG-CD2 3.73Å; L158-D162 HydrophobicContact CB-CB 4.19Å; L158-I164 HydrophobicContact CD1-CB 3.7Å; L158-I164 HydrophobicContact CD1-CD1 4.23Å; L158-I164 HydrophobicContact CD1-CG2 3.71Å; L158-K165 HydrophobicContact CB-CB 4.2Å
159P94Very high93.6Very high0 Ų039.2 Ų39.20%022%0.217CC..  trans-55.2147.1172.7-20.630.3000111.5V56 W79 Y161 D162V56-P159 HydrophobicContact CB-CG 4.01Å; V56-P159 HydrophobicContact CG1-CG 4.45Å; V56-P159 HydrophobicContact CG2-CG 4.25Å; W79-P159 HydrophobicContact CB-CB 4.09Å; W79-P159 HydrophobicContact CB-CG 4Å; W79-P159 HydrophobicContact CD2-CB 4.23Å; W79-P159 HydrophobicContact CE3-CB 4.47Å; W79-P159 HydrophobicContact CG-CB 4.07Å; W79-P159 HydrophobicContact CG-CG 4.48Å; P159-Y161 HydrophobicContact CB-CD1 4.26Å; P159-Y161 HydrophobicContact CB-CD2 4.13Å; P159-Y161 HydrophobicContact CB-CE1 3.78Å; P159-Y161 HydrophobicContact CB-CE2 3.62Å; P159-Y161 HydrophobicContact CB-CG 4.41Å; P159-Y161 VanDerWaalsContact CB-CZ 3.42Å; P159-Y161 HydrophobicContact CG-CE2 4.25Å; P159-Y161 PolarHBondContact O-N 3.19Å; P159-D162 HydrophobicContact CB-CB 4.41Å; P159-D162 VanDerWaalsContact O-CB 3.27Å; P159-D162 WeakPolarHBondContact O-CB 3.49Å; P159-D162 PolarHBondContact O-N 3.31Å
160P92.2Very high93.3Very high68 Ų6844.8 Ų44.844%0.44225%0.246SC..THydrogen-bonded Turntrans-64.4-25.5-175.825.2-34.4000113.2W79 L166W79-P160 VanDerWaalsContact CE2-CD 3.4Å; W79-P160 HydrophobicContact CH2-CG 4.41Å; W79-P160 HydrophobicContact CZ2-CG 3.78Å; P160-L166 WeakPolarHBondContact O-CD2 3.44Å
161Y91.2Very high93Very high48 Ų4851 Ų5119%0.18828%0.275CS..THydrogen-bonded Turntrans-90.4-0.1176.853.5-101.8000113.1T57 L58 P59 W79 P159T57-Y161 WeakPolarHBondContact O-CE2 3.41Å; L58-Y161 WeakPolarHBondContact O-CE2 3.42Å; P59-Y161 WeakPolarHBondContact CD-OH 3.48Å; P59-Y161 HydrophobicContact CG-CE1 4.42Å; P59-Y161 WeakPolarHBondContact CG-OH 3.06Å; W79-Y161 WeakPolarHBondContact CB-OH 3.49Å; W79-Y161 AromaticContact CD1-CE1 3.63Å; W79-Y161 HydrophobicContact CG-CE1 4.19Å; P159-Y161 HydrophobicContact CB-CD1 4.26Å; P159-Y161 HydrophobicContact CB-CD2 4.13Å; P159-Y161 HydrophobicContact CB-CE1 3.78Å; P159-Y161 HydrophobicContact CB-CE2 3.62Å; P159-Y161 HydrophobicContact CB-CG 4.41Å; P159-Y161 VanDerWaalsContact CB-CZ 3.42Å; P159-Y161 HydrophobicContact CG-CE2 4.25Å; P159-Y161 PolarHBondContact O-N 3.19Å
162D93.5Very high92.4Very high0 Ų049.7 Ų49.70%026%0.263CS..  trans-68.8132.7178.5-168.2-77.2000109.8T57 R99 L158 P159 I164 K165 L166T57-D162 WeakPolarHBondContact CB-OD2 3.21Å; T57-D162 PolarHBondContact N-OD2 3.24Å; T57-D162 VanDerWaalsContact N-OD2 3.13Å; T57-D162 PolarHBondContact OG1-OD2 3.4Å; R99-D162 IonicContact CZ-OD2 3.25Å; R99-D162 IonicContact NH1-OD2 3.4Å; R99-D162 PolarHBondContact NH1-OD2 3.45Å; L158-D162 HydrophobicContact CB-CB 4.19Å; P159-D162 HydrophobicContact CB-CB 4.41Å; P159-D162 VanDerWaalsContact O-CB 3.27Å; P159-D162 WeakPolarHBondContact O-CB 3.49Å; P159-D162 PolarHBondContact O-N 3.31Å; D162-I164 PolarHBondContact O-N 3.33Å; D162-I164 VanDerWaalsContact O-N 3.13Å; D162-I164 WeakPolarHBondContact OD1-CB 3.37Å; D162-I164 PolarHBondContact OD1-N 2.82Å; D162-K165 HydrophobicContact CB-CB 4.31Å; D162-K165 WeakPolarHBondContact O-CB 3.47Å; D162-K165 PolarHBondContact O-N 3.42Å; D162-L166 PolarHBondContact O-N 3.44Å
163P92.8Very high91.9Very high26 Ų2650.8 Ų50.817%0.16927%0.27CS..Hα-helixtrans-53.9-35.9-179.2-26.433.3000113.6E47 T57 K165 E167E47-P163 HydrophobicContact CG-CB 3.97Å; T57-P163 WeakPolarHBondContact OG1-CD 3.44Å; P163-K165 VanDerWaalsContact C-N 3.33Å; P163-E167 WeakPolarHBondContact O-CB 3.43Å; P163-E167 WeakPolarHBondContact O-CG 3.29Å; P163-E167 PolarHBondContact O-N 3.03Å
164I94.6Very high91.4Very high0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-67.1-40.1180-60.5167.6000110.1I44 E47 M48 L51 V150 L158 D162 F168I44-I164 HydrophobicContact CG2-CG2 4.4Å; E47-I164 HydrophobicContact CB-CD1 4.2Å; E47-I164 HydrophobicContact CB-CG1 3.67Å; M48-I164 HydrophobicContact CB-CD1 4.49Å; M48-I164 HydrophobicContact CG-CD1 3.8Å; M48-I164 HydrophobicContact CG-CG1 4.38Å; L51-I164 HydrophobicContact CB-CD1 3.87Å; L51-I164 HydrophobicContact CD1-CD1 4.35Å; L51-I164 HydrophobicContact CD2-CD1 3.76Å; L51-I164 HydrophobicContact CG-CD1 4.21Å; V150-I164 HydrophobicContact CG2-CG2 4.2Å; L158-I164 HydrophobicContact CD1-CB 3.7Å; L158-I164 HydrophobicContact CD1-CD1 4.23Å; L158-I164 HydrophobicContact CD1-CG2 3.71Å; D162-I164 PolarHBondContact O-N 3.33Å; D162-I164 VanDerWaalsContact O-N 3.13Å; D162-I164 WeakPolarHBondContact OD1-CB 3.37Å; D162-I164 PolarHBondContact OD1-N 2.82Å; I164-F168 HydrophobicContact CG2-CD2 3.99Å; I164-F168 HydrophobicContact CG2-CE2 3.41Å; I164-F168 VanDerWaalsContact CG2-CE2 3.41Å; I164-F168 HydrophobicContact CG2-CZ 3.7Å; I164-F168 WeakPolarHBondContact O-CD2 3.41Å; I164-F168 VanDerWaalsContact O-CG 3.31Å; I164-F168 WeakPolarHBondContact O-CG 3.31Å; I164-F168 PolarHBondContact O-N 3.3Å
165K93.5Very high90.8Very high67 Ų6756 Ų5629%0.29130%0.304SS..Hα-helixtrans-68.3-45.9178.9-17653.4174.5140.70111.2L158 D162 P163 E167 F168 D169L158-K165 HydrophobicContact CB-CB 4.2Å; D162-K165 HydrophobicContact CB-CB 4.31Å; D162-K165 WeakPolarHBondContact O-CB 3.47Å; D162-K165 PolarHBondContact O-N 3.42Å; P163-K165 VanDerWaalsContact C-N 3.33Å; K165-E167 VanDerWaalsContact C-N 3.31Å; K165-E167 PolarHBondContact O-N 3.15Å; K165-F168 PolarHBondContact O-N 2.94Å; K165-F168 VanDerWaalsContact O-N 3.13Å; K165-D169 WeakPolarHBondContact CD-OD2 3.41Å; K165-D169 WeakPolarHBondContact CE-OD2 3.45Å; K165-D169 IonicContact NZ-OD1 2.88Å; K165-D169 PolarHBondContact NZ-OD1 2.94Å; K165-D169 IonicContact NZ-OD2 2.72Å; K165-D169 PolarHBondContact NZ-OD2 3.42Å; K165-D169 PolarHBondContact O-N 3.26Å
166L94.4Very high90.2Very high47 Ų4756.7 Ų56.725%0.24633%0.325CS..Hα-helixtrans-58.4-43.5175.8-68.3170.9000111.6P160 D162 D169 N170 E171 E172P160-L166 WeakPolarHBondContact O-CD2 3.44Å; D162-L166 PolarHBondContact O-N 3.44Å; L166-D169 PolarHBondContact O-N 3.35Å; L166-N170 PolarHBondContact O-N 2.9Å; L166-E171 HydrophobicContact CD2-CB 4.14Å; L166-E171 PolarHBondContact O-N 3.29Å; L166-E172 PolarHBondContact O-N 3.25Å
167E93.5Very high89.8Confident15 Ų1553.1 Ų53.17%0.0731%0.311CS..Hα-helixtrans-62.8-44.3174.4-71.9-78.7-179.800111.3K40 R43 I44 P163 K165 D169 N170 E172K40-E167 WeakPolarHBondContact CE-O 3.43Å; K40-E167 VanDerWaalsContact CE-OE2 3.23Å; K40-E167 WeakPolarHBondContact CE-OE2 3.31Å; K40-E167 WeakPolarHBondContact CG-OE2 3.49Å; K40-E167 PolarHBondContact NZ-O 3.14Å; K40-E167 IonicContact NZ-OE2 2.75Å; R43-E167 IonicContact CZ-OE1 2.84Å; R43-E167 IonicContact CZ-OE2 2.99Å; R43-E167 IonicContact NE-OE1 3.64Å; R43-E167 PolarHBondContact NE-OE1 3.42Å; R43-E167 IonicContact NE-OE2 3.01Å; R43-E167 IonicContact NH2-OE1 2.99Å; R43-E167 PolarHBondContact NH2-OE1 2.94Å; R43-E167 IonicContact NH2-OE2 2.77Å; R43-E167 PolarHBondContact NH2-OE2 3.31Å; I44-E167 HydrophobicContact CD1-CB 4.08Å; I44-E167 HydrophobicContact CG1-CB 3.75Å; I44-E167 HydrophobicContact CG1-CG 4.18Å; P163-E167 WeakPolarHBondContact O-CB 3.43Å; P163-E167 WeakPolarHBondContact O-CG 3.29Å; P163-E167 PolarHBondContact O-N 3.03Å; K165-E167 VanDerWaalsContact C-N 3.31Å; K165-E167 PolarHBondContact O-N 3.15Å; E167-D169 VanDerWaalsContact C-N 3.28Å; E167-D169 PolarHBondContact O-N 3.38Å; E167-N170 PolarHBondContact O-N 3.23Å; E167-E172 HydrophobicContact CG-CB 4.18Å
168F92.8Very high89.3Confident39 Ų3958.1 Ų58.117%0.17133%0.326CS..Hα-helixtrans-62.4-35.3176.9-68.1-30.5000113.4I44 L146 T147 V150 I164 K165 N170I44-F168 HydrophobicContact CD1-CD1 4.08Å; I44-F168 HydrophobicContact CD1-CE1 3.88Å; I44-F168 HydrophobicContact CG1-CE1 4.5Å; I44-F168 HydrophobicContact CG2-CE1 4.01Å; I44-F168 HydrophobicContact CG2-CZ 4.16Å; L146-F168 HydrophobicContact CB-CE1 4.34Å; L146-F168 HydrophobicContact CB-CZ 4.29Å; T147-F168 HydrophobicContact CG2-CD2 4.43Å; T147-F168 HydrophobicContact CG2-CE2 4.41Å; T147-F168 WeakPolarHBondContact OG1-CD1 3.38Å; T147-F168 VanDerWaalsContact OG1-CE1 3.31Å; T147-F168 WeakPolarHBondContact OG1-CE1 3.25Å; V150-F168 HydrophobicContact CB-CE2 4.15Å; V150-F168 HydrophobicContact CG1-CE2 4.31Å; V150-F168 HydrophobicContact CG2-CE2 4.04Å; V150-F168 HydrophobicContact CG2-CZ 4.15Å; I164-F168 HydrophobicContact CG2-CD2 3.99Å; I164-F168 HydrophobicContact CG2-CE2 3.41Å; I164-F168 VanDerWaalsContact CG2-CE2 3.41Å; I164-F168 HydrophobicContact CG2-CZ 3.7Å; I164-F168 WeakPolarHBondContact O-CD2 3.41Å; I164-F168 VanDerWaalsContact O-CG 3.31Å; I164-F168 WeakPolarHBondContact O-CG 3.31Å; I164-F168 PolarHBondContact O-N 3.3Å; K165-F168 PolarHBondContact O-N 2.94Å; K165-F168 VanDerWaalsContact O-N 3.13Å; F168-N170 VanDerWaalsContact C-N 3.3Å
169D92.4Very high88.6Confident73 Ų7358.4 Ų58.439%0.3933%0.33SS..Hα-helixtrans-84.1-4.5-178.9-64.2-19000113K165 L166 E167 E171K165-D169 WeakPolarHBondContact CD-OD2 3.41Å; K165-D169 WeakPolarHBondContact CE-OD2 3.45Å; K165-D169 IonicContact NZ-OD1 2.88Å; K165-D169 PolarHBondContact NZ-OD1 2.94Å; K165-D169 IonicContact NZ-OD2 2.72Å; K165-D169 PolarHBondContact NZ-OD2 3.42Å; K165-D169 PolarHBondContact O-N 3.26Å; L166-D169 PolarHBondContact O-N 3.35Å; E167-D169 VanDerWaalsContact C-N 3.28Å; E167-D169 PolarHBondContact O-N 3.38Å; D169-E171 HydrophobicContact CB-CG 4.32Å
170N89.2Confident88Confident119 Ų11960.7 Ų60.764%0.63635%0.346SS*.THydrogen-bonded Turntrans62.129.2-173.3-51.3-77.6000113.9K40 L166 E167 F168 E172K40-N170 PolarHBondContact NZ-OD1 3.34Å; L166-N170 PolarHBondContact O-N 2.9Å; E167-N170 PolarHBondContact O-N 3.23Å; F168-N170 VanDerWaalsContact C-N 3.3Å; N170-E172 VanDerWaalsContact C-OE2 3.29Å; N170-E172 WeakPolarHBondContact CA-OE2 3.43Å
171E88.4Confident87.6Confident140 Ų14064.4 Ų64.465%0.65436%0.357SS*.  trans-106.821.1177-61.7-172.4165.800111.2L166 D169 D173L166-E171 HydrophobicContact CD2-CB 4.14Å; L166-E171 PolarHBondContact O-N 3.29Å; D169-E171 HydrophobicContact CB-CG 4.32Å; E171-D173 PolarHBondContact O-N 3.07Å
172E83.8Confident87.3Confident52 Ų5265.3 Ų65.324%0.24336%0.363CS..  trans-63.6126178.366.7-87.3-161.500112.2K40 R43 L166 E167 N170 L174K40-E172 VanDerWaalsContact NZ-CD 3.34Å; K40-E172 IonicContact NZ-OE1 2.9Å; K40-E172 PolarHBondContact NZ-OE1 3.11Å; K40-E172 IonicContact NZ-OE2 2.95Å; K40-E172 PolarHBondContact NZ-OE2 3.37Å; R43-E172 IonicContact NH2-OE1 3.93Å; L166-E172 PolarHBondContact O-N 3.25Å; E167-E172 HydrophobicContact CG-CB 4.18Å; N170-E172 VanDerWaalsContact C-OE2 3.29Å; N170-E172 WeakPolarHBondContact CA-OE2 3.43Å; E172-L174 HydrophobicContact CB-CD2 4.35Å; E172-L174 HydrophobicContact CB-CG 4.48Å; E172-L174 HydrophobicContact CG-CD1 4.16Å; E172-L174 HydrophobicContact CG-CD2 4.02Å; E172-L174 HydrophobicContact CG-CG 3.83Å; E172-L174 PolarHBondContact O-N 3.45Å
173D84.7Confident87.1Confident122 Ų12267.2 Ų67.265%0.65238%0.375SS*.  trans-89.4101.8164.8-17412.3000109.6E171 S175E171-D173 PolarHBondContact O-N 3.07Å; D173-S175 VanDerWaalsContact C-N 3.29Å; D173-S175 VanDerWaalsContact CG-OG 3.26Å; D173-S175 WeakPolarHBondContact OD1-CB 3.23Å; D173-S175 PolarHBondContact OD1-N 3.25Å; D173-S175 PolarHBondContact OD1-OG 3.37Å; D173-S175 PolarHBondContact OD2-OG 3.01Å
174L83.4Confident86.9Confident31 Ų3166.2 Ų66.216%0.16237%0.368CS..  trans-85.7-1.6175.4-59.2178.2000112.4E172 G176 T177 A179 S180 V183E172-L174 HydrophobicContact CB-CD2 4.35Å; E172-L174 HydrophobicContact CB-CG 4.48Å; E172-L174 HydrophobicContact CG-CD1 4.16Å; E172-L174 HydrophobicContact CG-CD2 4.02Å; E172-L174 HydrophobicContact CG-CG 3.83Å; E172-L174 PolarHBondContact O-N 3.45Å; L174-G176 PolarHBondContact O-N 2.72Å; L174-T177 WeakPolarHBondContact O-CB 3.39Å; L174-T177 PolarHBondContact O-N 2.95Å; L174-T177 VanDerWaalsContact O-N 3.08Å; L174-T177 PolarHBondContact O-OG1 2.86Å; L174-A179 HydrophobicContact CD2-CB 4.22Å; L174-S180 VanDerWaalsContact O-CB 3.25Å; L174-S180 WeakPolarHBondContact O-CB 3.38Å; L174-V183 HydrophobicContact CD1-CG2 3.81Å
175S83.1Confident86.5Confident80 Ų8069.5 Ų69.556%0.55939%0.388SS*.THydrogen-bonded Turntrans-56.2136.8-176.376.50000112D173 T177D173-S175 VanDerWaalsContact C-N 3.29Å; D173-S175 VanDerWaalsContact CG-OG 3.26Å; D173-S175 WeakPolarHBondContact OD1-CB 3.23Å; D173-S175 PolarHBondContact OD1-N 3.25Å; D173-S175 PolarHBondContact OD1-OG 3.37Å; D173-S175 PolarHBondContact OD2-OG 3.01Å; S175-T177 PolarHBondContact O-N 3.19Å
176G80.1Confident86.2Confident90 Ų9068 Ų6893%0.92839%0.388SS*.THydrogen-bonded Turntrans72.2-10.4-177.500000116.1L174L174-G176 PolarHBondContact O-N 2.72Å
177T82.6Confident85.9Confident58 Ų5870.9 Ų70.936%0.35640%0.403SS..SBendtrans-83.5156.8177.973.10000112.1L174 S175 A179 S180L174-T177 WeakPolarHBondContact O-CB 3.39Å; L174-T177 PolarHBondContact O-N 2.95Å; L174-T177 VanDerWaalsContact O-N 3.08Å; L174-T177 PolarHBondContact O-OG1 2.86Å; S175-T177 PolarHBondContact O-N 3.19Å; T177-A179 PolarHBondContact O-N 2.97Å; T177-A179 PolarHBondContact OG1-N 3.2Å; T177-S180 PolarHBondContact O-N 2.84Å; T177-S180 PolarHBondContact O-OG 2.95Å; T177-S180 PolarHBondContact OG1-N 2.86Å
178H81.1Confident85.6Confident134 Ų13473.5 Ų73.562%0.6242%0.418SS*.Hα-helixtrans-58.1-33.8170.8-17266.7000111.9S180 Q181H178-S180 VanDerWaalsContact C-N 3.28Å; H178-S180 PolarHBondContact O-N 2.88Å; H178-Q181 WeakPolarHBondContact O-CB 3.44Å; H178-Q181 PolarHBondContact O-N 2.91Å; H178-Q181 VanDerWaalsContact O-N 3.09Å
179A80.5Confident85.5Confident18 Ų1871.8 Ų71.815%0.14941%0.411CS..Hα-helixtrans-61.2-32.3179.200000113.3L174 T177 Q181 E182 V183L174-A179 HydrophobicContact CD2-CB 4.22Å; T177-A179 PolarHBondContact O-N 2.97Å; T177-A179 PolarHBondContact OG1-N 3.2Å; A179-Q181 PolarHBondContact O-N 3.36Å; A179-E182 PolarHBondContact O-N 2.9Å; A179-V183 WeakPolarHBondContact O-CG2 3.25Å; A179-V183 PolarHBondContact O-N 3.18Å; A179-V183 VanDerWaalsContact O-N 3.14Å
180S81.4Confident85.5Confident47 Ų4768.5 Ų68.533%0.32939%0.394SS..Hα-helixtrans-60.2-30175.864.60000113.7L174 T177 H178 E182L174-S180 VanDerWaalsContact O-CB 3.25Å; L174-S180 WeakPolarHBondContact O-CB 3.38Å; T177-S180 PolarHBondContact O-N 2.84Å; T177-S180 PolarHBondContact O-OG 2.95Å; T177-S180 PolarHBondContact OG1-N 2.86Å; H178-S180 VanDerWaalsContact C-N 3.28Å; H178-S180 PolarHBondContact O-N 2.88Å; S180-E182 VanDerWaalsContact C-N 3.29Å
181Q83.1Confident85.6Confident146 Ų14662.9 Ų62.968%0.68236%0.364SS*.Hα-helixtrans-76.1-24.3178.2-59.1-176-5.300111.4H178 A179H178-Q181 WeakPolarHBondContact O-CB 3.44Å; H178-Q181 PolarHBondContact O-N 2.91Å; H178-Q181 VanDerWaalsContact O-N 3.09Å; A179-Q181 PolarHBondContact O-N 3.36Å
182E85.2Confident85.8Confident67 Ų6757.7 Ų57.731%0.31334%0.338SS..Hα-helixtrans-84.9-37.9-178-62.1-161.3134.800113K8 Y35 L39 A179 S180K8-E182 PolarHBondContact NZ-O 2.72Å; Y35-E182 WeakPolarHBondContact CE1-O 3.33Å; Y35-E182 PolarHBondContact OH-O 3.44Å; L39-E182 HydrophobicContact CD1-CB 3.82Å; A179-E182 PolarHBondContact O-N 2.9Å; S180-E182 VanDerWaalsContact C-N 3.29Å
183V88.7Confident86.1Confident40 Ų4057.3 Ų57.324%0.24234%0.336CS..  trans-63.8132.5-177.6173.50000111.2L39 L174 A179L39-V183 HydrophobicContact CD1-CG2 4.21Å; L174-V183 HydrophobicContact CD1-CG2 3.81Å; A179-V183 WeakPolarHBondContact O-CG2 3.25Å; A179-V183 PolarHBondContact O-N 3.18Å; A179-V183 VanDerWaalsContact O-N 3.14Å
184I87.6Confident86.2Confident6 Ų656.5 Ų56.53%0.03134%0.34CS..  trans-122.1112.6179-59.1173.3000108.1Y35 N36 A189 L220Y35-I184 HydrophobicContact CE1-CD1 4.21Å; Y35-I184 HydrophobicContact CE1-CG1 4.28Å; N36-I184 PolarHBondContact ND2-O 3.47Å; N36-I184 PolarHBondContact OD1-N 2.86Å; N36-I184 VanDerWaalsContact OD1-N 3.14Å; N36-I184 PolarHBondContact OD1-O 2.86Å; I184-A189 HydrophobicContact CG2-CB 3.64Å; I184-L220 HydrophobicContact CD1-CD2 3.94Å; I184-L220 HydrophobicContact CD1-CG 3.86Å
185T87.7Confident86.3Confident68 Ų6857.9 Ų57.942%0.41736%0.362SS..  trans-69.7147.817261.20000110.1D187 N188 A189T185-D187 PolarHBondContact O-N 2.95Å; T185-D187 VanDerWaalsContact O-N 3.1Å; T185-N188 CarbonylContact O-C 3.55Å; T185-N188 PolarHBondContact O-N 3.32Å; T185-N188 PolarHBondContact OG1-ND2 3.46Å; T185-N188 VanDerWaalsContact OG1-ND2 3.12Å; T185-A189 PolarHBondContact O-N 3.48Å; T185-A189 VanDerWaalsContact O-N 3.08Å
186A86.2Confident86.6Confident35 Ų3561.1 Ų61.129%0.28937%0.365SS..G310 helixtrans-51.9-38179.700000111.7C32 N188 A189 R200C32-A186 HydrophobicContact CB-CB 4.42Å; A186-N188 PolarHBondContact O-N 2.8Å; A186-A189 WeakPolarHBondContact O-CB 3.24Å; A186-A189 PolarHBondContact O-N 3.33Å; A186-R200 PolarHBondContact O-NH2 2.91Å
187D87.4Confident87.1Confident108 Ų10859.8 Ų59.858%0.57834%0.335SS*.G310 helixtrans-66.7-33177.8-67-41.2000114.8T185 R200 R223T185-D187 PolarHBondContact O-N 2.95Å; T185-D187 VanDerWaalsContact O-N 3.1Å; D187-R200 PolarHBondContact O-NH2 3.12Å; D187-R200 IonicContact OD1-NH1 3.95Å; D187-R223 VanDerWaalsContact O-CZ 3.27Å; D187-R223 PolarHBondContact O-NH2 3.36Å
188N89.1Confident87.5Confident71 Ų7157.1 Ų57.138%0.3832%0.319SS..G310 helixtrans-99.214.5179-66.6-44.5000112.7T185 A186 K222 R223T185-N188 CarbonylContact O-C 3.55Å; T185-N188 PolarHBondContact O-N 3.32Å; T185-N188 PolarHBondContact OG1-ND2 3.46Å; T185-N188 VanDerWaalsContact OG1-ND2 3.12Å; A186-N188 PolarHBondContact O-N 2.8Å; N188-K222 HydrophobicContact CB-CG 4.47Å; N188-K222 CarbonylContact O-C 3.27Å; N188-K222 WeakPolarHBondContact O-CA 3.47Å; N188-R223 PolarHBondContact O-N 2.67Å
189A90.6Very high87.9Confident2 Ų255.2 Ų55.22%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-92137.7176.500000112.2L28 C32 I184 T185 A186 R200 L220L28-A189 HydrophobicContact CD2-CB 4.12Å; C32-A189 WeakPolarHBondContact SG-CB 3.3Å; I184-A189 HydrophobicContact CG2-CB 3.64Å; T185-A189 PolarHBondContact O-N 3.48Å; T185-A189 VanDerWaalsContact O-N 3.08Å; A186-A189 WeakPolarHBondContact O-CB 3.24Å; A186-A189 PolarHBondContact O-N 3.33Å; A189-R200 PolarHBondContact O-NH2 2.9Å; A189-L220 HydrophobicContact CB-CD1 4.2Å
190S91Very high88.3Confident5 Ų558 Ų584%0.03532%0.316CS..EExtended strand (participates in β ladder)trans-127.9139.3164.954.40000110.2W192 E197 T221S190-W192 PolarHBondContact OG-NE1 3.3Å; S190-E197 VanDerWaalsContact CB-OE1 3.31Å; S190-E197 WeakPolarHBondContact CB-OE1 3.44Å; S190-T221 PolarHBondContact N-O 2.92Å; S190-T221 PolarHBondContact O-N 3.35Å; S190-T221 PolarHBondContact O-OG1 3.46Å; S190-T221 PolarHBondContact OG-O 3.12Å; S190-T221 PolarHBondContact OG-OG1 2.9Å
191L92.5Very high88.6Confident0 Ų059.1 Ų59.10%034%0.336CS..EExtended strand (participates in β ladder)trans-117.4129.6-177.7-169.366.5000109.2L27 L28 I31 M198 A218 L220L27-L191 HydrophobicContact CD2-CD2 4.1Å; L27-L191 HydrophobicContact CG-CD2 4.42Å; L28-L191 HydrophobicContact CD2-CB 3.55Å; L28-L191 HydrophobicContact CG-CB 4.4Å; I31-L191 HydrophobicContact CD1-CD1 4.18Å; I31-L191 HydrophobicContact CD1-CD2 3.52Å; L191-M198 HydrophobicContact CB-CE 3.93Å; L191-M198 HydrophobicContact CD2-CE 3.22Å; L191-M198 HydrophobicContact CG-CE 3.29Å; L191-M198 WeakPolarHBondContact O-CB 3.47Å; L191-M198 PolarHBondContact O-N 3.45Å; L191-A218 HydrophobicContact CD1-CB 3.66Å; L191-A218 HydrophobicContact CD2-CB 4.28Å; L191-A218 HydrophobicContact CG-CB 3.93Å; L191-L220 HydrophobicContact CD1-CB 4.43Å
192W92.5Very high89.1Confident31 Ų3156.6 Ų56.612%0.11732%0.323CS..EExtended strand (participates in β ladder)trans-116.1131.2-173.9-64.978.7000111S190 K196 E197 A218 K219 T221 A227 P228S190-W192 PolarHBondContact OG-NE1 3.3Å; W192-K196 CarbonylContact C-O 3.49Å; W192-K196 WeakPolarHBondContact CA-O 3.31Å; W192-E197 HydrophobicContact CD2-CB 4.1Å; W192-E197 HydrophobicContact CE3-CB 4.02Å; W192-E197 HydrophobicContact CH2-CB 3.88Å; W192-E197 HydrophobicContact CZ2-CB 3.98Å; W192-E197 HydrophobicContact CZ2-CG 4.2Å; W192-E197 HydrophobicContact CZ3-CB 3.91Å; W192-A218 CarbonylContact O-C 3.56Å; W192-A218 VanDerWaalsContact O-CA 3.27Å; W192-A218 WeakPolarHBondContact O-CA 3.46Å; W192-K219 HydrophobicContact CB-CB 4.35Å; W192-K219 PolarHBondContact N-O 3.49Å; W192-K219 PolarHBondContact O-N 2.9Å; W192-T221 PolarHBondContact NE1-OG1 2.88Å; W192-A227 HydrophobicContact CE3-CB 4.11Å; W192-A227 VanDerWaalsContact CH2-CA 3.5Å; W192-A227 HydrophobicContact CH2-CB 3.67Å; W192-A227 HydrophobicContact CZ2-CB 4.3Å; W192-A227 HydrophobicContact CZ3-CB 3.55Å; W192-P228 HydrophobicContact CB-CG 3.79Å; W192-P228 HydrophobicContact CD2-CG 4.21Å; W192-P228 HydrophobicContact CG-CG 3.79Å
193F90.7Very high89.5Confident45 Ų4556.7 Ų56.720%0.19733%0.325CS..EExtended strand (participates in β ladder)trans-125.2126.9173.6171.6-115.2000109.7G195 K196 M198 I208 I216F193-G195 PolarHBondContact O-N 3.49Å; F193-G195 VanDerWaalsContact O-N 3.12Å; F193-K196 PolarHBondContact N-O 3.03Å; F193-K196 PolarHBondContact O-N 3.24Å; F193-M198 HydrophobicContact CB-CE 4.04Å; F193-M198 HydrophobicContact CB-CG 4.28Å; F193-M198 HydrophobicContact CB-SD 3.97Å; F193-I208 HydrophobicContact CD1-CG1 4.48Å; F193-I208 HydrophobicContact CE1-CG1 4.18Å; F193-I216 HydrophobicContact CD2-CB 3.97Å; F193-I216 HydrophobicContact CD2-CD1 4.08Å; F193-I216 HydrophobicContact CD2-CG2 4.3Å; F193-I216 HydrophobicContact CE2-CB 3.59Å; F193-I216 HydrophobicContact CE2-CD1 4.44Å; F193-I216 HydrophobicContact CE2-CG2 3.54Å; F193-I216 HydrophobicContact CZ-CB 4.36Å; F193-I216 HydrophobicContact CZ-CG2 3.81Å
194S85.4Confident89.6Confident105 Ų10554.8 Ų54.873%0.73431%0.313SS*.THydrogen-bonded Turntrans5038.2179.3-170.40000114.4K196S194-K196 VanDerWaalsContact C-N 3.28Å; S194-K196 PolarHBondContact O-N 3.21Å
195G85.1Confident89.7Confident60 Ų6055.6 Ų55.662%0.61932%0.32SS*.THydrogen-bonded Turntrans78.32.9-179.300000115.3F193F193-G195 PolarHBondContact O-N 3.49Å; F193-G195 VanDerWaalsContact O-N 3.12Å
196K89.3Confident89.9Confident147 Ų14757.2 Ų57.264%0.63933%0.326SS*.EExtended strand (participates in β ladder)trans-107.2137.9174.5-64-178.4-179.7178.10110.5W192 F193 S194W192-K196 CarbonylContact C-O 3.49Å; W192-K196 WeakPolarHBondContact CA-O 3.31Å; F193-K196 PolarHBondContact N-O 3.03Å; F193-K196 PolarHBondContact O-N 3.24Å; S194-K196 VanDerWaalsContact C-N 3.28Å; S194-K196 PolarHBondContact O-N 3.21Å
197E90.6Very high90.1Very high62 Ų6257.7 Ų57.729%0.2932%0.32SS..EExtended strand (participates in β ladder)trans-72.9132.9172.1-169.9177.9-169.800110S190 W192 H199 Y207S190-E197 VanDerWaalsContact CB-OE1 3.31Å; S190-E197 WeakPolarHBondContact CB-OE1 3.44Å; W192-E197 HydrophobicContact CD2-CB 4.1Å; W192-E197 HydrophobicContact CE3-CB 4.02Å; W192-E197 HydrophobicContact CH2-CB 3.88Å; W192-E197 HydrophobicContact CZ2-CB 3.98Å; W192-E197 HydrophobicContact CZ2-CG 4.2Å; W192-E197 HydrophobicContact CZ3-CB 3.91Å; E197-H199 IonicContact OE2-CE1 3.43Å; E197-H199 IonicContact OE2-ND1 3.96Å; E197-Y207 WeakPolarHBondContact O-CE1 3.23Å; E197-Y207 PolarHBondContact O-OH 3.38Å
198M91.5Very high90.1Very high3 Ų354 Ų542%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-86.3108.6171.8-65.6-167.3-7400109.3I24 L191 F193 L204 Y207 A218I24-M198 HydrophobicContact CD1-CB 4.06Å; I24-M198 HydrophobicContact CD1-CG 4.41Å; I24-M198 HydrophobicContact CD1-SD 3.75Å; I24-M198 HydrophobicContact CG1-CB 4.3Å; I24-M198 HydrophobicContact CG2-CB 3.88Å; L191-M198 HydrophobicContact CB-CE 3.93Å; L191-M198 HydrophobicContact CD2-CE 3.22Å; L191-M198 HydrophobicContact CG-CE 3.29Å; L191-M198 WeakPolarHBondContact O-CB 3.47Å; L191-M198 PolarHBondContact O-N 3.45Å; F193-M198 HydrophobicContact CB-CE 4.04Å; F193-M198 HydrophobicContact CB-CG 4.28Å; F193-M198 HydrophobicContact CB-SD 3.97Å; M198-L204 HydrophobicContact SD-CD1 4.12Å; M198-Y207 WeakPolarHBondContact CA-OH 3.16Å; M198-Y207 HydrophobicContact CB-CE2 4.16Å; M198-Y207 HydrophobicContact CG-CD1 3.96Å; M198-Y207 HydrophobicContact CG-CD2 4Å; M198-Y207 HydrophobicContact CG-CE1 4Å; M198-Y207 HydrophobicContact CG-CE2 4.06Å; M198-Y207 HydrophobicContact CG-CG 3.96Å; M198-Y207 HydrophobicContact SD-CD2 4.28Å; M198-Y207 HydrophobicContact SD-CG 4.22Å; M198-A218 HydrophobicContact CE-CB 4.32Å
199H90.2Very high90.1Very high93 Ų9352.1 Ų52.143%0.43130%0.297SS..  trans-81.7146.7-175.5-62.3-56.9000111.8E197 K202 Y207E197-H199 IonicContact OE2-CE1 3.43Å; E197-H199 IonicContact OE2-ND1 3.96Å; H199-K202 PolarHBondContact O-N 2.89Å; H199-Y207 PolarHBondContact N-OH 2.87Å
200R88.1Confident90Very high76 Ų7660 Ų6029%0.28733%0.334SS..THydrogen-bonded Turntrans-64.2140.7172-58.1-173-172174.67.9109.9L28 A186 D187 A189L28-R200 HydrophobicContact CD1-CG 3.91Å; A186-R200 PolarHBondContact O-NH2 2.91Å; D187-R200 PolarHBondContact O-NH2 3.12Å; D187-R200 IonicContact OD1-NH1 3.95Å; A189-R200 PolarHBondContact O-NH2 2.9Å
201G88.5Confident89.9Confident72 Ų7264 Ų6474%0.74236%0.355SS*.THydrogen-bonded Turntrans91.9-8-175.600000115.6
202K93.3Very high89.6Confident93 Ų9366.9 Ų66.940%0.40437%0.37SS..SBendtrans-96.2163.4170.2-69.7-170.9-178.9-177.20111.8I24 H199 D206 Y207I24-K202 WeakPolarHBondContact CG1-O 3.39Å; I24-K202 PolarHBondContact N-O 3.22Å; H199-K202 PolarHBondContact O-N 2.89Å; K202-D206 WeakPolarHBondContact CB-OD2 3.31Å; K202-Y207 HydrophobicContact CB-CE2 4.01Å; K202-Y207 HydrophobicContact CD-CE2 3.88Å
203L93.3Very high89.4Confident69 Ų6974.7 Ų74.736%0.36141%0.405SS..BIsolated β-bridgetrans-92.3154.6172.2-66.1177.3000110.6S21 P23 S205 D206S21-L203 WeakPolarHBondContact O-CD2 3.31Å; P23-L203 HydrophobicContact CB-CD2 4.45Å; P23-L203 HydrophobicContact CG-CD2 4.19Å; L203-S205 WeakPolarHBondContact CB-OG 3.38Å; L203-S205 PolarHBondContact O-N 3.07Å; L203-D206 PolarHBondContact N-OD2 3.01Å; L203-D206 WeakPolarHBondContact O-CB 3.33Å; L203-D206 PolarHBondContact O-N 2.9Å; L203-D206 VanDerWaalsContact O-N 3.1Å
204L91.2Very high89.4Confident0 Ų074.1 Ų74.10%041%0.405CS..THydrogen-bonded Turntrans-58.5-32.2172.7-172.965.2000111.9V2 I4 S20 T22 I24 L27 M198 D206 Y207 I208V2-L204 HydrophobicContact CB-CD2 4.15Å; V2-L204 HydrophobicContact CG1-CD2 4.29Å; V2-L204 HydrophobicContact CG2-CD2 4.2Å; I4-L204 HydrophobicContact CD1-CD2 3.86Å; S20-L204 CarbonylContact O-C 3.6Å; S20-L204 WeakPolarHBondContact O-CB 3.24Å; T22-L204 WeakPolarHBondContact O-CB 3.09Å; T22-L204 PolarHBondContact O-N 3.35Å; I24-L204 HydrophobicContact CD1-CB 4.17Å; I24-L204 HydrophobicContact CD1-CD1 3.83Å; L27-L204 HydrophobicContact CD2-CD1 3.87Å; L27-L204 HydrophobicContact CD2-CD2 4.47Å; M198-L204 HydrophobicContact SD-CD1 4.12Å; L204-D206 PolarHBondContact O-N 3.01Å; L204-Y207 PolarHBondContact O-N 3.38Å; L204-I208 HydrophobicContact CD1-CD1 3.49Å; L204-I208 VanDerWaalsContact CD1-CD1 3.49Å; L204-I208 HydrophobicContact CD1-CG1 4.28Å; L204-I208 HydrophobicContact CD2-CD1 4.1Å; L204-I208 HydrophobicContact CG-CD1 3.6Å; L204-I208 HydrophobicContact CG-CG1 4.42Å; L204-I208 PolarHBondContact O-N 3.25Å; L204-I208 VanDerWaalsContact O-N 3.16Å
205S90.5Very high89.7Confident23 Ų2374.4 Ų74.416%0.16139%0.393CS..Hα-helixtrans-60.6-26.117658.40000114.1S20 L203 Y207 G209S20-S205 WeakPolarHBondContact O-CB 3.4Å; S20-S205 PolarHBondContact O-N 3.26Å; L203-S205 WeakPolarHBondContact CB-OG 3.38Å; L203-S205 PolarHBondContact O-N 3.07Å; S205-Y207 PolarHBondContact O-N 3.3Å; S205-G209 WeakPolarHBondContact CA-O 3.42Å; S205-G209 CarbonylContact O-C 2.9Å; S205-G209 WeakPolarHBondContact O-CA 3.21Å; S205-G209 PolarHBondContact O-N 2.9Å
206D91.2Very high90Very high102 Ų10272 Ų7255%0.54537%0.366SS..Hα-helixtrans-70.9-22.2-179.7-61.9-20.9000112.1K202 L203 L204K202-D206 WeakPolarHBondContact CB-OD2 3.31Å; L203-D206 PolarHBondContact N-OD2 3.01Å; L203-D206 WeakPolarHBondContact O-CB 3.33Å; L203-D206 PolarHBondContact O-N 2.9Å; L203-D206 VanDerWaalsContact O-N 3.1Å; L204-D206 PolarHBondContact O-N 3.01Å
207Y90.6Very high90.2Very high45 Ų4568.9 Ų68.918%0.17636%0.355CS..Hα-helixtrans-101.8-39.5-178.1-68.7-87.5000112.5I24 E197 M198 H199 K202 L204 S205I24-Y207 HydrophobicContact CG1-CE2 4.45Å; E197-Y207 WeakPolarHBondContact O-CE1 3.23Å; E197-Y207 PolarHBondContact O-OH 3.38Å; M198-Y207 WeakPolarHBondContact CA-OH 3.16Å; M198-Y207 HydrophobicContact CB-CE2 4.16Å; M198-Y207 HydrophobicContact CG-CD1 3.96Å; M198-Y207 HydrophobicContact CG-CD2 4Å; M198-Y207 HydrophobicContact CG-CE1 4Å; M198-Y207 HydrophobicContact CG-CE2 4.06Å; M198-Y207 HydrophobicContact CG-CG 3.96Å; M198-Y207 HydrophobicContact SD-CD2 4.28Å; M198-Y207 HydrophobicContact SD-CG 4.22Å; H199-Y207 PolarHBondContact N-OH 2.87Å; K202-Y207 HydrophobicContact CB-CE2 4.01Å; K202-Y207 HydrophobicContact CD-CE2 3.88Å; L204-Y207 PolarHBondContact O-N 3.38Å; S205-Y207 PolarHBondContact O-N 3.3Å
208I88Confident90.3Very high30 Ų3065.9 Ų65.915%0.15434%0.341CS..Hα-helixtrans-102.5-21.7-172.9-52.1175.7000111.8V2 F193 L204 T214 I216V2-I208 HydrophobicContact CG1-CD1 3.62Å; F193-I208 HydrophobicContact CD1-CG1 4.48Å; F193-I208 HydrophobicContact CE1-CG1 4.18Å; L204-I208 HydrophobicContact CD1-CD1 3.49Å; L204-I208 VanDerWaalsContact CD1-CD1 3.49Å; L204-I208 HydrophobicContact CD1-CG1 4.28Å; L204-I208 HydrophobicContact CD2-CD1 4.1Å; L204-I208 HydrophobicContact CG-CD1 3.6Å; L204-I208 HydrophobicContact CG-CG1 4.42Å; L204-I208 PolarHBondContact O-N 3.25Å; L204-I208 VanDerWaalsContact O-N 3.16Å; I208-T214 HydrophobicContact CG2-CG2 4.16Å; I208-T214 WeakPolarHBondContact CG2-OG1 3.25Å; I208-I216 HydrophobicContact CD1-CB 4.39Å; I208-I216 HydrophobicContact CD1-CD1 3.34Å; I208-I216 HydrophobicContact CD1-CG1 3.85Å; I208-I216 HydrophobicContact CD1-CG2 3.81Å; I208-I216 HydrophobicContact CG1-CD1 4.25Å; I208-I216 HydrophobicContact CG1-CG2 4.12Å; I208-I216 HydrophobicContact CG2-CG2 4.02Å
209G89Confident90.3Very high31 Ų3166.8 Ų66.832%0.3235%0.345SS..  trans91.3-177.8-169.400000112.8S205 N211S205-G209 WeakPolarHBondContact CA-O 3.42Å; S205-G209 CarbonylContact O-C 2.9Å; S205-G209 WeakPolarHBondContact O-CA 3.21Å; S205-G209 PolarHBondContact O-N 2.9Å; G209-N211 PolarHBondContact O-N 3.47Å
210H88.4Confident90.4Very high168 Ų16862.5 Ų62.578%0.77833%0.325SS*.SBendtrans-82.710.2-177.1-148.972.7000113.6D212H210-D212 PolarHBondContact O-N 3.41Å
211N87.8Confident90.6Very high90 Ų9059.8 Ų59.848%0.48132%0.317SS..  trans-90.9105.2-177.9-174.37.3000111.3G209 K213 T214G209-N211 PolarHBondContact O-N 3.47Å; N211-K213 PolarHBondContact O-N 2.89Å; N211-K213 PolarHBondContact OD1-N 3.31Å; N211-T214 HydrophobicContact CB-CG2 4.03Å; N211-T214 VanDerWaalsContact O-CG2 3.31Å; N211-T214 WeakPolarHBondContact O-CG2 3.5Å; N211-T214 PolarHBondContact O-OG1 3.28Å
212D86.5Confident90.6Very high60 Ų6061.5 Ų61.532%0.32130%0.304SS..SBendtrans-74.4-0.1175.9-86.3-3.2000114.2M1 S20 H210M1-D212 CarbonylContact C-O 3.53Å; M1-D212 VanDerWaalsContact CA-O 3.3Å; M1-D212 WeakPolarHBondContact CA-O 2.81Å; M1-D212 PolarHBondContact N-O 2.98Å; S20-D212 WeakPolarHBondContact CB-OD1 3.36Å; S20-D212 PolarHBondContact N-OD1 3.39Å; S20-D212 PolarHBondContact OG-OD1 3.47Å; H210-D212 PolarHBondContact O-N 3.41Å
213K88.5Confident90.2Very high194 Ų19463.2 Ų63.284%0.84331%0.308SS*.SBendtrans-104.151.3174.2-64.5-175.9-179.21790111.2N211N211-K213 PolarHBondContact O-N 2.89Å; N211-K213 PolarHBondContact OD1-N 3.31Å
214T90Very high89.6Confident33 Ų3363.8 Ų63.820%0.20233%0.33CS..  trans-122.8145-176.649.10000111.1V2 R3 I208 N211V2-T214 CarbonylContact C-O 3.56Å; V2-T214 WeakPolarHBondContact CA-O 3.17Å; R3-T214 PolarHBondContact N-O 3.17Å; I208-T214 HydrophobicContact CG2-CG2 4.16Å; I208-T214 WeakPolarHBondContact CG2-OG1 3.25Å; N211-T214 HydrophobicContact CB-CG2 4.03Å; N211-T214 VanDerWaalsContact O-CG2 3.31Å; N211-T214 WeakPolarHBondContact O-CG2 3.5Å; N211-T214 PolarHBondContact O-OG1 3.28Å
215K92.2Very high89.1Confident111 Ų11168.3 Ų68.348%0.48336%0.358SS..EExtended strand (participates in β ladder)trans-115.2120.9170.1-179.2173.1-177.6174.40107.5R3 D131R3-K215 HydrophobicContact CB-CB 4.22Å; R3-K215 HydrophobicContact CB-CG 4.11Å; R3-K215 CarbonylContact O-C 3.49Å; R3-K215 WeakPolarHBondContact O-CA 3.32Å; D131-K215 IonicContact OD1-NZ 3.54Å; D131-K215 PolarHBondContact OD1-NZ 2.84Å; D131-K215 IonicContact OD2-NZ 2.88Å
216I92Very high88.6Confident9 Ų969.1 Ų69.15%0.04637%0.37CS..EExtended strand (participates in β ladder)trans-119.2156.6-179.963.2146.5000111.3V2 R3 I4 V5 F193 I208V2-I216 HydrophobicContact CG1-CG1 3.93Å; R3-I216 PolarHBondContact O-N 3.41Å; I4-I216 HydrophobicContact CB-CD1 4.46Å; I4-I216 HydrophobicContact CB-CG1 4.24Å; I4-I216 HydrophobicContact CG1-CD1 4.02Å; I4-I216 HydrophobicContact CG1-CG1 3.89Å; I4-I216 HydrophobicContact CG2-CD1 4.03Å; I4-I216 HydrophobicContact CG2-CG1 4.19Å; V5-I216 PolarHBondContact N-O 3.02Å; F193-I216 HydrophobicContact CD2-CB 3.97Å; F193-I216 HydrophobicContact CD2-CD1 4.08Å; F193-I216 HydrophobicContact CD2-CG2 4.3Å; F193-I216 HydrophobicContact CE2-CB 3.59Å; F193-I216 HydrophobicContact CE2-CD1 4.44Å; F193-I216 HydrophobicContact CE2-CG2 3.54Å; F193-I216 HydrophobicContact CZ-CB 4.36Å; F193-I216 HydrophobicContact CZ-CG2 3.81Å; I208-I216 HydrophobicContact CD1-CB 4.39Å; I208-I216 HydrophobicContact CD1-CD1 3.34Å; I208-I216 HydrophobicContact CD1-CG1 3.85Å; I208-I216 HydrophobicContact CD1-CG2 3.81Å; I208-I216 HydrophobicContact CG1-CD1 4.25Å; I208-I216 HydrophobicContact CG1-CG2 4.12Å; I208-I216 HydrophobicContact CG2-CG2 4.02Å
217I92.2Very high88.1Confident82 Ų8267.4 Ų67.442%0.42137%0.37SS..EExtended strand (participates in β ladder)trans-111.4120.2172.8-59.7172.3000106.9V5 K7V5-I217 HydrophobicContact CB-CG1 4.37Å; K7-I217 HydrophobicContact CD-CG2 3.64Å; K7-I217 HydrophobicContact CG-CG2 3.87Å
218A92.9Very high87.7Confident0 Ų066.7 Ų66.70%037%0.371CS..EExtended strand (participates in β ladder)trans-115.4133.1178.300000109.9I4 V5 V6 K7 L191 W192 M198I4-A218 HydrophobicContact CG2-CB 3.81Å; V5-A218 PolarHBondContact O-N 3.24Å; V6-A218 WeakPolarHBondContact CA-O 3.36Å; K7-A218 PolarHBondContact N-O 2.95Å; L191-A218 HydrophobicContact CD1-CB 3.66Å; L191-A218 HydrophobicContact CD2-CB 4.28Å; L191-A218 HydrophobicContact CG-CB 3.93Å; W192-A218 CarbonylContact O-C 3.56Å; W192-A218 VanDerWaalsContact O-CA 3.27Å; W192-A218 WeakPolarHBondContact O-CA 3.46Å; M198-A218 HydrophobicContact CE-CB 4.32Å
219K93.1Very high87.2Confident22 Ų2269 Ų6910%0.09640%0.395CS..EExtended strand (participates in β ladder)trans-99.7122.7177.7-66.9-166.6176.4-152.90110K7 G9 D10 W192 P228 A229 E231K7-K219 HydrophobicContact CB-CG 4.26Å; K7-K219 CarbonylContact O-C 3.55Å; K7-K219 WeakPolarHBondContact O-CA 3.49Å; G9-K219 WeakPolarHBondContact O-CE 3.14Å; G9-K219 PolarHBondContact O-NZ 3.49Å; D10-K219 IonicContact OD1-NZ 2.8Å; D10-K219 PolarHBondContact OD1-NZ 3.43Å; W192-K219 HydrophobicContact CB-CB 4.35Å; W192-K219 PolarHBondContact N-O 3.49Å; W192-K219 PolarHBondContact O-N 2.9Å; K219-P228 HydrophobicContact CB-CB 4.1Å; K219-P228 HydrophobicContact CB-CG 3.89Å; K219-P228 HydrophobicContact CD-CB 3.6Å; K219-P228 HydrophobicContact CD-CG 3.78Å; K219-P228 HydrophobicContact CG-CB 4.48Å; K219-P228 HydrophobicContact CG-CG 4.39Å; K219-A229 PolarHBondContact NZ-O 3.13Å; K219-E231 WeakPolarHBondContact CE-OE1 3.49Å; K219-E231 IonicContact NZ-OE1 3.32Å
220L92.4Very high86.5Confident2 Ų277.5 Ų77.51%0.0142%0.417CS..EExtended strand (participates in β ladder)trans-87.6126.9175.1-177.366.9000109.6V6 K7 I31 Y35 I184 A189 L191V6-L220 HydrophobicContact CG1-CB 4.11Å; K7-L220 PolarHBondContact O-N 3.17Å; I31-L220 HydrophobicContact CG2-CD1 4.16Å; I31-L220 HydrophobicContact CG2-CD2 4.11Å; Y35-L220 HydrophobicContact CD1-CD2 3.95Å; Y35-L220 HydrophobicContact CD2-CD2 4.13Å; Y35-L220 HydrophobicContact CE1-CD2 4.45Å; Y35-L220 HydrophobicContact CG-CD2 3.78Å; I184-L220 HydrophobicContact CD1-CD2 3.94Å; I184-L220 HydrophobicContact CD1-CG 3.86Å; A189-L220 HydrophobicContact CB-CD1 4.2Å; L191-L220 HydrophobicContact CD1-CB 4.43Å
221T90.8Very high85.7Confident19 Ų1972.8 Ų72.812%0.11740%0.395CS..EExtended strand (participates in β ladder)trans-135.9160.817855.10000111.2S190 W192 P228S190-T221 PolarHBondContact N-O 2.92Å; S190-T221 PolarHBondContact O-N 3.35Å; S190-T221 PolarHBondContact O-OG1 3.46Å; S190-T221 PolarHBondContact OG-O 3.12Å; S190-T221 PolarHBondContact OG-OG1 2.9Å; W192-T221 PolarHBondContact NE1-OG1 2.88Å; T221-P228 HydrophobicContact CG2-CB 4Å
222K89.5Confident84.9Confident109 Ų10973.2 Ų73.247%0.47440%0.403SS..EExtended strand (participates in β ladder)trans-76.6140.1170.4-170173.6-177.8172.80109.4N188 G224 T225N188-K222 HydrophobicContact CB-CG 4.47Å; N188-K222 CarbonylContact O-C 3.27Å; N188-K222 WeakPolarHBondContact O-CA 3.47Å; K222-G224 PolarHBondContact O-N 2.88Å; K222-T225 HydrophobicContact CB-CG2 4.11Å; K222-T225 PolarHBondContact O-N 2.92Å; K222-T225 PolarHBondContact O-OG1 3.28Å
223R84.8Confident84.1Confident129 Ų12977 Ų7749%0.48742%0.422SS..THydrogen-bonded Turntrans-56.8129.8175.5-174.1-178.8-76.7-176.3-3.5109.2D187 N188D187-R223 VanDerWaalsContact O-CZ 3.27Å; D187-R223 PolarHBondContact O-NH2 3.36Å; N188-R223 PolarHBondContact O-N 2.67Å
224G81.2Confident83.5Confident80 Ų8070.9 Ų70.983%0.82540%0.398SS*.THydrogen-bonded Turntrans96.5-13.9-179.700000115.6K222 G226K222-G224 PolarHBondContact O-N 2.88Å; G224-G226 PolarHBondContact O-N 3.38Å
225T80.3Confident82.9Confident96 Ų9673.6 Ų73.659%0.58941%0.411SS*.SBendtrans-75.3-4.2175.959.40000113.7K222K222-T225 HydrophobicContact CB-CG2 4.11Å; K222-T225 PolarHBondContact O-N 2.92Å; K222-T225 PolarHBondContact O-OG1 3.28Å
226G80.6Confident82.2Confident40 Ų4075.2 Ų75.241%0.41242%0.42SS..  trans76.5-170.9-17700000113.4G224G224-G226 PolarHBondContact O-N 3.38Å
227A79.7Confident81.8Confident65 Ų6581.5 Ų81.554%0.53745%0.449SS..SBendtrans-63.8137.5-179.500000110.8W192W192-A227 HydrophobicContact CE3-CB 4.11Å; W192-A227 VanDerWaalsContact CH2-CA 3.5Å; W192-A227 HydrophobicContact CH2-CB 3.67Å; W192-A227 HydrophobicContact CZ2-CB 4.3Å; W192-A227 HydrophobicContact CZ3-CB 3.55Å
228P81.8Confident81.4Confident31 Ų3182.9 Ų82.920%0.20145%0.454CS..PPolyproline II helixtrans-63.1148.3178.826.6-34.5000110.8W192 K219 T221 R230W192-P228 HydrophobicContact CB-CG 3.79Å; W192-P228 HydrophobicContact CD2-CG 4.21Å; W192-P228 HydrophobicContact CG-CG 3.79Å; K219-P228 HydrophobicContact CB-CB 4.1Å; K219-P228 HydrophobicContact CB-CG 3.89Å; K219-P228 HydrophobicContact CD-CB 3.6Å; K219-P228 HydrophobicContact CD-CG 3.78Å; K219-P228 HydrophobicContact CG-CB 4.48Å; K219-P228 HydrophobicContact CG-CG 4.39Å; T221-P228 HydrophobicContact CG2-CB 4Å; P228-R230 PolarHBondContact O-N 3.04Å
229A77.5Confident81Confident78 Ų7887.3 Ų87.365%0.64548%0.475SS*.PPolyproline II helixtrans-55136.6174.800000110.8K219K219-A229 PolarHBondContact NZ-O 3.13Å
230R75.5Confident80.8Confident210 Ų21094.7 Ų94.779%0.79250%0.502SS*.PPolyproline II helixtrans-71.9132.3175.4-174.7173.9168.1145-2.2108.4P228P228-R230 PolarHBondContact O-N 3.04Å
231E71.5Confident80.6Confident69 Ų6997.6 Ų97.632%0.32253%0.526SS..PPolyproline II helixtrans-61.1140.9177.3-61.7-178-173.600109.5K7 K219 I233K7-E231 WeakPolarHBondContact CD-OE1 3.45Å; K7-E231 VanDerWaalsContact NZ-CD 3.33Å; K7-E231 IonicContact NZ-OE1 3.11Å; K7-E231 PolarHBondContact NZ-OE1 3.48Å; K7-E231 IonicContact NZ-OE2 3.51Å; K7-E231 PolarHBondContact NZ-OE2 3.03Å; K219-E231 WeakPolarHBondContact CE-OE1 3.49Å; K219-E231 IonicContact NZ-OE1 3.32Å; E231-I233 PolarHBondContact O-N 2.97Å
232P70Confident80.5Confident98 Ų98100.5 Ų100.564%0.63654%0.539SS*.PPolyproline II helixtrans-58.2129.6171.324.7-31.7000108.6I234P232-I234 PolarHBondContact O-N 3.13Å
233I71.2Confident80.5Confident139 Ų139100.7 Ų100.771%0.71354%0.543SS*.SBendtrans-64.3-23.8-177.5-60.8166000110.7E231E231-I233 PolarHBondContact O-N 2.97Å
234I74Confident80.9Confident67 Ų6797.4 Ų97.434%0.34454%0.544SS..SBendtrans-115.8122.3-174.6-55.7173.1000107.4P232 Q238 Q239 M242P232-I234 PolarHBondContact O-N 3.13Å; I234-Q238 HydrophobicContact CG2-CB 3.66Å; I234-Q239 HydrophobicContact CG2-CB 3.87Å; I234-M242 HydrophobicContact CD1-CE 3.92Å; I234-M242 HydrophobicContact CD1-SD 4.18Å
235N77.8Confident81.4Confident90 Ų90100.6 Ų100.648%0.48153%0.532SS..  trans-66.7152.7172-172.313.7000110.2E237 Q238 Q239N235-E237 PolarHBondContact O-N 2.84Å; N235-Q238 HydrophobicContact CB-CB 4.43Å; N235-Q238 HydrophobicContact CB-CG 4.24Å; N235-Q238 CarbonylContact O-C 3.59Å; N235-Q238 WeakPolarHBondContact O-CA 3.45Å; N235-Q238 WeakPolarHBondContact O-CB 3.49Å; N235-Q238 PolarHBondContact O-N 2.75Å; N235-Q239 PolarHBondContact O-N 2.67Å
236E79Confident82Confident145 Ų145102.9 Ų102.968%0.67853%0.531SS*.Hα-helixtrans-54.7-38.3179.5-67.8-174.7172.600112.6Q239 R240E236-Q239 WeakPolarHBondContact O-CB 3.19Å; E236-Q239 PolarHBondContact O-N 3.23Å; E236-R240 WeakPolarHBondContact O-CB 3.38Å; E236-R240 PolarHBondContact O-N 3.34Å
237E82.9Confident82.5Confident140 Ų140107.9 Ų107.965%0.65454%0.538SS*.Hα-helixtrans-64.5-42.3175.4-66.8-178.2164.100112.3N235 Q239 R240 A241N235-E237 PolarHBondContact O-N 2.84Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-R240 PolarHBondContact O-N 2.99Å; E237-A241 WeakPolarHBondContact O-CB 3.33Å; E237-A241 PolarHBondContact O-N 2.91Å
238Q84.5Confident83.2Confident112 Ų112110.7 Ų110.752%0.52354%0.538SS..Hα-helixtrans-67.5-37.8175.8-69.2176.6-22.100110.8I234 N235 A241 M242I234-Q238 HydrophobicContact CG2-CB 3.66Å; N235-Q238 HydrophobicContact CB-CB 4.43Å; N235-Q238 HydrophobicContact CB-CG 4.24Å; N235-Q238 CarbonylContact O-C 3.59Å; N235-Q238 WeakPolarHBondContact O-CA 3.45Å; N235-Q238 WeakPolarHBondContact O-CB 3.49Å; N235-Q238 PolarHBondContact O-N 2.75Å; Q238-A241 PolarHBondContact O-N 2.97Å; Q238-M242 WeakPolarHBondContact O-CB 3.35Å; Q238-M242 PolarHBondContact O-N 3.48Å
239Q84.1Confident83.8Confident93 Ų93114.6 Ų114.644%0.43555%0.549SS..Hα-helixtrans-63.5-44.3175.2-172.9-178.117.500110.5I234 N235 E236 E237 M242 M243I234-Q239 HydrophobicContact CG2-CB 3.87Å; N235-Q239 PolarHBondContact O-N 2.67Å; E236-Q239 WeakPolarHBondContact O-CB 3.19Å; E236-Q239 PolarHBondContact O-N 3.23Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; Q239-M242 PolarHBondContact O-N 3.16Å; Q239-M243 HydrophobicContact CG-CE 3.75Å; Q239-M243 HydrophobicContact CG-SD 4.31Å; Q239-M243 WeakPolarHBondContact O-CB 3.41Å; Q239-M243 VanDerWaalsContact O-CG 3.28Å; Q239-M243 WeakPolarHBondContact O-CG 3.39Å; Q239-M243 PolarHBondContact O-N 2.99Å
240R87.3Confident84.6Confident177 Ų177117.2 Ų117.267%0.66855%0.548SS*.Hα-helixtrans-63.2-45176.1-169.1-175.1-64.6157.61.8111.6E236 E237 M242 M243 A244E236-R240 WeakPolarHBondContact O-CB 3.38Å; E236-R240 PolarHBondContact O-N 3.34Å; E237-R240 PolarHBondContact O-N 2.99Å; R240-M242 VanDerWaalsContact C-N 3.32Å; R240-M242 PolarHBondContact O-N 2.99Å; R240-M243 PolarHBondContact O-N 3.01Å; R240-A244 WeakPolarHBondContact O-CB 3.47Å; R240-A244 PolarHBondContact O-N 3.03Å
241A88.4Confident85.4Confident62 Ų62111.3 Ų111.351%0.51253%0.529SS..Hα-helixtrans-62.7-40.6175.900000111.7E237 Q238 A244 Y245E237-A241 WeakPolarHBondContact O-CB 3.33Å; E237-A241 PolarHBondContact O-N 2.91Å; Q238-A241 PolarHBondContact O-N 2.97Å; A241-A244 PolarHBondContact O-N 3.06Å; A241-Y245 WeakPolarHBondContact O-CB 3.47Å; A241-Y245 PolarHBondContact O-N 3.28Å
242M89.8Confident86.3Confident81 Ų81111.6 Ų111.640%0.39953%0.531SS..Hα-helixtrans-64.7-45.9175.9-178.4-179.5-67.600111.4I234 Q238 Q239 R240 Y245 Y246I234-M242 HydrophobicContact CD1-CE 3.92Å; I234-M242 HydrophobicContact CD1-SD 4.18Å; Q238-M242 WeakPolarHBondContact O-CB 3.35Å; Q238-M242 PolarHBondContact O-N 3.48Å; Q239-M242 PolarHBondContact O-N 3.16Å; R240-M242 VanDerWaalsContact C-N 3.32Å; R240-M242 PolarHBondContact O-N 2.99Å; M242-Y245 WeakPolarHBondContact O-CB 3.2Å; M242-Y245 PolarHBondContact O-N 3.43Å; M242-Y246 HydrophobicContact CG-CD2 3.64Å; M242-Y246 HydrophobicContact CG-CE2 3.31Å; M242-Y246 WeakPolarHBondContact O-CD2 3.36Å; M242-Y246 PolarHBondContact O-N 2.84Å; M242-Y246 HydrophobicContact SD-CE2 3.91Å
243M89.8Confident87.3Confident113 Ų113114.6 Ų114.656%0.55753%0.529SS*.Hα-helixtrans-61.7-43.9175-74.4175177.300111.8Q239 R240 Y245 Y246 Y247Q239-M243 HydrophobicContact CG-CE 3.75Å; Q239-M243 HydrophobicContact CG-SD 4.31Å; Q239-M243 WeakPolarHBondContact O-CB 3.41Å; Q239-M243 VanDerWaalsContact O-CG 3.28Å; Q239-M243 WeakPolarHBondContact O-CG 3.39Å; Q239-M243 PolarHBondContact O-N 2.99Å; R240-M243 PolarHBondContact O-N 3.01Å; M243-Y245 VanDerWaalsContact C-N 3.32Å; M243-Y245 PolarHBondContact O-N 3.26Å; M243-Y246 PolarHBondContact O-N 3.33Å; M243-Y247 WeakPolarHBondContact O-CB 3.36Å; M243-Y247 PolarHBondContact O-N 2.93Å
244A91.5Very high88.3Confident60 Ų60115.1 Ų115.150%0.49653%0.527SS..Hα-helixtrans-62.4-40.8176.700000111.7R240 A241 Y247 K248R240-A244 WeakPolarHBondContact O-CB 3.47Å; R240-A244 PolarHBondContact O-N 3.03Å; A241-A244 PolarHBondContact O-N 3.06Å; A244-Y247 PolarHBondContact O-N 3.34Å; A244-K248 WeakPolarHBondContact O-CB 3.31Å; A244-K248 PolarHBondContact O-N 3.38Å
245Y92.3Very high89Confident146 Ų146119.3 Ų119.357%0.57354%0.542SS*.Hα-helixtrans-62.3-48.6174.2178.1-95.8000111.7A241 M242 M243 Y247 K248 R249A241-Y245 WeakPolarHBondContact O-CB 3.47Å; A241-Y245 PolarHBondContact O-N 3.28Å; M242-Y245 WeakPolarHBondContact O-CB 3.2Å; M242-Y245 PolarHBondContact O-N 3.43Å; M243-Y245 VanDerWaalsContact C-N 3.32Å; M243-Y245 PolarHBondContact O-N 3.26Å; Y245-Y247 PolarHBondContact O-N 3.4Å; Y245-K248 PolarHBondContact O-N 3.21Å; Y245-R249 VanDerWaalsContact O-CB 3.31Å; Y245-R249 WeakPolarHBondContact O-CB 3.27Å; Y245-R249 PolarHBondContact O-N 2.76Å
246Y92.8Very high89.2Confident145 Ų145120.6 Ų120.657%0.56955%0.549SS*.Hα-helixtrans-64-38.9178-77.7-61.2000112.7M242 M243 R249 Q250M242-Y246 HydrophobicContact CG-CD2 3.64Å; M242-Y246 HydrophobicContact CG-CE2 3.31Å; M242-Y246 WeakPolarHBondContact O-CD2 3.36Å; M242-Y246 PolarHBondContact O-N 2.84Å; M242-Y246 HydrophobicContact SD-CE2 3.91Å; M243-Y246 PolarHBondContact O-N 3.33Å; Y246-R249 PolarHBondContact O-N 3.35Å; Y246-Q250 WeakPolarHBondContact O-CB 3.44Å; Y246-Q250 PolarHBondContact O-N 3.44Å
247Y92.5Very high89.4Confident144 Ų144121.5 Ų121.557%0.56555%0.553SS**Hα-helixtrans-63.3-49.6175.9-178.1-98000111.5M243 A244 Y245 R249 Q250 E251M243-Y247 WeakPolarHBondContact O-CB 3.36Å; M243-Y247 PolarHBondContact O-N 2.93Å; A244-Y247 PolarHBondContact O-N 3.34Å; Y245-Y247 PolarHBondContact O-N 3.4Å; Y247-R249 VanDerWaalsContact C-N 3.27Å; Y247-R249 PolarHBondContact O-N 2.88Å; Y247-Q250 WeakPolarHBondContact O-CB 3.45Å; Y247-Q250 PolarHBondContact O-N 2.84Å; Y247-Q250 VanDerWaalsContact O-N 3.11Å; Y247-E251 HydrophobicContact CD1-CG 4.36Å; Y247-E251 HydrophobicContact CE1-CG 3.97Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.47Å; Y247-E251 PolarHBondContact O-N 3.22Å; Y247-E251 PolarHBondContact OH-OE1 3.06Å
248K94.3Very high89.3Confident125 Ų125118.4 Ų118.454%0.54355%0.551SS.*Hα-helixtrans-58.6-42.3175.7-175.6-179.2176.2-176.40111.3A244 Y245 Q250 E251 E252A244-K248 WeakPolarHBondContact O-CB 3.31Å; A244-K248 PolarHBondContact O-N 3.38Å; Y245-K248 PolarHBondContact O-N 3.21Å; K248-Q250 VanDerWaalsContact C-N 3.33Å; K248-Q250 PolarHBondContact O-N 2.92Å; K248-E251 PolarHBondContact O-N 3.5Å; K248-E252 WeakPolarHBondContact CE-OE1 3.37Å; K248-E252 WeakPolarHBondContact O-CG 3.02Å; K248-E252 PolarHBondContact O-N 3.29Å
249R94.5Very high88.8Confident112 Ų112117 Ų11742%0.42355%0.547SS..Hα-helixtrans-61.7-42.8176.4-164.664.3167.9168.3-0.3111.2Y245 Y246 Y247 E252 W253Y245-R249 VanDerWaalsContact O-CB 3.31Å; Y245-R249 WeakPolarHBondContact O-CB 3.27Å; Y245-R249 PolarHBondContact O-N 2.76Å; Y246-R249 PolarHBondContact O-N 3.35Å; Y247-R249 VanDerWaalsContact C-N 3.27Å; Y247-R249 PolarHBondContact O-N 2.88Å; R249-E252 IonicContact NH1-OE2 3.62Å; R249-E252 PolarHBondContact NH1-OE2 3.41Å; R249-E252 VanDerWaalsContact NH1-OE2 3.11Å; R249-E252 WeakPolarHBondContact O-CB 3.49Å; R249-E252 PolarHBondContact O-N 2.94Å; R249-W253 PolarHBondContact O-N 3.28Å
250Q93.2Very high87.9Confident134 Ų134118.6 Ų118.663%0.62656%0.559SS**Hα-helixtrans-64.4-38.5176.8-171.2177.29.200112.1Y246 Y247 K248 W253 K254Y246-Q250 WeakPolarHBondContact O-CB 3.44Å; Y246-Q250 PolarHBondContact O-N 3.44Å; Y247-Q250 WeakPolarHBondContact O-CB 3.45Å; Y247-Q250 PolarHBondContact O-N 2.84Å; Y247-Q250 VanDerWaalsContact O-N 3.11Å; K248-Q250 VanDerWaalsContact C-N 3.33Å; K248-Q250 PolarHBondContact O-N 2.92Å; Q250-W253 PolarHBondContact O-N 2.97Å; Q250-K254 WeakPolarHBondContact O-CB 3.26Å; Q250-K254 PolarHBondContact O-N 2.86Å
251E92.6Very high86.8Confident86 Ų86116.7 Ų116.740%0.40256%0.562SS.*Hα-helixtrans-65.6-40.6173.1-71.4-167.3140.600112.6Y247 K248 W253 K254 K255Y247-E251 HydrophobicContact CD1-CG 4.36Å; Y247-E251 HydrophobicContact CE1-CG 3.97Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.47Å; Y247-E251 PolarHBondContact O-N 3.22Å; Y247-E251 PolarHBondContact OH-OE1 3.06Å; K248-E251 PolarHBondContact O-N 3.5Å; E251-W253 VanDerWaalsContact C-N 3.35Å; E251-K254 PolarHBondContact O-N 2.73Å; E251-K255 WeakPolarHBondContact O-CB 3.22Å; E251-K255 WeakPolarHBondContact O-CG 3.48Å; E251-K255 PolarHBondContact O-N 2.92Å
252E90.8Very high85.7Confident75 Ų75118.6 Ų118.635%0.3556%0.564SS.*Hα-helixtrans-59-46.7173-73.3170.3-17400110.8K248 R249 K255 L256K248-E252 WeakPolarHBondContact CE-OE1 3.37Å; K248-E252 WeakPolarHBondContact O-CG 3.02Å; K248-E252 PolarHBondContact O-N 3.29Å; R249-E252 IonicContact NH1-OE2 3.62Å; R249-E252 PolarHBondContact NH1-OE2 3.41Å; R249-E252 VanDerWaalsContact NH1-OE2 3.11Å; R249-E252 WeakPolarHBondContact O-CB 3.49Å; R249-E252 PolarHBondContact O-N 2.94Å; E252-K255 PolarHBondContact O-N 2.94Å; E252-L256 WeakPolarHBondContact O-CG 3.31Å; E252-L256 PolarHBondContact O-N 3.13Å
253W89.5Confident84.2Confident160 Ų160118.1 Ų118.161%0.60657%0.567SS**Hα-helixtrans-61.7-44.4176-78.7113.9000112.6R249 Q250 E251 K255 L256 E257R249-W253 PolarHBondContact O-N 3.28Å; Q250-W253 PolarHBondContact O-N 2.97Å; E251-W253 VanDerWaalsContact C-N 3.35Å; W253-K255 VanDerWaalsContact C-N 3.32Å; W253-K255 PolarHBondContact O-N 3Å; W253-L256 PolarHBondContact O-N 2.65Å; W253-E257 WeakPolarHBondContact O-CB 3.36Å; W253-E257 PolarHBondContact O-N 2.97Å
254K92.9Very high83.1Confident151 Ų151118.4 Ų118.466%0.65756%0.563SS**Hα-helixtrans-65.3-35.5178.1-169.3178.7-178.7-177.80112.2Q250 E251 E257 A258Q250-K254 WeakPolarHBondContact O-CB 3.26Å; Q250-K254 PolarHBondContact O-N 2.86Å; E251-K254 PolarHBondContact O-N 2.73Å; K254-E257 PolarHBondContact O-N 3.21Å; K254-A258 VanDerWaalsContact O-CB 3.31Å; K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 2.96Å
255K88.3Confident81.7Confident155 Ų155120.3 Ų120.367%0.67456%0.564SS**Hα-helixtrans-66.2-42.7173.4-79.4178-178.11750111.7E251 E252 W253 E257 A258 D259E251-K255 WeakPolarHBondContact O-CB 3.22Å; E251-K255 WeakPolarHBondContact O-CG 3.48Å; E251-K255 PolarHBondContact O-N 2.92Å; E252-K255 PolarHBondContact O-N 2.94Å; W253-K255 VanDerWaalsContact C-N 3.32Å; W253-K255 PolarHBondContact O-N 3Å; K255-E257 VanDerWaalsContact C-N 3.31Å; K255-A258 PolarHBondContact O-N 3.39Å; K255-D259 WeakPolarHBondContact O-CB 3.39Å; K255-D259 PolarHBondContact O-N 3.36Å
256L83.1Confident80.4Confident117 Ų117120.5 Ų120.561%0.61358%0.575SS**Hα-helixtrans-64.6-35175.2-72.1169000112.3E252 W253E252-L256 WeakPolarHBondContact O-CG 3.31Å; E252-L256 PolarHBondContact O-N 3.13Å; W253-L256 PolarHBondContact O-N 2.65Å
257E82.8Confident79.3Confident163 Ų163115.6 Ų115.676%0.76256%0.562SS**Hα-helixtrans-73.4-33.8176.6-171.7177.4-156.600112.6W253 K254 K255W253-E257 WeakPolarHBondContact O-CB 3.36Å; W253-E257 PolarHBondContact O-N 2.97Å; K254-E257 PolarHBondContact O-N 3.21Å; K255-E257 VanDerWaalsContact C-N 3.31Å
258A81.5Confident78Confident76 Ų76112.1 Ų112.163%0.62856%0.563SS**Hα-helixtrans-85.6-10.7176.900000113.8K254 K255 D260K254-A258 VanDerWaalsContact O-CB 3.31Å; K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 2.96Å; K255-A258 PolarHBondContact O-N 3.39Å; A258-D260 PolarHBondContact O-N 3.31Å
259D74Confident76.7Confident81 Ų81114.7 Ų114.743%0.43357%0.57SS.*  trans-73.378.1169.2-159.59.7000106.8K255 D261 C263K255-D259 WeakPolarHBondContact O-CB 3.39Å; K255-D259 PolarHBondContact O-N 3.36Å; D259-D261 PolarHBondContact O-N 3.13Å; D259-D261 VanDerWaalsContact O-N 3.1Å; D259-C263 WeakPolarHBondContact OD1-CB 3.36Å; D259-C263 PolarHBondContact OD1-SG 2.98Å
260D65.1Low75.5Confident127 Ų127110.9 Ų110.968%0.67956%0.562SS**  trans-55.2118.9166.5-83.9-33.3000105.9A258 D262 C263A258-D260 PolarHBondContact O-N 3.31Å; D260-D262 PolarHBondContact O-N 3.01Å; D260-C263 PolarHBondContact O-N 3.42Å
261D63.4Low74.3Confident138 Ų138109 Ų10974%0.73855%0.553SS**G310 helixtrans-44.5-18.7-170-80.4-46.7000114.4D259 C263 Y264D259-D261 PolarHBondContact O-N 3.13Å; D259-D261 VanDerWaalsContact O-N 3.1Å; D261-C263 PolarHBondContact O-N 3Å; D261-Y264 WeakPolarHBondContact O-CD1 3.28Å; D261-Y264 PolarHBondContact O-N 3.2Å; D261-Y264 VanDerWaalsContact O-N 3.11Å
262D65Low73.5Confident102 Ų102110.8 Ų110.855%0.54557%0.572SS.*G310 helixtrans-55.2-11.9175.1-68.4-17.5000115.5D260 Y264 L265D260-D262 PolarHBondContact O-N 3.01Å; D262-Y264 PolarHBondContact O-N 2.92Å; D262-L265 HydrophobicContact CB-CD1 3.95Å; D262-L265 VanDerWaalsContact O-CB 3.32Å; D262-L265 WeakPolarHBondContact O-CB 3.47Å; D262-L265 PolarHBondContact O-N 3.07Å; D262-L265 WeakPolarHBondContact OD1-CD1 3.22Å
263C58.7Low72.9Confident70 Ų70111.4 Ų111.447%0.47358%0.578SS.*G310 helixtrans-56.7-27.6168.6-79.80000113.3D259 D260 D261 L265 N266 S267D259-C263 WeakPolarHBondContact OD1-CB 3.36Å; D259-C263 PolarHBondContact OD1-SG 2.98Å; D260-C263 PolarHBondContact O-N 3.42Å; D261-C263 PolarHBondContact O-N 3Å; C263-L265 VanDerWaalsContact C-N 3.29Å; C263-L265 PolarHBondContact O-N 3.35Å; C263-N266 PolarHBondContact O-N 3.11Å; C263-S267 PolarHBondContact O-OG 3.04Å; C263-S267 VanDerWaalsContact O-OG 3.1Å
264Y65.9Low72.3Confident119 Ų119107.9 Ų107.947%0.46757%0.568SS.*G310 helixtrans-66.9-28.4173.385.4-99.2000112.4D261 D262 N266 S267 A270D261-Y264 WeakPolarHBondContact O-CD1 3.28Å; D261-Y264 PolarHBondContact O-N 3.2Å; D261-Y264 VanDerWaalsContact O-N 3.11Å; D262-Y264 PolarHBondContact O-N 2.92Å; Y264-N266 PolarHBondContact O-N 3.45Å; Y264-S267 VanDerWaalsContact O-CB 3.27Å; Y264-S267 WeakPolarHBondContact O-CB 3.37Å; Y264-S267 PolarHBondContact O-N 2.85Å; Y264-A270 HydrophobicContact CD2-CB 4.18Å; Y264-A270 WeakPolarHBondContact O-CB 3.04Å
265L63.4Low71.5Confident101 Ų101106.1 Ų106.153%0.52957%0.565SS.*G310 helixtrans-64.5-29.1178.1-75.8151.3000112.3D262 C263D262-L265 HydrophobicContact CB-CD1 3.95Å; D262-L265 VanDerWaalsContact O-CB 3.32Å; D262-L265 WeakPolarHBondContact O-CB 3.47Å; D262-L265 PolarHBondContact O-N 3.07Å; D262-L265 WeakPolarHBondContact OD1-CD1 3.22Å; C263-L265 VanDerWaalsContact C-N 3.29Å; C263-L265 PolarHBondContact O-N 3.35Å
266N64.9Low71.1Confident150 Ų150104.9 Ų104.980%0.80256%0.56SS**G310 helixtrans-88.8-3.5175.9-67.5-41.1000113.3C263 Y264C263-N266 PolarHBondContact O-N 3.11Å; Y264-N266 PolarHBondContact O-N 3.45Å
267S69.2Low70.9Confident41 Ų41102.6 Ų102.629%0.28754%0.543SS..SBendtrans-80.2136.9-176.5-66.20000111.3C263 Y264 W269 A270C263-S267 PolarHBondContact O-OG 3.04Å; C263-S267 VanDerWaalsContact O-OG 3.1Å; Y264-S267 VanDerWaalsContact O-CB 3.27Å; Y264-S267 WeakPolarHBondContact O-CB 3.37Å; Y264-S267 PolarHBondContact O-N 2.85Å; S267-W269 VanDerWaalsContact CB-CD1 3.45Å; S267-W269 PolarHBondContact O-N 2.91Å; S267-A270 PolarHBondContact O-N 3.23Å
268A65.2Low70.8Confident71 Ų71101.2 Ų101.259%0.58754%0.537SS*.THydrogen-bonded Turntrans-57-26.7-175.100000114.4Q274A268-Q274 PolarHBondContact O-NE2 3.48Å; A268-Q274 PolarHBondContact O-OE1 3.38Å
269W67.6Low70.8Confident180 Ų180105.9 Ų105.968%0.68254%0.543SS*.THydrogen-bonded Turntrans-77.9-22.2178.373.8-92000113.6S267 E271S267-W269 VanDerWaalsContact CB-CD1 3.45Å; S267-W269 PolarHBondContact O-N 2.91Å; W269-E271 VanDerWaalsContact C-N 3.35Å
270A67.5Low71.3Confident31 Ų31108 Ų10826%0.25655%0.55SS.*THydrogen-bonded Turntrans-85.3-8.7179.100000112.5Y264 S267 P272Y264-A270 HydrophobicContact CD2-CB 4.18Å; Y264-A270 WeakPolarHBondContact O-CB 3.04Å; S267-A270 PolarHBondContact O-N 3.23Å; A270-P272 WeakPolarHBondContact O-CD 3.46Å; A270-P272 VanDerWaalsContact O-N 3.15Å
271E70.1Confident72Confident94 Ų94104.6 Ų104.644%0.43955%0.545SS..  trans-65.7112.4173.5-86.8-139-172.500110.1W269 N273 Q274 R277W269-E271 VanDerWaalsContact C-N 3.35Å; E271-N273 PolarHBondContact O-N 3.43Å; E271-Q274 HydrophobicContact CB-CB 4.19Å; E271-Q274 VanDerWaalsContact O-CB 3.26Å; E271-Q274 WeakPolarHBondContact O-CB 3.47Å; E271-Q274 PolarHBondContact O-N 2.91Å; E271-R277 IonicContact OE2-NE 3.93Å
272P75.8Confident72.5Confident124 Ų124101.5 Ų101.581%0.80553%0.528SS*.THydrogen-bonded Turntrans-63.5-19.4-178.424.8-33000112.5A270A270-P272 WeakPolarHBondContact O-CD 3.46Å; A270-P272 VanDerWaalsContact O-N 3.15Å
273N76.8Confident72.7Confident88 Ų88101 Ų10147%0.47153%0.529SS..THydrogen-bonded Turntrans-96.18.2177.3-68.7-46.7000113.6E271 L275 K276 R277E271-N273 PolarHBondContact O-N 3.43Å; N273-L275 PolarHBondContact O-N 3.08Å; N273-K276 PolarHBondContact O-N 3.07Å; N273-R277 PolarHBondContact O-N 2.75Å
274Q76.5Confident73.3Confident87 Ų87105.2 Ų105.241%0.40755%0.547SS..Hα-helixtrans-57.2-49.6-177.1-169.9-172.531.200111.6A268 E271 K276 R277 Q278A268-Q274 PolarHBondContact O-NE2 3.48Å; A268-Q274 PolarHBondContact O-OE1 3.38Å; E271-Q274 HydrophobicContact CB-CB 4.19Å; E271-Q274 VanDerWaalsContact O-CB 3.26Å; E271-Q274 WeakPolarHBondContact O-CB 3.47Å; E271-Q274 PolarHBondContact O-N 2.91Å; Q274-K276 VanDerWaalsContact C-N 3.32Å; Q274-K276 PolarHBondContact O-N 3.15Å; Q274-R277 PolarHBondContact O-N 3.22Å; Q274-Q278 WeakPolarHBondContact O-CB 3.38Å; Q274-Q278 PolarHBondContact O-N 3.22Å
275L76.4Confident73.4Confident114 Ų114103 Ų10360%0.59754%0.543SS*.Hα-helixtrans-63.6-40.2179.7-143112.5000111.3N273 Q278 F279N273-L275 PolarHBondContact O-N 3.08Å; L275-Q278 PolarHBondContact O-N 2.78Å; L275-F279 HydrophobicContact CD2-CD2 3.95Å; L275-F279 HydrophobicContact CD2-CE2 3.58Å; L275-F279 HydrophobicContact CG-CD2 4.4Å; L275-F279 HydrophobicContact CG-CE2 4.28Å; L275-F279 WeakPolarHBondContact O-CD2 3.38Å; L275-F279 PolarHBondContact O-N 3.27Å
276K80.7Confident73.6Confident128 Ų128107.7 Ų107.756%0.55756%0.559SS**Hα-helixtrans-63.8-44.4176.1-177.1173-179.4-178.80111.5N273 Q274 Q278 F279 H280N273-K276 PolarHBondContact O-N 3.07Å; Q274-K276 VanDerWaalsContact C-N 3.32Å; Q274-K276 PolarHBondContact O-N 3.15Å; K276-Q278 VanDerWaalsContact C-N 3.31Å; K276-Q278 PolarHBondContact O-N 3.43Å; K276-F279 PolarHBondContact O-N 2.96Å; K276-H280 WeakPolarHBondContact O-CB 3.47Å; K276-H280 PolarHBondContact O-CD2 3.46Å; K276-H280 PolarHBondContact O-N 3.16Å
277R79Confident73.5Confident69 Ų69111.2 Ų111.226%0.2656%0.561SS.*Hα-helixtrans-62-39.1173.7-82.4-179.1162.7-109.37.3111.5E271 N273 Q274 H280 G281 L282 I285E271-R277 IonicContact OE2-NE 3.93Å; N273-R277 PolarHBondContact O-N 2.75Å; Q274-R277 PolarHBondContact O-N 3.22Å; R277-H280 PolarHBondContact O-N 2.77Å; R277-G281 PolarHBondContact O-N 3.26Å; R277-L282 HydrophobicContact CB-CB 4.37Å; R277-L282 HydrophobicContact CG-CB 4.23Å; R277-L282 PolarHBondContact NH1-O 2.93Å; R277-L282 PolarHBondContact O-N 3.12Å; R277-I285 PolarHBondContact NH1-O 3.48Å; R277-I285 PolarHBondContact NH2-O 2.88Å
278Q80.8Confident73.5Confident135 Ų135111.9 Ų111.963%0.63157%0.574SS**Hα-helixtrans-65.5-45.8177.9-156.6-177.38.800111.6Q274 L275 K276 H280 G281Q274-Q278 WeakPolarHBondContact O-CB 3.38Å; Q274-Q278 PolarHBondContact O-N 3.22Å; L275-Q278 PolarHBondContact O-N 2.78Å; K276-Q278 VanDerWaalsContact C-N 3.31Å; K276-Q278 PolarHBondContact O-N 3.43Å; Q278-H280 PolarHBondContact O-N 2.75Å; Q278-G281 PolarHBondContact O-N 2.84Å
279F81.9Confident73.1Confident173 Ų173114.9 Ų114.976%0.75959%0.588SS**Hα-helixtrans-65-36175.6-88.3-68.6000113.6L275 K276 G281L275-F279 HydrophobicContact CD2-CD2 3.95Å; L275-F279 HydrophobicContact CD2-CE2 3.58Å; L275-F279 HydrophobicContact CG-CD2 4.4Å; L275-F279 HydrophobicContact CG-CE2 4.28Å; L275-F279 WeakPolarHBondContact O-CD2 3.38Å; L275-F279 PolarHBondContact O-N 3.27Å; K276-F279 PolarHBondContact O-N 2.96Å; F279-G281 VanDerWaalsContact C-N 3.33Å
280H84Confident72.3Confident126 Ų126119.8 Ų119.858%0.58361%0.614SS**THydrogen-bonded Turntrans-84.3-1.8176.5-72.1-66.2000114K276 R277 Q278 L282K276-H280 WeakPolarHBondContact O-CB 3.47Å; K276-H280 PolarHBondContact O-CD2 3.46Å; K276-H280 PolarHBondContact O-N 3.16Å; R277-H280 PolarHBondContact O-N 2.77Å; Q278-H280 PolarHBondContact O-N 2.75Å; H280-L282 HydrophobicContact CB-CD1 3.74Å; H280-L282 HydrophobicContact CB-CG 3.89Å; H280-L282 PolarHBondContact O-N 3.11Å
281G78.6Confident72.5Confident56 Ų56124.3 Ų124.358%0.57763%0.632SS**THydrogen-bonded Turntrans67.320.1-17700000114.8R277 Q278 F279 T283R277-G281 PolarHBondContact O-N 3.26Å; Q278-G281 PolarHBondContact O-N 2.84Å; F279-G281 VanDerWaalsContact C-N 3.33Å; G281-T283 VanDerWaalsContact C-N 3.29Å; G281-T283 PolarHBondContact O-N 3.19Å
282L75.2Confident72.6Confident72 Ų72125.8 Ų125.838%0.37764%0.642SS.*  trans-87.913.5-177.3-62.9167.4000113.3R277 H280 N284 I285R277-L282 HydrophobicContact CB-CB 4.37Å; R277-L282 HydrophobicContact CG-CB 4.23Å; R277-L282 PolarHBondContact NH1-O 2.93Å; R277-L282 PolarHBondContact O-N 3.12Å; H280-L282 HydrophobicContact CB-CD1 3.74Å; H280-L282 HydrophobicContact CB-CG 3.89Å; H280-L282 PolarHBondContact O-N 3.11Å; L282-N284 PolarHBondContact O-N 3.42Å; L282-I285 HydrophobicContact CD2-CD1 3.49Å; L282-I285 VanDerWaalsContact CD2-CD1 3.49Å; L282-I285 HydrophobicContact CD2-CG1 4.37Å; L282-I285 PolarHBondContact O-N 3.3Å
283T69.4Low72.4Confident91 Ų91125.9 Ų125.956%0.55863%0.633SS**THydrogen-bonded Turntrans-60.8-27.9-17648.70000113.2G281G281-T283 VanDerWaalsContact C-N 3.29Å; G281-T283 PolarHBondContact O-N 3.19Å
284N70.1Confident72.2Confident159 Ų159128.2 Ų128.285%0.8564%0.642SS**THydrogen-bonded Turntrans-95.98.7-179.3-81.1-19.1000115.1L282L282-N284 PolarHBondContact O-N 3.42Å
285I67.6Low71.9Confident74 Ų74130.8 Ų130.838%0.37966%0.657SS.*  trans-102.5106.5179.8-50-171.7000110.1R277 L282R277-I285 PolarHBondContact NH1-O 3.48Å; R277-I285 PolarHBondContact NH2-O 2.88Å; L282-I285 HydrophobicContact CD2-CD1 3.49Å; L282-I285 VanDerWaalsContact CD2-CD1 3.49Å; L282-I285 HydrophobicContact CD2-CG1 4.37Å; L282-I285 PolarHBondContact O-N 3.3Å
286K68.8Low71.6Confident199 Ų199131.9 Ų131.987%0.86566%0.661SS**  trans-87.8120.1167.5-75.8-173.2174.5-173.90109.2
287W62.1Low71Confident223 Ų223132.1 Ų132.185%0.84567%0.669SS**  trans-96.495.4167.2-70.490.7000107.4
288G69.4Low70.4Confident55 Ų55137 Ų13757%0.56770%0.7SS**SBendtrans168.2149.8-179.800000110.3
289P57.4Low69.5Low135 Ų135137.2 Ų137.288%0.87771%0.706SS**  trans-60.714818026-31.5000110.4
290K49.5Very low68.4Low283 Ų283133.9 Ų133.9100%1.2370%0.701SS**  trans-61.50169.2-84.8-172.8174.8-178.40111.1

Retrieved 290 of 290 residues in 92.6 ms (Link to these results)

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