A0A077ZLY2_TRITR Loading...

Band 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLY2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M81.9Confident91.2Very high180 Ų18081.3 Ų81.389%0.88741%0.413SS*.  0146.40-78.1-171.4-86.100108.9F37 K38M1-F37 HydrophobicContact CB-CD1 4.35Å; M1-F37 HydrophobicContact SD-CB 4.08Å; M1-K38 CarbonylContact C-O 3.58Å; M1-K38 WeakPolarHBondContact CA-O 3.31Å
2S88.2Confident91.1Very high34 Ų3474.5 Ų74.524%0.23838%0.379CS..EExtended strand (participates in β ladder)trans-116141.5174.158.40000109.5F37 K38S2-F37 WeakPolarHBondContact O-CA 3.37Å; S2-K38 PolarHBondContact N-O 2.9Å; S2-K38 PolarHBondContact O-N 3.3Å; S2-K38 VanDerWaalsContact OG-CG 3.31Å; S2-K38 WeakPolarHBondContact OG-CG 3.44Å; S2-K38 PolarHBondContact OG-O 2.79Å
3V90.9Very high91.1Very high81 Ų8168.8 Ų68.849%0.49135%0.35SS..EExtended strand (participates in β ladder)trans-85.1144.1176.2175.80000110.2L35 H36 F37V3-L35 HydrophobicContact CG1-CD1 3.21Å; V3-L35 HydrophobicContact CG1-CD2 4.14Å; V3-L35 HydrophobicContact CG1-CG 3.67Å; V3-H36 WeakPolarHBondContact CA-O 3.49Å; V3-F37 HydrophobicContact CG2-CD1 3.57Å; V3-F37 HydrophobicContact CG2-CE1 3.2Å; V3-F37 HydrophobicContact CG2-CZ 3.88Å
4F91.7Very high90.9Very high26 Ų2663.9 Ų63.911%0.11433%0.325CS..EExtended strand (participates in β ladder)trans-143.9162.4168.270-80.4000110.2V6 Y31 H36 K38 V45 M47F4-V6 HydrophobicContact CD2-CG2 4.27Å; F4-V6 HydrophobicContact CE2-CG2 3.72Å; F4-Y31 HydrophobicContact CE1-CE2 4.25Å; F4-Y31 HydrophobicContact CE2-CD2 4.17Å; F4-Y31 AromaticContact CZ-CD2 3.51Å; F4-Y31 HydrophobicContact CZ-CD2 3.51Å; F4-Y31 AromaticContact CZ-CE2 3.6Å; F4-Y31 HydrophobicContact CZ-CE2 3.6Å; F4-Y31 HydrophobicContact CZ-CG 4.22Å; F4-H36 HydrophobicContact CD1-CB 4.29Å; F4-H36 WeakPolarHBondContact CD1-O 3.21Å; F4-H36 HydrophobicContact CE1-CB 3.56Å; F4-H36 HydrophobicContact CE2-CB 3.9Å; F4-H36 HydrophobicContact CZ-CB 3.33Å; F4-H36 PolarHBondContact N-O 2.91Å; F4-H36 PolarHBondContact O-N 3.17Å; F4-K38 HydrophobicContact CD1-CB 4.05Å; F4-K38 HydrophobicContact CD1-CD 3.85Å; F4-K38 HydrophobicContact CD1-CG 3.77Å; F4-K38 HydrophobicContact CE1-CB 3.77Å; F4-K38 HydrophobicContact CE1-CD 4.15Å; F4-K38 HydrophobicContact CE1-CG 4.02Å; F4-K38 HydrophobicContact CG-CD 4.48Å; F4-V45 HydrophobicContact CD2-CG1 4.4Å; F4-V45 HydrophobicContact CE1-CG2 4Å; F4-V45 HydrophobicContact CE2-CB 4.15Å; F4-V45 HydrophobicContact CE2-CG1 3.74Å; F4-V45 HydrophobicContact CE2-CG2 3.98Å; F4-V45 HydrophobicContact CZ-CB 4.34Å; F4-V45 HydrophobicContact CZ-CG1 4.17Å; F4-V45 HydrophobicContact CZ-CG2 3.66Å; F4-M47 HydrophobicContact CD2-CE 3.71Å; F4-M47 HydrophobicContact CE2-CE 4.04Å
5V93.1Very high90.8Very high91 Ų9160 Ų6055%0.55231%0.305SS*.EExtended strand (participates in β ladder)trans-117.8129.9-177.5-178.30000108.9G34 L35V5-G34 WeakPolarHBondContact CA-O 3.34Å; V5-L35 HydrophobicContact CG2-CD1 3.58Å
6V93.6Very high90.7Very high3 Ų362 Ų622%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-93.9124.9166.5-178.20000107.4F4 E10 E32 P33 G34 M47F4-V6 HydrophobicContact CD2-CG2 4.27Å; F4-V6 HydrophobicContact CE2-CG2 3.72Å; V6-E10 HydrophobicContact CG1-CB 4.34Å; V6-E10 WeakPolarHBondContact CG1-O 3.43Å; V6-E32 WeakPolarHBondContact CB-O 3.27Å; V6-P33 CarbonylContact O-C 3.6Å; V6-P33 WeakPolarHBondContact O-CA 3.38Å; V6-G34 PolarHBondContact N-O 2.99Å; V6-G34 PolarHBondContact O-N 2.98Å; V6-M47 HydrophobicContact CG1-SD 4.37Å; V6-M47 HydrophobicContact CG2-CE 3.95Å; V6-M47 HydrophobicContact CG2-SD 4.05Å
7K94.1Very high90.4Very high141 Ų14167.9 Ų67.961%0.61333%0.332SS*.PPolyproline II helixtrans-78159.8-178.9-66.4179.6-178.6175.50111.3E10K7-E10 PolarHBondContact O-N 2.76Å; K7-E10 VanDerWaalsContact O-N 3.17Å
8E91.7Very high89.8Confident189 Ų18967.7 Ų67.788%0.88335%0.349SS*.THydrogen-bonded Turntrans-60.8137.7169.1-170.5176.3-176.200110.7E10E8-E10 VanDerWaalsContact C-N 3.29Å
9G90.7Very high89.6Confident20 Ų2072.7 Ų72.721%0.20637%0.368CS..THydrogen-bonded Turntrans84.1-5.4-174.400000114.5A50G9-A50 WeakPolarHBondContact O-CB 3.45Å; G9-A50 PolarHBondContact O-N 2.95Å
10E93.6Very high89.4Confident61 Ų6170.1 Ų70.129%0.28536%0.356SS..EExtended strand (participates in β ladder)trans-114.1159.2174.7-65.2178.6167.800111.4V6 K7 E8 L48V6-E10 HydrophobicContact CG1-CB 4.34Å; V6-E10 WeakPolarHBondContact CG1-O 3.43Å; K7-E10 PolarHBondContact O-N 2.76Å; K7-E10 VanDerWaalsContact O-N 3.17Å; E8-E10 VanDerWaalsContact C-N 3.29Å; E10-L48 CarbonylContact C-O 3.59Å; E10-L48 VanDerWaalsContact CA-O 3.28Å; E10-L48 WeakPolarHBondContact CA-O 3.49Å
11R93.3Very high89.2Confident68 Ų6868.1 Ų68.126%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-126142.2164.5-61.7-64.3-173.7173.93.7109.4V30 Y31 E32 M47 L48 A50 F83R11-V30 HydrophobicContact CB-CG1 3.81Å; R11-V30 HydrophobicContact CG-CG1 4.37Å; R11-Y31 WeakPolarHBondContact CA-O 3.47Å; R11-E32 IonicContact CZ-OE1 3.59Å; R11-E32 IonicContact NH1-OE1 3.97Å; R11-E32 PolarHBondContact NH1-OE1 3.33Å; R11-E32 IonicContact NH2-OE1 2.82Å; R11-E32 PolarHBondContact NH2-OE1 2.8Å; R11-M47 WeakPolarHBondContact O-CA 3.49Å; R11-L48 PolarHBondContact N-O 3.46Å; R11-L48 PolarHBondContact O-N 3.46Å; R11-A50 HydrophobicContact CG-CB 4.1Å; R11-F83 HydrophobicContact CB-CD1 3.82Å; R11-F83 HydrophobicContact CB-CD2 4.22Å; R11-F83 HydrophobicContact CB-CE1 3.74Å; R11-F83 HydrophobicContact CB-CE2 4.19Å; R11-F83 HydrophobicContact CB-CG 4.06Å; R11-F83 HydrophobicContact CB-CZ 3.96Å; R11-F83 HydrophobicContact CG-CD1 4.21Å; R11-F83 HydrophobicContact CG-CD2 4.03Å; R11-F83 HydrophobicContact CG-CE1 3.74Å; R11-F83 HydrophobicContact CG-CE2 3.58Å; R11-F83 HydrophobicContact CG-CG 4.35Å; R11-F83 HydrophobicContact CG-CZ 3.41Å; R11-F83 VanDerWaalsContact CG-CZ 3.41Å
12G90.9Very high89.2Confident0 Ų065.5 Ų65.50%033%0.326CS..EExtended strand (participates in β ladder)trans-98.2115.8177.900000111.4V30 Y31 K46G12-V30 WeakPolarHBondContact O-CA 3.12Å; G12-Y31 PolarHBondContact N-O 2.99Å; G12-Y31 PolarHBondContact O-N 2.95Å; G12-K46 WeakPolarHBondContact CA-O 3.35Å
13I90.1Very high88.7Confident1 Ų166.8 Ų66.81%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-91127.9169.2-169.8175.7000110L15 V20 V45 K46 L48 S84 Y87I13-L15 HydrophobicContact CG2-CD1 4.39Å; I13-V20 HydrophobicContact CD1-CB 4.35Å; I13-V20 HydrophobicContact CD1-CG1 3.73Å; I13-V20 HydrophobicContact CD1-CG2 3.67Å; I13-V20 HydrophobicContact CG1-CG1 3.98Å; I13-V20 HydrophobicContact CG1-CG2 4.44Å; I13-V45 CarbonylContact O-C 3.1Å; I13-V45 WeakPolarHBondContact O-CA 3.42Å; I13-K46 HydrophobicContact CG2-CB 3.74Å; I13-K46 HydrophobicContact CG2-CG 4.35Å; I13-K46 WeakPolarHBondContact CG2-O 3.28Å; I13-K46 PolarHBondContact N-O 3.35Å; I13-K46 PolarHBondContact O-N 3.04Å; I13-L48 HydrophobicContact CB-CD1 4.47Å; I13-L48 HydrophobicContact CG2-CD1 3.94Å; I13-L48 HydrophobicContact CG2-CG 4.41Å; I13-S84 WeakPolarHBondContact CD1-OG 3.34Å; I13-Y87 HydrophobicContact CD1-CD1 4.39Å; I13-Y87 HydrophobicContact CD1-CG 3.96Å; I13-Y87 HydrophobicContact CG2-CD2 3.95Å; I13-Y87 HydrophobicContact CG2-CE2 4.49Å; I13-Y87 HydrophobicContact CG2-CG 4.36Å
14T88.7Confident87.8Confident0 Ų071.2 Ų71.20%035%0.352CS..EExtended strand (participates in β ladder)trans-91.9129.9-178.7-51.90000110.6L21 L29 Y31 E43 V45T14-L21 HydrophobicContact CG2-CB 4.27Å; T14-L21 HydrophobicContact CG2-CD2 3.9Å; T14-L21 WeakPolarHBondContact O-CB 3.23Å; T14-L21 PolarHBondContact O-N 3.24Å; T14-L29 PolarHBondContact N-O 3.15Å; T14-Y31 HydrophobicContact CG2-CE2 4.49Å; T14-Y31 VanDerWaalsContact OG1-CD2 3.24Å; T14-Y31 WeakPolarHBondContact OG1-CD2 3.33Å; T14-Y31 WeakPolarHBondContact OG1-CE2 3.41Å; T14-E43 HydrophobicContact CG2-CB 4.26Å; T14-E43 HydrophobicContact CG2-CG 4.39Å; T14-V45 HydrophobicContact CG2-CG2 4.27Å
15L89.5Confident86.9Confident5 Ų575.3 Ų75.33%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-116.4134.4175-55.3108.6000109.6I13 K19 V20 E43 T44 K46 Y87I13-L15 HydrophobicContact CG2-CD1 4.39Å; L15-K19 CarbonylContact C-O 3.54Å; L15-K19 VanDerWaalsContact CA-O 3.22Å; L15-K19 WeakPolarHBondContact CA-O 3.22Å; L15-V20 HydrophobicContact CD2-CG2 4.43Å; L15-E43 CarbonylContact O-C 3.49Å; L15-E43 VanDerWaalsContact O-CA 3.27Å; L15-E43 WeakPolarHBondContact O-CA 3.45Å; L15-T44 PolarHBondContact N-O 3.44Å; L15-T44 PolarHBondContact O-N 2.92Å; L15-K46 HydrophobicContact CD1-CB 3.96Å; L15-Y87 HydrophobicContact CD1-CE2 4.34Å; L15-Y87 HydrophobicContact CD2-CD1 4.28Å; L15-Y87 HydrophobicContact CD2-CE1 3.4Å; L15-Y87 HydrophobicContact CD2-CE2 4.23Å; L15-Y87 VanDerWaalsContact CD2-OH 3.23Å; L15-Y87 WeakPolarHBondContact CD2-OH 3.21Å
16R88.7Confident85.8Confident92 Ų9276 Ų7635%0.34738%0.375SS..EExtended strand (participates in β ladder)trans-120.9120.8173.2-160.9-176.6-77169.1-3.3108.2G18 K19 L21 I42 E43R16-G18 PolarHBondContact O-N 3.5Å; R16-K19 PolarHBondContact N-O 2.76Å; R16-K19 PolarHBondContact O-N 3.22Å; R16-K19 VanDerWaalsContact O-N 3.09Å; R16-L21 HydrophobicContact CB-CD1 4.17Å; R16-I42 HydrophobicContact CG-CG2 3.43Å; R16-I42 VanDerWaalsContact CG-CG2 3.43Å; R16-E43 HydrophobicContact CB-CG 4.39Å; R16-E43 HydrophobicContact CG-CG 4.09Å; R16-E43 IonicContact CZ-OE1 3.07Å; R16-E43 IonicContact NE-OE1 2.99Å; R16-E43 PolarHBondContact NE-OE1 2.89Å; R16-E43 IonicContact NH2-OE1 3.47Å; R16-E43 PolarHBondContact NH2-OE1 2.86Å
17F85.4Confident85Confident163 Ų16381.4 Ų81.472%0.71540%0.398SS*.THydrogen-bonded Turntrans52.139.9-174.8-51.5-66.8000113.4K19 I42F17-K19 PolarHBondContact O-N 2.9Å; F17-I42 HydrophobicContact CD1-CG2 4.45Å; F17-I42 HydrophobicContact CD2-CG2 4.35Å; F17-I42 HydrophobicContact CE1-CB 4.48Å; F17-I42 HydrophobicContact CE1-CG1 4.31Å; F17-I42 HydrophobicContact CE1-CG2 3.81Å; F17-I42 HydrophobicContact CE2-CG2 3.69Å; F17-I42 HydrophobicContact CZ-CB 4.35Å; F17-I42 HydrophobicContact CZ-CD1 4.48Å; F17-I42 HydrophobicContact CZ-CG1 4.21Å; F17-I42 HydrophobicContact CZ-CG2 3.39Å; F17-I42 PolarHBondContact N-O 3.41Å
18G80.7Confident84.4Confident63 Ų6376.7 Ų76.765%0.64938%0.383SS*.THydrogen-bonded Turntrans76-3.4179.500000115.7R16R16-G18 PolarHBondContact O-N 3.5Å
19K85.2Confident83.9Confident164 Ų16470 Ų7071%0.71335%0.352SS*.EExtended strand (participates in β ladder)trans-100.6143.4175-63.9-177.9-179.6179.70110.4L15 R16 F17 L21L15-K19 CarbonylContact C-O 3.54Å; L15-K19 VanDerWaalsContact CA-O 3.22Å; L15-K19 WeakPolarHBondContact CA-O 3.22Å; R16-K19 PolarHBondContact N-O 2.76Å; R16-K19 PolarHBondContact O-N 3.22Å; R16-K19 VanDerWaalsContact O-N 3.09Å; F17-K19 PolarHBondContact O-N 2.9Å; K19-L21 PolarHBondContact O-N 2.9Å
20V85.3Confident83.7Confident20 Ų2071.3 Ų71.312%0.12136%0.356CS..EExtended strand (participates in β ladder)trans-61.6121.3173.6176.50000108.8I13 L15 P28 Y87 L88I13-V20 HydrophobicContact CD1-CB 4.35Å; I13-V20 HydrophobicContact CD1-CG1 3.73Å; I13-V20 HydrophobicContact CD1-CG2 3.67Å; I13-V20 HydrophobicContact CG1-CG1 3.98Å; I13-V20 HydrophobicContact CG1-CG2 4.44Å; L15-V20 HydrophobicContact CD2-CG2 4.43Å; V20-P28 HydrophobicContact CG1-CB 3.97Å; V20-Y87 HydrophobicContact CG2-CD1 3.83Å; V20-Y87 HydrophobicContact CG2-CE1 4.34Å; V20-L88 HydrophobicContact CG2-CD2 3.93Å; V20-L88 HydrophobicContact CG2-CG 4.16Å
21L85Confident83.6Confident29 Ų2970.2 Ų70.215%0.15235%0.35CS..PPolyproline II helixtrans-71136.9178.5-173.964.2000109.2T14 R16 K19 L29T14-L21 HydrophobicContact CG2-CB 4.27Å; T14-L21 HydrophobicContact CG2-CD2 3.9Å; T14-L21 WeakPolarHBondContact O-CB 3.23Å; T14-L21 PolarHBondContact O-N 3.24Å; R16-L21 HydrophobicContact CB-CD1 4.17Å; K19-L21 PolarHBondContact O-N 2.9Å; L21-L29 HydrophobicContact CD2-CD2 3.91Å; L21-L29 PolarHBondContact O-N 3.4Å
22R83.5Confident83.5Confident124 Ų12472.7 Ų72.747%0.46836%0.364SS..BIsolated β-bridgetrans-117.9149.4176.6-61.8-174.5170.7-173.7-3.2109.6N26 K27R22-N26 WeakPolarHBondContact CD-O 3.49Å; R22-N26 WeakPolarHBondContact CD-OD1 3.48Å; R22-N26 PolarHBondContact NH1-OD1 2.63Å; R22-K27 CarbonylContact C-O 3.57Å; R22-K27 WeakPolarHBondContact CA-O 3.45Å; R22-K27 WeakPolarHBondContact CB-O 3.33Å
23D78Confident83.6Confident62 Ų6275.4 Ų75.433%0.33238%0.382SS..  trans-77.2-178173.768.610.9000111.7D25 N26 K27D23-D25 PolarHBondContact O-N 3.23Å; D23-D25 WeakPolarHBondContact OD1-CA 3.24Å; D23-D25 WeakPolarHBondContact OD1-CB 3.37Å; D23-D25 PolarHBondContact OD1-N 2.88Å; D23-N26 WeakPolarHBondContact O-CA 2.85Å; D23-N26 PolarHBondContact O-N 3.09Å; D23-N26 PolarHBondContact OD1-N 3.4Å; D23-N26 VanDerWaalsContact OD1-N 3.11Å; D23-K27 VanDerWaalsContact CG-O 3.3Å; D23-K27 PolarHBondContact N-O 2.86Å; D23-K27 WeakPolarHBondContact OD1-CA 3.49Å; D23-K27 WeakPolarHBondContact OD1-CB 3.47Å; D23-K27 PolarHBondContact OD1-N 2.92Å; D23-K27 VanDerWaalsContact OD1-O 3.1Å
24D71.7Confident83.8Confident174 Ų17476.7 Ų76.793%0.9340%0.396SS*.THydrogen-bonded Turntrans-66.2-23.9-179.6-60.1-36.2000112.8N26D24-N26 PolarHBondContact O-N 3.43Å
25D71.4Confident84Confident112 Ų11281.9 Ų81.960%0.59942%0.423SS*.THydrogen-bonded Turntrans-79.34.3171.6-77.9-14.6000112.3D23 K27D23-D25 PolarHBondContact O-N 3.23Å; D23-D25 WeakPolarHBondContact OD1-CA 3.24Å; D23-D25 WeakPolarHBondContact OD1-CB 3.37Å; D23-D25 PolarHBondContact OD1-N 2.88Å; D25-K27 HydrophobicContact CB-CD 4.02Å; D25-K27 HydrophobicContact CB-CG 4.01Å; D25-K27 PolarHBondContact O-N 2.87Å; D25-K27 IonicContact OD2-NZ 3.25Å; D25-K27 PolarHBondContact OD2-NZ 2.9Å
26N70.8Confident84.2Confident104 Ų10483.7 Ų83.756%0.55643%0.431SS*.SBendtrans58.521.5-172-170.536.2000113R22 D23 D24R22-N26 WeakPolarHBondContact CD-O 3.49Å; R22-N26 WeakPolarHBondContact CD-OD1 3.48Å; R22-N26 PolarHBondContact NH1-OD1 2.63Å; D23-N26 WeakPolarHBondContact O-CA 2.85Å; D23-N26 PolarHBondContact O-N 3.09Å; D23-N26 PolarHBondContact OD1-N 3.4Å; D23-N26 VanDerWaalsContact OD1-N 3.11Å; D24-N26 PolarHBondContact O-N 3.43Å
27K77Confident84.3Confident117 Ų11784.6 Ų84.651%0.50944%0.438SS..  trans-87.1139170.8-61.2171-170.9147.80108.9R22 D23 D25 L29R22-K27 CarbonylContact C-O 3.57Å; R22-K27 WeakPolarHBondContact CA-O 3.45Å; R22-K27 WeakPolarHBondContact CB-O 3.33Å; D23-K27 VanDerWaalsContact CG-O 3.3Å; D23-K27 PolarHBondContact N-O 2.86Å; D23-K27 WeakPolarHBondContact OD1-CA 3.49Å; D23-K27 WeakPolarHBondContact OD1-CB 3.47Å; D23-K27 PolarHBondContact OD1-N 2.92Å; D23-K27 VanDerWaalsContact OD1-O 3.1Å; D25-K27 HydrophobicContact CB-CD 4.02Å; D25-K27 HydrophobicContact CB-CG 4.01Å; D25-K27 PolarHBondContact O-N 2.87Å; D25-K27 IonicContact OD2-NZ 3.25Å; D25-K27 PolarHBondContact OD2-NZ 2.9Å; K27-L29 PolarHBondContact O-N 2.86Å
28P80.4Confident84.5Confident43 Ų4379.1 Ų79.128%0.27941%0.414SS..BIsolated β-bridgetrans-60.3134.7176.1-24.134.8000112.9V20 V30 S84V20-P28 HydrophobicContact CG1-CB 3.97Å; P28-V30 PolarHBondContact O-N 3.43Å; P28-V30 VanDerWaalsContact O-N 3.1Å; P28-S84 WeakPolarHBondContact CB-OG 3.04Å; P28-S84 VanDerWaalsContact CG-CB 3.47Å
29L83.1Confident84.9Confident48 Ų4879.3 Ų79.325%0.25140%0.399SS..  trans-78.898.8180-170.967.7000110.1T14 L21 K27 Y31T14-L29 PolarHBondContact N-O 3.15Å; L21-L29 HydrophobicContact CD2-CD2 3.91Å; L21-L29 PolarHBondContact O-N 3.4Å; K27-L29 PolarHBondContact O-N 2.86Å; L29-Y31 HydrophobicContact CD1-CE1 4.39Å; L29-Y31 HydrophobicContact CD2-CE1 4.2Å; L29-Y31 HydrophobicContact CD2-CE2 4.32Å; L29-Y31 WeakPolarHBondContact CD2-OH 3.41Å; L29-Y31 HydrophobicContact CG-CE1 4.23Å
30V86.3Confident84.9Confident47 Ų4773.8 Ų73.829%0.28538%0.38SS..EExtended strand (participates in β ladder)trans-109.9121.5176.4-177.20000109R11 G12 P28 F83R11-V30 HydrophobicContact CB-CG1 3.81Å; R11-V30 HydrophobicContact CG-CG1 4.37Å; G12-V30 WeakPolarHBondContact O-CA 3.12Å; P28-V30 PolarHBondContact O-N 3.43Å; P28-V30 VanDerWaalsContact O-N 3.1Å; V30-F83 HydrophobicContact CG1-CB 4.2Å; V30-F83 HydrophobicContact CG1-CD2 4.26Å; V30-F83 HydrophobicContact CG1-CG 4.3Å; V30-F83 HydrophobicContact CG2-CB 4.22Å
31Y89.8Confident85Confident38 Ų3882.8 Ų82.815%0.14942%0.418CS..EExtended strand (participates in β ladder)trans-86.6133.8179.9-68.3-59.9000112.1F4 R11 G12 T14 L29 H36 F37 V45F4-Y31 HydrophobicContact CE1-CE2 4.25Å; F4-Y31 HydrophobicContact CE2-CD2 4.17Å; F4-Y31 AromaticContact CZ-CD2 3.51Å; F4-Y31 HydrophobicContact CZ-CD2 3.51Å; F4-Y31 AromaticContact CZ-CE2 3.6Å; F4-Y31 HydrophobicContact CZ-CE2 3.6Å; F4-Y31 HydrophobicContact CZ-CG 4.22Å; R11-Y31 WeakPolarHBondContact CA-O 3.47Å; G12-Y31 PolarHBondContact N-O 2.99Å; G12-Y31 PolarHBondContact O-N 2.95Å; T14-Y31 HydrophobicContact CG2-CE2 4.49Å; T14-Y31 VanDerWaalsContact OG1-CD2 3.24Å; T14-Y31 WeakPolarHBondContact OG1-CD2 3.33Å; T14-Y31 WeakPolarHBondContact OG1-CE2 3.41Å; L29-Y31 HydrophobicContact CD1-CE1 4.39Å; L29-Y31 HydrophobicContact CD2-CE1 4.2Å; L29-Y31 HydrophobicContact CD2-CE2 4.32Å; L29-Y31 WeakPolarHBondContact CD2-OH 3.41Å; L29-Y31 HydrophobicContact CG-CE1 4.23Å; Y31-H36 HydrophobicContact CD1-CB 4.22Å; Y31-H36 AromaticContact CD1-CE1 3.7Å; Y31-H36 AromaticContact CD1-CG 3.66Å; Y31-H36 AromaticContact CD1-ND1 3.33Å; Y31-H36 VanDerWaalsContact CD1-ND1 3.33Å; Y31-H36 WeakPolarHBondContact CD1-ND1 3.42Å; Y31-H36 HydrophobicContact CE1-CB 4.38Å; Y31-H36 AromaticContact CE1-ND1 3.8Å; Y31-H36 HydrophobicContact CG-CB 4.35Å; Y31-H36 AromaticContact CG-CG 3.91Å; Y31-F37 PolarHBondContact OH-O 2.85Å; Y31-V45 HydrophobicContact CE2-CG2 4.49Å
32E91.5Very high85.2Confident120 Ų12084.7 Ų84.756%0.56143%0.427SS*.PPolyproline II helixtrans-77.2163172-54.2-146.3109.400112.5V6 R11 G34 H36V6-E32 WeakPolarHBondContact CB-O 3.27Å; R11-E32 IonicContact CZ-OE1 3.59Å; R11-E32 IonicContact NH1-OE1 3.97Å; R11-E32 PolarHBondContact NH1-OE1 3.33Å; R11-E32 IonicContact NH2-OE1 2.82Å; R11-E32 PolarHBondContact NH2-OE1 2.8Å; E32-G34 PolarHBondContact O-N 2.84Å; E32-H36 PolarHBondContact O-CD2 2.75Å; E32-H36 PolarHBondContact O-NE2 3.43Å
33P93.2Very high85.5Confident57 Ų5779.2 Ų79.237%0.3741%0.407SS..SBendtrans-50.3130.4171.2-2835.9000111.7V6V6-P33 CarbonylContact O-C 3.6Å; V6-P33 WeakPolarHBondContact O-CA 3.38Å
34G94.1Very high86.1Confident29 Ų2980.1 Ų80.130%0.29942%0.415SS..EExtended strand (participates in β ladder)trans143.6-176.2-174.700000114V5 V6 E32 H36V5-G34 WeakPolarHBondContact CA-O 3.34Å; V6-G34 PolarHBondContact N-O 2.99Å; V6-G34 PolarHBondContact O-N 2.98Å; E32-G34 PolarHBondContact O-N 2.84Å; G34-H36 PolarHBondContact O-CD2 3.3Å
35L94.3Very high87Confident109 Ų10973.2 Ų73.257%0.57138%0.379SS*.EExtended strand (participates in β ladder)trans-88124.5179.6-164.372.4000109.9V3 V5V3-L35 HydrophobicContact CG1-CD1 3.21Å; V3-L35 HydrophobicContact CG1-CD2 4.14Å; V3-L35 HydrophobicContact CG1-CG 3.67Å; V5-L35 HydrophobicContact CG2-CD1 3.58Å
36H93.2Very high87.9Confident42 Ų4272.5 Ų72.519%0.19437%0.371CS..EExtended strand (participates in β ladder)trans-132.9162.7-178.8-65.7-75000111.3V3 F4 Y31 E32 G34V3-H36 WeakPolarHBondContact CA-O 3.49Å; F4-H36 HydrophobicContact CD1-CB 4.29Å; F4-H36 WeakPolarHBondContact CD1-O 3.21Å; F4-H36 HydrophobicContact CE1-CB 3.56Å; F4-H36 HydrophobicContact CE2-CB 3.9Å; F4-H36 HydrophobicContact CZ-CB 3.33Å; F4-H36 PolarHBondContact N-O 2.91Å; F4-H36 PolarHBondContact O-N 3.17Å; Y31-H36 HydrophobicContact CD1-CB 4.22Å; Y31-H36 AromaticContact CD1-CE1 3.7Å; Y31-H36 AromaticContact CD1-CG 3.66Å; Y31-H36 AromaticContact CD1-ND1 3.33Å; Y31-H36 VanDerWaalsContact CD1-ND1 3.33Å; Y31-H36 WeakPolarHBondContact CD1-ND1 3.42Å; Y31-H36 HydrophobicContact CE1-CB 4.38Å; Y31-H36 AromaticContact CE1-ND1 3.8Å; Y31-H36 HydrophobicContact CG-CB 4.35Å; Y31-H36 AromaticContact CG-CG 3.91Å; E32-H36 PolarHBondContact O-CD2 2.75Å; E32-H36 PolarHBondContact O-NE2 3.43Å; G34-H36 PolarHBondContact O-CD2 3.3Å
37F90.9Very high89Confident111 Ų11170.5 Ų70.549%0.48736%0.358SS..EExtended strand (participates in β ladder)trans-114.4142.9177.9-64.8-94.4000110.3M1 S2 V3 Y31M1-F37 HydrophobicContact CB-CD1 4.35Å; M1-F37 HydrophobicContact SD-CB 4.08Å; S2-F37 WeakPolarHBondContact O-CA 3.37Å; V3-F37 HydrophobicContact CG2-CD1 3.57Å; V3-F37 HydrophobicContact CG2-CE1 3.2Å; V3-F37 HydrophobicContact CG2-CZ 3.88Å; Y31-F37 PolarHBondContact OH-O 2.85Å
38K88.9Confident89.8Confident48 Ų4865.2 Ų65.221%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-135.5163.4171.568.7-179.9-168.1135.80111.1M1 S2 F4 P40 E43 V45M1-K38 CarbonylContact C-O 3.58Å; M1-K38 WeakPolarHBondContact CA-O 3.31Å; S2-K38 PolarHBondContact N-O 2.9Å; S2-K38 PolarHBondContact O-N 3.3Å; S2-K38 VanDerWaalsContact OG-CG 3.31Å; S2-K38 WeakPolarHBondContact OG-CG 3.44Å; S2-K38 PolarHBondContact OG-O 2.79Å; F4-K38 HydrophobicContact CD1-CB 4.05Å; F4-K38 HydrophobicContact CD1-CD 3.85Å; F4-K38 HydrophobicContact CD1-CG 3.77Å; F4-K38 HydrophobicContact CE1-CB 3.77Å; F4-K38 HydrophobicContact CE1-CD 4.15Å; F4-K38 HydrophobicContact CE1-CG 4.02Å; F4-K38 HydrophobicContact CG-CD 4.48Å; K38-P40 WeakPolarHBondContact O-CD 3.07Å; K38-E43 WeakPolarHBondContact CA-OE2 3.37Å; K38-E43 HydrophobicContact CB-CB 4.22Å; K38-E43 WeakPolarHBondContact CB-OE2 3.28Å; K38-E43 PolarHBondContact NZ-O 3.07Å; K38-V45 HydrophobicContact CB-CG2 4.47Å; K38-V45 HydrophobicContact CD-CG2 3.76Å
39I89.1Confident90.4Very high68 Ų6864.9 Ų64.935%0.34933%0.332SS..  trans-85.6114.2172.1-55.9177.6000108.5I42 E43I39-I42 HydrophobicContact CG2-CB 4.34Å; I39-I42 HydrophobicContact CG2-CD1 4.26Å; I39-E43 HydrophobicContact CB-CG 4.21Å; I39-E43 PolarHBondContact N-OE2 2.86Å; I39-E43 WeakPolarHBondContact O-CB 3.47Å; I39-E43 PolarHBondContact O-N 2.79Å
40P86.3Confident90.8Very high47 Ų4764 Ų6431%0.30533%0.331SS..THydrogen-bonded Turntrans-61.5157.7177.327.4-34.2000111K38 I42K38-P40 WeakPolarHBondContact O-CD 3.07Å; P40-I42 PolarHBondContact O-N 3.1Å
41F86Confident91.2Very high210 Ų21069.3 Ų69.392%0.92135%0.346SS*.THydrogen-bonded Turntrans68.4-40.1-175.6-51.9-77.6000116.1
42I89.7Confident91.5Very high68 Ų6871.8 Ų71.835%0.34936%0.361SS..THydrogen-bonded Turntrans-93.9-37.2-175.8-62.1170.6000111.5R16 F17 I39 P40R16-I42 HydrophobicContact CG-CG2 3.43Å; R16-I42 VanDerWaalsContact CG-CG2 3.43Å; F17-I42 HydrophobicContact CD1-CG2 4.45Å; F17-I42 HydrophobicContact CD2-CG2 4.35Å; F17-I42 HydrophobicContact CE1-CB 4.48Å; F17-I42 HydrophobicContact CE1-CG1 4.31Å; F17-I42 HydrophobicContact CE1-CG2 3.81Å; F17-I42 HydrophobicContact CE2-CG2 3.69Å; F17-I42 HydrophobicContact CZ-CB 4.35Å; F17-I42 HydrophobicContact CZ-CD1 4.48Å; F17-I42 HydrophobicContact CZ-CG1 4.21Å; F17-I42 HydrophobicContact CZ-CG2 3.39Å; F17-I42 PolarHBondContact N-O 3.41Å; I39-I42 HydrophobicContact CG2-CB 4.34Å; I39-I42 HydrophobicContact CG2-CD1 4.26Å; P40-I42 PolarHBondContact O-N 3.1Å
43E90.5Very high91.7Very high10 Ų1068.2 Ų68.25%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-108.5129.1-178.3-63.2175.2168.200113.1T14 L15 R16 K38 I39T14-E43 HydrophobicContact CG2-CB 4.26Å; T14-E43 HydrophobicContact CG2-CG 4.39Å; L15-E43 CarbonylContact O-C 3.49Å; L15-E43 VanDerWaalsContact O-CA 3.27Å; L15-E43 WeakPolarHBondContact O-CA 3.45Å; R16-E43 HydrophobicContact CB-CG 4.39Å; R16-E43 HydrophobicContact CG-CG 4.09Å; R16-E43 IonicContact CZ-OE1 3.07Å; R16-E43 IonicContact NE-OE1 2.99Å; R16-E43 PolarHBondContact NE-OE1 2.89Å; R16-E43 IonicContact NH2-OE1 3.47Å; R16-E43 PolarHBondContact NH2-OE1 2.86Å; K38-E43 WeakPolarHBondContact CA-OE2 3.37Å; K38-E43 HydrophobicContact CB-CB 4.22Å; K38-E43 WeakPolarHBondContact CB-OE2 3.28Å; K38-E43 PolarHBondContact NZ-O 3.07Å; I39-E43 HydrophobicContact CB-CG 4.21Å; I39-E43 PolarHBondContact N-OE2 2.86Å; I39-E43 WeakPolarHBondContact O-CB 3.47Å; I39-E43 PolarHBondContact O-N 2.79Å
44T90.2Very high91.7Very high80 Ų8068.8 Ų68.849%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-114.7137.1171.458.90000108.7L15L15-T44 PolarHBondContact N-O 3.44Å; L15-T44 PolarHBondContact O-N 2.92Å
45V90.9Very high91.6Very high29 Ų2967.8 Ų67.818%0.17633%0.334CS..EExtended strand (participates in β ladder)trans-111.7123.2176.3179.30000107.2F4 I13 T14 Y31 K38 M47F4-V45 HydrophobicContact CD2-CG1 4.4Å; F4-V45 HydrophobicContact CE1-CG2 4Å; F4-V45 HydrophobicContact CE2-CB 4.15Å; F4-V45 HydrophobicContact CE2-CG1 3.74Å; F4-V45 HydrophobicContact CE2-CG2 3.98Å; F4-V45 HydrophobicContact CZ-CB 4.34Å; F4-V45 HydrophobicContact CZ-CG1 4.17Å; F4-V45 HydrophobicContact CZ-CG2 3.66Å; I13-V45 CarbonylContact O-C 3.1Å; I13-V45 WeakPolarHBondContact O-CA 3.42Å; T14-V45 HydrophobicContact CG2-CG2 4.27Å; Y31-V45 HydrophobicContact CE2-CG2 4.49Å; K38-V45 HydrophobicContact CB-CG2 4.47Å; K38-V45 HydrophobicContact CD-CG2 3.76Å; V45-M47 HydrophobicContact CG1-CE 3.96Å; V45-M47 HydrophobicContact CG1-SD 4.06Å
46K90.9Very high91.2Very high98 Ų9867.3 Ų67.343%0.42633%0.332SS..EExtended strand (participates in β ladder)trans-98123.5174.5176.472.2173.5-175.10108G12 I13 L15 L48 Y87G12-K46 WeakPolarHBondContact CA-O 3.35Å; I13-K46 HydrophobicContact CG2-CB 3.74Å; I13-K46 HydrophobicContact CG2-CG 4.35Å; I13-K46 WeakPolarHBondContact CG2-O 3.28Å; I13-K46 PolarHBondContact N-O 3.35Å; I13-K46 PolarHBondContact O-N 3.04Å; L15-K46 HydrophobicContact CD1-CB 3.96Å; K46-L48 HydrophobicContact CG-CD2 4.08Å; K46-L48 HydrophobicContact CG-CG 4.43Å; K46-Y87 HydrophobicContact CB-CE2 4.27Å; K46-Y87 HydrophobicContact CG-CD2 4.36Å; K46-Y87 HydrophobicContact CG-CE2 4.07Å
47M93Very high90.6Very high61 Ų6165.7 Ų65.730%0.333%0.325SS..EExtended strand (participates in β ladder)trans-81.4134.1172.9-55.6-51.6178.900109.4F4 V6 R11 V45F4-M47 HydrophobicContact CD2-CE 3.71Å; F4-M47 HydrophobicContact CE2-CE 4.04Å; V6-M47 HydrophobicContact CG1-SD 4.37Å; V6-M47 HydrophobicContact CG2-CE 3.95Å; V6-M47 HydrophobicContact CG2-SD 4.05Å; R11-M47 WeakPolarHBondContact O-CA 3.49Å; V45-M47 HydrophobicContact CG1-CE 3.96Å; V45-M47 HydrophobicContact CG1-SD 4.06Å
48L93.2Very high90.4Very high7 Ų767.3 Ų67.34%0.03734%0.335CS..EExtended strand (participates in β ladder)trans-126.2137.2178.3-63.3175.5000108.6E10 R11 I13 K46 A50 I80 F83 Y86E10-L48 CarbonylContact C-O 3.59Å; E10-L48 VanDerWaalsContact CA-O 3.28Å; E10-L48 WeakPolarHBondContact CA-O 3.49Å; R11-L48 PolarHBondContact N-O 3.46Å; R11-L48 PolarHBondContact O-N 3.46Å; I13-L48 HydrophobicContact CB-CD1 4.47Å; I13-L48 HydrophobicContact CG2-CD1 3.94Å; I13-L48 HydrophobicContact CG2-CG 4.41Å; K46-L48 HydrophobicContact CG-CD2 4.08Å; K46-L48 HydrophobicContact CG-CG 4.43Å; L48-A50 PolarHBondContact O-N 2.62Å; L48-I80 HydrophobicContact CB-CD1 4.26Å; L48-F83 HydrophobicContact CB-CD1 3.7Å; L48-F83 HydrophobicContact CB-CE1 4.1Å; L48-F83 HydrophobicContact CD1-CB 4.09Å; L48-F83 HydrophobicContact CD1-CD1 3.92Å; L48-F83 HydrophobicContact CG-CD1 4.47Å; L48-Y86 HydrophobicContact CD1-CD1 4.26Å; L48-Y86 HydrophobicContact CD2-CE1 4.36Å
49D94Very high90.5Very high36 Ų3667.7 Ų67.719%0.19335%0.347CS..EExtended strand (participates in β ladder)trans-74.8121.9-179-165.8-20.1000110.4R51 Q53 I80D49-R51 WeakPolarHBondContact OD1-CB 3.17Å; D49-R51 VanDerWaalsContact OD1-CG 3.3Å; D49-R51 WeakPolarHBondContact OD1-CG 3.28Å; D49-R51 IonicContact OD1-CZ 2.63Å; D49-R51 PolarHBondContact OD1-N 3.41Å; D49-R51 IonicContact OD1-NE 3.83Å; D49-R51 PolarHBondContact OD1-NE 3.41Å; D49-R51 IonicContact OD1-NH2 3.82Å; D49-R51 IonicContact OD2-CZ 3.2Å; D49-R51 IonicContact OD2-NE 2.72Å; D49-R51 PolarHBondContact OD2-NE 2.89Å; D49-R51 IonicContact OD2-NH2 3.4Å; D49-R51 PolarHBondContact OD2-NH2 3.24Å; D49-Q53 PolarHBondContact OD2-NE2 2.73Å; D49-I80 WeakPolarHBondContact O-CD1 3.25Å
50A91.6Very high90.6Very high29 Ų2966.4 Ų66.424%0.2434%0.34CS..  trans-90.1-6.4-179.600000113.3G9 R11 L48 F83G9-A50 WeakPolarHBondContact O-CB 3.45Å; G9-A50 PolarHBondContact O-N 2.95Å; R11-A50 HydrophobicContact CG-CB 4.1Å; L48-A50 PolarHBondContact O-N 2.62Å; A50-F83 HydrophobicContact CB-CE1 4.06Å; A50-F83 HydrophobicContact CB-CZ 3.58Å
51R95.1Very high91Very high159 Ų15970.3 Ų70.360%0.635%0.349SS*.SBendtrans-75.3164.8-177.7-60.1174-64.4174.63.8111.2D49 Q53D49-R51 WeakPolarHBondContact OD1-CB 3.17Å; D49-R51 VanDerWaalsContact OD1-CG 3.3Å; D49-R51 WeakPolarHBondContact OD1-CG 3.28Å; D49-R51 IonicContact OD1-CZ 2.63Å; D49-R51 PolarHBondContact OD1-N 3.41Å; D49-R51 IonicContact OD1-NE 3.83Å; D49-R51 PolarHBondContact OD1-NE 3.41Å; D49-R51 IonicContact OD1-NH2 3.82Å; D49-R51 IonicContact OD2-CZ 3.2Å; D49-R51 IonicContact OD2-NE 2.72Å; D49-R51 PolarHBondContact OD2-NE 2.89Å; D49-R51 IonicContact OD2-NH2 3.4Å; D49-R51 PolarHBondContact OD2-NH2 3.24Å; R51-Q53 PolarHBondContact O-N 3.02Å
52I96Very high91.4Very high89 Ų8960.4 Ų60.446%0.45631%0.305SS..PPolyproline II helixtrans-68.9117.3173-60.5172.8000108.6K77 W78 R79 V189I52-K77 HydrophobicContact CG2-CB 3.76Å; I52-K77 HydrophobicContact CG2-CD 4.35Å; I52-W78 CarbonylContact C-O 3.52Å; I52-W78 WeakPolarHBondContact CA-O 3.17Å; I52-R79 HydrophobicContact CG1-CB 4.38Å; I52-V189 HydrophobicContact CD1-CG1 4.12Å; I52-V189 HydrophobicContact CD1-CG2 4.34Å; I52-V189 HydrophobicContact CG1-CG2 4.24Å
53Q94.3Very high91.6Very high45 Ų4560.5 Ų60.521%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-89.8150.8173-56.7-56.3-21.900110.5D49 R51 K77 W78D49-Q53 PolarHBondContact OD2-NE2 2.73Å; R51-Q53 PolarHBondContact O-N 3.02Å; Q53-K77 CarbonylContact O-C 3.48Å; Q53-K77 VanDerWaalsContact O-CA 3.29Å; Q53-K77 WeakPolarHBondContact O-CA 2.86Å; Q53-W78 HydrophobicContact CB-CD2 4.12Å; Q53-W78 HydrophobicContact CB-CZ2 3.91Å; Q53-W78 HydrophobicContact CG-CH2 4.3Å; Q53-W78 HydrophobicContact CG-CZ2 4.15Å; Q53-W78 PolarHBondContact N-O 3.04Å; Q53-W78 PolarHBondContact O-N 3.18Å
54T94.2Very high91.7Very high70 Ų7060.3 Ų60.343%0.42931%0.309SS..EExtended strand (participates in β ladder)trans-114.5115.4175.6-510000108.5I76 K77T54-I76 WeakPolarHBondContact CA-O 3.42Å; T54-K77 HydrophobicContact CG2-CD 3.84Å; T54-K77 WeakPolarHBondContact OG1-CD 3.4Å; T54-K77 WeakPolarHBondContact OG1-CE 3.37Å; T54-K77 PolarHBondContact OG1-NZ 3.36Å
55M91.8Very high91.8Very high7 Ų762.7 Ų62.73%0.03431%0.312CS..EExtended strand (participates in β ladder)trans-98.9122.5170.6-175.4-167.981.500108.2N57 I76 E99 L102 K103M55-N57 HydrophobicContact CE-CB 4.4Å; M55-I76 HydrophobicContact CE-CB 4.38Å; M55-I76 HydrophobicContact CE-CD1 3.5Å; M55-I76 HydrophobicContact CE-CG1 4.1Å; M55-I76 PolarHBondContact N-O 3.11Å; M55-I76 PolarHBondContact O-N 3.34Å; M55-E99 HydrophobicContact CB-CG 4.29Å; M55-E99 HydrophobicContact CG-CB 4.17Å; M55-E99 HydrophobicContact CG-CG 3.86Å; M55-E99 HydrophobicContact SD-CB 3.83Å; M55-E99 HydrophobicContact SD-CG 3.97Å; M55-L102 HydrophobicContact CE-CD2 4.29Å; M55-L102 HydrophobicContact CE-CG 4.11Å; M55-L102 HydrophobicContact SD-CB 4.26Å; M55-L102 HydrophobicContact SD-CD2 3.96Å; M55-L102 HydrophobicContact SD-CG 4.05Å; M55-K103 HydrophobicContact CE-CB 4.06Å; M55-K103 HydrophobicContact SD-CB 4.18Å
56D86.6Confident91.8Very high99 Ų9965.1 Ų65.153%0.52932%0.322SS..EExtended strand (participates in β ladder)trans-90.5125.3178.6-154-7000112K194D56-K194 WeakPolarHBondContact OD1-CE 3.43Å; D56-K194 IonicContact OD1-NZ 2.93Å; D56-K194 PolarHBondContact OD1-NZ 2.94Å; D56-K194 IonicContact OD2-NZ 2.7Å; D56-K194 PolarHBondContact OD2-NZ 3.01Å
57N80.3Confident91.8Very high8 Ų869.2 Ų69.24%0.04334%0.339CS..PPolyproline II helixtrans-65.1133171.6-171.791.2000110.2M55 D60 S74 K103M55-N57 HydrophobicContact CE-CB 4.4Å; N57-D60 PolarHBondContact ND2-OD2 2.97Å; N57-S74 WeakPolarHBondContact CA-O 3.21Å; N57-S74 PolarHBondContact N-O 3.19Å; N57-K103 WeakPolarHBondContact OD1-CD 3.3Å; N57-K103 WeakPolarHBondContact OD1-CE 3.46Å; N57-K103 PolarHBondContact OD1-NZ 3.22Å
58Q86.1Confident91.7Very high146 Ų14670.6 Ų70.668%0.68234%0.344SS*.PPolyproline II helixtrans-76155.4151.8-73.1-175.879.700109.1D60Q58-D60 PolarHBondContact O-N 3.46Å; Q58-D60 VanDerWaalsContact O-N 3.16Å
59A90.3Very high91.6Very high56 Ų5672.4 Ų72.446%0.46335%0.353SS..PPolyproline II helixtrans-62.4118.6177.100000110.1I71 V72 D73A59-I71 HydrophobicContact CB-CG2 3.68Å; A59-V72 WeakPolarHBondContact CA-O 3.37Å; A59-D73 HydrophobicContact CB-CB 4.3Å
60D92.1Very high91.5Very high40 Ų4070.8 Ų70.821%0.21435%0.345CS..EExtended strand (participates in β ladder)trans-110.3151-177.9-77.5-45000110.3N57 Q58 F62 I71 V72N57-D60 PolarHBondContact ND2-OD2 2.97Å; Q58-D60 PolarHBondContact O-N 3.46Å; Q58-D60 VanDerWaalsContact O-N 3.16Å; D60-F62 HydrophobicContact CB-CD2 4.33Å; D60-F62 HydrophobicContact CB-CE2 3.47Å; D60-F62 VanDerWaalsContact CB-CE2 3.47Å; D60-F62 HydrophobicContact CB-CZ 3.74Å; D60-F62 WeakPolarHBondContact O-CD2 3.26Å; D60-I71 WeakPolarHBondContact O-CA 3.37Å; D60-V72 PolarHBondContact N-O 3.02Å; D60-V72 PolarHBondContact O-N 2.85Å
61R93.7Very high91.6Very high129 Ų12971.6 Ų71.649%0.48735%0.345SS..EExtended strand (participates in β ladder)trans-91.4129.2177.3-173173.2173.9166-0.2110.8D69 L70 I71R61-D69 HydrophobicContact CG-CB 4.45Å; R61-D69 IonicContact CZ-OD1 3.13Å; R61-D69 IonicContact CZ-OD2 3.68Å; R61-D69 IonicContact NE-OD1 3.19Å; R61-D69 PolarHBondContact NE-OD1 3.32Å; R61-D69 IonicContact NE-OD2 2.82Å; R61-D69 IonicContact NH2-OD1 2.73Å; R61-D69 PolarHBondContact NH2-OD1 3.3Å; R61-D69 IonicContact NH2-OD2 2.83Å; R61-D69 PolarHBondContact NH2-OD2 3.22Å; R61-L70 CarbonylContact C-O 3.52Å; R61-L70 WeakPolarHBondContact CA-O 3.33Å; R61-I71 HydrophobicContact CB-CD1 3.77Å; R61-I71 HydrophobicContact CG-CD1 3.96Å
62F94Very high91.4Very high2 Ų264 Ų641%0.00932%0.316CS..EExtended strand (participates in β ladder)trans-128.9149.6177.1-61-84.8000110.8D60 D69 L70 V72 L110 R111 I114D60-F62 HydrophobicContact CB-CD2 4.33Å; D60-F62 HydrophobicContact CB-CE2 3.47Å; D60-F62 VanDerWaalsContact CB-CE2 3.47Å; D60-F62 HydrophobicContact CB-CZ 3.74Å; D60-F62 WeakPolarHBondContact O-CD2 3.26Å; F62-D69 CarbonylContact O-C 3.56Å; F62-D69 WeakPolarHBondContact O-CA 3.36Å; F62-L70 PolarHBondContact N-O 3.14Å; F62-L70 PolarHBondContact O-N 3.43Å; F62-V72 HydrophobicContact CD2-CB 3.78Å; F62-V72 HydrophobicContact CD2-CG2 3.81Å; F62-V72 HydrophobicContact CE2-CB 3.92Å; F62-V72 HydrophobicContact CE2-CG2 4.44Å; F62-L110 HydrophobicContact CE1-CB 4.31Å; F62-L110 HydrophobicContact CE1-CD2 4.24Å; F62-L110 HydrophobicContact CE1-CG 4.19Å; F62-L110 HydrophobicContact CE2-CD2 3.74Å; F62-L110 HydrophobicContact CE2-CG 4.39Å; F62-L110 HydrophobicContact CZ-CB 4.37Å; F62-L110 HydrophobicContact CZ-CD2 3.57Å; F62-L110 HydrophobicContact CZ-CG 4.03Å; F62-R111 HydrophobicContact CD1-CB 3.84Å; F62-R111 HydrophobicContact CD1-CG 4.3Å; F62-R111 HydrophobicContact CE1-CB 3.96Å; F62-I114 HydrophobicContact CB-CB 4.37Å; F62-I114 HydrophobicContact CB-CD1 3.92Å; F62-I114 HydrophobicContact CB-CG2 3.79Å; F62-I114 HydrophobicContact CD1-CD1 4.34Å; F62-I114 HydrophobicContact CD2-CD1 3.98Å; F62-I114 HydrophobicContact CG-CD1 3.82Å
63V94.2Very high91.3Very high71 Ų7161.8 Ų61.843%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-107.3128.7176.9-177.10000108.2K68 D69 G115V63-K68 CarbonylContact C-O 3.54Å; V63-K68 WeakPolarHBondContact CA-O 3.18Å; V63-D69 WeakPolarHBondContact CG2-OD1 3.39Å; V63-G115 WeakPolarHBondContact O-CA 3.5Å
64T93.3Very high91.1Very high5 Ų559.6 Ų59.63%0.03130%0.295CS..  trans-81.7173177.170.60000112.3E66 K67 K68 L70 I114 L117 V119 I122T64-E66 PolarHBondContact O-N 2.84Å; T64-E66 PolarHBondContact OG1-N 3.34Å; T64-K67 WeakPolarHBondContact O-CA 3.36Å; T64-K67 PolarHBondContact O-N 2.72Å; T64-K68 PolarHBondContact N-O 2.78Å; T64-K68 PolarHBondContact OG1-N 2.93Å; T64-K68 PolarHBondContact OG1-O 3.35Å; T64-L70 HydrophobicContact CG2-CD1 3.36Å; T64-L70 HydrophobicContact CG2-CG 3.79Å; T64-I114 WeakPolarHBondContact CA-O 3.28Å; T64-I114 HydrophobicContact CG2-CG2 3.97Å; T64-L117 WeakPolarHBondContact CB-O 3.3Å; T64-V119 HydrophobicContact CG2-CG2 3.73Å; T64-I122 HydrophobicContact CG2-CD1 3.49Å; T64-I122 VanDerWaalsContact CG2-CD1 3.49Å
65K93.2Very high91.1Very high131 Ų13158.9 Ų58.957%0.5729%0.285SS*.THydrogen-bonded Turntrans-52.3-37.4173-178.6179.2173.7-173.90112.9K67 G115 R116 L117K65-K67 PolarHBondContact O-N 3.25Å; K65-K67 VanDerWaalsContact O-N 3.14Å; K65-G115 VanDerWaalsContact CA-O 3.26Å; K65-G115 WeakPolarHBondContact CA-O 3.22Å; K65-G115 WeakPolarHBondContact CB-O 3.26Å; K65-G115 PolarHBondContact N-O 3.05Å; K65-R116 WeakPolarHBondContact CD-O 3.49Å; K65-L117 WeakPolarHBondContact CB-O 3.41Å; K65-L117 PolarHBondContact N-O 2.96Å; K65-L117 VanDerWaalsContact N-O 3.15Å
66E90.8Very high91.3Very high80 Ų8058.5 Ų58.537%0.37428%0.283SS..THydrogen-bonded Turntrans-75.68.4178-53.3178.594.100113.6T64 K68 D118 V119T64-E66 PolarHBondContact O-N 2.84Å; T64-E66 PolarHBondContact OG1-N 3.34Å; E66-K68 HydrophobicContact CB-CD 4.09Å; E66-K68 HydrophobicContact CB-CG 4.12Å; E66-K68 PolarHBondContact O-N 2.92Å; E66-K68 IonicContact OE1-NZ 3.91Å; E66-K68 PolarHBondContact OE1-NZ 2.72Å; E66-K68 IonicContact OE2-NZ 3.15Å; E66-K68 PolarHBondContact OE2-NZ 2.86Å; E66-D118 HydrophobicContact CG-CB 4.07Å; E66-D118 WeakPolarHBondContact CG-OD1 3.22Å; E66-V119 WeakPolarHBondContact OE2-CG2 3.43Å; E66-V119 PolarHBondContact OE2-N 2.9Å
67K90.5Very high91.7Very high183 Ų18356.9 Ų56.980%0.79627%0.271SS*.SBendtrans57.732.9-173.7-55.7180178.6-179.90112.9T64 K65T64-K67 WeakPolarHBondContact O-CA 3.36Å; T64-K67 PolarHBondContact O-N 2.72Å; K65-K67 PolarHBondContact O-N 3.25Å; K65-K67 VanDerWaalsContact O-N 3.14Å
68K89.6Confident92.5Very high91 Ų9156.5 Ų56.540%0.39627%0.269SS..  trans-98.1134.7175.2-66.3172.6-172.5158.10109.6V63 T64 E66 V119V63-K68 CarbonylContact C-O 3.54Å; V63-K68 WeakPolarHBondContact CA-O 3.18Å; T64-K68 PolarHBondContact N-O 2.78Å; T64-K68 PolarHBondContact OG1-N 2.93Å; T64-K68 PolarHBondContact OG1-O 3.35Å; E66-K68 HydrophobicContact CB-CD 4.09Å; E66-K68 HydrophobicContact CB-CG 4.12Å; E66-K68 PolarHBondContact O-N 2.92Å; E66-K68 IonicContact OE1-NZ 3.91Å; E66-K68 PolarHBondContact OE1-NZ 2.72Å; E66-K68 IonicContact OE2-NZ 3.15Å; E66-K68 PolarHBondContact OE2-NZ 2.86Å; K68-V119 HydrophobicContact CB-CG2 3.89Å; K68-V119 HydrophobicContact CD-CB 4.46Å; K68-V119 HydrophobicContact CD-CG2 3.54Å; K68-V119 HydrophobicContact CG-CG2 4.35Å
69D92.4Very high92.9Very high44 Ų4454.5 Ų54.524%0.23526%0.255CS..EExtended strand (participates in β ladder)trans-80.3133.3173.9-70.8-72.3000111.2R61 F62 V63 P199R61-D69 HydrophobicContact CG-CB 4.45Å; R61-D69 IonicContact CZ-OD1 3.13Å; R61-D69 IonicContact CZ-OD2 3.68Å; R61-D69 IonicContact NE-OD1 3.19Å; R61-D69 PolarHBondContact NE-OD1 3.32Å; R61-D69 IonicContact NE-OD2 2.82Å; R61-D69 IonicContact NH2-OD1 2.73Å; R61-D69 PolarHBondContact NH2-OD1 3.3Å; R61-D69 IonicContact NH2-OD2 2.83Å; R61-D69 PolarHBondContact NH2-OD2 3.22Å; F62-D69 CarbonylContact O-C 3.56Å; F62-D69 WeakPolarHBondContact O-CA 3.36Å; V63-D69 WeakPolarHBondContact CG2-OD1 3.39Å; D69-P199 HydrophobicContact CB-CG 3.63Å; D69-P199 WeakPolarHBondContact O-CD 3.46Å
70L91.8Very high93.2Very high3 Ų352.4 Ų52.42%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-126.4138.5172.9-61.6179.7000109.3R61 F62 T64 V72 V119 I122 I196 N197 L198R61-L70 CarbonylContact C-O 3.52Å; R61-L70 WeakPolarHBondContact CA-O 3.33Å; F62-L70 PolarHBondContact N-O 3.14Å; F62-L70 PolarHBondContact O-N 3.43Å; T64-L70 HydrophobicContact CG2-CD1 3.36Å; T64-L70 HydrophobicContact CG2-CG 3.79Å; L70-V72 HydrophobicContact CB-CG2 4.15Å; L70-V119 HydrophobicContact CD1-CG2 4.27Å; L70-V119 HydrophobicContact CD2-CG1 4.32Å; L70-V119 HydrophobicContact CD2-CG2 4.28Å; L70-V119 HydrophobicContact CG-CG2 4.5Å; L70-I122 HydrophobicContact CD1-CD1 4.01Å; L70-I122 HydrophobicContact CD1-CG2 4.47Å; L70-I196 HydrophobicContact CB-CG2 4.12Å; L70-I196 HydrophobicContact CD1-CG2 3.91Å; L70-I196 HydrophobicContact CD2-CG2 4.06Å; L70-I196 HydrophobicContact CG-CG2 4.27Å; L70-N197 CarbonylContact C-O 3.6Å; L70-N197 WeakPolarHBondContact CA-O 3.28Å; L70-L198 HydrophobicContact CD2-CD2 3.99Å
71I92.8Very high93.1Very high46 Ų4653.4 Ų53.424%0.23625%0.246CC..EExtended strand (participates in β ladder)trans-95.1115.1168.1-57.7-58.4000107.2A59 D60 R61 I196 N197 P199A59-I71 HydrophobicContact CB-CG2 3.68Å; D60-I71 WeakPolarHBondContact O-CA 3.37Å; R61-I71 HydrophobicContact CB-CD1 3.77Å; R61-I71 HydrophobicContact CG-CD1 3.96Å; I71-I196 WeakPolarHBondContact O-CA 3.47Å; I71-N197 HydrophobicContact CB-CB 4.36Å; I71-N197 PolarHBondContact N-O 3.26Å; I71-N197 PolarHBondContact O-N 2.89Å; I71-P199 HydrophobicContact CD1-CG 4.31Å; I71-P199 HydrophobicContact CG1-CB 4.46Å; I71-P199 HydrophobicContact CG1-CG 4.14Å
72V92.4Very high93Very high0 Ų049.3 Ų49.30%023%0.234CC..EExtended strand (participates in β ladder)trans-116.3118.4-174.3-176.80000109.6A59 D60 F62 L70 L110 I114 I193 I196A59-V72 WeakPolarHBondContact CA-O 3.37Å; D60-V72 PolarHBondContact N-O 3.02Å; D60-V72 PolarHBondContact O-N 2.85Å; F62-V72 HydrophobicContact CD2-CB 3.78Å; F62-V72 HydrophobicContact CD2-CG2 3.81Å; F62-V72 HydrophobicContact CE2-CB 3.92Å; F62-V72 HydrophobicContact CE2-CG2 4.44Å; L70-V72 HydrophobicContact CB-CG2 4.15Å; V72-L110 HydrophobicContact CG1-CD2 4.33Å; V72-I114 HydrophobicContact CG2-CD1 3.93Å; V72-I193 HydrophobicContact CG1-CD1 4.42Å; V72-I193 HydrophobicContact CG1-CG1 4.24Å; V72-I193 HydrophobicContact CG1-CG2 3.9Å; V72-I196 HydrophobicContact CG1-CG1 4.49Å; V72-I196 HydrophobicContact CG2-CG1 4.4Å; V72-I196 HydrophobicContact CG2-CG2 4.38Å
73D92.9Very high92.9Very high41 Ų4150.2 Ų50.222%0.21924%0.238CC..EExtended strand (participates in β ladder)trans-97.4133.4170.1-174.8-1.1000108.8A59 I193 K194 Q195A59-D73 HydrophobicContact CB-CB 4.3Å; D73-I193 CarbonylContact O-C 3.6Å; D73-K194 HydrophobicContact CB-CB 4.25Å; D73-K194 PolarHBondContact O-N 3.29Å; D73-K194 WeakPolarHBondContact OD1-CD 3.38Å; D73-K194 IonicContact OD1-NZ 2.98Å; D73-K194 PolarHBondContact OD1-NZ 2.73Å; D73-K194 IonicContact OD2-NZ 3.86Å; D73-Q195 PolarHBondContact N-O 3.48Å; D73-Q195 PolarHBondContact O-N 3.48Å
74S91.1Very high92.6Very high0 Ų047 Ų470%022%0.218CC..EExtended strand (participates in β ladder)trans-149.1160.7-171.553.40000111.2N57 F106 R192N57-S74 WeakPolarHBondContact CA-O 3.21Å; N57-S74 PolarHBondContact N-O 3.19Å; S74-F106 WeakPolarHBondContact OG-CE1 3.12Å; S74-F106 VanDerWaalsContact OG-CZ 3.28Å; S74-F106 WeakPolarHBondContact OG-CZ 3.29Å; S74-R192 CarbonylContact C-O 3.56Å; S74-R192 WeakPolarHBondContact CA-O 3.47Å; S74-R192 VanDerWaalsContact CB-O 3.25Å; S74-R192 WeakPolarHBondContact CB-O 3.19Å
75Y93.7Very high92.4Very high54 Ų5450.6 Ų50.621%0.21223%0.231CC..EExtended strand (participates in β ladder)trans-138.3157.6171.170-95.8000110.8K77 R192 K194Y75-K77 HydrophobicContact CD2-CD 4.46Å; Y75-K77 HydrophobicContact CD2-CG 4.27Å; Y75-K77 HydrophobicContact CE2-CD 4.42Å; Y75-K77 HydrophobicContact CE2-CG 4.05Å; Y75-R192 HydrophobicContact CD1-CB 4.18Å; Y75-R192 HydrophobicContact CE1-CB 3.59Å; Y75-R192 HydrophobicContact CE1-CG 4.31Å; Y75-R192 HydrophobicContact CE2-CB 4.1Å; Y75-R192 HydrophobicContact CE2-CG 4.17Å; Y75-R192 PolarHBondContact N-O 2.82Å; Y75-R192 PolarHBondContact O-N 3.35Å; Y75-R192 WeakPolarHBondContact OH-CD 3.34Å; Y75-R192 PolarHBondContact OH-NE 2.77Å; Y75-K194 HydrophobicContact CD1-CD 4.32Å; Y75-K194 HydrophobicContact CD1-CG 3.69Å; Y75-K194 HydrophobicContact CE1-CG 4.25Å
76I94.7Very high92.3Very high0 Ų044.5 Ų44.50%021%0.205CC..EExtended strand (participates in β ladder)trans-126.6135.2-179.4-52.2179000109.4T54 M55 L102 F106 V188 V191T54-I76 WeakPolarHBondContact CA-O 3.42Å; M55-I76 HydrophobicContact CE-CB 4.38Å; M55-I76 HydrophobicContact CE-CD1 3.5Å; M55-I76 HydrophobicContact CE-CG1 4.1Å; M55-I76 PolarHBondContact N-O 3.11Å; M55-I76 PolarHBondContact O-N 3.34Å; I76-L102 HydrophobicContact CD1-CD1 4.2Å; I76-L102 HydrophobicContact CD1-CD2 4.5Å; I76-L102 HydrophobicContact CD1-CG 4.19Å; I76-L102 HydrophobicContact CG2-CD2 4.21Å; I76-F106 HydrophobicContact CD1-CB 3.57Å; I76-F106 HydrophobicContact CD1-CD1 3.73Å; I76-F106 HydrophobicContact CD1-CD2 3.5Å; I76-F106 HydrophobicContact CD1-CE1 4.26Å; I76-F106 HydrophobicContact CD1-CE2 4.07Å; I76-F106 HydrophobicContact CD1-CG 3.29Å; I76-F106 HydrophobicContact CD1-CZ 4.4Å; I76-F106 HydrophobicContact CG1-CD2 4.19Å; I76-F106 HydrophobicContact CG1-CE2 4.29Å; I76-F106 HydrophobicContact CG1-CG 4.3Å; I76-F106 HydrophobicContact CG1-CZ 4.47Å; I76-V188 HydrophobicContact CG2-CG1 3.53Å; I76-V191 HydrophobicContact CG1-CG2 4.44Å; I76-V191 HydrophobicContact CG2-CG2 4.2Å
77K96.2Very high92.3Very high64 Ų6443 Ų4328%0.27820%0.196SC..EExtended strand (participates in β ladder)trans-104.5121.8168.1-58-68.6179.4171.10107.9I52 Q53 T54 Y75 V189 D190I52-K77 HydrophobicContact CG2-CB 3.76Å; I52-K77 HydrophobicContact CG2-CD 4.35Å; Q53-K77 CarbonylContact O-C 3.48Å; Q53-K77 VanDerWaalsContact O-CA 3.29Å; Q53-K77 WeakPolarHBondContact O-CA 2.86Å; T54-K77 HydrophobicContact CG2-CD 3.84Å; T54-K77 WeakPolarHBondContact OG1-CD 3.4Å; T54-K77 WeakPolarHBondContact OG1-CE 3.37Å; T54-K77 PolarHBondContact OG1-NZ 3.36Å; Y75-K77 HydrophobicContact CD2-CD 4.46Å; Y75-K77 HydrophobicContact CD2-CG 4.27Å; Y75-K77 HydrophobicContact CE2-CD 4.42Å; Y75-K77 HydrophobicContact CE2-CG 4.05Å; K77-V189 HydrophobicContact CB-CB 4.42Å; K77-V189 PolarHBondContact O-N 3.42Å; K77-D190 HydrophobicContact CB-CB 3.98Å; K77-D190 HydrophobicContact CG-CB 4.14Å; K77-D190 PolarHBondContact N-O 3.19Å; K77-D190 PolarHBondContact O-N 3.49Å; K77-D190 VanDerWaalsContact O-N 3.11Å
78W96.6Very high92.3Very high1 Ų139.4 Ų39.40%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-137.4160.3-177.865.4-86.2000110.5I52 Q53 I80 Y86 I95 A98 E99 L102 I186 E187I52-W78 CarbonylContact C-O 3.52Å; I52-W78 WeakPolarHBondContact CA-O 3.17Å; Q53-W78 HydrophobicContact CB-CD2 4.12Å; Q53-W78 HydrophobicContact CB-CZ2 3.91Å; Q53-W78 HydrophobicContact CG-CH2 4.3Å; Q53-W78 HydrophobicContact CG-CZ2 4.15Å; Q53-W78 PolarHBondContact N-O 3.04Å; Q53-W78 PolarHBondContact O-N 3.18Å; W78-I80 HydrophobicContact CZ3-CG1 3.95Å; W78-Y86 AromaticContact CH2-CE2 3.98Å; W78-Y86 HydrophobicContact CH2-CE2 3.98Å; W78-Y86 AromaticContact CZ3-CE2 3.83Å; W78-Y86 HydrophobicContact CZ3-CE2 3.83Å; W78-I95 HydrophobicContact CZ2-CG2 4.27Å; W78-A98 HydrophobicContact CH2-CB 4.15Å; W78-E99 HydrophobicContact CZ2-CG 4.22Å; W78-L102 HydrophobicContact CB-CD2 4.17Å; W78-L102 VanDerWaalsContact CD1-CD2 3.48Å; W78-L102 HydrophobicContact CD2-CD2 4.3Å; W78-L102 HydrophobicContact CG-CD2 3.73Å; W78-I186 HydrophobicContact CB-CG2 3.94Å; W78-I186 HydrophobicContact CD2-CG2 4.14Å; W78-I186 HydrophobicContact CE3-CB 4.44Å; W78-I186 HydrophobicContact CE3-CD1 4.31Å; W78-I186 HydrophobicContact CE3-CG1 4.09Å; W78-I186 HydrophobicContact CE3-CG2 3.63Å; W78-I186 HydrophobicContact CG-CG2 4.31Å; W78-I186 HydrophobicContact CZ3-CD1 4.21Å; W78-I186 HydrophobicContact CZ3-CG1 4.09Å; W78-I186 HydrophobicContact CZ3-CG2 4.46Å; W78-E187 CarbonylContact C-O 3.57Å; W78-E187 VanDerWaalsContact CA-O 3.24Å; W78-E187 WeakPolarHBondContact CA-O 3.44Å; W78-E187 WeakPolarHBondContact CB-O 3.42Å
79R95.6Very high92.2Very high104 Ų10437 Ų3739%0.39218%0.182SC..EExtended strand (participates in β ladder)trans-141.4162.8173.366.5178.8-179.2-179.1-4.4110I52 E187 V189I52-R79 HydrophobicContact CG1-CB 4.38Å; R79-E187 HydrophobicContact CG-CB 4.25Å; R79-E187 IonicContact CZ-OE1 2.79Å; R79-E187 IonicContact CZ-OE2 3.66Å; R79-E187 PolarHBondContact N-O 3.45Å; R79-E187 IonicContact NE-OE1 2.8Å; R79-E187 IonicContact NE-OE2 3.35Å; R79-E187 PolarHBondContact NE-OE2 2.93Å; R79-E187 IonicContact NH2-OE1 2.61Å; R79-E187 PolarHBondContact NH2-OE1 3.46Å; R79-E187 VanDerWaalsContact NH2-OE1 3.15Å; R79-E187 IonicContact NH2-OE2 3.48Å; R79-E187 PolarHBondContact NH2-OE2 3.43Å; R79-E187 PolarHBondContact O-N 3.33Å; R79-V189 HydrophobicContact CB-CG2 4.48Å; R79-V189 HydrophobicContact CG-CG2 3.91Å
80I94.7Very high92.1Very high12 Ų1235 Ų356%0.06217%0.171CC..EExtended strand (participates in β ladder)trans-79.1123.2173.2-57.2173.4000108.5L48 D49 W78 F83 Y86L48-I80 HydrophobicContact CB-CD1 4.26Å; D49-I80 WeakPolarHBondContact O-CD1 3.25Å; W78-I80 HydrophobicContact CZ3-CG1 3.95Å; I80-F83 HydrophobicContact CB-CD1 4.09Å; I80-F83 HydrophobicContact CB-CE1 3.73Å; I80-F83 HydrophobicContact CB-CE2 4.48Å; I80-F83 HydrophobicContact CB-CZ 3.92Å; I80-F83 HydrophobicContact CD1-CD1 4.16Å; I80-F83 HydrophobicContact CD1-CE1 4.02Å; I80-F83 HydrophobicContact CG1-CE1 4.46Å; I80-F83 HydrophobicContact CG2-CB 4.26Å; I80-F83 HydrophobicContact CG2-CD1 3.52Å; I80-F83 HydrophobicContact CG2-CD2 4.03Å; I80-F83 HydrophobicContact CG2-CE1 3.68Å; I80-F83 HydrophobicContact CG2-CE2 4.12Å; I80-F83 HydrophobicContact CG2-CG 3.7Å; I80-F83 HydrophobicContact CG2-CZ 3.95Å; I80-Y86 HydrophobicContact CD1-CD1 3.54Å; I80-Y86 HydrophobicContact CD1-CD2 4.26Å; I80-Y86 HydrophobicContact CD1-CE1 3.48Å; I80-Y86 VanDerWaalsContact CD1-CE1 3.48Å; I80-Y86 HydrophobicContact CD1-CE2 4.19Å; I80-Y86 HydrophobicContact CD1-CG 3.94Å; I80-Y86 HydrophobicContact CG1-CD1 4.14Å; I80-Y86 HydrophobicContact CG1-CD2 3.98Å; I80-Y86 HydrophobicContact CG1-CE1 4.23Å; I80-Y86 HydrophobicContact CG1-CE2 4.05Å; I80-Y86 HydrophobicContact CG1-CG 4.01Å; I80-Y86 HydrophobicContact CG2-CD1 4.45Å; I80-Y86 HydrophobicContact CG2-CG 4.02Å
81S91.9Very high91.8Very high60 Ų6038.3 Ų38.342%0.4221%0.206SC..SBendtrans-98.6-38.9174.757.40000112G185S81-G185 PolarHBondContact N-O 3.14Å; S81-G185 PolarHBondContact OG-O 2.83Å
82D90.9Very high91.5Very high43 Ų4337 Ų3723%0.2320%0.204CC..  trans-124.7100.6174.1-174.3-34.3000109.7S84 R85 Y86 G185D82-S84 PolarHBondContact O-N 3.32Å; D82-S84 PolarHBondContact OD1-N 3.39Å; D82-R85 HydrophobicContact CB-CB 4.02Å; D82-R85 PolarHBondContact O-N 2.9Å; D82-R85 PolarHBondContact OD1-N 3.07Å; D82-R85 IonicContact OD2-CZ 3.59Å; D82-R85 IonicContact OD2-NH1 3.57Å; D82-R85 PolarHBondContact OD2-NH1 2.87Å; D82-R85 IonicContact OD2-NH2 3.13Å; D82-R85 PolarHBondContact OD2-NH2 3.03Å; D82-Y86 WeakPolarHBondContact O-CB 3.38Å; D82-Y86 PolarHBondContact O-N 2.69Å; D82-G185 PolarHBondContact N-O 3.05Å; D82-G185 VanDerWaalsContact N-O 3.14Å
83F90.8Very high91.3Very high21 Ų2137.4 Ų37.49%0.09221%0.208CC..Hα-helixtrans-62.4-28.1-176-68.3-90000113.6R11 V30 L48 A50 I80 Y87R11-F83 HydrophobicContact CB-CD1 3.82Å; R11-F83 HydrophobicContact CB-CD2 4.22Å; R11-F83 HydrophobicContact CB-CE1 3.74Å; R11-F83 HydrophobicContact CB-CE2 4.19Å; R11-F83 HydrophobicContact CB-CG 4.06Å; R11-F83 HydrophobicContact CB-CZ 3.96Å; R11-F83 HydrophobicContact CG-CD1 4.21Å; R11-F83 HydrophobicContact CG-CD2 4.03Å; R11-F83 HydrophobicContact CG-CE1 3.74Å; R11-F83 HydrophobicContact CG-CE2 3.58Å; R11-F83 HydrophobicContact CG-CG 4.35Å; R11-F83 HydrophobicContact CG-CZ 3.41Å; R11-F83 VanDerWaalsContact CG-CZ 3.41Å; V30-F83 HydrophobicContact CG1-CB 4.2Å; V30-F83 HydrophobicContact CG1-CD2 4.26Å; V30-F83 HydrophobicContact CG1-CG 4.3Å; V30-F83 HydrophobicContact CG2-CB 4.22Å; L48-F83 HydrophobicContact CB-CD1 3.7Å; L48-F83 HydrophobicContact CB-CE1 4.1Å; L48-F83 HydrophobicContact CD1-CB 4.09Å; L48-F83 HydrophobicContact CD1-CD1 3.92Å; L48-F83 HydrophobicContact CG-CD1 4.47Å; A50-F83 HydrophobicContact CB-CE1 4.06Å; A50-F83 HydrophobicContact CB-CZ 3.58Å; I80-F83 HydrophobicContact CB-CD1 4.09Å; I80-F83 HydrophobicContact CB-CE1 3.73Å; I80-F83 HydrophobicContact CB-CE2 4.48Å; I80-F83 HydrophobicContact CB-CZ 3.92Å; I80-F83 HydrophobicContact CD1-CD1 4.16Å; I80-F83 HydrophobicContact CD1-CE1 4.02Å; I80-F83 HydrophobicContact CG1-CE1 4.46Å; I80-F83 HydrophobicContact CG2-CB 4.26Å; I80-F83 HydrophobicContact CG2-CD1 3.52Å; I80-F83 HydrophobicContact CG2-CD2 4.03Å; I80-F83 HydrophobicContact CG2-CE1 3.68Å; I80-F83 HydrophobicContact CG2-CE2 4.12Å; I80-F83 HydrophobicContact CG2-CG 3.7Å; I80-F83 HydrophobicContact CG2-CZ 3.95Å; F83-Y87 VanDerWaalsContact O-CB 3.28Å; F83-Y87 WeakPolarHBondContact O-CB 3.42Å; F83-Y87 PolarHBondContact O-N 3.41Å
84S89Confident91.2Very high3 Ų338.8 Ų38.82%0.02122%0.216CC..Hα-helixtrans-83.5-42.4-177.8-64.80000111.7I13 P28 D82 Y86 Y87 L88I13-S84 WeakPolarHBondContact CD1-OG 3.34Å; P28-S84 WeakPolarHBondContact CB-OG 3.04Å; P28-S84 VanDerWaalsContact CG-CB 3.47Å; D82-S84 PolarHBondContact O-N 3.32Å; D82-S84 PolarHBondContact OD1-N 3.39Å; S84-Y86 VanDerWaalsContact C-N 3.3Å; S84-Y87 PolarHBondContact O-N 3.05Å; S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 VanDerWaalsContact O-CG 3.28Å; S84-L88 WeakPolarHBondContact O-CG 3.29Å; S84-L88 PolarHBondContact O-N 3.28Å
85R88.6Confident91.1Very high82 Ų8242.3 Ų42.331%0.30923%0.234SC..Hα-helixtrans-63.2-41.8170.7-163.2178.9-58.1102.417.9110.8D82 L88 A89 I176 A182 A183D82-R85 HydrophobicContact CB-CB 4.02Å; D82-R85 PolarHBondContact O-N 2.9Å; D82-R85 PolarHBondContact OD1-N 3.07Å; D82-R85 IonicContact OD2-CZ 3.59Å; D82-R85 IonicContact OD2-NH1 3.57Å; D82-R85 PolarHBondContact OD2-NH1 2.87Å; D82-R85 IonicContact OD2-NH2 3.13Å; D82-R85 PolarHBondContact OD2-NH2 3.03Å; R85-L88 PolarHBondContact O-N 2.88Å; R85-A89 WeakPolarHBondContact O-CB 3.5Å; R85-A89 PolarHBondContact O-N 2.71Å; R85-I176 VanDerWaalsContact NH1-CD1 3.33Å; R85-A182 VanDerWaalsContact CD-O 3.25Å; R85-A182 WeakPolarHBondContact CD-O 3.45Å; R85-A182 PolarHBondContact NH1-O 3.11Å; R85-A182 VanDerWaalsContact NH1-O 3.07Å; R85-A183 VanDerWaalsContact CD-C 3.48Å; R85-A183 WeakPolarHBondContact CD-O 3.19Å; R85-A183 WeakPolarHBondContact CG-O 3.32Å
86Y92.4Very high91Very high2 Ų243.2 Ų43.21%0.00825%0.248CC..Hα-helixtrans-57.1-53.1173.5179.4-96.4000112L48 W78 I80 D82 S84 L88 A89 T90 A98 L184 I186L48-Y86 HydrophobicContact CD1-CD1 4.26Å; L48-Y86 HydrophobicContact CD2-CE1 4.36Å; W78-Y86 AromaticContact CH2-CE2 3.98Å; W78-Y86 HydrophobicContact CH2-CE2 3.98Å; W78-Y86 AromaticContact CZ3-CE2 3.83Å; W78-Y86 HydrophobicContact CZ3-CE2 3.83Å; I80-Y86 HydrophobicContact CD1-CD1 3.54Å; I80-Y86 HydrophobicContact CD1-CD2 4.26Å; I80-Y86 HydrophobicContact CD1-CE1 3.48Å; I80-Y86 VanDerWaalsContact CD1-CE1 3.48Å; I80-Y86 HydrophobicContact CD1-CE2 4.19Å; I80-Y86 HydrophobicContact CD1-CG 3.94Å; I80-Y86 HydrophobicContact CG1-CD1 4.14Å; I80-Y86 HydrophobicContact CG1-CD2 3.98Å; I80-Y86 HydrophobicContact CG1-CE1 4.23Å; I80-Y86 HydrophobicContact CG1-CE2 4.05Å; I80-Y86 HydrophobicContact CG1-CG 4.01Å; I80-Y86 HydrophobicContact CG2-CD1 4.45Å; I80-Y86 HydrophobicContact CG2-CG 4.02Å; D82-Y86 WeakPolarHBondContact O-CB 3.38Å; D82-Y86 PolarHBondContact O-N 2.69Å; S84-Y86 VanDerWaalsContact C-N 3.3Å; Y86-L88 VanDerWaalsContact C-N 3.29Å; Y86-L88 PolarHBondContact O-N 3.34Å; Y86-A89 PolarHBondContact O-N 2.69Å; Y86-T90 HydrophobicContact CD2-CG2 3.82Å; Y86-T90 HydrophobicContact CE2-CG2 3.73Å; Y86-T90 HydrophobicContact CG-CG2 4.35Å; Y86-T90 WeakPolarHBondContact O-CB 3.24Å; Y86-T90 WeakPolarHBondContact O-CG2 2.95Å; Y86-T90 PolarHBondContact O-N 2.94Å; Y86-T90 PolarHBondContact O-OG1 3.25Å; Y86-A98 HydrophobicContact CE2-CB 3.53Å; Y86-A98 WeakPolarHBondContact OH-CB 3.31Å; Y86-L184 WeakPolarHBondContact CA-O 3.44Å; Y86-I186 HydrophobicContact CD2-CD1 4.04Å; Y86-I186 HydrophobicContact CD2-CG1 3.67Å; Y86-I186 HydrophobicContact CE2-CD1 3.94Å; Y86-I186 HydrophobicContact CE2-CG1 3.95Å
87Y90.9Very high90.9Very high49 Ų4947.7 Ų47.719%0.19227%0.269CS..Hα-helixtrans-55.6-44.6178.7-177.6-87.1000112.3I13 L15 V20 K46 F83 S84 G92 G93I13-Y87 HydrophobicContact CD1-CD1 4.39Å; I13-Y87 HydrophobicContact CD1-CG 3.96Å; I13-Y87 HydrophobicContact CG2-CD2 3.95Å; I13-Y87 HydrophobicContact CG2-CE2 4.49Å; I13-Y87 HydrophobicContact CG2-CG 4.36Å; L15-Y87 HydrophobicContact CD1-CE2 4.34Å; L15-Y87 HydrophobicContact CD2-CD1 4.28Å; L15-Y87 HydrophobicContact CD2-CE1 3.4Å; L15-Y87 HydrophobicContact CD2-CE2 4.23Å; L15-Y87 VanDerWaalsContact CD2-OH 3.23Å; L15-Y87 WeakPolarHBondContact CD2-OH 3.21Å; V20-Y87 HydrophobicContact CG2-CD1 3.83Å; V20-Y87 HydrophobicContact CG2-CE1 4.34Å; K46-Y87 HydrophobicContact CB-CE2 4.27Å; K46-Y87 HydrophobicContact CG-CD2 4.36Å; K46-Y87 HydrophobicContact CG-CE2 4.07Å; F83-Y87 VanDerWaalsContact O-CB 3.28Å; F83-Y87 WeakPolarHBondContact O-CB 3.42Å; F83-Y87 PolarHBondContact O-N 3.41Å; S84-Y87 PolarHBondContact O-N 3.05Å; Y87-G92 WeakPolarHBondContact CD2-O 3.22Å; Y87-G92 VanDerWaalsContact CE2-CA 3.43Å; Y87-G92 WeakPolarHBondContact CE2-O 3.39Å; Y87-G92 WeakPolarHBondContact O-CA 3.36Å; Y87-G92 PolarHBondContact O-N 2.85Å; Y87-G93 PolarHBondContact O-N 2.98Å
88L88.8Confident90.7Very high107 Ų10744.6 Ų44.656%0.5626%0.255SS*.Hα-helixtrans-71.8-40.7-179-66.8174000113V20 S84 R85 Y86V20-L88 HydrophobicContact CG2-CD2 3.93Å; V20-L88 HydrophobicContact CG2-CG 4.16Å; S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 VanDerWaalsContact O-CG 3.28Å; S84-L88 WeakPolarHBondContact O-CG 3.29Å; S84-L88 PolarHBondContact O-N 3.28Å; R85-L88 PolarHBondContact O-N 2.88Å; Y86-L88 VanDerWaalsContact C-N 3.29Å; Y86-L88 PolarHBondContact O-N 3.34Å
89A88Confident90.5Very high40 Ų4047.4 Ų47.433%0.33127%0.268SS..Hα-helixtrans-78-22.7-175.500000113.6R85 Y86 L184R85-A89 WeakPolarHBondContact O-CB 3.5Å; R85-A89 PolarHBondContact O-N 2.71Å; Y86-A89 PolarHBondContact O-N 2.69Å; A89-L184 HydrophobicContact CB-CD2 3.82Å
90T89.6Confident90.3Very high3 Ų346.8 Ų46.82%0.01828%0.276CS..THydrogen-bonded Turntrans-10613.2-175.463.50000113.3Y86 G93 D94 A98Y86-T90 HydrophobicContact CD2-CG2 3.82Å; Y86-T90 HydrophobicContact CE2-CG2 3.73Å; Y86-T90 HydrophobicContact CG-CG2 4.35Å; Y86-T90 WeakPolarHBondContact O-CB 3.24Å; Y86-T90 WeakPolarHBondContact O-CG2 2.95Å; Y86-T90 PolarHBondContact O-N 2.94Å; Y86-T90 PolarHBondContact O-OG1 3.25Å; T90-G93 WeakPolarHBondContact OG1-CA 3.45Å; T90-G93 PolarHBondContact OG1-N 2.85Å; T90-G93 VanDerWaalsContact OG1-N 3.15Å; T90-D94 PolarHBondContact OG1-N 3.06Å; T90-A98 HydrophobicContact CG2-CB 3.72Å
91G86.5Confident90.1Very high72 Ų7247.8 Ų47.874%0.74228%0.281SS*.THydrogen-bonded Turntrans70.636.2177.200000114.1
92G86.8Confident90.1Very high18 Ų1844.9 Ų44.919%0.18626%0.261CS..THydrogen-bonded Turntrans110.519.5177.600000115Y87Y87-G92 WeakPolarHBondContact CD2-O 3.22Å; Y87-G92 VanDerWaalsContact CE2-CA 3.43Å; Y87-G92 WeakPolarHBondContact CE2-O 3.39Å; Y87-G92 WeakPolarHBondContact O-CA 3.36Å; Y87-G92 PolarHBondContact O-N 2.85Å
93G87.1Confident90.2Very high9 Ų946.2 Ų46.29%0.09327%0.265CS..THydrogen-bonded Turntrans8032.3-177.400000112.9Y87 T90Y87-G93 PolarHBondContact O-N 2.98Å; T90-G93 WeakPolarHBondContact OG1-CA 3.45Å; T90-G93 PolarHBondContact OG1-N 2.85Å; T90-G93 VanDerWaalsContact OG1-N 3.15Å
94D90.6Very high90.2Very high71 Ų7152.2 Ų52.238%0.3829%0.287SS..  trans-78.2119176.5-175.10.3000110.3T90 S96 Q97 A98T90-D94 PolarHBondContact OG1-N 3.06Å; D94-S96 VanDerWaalsContact C-N 3.29Å; D94-S96 PolarHBondContact O-N 3.23Å; D94-S96 PolarHBondContact OD1-N 2.79Å; D94-Q97 HydrophobicContact CB-CB 4.19Å; D94-Q97 HydrophobicContact CB-CG 4.01Å; D94-Q97 PolarHBondContact O-N 3.41Å; D94-A98 PolarHBondContact O-N 2.73Å
95I91Very high90.3Very high74 Ų7453.8 Ų53.838%0.37929%0.293SS..Hα-helixtrans-62.2-39.2178.5-63.1171.2000110.4W78 Q97 A98 E99W78-I95 HydrophobicContact CZ2-CG2 4.27Å; I95-Q97 PolarHBondContact O-N 2.82Å; I95-A98 WeakPolarHBondContact O-CB 3.36Å; I95-A98 PolarHBondContact O-N 3.31Å; I95-E99 HydrophobicContact CG2-CG 4.22Å; I95-E99 WeakPolarHBondContact O-CB 3.5Å; I95-E99 WeakPolarHBondContact O-CG 3.09Å; I95-E99 PolarHBondContact O-N 3.36Å
96S91.7Very high90.5Very high72 Ų7250 Ų5050%0.50328%0.279SS..Hα-helixtrans-65-39.5-179.5-62.30000111.8D94 E99 V100D94-S96 VanDerWaalsContact C-N 3.29Å; D94-S96 PolarHBondContact O-N 3.23Å; D94-S96 PolarHBondContact OD1-N 2.79Å; S96-E99 PolarHBondContact O-N 3.37Å; S96-V100 VanDerWaalsContact O-CG2 3.26Å; S96-V100 WeakPolarHBondContact O-CG2 3.47Å; S96-V100 PolarHBondContact O-N 3.29Å
97Q92.4Very high90.4Very high94 Ų9450.7 Ų50.744%0.43928%0.284SS..Hα-helixtrans-67.1-41.9174.1-66-58.2-40.600111.8D94 I95 E99 V100 L101D94-Q97 HydrophobicContact CB-CB 4.19Å; D94-Q97 HydrophobicContact CB-CG 4.01Å; D94-Q97 PolarHBondContact O-N 3.41Å; I95-Q97 PolarHBondContact O-N 2.82Å; Q97-E99 VanDerWaalsContact C-N 3.33Å; Q97-E99 PolarHBondContact O-N 3.39Å; Q97-V100 PolarHBondContact O-N 3.34Å; Q97-L101 WeakPolarHBondContact O-CG 3.29Å; Q97-L101 PolarHBondContact O-N 3.15Å
98A91.4Very high90.5Very high0 Ų052.4 Ų52.40%030%0.297CS..Hα-helixtrans-57-47.1174.700000111.7W78 Y86 T90 D94 I95 L101 L102 I186W78-A98 HydrophobicContact CH2-CB 4.15Å; Y86-A98 HydrophobicContact CE2-CB 3.53Å; Y86-A98 WeakPolarHBondContact OH-CB 3.31Å; T90-A98 HydrophobicContact CG2-CB 3.72Å; D94-A98 PolarHBondContact O-N 2.73Å; I95-A98 WeakPolarHBondContact O-CB 3.36Å; I95-A98 PolarHBondContact O-N 3.31Å; A98-L101 PolarHBondContact O-N 2.79Å; A98-L102 VanDerWaalsContact O-CB 3.29Å; A98-L102 WeakPolarHBondContact O-CB 3.31Å; A98-L102 PolarHBondContact O-N 3.31Å; A98-I186 HydrophobicContact CB-CD1 4Å
99E92Very high90.6Very high60 Ų6048.8 Ų48.828%0.2828%0.276SS..Hα-helixtrans-66.8-38.7179.4-73.2-173.5163.700112.4M55 W78 I95 S96 Q97 L101 L102 K103M55-E99 HydrophobicContact CB-CG 4.29Å; M55-E99 HydrophobicContact CG-CB 4.17Å; M55-E99 HydrophobicContact CG-CG 3.86Å; M55-E99 HydrophobicContact SD-CB 3.83Å; M55-E99 HydrophobicContact SD-CG 3.97Å; W78-E99 HydrophobicContact CZ2-CG 4.22Å; I95-E99 HydrophobicContact CG2-CG 4.22Å; I95-E99 WeakPolarHBondContact O-CB 3.5Å; I95-E99 WeakPolarHBondContact O-CG 3.09Å; I95-E99 PolarHBondContact O-N 3.36Å; S96-E99 PolarHBondContact O-N 3.37Å; Q97-E99 VanDerWaalsContact C-N 3.33Å; Q97-E99 PolarHBondContact O-N 3.39Å; E99-L101 PolarHBondContact O-N 2.66Å; E99-L102 PolarHBondContact O-N 3.01Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 PolarHBondContact O-N 3.19Å
100V92.3Very high90.8Very high90 Ų9047 Ų4755%0.54526%0.261SS..Hα-helixtrans-60.6-45.9173.8167.90000111.1S96 Q97 R104S96-V100 VanDerWaalsContact O-CG2 3.26Å; S96-V100 WeakPolarHBondContact O-CG2 3.47Å; S96-V100 PolarHBondContact O-N 3.29Å; Q97-V100 PolarHBondContact O-N 3.34Å; V100-R104 PolarHBondContact O-N 2.88Å; V100-R104 VanDerWaalsContact O-N 3.11Å
101L90.3Very high90.9Very high33 Ų3351.9 Ų51.917%0.17328%0.279CS..Hα-helixtrans-67-42.6178.7-66.8174.4000112.1Q97 A98 E99 K105 L184Q97-L101 WeakPolarHBondContact O-CG 3.29Å; Q97-L101 PolarHBondContact O-N 3.15Å; A98-L101 PolarHBondContact O-N 2.79Å; E99-L101 PolarHBondContact O-N 2.66Å; L101-K105 PolarHBondContact O-N 2.9Å; L101-K105 VanDerWaalsContact O-N 3.15Å; L101-L184 HydrophobicContact CB-CD1 3.71Å; L101-L184 HydrophobicContact CD1-CD1 4.14Å; L101-L184 HydrophobicContact CD1-CD2 3.86Å
102L91.6Very high91.2Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-63.9-47.9176.617456.6000111M55 I76 W78 A98 E99 R104 K105 F106 M181 V188M55-L102 HydrophobicContact CE-CD2 4.29Å; M55-L102 HydrophobicContact CE-CG 4.11Å; M55-L102 HydrophobicContact SD-CB 4.26Å; M55-L102 HydrophobicContact SD-CD2 3.96Å; M55-L102 HydrophobicContact SD-CG 4.05Å; I76-L102 HydrophobicContact CD1-CD1 4.2Å; I76-L102 HydrophobicContact CD1-CD2 4.5Å; I76-L102 HydrophobicContact CD1-CG 4.19Å; I76-L102 HydrophobicContact CG2-CD2 4.21Å; W78-L102 HydrophobicContact CB-CD2 4.17Å; W78-L102 VanDerWaalsContact CD1-CD2 3.48Å; W78-L102 HydrophobicContact CD2-CD2 4.3Å; W78-L102 HydrophobicContact CG-CD2 3.73Å; A98-L102 VanDerWaalsContact O-CB 3.29Å; A98-L102 WeakPolarHBondContact O-CB 3.31Å; A98-L102 PolarHBondContact O-N 3.31Å; E99-L102 PolarHBondContact O-N 3.01Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 2.64Å; L102-K105 PolarHBondContact O-N 2.92Å; L102-F106 WeakPolarHBondContact O-CB 3.48Å; L102-F106 PolarHBondContact O-N 3.06Å; L102-M181 HydrophobicContact CB-CE 3.82Å; L102-M181 HydrophobicContact CB-SD 4.45Å; L102-M181 HydrophobicContact CD1-CE 3.54Å; L102-M181 HydrophobicContact CD1-CG 4.11Å; L102-M181 HydrophobicContact CD1-SD 3.56Å; L102-M181 VanDerWaalsContact CD1-SD 3.56Å; L102-M181 HydrophobicContact CG-CE 4.15Å; L102-V188 HydrophobicContact CD1-CG2 4.12Å
103K92Very high91.3Very high71 Ų7150.4 Ų50.431%0.30925%0.252SS..Hα-helixtrans-57.4-43.1178.2176.7169.8168.8155.20111.7M55 N57 E99 S107M55-K103 HydrophobicContact CE-CB 4.06Å; M55-K103 HydrophobicContact SD-CB 4.18Å; N57-K103 WeakPolarHBondContact OD1-CD 3.3Å; N57-K103 WeakPolarHBondContact OD1-CE 3.46Å; N57-K103 PolarHBondContact OD1-NZ 3.22Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 PolarHBondContact O-N 3.19Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.28Å; K103-S107 PolarHBondContact O-N 2.86Å
104R91.6Very high91.5Very high146 Ų14650 Ų5055%0.55125%0.248SC*.Hα-helixtrans-61.2-55.8176.3-175.7177.564.6-172.3-0.4111.5V100 L102 F106 S107 D108V100-R104 PolarHBondContact O-N 2.88Å; V100-R104 VanDerWaalsContact O-N 3.11Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 2.64Å; R104-F106 VanDerWaalsContact C-N 3.3Å; R104-F106 PolarHBondContact O-N 2.87Å; R104-S107 PolarHBondContact O-N 3.43Å; R104-D108 VanDerWaalsContact O-CG 3.31Å; R104-D108 PolarHBondContact O-N 3.28Å
105K90.9Very high91.6Very high37 Ų3748.1 Ų48.116%0.16125%0.246CC..Hα-helixtrans-59.7-40.6-179.7-73176.5178.9-71.20112.1L101 L102 R109 L138 N179 M181 L184L101-K105 PolarHBondContact O-N 2.9Å; L101-K105 VanDerWaalsContact O-N 3.15Å; L102-K105 PolarHBondContact O-N 2.92Å; K105-R109 WeakPolarHBondContact O-CB 3.49Å; K105-R109 PolarHBondContact O-N 3.4Å; K105-L138 HydrophobicContact CB-CD2 3.96Å; K105-N179 VanDerWaalsContact NZ-C 3.32Å; K105-N179 PolarHBondContact NZ-O 3.15Å; K105-M181 HydrophobicContact CB-SD 4.27Å; K105-M181 HydrophobicContact CD-SD 3.58Å; K105-M181 VanDerWaalsContact CD-SD 3.58Å; K105-L184 HydrophobicContact CD-CD1 4.31Å
106F92.3Very high91.7Very high1 Ų149.2 Ų49.20%0.00425%0.245CC..Hα-helixtrans-63.2-48.3175168.9-106.9000112.2S74 I76 L102 R104 D108 R109 L110 V134 L138 V191S74-F106 WeakPolarHBondContact OG-CE1 3.12Å; S74-F106 VanDerWaalsContact OG-CZ 3.28Å; S74-F106 WeakPolarHBondContact OG-CZ 3.29Å; I76-F106 HydrophobicContact CD1-CB 3.57Å; I76-F106 HydrophobicContact CD1-CD1 3.73Å; I76-F106 HydrophobicContact CD1-CD2 3.5Å; I76-F106 HydrophobicContact CD1-CE1 4.26Å; I76-F106 HydrophobicContact CD1-CE2 4.07Å; I76-F106 HydrophobicContact CD1-CG 3.29Å; I76-F106 HydrophobicContact CD1-CZ 4.4Å; I76-F106 HydrophobicContact CG1-CD2 4.19Å; I76-F106 HydrophobicContact CG1-CE2 4.29Å; I76-F106 HydrophobicContact CG1-CG 4.3Å; I76-F106 HydrophobicContact CG1-CZ 4.47Å; L102-F106 WeakPolarHBondContact O-CB 3.48Å; L102-F106 PolarHBondContact O-N 3.06Å; R104-F106 VanDerWaalsContact C-N 3.3Å; R104-F106 PolarHBondContact O-N 2.87Å; F106-D108 VanDerWaalsContact C-N 3.3Å; F106-D108 PolarHBondContact O-N 3.07Å; F106-R109 PolarHBondContact O-N 2.83Å; F106-L110 HydrophobicContact CE1-CD2 3.92Å; F106-L110 HydrophobicContact CE2-CB 4.3Å; F106-L110 HydrophobicContact CE2-CD2 4.25Å; F106-L110 HydrophobicContact CZ-CB 4.38Å; F106-L110 HydrophobicContact CZ-CD2 3.59Å; F106-L110 HydrophobicContact CZ-CG 4.46Å; F106-L110 WeakPolarHBondContact O-CB 3.29Å; F106-L110 PolarHBondContact O-N 3.42Å; F106-V134 HydrophobicContact CD2-CG1 3.78Å; F106-V134 HydrophobicContact CE2-CG1 3.83Å; F106-L138 HydrophobicContact CB-CD1 4.19Å; F106-L138 HydrophobicContact CD2-CD1 3.98Å; F106-V191 HydrophobicContact CD2-CG1 4.3Å; F106-V191 HydrophobicContact CE2-CG1 3.5Å; F106-V191 VanDerWaalsContact CE2-CG1 3.5Å; F106-V191 HydrophobicContact CZ-CG1 4.26Å
107S91.2Very high91.6Very high17 Ų1748 Ų4812%0.11923%0.232CC..Hα-helixtrans-58.8-42.9178.2-171.80000111.4K103 R104 R111K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.28Å; K103-S107 PolarHBondContact O-N 2.86Å; R104-S107 PolarHBondContact O-N 3.43Å; S107-R111 VanDerWaalsContact O-CB 3.22Å; S107-R111 WeakPolarHBondContact O-CB 3.07Å; S107-R111 PolarHBondContact O-N 2.72Å; S107-R111 PolarHBondContact OG-NH2 3.43Å
108D92Very high91.6Very high86 Ų8645.9 Ų45.946%0.4622%0.224SC..Hα-helixtrans-66-44178.3-64.4-24.9000111.8R104 F106 R111 S112R104-D108 VanDerWaalsContact O-CG 3.31Å; R104-D108 PolarHBondContact O-N 3.28Å; F106-D108 VanDerWaalsContact C-N 3.3Å; F106-D108 PolarHBondContact O-N 3.07Å; D108-R111 PolarHBondContact O-N 2.88Å; D108-R111 IonicContact OD1-NH1 3.42Å; D108-R111 PolarHBondContact OD1-NH1 2.68Å; D108-R111 VanDerWaalsContact OD1-NH1 3.07Å; D108-S112 PolarHBondContact O-N 3.48Å
109R91.5Very high91.5Very high31 Ų3147.2 Ų47.212%0.11723%0.232CC..Hα-helixtrans-66.3-46.5177.6-17564.4-165.3121.5-0.6111.9K105 F106 R111 S112 E113 V134 A137 L138K105-R109 WeakPolarHBondContact O-CB 3.49Å; K105-R109 PolarHBondContact O-N 3.4Å; F106-R109 PolarHBondContact O-N 2.83Å; R109-R111 VanDerWaalsContact C-N 3.31Å; R109-R111 PolarHBondContact O-N 2.83Å; R109-S112 PolarHBondContact NH1-OG 2.82Å; R109-S112 WeakPolarHBondContact O-CB 3.2Å; R109-S112 PolarHBondContact O-N 3.29Å; R109-E113 IonicContact CZ-OE1 2.72Å; R109-E113 IonicContact CZ-OE2 3.35Å; R109-E113 IonicContact NH1-OE1 2.82Å; R109-E113 PolarHBondContact NH1-OE1 3.28Å; R109-E113 IonicContact NH1-OE2 3.62Å; R109-E113 IonicContact NH2-OE1 2.82Å; R109-E113 PolarHBondContact NH2-OE1 2.82Å; R109-E113 IonicContact NH2-OE2 2.82Å; R109-E113 PolarHBondContact NH2-OE2 3.15Å; R109-E113 PolarHBondContact O-N 2.9Å; R109-E113 VanDerWaalsContact O-N 3.11Å; R109-V134 HydrophobicContact CB-CG1 4.49Å; R109-V134 HydrophobicContact CG-CB 4.41Å; R109-V134 HydrophobicContact CG-CG1 4.06Å; R109-V134 HydrophobicContact CG-CG2 4.35Å; R109-A137 HydrophobicContact CG-CB 4.13Å; R109-L138 HydrophobicContact CB-CD2 4.32Å
110L91.9Very high91.3Very high3 Ų351.9 Ų51.92%0.01625%0.252CS..Hα-helixtrans-61.5-40.2178-177.761.6000111.2F62 V72 F106 E113 I114 V134F62-L110 HydrophobicContact CE1-CB 4.31Å; F62-L110 HydrophobicContact CE1-CD2 4.24Å; F62-L110 HydrophobicContact CE1-CG 4.19Å; F62-L110 HydrophobicContact CE2-CD2 3.74Å; F62-L110 HydrophobicContact CE2-CG 4.39Å; F62-L110 HydrophobicContact CZ-CB 4.37Å; F62-L110 HydrophobicContact CZ-CD2 3.57Å; F62-L110 HydrophobicContact CZ-CG 4.03Å; V72-L110 HydrophobicContact CG1-CD2 4.33Å; F106-L110 HydrophobicContact CE1-CD2 3.92Å; F106-L110 HydrophobicContact CE2-CB 4.3Å; F106-L110 HydrophobicContact CE2-CD2 4.25Å; F106-L110 HydrophobicContact CZ-CB 4.38Å; F106-L110 HydrophobicContact CZ-CD2 3.59Å; F106-L110 HydrophobicContact CZ-CG 4.46Å; F106-L110 WeakPolarHBondContact O-CB 3.29Å; F106-L110 PolarHBondContact O-N 3.42Å; L110-E113 PolarHBondContact O-N 3.24Å; L110-I114 HydrophobicContact CD1-CD1 3.72Å; L110-I114 HydrophobicContact CD1-CG1 4Å; L110-I114 HydrophobicContact CD2-CD1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.69Å; L110-I114 HydrophobicContact CG-CG1 4.3Å; L110-I114 WeakPolarHBondContact O-CB 3.49Å; L110-I114 WeakPolarHBondContact O-CG1 3.09Å; L110-I114 PolarHBondContact O-N 3.05Å; L110-V134 HydrophobicContact CD1-CG2 4.2Å
111R92.7Very high91.1Very high105 Ų10551.2 Ų51.240%0.39625%0.245SC..Hα-helixtrans-61.5-44.2174.3-175.9177-60.297.111.4112.2F62 S107 D108 R109 E113 G115F62-R111 HydrophobicContact CD1-CB 3.84Å; F62-R111 HydrophobicContact CD1-CG 4.3Å; F62-R111 HydrophobicContact CE1-CB 3.96Å; S107-R111 VanDerWaalsContact O-CB 3.22Å; S107-R111 WeakPolarHBondContact O-CB 3.07Å; S107-R111 PolarHBondContact O-N 2.72Å; S107-R111 PolarHBondContact OG-NH2 3.43Å; D108-R111 PolarHBondContact O-N 2.88Å; D108-R111 IonicContact OD1-NH1 3.42Å; D108-R111 PolarHBondContact OD1-NH1 2.68Å; D108-R111 VanDerWaalsContact OD1-NH1 3.07Å; R109-R111 VanDerWaalsContact C-N 3.31Å; R109-R111 PolarHBondContact O-N 2.83Å; R111-E113 VanDerWaalsContact C-N 3.27Å; R111-E113 PolarHBondContact O-N 3.46Å; R111-G115 PolarHBondContact O-N 3.02Å
112S91.7Very high91Very high43 Ų4349.6 Ų49.630%0.30124%0.237SC..Hα-helixtrans-60.6-37.1177.2-178.70000112.2D108 R109 R116D108-S112 PolarHBondContact O-N 3.48Å; R109-S112 PolarHBondContact NH1-OG 2.82Å; R109-S112 WeakPolarHBondContact O-CB 3.2Å; R109-S112 PolarHBondContact O-N 3.29Å; S112-R116 WeakPolarHBondContact O-CG 3.48Å; S112-R116 PolarHBondContact OG-NH1 2.8Å
113E88.9Confident90.7Very high16 Ų1653.6 Ų53.68%0.07526%0.261CS..Hα-helixtrans-78.4-47.7179.1-64.1-56.386.400112.6R109 L110 R111 G115 R116 L117 L130 V134R109-E113 IonicContact CZ-OE1 2.72Å; R109-E113 IonicContact CZ-OE2 3.35Å; R109-E113 IonicContact NH1-OE1 2.82Å; R109-E113 PolarHBondContact NH1-OE1 3.28Å; R109-E113 IonicContact NH1-OE2 3.62Å; R109-E113 IonicContact NH2-OE1 2.82Å; R109-E113 PolarHBondContact NH2-OE1 2.82Å; R109-E113 IonicContact NH2-OE2 2.82Å; R109-E113 PolarHBondContact NH2-OE2 3.15Å; R109-E113 PolarHBondContact O-N 2.9Å; R109-E113 VanDerWaalsContact O-N 3.11Å; L110-E113 PolarHBondContact O-N 3.24Å; R111-E113 VanDerWaalsContact C-N 3.27Å; R111-E113 PolarHBondContact O-N 3.46Å; E113-G115 PolarHBondContact O-N 2.93Å; E113-R116 PolarHBondContact O-N 2.95Å; E113-R116 VanDerWaalsContact O-N 3.09Å; E113-R116 IonicContact OE1-NH1 2.8Å; E113-R116 PolarHBondContact OE1-NH1 2.79Å; E113-L117 PolarHBondContact O-N 2.77Å; E113-L130 HydrophobicContact CB-CD1 3.36Å; E113-L130 HydrophobicContact CG-CD1 4.19Å; E113-V134 HydrophobicContact CB-CG2 4.29Å; E113-V134 HydrophobicContact CG-CG2 3.81Å
114I92.3Very high90.1Very high0 Ų055.5 Ų55.50%028%0.279CS..Hα-helixtrans-59.8-38.5177.4-71.2178.3000110.8F62 T64 V72 L110 R116 L117 I122 L130F62-I114 HydrophobicContact CB-CB 4.37Å; F62-I114 HydrophobicContact CB-CD1 3.92Å; F62-I114 HydrophobicContact CB-CG2 3.79Å; F62-I114 HydrophobicContact CD1-CD1 4.34Å; F62-I114 HydrophobicContact CD2-CD1 3.98Å; F62-I114 HydrophobicContact CG-CD1 3.82Å; T64-I114 WeakPolarHBondContact CA-O 3.28Å; T64-I114 HydrophobicContact CG2-CG2 3.97Å; V72-I114 HydrophobicContact CG2-CD1 3.93Å; L110-I114 HydrophobicContact CD1-CD1 3.72Å; L110-I114 HydrophobicContact CD1-CG1 4Å; L110-I114 HydrophobicContact CD2-CD1 4.27Å; L110-I114 HydrophobicContact CG-CD1 3.69Å; L110-I114 HydrophobicContact CG-CG1 4.3Å; L110-I114 WeakPolarHBondContact O-CB 3.49Å; L110-I114 WeakPolarHBondContact O-CG1 3.09Å; L110-I114 PolarHBondContact O-N 3.05Å; I114-R116 PolarHBondContact O-N 3.4Å; I114-L117 PolarHBondContact O-N 2.58Å; I114-I122 HydrophobicContact CB-CD1 4.44Å; I114-I122 HydrophobicContact CG2-CD1 3.86Å; I114-L130 HydrophobicContact CG1-CD2 4.47Å
115G93Very high89.4Confident32 Ų3250.6 Ų50.633%0.3326%0.263SS..THydrogen-bonded Turntrans-64.8-16.8179.300000114.6V63 K65 R111 E113V63-G115 WeakPolarHBondContact O-CA 3.5Å; K65-G115 VanDerWaalsContact CA-O 3.26Å; K65-G115 WeakPolarHBondContact CA-O 3.22Å; K65-G115 WeakPolarHBondContact CB-O 3.26Å; K65-G115 PolarHBondContact N-O 3.05Å; R111-G115 PolarHBondContact O-N 3.02Å; E113-G115 PolarHBondContact O-N 2.93Å
116R91.5Very high88Confident97 Ų9749.5 Ų49.537%0.36626%0.26SS..THydrogen-bonded Turntrans-99.2-12.4178.9-69.4177.3-179.3134.5-4.9113.9K65 S112 E113 I114 D147K65-R116 WeakPolarHBondContact CD-O 3.49Å; S112-R116 WeakPolarHBondContact O-CG 3.48Å; S112-R116 PolarHBondContact OG-NH1 2.8Å; E113-R116 PolarHBondContact O-N 2.95Å; E113-R116 VanDerWaalsContact O-N 3.09Å; E113-R116 IonicContact OE1-NH1 2.8Å; E113-R116 PolarHBondContact OE1-NH1 2.79Å; I114-R116 PolarHBondContact O-N 3.4Å; R116-D147 IonicContact CZ-OD2 3.2Å; R116-D147 IonicContact NE-OD2 2.77Å; R116-D147 PolarHBondContact NE-OD2 2.86Å; R116-D147 IonicContact NH2-OD2 3.84Å; R116-D147 PolarHBondContact NH2-OD2 2.82Å
117L91.1Very high86.7Confident45 Ų4560.4 Ų60.424%0.23630%0.302CS..SBendtrans-107.4150.2-175.1-62.7175.2000111.6T64 K65 E113 I114 I122 L130T64-L117 WeakPolarHBondContact CB-O 3.3Å; K65-L117 WeakPolarHBondContact CB-O 3.41Å; K65-L117 PolarHBondContact N-O 2.96Å; K65-L117 VanDerWaalsContact N-O 3.15Å; E113-L117 PolarHBondContact O-N 2.77Å; I114-L117 PolarHBondContact O-N 2.58Å; L117-I122 HydrophobicContact CB-CD1 4.02Å; L117-I122 HydrophobicContact CB-CG1 3.53Å; L117-I122 HydrophobicContact CD1-CG1 4.08Å; L117-I122 HydrophobicContact CG-CG1 4.48Å; L117-L130 HydrophobicContact CD1-CD1 4.08Å
118D91.9Very high86.2Confident50 Ų5061.4 Ų61.427%0.26731%0.314SS..  trans-79.3155.6170.5-64.2-37.1000109.9E66 K120 D121 I122E66-D118 HydrophobicContact CG-CB 4.07Å; E66-D118 WeakPolarHBondContact CG-OD1 3.22Å; D118-K120 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact O-N 3.14Å; D118-D121 PolarHBondContact O-N 2.77Å; D118-I122 WeakPolarHBondContact O-CG1 3.22Å; D118-I122 PolarHBondContact O-N 2.8Å
119V88.8Confident85.9Confident29 Ų2964.6 Ų64.618%0.17632%0.32CS..Hα-helixtrans-57.1-36.6-177.3173.60000111.4T64 E66 K68 L70 I122 V123T64-V119 HydrophobicContact CG2-CG2 3.73Å; E66-V119 WeakPolarHBondContact OE2-CG2 3.43Å; E66-V119 PolarHBondContact OE2-N 2.9Å; K68-V119 HydrophobicContact CB-CG2 3.89Å; K68-V119 HydrophobicContact CD-CB 4.46Å; K68-V119 HydrophobicContact CD-CG2 3.54Å; K68-V119 HydrophobicContact CG-CG2 4.35Å; L70-V119 HydrophobicContact CD1-CG2 4.27Å; L70-V119 HydrophobicContact CD2-CG1 4.32Å; L70-V119 HydrophobicContact CD2-CG2 4.28Å; L70-V119 HydrophobicContact CG-CG2 4.5Å; V119-I122 PolarHBondContact O-N 3.41Å; V119-V123 HydrophobicContact CG1-CG2 4.27Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.21Å; V119-V123 PolarHBondContact O-N 2.86Å
120K88.1Confident85.7Confident158 Ų15863.1 Ų63.169%0.68731%0.314SS*.Hα-helixtrans-62.8-43.4178.4-175.4-176.2174.5-168.50111.5D118 V123 T124D118-K120 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact O-N 3.14Å; K120-V123 PolarHBondContact O-N 3.21Å; K120-T124 VanDerWaalsContact O-CB 3.24Å; K120-T124 WeakPolarHBondContact O-CB 3.37Å; K120-T124 PolarHBondContact O-N 2.84Å; K120-T124 PolarHBondContact O-OG1 3.06Å
121D88.3Confident85.7Confident75 Ų7563.6 Ų63.640%0.40132%0.317SS..Hα-helixtrans-70.4-42.6-178.5-59.9-27.3000110D118 V123 T124 D125D118-D121 PolarHBondContact O-N 2.77Å; D121-V123 PolarHBondContact O-N 3.03Å; D121-T124 PolarHBondContact O-N 2.83Å; D121-D125 VanDerWaalsContact O-CB 3.28Å; D121-D125 WeakPolarHBondContact O-CB 3.23Å; D121-D125 PolarHBondContact O-N 3.38Å
122I88.6Confident85.6Confident0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-56.9-50.8173.6-63.1163.1000110.1T64 L70 I114 L117 D118 V119 T124 S126 L130 I196T64-I122 HydrophobicContact CG2-CD1 3.49Å; T64-I122 VanDerWaalsContact CG2-CD1 3.49Å; L70-I122 HydrophobicContact CD1-CD1 4.01Å; L70-I122 HydrophobicContact CD1-CG2 4.47Å; I114-I122 HydrophobicContact CB-CD1 4.44Å; I114-I122 HydrophobicContact CG2-CD1 3.86Å; L117-I122 HydrophobicContact CB-CD1 4.02Å; L117-I122 HydrophobicContact CB-CG1 3.53Å; L117-I122 HydrophobicContact CD1-CG1 4.08Å; L117-I122 HydrophobicContact CG-CG1 4.48Å; D118-I122 WeakPolarHBondContact O-CG1 3.22Å; D118-I122 PolarHBondContact O-N 2.8Å; V119-I122 PolarHBondContact O-N 3.41Å; I122-T124 PolarHBondContact O-N 3.04Å; I122-S126 WeakPolarHBondContact O-CA 3.37Å; I122-S126 WeakPolarHBondContact O-CB 3.25Å; I122-S126 PolarHBondContact O-N 3.16Å; I122-S126 PolarHBondContact O-OG 3.27Å; I122-L130 HydrophobicContact CG2-CD2 4.19Å; I122-I196 HydrophobicContact CG2-CD1 3.51Å
123V83.8Confident85.6Confident84 Ų8463.3 Ų63.351%0.50932%0.318SS..Hα-helixtrans-66.4-39.5-1781730000111.5V119 K120 D121 S126V119-V123 HydrophobicContact CG1-CG2 4.27Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.21Å; V119-V123 PolarHBondContact O-N 2.86Å; K120-V123 PolarHBondContact O-N 3.21Å; D121-V123 PolarHBondContact O-N 3.03Å; V123-S126 PolarHBondContact O-OG 2.96Å; V123-S126 VanDerWaalsContact O-OG 3.1Å
124T80.4Confident85.7Confident111 Ų11162.6 Ų62.668%0.68131%0.314SS*.Hα-helixtrans-69.8-38.9-178.2-54.40000112K120 D121 I122K120-T124 VanDerWaalsContact O-CB 3.24Å; K120-T124 WeakPolarHBondContact O-CB 3.37Å; K120-T124 PolarHBondContact O-N 2.84Å; K120-T124 PolarHBondContact O-OG1 3.06Å; D121-T124 PolarHBondContact O-N 2.83Å; I122-T124 PolarHBondContact O-N 3.04Å
125D76.3Confident85.8Confident42 Ų4266.1 Ų66.123%0.22533%0.328CS..Hα-helixtrans-106.2-4.9-173.9-178.258.5000114.3D121 R127 G128 R129 L130D121-D125 VanDerWaalsContact O-CB 3.28Å; D121-D125 WeakPolarHBondContact O-CB 3.23Å; D121-D125 PolarHBondContact O-N 3.38Å; D125-R127 PolarHBondContact O-N 2.82Å; D125-G128 PolarHBondContact O-N 3.5Å; D125-R129 WeakPolarHBondContact OD1-CB 3.44Å; D125-R129 WeakPolarHBondContact OD1-CD 3.46Å; D125-R129 WeakPolarHBondContact OD1-CG 3.48Å; D125-R129 PolarHBondContact OD1-N 2.91Å; D125-R129 WeakPolarHBondContact OD2-CB 3.35Å; D125-L130 PolarHBondContact OD2-N 2.78Å
126S61.7Low85.8Confident15 Ų1567.8 Ų67.811%0.10533%0.329CS..THydrogen-bonded Turntrans-48.2-22-173.746.90000116.1I122 V123I122-S126 WeakPolarHBondContact O-CA 3.37Å; I122-S126 WeakPolarHBondContact O-CB 3.25Å; I122-S126 PolarHBondContact O-N 3.16Å; I122-S126 PolarHBondContact O-OG 3.27Å; V123-S126 PolarHBondContact O-OG 2.96Å; V123-S126 VanDerWaalsContact O-OG 3.1Å
127R65.4Low85.7Confident230 Ų23063.5 Ų63.587%0.86832%0.315SS*.THydrogen-bonded Turntrans-95.8-9.4-175.3-61.3-173175.1-169.9-2.1114.1D125D125-R127 PolarHBondContact O-N 2.82Å
128G79.4Confident85.8Confident37 Ų3761.8 Ų61.838%0.38131%0.305SS..SBendtrans-128.4-89.2-169.400000113D125 T131 L132D125-G128 PolarHBondContact O-N 3.5Å; G128-T131 PolarHBondContact O-OG1 2.86Å; G128-L132 VanDerWaalsContact O-CB 3.31Å; G128-L132 WeakPolarHBondContact O-CB 3.24Å; G128-L132 PolarHBondContact O-N 3.07Å; G128-L132 VanDerWaalsContact O-N 3.11Å
129R86.4Confident85.8Confident154 Ų15461.5 Ų61.558%0.58130%0.304SS*.Hα-helixtrans-73-45.7-165.9-49.1162.546.294.716.4111.8D125 T131 L132 E133D125-R129 WeakPolarHBondContact OD1-CB 3.44Å; D125-R129 WeakPolarHBondContact OD1-CD 3.46Å; D125-R129 WeakPolarHBondContact OD1-CG 3.48Å; D125-R129 PolarHBondContact OD1-N 2.91Å; D125-R129 WeakPolarHBondContact OD2-CB 3.35Å; R129-T131 VanDerWaalsContact C-N 3.29Å; R129-T131 PolarHBondContact O-N 3.04Å; R129-L132 CarbonylContact O-C 3.57Å; R129-L132 WeakPolarHBondContact O-CB 3.15Å; R129-L132 PolarHBondContact O-N 3.33Å; R129-E133 IonicContact CZ-OE1 3.79Å; R129-E133 IonicContact NE-OE1 3.95Å; R129-E133 IonicContact NH2-OE1 2.66Å; R129-E133 PolarHBondContact NH2-OE1 3.29Å; R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 VanDerWaalsContact O-CG 3.32Å; R129-E133 WeakPolarHBondContact O-CG 3.34Å; R129-E133 PolarHBondContact O-N 2.93Å
130L88.2Confident85.7Confident0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-49.6-49.8176.7174.961.1000112.5E113 I114 L117 I122 D125 V134 I193E113-L130 HydrophobicContact CB-CD1 3.36Å; E113-L130 HydrophobicContact CG-CD1 4.19Å; I114-L130 HydrophobicContact CG1-CD2 4.47Å; L117-L130 HydrophobicContact CD1-CD1 4.08Å; I122-L130 HydrophobicContact CG2-CD2 4.19Å; D125-L130 PolarHBondContact OD2-N 2.78Å; L130-V134 HydrophobicContact CD1-CG2 4.34Å; L130-V134 WeakPolarHBondContact O-CB 3.25Å; L130-V134 WeakPolarHBondContact O-CG2 3.12Å; L130-V134 PolarHBondContact O-N 3.49Å; L130-I193 HydrophobicContact CD2-CD1 3.61Å; L130-I193 HydrophobicContact CG-CD1 4.4Å
131T90.3Very high85.4Confident12 Ų1256 Ų567%0.07429%0.288CS..Hα-helixtrans-69.8-34.4-179.142.40000113.1G128 R129 R135 V191 I193G128-T131 PolarHBondContact O-OG1 2.86Å; R129-T131 VanDerWaalsContact C-N 3.29Å; R129-T131 PolarHBondContact O-N 3.04Å; T131-R135 WeakPolarHBondContact O-CB 3.47Å; T131-R135 PolarHBondContact O-N 3.11Å; T131-V191 WeakPolarHBondContact CB-O 3.2Å; T131-V191 HydrophobicContact CG2-CG1 4.45Å; T131-V191 WeakPolarHBondContact CG2-O 3.36Å; T131-I193 HydrophobicContact CG2-CD1 4.23Å; T131-I193 HydrophobicContact CG2-CG1 3.96Å
132L91.4Very high84.6Confident80 Ų8054.7 Ų54.742%0.41929%0.285SS..Hα-helixtrans-68.3-46.7175.8-177.766.5000111G128 R129 V134 R135 D136G128-L132 VanDerWaalsContact O-CB 3.31Å; G128-L132 WeakPolarHBondContact O-CB 3.24Å; G128-L132 PolarHBondContact O-N 3.07Å; G128-L132 VanDerWaalsContact O-N 3.11Å; R129-L132 CarbonylContact O-C 3.57Å; R129-L132 WeakPolarHBondContact O-CB 3.15Å; R129-L132 PolarHBondContact O-N 3.33Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.29Å; L132-R135 VanDerWaalsContact CD1-NH2 3.31Å; L132-R135 WeakPolarHBondContact O-CB 3.19Å; L132-R135 PolarHBondContact O-N 2.64Å; L132-D136 WeakPolarHBondContact O-CB 3.47Å; L132-D136 VanDerWaalsContact O-CG 3.24Å; L132-D136 PolarHBondContact O-N 2.91Å
133E90.9Very high83.2Confident62 Ų6259 Ų5929%0.2932%0.32SS..Hα-helixtrans-62.5-38.8177.6-71.4169.1-17400111.2R129 A137R129-E133 IonicContact CZ-OE1 3.79Å; R129-E133 IonicContact NE-OE1 3.95Å; R129-E133 IonicContact NH2-OE1 2.66Å; R129-E133 PolarHBondContact NH2-OE1 3.29Å; R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 VanDerWaalsContact O-CG 3.32Å; R129-E133 WeakPolarHBondContact O-CG 3.34Å; R129-E133 PolarHBondContact O-N 2.93Å; E133-A137 WeakPolarHBondContact O-CB 3.41Å; E133-A137 PolarHBondContact O-N 2.82Å
134V92Very high81.5Confident1 Ų156 Ų561%0.00631%0.307CS..Hα-helixtrans-65.6-46.8171.9172.30000111.2F106 R109 L110 E113 L130 L132 L138 V191F106-V134 HydrophobicContact CD2-CG1 3.78Å; F106-V134 HydrophobicContact CE2-CG1 3.83Å; R109-V134 HydrophobicContact CB-CG1 4.49Å; R109-V134 HydrophobicContact CG-CB 4.41Å; R109-V134 HydrophobicContact CG-CG1 4.06Å; R109-V134 HydrophobicContact CG-CG2 4.35Å; L110-V134 HydrophobicContact CD1-CG2 4.2Å; E113-V134 HydrophobicContact CB-CG2 4.29Å; E113-V134 HydrophobicContact CG-CG2 3.81Å; L130-V134 HydrophobicContact CD1-CG2 4.34Å; L130-V134 WeakPolarHBondContact O-CB 3.25Å; L130-V134 WeakPolarHBondContact O-CG2 3.12Å; L130-V134 PolarHBondContact O-N 3.49Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.29Å; V134-L138 HydrophobicContact CG1-CD1 4.03Å; V134-L138 HydrophobicContact CG1-CG 4.43Å; V134-L138 WeakPolarHBondContact O-CB 3.42Å; V134-L138 VanDerWaalsContact O-CG 3.26Å; V134-L138 WeakPolarHBondContact O-CG 3Å; V134-L138 PolarHBondContact O-N 2.77Å; V134-V191 HydrophobicContact CG1-CG1 4.2Å
135R93.5Very high79.8Confident74 Ų7457.1 Ų57.128%0.27931%0.313SS..Hα-helixtrans-59.4-50.5178.6-176-164.273.5173.62.2111.4T131 L132 L138 N139 V188 V189 V191T131-R135 WeakPolarHBondContact O-CB 3.47Å; T131-R135 PolarHBondContact O-N 3.11Å; L132-R135 VanDerWaalsContact CD1-NH2 3.31Å; L132-R135 WeakPolarHBondContact O-CB 3.19Å; L132-R135 PolarHBondContact O-N 2.64Å; R135-L138 WeakPolarHBondContact O-CB 3.38Å; R135-L138 PolarHBondContact O-N 3.35Å; R135-N139 PolarHBondContact O-N 3.35Å; R135-N139 PolarHBondContact O-ND2 2.92Å; R135-V188 HydrophobicContact CG-CB 4.27Å; R135-V188 HydrophobicContact CG-CG1 3.99Å; R135-V189 VanDerWaalsContact CD-O 3.24Å; R135-V189 WeakPolarHBondContact CD-O 3.11Å; R135-V189 PolarHBondContact NH1-O 3.04Å; R135-V191 HydrophobicContact CB-CB 4.32Å; R135-V191 HydrophobicContact CB-CG2 3.9Å; R135-V191 HydrophobicContact CG-CG2 4.29Å
136D92.9Very high78.2Confident68 Ų6863.9 Ų63.936%0.36434%0.344SS..Hα-helixtrans-67.4-40.7-174.6-67.5-9.6000110.3L132 L138 N139 S140L132-D136 WeakPolarHBondContact O-CB 3.47Å; L132-D136 VanDerWaalsContact O-CG 3.24Å; L132-D136 PolarHBondContact O-N 2.91Å; D136-L138 PolarHBondContact O-N 3.49Å; D136-N139 PolarHBondContact O-N 2.77Å; D136-S140 WeakPolarHBondContact O-CB 3.34Å; D136-S140 PolarHBondContact O-N 2.84Å; D136-S140 PolarHBondContact O-OG 3.47Å; D136-S140 VanDerWaalsContact O-OG 3.06Å
137A91Very high77.3Confident7 Ų767.6 Ų67.66%0.05836%0.362CS..Hα-helixtrans-67.6-32.417400000113.9R109 E133 N139 G141R109-A137 HydrophobicContact CG-CB 4.13Å; E133-A137 WeakPolarHBondContact O-CB 3.41Å; E133-A137 PolarHBondContact O-N 2.82Å; A137-N139 VanDerWaalsContact C-N 3.34Å; A137-G141 VanDerWaalsContact O-CA 3.23Å; A137-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 PolarHBondContact O-N 3.3Å
138L92.2Very high75.8Confident8 Ų866 Ų664%0.04237%0.365CS..Hα-helixtrans-64.8-40.5171-77.9173.2000111.2K105 F106 R109 V134 R135 D136 M181 V188 V191K105-L138 HydrophobicContact CB-CD2 3.96Å; F106-L138 HydrophobicContact CB-CD1 4.19Å; F106-L138 HydrophobicContact CD2-CD1 3.98Å; R109-L138 HydrophobicContact CB-CD2 4.32Å; V134-L138 HydrophobicContact CG1-CD1 4.03Å; V134-L138 HydrophobicContact CG1-CG 4.43Å; V134-L138 WeakPolarHBondContact O-CB 3.42Å; V134-L138 VanDerWaalsContact O-CG 3.26Å; V134-L138 WeakPolarHBondContact O-CG 3Å; V134-L138 PolarHBondContact O-N 2.77Å; R135-L138 WeakPolarHBondContact O-CB 3.38Å; R135-L138 PolarHBondContact O-N 3.35Å; D136-L138 PolarHBondContact O-N 3.49Å; L138-M181 HydrophobicContact CB-CG 3.98Å; L138-M181 HydrophobicContact CD2-CG 4.28Å; L138-M181 WeakPolarHBondContact O-CB 3.44Å; L138-M181 WeakPolarHBondContact O-CG 3.26Å; L138-M181 PolarHBondContact O-N 3.29Å; L138-V188 HydrophobicContact CB-CG2 4.05Å; L138-V188 HydrophobicContact CD1-CG2 4.31Å; L138-V191 HydrophobicContact CD1-CG2 4.39Å
139N92.5Very high74.1Confident44 Ų4469.1 Ų69.124%0.23538%0.376CS..Hα-helixtrans-73.1-40.3179.1-74.9-32.9000113.1R135 D136 A137 S180 V188R135-N139 PolarHBondContact O-N 3.35Å; R135-N139 PolarHBondContact O-ND2 2.92Å; D136-N139 PolarHBondContact O-N 2.77Å; A137-N139 VanDerWaalsContact C-N 3.34Å; N139-S180 WeakPolarHBondContact O-CB 3.44Å; N139-V188 PolarHBondContact ND2-O 2.73Å; N139-V188 PolarHBondContact OD1-N 3.45Å
140S86.7Confident71.8Confident62 Ų6267.5 Ų67.543%0.43438%0.384SS..Hα-helixtrans-84.9-25.4-178.869.10000113.5D136 S142 N177D136-S140 WeakPolarHBondContact O-CB 3.34Å; D136-S140 PolarHBondContact O-N 2.84Å; D136-S140 PolarHBondContact O-OG 3.47Å; D136-S140 VanDerWaalsContact O-OG 3.06Å; S140-S142 PolarHBondContact O-N 2.85Å; S140-S142 WeakPolarHBondContact OG-CB 3.44Å; S140-S142 PolarHBondContact OG-N 3.17Å; S140-S142 VanDerWaalsContact OG-N 3.11Å; S140-S142 PolarHBondContact OG-OG 2.92Å; S140-N177 WeakPolarHBondContact O-CB 3.42Å
141G81Confident69.8Low10 Ų1072.1 Ų72.110%0.10341%0.412CS..  trans73.410.7-17000000114.2A137 A143 N177A137-G141 VanDerWaalsContact O-CA 3.23Å; A137-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 PolarHBondContact O-N 3.3Å; G141-A143 PolarHBondContact O-N 2.95Å; G141-N177 VanDerWaalsContact C-ND2 3.29Å; G141-N177 PolarHBondContact O-ND2 3.25Å
142S71.8Confident67.7Low48 Ų4876.2 Ų76.234%0.33644%0.439SS..  trans-66.4122.3178.3590000110.9S140S140-S142 PolarHBondContact O-N 2.85Å; S140-S142 WeakPolarHBondContact OG-CB 3.44Å; S140-S142 PolarHBondContact OG-N 3.17Å; S140-S142 VanDerWaalsContact OG-N 3.11Å; S140-S142 PolarHBondContact OG-OG 2.92Å
143A58.7Low65.7Low89 Ų8976.3 Ų76.374%0.73645%0.451SS*.  trans-68.3128.3153.700000106.6G141 T145G141-A143 PolarHBondContact O-N 2.95Å; A143-T145 PolarHBondContact O-N 3.03Å
144G49.1Very low63.8Low22 Ų2276.2 Ų76.223%0.22746%0.461CS..  trans-46125.9-172.100000113.4E146G144-E146 PolarHBondContact O-N 3.49Å
145T43.7Very low61.8Low134 Ų13480.8 Ų80.882%0.82249%0.485SS*.THydrogen-bonded Turntrans-74.126.3-170.1-41.90000114.8A143A143-T145 PolarHBondContact O-N 3.03Å
146E44.1Very low59.8Low185 Ų18582.3 Ų82.386%0.86450%0.499SS*.THydrogen-bonded Turntrans-119.6-5.8179.1-74.1-174172.900114.8G144 E148G144-E146 PolarHBondContact O-N 3.49Å; E146-E148 VanDerWaalsContact C-N 3.3Å; E146-E148 PolarHBondContact O-N 3.25Å; E146-E148 VanDerWaalsContact O-N 3.14Å
147D41.6Very low58Low92 Ų9281.7 Ų81.749%0.49250%0.503SS..  trans-86.381.7162.4-72.8-48.4000108.2R116 V149R116-D147 IonicContact CZ-OD2 3.2Å; R116-D147 IonicContact NE-OD2 2.77Å; R116-D147 PolarHBondContact NE-OD2 2.86Å; R116-D147 IonicContact NH2-OD2 3.84Å; R116-D147 PolarHBondContact NH2-OD2 2.82Å; D147-V149 HydrophobicContact CB-CG2 4.25Å; D147-V149 PolarHBondContact O-N 3.06Å
148E35.4Very low56.3Low196 Ų19686.8 Ų86.892%0.91653%0.529SS*.  trans-65.429.4159.6-137.7-178.5-159.400111.4E146 T150E146-E148 VanDerWaalsContact C-N 3.3Å; E146-E148 PolarHBondContact O-N 3.25Å; E146-E148 VanDerWaalsContact O-N 3.14Å; E148-T150 PolarHBondContact O-N 3.16Å
149V41.8Very low54.5Low103 Ų10388.8 Ų88.862%0.62455%0.546SS*.SBendtrans-82.476.1166.4-171.70000105.9D147 T151D147-V149 HydrophobicContact CB-CG2 4.25Å; D147-V149 PolarHBondContact O-N 3.06Å; V149-T151 VanDerWaalsContact C-N 3.32Å; V149-T151 PolarHBondContact O-N 2.72Å
150T38.7Very low52.6Low121 Ų12191.5 Ų91.574%0.74256%0.558SS**  trans23.669.2153.430.40000113.2E148 P152E148-T150 PolarHBondContact O-N 3.16Å; T150-P152 VanDerWaalsContact O-CD 3.25Å; T150-P152 WeakPolarHBondContact O-CD 3.44Å
151T45.9Very low51.1Low96 Ų9691 Ų9159%0.58956%0.558SS**  trans-56.8115.4162.134.20000104.9V149 A153V149-T151 VanDerWaalsContact C-N 3.32Å; V149-T151 PolarHBondContact O-N 2.72Å; T151-A153 PolarHBondContact O-N 3.4Å
152P46.4Very low49.8Very low98 Ų9892.6 Ų92.664%0.63657%0.569SS**  trans-54.9143.2-168.8-22.331.3000108.7T150 A154 D155T150-P152 VanDerWaalsContact O-CD 3.25Å; T150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-A154 PolarHBondContact O-N 2.78Å; P152-D155 PolarHBondContact O-N 2.83Å; P152-D155 VanDerWaalsContact O-N 3.11Å
153A49.4Very low49Very low82 Ų8296.4 Ų96.468%0.67858%0.582SS**THydrogen-bonded Turntrans-45.3-10.1-175.600000116.7T151 A157T151-A153 PolarHBondContact O-N 3.4Å; A153-A157 VanDerWaalsContact O-CB 3.25Å; A153-A157 WeakPolarHBondContact O-CB 3.42Å; A153-A157 PolarHBondContact O-N 2.89Å
154A52Low48.9Very low61 Ų61100.7 Ų100.750%0.50458%0.579SS.*Hα-helixtrans-57.9-42.7169.600000113.6P152 A157 I158P152-A154 PolarHBondContact O-N 2.78Å; A154-A157 PolarHBondContact O-N 3.29Å; A154-I158 VanDerWaalsContact O-CG1 3.29Å; A154-I158 WeakPolarHBondContact O-CG1 3.44Å; A154-I158 PolarHBondContact O-N 3.11Å
155D49.8Very low49.2Very low96 Ų96104 Ų10451%0.51360%0.595SS.*Hα-helixtrans-73.2-39.8-178-74.2-13.4000111.6P152 A157 I158 A159P152-D155 PolarHBondContact O-N 2.83Å; P152-D155 VanDerWaalsContact O-N 3.11Å; D155-A157 VanDerWaalsContact C-N 3.33Å; D155-A157 PolarHBondContact O-N 3.46Å; D155-I158 PolarHBondContact O-N 3.44Å; D155-A159 WeakPolarHBondContact O-CB 3.41Å; D155-A159 PolarHBondContact O-N 3.11Å
156N50.4Low49.5Very low106 Ų106100.3 Ų100.357%0.56757%0.572SS**Hα-helixtrans-63.7-38.3171.4-95.48000111.7I158 A159 E160N156-I158 VanDerWaalsContact C-N 3.33Å; N156-I158 PolarHBondContact O-N 3.21Å; N156-A159 PolarHBondContact O-N 2.7Å; N156-E160 WeakPolarHBondContact O-CB 3.36Å; N156-E160 WeakPolarHBondContact O-CG 3.39Å; N156-E160 PolarHBondContact O-N 3.35Å
157A55.9Low49.8Very low55 Ų5595.7 Ų95.746%0.45557%0.565SS.*Hα-helixtrans-65.4-36.7176.600000112.1A153 A154 D155 A161A153-A157 VanDerWaalsContact O-CB 3.25Å; A153-A157 WeakPolarHBondContact O-CB 3.42Å; A153-A157 PolarHBondContact O-N 2.89Å; A154-A157 PolarHBondContact O-N 3.29Å; D155-A157 VanDerWaalsContact C-N 3.33Å; D155-A157 PolarHBondContact O-N 3.46Å; A157-A161 WeakPolarHBondContact O-CB 3.38Å; A157-A161 PolarHBondContact O-N 2.79Å
158I54.5Low50.3Low115 Ų11599.4 Ų99.459%0.5958%0.58SS**Hα-helixtrans-69.1-40.7174.6-64.6164000110.5A154 D155 N156 A162A154-I158 VanDerWaalsContact O-CG1 3.29Å; A154-I158 WeakPolarHBondContact O-CG1 3.44Å; A154-I158 PolarHBondContact O-N 3.11Å; D155-I158 PolarHBondContact O-N 3.44Å; N156-I158 VanDerWaalsContact C-N 3.33Å; N156-I158 PolarHBondContact O-N 3.21Å; I158-A162 VanDerWaalsContact O-CB 3.3Å; I158-A162 WeakPolarHBondContact O-CB 3.11Å; I158-A162 PolarHBondContact O-N 2.91Å
159A55Low51.1Low50 Ų5094.1 Ų94.141%0.41356%0.561SS.*Hα-helixtrans-65.7-47.6176.400000112D155 N156 A162 E163D155-A159 WeakPolarHBondContact O-CB 3.41Å; D155-A159 PolarHBondContact O-N 3.11Å; N156-A159 PolarHBondContact O-N 2.7Å; A159-A162 WeakPolarHBondContact O-CB 3.25Å; A159-A162 PolarHBondContact O-N 3.4Å; A159-E163 WeakPolarHBondContact O-CG 3.46Å; A159-E163 PolarHBondContact O-N 3.24Å
160E52.6Low51.5Low100 Ų10099.7 Ų99.747%0.46758%0.577SS.*Hα-helixtrans-66.1-37.7176.5-74.6-173.5-156.300112.1N156 A162 E163 R164N156-E160 WeakPolarHBondContact O-CB 3.36Å; N156-E160 WeakPolarHBondContact O-CG 3.39Å; N156-E160 PolarHBondContact O-N 3.35Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-E163 PolarHBondContact O-N 3.42Å; E160-R164 WeakPolarHBondContact O-CB 3.22Å; E160-R164 WeakPolarHBondContact O-CG 3.39Å; E160-R164 PolarHBondContact O-N 2.79Å
161A56.4Low52.1Low53 Ų5396 Ų9644%0.43856%0.563SS.*Hα-helixtrans-64.6-41.7173.900000110.7A157 E163 V165A157-A161 WeakPolarHBondContact O-CB 3.38Å; A157-A161 PolarHBondContact O-N 2.79Å; A161-E163 VanDerWaalsContact C-N 3.34Å; A161-V165 WeakPolarHBondContact O-CB 3.32Å; A161-V165 WeakPolarHBondContact O-CG2 3.38Å; A161-V165 PolarHBondContact O-N 2.89Å
162A52Low52.4Low42 Ų42101.8 Ų101.835%0.34758%0.58SS.*Hα-helixtrans-62-42172.700000111.1I158 A159 E160 V165 T166I158-A162 VanDerWaalsContact O-CB 3.3Å; I158-A162 WeakPolarHBondContact O-CB 3.11Å; I158-A162 PolarHBondContact O-N 2.91Å; A159-A162 WeakPolarHBondContact O-CB 3.25Å; A159-A162 PolarHBondContact O-N 3.4Å; E160-A162 VanDerWaalsContact C-N 3.34Å; A162-V165 PolarHBondContact O-N 3.47Å; A162-T166 WeakPolarHBondContact O-CB 3.31Å; A162-T166 WeakPolarHBondContact O-CG2 3.35Å; A162-T166 PolarHBondContact O-N 3.04Å; A162-T166 PolarHBondContact O-OG1 2.61Å
163E54.8Low52.7Low129 Ų129102.4 Ų102.460%0.60358%0.582SS**Hα-helixtrans-64.9-46.3177.7-76.7-160.1167.200112.8A159 E160 A161 V165 T166 A167A159-E163 WeakPolarHBondContact O-CG 3.46Å; A159-E163 PolarHBondContact O-N 3.24Å; E160-E163 PolarHBondContact O-N 3.42Å; A161-E163 VanDerWaalsContact C-N 3.34Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 2.82Å; E163-T166 VanDerWaalsContact CA-OG1 3.28Å; E163-T166 WeakPolarHBondContact CA-OG1 3.22Å; E163-T166 CarbonylContact O-C 3.59Å; E163-T166 PolarHBondContact O-N 3.11Å; E163-T166 VanDerWaalsContact O-N 3.07Å; E163-T166 PolarHBondContact O-OG1 2.78Å; E163-A167 PolarHBondContact O-N 3.04Å
164R56.9Low53Low178 Ų178103.1 Ų103.167%0.67258%0.58SS**Hα-helixtrans-60.7-41.6176.9-71.9177.4-169.6-107.82.1111.5E160 T166 A167 E168E160-R164 WeakPolarHBondContact O-CB 3.22Å; E160-R164 WeakPolarHBondContact O-CG 3.39Å; E160-R164 PolarHBondContact O-N 2.79Å; R164-T166 VanDerWaalsContact C-N 3.32Å; R164-T166 PolarHBondContact O-N 3Å; R164-A167 PolarHBondContact O-N 3.23Å; R164-E168 PolarHBondContact O-N 3.36Å
165V55.3Low53.6Low93 Ų93105 Ų10556%0.56459%0.585SS**Hα-helixtrans-65.8-36.4175.31750000111A161 A162 E163 E168 T169A161-V165 WeakPolarHBondContact O-CB 3.32Å; A161-V165 WeakPolarHBondContact O-CG2 3.38Å; A161-V165 PolarHBondContact O-N 2.89Å; A162-V165 PolarHBondContact O-N 3.47Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 2.82Å; V165-E168 PolarHBondContact O-N 2.96Å; V165-T169 PolarHBondContact O-N 2.96Å; V165-T169 PolarHBondContact O-OG1 2.8Å
166T50.3Low54.6Low56 Ų56102.8 Ų102.834%0.34457%0.572SS.*Hα-helixtrans-73.5-32.1177.662.20000113.6A162 E163 R164 E168 T169 V175A162-T166 WeakPolarHBondContact O-CB 3.31Å; A162-T166 WeakPolarHBondContact O-CG2 3.35Å; A162-T166 PolarHBondContact O-N 3.04Å; A162-T166 PolarHBondContact O-OG1 2.61Å; E163-T166 VanDerWaalsContact CA-OG1 3.28Å; E163-T166 WeakPolarHBondContact CA-OG1 3.22Å; E163-T166 CarbonylContact O-C 3.59Å; E163-T166 PolarHBondContact O-N 3.11Å; E163-T166 VanDerWaalsContact O-N 3.07Å; E163-T166 PolarHBondContact O-OG1 2.78Å; R164-T166 VanDerWaalsContact C-N 3.32Å; R164-T166 PolarHBondContact O-N 3Å; T166-E168 VanDerWaalsContact C-N 3.26Å; T166-E168 PolarHBondContact O-N 3.44Å; T166-T169 WeakPolarHBondContact CA-OG1 3.47Å; T166-T169 CarbonylContact O-C 3.57Å; T166-T169 PolarHBondContact O-N 2.8Å; T166-V175 HydrophobicContact CG2-CG2 4.03Å
167A51.2Low56Low87 Ų87100.3 Ų100.372%0.71956%0.559SS**Hα-helixtrans-65.8-32.9173.800000111.3E163 R164E163-A167 PolarHBondContact O-N 3.04Å; R164-A167 PolarHBondContact O-N 3.23Å
168E52.5Low57.2Low171 Ų171102.4 Ų102.480%0.79957%0.568SS**Hα-helixtrans-79.9-25.8175.3-68.9-173.9171.600113R164 V165 T166 K170R164-E168 PolarHBondContact O-N 3.36Å; V165-E168 PolarHBondContact O-N 2.96Å; T166-E168 VanDerWaalsContact C-N 3.26Å; T166-E168 PolarHBondContact O-N 3.44Å; E168-K170 PolarHBondContact O-N 2.98Å
169T52.1Low58.4Low84 Ų84102.3 Ų102.352%0.51557%0.569SS.*SBendtrans-88.599.1173.322.20000110.9V165 T166 G171V165-T169 PolarHBondContact O-N 2.96Å; V165-T169 PolarHBondContact O-OG1 2.8Å; T166-T169 WeakPolarHBondContact CA-OG1 3.47Å; T166-T169 CarbonylContact O-C 3.57Å; T166-T169 PolarHBondContact O-N 2.8Å; T169-G171 PolarHBondContact O-N 3.24Å
170K49.4Very low60Low220 Ų220100 Ų10096%0.95755%0.55SS*.  trans-52.818.6175-83.7-177.6174.4178.30117.7E168E168-K170 PolarHBondContact O-N 2.98Å
171G51.4Low61.8Low45 Ų4595.3 Ų95.346%0.46453%0.528SS..SBendtrans-113.8123.7173.100000109.5T169 V173T169-G171 PolarHBondContact O-N 3.24Å; G171-V173 PolarHBondContact O-N 3.47Å
172K51.7Low63.3Low216 Ų21694.1 Ų94.194%0.93952%0.518SS*.  trans-58.158.9169-65.6171.3170.2177.80112.2P174K172-P174 VanDerWaalsContact O-CD 3.29Å; K172-P174 WeakPolarHBondContact O-CD 3.11Å
173V53Low65Low111 Ų11193.3 Ų93.367%0.67351%0.511SS*.  trans-77.6114.4169.8-175.70000104.9G171 V175G171-V173 PolarHBondContact O-N 3.47Å; V173-V175 PolarHBondContact O-N 2.88Å
174P56.6Low66.7Low97 Ų9788 Ų8863%0.6349%0.487SS*.  trans-54.9129.9174.6-19.431.4000108K172 I176K172-P174 VanDerWaalsContact O-CD 3.29Å; K172-P174 WeakPolarHBondContact O-CD 3.11Å; P174-I176 VanDerWaalsContact C-N 3.28Å; P174-I176 HydrophobicContact CB-CG1 4.37Å; P174-I176 PolarHBondContact O-N 3.36Å
175V64.1Low68.3Low101 Ų10179.6 Ų79.661%0.61246%0.455SS*.  trans-66.896.5171-179.10000106.4T166 V173T166-V175 HydrophobicContact CG2-CG2 4.03Å; V173-V175 PolarHBondContact O-N 2.88Å
176I70.5Confident70.2Confident49 Ų4975.2 Ų75.225%0.25143%0.429SS..  trans-84.3118.8177.5-63.6170.7000106.7R85 P174 P178 A182 A183R85-I176 VanDerWaalsContact NH1-CD1 3.33Å; P174-I176 VanDerWaalsContact C-N 3.28Å; P174-I176 HydrophobicContact CB-CG1 4.37Å; P174-I176 PolarHBondContact O-N 3.36Å; I176-P178 WeakPolarHBondContact O-CD 3.35Å; I176-A182 HydrophobicContact CG2-CB 3.91Å; I176-A183 HydrophobicContact CG2-CB 3.89Å; I176-A183 VanDerWaalsContact CG2-N 3.33Å
177N80.1Confident72.3Confident54 Ų5475.6 Ų75.629%0.28943%0.427SS..  trans-59.2122.1174-178.3-28.9000108.9S140 G141 N179 S180S140-N177 WeakPolarHBondContact O-CB 3.42Å; G141-N177 VanDerWaalsContact C-ND2 3.29Å; G141-N177 PolarHBondContact O-ND2 3.25Å; N177-N179 PolarHBondContact O-N 3.31Å; N177-N179 VanDerWaalsContact OD1-CB 3.32Å; N177-N179 WeakPolarHBondContact OD1-CB 3.46Å; N177-N179 PolarHBondContact OD1-N 3.18Å; N177-S180 VanDerWaalsContact O-CB 3.31Å; N177-S180 WeakPolarHBondContact O-CB 3.49Å; N177-S180 PolarHBondContact O-N 3.31Å; N177-S180 PolarHBondContact O-OG 3.09Å
178P80.4Confident74.5Confident100 Ų10071.5 Ų71.565%0.64939%0.393SS*.THydrogen-bonded Turntrans-60.8-20.6-17825.5-35.2000113.1I176I176-P178 WeakPolarHBondContact O-CD 3.35Å
179N81.1Confident76.5Confident113 Ų11365.4 Ų65.460%0.60437%0.367SS*.THydrogen-bonded Turntrans-83.3-15.9176.7-64.3-34.2000113.3K105 N177K105-N179 VanDerWaalsContact NZ-C 3.32Å; K105-N179 PolarHBondContact NZ-O 3.15Å; N177-N179 PolarHBondContact O-N 3.31Å; N177-N179 VanDerWaalsContact OD1-CB 3.32Å; N177-N179 WeakPolarHBondContact OD1-CB 3.46Å; N177-N179 PolarHBondContact OD1-N 3.18Å
180S88.1Confident78.5Confident2 Ų263.4 Ų63.41%0.01435%0.353CS..SBendtrans-72.9160.9177.572.40000113.4N139 N177 A182 A183N139-S180 WeakPolarHBondContact O-CB 3.44Å; N177-S180 VanDerWaalsContact O-CB 3.31Å; N177-S180 WeakPolarHBondContact O-CB 3.49Å; N177-S180 PolarHBondContact O-N 3.31Å; N177-S180 PolarHBondContact O-OG 3.09Å; S180-A182 PolarHBondContact OG-N 2.99Å; S180-A183 WeakPolarHBondContact O-CB 3.39Å; S180-A183 PolarHBondContact O-N 3.47Å; S180-A183 PolarHBondContact OG-N 2.97Å
181M89.6Confident80.6Confident0 Ų053 Ų530%031%0.308CS..G310 helixtrans-68.8-26168.9-67.2-54-51.200112.1L102 K105 L138 A183 L184 G185 I186 V188L102-M181 HydrophobicContact CB-CE 3.82Å; L102-M181 HydrophobicContact CB-SD 4.45Å; L102-M181 HydrophobicContact CD1-CE 3.54Å; L102-M181 HydrophobicContact CD1-CG 4.11Å; L102-M181 HydrophobicContact CD1-SD 3.56Å; L102-M181 VanDerWaalsContact CD1-SD 3.56Å; L102-M181 HydrophobicContact CG-CE 4.15Å; K105-M181 HydrophobicContact CB-SD 4.27Å; K105-M181 HydrophobicContact CD-SD 3.58Å; K105-M181 VanDerWaalsContact CD-SD 3.58Å; L138-M181 HydrophobicContact CB-CG 3.98Å; L138-M181 HydrophobicContact CD2-CG 4.28Å; L138-M181 WeakPolarHBondContact O-CB 3.44Å; L138-M181 WeakPolarHBondContact O-CG 3.26Å; L138-M181 PolarHBondContact O-N 3.29Å; M181-A183 PolarHBondContact O-N 3.46Å; M181-L184 HydrophobicContact CE-CB 4.43Å; M181-L184 HydrophobicContact CE-CD1 3.66Å; M181-L184 CarbonylContact O-C 3.47Å; M181-L184 WeakPolarHBondContact O-CA 3.31Å; M181-L184 WeakPolarHBondContact O-CB 2.91Å; M181-L184 PolarHBondContact O-N 3.14Å; M181-L184 HydrophobicContact SD-CD1 4.16Å; M181-G185 PolarHBondContact O-N 3.18Å; M181-I186 CarbonylContact C-O 3.59Å; M181-I186 HydrophobicContact CB-CB 4.37Å; M181-I186 HydrophobicContact CB-CG2 4.46Å; M181-I186 WeakPolarHBondContact CB-O 3.46Å; M181-I186 HydrophobicContact CE-CB 3.75Å; M181-I186 HydrophobicContact CE-CD1 3.67Å; M181-I186 HydrophobicContact CE-CG1 4.28Å; M181-I186 HydrophobicContact CE-CG2 3.73Å; M181-I186 PolarHBondContact O-N 2.91Å; M181-I186 VanDerWaalsContact O-O 3.05Å; M181-V188 HydrophobicContact CB-CG2 4.15Å; M181-V188 HydrophobicContact CG-CG2 3.73Å
182A88.6Confident82.6Confident29 Ų2957 Ų5724%0.2431%0.309CS..G310 helixtrans-61.1-27.5173.500000112.3R85 I176 S180 L184 G185 I186R85-A182 VanDerWaalsContact CD-O 3.25Å; R85-A182 WeakPolarHBondContact CD-O 3.45Å; R85-A182 PolarHBondContact NH1-O 3.11Å; R85-A182 VanDerWaalsContact NH1-O 3.07Å; I176-A182 HydrophobicContact CG2-CB 3.91Å; S180-A182 PolarHBondContact OG-N 2.99Å; A182-L184 PolarHBondContact O-N 2.88Å; A182-G185 PolarHBondContact O-N 2.76Å; A182-I186 PolarHBondContact N-O 3.1Å
183A88Confident84.5Confident24 Ų2448 Ų4820%0.19827%0.271CS..G310 helixtrans-67.7-22.6172.600000113.2R85 I176 S180 M181R85-A183 VanDerWaalsContact CD-C 3.48Å; R85-A183 WeakPolarHBondContact CD-O 3.19Å; R85-A183 WeakPolarHBondContact CG-O 3.32Å; I176-A183 HydrophobicContact CG2-CB 3.89Å; I176-A183 VanDerWaalsContact CG2-N 3.33Å; S180-A183 WeakPolarHBondContact O-CB 3.39Å; S180-A183 PolarHBondContact O-N 3.47Å; S180-A183 PolarHBondContact OG-N 2.97Å; M181-A183 PolarHBondContact O-N 3.46Å
184L89.9Confident86.3Confident19 Ų1947 Ų4710%0.09926%0.258CS..G310 helixtrans-93.12.2172-57.4178.4000112Y86 A89 L101 K105 M181 A182 I186Y86-L184 WeakPolarHBondContact CA-O 3.44Å; A89-L184 HydrophobicContact CB-CD2 3.82Å; L101-L184 HydrophobicContact CB-CD1 3.71Å; L101-L184 HydrophobicContact CD1-CD1 4.14Å; L101-L184 HydrophobicContact CD1-CD2 3.86Å; K105-L184 HydrophobicContact CD-CD1 4.31Å; M181-L184 HydrophobicContact CE-CB 4.43Å; M181-L184 HydrophobicContact CE-CD1 3.66Å; M181-L184 CarbonylContact O-C 3.47Å; M181-L184 WeakPolarHBondContact O-CA 3.31Å; M181-L184 WeakPolarHBondContact O-CB 2.91Å; M181-L184 PolarHBondContact O-N 3.14Å; M181-L184 HydrophobicContact SD-CD1 4.16Å; A182-L184 PolarHBondContact O-N 2.88Å; L184-I186 HydrophobicContact CB-CD1 4.02Å; L184-I186 HydrophobicContact CB-CG1 4.23Å; L184-I186 PolarHBondContact O-N 2.75Å
185G91.1Very high87.9Confident0 Ų047.3 Ų47.30%025%0.251CS..THydrogen-bonded Turntrans68.620.7-173.100000113.7S81 D82 M181 A182S81-G185 PolarHBondContact N-O 3.14Å; S81-G185 PolarHBondContact OG-O 2.83Å; D82-G185 PolarHBondContact N-O 3.05Å; D82-G185 VanDerWaalsContact N-O 3.14Å; M181-G185 PolarHBondContact O-N 3.18Å; A182-G185 PolarHBondContact O-N 2.76Å
186I94.6Very high89.2Confident1 Ų144.3 Ų44.31%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-109.1140-178.7-64.3169.9000109W78 Y86 A98 M181 A182 L184W78-I186 HydrophobicContact CB-CG2 3.94Å; W78-I186 HydrophobicContact CD2-CG2 4.14Å; W78-I186 HydrophobicContact CE3-CB 4.44Å; W78-I186 HydrophobicContact CE3-CD1 4.31Å; W78-I186 HydrophobicContact CE3-CG1 4.09Å; W78-I186 HydrophobicContact CE3-CG2 3.63Å; W78-I186 HydrophobicContact CG-CG2 4.31Å; W78-I186 HydrophobicContact CZ3-CD1 4.21Å; W78-I186 HydrophobicContact CZ3-CG1 4.09Å; W78-I186 HydrophobicContact CZ3-CG2 4.46Å; Y86-I186 HydrophobicContact CD2-CD1 4.04Å; Y86-I186 HydrophobicContact CD2-CG1 3.67Å; Y86-I186 HydrophobicContact CE2-CD1 3.94Å; Y86-I186 HydrophobicContact CE2-CG1 3.95Å; A98-I186 HydrophobicContact CB-CD1 4Å; M181-I186 CarbonylContact C-O 3.59Å; M181-I186 HydrophobicContact CB-CB 4.37Å; M181-I186 HydrophobicContact CB-CG2 4.46Å; M181-I186 WeakPolarHBondContact CB-O 3.46Å; M181-I186 HydrophobicContact CE-CB 3.75Å; M181-I186 HydrophobicContact CE-CD1 3.67Å; M181-I186 HydrophobicContact CE-CG1 4.28Å; M181-I186 HydrophobicContact CE-CG2 3.73Å; M181-I186 PolarHBondContact O-N 2.91Å; M181-I186 VanDerWaalsContact O-O 3.05Å; A182-I186 PolarHBondContact N-O 3.1Å; L184-I186 HydrophobicContact CB-CD1 4.02Å; L184-I186 HydrophobicContact CB-CG1 4.23Å; L184-I186 PolarHBondContact O-N 2.75Å
187E95Very high90Very high64 Ų6445.4 Ų45.430%0.29924%0.237SC..EExtended strand (participates in β ladder)trans-113.6127.4167.9-179.7-171.2173.800109W78 R79W78-E187 CarbonylContact C-O 3.57Å; W78-E187 VanDerWaalsContact CA-O 3.24Å; W78-E187 WeakPolarHBondContact CA-O 3.44Å; W78-E187 WeakPolarHBondContact CB-O 3.42Å; R79-E187 HydrophobicContact CG-CB 4.25Å; R79-E187 IonicContact CZ-OE1 2.79Å; R79-E187 IonicContact CZ-OE2 3.66Å; R79-E187 PolarHBondContact N-O 3.45Å; R79-E187 IonicContact NE-OE1 2.8Å; R79-E187 IonicContact NE-OE2 3.35Å; R79-E187 PolarHBondContact NE-OE2 2.93Å; R79-E187 IonicContact NH2-OE1 2.61Å; R79-E187 PolarHBondContact NH2-OE1 3.46Å; R79-E187 VanDerWaalsContact NH2-OE1 3.15Å; R79-E187 IonicContact NH2-OE2 3.48Å; R79-E187 PolarHBondContact NH2-OE2 3.43Å; R79-E187 PolarHBondContact O-N 3.33Å
188V96Very high90.3Very high1 Ų145.8 Ų45.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-86.2114.5173.7-171.50000108.6I76 L102 R135 L138 N139 M181 V191I76-V188 HydrophobicContact CG2-CG1 3.53Å; L102-V188 HydrophobicContact CD1-CG2 4.12Å; R135-V188 HydrophobicContact CG-CB 4.27Å; R135-V188 HydrophobicContact CG-CG1 3.99Å; L138-V188 HydrophobicContact CB-CG2 4.05Å; L138-V188 HydrophobicContact CD1-CG2 4.31Å; N139-V188 PolarHBondContact ND2-O 2.73Å; N139-V188 PolarHBondContact OD1-N 3.45Å; M181-V188 HydrophobicContact CB-CG2 4.15Å; M181-V188 HydrophobicContact CG-CG2 3.73Å; V188-V191 HydrophobicContact CG1-CG2 3.58Å
189V95.2Very high90.6Very high43 Ų4341.3 Ų41.326%0.26121%0.21SC..EExtended strand (participates in β ladder)trans-84.3-44.2-176.1-178.50000110.9I52 K77 R79 R135I52-V189 HydrophobicContact CD1-CG1 4.12Å; I52-V189 HydrophobicContact CD1-CG2 4.34Å; I52-V189 HydrophobicContact CG1-CG2 4.24Å; K77-V189 HydrophobicContact CB-CB 4.42Å; K77-V189 PolarHBondContact O-N 3.42Å; R79-V189 HydrophobicContact CB-CG2 4.48Å; R79-V189 HydrophobicContact CG-CG2 3.91Å; R135-V189 VanDerWaalsContact CD-O 3.24Å; R135-V189 WeakPolarHBondContact CD-O 3.11Å; R135-V189 PolarHBondContact NH1-O 3.04Å
190D95.1Very high90.6Very high43 Ų4341.3 Ų41.323%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-149.6148-179.3-163.819.3000110.6K77 R192K77-D190 HydrophobicContact CB-CB 3.98Å; K77-D190 HydrophobicContact CG-CB 4.14Å; K77-D190 PolarHBondContact N-O 3.19Å; K77-D190 PolarHBondContact O-N 3.49Å; K77-D190 VanDerWaalsContact O-N 3.11Å; D190-R192 IonicContact OD1-NE 2.76Å; D190-R192 IonicContact OD2-CZ 2.99Å; D190-R192 IonicContact OD2-NE 3.47Å; D190-R192 PolarHBondContact OD2-NE 2.82Å; D190-R192 IonicContact OD2-NH2 3.53Å; D190-R192 PolarHBondContact OD2-NH2 3.29Å
191V93.2Very high90.2Very high2 Ų248 Ų481%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-132.5130.6174.2173.50000105.7I76 F106 T131 V134 R135 L138 V188I76-V191 HydrophobicContact CG1-CG2 4.44Å; I76-V191 HydrophobicContact CG2-CG2 4.2Å; F106-V191 HydrophobicContact CD2-CG1 4.3Å; F106-V191 HydrophobicContact CE2-CG1 3.5Å; F106-V191 VanDerWaalsContact CE2-CG1 3.5Å; F106-V191 HydrophobicContact CZ-CG1 4.26Å; T131-V191 WeakPolarHBondContact CB-O 3.2Å; T131-V191 HydrophobicContact CG2-CG1 4.45Å; T131-V191 WeakPolarHBondContact CG2-O 3.36Å; V134-V191 HydrophobicContact CG1-CG1 4.2Å; R135-V191 HydrophobicContact CB-CB 4.32Å; R135-V191 HydrophobicContact CB-CG2 3.9Å; R135-V191 HydrophobicContact CG-CG2 4.29Å; L138-V191 HydrophobicContact CD1-CG2 4.39Å; V188-V191 HydrophobicContact CG1-CG2 3.58Å
192R92.2Very high89.4Confident128 Ų12851.1 Ų51.148%0.48326%0.264SS..EExtended strand (participates in β ladder)trans-139151.1175.4-60.1-151.8-166.3-159.7-11.7112.7S74 Y75 D190S74-R192 CarbonylContact C-O 3.56Å; S74-R192 WeakPolarHBondContact CA-O 3.47Å; S74-R192 VanDerWaalsContact CB-O 3.25Å; S74-R192 WeakPolarHBondContact CB-O 3.19Å; Y75-R192 HydrophobicContact CD1-CB 4.18Å; Y75-R192 HydrophobicContact CE1-CB 3.59Å; Y75-R192 HydrophobicContact CE1-CG 4.31Å; Y75-R192 HydrophobicContact CE2-CB 4.1Å; Y75-R192 HydrophobicContact CE2-CG 4.17Å; Y75-R192 PolarHBondContact N-O 2.82Å; Y75-R192 PolarHBondContact O-N 3.35Å; Y75-R192 WeakPolarHBondContact OH-CD 3.34Å; Y75-R192 PolarHBondContact OH-NE 2.77Å; D190-R192 IonicContact OD1-NE 2.76Å; D190-R192 IonicContact OD2-CZ 2.99Å; D190-R192 IonicContact OD2-NE 3.47Å; D190-R192 PolarHBondContact OD2-NE 2.82Å; D190-R192 IonicContact OD2-NH2 3.53Å; D190-R192 PolarHBondContact OD2-NH2 3.29Å
193I91.6Very high88.6Confident26 Ų2651.1 Ų51.113%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-93.6124.9169.8-62.4171.5000107.8V72 D73 L130 T131 I196V72-I193 HydrophobicContact CG1-CD1 4.42Å; V72-I193 HydrophobicContact CG1-CG1 4.24Å; V72-I193 HydrophobicContact CG1-CG2 3.9Å; D73-I193 CarbonylContact O-C 3.6Å; L130-I193 HydrophobicContact CD2-CD1 3.61Å; L130-I193 HydrophobicContact CG-CD1 4.4Å; T131-I193 HydrophobicContact CG2-CD1 4.23Å; T131-I193 HydrophobicContact CG2-CG1 3.96Å; I193-I196 HydrophobicContact CD1-CD1 4.43Å; I193-I196 HydrophobicContact CG2-CD1 4.05Å; I193-I196 HydrophobicContact CG2-CG1 3.6Å
194K91.3Very high88.1Confident91 Ų9156.8 Ų56.840%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-79.2-50.4174.2-61.7-175.3-165.3157.20110.7D56 D73 Y75D56-K194 WeakPolarHBondContact OD1-CE 3.43Å; D56-K194 IonicContact OD1-NZ 2.93Å; D56-K194 PolarHBondContact OD1-NZ 2.94Å; D56-K194 IonicContact OD2-NZ 2.7Å; D56-K194 PolarHBondContact OD2-NZ 3.01Å; D73-K194 HydrophobicContact CB-CB 4.25Å; D73-K194 PolarHBondContact O-N 3.29Å; D73-K194 WeakPolarHBondContact OD1-CD 3.38Å; D73-K194 IonicContact OD1-NZ 2.98Å; D73-K194 PolarHBondContact OD1-NZ 2.73Å; D73-K194 IonicContact OD2-NZ 3.86Å; Y75-K194 HydrophobicContact CD1-CD 4.32Å; Y75-K194 HydrophobicContact CD1-CG 3.69Å; Y75-K194 HydrophobicContact CE1-CG 4.25Å
195Q90.7Very high87.6Confident104 Ų10459.3 Ų59.349%0.48631%0.308SS..EExtended strand (participates in β ladder)trans-153.7148.1-174.2-172.2167.3-6.500111.5D73 N197D73-Q195 PolarHBondContact N-O 3.48Å; D73-Q195 PolarHBondContact O-N 3.48Å; Q195-N197 VanDerWaalsContact NE2-CG 3.28Å; Q195-N197 PolarHBondContact NE2-ND2 3.44Å; Q195-N197 PolarHBondContact NE2-OD1 3.33Å
196I90.5Very high86.9Confident37 Ų3762.7 Ų62.719%0.1933%0.326CS..EExtended strand (participates in β ladder)trans-125.5120.2172.9-55.2-177.9000107.4L70 I71 V72 I122 I193L70-I196 HydrophobicContact CB-CG2 4.12Å; L70-I196 HydrophobicContact CD1-CG2 3.91Å; L70-I196 HydrophobicContact CD2-CG2 4.06Å; L70-I196 HydrophobicContact CG-CG2 4.27Å; I71-I196 WeakPolarHBondContact O-CA 3.47Å; V72-I196 HydrophobicContact CG1-CG1 4.49Å; V72-I196 HydrophobicContact CG2-CG1 4.4Å; V72-I196 HydrophobicContact CG2-CG2 4.38Å; I122-I196 HydrophobicContact CG2-CD1 3.51Å; I193-I196 HydrophobicContact CD1-CD1 4.43Å; I193-I196 HydrophobicContact CG2-CD1 4.05Å; I193-I196 HydrophobicContact CG2-CG1 3.6Å
197N88.9Confident86.1Confident72 Ų7268.7 Ų68.739%0.38535%0.349SS..EExtended strand (participates in β ladder)trans-122.7157.6179.1-70.2-31000110.9L70 I71 Q195L70-N197 CarbonylContact C-O 3.6Å; L70-N197 WeakPolarHBondContact CA-O 3.28Å; I71-N197 HydrophobicContact CB-CB 4.36Å; I71-N197 PolarHBondContact N-O 3.26Å; I71-N197 PolarHBondContact O-N 2.89Å; Q195-N197 VanDerWaalsContact NE2-CG 3.28Å; Q195-N197 PolarHBondContact NE2-ND2 3.44Å; Q195-N197 PolarHBondContact NE2-OD1 3.33Å
198L85.8Confident85.6Confident63 Ų6369.5 Ų69.533%0.3336%0.355SS..  trans-81.4145.9163.5-66.6163.6000108.7L70L70-L198 HydrophobicContact CD2-CD2 3.99Å
199P85.4Confident85.2Confident5 Ų578 Ų783%0.03239%0.387CS..  trans-55.3142.2171.2-2230.9000111.3D69 I71 E201 V202D69-P199 HydrophobicContact CB-CG 3.63Å; D69-P199 WeakPolarHBondContact O-CD 3.46Å; I71-P199 HydrophobicContact CD1-CG 4.31Å; I71-P199 HydrophobicContact CG1-CB 4.46Å; I71-P199 HydrophobicContact CG1-CG 4.14Å; P199-E201 WeakPolarHBondContact CB-OE2 3.45Å; P199-E201 PolarHBondContact O-N 3.49Å; P199-E201 VanDerWaalsContact O-N 3.16Å; P199-V202 HydrophobicContact CB-CG2 4.42Å; P199-V202 WeakPolarHBondContact O-CG2 3.47Å; P199-V202 PolarHBondContact O-N 2.85Å
200T82Confident84.6Confident113 Ų11379.6 Ų79.669%0.69339%0.393SS*.Hα-helixtrans-62.7-25.2-174.352.10000113S203T200-S203 WeakPolarHBondContact O-CB 2.89Å; T200-S203 PolarHBondContact O-N 3.3Å; T200-S203 PolarHBondContact O-OG 3.47Å
201E80.2Confident84.3Confident143 Ų14384.9 Ų84.967%0.66841%0.41SS*.Hα-helixtrans-69.7-33.9-176.5-54.884.2170.800113.1P199P199-E201 WeakPolarHBondContact CB-OE2 3.45Å; P199-E201 PolarHBondContact O-N 3.49Å; P199-E201 VanDerWaalsContact O-N 3.16Å
202V72.9Confident84.3Confident65 Ų6587.4 Ų87.439%0.39443%0.431SS..Hα-helixtrans-93-10.9179.7-63.90000112.5P199 I206P199-V202 HydrophobicContact CB-CG2 4.42Å; P199-V202 WeakPolarHBondContact O-CG2 3.47Å; P199-V202 PolarHBondContact O-N 2.85Å; V202-I206 HydrophobicContact CB-CG1 4.34Å; V202-I206 WeakPolarHBondContact O-CB 3.42Å; V202-I206 WeakPolarHBondContact O-CG1 3.46Å; V202-I206 PolarHBondContact O-N 2.99Å
203S71.9Confident84.2Confident30 Ų3086.8 Ų86.821%0.2143%0.433CS..Hα-helixtrans-62.2-54.7-164.171.40000112.9T200 A205 I206 Y207T200-S203 WeakPolarHBondContact O-CB 2.89Å; T200-S203 PolarHBondContact O-N 3.3Å; T200-S203 PolarHBondContact O-OG 3.47Å; S203-A205 PolarHBondContact O-N 3.02Å; S203-I206 PolarHBondContact O-N 3.14Å; S203-Y207 VanDerWaalsContact C-CD2 3.41Å; S203-Y207 WeakPolarHBondContact O-CB 3.11Å; S203-Y207 WeakPolarHBondContact O-CD2 3.42Å; S203-Y207 PolarHBondContact O-N 3.01Å
204E76.7Confident84.3Confident142 Ų14294.6 Ų94.666%0.66446%0.461SS*.Hα-helixtrans-64.9-46-171.4-171173-169.400113.1I206 Y207 N208E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 2.83Å; E204-Y207 PolarHBondContact O-N 3.02Å; E204-N208 WeakPolarHBondContact O-CB 3.24Å; E204-N208 VanDerWaalsContact O-CG 3.27Å; E204-N208 PolarHBondContact O-N 2.65Å; E204-N208 PolarHBondContact O-ND2 3.4Å
205A79.3Confident84.4Confident72 Ų7294.8 Ų94.860%0.59546%0.464SS*.Hα-helixtrans-63-41178.100000111.9S203 N208 R209S203-A205 PolarHBondContact O-N 3.02Å; A205-N208 PolarHBondContact O-N 2.92Å; A205-R209 WeakPolarHBondContact O-CB 3.4Å; A205-R209 PolarHBondContact O-N 2.82Å
206I75.5Confident84.6Confident72 Ų7291.8 Ų91.837%0.36946%0.457SS..Hα-helixtrans-69.4-40.8177.9-63.7-66.5000110.7V202 S203 E204 N208 R209 M210V202-I206 HydrophobicContact CB-CG1 4.34Å; V202-I206 WeakPolarHBondContact O-CB 3.42Å; V202-I206 WeakPolarHBondContact O-CG1 3.46Å; V202-I206 PolarHBondContact O-N 2.99Å; S203-I206 PolarHBondContact O-N 3.14Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 2.83Å; I206-N208 PolarHBondContact O-N 3.4Å; I206-R209 PolarHBondContact O-N 2.82Å; I206-M210 HydrophobicContact CG2-CE 3.93Å; I206-M210 HydrophobicContact CG2-CG 4.27Å; I206-M210 HydrophobicContact CG2-SD 4.23Å; I206-M210 WeakPolarHBondContact O-CB 3.3Å; I206-M210 VanDerWaalsContact O-CG 3.3Å; I206-M210 WeakPolarHBondContact O-CG 3.4Å; I206-M210 PolarHBondContact O-N 3.39Å
207Y79.4Confident84.8Confident127 Ų12793 Ų9350%0.49847%0.465SS..Hα-helixtrans-61.8-42.4174.7-74.3-57.4000112.4S203 E204 M210 R211S203-Y207 VanDerWaalsContact C-CD2 3.41Å; S203-Y207 WeakPolarHBondContact O-CB 3.11Å; S203-Y207 WeakPolarHBondContact O-CD2 3.42Å; S203-Y207 PolarHBondContact O-N 3.01Å; E204-Y207 PolarHBondContact O-N 3.02Å; Y207-M210 HydrophobicContact CD1-CE 3.31Å; Y207-M210 HydrophobicContact CE1-CE 3.67Å; Y207-M210 HydrophobicContact CG-CE 4.16Å; Y207-M210 PolarHBondContact O-N 3.42Å; Y207-R211 WeakPolarHBondContact O-CB 3.4Å; Y207-R211 PolarHBondContact O-N 3.32Å
208N84.6Confident85.1Confident80 Ų8090.9 Ų90.943%0.42846%0.458SS..Hα-helixtrans-63.5-43.2176.7-71.9-24.3000111.4E204 A205 I206 R211 A212E204-N208 WeakPolarHBondContact O-CB 3.24Å; E204-N208 VanDerWaalsContact O-CG 3.27Å; E204-N208 PolarHBondContact O-N 2.65Å; E204-N208 PolarHBondContact O-ND2 3.4Å; A205-N208 PolarHBondContact O-N 2.92Å; I206-N208 PolarHBondContact O-N 3.4Å; N208-R211 PolarHBondContact O-N 2.9Å; N208-A212 PolarHBondContact O-N 2.9Å; N208-A212 VanDerWaalsContact O-N 3.08Å
209R86.1Confident85.5Confident179 Ų17994.5 Ų94.568%0.67547%0.467SS*.Hα-helixtrans-63.4-46.3174.6-176.9177.2175.9155.90.5112.3A205 I206 R211 A212 E213A205-R209 WeakPolarHBondContact O-CB 3.4Å; A205-R209 PolarHBondContact O-N 2.82Å; I206-R209 PolarHBondContact O-N 2.82Å; R209-R211 VanDerWaalsContact C-N 3.29Å; R209-R211 PolarHBondContact O-N 2.92Å; R209-A212 PolarHBondContact O-N 3.27Å; R209-E213 WeakPolarHBondContact O-CB 3.4Å; R209-E213 PolarHBondContact O-N 3.08Å
210M83.8Confident86Confident77 Ų77102.7 Ų102.738%0.37950%0.498SS..Hα-helixtrans-61.8-38.6178-75.7-170.7-59.500111.6I206 Y207 E213 R214I206-M210 HydrophobicContact CG2-CE 3.93Å; I206-M210 HydrophobicContact CG2-CG 4.27Å; I206-M210 HydrophobicContact CG2-SD 4.23Å; I206-M210 WeakPolarHBondContact O-CB 3.3Å; I206-M210 VanDerWaalsContact O-CG 3.3Å; I206-M210 WeakPolarHBondContact O-CG 3.4Å; I206-M210 PolarHBondContact O-N 3.39Å; Y207-M210 HydrophobicContact CD1-CE 3.31Å; Y207-M210 HydrophobicContact CE1-CE 3.67Å; Y207-M210 HydrophobicContact CG-CE 4.16Å; Y207-M210 PolarHBondContact O-N 3.42Å; M210-E213 PolarHBondContact O-N 2.81Å; M210-R214 VanDerWaalsContact O-CB 3.31Å; M210-R214 WeakPolarHBondContact O-CB 3.18Å; M210-R214 WeakPolarHBondContact O-CG 3.31Å; M210-R214 PolarHBondContact O-N 3.41Å
211R87.8Confident86.6Confident154 Ų154103.1 Ų103.158%0.58149%0.491SS*.Hα-helixtrans-62.1-50.2175.8-169.7-177.5-52.5-177.76.6110.9Y207 N208 R209 E213 R214 E215Y207-R211 WeakPolarHBondContact O-CB 3.4Å; Y207-R211 PolarHBondContact O-N 3.32Å; N208-R211 PolarHBondContact O-N 2.9Å; R209-R211 VanDerWaalsContact C-N 3.29Å; R209-R211 PolarHBondContact O-N 2.92Å; R211-E213 VanDerWaalsContact C-N 3.3Å; R211-E213 PolarHBondContact O-N 3.28Å; R211-R214 PolarHBondContact O-N 2.86Å; R211-E215 WeakPolarHBondContact O-CB 3.31Å; R211-E215 VanDerWaalsContact O-CG 3.31Å; R211-E215 WeakPolarHBondContact O-CG 3.31Å; R211-E215 PolarHBondContact O-N 3.37Å
212A93.8Very high87.3Confident55 Ų55104 Ų10446%0.45549%0.489SS..Hα-helixtrans-59.8-40.8177.500000112.1N208 R209 A216N208-A212 PolarHBondContact O-N 2.9Å; N208-A212 VanDerWaalsContact O-N 3.08Å; R209-A212 PolarHBondContact O-N 3.27Å; A212-A216 WeakPolarHBondContact O-CB 3.36Å; A212-A216 PolarHBondContact O-N 2.82Å
213E90.6Very high88.4Confident115 Ų115104.2 Ų104.254%0.53749%0.493SS..Hα-helixtrans-67.3-44.3176.9-172.1170.5-175.200112R209 M210 R211 E215 A216 V217R209-E213 WeakPolarHBondContact O-CB 3.4Å; R209-E213 PolarHBondContact O-N 3.08Å; M210-E213 PolarHBondContact O-N 2.81Å; R211-E213 VanDerWaalsContact C-N 3.3Å; R211-E213 PolarHBondContact O-N 3.28Å; E213-E215 VanDerWaalsContact C-N 3.35Å; E213-E215 PolarHBondContact O-N 2.9Å; E213-A216 WeakPolarHBondContact O-CB 3.41Å; E213-A216 PolarHBondContact O-N 3.19Å; E213-V217 VanDerWaalsContact O-CG2 3.3Å; E213-V217 WeakPolarHBondContact O-CG2 3.3Å; E213-V217 PolarHBondContact O-N 2.85Å
214R93.1Very high89.5Confident190 Ų190106.4 Ų106.472%0.71750%0.5SS*.Hα-helixtrans-63.7-40175.6-72.6-67.6-177-177.80.1112.1M210 R211 V217 A218M210-R214 VanDerWaalsContact O-CB 3.31Å; M210-R214 WeakPolarHBondContact O-CB 3.18Å; M210-R214 WeakPolarHBondContact O-CG 3.31Å; M210-R214 PolarHBondContact O-N 3.41Å; R211-R214 PolarHBondContact O-N 2.86Å; R214-V217 PolarHBondContact O-N 3.44Å; R214-A218 VanDerWaalsContact O-CB 3.28Å; R214-A218 WeakPolarHBondContact O-CB 3.47Å; R214-A218 PolarHBondContact O-N 2.84Å
215E93.2Very high90.5Very high96 Ų96101.4 Ų101.445%0.44949%0.486SS..Hα-helixtrans-64.7-40.4173.6-74.1175.3-166.600111.5R211 E213 A218 R219R211-E215 WeakPolarHBondContact O-CB 3.31Å; R211-E215 VanDerWaalsContact O-CG 3.31Å; R211-E215 WeakPolarHBondContact O-CG 3.31Å; R211-E215 PolarHBondContact O-N 3.37Å; E213-E215 VanDerWaalsContact C-N 3.35Å; E213-E215 PolarHBondContact O-N 2.9Å; E215-A218 PolarHBondContact O-N 3.31Å; E215-R219 WeakPolarHBondContact O-CB 3.28Å; E215-R219 VanDerWaalsContact O-CG 3.31Å; E215-R219 WeakPolarHBondContact O-CG 3.46Å; E215-R219 PolarHBondContact O-N 3.5Å; E215-R219 IonicContact OE2-NH1 3.92Å
216A95Very high91.2Very high41 Ų41104.3 Ų104.334%0.33949%0.488SS..Hα-helixtrans-64.1-44.817500000112A212 E213 A218 R219 R220A212-A216 WeakPolarHBondContact O-CB 3.36Å; A212-A216 PolarHBondContact O-N 2.82Å; E213-A216 WeakPolarHBondContact O-CB 3.41Å; E213-A216 PolarHBondContact O-N 3.19Å; A216-A218 VanDerWaalsContact C-N 3.35Å; A216-A218 PolarHBondContact O-N 2.8Å; A216-R219 PolarHBondContact O-N 3.39Å; A216-R220 WeakPolarHBondContact O-CB 3.41Å; A216-R220 PolarHBondContact O-N 3.47Å
217V94.3Very high92.2Very high61 Ų61105.8 Ų105.837%0.3749%0.493SS..Hα-helixtrans-60.1-45.4174.3170.10000110.4E213 R214 R220 H221E213-V217 VanDerWaalsContact O-CG2 3.3Å; E213-V217 WeakPolarHBondContact O-CG2 3.3Å; E213-V217 PolarHBondContact O-N 2.85Å; R214-V217 PolarHBondContact O-N 3.44Å; V217-R220 PolarHBondContact O-N 3.45Å; V217-H221 PolarHBondContact O-CD2 2.96Å; V217-H221 PolarHBondContact O-N 3.17Å
218A95.6Very high92.9Very high28 Ų28106.4 Ų106.423%0.23150%0.5CS..Hα-helixtrans-65.4-40.5177.100000112.5R214 E215 A216 R220 H221 R222R214-A218 VanDerWaalsContact O-CB 3.28Å; R214-A218 WeakPolarHBondContact O-CB 3.47Å; R214-A218 PolarHBondContact O-N 2.84Å; E215-A218 PolarHBondContact O-N 3.31Å; A216-A218 VanDerWaalsContact C-N 3.35Å; A216-A218 PolarHBondContact O-N 2.8Å; A218-R220 VanDerWaalsContact C-N 3.35Å; A218-H221 PolarHBondContact O-N 3.31Å; A218-R222 WeakPolarHBondContact O-CB 3.42Å; A218-R222 VanDerWaalsContact O-CG 3.28Å; A218-R222 WeakPolarHBondContact O-CG 3.45Å; A218-R222 PolarHBondContact O-N 2.87Å
219R94.4Very high93.4Very high140 Ų140104 Ų10453%0.52849%0.492SS..Hα-helixtrans-60.7-44.1173.6-77.8-169.3-58.9-911.9111.2E215 A216 R222 S223E215-R219 WeakPolarHBondContact O-CB 3.28Å; E215-R219 VanDerWaalsContact O-CG 3.31Å; E215-R219 WeakPolarHBondContact O-CG 3.46Å; E215-R219 PolarHBondContact O-N 3.5Å; E215-R219 IonicContact OE2-NH1 3.92Å; A216-R219 PolarHBondContact O-N 3.39Å; R219-R222 PolarHBondContact O-N 3.32Å; R219-S223 WeakPolarHBondContact O-CB 3.28Å; R219-S223 PolarHBondContact O-N 2.92Å
220R95.4Very high93.8Very high177 Ų177100.7 Ų100.767%0.66848%0.484SS*.Hα-helixtrans-61.2-48.7177.2-172.5175.6-175.71552.1111.5A216 V217 A218 R222 S223 Q224A216-R220 WeakPolarHBondContact O-CB 3.41Å; A216-R220 PolarHBondContact O-N 3.47Å; V217-R220 PolarHBondContact O-N 3.45Å; A218-R220 VanDerWaalsContact C-N 3.35Å; R220-R222 VanDerWaalsContact C-N 3.33Å; R220-R222 PolarHBondContact O-N 2.84Å; R220-S223 PolarHBondContact O-N 2.85Å; R220-Q224 WeakPolarHBondContact O-CB 3.47Å; R220-Q224 VanDerWaalsContact O-CG 3.32Å; R220-Q224 WeakPolarHBondContact O-CG 3.14Å; R220-Q224 PolarHBondContact O-N 3.48Å
221H95.2Very high94.4Very high121 Ų121102.9 Ų102.956%0.5649%0.491SS*.Hα-helixtrans-62.9-37.6176.7-75.9-58.3000112.9V217 A218 Q224 G225V217-H221 PolarHBondContact O-CD2 2.96Å; V217-H221 PolarHBondContact O-N 3.17Å; A218-H221 PolarHBondContact O-N 3.31Å; H221-Q224 PolarHBondContact O-N 2.88Å; H221-G225 PolarHBondContact O-N 3.43Å
222R94.9Very high94.8Very high162 Ų162101.6 Ų101.661%0.61150%0.495SS*.Hα-helixtrans-67-41.9174.7-72.5-177.6-164.4107.8-2.6112.2A218 R219 R220 G225 Q226A218-R222 WeakPolarHBondContact O-CB 3.42Å; A218-R222 VanDerWaalsContact O-CG 3.28Å; A218-R222 WeakPolarHBondContact O-CG 3.45Å; A218-R222 PolarHBondContact O-N 2.87Å; R219-R222 PolarHBondContact O-N 3.32Å; R220-R222 VanDerWaalsContact C-N 3.33Å; R220-R222 PolarHBondContact O-N 2.84Å; R222-G225 PolarHBondContact O-N 3.4Å; R222-Q226 WeakPolarHBondContact O-CB 3.27Å; R222-Q226 VanDerWaalsContact O-CG 3.27Å; R222-Q226 WeakPolarHBondContact O-CG 3.38Å; R222-Q226 PolarHBondContact O-N 3.27Å
223S95.7Very high94.9Very high70 Ų70105.6 Ų105.649%0.4950%0.499SS..Hα-helixtrans-63.1-42.5175.4-173.70000111.5R219 R220 Q226 E227R219-S223 WeakPolarHBondContact O-CB 3.28Å; R219-S223 PolarHBondContact O-N 2.92Å; R220-S223 PolarHBondContact O-N 2.85Å; S223-Q226 PolarHBondContact O-N 3.39Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 PolarHBondContact O-N 2.91Å
224Q95.5Very high95.2Very high76 Ų76103 Ų10336%0.35550%0.497SS..Hα-helixtrans-64-46.8175.4-73.9175.7-36.500111.3R220 H221 Q226 E227 E228R220-Q224 WeakPolarHBondContact O-CB 3.47Å; R220-Q224 VanDerWaalsContact O-CG 3.32Å; R220-Q224 WeakPolarHBondContact O-CG 3.14Å; R220-Q224 PolarHBondContact O-N 3.48Å; H221-Q224 PolarHBondContact O-N 2.88Å; Q224-Q226 VanDerWaalsContact C-N 3.3Å; Q224-Q226 PolarHBondContact O-N 2.92Å; Q224-E227 PolarHBondContact O-N 3.22Å; Q224-E228 WeakPolarHBondContact O-CB 3.42Å; Q224-E228 WeakPolarHBondContact O-CG 3.45Å; Q224-E228 PolarHBondContact O-N 2.66Å
225G97.1Very high95.4Very high36 Ų3697.4 Ų97.437%0.37148%0.484SS..Hα-helixtrans-62.4-35.7175.900000113H221 R222 A229H221-G225 PolarHBondContact O-N 3.43Å; R222-G225 PolarHBondContact O-N 3.4Å; G225-A229 WeakPolarHBondContact O-CB 3.41Å; G225-A229 PolarHBondContact O-N 3.38Å
226Q95.3Very high95.5Very high134 Ų13495 Ų9563%0.62648%0.48SS*.Hα-helixtrans-67.3-44.8173.1-77.6176.8-15.400111.7R222 S223 Q224 A229 E230R222-Q226 WeakPolarHBondContact O-CB 3.27Å; R222-Q226 VanDerWaalsContact O-CG 3.27Å; R222-Q226 WeakPolarHBondContact O-CG 3.38Å; R222-Q226 PolarHBondContact O-N 3.27Å; S223-Q226 PolarHBondContact O-N 3.39Å; Q224-Q226 VanDerWaalsContact C-N 3.3Å; Q224-Q226 PolarHBondContact O-N 2.92Å; Q226-A229 PolarHBondContact O-N 2.83Å; Q226-E230 WeakPolarHBondContact O-CB 3.33Å; Q226-E230 WeakPolarHBondContact O-CG 3.44Å; Q226-E230 PolarHBondContact O-N 3.36Å
227E95.3Very high95.6Very high103 Ų10398.1 Ų98.148%0.48149%0.491SS..Hα-helixtrans-62.8-45.5177.4-170.6-167.315100111.9S223 Q224 A229 E230 K231S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 PolarHBondContact O-N 2.91Å; Q224-E227 PolarHBondContact O-N 3.22Å; E227-A229 VanDerWaalsContact C-N 3.35Å; E227-E230 PolarHBondContact O-N 2.96Å; E227-K231 HydrophobicContact CG-CD 4.46Å; E227-K231 WeakPolarHBondContact O-CB 3.31Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 3.32Å; E227-K231 WeakPolarHBondContact OE1-CE 3.43Å; E227-K231 IonicContact OE1-NZ 2.73Å; E227-K231 PolarHBondContact OE1-NZ 2.85Å
228E94.3Very high95.8Very high139 Ų139102.4 Ų102.465%0.6550%0.502SS*.Hα-helixtrans-62.8-41.4175.1-73.1-177.1-179.200111.4Q224 K231 L232Q224-E228 WeakPolarHBondContact O-CB 3.42Å; Q224-E228 WeakPolarHBondContact O-CG 3.45Å; Q224-E228 PolarHBondContact O-N 2.66Å; E228-K231 PolarHBondContact O-N 2.73Å; E228-L232 WeakPolarHBondContact O-CB 3.38Å; E228-L232 PolarHBondContact O-N 3.49Å
229A95.8Very high95.8Very high31 Ų31105.6 Ų105.626%0.25651%0.512SS..Hα-helixtrans-65.2-41.4175.600000112.5G225 Q226 E227 L232 R233G225-A229 WeakPolarHBondContact O-CB 3.41Å; G225-A229 PolarHBondContact O-N 3.38Å; Q226-A229 PolarHBondContact O-N 2.83Å; E227-A229 VanDerWaalsContact C-N 3.35Å; A229-L232 PolarHBondContact O-N 3.37Å; A229-R233 VanDerWaalsContact O-CG 3.31Å; A229-R233 WeakPolarHBondContact O-CG 3.49Å; A229-R233 PolarHBondContact O-N 2.91Å
230E94.6Very high95.9Very high109 Ų109103 Ų10351%0.50951%0.511SS..Hα-helixtrans-65.5-43.3176.4-75.2-54.813600111.8Q226 E227 L232 R233 A234Q226-E230 WeakPolarHBondContact O-CB 3.33Å; Q226-E230 WeakPolarHBondContact O-CG 3.44Å; Q226-E230 PolarHBondContact O-N 3.36Å; E227-E230 PolarHBondContact O-N 2.96Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 2.94Å; E230-R233 PolarHBondContact O-N 2.84Å; E230-R233 IonicContact OE1-CZ 3.4Å; E230-R233 IonicContact OE1-NH1 3.96Å; E230-R233 PolarHBondContact OE1-NH1 3.42Å; E230-A234 WeakPolarHBondContact O-CB 3.42Å; E230-A234 PolarHBondContact O-N 2.98Å
231K96.2Very high96Very high123 Ų12399 Ų9954%0.53551%0.506SS..Hα-helixtrans-58.4-44172.9-77170.4172167.60111.8E227 E228 T235E227-K231 HydrophobicContact CG-CD 4.46Å; E227-K231 WeakPolarHBondContact O-CB 3.31Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 3.32Å; E227-K231 WeakPolarHBondContact OE1-CE 3.43Å; E227-K231 IonicContact OE1-NZ 2.73Å; E227-K231 PolarHBondContact OE1-NZ 2.85Å; E228-K231 PolarHBondContact O-N 2.73Å; K231-T235 WeakPolarHBondContact O-CB 3.4Å; K231-T235 PolarHBondContact O-N 3.29Å; K231-T235 PolarHBondContact O-OG1 2.99Å
232L95.1Very high96.1Very high126 Ų12699.3 Ų99.366%0.6650%0.503SS*.Hα-helixtrans-64-43.7178.2-178.662.1000111.5E228 A229 E230 T235 A236E228-L232 WeakPolarHBondContact O-CB 3.38Å; E228-L232 PolarHBondContact O-N 3.49Å; A229-L232 PolarHBondContact O-N 3.37Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 2.94Å; L232-T235 PolarHBondContact O-N 2.91Å; L232-A236 WeakPolarHBondContact O-CB 3.42Å; L232-A236 PolarHBondContact O-N 2.89Å
233R96.2Very high96.2Very high140 Ų14095.7 Ų95.753%0.52850%0.499SS..Hα-helixtrans-62-49.7176-74.6174.6-172.4135.15.7112A229 E230 T235 A236 D237A229-R233 VanDerWaalsContact O-CG 3.31Å; A229-R233 WeakPolarHBondContact O-CG 3.49Å; A229-R233 PolarHBondContact O-N 2.91Å; E230-R233 PolarHBondContact O-N 2.84Å; E230-R233 IonicContact OE1-CZ 3.4Å; E230-R233 IonicContact OE1-NH1 3.96Å; E230-R233 PolarHBondContact OE1-NH1 3.42Å; R233-T235 VanDerWaalsContact C-N 3.26Å; R233-T235 PolarHBondContact O-N 3.11Å; R233-A236 WeakPolarHBondContact O-CB 3.34Å; R233-A236 PolarHBondContact O-N 3.32Å; R233-A236 VanDerWaalsContact O-N 3.11Å; R233-D237 PolarHBondContact O-N 3.39Å
234A96.9Very high96.2Very high61 Ų6197.4 Ų97.450%0.50450%0.502SS..Hα-helixtrans-60.4-38.1178.400000112.2E230 Y238E230-A234 WeakPolarHBondContact O-CB 3.42Å; E230-A234 PolarHBondContact O-N 2.98Å; A234-Y238 VanDerWaalsContact O-CB 3.3Å; A234-Y238 WeakPolarHBondContact O-CB 3.49Å; A234-Y238 PolarHBondContact O-N 3.36Å
235T97.1Very high96.3Very high72 Ų7296.4 Ų96.444%0.44251%0.507SS..Hα-helixtrans-66-44.6174.7-54.60000111.1K231 L232 R233 Y238 E239K231-T235 WeakPolarHBondContact O-CB 3.4Å; K231-T235 PolarHBondContact O-N 3.29Å; K231-T235 PolarHBondContact O-OG1 2.99Å; L232-T235 PolarHBondContact O-N 2.91Å; R233-T235 VanDerWaalsContact C-N 3.26Å; R233-T235 PolarHBondContact O-N 3.11Å; T235-Y238 PolarHBondContact O-N 3.18Å; T235-E239 WeakPolarHBondContact O-CG 3.3Å; T235-E239 PolarHBondContact O-N 2.75Å
236A96.7Very high96.3Very high44 Ų4499.2 Ų99.236%0.36451%0.51SS..Hα-helixtrans-62-45.5176.700000112L232 R233 Y238 E239 V240L232-A236 WeakPolarHBondContact O-CB 3.42Å; L232-A236 PolarHBondContact O-N 2.89Å; R233-A236 WeakPolarHBondContact O-CB 3.34Å; R233-A236 PolarHBondContact O-N 3.32Å; R233-A236 VanDerWaalsContact O-N 3.11Å; A236-Y238 VanDerWaalsContact C-N 3.32Å; A236-Y238 PolarHBondContact O-N 2.9Å; A236-E239 PolarHBondContact O-N 3.43Å; A236-V240 WeakPolarHBondContact O-CG2 3.36Å; A236-V240 PolarHBondContact O-N 3.24Å
237D97Very high96.4Very high107 Ų10795.7 Ų95.757%0.57250%0.504SS*.Hα-helixtrans-62.5-40.3178-69.9-21.7000111.6R233 T241R233-D237 PolarHBondContact O-N 3.39Å; D237-T241 WeakPolarHBondContact O-CB 3.26Å; D237-T241 PolarHBondContact O-N 2.81Å; D237-T241 PolarHBondContact O-OG1 3.48Å
238Y97.1Very high96.5Very high151 Ų15196.1 Ų96.159%0.59251%0.506SS*.Hα-helixtrans-62.6-45.4173.2174.1-99.7000111.8A234 T235 A236 T241 R242A234-Y238 VanDerWaalsContact O-CB 3.3Å; A234-Y238 WeakPolarHBondContact O-CB 3.49Å; A234-Y238 PolarHBondContact O-N 3.36Å; T235-Y238 PolarHBondContact O-N 3.18Å; A236-Y238 VanDerWaalsContact C-N 3.32Å; A236-Y238 PolarHBondContact O-N 2.9Å; Y238-T241 PolarHBondContact O-N 3Å; Y238-R242 WeakPolarHBondContact O-CB 3.42Å; Y238-R242 PolarHBondContact O-N 2.87Å
239E97Very high96.6Very high95 Ų9596.1 Ų96.144%0.44450%0.5SS..Hα-helixtrans-64.2-41.6178.9-75.7-173162.400112.3T235 A236 R242 T243T235-E239 WeakPolarHBondContact O-CG 3.3Å; T235-E239 PolarHBondContact O-N 2.75Å; A236-E239 PolarHBondContact O-N 3.43Å; E239-R242 PolarHBondContact O-N 2.89Å; E239-T243 VanDerWaalsContact O-CB 3.26Å; E239-T243 WeakPolarHBondContact O-CB 3.42Å; E239-T243 PolarHBondContact O-N 2.93Å; E239-T243 PolarHBondContact O-OG1 3.32Å
240V96.6Very high96.7Very high86 Ų8699.3 Ų99.352%0.52151%0.51SS..Hα-helixtrans-59.7-49.9174.11700000110.1A236 R242 T243 L244A236-V240 WeakPolarHBondContact O-CG2 3.36Å; A236-V240 PolarHBondContact O-N 3.24Å; V240-R242 PolarHBondContact O-N 3.46Å; V240-T243 PolarHBondContact O-N 2.66Å; V240-L244 HydrophobicContact CG1-CD1 3.9Å; V240-L244 HydrophobicContact CG1-CG 4.47Å; V240-L244 WeakPolarHBondContact O-CG 3.35Å; V240-L244 PolarHBondContact O-N 2.9Å
241T96.9Very high96.8Very high92 Ų9295.6 Ų95.656%0.56450%0.501SS*.Hα-helixtrans-60.7-46.7-179.6-56.70000111.5D237 Y238 T243 L244 A245D237-T241 WeakPolarHBondContact O-CB 3.26Å; D237-T241 PolarHBondContact O-N 2.81Å; D237-T241 PolarHBondContact O-OG1 3.48Å; Y238-T241 PolarHBondContact O-N 3Å; T241-T243 VanDerWaalsContact C-N 3.34Å; T241-T243 PolarHBondContact O-N 3.34Å; T241-L244 PolarHBondContact O-N 3.46Å; T241-A245 WeakPolarHBondContact O-CB 3.47Å; T241-A245 PolarHBondContact O-N 3.46Å
242R97Very high96.8Very high129 Ų12997.1 Ų97.149%0.48750%0.503SS..Hα-helixtrans-60.6-44176.7-177.7-172.266-174.7-7.2111.5Y238 E239 V240 A245 E246Y238-R242 WeakPolarHBondContact O-CB 3.42Å; Y238-R242 PolarHBondContact O-N 2.87Å; E239-R242 PolarHBondContact O-N 2.89Å; V240-R242 PolarHBondContact O-N 3.46Å; R242-A245 PolarHBondContact O-N 2.93Å; R242-E246 WeakPolarHBondContact O-CB 3.34Å; R242-E246 PolarHBondContact O-N 2.96Å
243T96.4Very high96.8Very high86 Ų8694.2 Ų94.253%0.52849%0.487SS..Hα-helixtrans-65.5-43.7-178-580000111.1E239 V240 T241 E246 A247E239-T243 VanDerWaalsContact O-CB 3.26Å; E239-T243 WeakPolarHBondContact O-CB 3.42Å; E239-T243 PolarHBondContact O-N 2.93Å; E239-T243 PolarHBondContact O-OG1 3.32Å; V240-T243 PolarHBondContact O-N 2.66Å; T241-T243 VanDerWaalsContact C-N 3.34Å; T241-T243 PolarHBondContact O-N 3.34Å; T243-E246 PolarHBondContact O-N 3.37Å; T243-A247 VanDerWaalsContact O-CB 3.24Å; T243-A247 WeakPolarHBondContact O-CB 3.46Å; T243-A247 PolarHBondContact O-N 2.86Å
244L96.7Very high96.8Very high105 Ų10593.3 Ų93.355%0.5549%0.491SS..Hα-helixtrans-62.9-45.3174.8-71171.9000111.5V240 T241 E246 A247 E248V240-L244 HydrophobicContact CG1-CD1 3.9Å; V240-L244 HydrophobicContact CG1-CG 4.47Å; V240-L244 WeakPolarHBondContact O-CG 3.35Å; V240-L244 PolarHBondContact O-N 2.9Å; T241-L244 PolarHBondContact O-N 3.46Å; L244-E246 PolarHBondContact O-N 3.46Å; L244-A247 PolarHBondContact O-N 2.91Å; L244-E248 WeakPolarHBondContact O-CB 3.24Å; L244-E248 WeakPolarHBondContact O-CG 3.36Å; L244-E248 PolarHBondContact O-N 3.48Å
245A97.6Very high96.7Very high55 Ų5598.2 Ų98.246%0.45550%0.496SS..Hα-helixtrans-62.2-42.3178.900000112.3T241 R242 R249T241-A245 WeakPolarHBondContact O-CB 3.47Å; T241-A245 PolarHBondContact O-N 3.46Å; R242-A245 PolarHBondContact O-N 2.93Å; A245-R249 VanDerWaalsContact O-CB 3.26Å; A245-R249 WeakPolarHBondContact O-CB 3.26Å; A245-R249 PolarHBondContact O-N 3.18Å
246E96.9Very high96.7Very high95 Ų9596.7 Ų96.744%0.44450%0.495SS..Hα-helixtrans-70.9-37.8177.7-166.964.8-173.400111.6R242 T243 L244 R249 Q250R242-E246 WeakPolarHBondContact O-CB 3.34Å; R242-E246 PolarHBondContact O-N 2.96Å; T243-E246 PolarHBondContact O-N 3.37Å; L244-E246 PolarHBondContact O-N 3.46Å; E246-R249 PolarHBondContact O-N 2.97Å; E246-R249 IonicContact OE1-NH1 2.58Å; E246-R249 PolarHBondContact OE1-NH1 3.43Å; E246-R249 IonicContact OE2-NH1 3.18Å; E246-R249 PolarHBondContact OE2-NH1 3.35Å; E246-Q250 WeakPolarHBondContact O-CB 3.32Å; E246-Q250 PolarHBondContact O-N 2.86Å
247A97.1Very high96.7Very high61 Ų61100.6 Ų100.650%0.50451%0.506SS..Hα-helixtrans-63.6-43.8174.200000112T243 L244 Q250 G251T243-A247 VanDerWaalsContact O-CB 3.24Å; T243-A247 WeakPolarHBondContact O-CB 3.46Å; T243-A247 PolarHBondContact O-N 2.86Å; L244-A247 PolarHBondContact O-N 2.91Å; A247-Q250 PolarHBondContact O-N 2.92Å; A247-G251 PolarHBondContact O-N 2.86Å
248E96.7Very high96.7Very high112 Ų11297.1 Ų97.152%0.52350%0.495SS..Hα-helixtrans-64.8-41.2174.5-77.8-172.3-172.700112.3L244 G251 R252L244-E248 WeakPolarHBondContact O-CB 3.24Å; L244-E248 WeakPolarHBondContact O-CG 3.36Å; L244-E248 PolarHBondContact O-N 3.48Å; E248-G251 PolarHBondContact O-N 3.46Å; E248-R252 WeakPolarHBondContact O-CB 3.37Å; E248-R252 VanDerWaalsContact O-CG 3.32Å; E248-R252 WeakPolarHBondContact O-CG 3.3Å; E248-R252 PolarHBondContact O-N 2.85Å; E248-R252 IonicContact OE2-CZ 2.86Å; E248-R252 IonicContact OE2-NH2 3.23Å; E248-R252 PolarHBondContact OE2-NH2 3.23Å
249R97.5Very high96.7Very high139 Ų13994.8 Ų94.853%0.52549%0.493SS..Hα-helixtrans-60.8-49.2176.2179.7-175172.9-146.2-1.6110.1A245 E246 G251 R252 I253A245-R249 VanDerWaalsContact O-CB 3.26Å; A245-R249 WeakPolarHBondContact O-CB 3.26Å; A245-R249 PolarHBondContact O-N 3.18Å; E246-R249 PolarHBondContact O-N 2.97Å; E246-R249 IonicContact OE1-NH1 2.58Å; E246-R249 PolarHBondContact OE1-NH1 3.43Å; E246-R249 IonicContact OE2-NH1 3.18Å; E246-R249 PolarHBondContact OE2-NH1 3.35Å; R249-G251 VanDerWaalsContact C-N 3.35Å; R249-G251 PolarHBondContact O-N 3.48Å; R249-R252 PolarHBondContact O-N 3.34Å; R249-I253 HydrophobicContact CG-CD1 3.95Å; R249-I253 VanDerWaalsContact O-CG1 3.3Å; R249-I253 WeakPolarHBondContact O-CG1 3.27Å; R249-I253 PolarHBondContact O-N 2.86Å
250Q96.9Very high96.6Very high97 Ų9793.1 Ų93.145%0.45350%0.495SS..Hα-helixtrans-62.9-42178.3-169.865.26.300111.5E246 A247 R252 I253 M254E246-Q250 WeakPolarHBondContact O-CB 3.32Å; E246-Q250 PolarHBondContact O-N 2.86Å; A247-Q250 PolarHBondContact O-N 2.92Å; Q250-R252 VanDerWaalsContact C-N 3.35Å; Q250-R252 PolarHBondContact O-N 2.9Å; Q250-I253 PolarHBondContact O-N 3.48Å; Q250-M254 VanDerWaalsContact O-CB 3.31Å; Q250-M254 WeakPolarHBondContact O-CB 3.45Å; Q250-M254 PolarHBondContact O-N 3.23Å
251G96.4Very high96.5Very high31 Ų3196 Ų9632%0.3250%0.503SS..Hα-helixtrans-63.2-38.317500000113A247 E248 R249 R255A247-G251 PolarHBondContact O-N 2.86Å; E248-G251 PolarHBondContact O-N 3.46Å; R249-G251 VanDerWaalsContact C-N 3.35Å; R249-G251 PolarHBondContact O-N 3.48Å; G251-R255 VanDerWaalsContact O-CB 3.27Å; G251-R255 WeakPolarHBondContact O-CB 3.32Å; G251-R255 PolarHBondContact O-N 2.87Å
252R95.9Very high96.1Very high155 Ų15593.5 Ų93.559%0.58549%0.492SS*.Hα-helixtrans-68.2-41.3174.6-78.4-176.8-108.5-179.6-8.3112.3E248 R249 Q250 G256E248-R252 WeakPolarHBondContact O-CB 3.37Å; E248-R252 VanDerWaalsContact O-CG 3.32Å; E248-R252 WeakPolarHBondContact O-CG 3.3Å; E248-R252 PolarHBondContact O-N 2.85Å; E248-R252 IonicContact OE2-CZ 2.86Å; E248-R252 IonicContact OE2-NH2 3.23Å; E248-R252 PolarHBondContact OE2-NH2 3.23Å; R249-R252 PolarHBondContact O-N 3.34Å; Q250-R252 VanDerWaalsContact C-N 3.35Å; Q250-R252 PolarHBondContact O-N 2.9Å; R252-G256 PolarHBondContact O-N 2.82Å
253I96.6Very high95.6Very high65 Ų6590.1 Ų90.133%0.33349%0.491SS..Hα-helixtrans-63-52.1175.8-68.9166.7000109.8R249 Q250 R255 G256 E257R249-I253 HydrophobicContact CG-CD1 3.95Å; R249-I253 VanDerWaalsContact O-CG1 3.3Å; R249-I253 WeakPolarHBondContact O-CG1 3.27Å; R249-I253 PolarHBondContact O-N 2.86Å; Q250-I253 PolarHBondContact O-N 3.48Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 3.04Å; I253-G256 CarbonylContact O-C 3.49Å; I253-G256 WeakPolarHBondContact O-CA 3.31Å; I253-G256 PolarHBondContact O-N 2.92Å; I253-E257 HydrophobicContact CG2-CG 4.38Å; I253-E257 WeakPolarHBondContact O-CG 3.46Å; I253-E257 PolarHBondContact O-N 3.33Å
254M96.1Very high95.3Very high121 Ų12192.6 Ų92.660%0.59650%0.495SS*.Hα-helixtrans-60.3-39.5180-173.9-179.7-67.900112.2Q250 E257 G258Q250-M254 VanDerWaalsContact O-CB 3.31Å; Q250-M254 WeakPolarHBondContact O-CB 3.45Å; Q250-M254 PolarHBondContact O-N 3.23Å; M254-E257 PolarHBondContact O-N 2.95Å; M254-G258 PolarHBondContact O-N 3.5Å
255R95.3Very high94.8Very high164 Ų16493.3 Ų93.362%0.61950%0.499SS*.Hα-helixtrans-64.9-44.2173.1-171.2178.9-62.5133.42.9111.4G251 I253 E257 G258 D259G251-R255 VanDerWaalsContact O-CB 3.27Å; G251-R255 WeakPolarHBondContact O-CB 3.32Å; G251-R255 PolarHBondContact O-N 2.87Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 3.04Å; R255-E257 VanDerWaalsContact C-N 3.34Å; R255-E257 PolarHBondContact O-N 2.9Å; R255-G258 PolarHBondContact O-N 3.3Å; R255-D259 WeakPolarHBondContact O-CB 3.3Å; R255-D259 PolarHBondContact O-N 3.46Å
256G97.2Very high94Very high41 Ų4195.2 Ų95.242%0.42350%0.497SS..Hα-helixtrans-61.9-39.4176.600000113.3R252 I253 A260R252-G256 PolarHBondContact O-N 2.82Å; I253-G256 CarbonylContact O-C 3.49Å; I253-G256 WeakPolarHBondContact O-CA 3.31Å; I253-G256 PolarHBondContact O-N 2.92Å; G256-A260 VanDerWaalsContact O-CB 3.3Å; G256-A260 WeakPolarHBondContact O-CB 3.37Å; G256-A260 PolarHBondContact O-N 2.82Å
257E96.5Very high93.3Very high125 Ų12593 Ų9358%0.58450%0.495SS*.Hα-helixtrans-65.6-45.6174-72.3173.9172.100111.4I253 M254 R255 A260 E261I253-E257 HydrophobicContact CG2-CG 4.38Å; I253-E257 WeakPolarHBondContact O-CG 3.46Å; I253-E257 PolarHBondContact O-N 3.33Å; M254-E257 PolarHBondContact O-N 2.95Å; R255-E257 VanDerWaalsContact C-N 3.34Å; R255-E257 PolarHBondContact O-N 2.9Å; E257-A260 PolarHBondContact O-N 2.84Å; E257-E261 WeakPolarHBondContact O-CB 3.26Å; E257-E261 PolarHBondContact O-N 3.39Å
258G97Very high92.6Very high34 Ų3494.5 Ų94.535%0.35150%0.495SS..Hα-helixtrans-63.5-41.1176.300000113M254 R255 A260 E261 A262M254-G258 PolarHBondContact O-N 3.5Å; R255-G258 PolarHBondContact O-N 3.3Å; G258-A260 VanDerWaalsContact C-N 3.35Å; G258-E261 PolarHBondContact O-N 2.86Å; G258-A262 VanDerWaalsContact O-CB 3.26Å; G258-A262 WeakPolarHBondContact O-CB 3.42Å; G258-A262 PolarHBondContact O-N 3.28Å
259D95.6Very high91.9Very high102 Ų10291.4 Ų91.455%0.54549%0.488SS..Hα-helixtrans-64.8-40.5175.2-71.3-24.6000111R255 A263R255-D259 WeakPolarHBondContact O-CB 3.3Å; R255-D259 PolarHBondContact O-N 3.46Å; D259-A263 VanDerWaalsContact O-CB 3.23Å; D259-A263 WeakPolarHBondContact O-CB 3.37Å; D259-A263 PolarHBondContact O-N 3.35Å
260A95.5Very high90.6Very high60 Ų6087 Ų8750%0.49647%0.473SS..Hα-helixtrans-66-42175.700000112.2G256 E257 G258 A263 K264G256-A260 VanDerWaalsContact O-CB 3.3Å; G256-A260 WeakPolarHBondContact O-CB 3.37Å; G256-A260 PolarHBondContact O-N 2.82Å; E257-A260 PolarHBondContact O-N 2.84Å; G258-A260 VanDerWaalsContact C-N 3.35Å; A260-A263 PolarHBondContact O-N 3.07Å; A260-K264 WeakPolarHBondContact O-CB 3.34Å; A260-K264 PolarHBondContact O-N 3.35Å
261E94.6Very high89.5Confident147 Ų14786.9 Ų86.969%0.68748%0.483SS*.Hα-helixtrans-66.8-42.5176.5-173170.8-162.300111.6E257 G258 K264 L265E257-E261 WeakPolarHBondContact O-CB 3.26Å; E257-E261 PolarHBondContact O-N 3.39Å; G258-E261 PolarHBondContact O-N 2.86Å; E261-K264 PolarHBondContact O-N 2.96Å; E261-L265 WeakPolarHBondContact O-CB 3.07Å; E261-L265 PolarHBondContact O-N 3.41Å
262A88.4Confident88.7Confident39 Ų3994.1 Ų94.132%0.32251%0.506SS..Hα-helixtrans-62.3-45.217400000111.3G258 K264 L265 F266G258-A262 VanDerWaalsContact O-CB 3.26Å; G258-A262 WeakPolarHBondContact O-CB 3.42Å; G258-A262 PolarHBondContact O-N 3.28Å; A262-K264 VanDerWaalsContact C-N 3.31Å; A262-K264 PolarHBondContact O-N 2.95Å; A262-L265 PolarHBondContact O-N 2.97Å; A262-F266 HydrophobicContact CB-CE2 4.42Å; A262-F266 WeakPolarHBondContact O-CB 3.2Å; A262-F266 WeakPolarHBondContact O-CD2 3.26Å; A262-F266 WeakPolarHBondContact O-CG 3.14Å; A262-F266 PolarHBondContact O-N 2.86Å
263A87.2Confident88Confident58 Ų5890.5 Ų90.548%0.47950%0.498SS..Hα-helixtrans-60.9-40.7175.900000111.8D259 A260 A267D259-A263 VanDerWaalsContact O-CB 3.23Å; D259-A263 WeakPolarHBondContact O-CB 3.37Å; D259-A263 PolarHBondContact O-N 3.35Å; A260-A263 PolarHBondContact O-N 3.07Å; A263-A267 WeakPolarHBondContact O-CB 3.25Å; A263-A267 PolarHBondContact O-N 2.83Å
264K89.1Confident87Confident138 Ų13891.6 Ų91.660%0.651%0.509SS*.Hα-helixtrans-65-46.9175.1-173.5-178176.6-174.10111.8A260 E261 A262 F266 A267 D268A260-K264 WeakPolarHBondContact O-CB 3.34Å; A260-K264 PolarHBondContact O-N 3.35Å; E261-K264 PolarHBondContact O-N 2.96Å; A262-K264 VanDerWaalsContact C-N 3.31Å; A262-K264 PolarHBondContact O-N 2.95Å; K264-F266 VanDerWaalsContact C-N 3.33Å; K264-F266 PolarHBondContact O-N 3.45Å; K264-A267 PolarHBondContact O-N 3.28Å; K264-D268 WeakPolarHBondContact O-CB 3.23Å; K264-D268 VanDerWaalsContact O-CG 3.28Å; K264-D268 PolarHBondContact O-N 3.5Å
265L87Confident86.1Confident120 Ų12091.8 Ų91.863%0.62851%0.513SS*.Hα-helixtrans-60.8-42.9177.2179.665.1000111.5E261 A262 D268 A269E261-L265 WeakPolarHBondContact O-CB 3.07Å; E261-L265 PolarHBondContact O-N 3.41Å; A262-L265 PolarHBondContact O-N 2.97Å; L265-D268 PolarHBondContact O-N 3.35Å; L265-A269 WeakPolarHBondContact O-CB 3.44Å; L265-A269 PolarHBondContact O-N 3.39Å
266F79.5Confident85.3Confident95 Ų9589.2 Ų89.242%0.41751%0.506SS..Hα-helixtrans-62.1-48.2173.5-76.4-50.2000110.8A262 K264 D268 A269 F270A262-F266 HydrophobicContact CB-CE2 4.42Å; A262-F266 WeakPolarHBondContact O-CB 3.2Å; A262-F266 WeakPolarHBondContact O-CD2 3.26Å; A262-F266 WeakPolarHBondContact O-CG 3.14Å; A262-F266 PolarHBondContact O-N 2.86Å; K264-F266 VanDerWaalsContact C-N 3.33Å; K264-F266 PolarHBondContact O-N 3.45Å; F266-D268 VanDerWaalsContact C-N 3.34Å; F266-D268 PolarHBondContact O-N 2.98Å; F266-A269 PolarHBondContact O-N 3.38Å; F266-F270 HydrophobicContact CB-CD2 3.8Å; F266-F270 HydrophobicContact CB-CE2 3.62Å; F266-F270 HydrophobicContact CD1-CD2 4.19Å; F266-F270 AromaticContact CD1-CE2 3.22Å; F266-F270 HydrophobicContact CD1-CE2 3.22Å; F266-F270 AromaticContact CD1-CZ 3.64Å; F266-F270 HydrophobicContact CD1-CZ 3.64Å; F266-F270 HydrophobicContact CE1-CE2 4.13Å; F266-F270 HydrophobicContact CE1-CZ 4.2Å; F266-F270 HydrophobicContact CG-CD2 4.42Å; F266-F270 AromaticContact CG-CE2 3.74Å; F266-F270 HydrophobicContact CG-CE2 3.74Å; F266-F270 WeakPolarHBondContact O-CB 3.2Å; F266-F270 WeakPolarHBondContact O-CD2 3.4Å; F266-F270 WeakPolarHBondContact O-CG 3.41Å; F266-F270 PolarHBondContact O-N 3.23Å
267A82.2Confident84.2Confident50 Ų5091.1 Ų91.141%0.41350%0.501SS..Hα-helixtrans-58-45176.900000112A263 K264 S271A263-A267 WeakPolarHBondContact O-CB 3.25Å; A263-A267 PolarHBondContact O-N 2.83Å; K264-A267 PolarHBondContact O-N 3.28Å; A267-S271 VanDerWaalsContact O-CB 3.22Å; A267-S271 WeakPolarHBondContact O-CB 3.04Å; A267-S271 PolarHBondContact O-N 3Å; A267-S271 PolarHBondContact O-OG 3.33Å
268D84.2Confident83.2Confident92 Ų9286.8 Ų86.849%0.49249%0.487SS..Hα-helixtrans-69.3-40.6-179.4-70.6-17.6000112.4K264 L265 F266K264-D268 WeakPolarHBondContact O-CB 3.23Å; K264-D268 VanDerWaalsContact O-CG 3.28Å; K264-D268 PolarHBondContact O-N 3.5Å; L265-D268 PolarHBondContact O-N 3.35Å; F266-D268 VanDerWaalsContact C-N 3.34Å; F266-D268 PolarHBondContact O-N 2.98Å
269A80.2Confident82.4Confident47 Ų4789 Ų8939%0.38849%0.487SS..Hα-helixtrans-69.4-40.1177.200000111.9L265 F266 K272L265-A269 WeakPolarHBondContact O-CB 3.44Å; L265-A269 PolarHBondContact O-N 3.39Å; F266-A269 PolarHBondContact O-N 3.38Å; A269-K272 WeakPolarHBondContact O-CB 3.4Å
270F70.3Confident81.7Confident46 Ų4686.2 Ų86.220%0.20247%0.471CS..Hα-helixtrans-86.1-22.3-175.8-62.5-47.1000114F266 K272 D273 Y277F266-F270 HydrophobicContact CB-CD2 3.8Å; F266-F270 HydrophobicContact CB-CE2 3.62Å; F266-F270 HydrophobicContact CD1-CD2 4.19Å; F266-F270 AromaticContact CD1-CE2 3.22Å; F266-F270 HydrophobicContact CD1-CE2 3.22Å; F266-F270 AromaticContact CD1-CZ 3.64Å; F266-F270 HydrophobicContact CD1-CZ 3.64Å; F266-F270 HydrophobicContact CE1-CE2 4.13Å; F266-F270 HydrophobicContact CE1-CZ 4.2Å; F266-F270 HydrophobicContact CG-CD2 4.42Å; F266-F270 AromaticContact CG-CE2 3.74Å; F266-F270 HydrophobicContact CG-CE2 3.74Å; F266-F270 WeakPolarHBondContact O-CB 3.2Å; F266-F270 WeakPolarHBondContact O-CD2 3.4Å; F266-F270 WeakPolarHBondContact O-CG 3.41Å; F266-F270 PolarHBondContact O-N 3.23Å; F270-K272 PolarHBondContact O-N 2.88Å; F270-K272 VanDerWaalsContact O-N 3.08Å; F270-D273 CarbonylContact O-C 3.24Å; F270-D273 VanDerWaalsContact O-C 3.24Å; F270-D273 PolarHBondContact O-N 2.95Å; F270-Y277 HydrophobicContact CB-CD2 3.98Å; F270-Y277 HydrophobicContact CB-CG 4.18Å; F270-Y277 AromaticContact CD1-CD2 3.91Å; F270-Y277 HydrophobicContact CD1-CD2 3.91Å; F270-Y277 HydrophobicContact CD1-CG 4.49Å; F270-Y277 AromaticContact CD2-CD2 3.47Å; F270-Y277 HydrophobicContact CD2-CD2 3.47Å; F270-Y277 VanDerWaalsContact CD2-CD2 3.47Å; F270-Y277 AromaticContact CD2-CE2 3.78Å; F270-Y277 HydrophobicContact CD2-CE2 3.78Å; F270-Y277 HydrophobicContact CD2-CG 4.46Å; F270-Y277 HydrophobicContact CE1-CD2 4.27Å; F270-Y277 AromaticContact CE2-CD2 3.85Å; F270-Y277 HydrophobicContact CE2-CD2 3.85Å; F270-Y277 HydrophobicContact CE2-CE2 4.02Å; F270-Y277 AromaticContact CG-CD2 3.52Å; F270-Y277 HydrophobicContact CG-CD2 3.52Å; F270-Y277 HydrophobicContact CG-CE2 4.29Å; F270-Y277 HydrophobicContact CG-CG 4.16Å; F270-Y277 HydrophobicContact CZ-CD2 4.26Å
271S74Confident80.9Confident95 Ų9590.7 Ų90.766%0.66448%0.476SS*.THydrogen-bonded Turntrans-62.3-13.3169.3-63.20000112.7A267A267-S271 VanDerWaalsContact O-CB 3.22Å; A267-S271 WeakPolarHBondContact O-CB 3.04Å; A267-S271 PolarHBondContact O-N 3Å; A267-S271 PolarHBondContact O-OG 3.33Å
272K79.3Confident80.1Confident182 Ų18284.4 Ų84.479%0.79145%0.447SS*.THydrogen-bonded Turntrans-74.2-31.9172.8-61.4179-178.7177.30113A269 F270A269-K272 WeakPolarHBondContact O-CB 3.4Å; F270-K272 PolarHBondContact O-N 2.88Å; F270-K272 VanDerWaalsContact O-N 3.08Å
273D81.9Confident79.7Confident79 Ų7986 Ų8642%0.42245%0.45SS..  trans-151.193178.9-168.6-25.4000111.1F270 D275 F276 Y277F270-D273 CarbonylContact O-C 3.24Å; F270-D273 VanDerWaalsContact O-C 3.24Å; F270-D273 PolarHBondContact O-N 2.95Å; D273-D275 VanDerWaalsContact C-N 3.34Å; D273-D275 PolarHBondContact O-N 2.93Å; D273-D275 PolarHBondContact OD1-N 3.44Å; D273-F276 HydrophobicContact CB-CB 3.89Å; D273-F276 WeakPolarHBondContact OD1-CB 3.42Å; D273-F276 PolarHBondContact OD1-N 3.46Å; D273-F276 WeakPolarHBondContact OD2-CB 3.32Å; D273-Y277 PolarHBondContact O-N 2.93Å
274P76Confident79.4Confident88 Ų8889.6 Ų89.657%0.57145%0.451SS*.Hα-helixtrans-64.6-33.3-179.1-23.534.5000114.3Y277 A278P274-Y277 PolarHBondContact O-N 3.32Å; P274-A278 PolarHBondContact O-N 3.46Å
275D77.5Confident78.8Confident126 Ų12684.5 Ų84.567%0.67444%0.435SS*.Hα-helixtrans-73.7-41.9-177.4-72.9-27.8000110.4D273 Y277 A278 F279D273-D275 VanDerWaalsContact C-N 3.34Å; D273-D275 PolarHBondContact O-N 2.93Å; D273-D275 PolarHBondContact OD1-N 3.44Å; D275-Y277 VanDerWaalsContact C-N 3.28Å; D275-Y277 PolarHBondContact O-N 2.91Å; D275-A278 PolarHBondContact O-N 3.18Å; D275-F279 PolarHBondContact O-N 2.86Å
276F79.1Confident78.4Confident110 Ų11079.8 Ų79.848%0.48241%0.409SS..Hα-helixtrans-61.1-36.1173.2-177.2-108.9000112.2D273 F279 I280D273-F276 HydrophobicContact CB-CB 3.89Å; D273-F276 WeakPolarHBondContact OD1-CB 3.42Å; D273-F276 PolarHBondContact OD1-N 3.46Å; D273-F276 WeakPolarHBondContact OD2-CB 3.32Å; F276-F279 PolarHBondContact O-N 3.22Å; F276-I280 HydrophobicContact CD1-CG1 4.15Å; F276-I280 HydrophobicContact CD2-CG1 4.31Å; F276-I280 HydrophobicContact CE1-CD1 4.35Å; F276-I280 HydrophobicContact CE1-CG1 3.7Å; F276-I280 HydrophobicContact CE2-CD1 4.07Å; F276-I280 HydrophobicContact CE2-CG1 3.87Å; F276-I280 HydrophobicContact CG-CG1 4.44Å; F276-I280 HydrophobicContact CZ-CD1 3.75Å; F276-I280 HydrophobicContact CZ-CG1 3.55Å; F276-I280 WeakPolarHBondContact O-CG1 3.27Å; F276-I280 PolarHBondContact O-N 2.81Å
277Y73.1Confident78.3Confident81 Ų8181.7 Ų81.732%0.31842%0.419SS..Hα-helixtrans-62.8-50.7175.6166.6-103.1000112.9F270 D273 P274 D275 F279 I280 R281F270-Y277 HydrophobicContact CB-CD2 3.98Å; F270-Y277 HydrophobicContact CB-CG 4.18Å; F270-Y277 AromaticContact CD1-CD2 3.91Å; F270-Y277 HydrophobicContact CD1-CD2 3.91Å; F270-Y277 HydrophobicContact CD1-CG 4.49Å; F270-Y277 AromaticContact CD2-CD2 3.47Å; F270-Y277 HydrophobicContact CD2-CD2 3.47Å; F270-Y277 VanDerWaalsContact CD2-CD2 3.47Å; F270-Y277 AromaticContact CD2-CE2 3.78Å; F270-Y277 HydrophobicContact CD2-CE2 3.78Å; F270-Y277 HydrophobicContact CD2-CG 4.46Å; F270-Y277 HydrophobicContact CE1-CD2 4.27Å; F270-Y277 AromaticContact CE2-CD2 3.85Å; F270-Y277 HydrophobicContact CE2-CD2 3.85Å; F270-Y277 HydrophobicContact CE2-CE2 4.02Å; F270-Y277 AromaticContact CG-CD2 3.52Å; F270-Y277 HydrophobicContact CG-CD2 3.52Å; F270-Y277 HydrophobicContact CG-CE2 4.29Å; F270-Y277 HydrophobicContact CG-CG 4.16Å; F270-Y277 HydrophobicContact CZ-CD2 4.26Å; D273-Y277 PolarHBondContact O-N 2.93Å; P274-Y277 PolarHBondContact O-N 3.32Å; D275-Y277 VanDerWaalsContact C-N 3.28Å; D275-Y277 PolarHBondContact O-N 2.91Å; Y277-F279 PolarHBondContact O-N 2.87Å; Y277-I280 PolarHBondContact O-N 3.44Å; Y277-R281 HydrophobicContact CE2-CB 4.44Å; Y277-R281 VanDerWaalsContact O-CB 3.28Å; Y277-R281 WeakPolarHBondContact O-CB 3.2Å; Y277-R281 PolarHBondContact O-N 2.91Å; Y277-R281 WeakPolarHBondContact OH-CD 3.47Å; Y277-R281 PolarHBondContact OH-NH1 2.91Å
278A75Confident78.2Confident33 Ų3384.5 Ų84.527%0.27343%0.428SS..Hα-helixtrans-62.4-34.1-178.300000111.1P274 D275 S282 Y308P274-A278 PolarHBondContact O-N 3.46Å; D275-A278 PolarHBondContact O-N 3.18Å; A278-S282 WeakPolarHBondContact O-CB 3.42Å; A278-S282 PolarHBondContact O-N 3.32Å; A278-S282 VanDerWaalsContact O-N 3.1Å; A278-S282 PolarHBondContact O-OG 2.95Å; A278-Y308 VanDerWaalsContact C-CE2 3.45Å; A278-Y308 HydrophobicContact CB-CE2 3.85Å; A278-Y308 WeakPolarHBondContact CB-OH 3.37Å; A278-Y308 WeakPolarHBondContact O-CE2 3.03Å
279F80.6Confident77.7Confident81 Ų8181.8 Ų81.836%0.35542%0.416SS..Hα-helixtrans-64.2-56.8170179.8-112.8000112.9D275 F276 Y277 R281 S282 L283 Y308D275-F279 PolarHBondContact O-N 2.86Å; F276-F279 PolarHBondContact O-N 3.22Å; Y277-F279 PolarHBondContact O-N 2.87Å; F279-R281 VanDerWaalsContact C-N 3.3Å; F279-R281 PolarHBondContact O-N 3.43Å; F279-S282 PolarHBondContact O-N 2.86Å; F279-S282 VanDerWaalsContact O-N 3.08Å; F279-S282 PolarHBondContact O-OG 3.32Å; F279-L283 HydrophobicContact CD1-CD1 4.06Å; F279-L283 HydrophobicContact CE1-CD1 3.45Å; F279-L283 VanDerWaalsContact CE1-CD1 3.45Å; F279-L283 HydrophobicContact CE1-CG 4.22Å; F279-L283 HydrophobicContact CE2-CD1 4.21Å; F279-L283 HydrophobicContact CE2-CD2 4.25Å; F279-L283 HydrophobicContact CE2-CG 4.18Å; F279-L283 HydrophobicContact CZ-CD1 3.55Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 HydrophobicContact CZ-CG 4.01Å; F279-L283 PolarHBondContact O-N 2.92Å; F279-Y308 HydrophobicContact CB-CD1 4.24Å; F279-Y308 HydrophobicContact CB-CE1 4.23Å; F279-Y308 AromaticContact CD2-CD1 3.89Å; F279-Y308 HydrophobicContact CD2-CD1 3.89Å; F279-Y308 AromaticContact CD2-CG 3.94Å; F279-Y308 HydrophobicContact CD2-CG 3.94Å
280I80.7Confident77.3Confident43 Ų4385.1 Ų85.122%0.22142%0.422CS..Hα-helixtrans-60.5-38.4-179.6-70.9-69.7000112.1F276 Y277 S282 L283 R284F276-I280 HydrophobicContact CD1-CG1 4.15Å; F276-I280 HydrophobicContact CD2-CG1 4.31Å; F276-I280 HydrophobicContact CE1-CD1 4.35Å; F276-I280 HydrophobicContact CE1-CG1 3.7Å; F276-I280 HydrophobicContact CE2-CD1 4.07Å; F276-I280 HydrophobicContact CE2-CG1 3.87Å; F276-I280 HydrophobicContact CG-CG1 4.44Å; F276-I280 HydrophobicContact CZ-CD1 3.75Å; F276-I280 HydrophobicContact CZ-CG1 3.55Å; F276-I280 WeakPolarHBondContact O-CG1 3.27Å; F276-I280 PolarHBondContact O-N 2.81Å; Y277-I280 PolarHBondContact O-N 3.44Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-L283 HydrophobicContact CD1-CD1 4.42Å; I280-L283 PolarHBondContact O-N 3.25Å; I280-R284 PolarHBondContact O-N 3.32Å
281R78.1Confident77.2Confident155 Ų15587.4 Ų87.459%0.58544%0.443SS*.Hα-helixtrans-63.3-41.6175.5-175.3178-175.7178.7-5.4111.3Y277 F279 A285Y277-R281 HydrophobicContact CE2-CB 4.44Å; Y277-R281 VanDerWaalsContact O-CB 3.28Å; Y277-R281 WeakPolarHBondContact O-CB 3.2Å; Y277-R281 PolarHBondContact O-N 2.91Å; Y277-R281 WeakPolarHBondContact OH-CD 3.47Å; Y277-R281 PolarHBondContact OH-NH1 2.91Å; F279-R281 VanDerWaalsContact C-N 3.3Å; F279-R281 PolarHBondContact O-N 3.43Å; R281-A285 VanDerWaalsContact O-CB 3.26Å; R281-A285 WeakPolarHBondContact O-CB 3.44Å; R281-A285 PolarHBondContact O-N 3.08Å
282S78.4Confident76.9Confident14 Ų1484.2 Ų84.210%0.09843%0.426CS..Hα-helixtrans-64-43.3174.7740000111.6A278 F279 I280 A285 Y286 Y308A278-S282 WeakPolarHBondContact O-CB 3.42Å; A278-S282 PolarHBondContact O-N 3.32Å; A278-S282 VanDerWaalsContact O-N 3.1Å; A278-S282 PolarHBondContact O-OG 2.95Å; F279-S282 PolarHBondContact O-N 2.86Å; F279-S282 VanDerWaalsContact O-N 3.08Å; F279-S282 PolarHBondContact O-OG 3.32Å; I280-S282 VanDerWaalsContact C-N 3.34Å; S282-A285 PolarHBondContact O-N 3.1Å; S282-Y286 WeakPolarHBondContact O-CD2 3.19Å; S282-Y286 PolarHBondContact O-N 2.88Å; S282-Y308 WeakPolarHBondContact OG-CD2 3.49Å
283L80.8Confident76.1Confident73 Ų7384 Ų8438%0.38243%0.433SS..Hα-helixtrans-60.7-47.3176.4-70.3-176.6000112.7F279 I280 A285 Y286 E287F279-L283 HydrophobicContact CD1-CD1 4.06Å; F279-L283 HydrophobicContact CE1-CD1 3.45Å; F279-L283 VanDerWaalsContact CE1-CD1 3.45Å; F279-L283 HydrophobicContact CE1-CG 4.22Å; F279-L283 HydrophobicContact CE2-CD1 4.21Å; F279-L283 HydrophobicContact CE2-CD2 4.25Å; F279-L283 HydrophobicContact CE2-CG 4.18Å; F279-L283 HydrophobicContact CZ-CD1 3.55Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 HydrophobicContact CZ-CG 4.01Å; F279-L283 PolarHBondContact O-N 2.92Å; I280-L283 HydrophobicContact CD1-CD1 4.42Å; I280-L283 PolarHBondContact O-N 3.25Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-A285 PolarHBondContact O-N 2.82Å; L283-Y286 HydrophobicContact CD2-CD2 4.26Å; L283-Y286 WeakPolarHBondContact O-CB 2.87Å; L283-Y286 PolarHBondContact O-N 3.41Å; L283-E287 PolarHBondContact O-N 2.64Å
284R80.2Confident75.2Confident133 Ų13388.8 Ų88.850%0.50245%0.453SS..Hα-helixtrans-63.3-38175.6-79.4-174.1177.1176-0.1112.2I280 Y286 E287 N288I280-R284 PolarHBondContact O-N 3.32Å; R284-Y286 VanDerWaalsContact C-N 3.32Å; R284-E287 PolarHBondContact O-N 2.87Å; R284-N288 WeakPolarHBondContact O-CB 2.88Å; R284-N288 VanDerWaalsContact O-CG 3.28Å; R284-N288 PolarHBondContact O-N 2.54Å; R284-N288 PolarHBondContact O-ND2 2.66Å
285A77.4Confident74.5Confident31 Ų3188.9 Ų88.926%0.25645%0.449SS..Hα-helixtrans-65.4-38.8176.300000111R281 S282 L283 S289 F305R281-A285 VanDerWaalsContact O-CB 3.26Å; R281-A285 WeakPolarHBondContact O-CB 3.44Å; R281-A285 PolarHBondContact O-N 3.08Å; S282-A285 PolarHBondContact O-N 3.1Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-A285 PolarHBondContact O-N 2.82Å; A285-S289 WeakPolarHBondContact O-CB 3.28Å; A285-S289 PolarHBondContact O-N 3.47Å; A285-S289 PolarHBondContact O-OG 3.3Å; A285-F305 HydrophobicContact CB-CE2 3.77Å; A285-F305 HydrophobicContact CB-CZ 4.18Å
286Y78.9Confident73.9Confident21 Ų2189.1 Ų89.18%0.08245%0.454CS..Hα-helixtrans-63.1-51.1172.1-56.7-34.2000111.4S282 L283 R284 N288 S289 F290 F305 F306 M309S282-Y286 WeakPolarHBondContact O-CD2 3.19Å; S282-Y286 PolarHBondContact O-N 2.88Å; L283-Y286 HydrophobicContact CD2-CD2 4.26Å; L283-Y286 WeakPolarHBondContact O-CB 2.87Å; L283-Y286 PolarHBondContact O-N 3.41Å; R284-Y286 VanDerWaalsContact C-N 3.32Å; Y286-N288 VanDerWaalsContact C-N 3.35Å; Y286-N288 PolarHBondContact O-N 3.02Å; Y286-S289 PolarHBondContact O-N 3.01Å; Y286-F290 WeakPolarHBondContact O-CB 3.4Å; Y286-F290 WeakPolarHBondContact O-CD2 3.22Å; Y286-F290 PolarHBondContact O-N 3.16Å; Y286-F305 HydrophobicContact CD1-CD1 4.16Å; Y286-F305 AromaticContact CD1-CE1 3.37Å; Y286-F305 HydrophobicContact CD1-CE1 3.37Å; Y286-F305 HydrophobicContact CD1-CE2 4.38Å; Y286-F305 AromaticContact CD1-CZ 3.51Å; Y286-F305 HydrophobicContact CD1-CZ 3.51Å; Y286-F305 AromaticContact CE1-CD1 3.65Å; Y286-F305 HydrophobicContact CE1-CD1 3.65Å; Y286-F305 AromaticContact CE1-CE1 3.36Å; Y286-F305 HydrophobicContact CE1-CE1 3.36Å; Y286-F305 HydrophobicContact CE1-CE2 4.33Å; Y286-F305 HydrophobicContact CE1-CG 4.25Å; Y286-F305 AromaticContact CE1-CZ 3.74Å; Y286-F305 HydrophobicContact CE1-CZ 3.74Å; Y286-F305 VanDerWaalsContact CE1-O 3.27Å; Y286-F305 WeakPolarHBondContact CE1-O 3.2Å; Y286-F305 VanDerWaalsContact CZ-O 3.28Å; Y286-F305 PolarHBondContact OH-O 3.4Å; Y286-F306 HydrophobicContact CE1-CD1 4.17Å; Y286-F306 HydrophobicContact CE1-CE1 4.48Å; Y286-F306 WeakPolarHBondContact OH-CA 3.4Å; Y286-M309 HydrophobicContact CD2-SD 4.4Å; Y286-M309 HydrophobicContact CE1-SD 4.45Å; Y286-M309 HydrophobicContact CE2-CG 4.12Å; Y286-M309 HydrophobicContact CE2-SD 4.06Å
287E77.2Confident73.1Confident136 Ų13687.8 Ų87.864%0.63645%0.451SS*.Hα-helixtrans-56.4-47.9179.9-172.7-177.7-174.200111.7L283 R284 F290 S291L283-E287 PolarHBondContact O-N 2.64Å; R284-E287 PolarHBondContact O-N 2.87Å; E287-F290 PolarHBondContact O-N 3Å; E287-S291 WeakPolarHBondContact O-CB 3.5Å; E287-S291 PolarHBondContact O-N 3.18Å
288N79.9Confident72.8Confident109 Ų10990.3 Ų90.358%0.58347%0.474SS*.Hα-helixtrans-66.5-44.2179.9-72.3-24.3000112.4R284 Y286 F290 S291R284-N288 WeakPolarHBondContact O-CB 2.88Å; R284-N288 VanDerWaalsContact O-CG 3.28Å; R284-N288 PolarHBondContact O-N 2.54Å; R284-N288 PolarHBondContact O-ND2 2.66Å; Y286-N288 VanDerWaalsContact C-N 3.35Å; Y286-N288 PolarHBondContact O-N 3.02Å; N288-F290 PolarHBondContact O-N 3.46Å; N288-S291 PolarHBondContact O-N 3.13Å; N288-S291 PolarHBondContact O-OG 3.23Å
289S72.4Confident72.2Confident35 Ų3592 Ų9225%0.24548%0.477CS..Hα-helixtrans-69.5-18179.5-65.50000114A285 Y286 D295A285-S289 WeakPolarHBondContact O-CB 3.28Å; A285-S289 PolarHBondContact O-N 3.47Å; A285-S289 PolarHBondContact O-OG 3.3Å; Y286-S289 PolarHBondContact O-N 3.01Å; S289-D295 VanDerWaalsContact O-CB 3.25Å; S289-D295 WeakPolarHBondContact O-CB 3.44Å
290F72.1Confident71.4Confident117 Ų11791.8 Ų91.851%0.51349%0.486SS..Hα-helixtrans-112.61.3179.2-65.7-62000113.9Y286 E287 N288 G292Y286-F290 WeakPolarHBondContact O-CB 3.4Å; Y286-F290 WeakPolarHBondContact O-CD2 3.22Å; Y286-F290 PolarHBondContact O-N 3.16Å; E287-F290 PolarHBondContact O-N 3Å; N288-F290 PolarHBondContact O-N 3.46Å; F290-G292 PolarHBondContact O-N 2.78Å
291S68.8Low70.7Confident93 Ų9394.4 Ų94.465%0.6551%0.506SS*.SBendtrans-68.9-23.917766.30000113E287 N288E287-S291 WeakPolarHBondContact O-CB 3.5Å; E287-S291 PolarHBondContact O-N 3.18Å; N288-S291 PolarHBondContact O-N 3.13Å; N288-S291 PolarHBondContact O-OG 3.23Å
292G66.6Low70.1Confident29 Ų2993.4 Ų93.430%0.29951%0.512SS..SBendtrans-91.8126.817400000112.6F290 Q294 D295F290-G292 PolarHBondContact O-N 2.78Å; G292-Q294 PolarHBondContact O-N 3.18Å; G292-D295 PolarHBondContact O-N 3.24Å
293N63.5Low69.6Low176 Ų17694.3 Ų94.394%0.94152%0.518SS*.THydrogen-bonded Turntrans-62.2-0.1172.8-9416.3000114.6
294Q63.3Low68.9Low180 Ų18096.9 Ų96.984%0.84153%0.532SS*.THydrogen-bonded Turntrans-123.66.5-175.6-69.5-173.3-7.800114.1G292 V296G292-Q294 PolarHBondContact O-N 3.18Å; Q294-V296 PolarHBondContact O-N 3.38Å; Q294-V296 VanDerWaalsContact O-N 3.07Å
295D61.1Low68.3Low91 Ų9192.7 Ų92.749%0.48752%0.518SS..  trans-81.795.5-176.9-66.2-31.9000111S289 G292 M297S289-D295 VanDerWaalsContact O-CB 3.25Å; S289-D295 WeakPolarHBondContact O-CB 3.44Å; G292-D295 PolarHBondContact O-N 3.24Å; D295-M297 PolarHBondContact O-N 3.39Å
296V65.7Low67.8Low130 Ų13093.4 Ų93.479%0.78852%0.515SS*.  trans-82.199.8170.9175.60000108.6Q294 V298Q294-V296 PolarHBondContact O-N 3.38Å; Q294-V296 VanDerWaalsContact O-N 3.07Å; V296-V298 HydrophobicContact CG1-CG2 4.02Å
297M61.9Low67.3Low83 Ų83100.4 Ų100.441%0.40954%0.542SS..  trans-92.1104.7177-162.2158.7-161.600110.7D295 M299 F305D295-M297 PolarHBondContact O-N 3.39Å; M297-M299 HydrophobicContact CE-CG 4.4Å; M297-M299 HydrophobicContact CE-SD 3.14Å; M297-M299 WeakPolarHBondContact CE-SD 3.39Å; M297-M299 HydrophobicContact CG-CG 3.95Å; M297-M299 HydrophobicContact CG-SD 3.8Å; M297-M299 HydrophobicContact SD-SD 3.95Å; M297-F305 HydrophobicContact CE-CD1 4.47Å; M297-F305 HydrophobicContact CE-CE1 4.09Å; M297-F305 HydrophobicContact CE-CE2 4.26Å; M297-F305 HydrophobicContact CE-CZ 3.99Å; M297-F305 HydrophobicContact SD-CE1 4.05Å; M297-F305 HydrophobicContact SD-CZ 4.28Å
298V66.3Low66.8Low133 Ų13398.2 Ų98.281%0.80653%0.528SS*.  trans-92.599.5174.8-176.10000108.7V296V296-V298 HydrophobicContact CG1-CG2 4.02Å
299M63.1Low66.2Low68 Ų6898.6 Ų98.634%0.33553%0.528SS..  trans-132.6146.7177.3-72.1-176.154.200111.2M297 S303 F305M297-M299 HydrophobicContact CE-CG 4.4Å; M297-M299 HydrophobicContact CE-SD 3.14Å; M297-M299 WeakPolarHBondContact CE-SD 3.39Å; M297-M299 HydrophobicContact CG-CG 3.95Å; M297-M299 HydrophobicContact CG-SD 3.8Å; M297-M299 HydrophobicContact SD-SD 3.95Å; M299-S303 WeakPolarHBondContact CE-OG 3.5Å; M299-F305 HydrophobicContact CE-CB 3.44Å; M299-F305 VanDerWaalsContact CE-CB 3.44Å; M299-F305 HydrophobicContact CE-CD1 4.34Å; M299-F305 HydrophobicContact CE-CG 3.96Å; M299-F305 HydrophobicContact SD-CB 4.47Å; M299-F305 HydrophobicContact SD-CD1 4.39Å; M299-F305 HydrophobicContact SD-CG 4.39Å
300S63.8Low65.8Low77 Ų77101.5 Ų101.554%0.53854%0.536SS..  trans-62.5139.8175-174.30000110.4D302 S303S300-D302 PolarHBondContact O-N 2.97Å; S300-S303 WeakPolarHBondContact O-CB 3.48Å; S300-S303 PolarHBondContact O-N 3.43Å
301P65.4Low64.9Low99 Ų99101.4 Ų101.464%0.64355%0.545SS*.THydrogen-bonded Turntrans-54.3-24.3-179.9-25.433000114.5S303 K310P301-S303 VanDerWaalsContact C-N 3.34Å; P301-K310 WeakPolarHBondContact O-CE 3.42Å; P301-K310 PolarHBondContact O-NZ 3.23Å
302D66Low64.2Low133 Ų133102.6 Ų102.671%0.71155%0.55SS**THydrogen-bonded Turntrans-90.36.2-177.5-59.9-36.1000113.8S300 D304S300-D302 PolarHBondContact O-N 2.97Å; D302-D304 PolarHBondContact O-N 3.01Å
303S68.1Low63.5Low34 Ų34107.1 Ų107.124%0.23857%0.573CS.*  trans-62.6136.9-179.6-176.20000112.8M299 S300 P301 F305 F306M299-S303 WeakPolarHBondContact CE-OG 3.5Å; S300-S303 WeakPolarHBondContact O-CB 3.48Å; S300-S303 PolarHBondContact O-N 3.43Å; P301-S303 VanDerWaalsContact C-N 3.34Å; S303-F305 PolarHBondContact O-N 3.46Å; S303-F305 WeakPolarHBondContact OG-CB 3.4Å; S303-F305 PolarHBondContact OG-N 3.08Å; S303-F306 PolarHBondContact O-N 3.05Å; S303-F306 VanDerWaalsContact O-N 3.16Å
304D66.2Low62.7Low127 Ų127103.3 Ų103.368%0.67956%0.56SS**G310 helixtrans-53.3-19.9169.5-74.5-49.3000113.5D302 F306 R307D302-D304 PolarHBondContact O-N 3.01Å; D304-F306 PolarHBondContact O-N 3.02Å; D304-R307 VanDerWaalsContact O-CB 3.23Å; D304-R307 WeakPolarHBondContact O-CB 3.23Å; D304-R307 PolarHBondContact O-N 3.23Å; D304-R307 VanDerWaalsContact O-N 3.13Å
305F67.2Low61.8Low45 Ų4599.5 Ų99.520%0.19756%0.559CS.*G310 helixtrans-56.5-35.1176.8-171.7-106.2000112.5A285 Y286 M297 M299 S303A285-F305 HydrophobicContact CB-CE2 3.77Å; A285-F305 HydrophobicContact CB-CZ 4.18Å; Y286-F305 HydrophobicContact CD1-CD1 4.16Å; Y286-F305 AromaticContact CD1-CE1 3.37Å; Y286-F305 HydrophobicContact CD1-CE1 3.37Å; Y286-F305 HydrophobicContact CD1-CE2 4.38Å; Y286-F305 AromaticContact CD1-CZ 3.51Å; Y286-F305 HydrophobicContact CD1-CZ 3.51Å; Y286-F305 AromaticContact CE1-CD1 3.65Å; Y286-F305 HydrophobicContact CE1-CD1 3.65Å; Y286-F305 AromaticContact CE1-CE1 3.36Å; Y286-F305 HydrophobicContact CE1-CE1 3.36Å; Y286-F305 HydrophobicContact CE1-CE2 4.33Å; Y286-F305 HydrophobicContact CE1-CG 4.25Å; Y286-F305 AromaticContact CE1-CZ 3.74Å; Y286-F305 HydrophobicContact CE1-CZ 3.74Å; Y286-F305 VanDerWaalsContact CE1-O 3.27Å; Y286-F305 WeakPolarHBondContact CE1-O 3.2Å; Y286-F305 VanDerWaalsContact CZ-O 3.28Å; Y286-F305 PolarHBondContact OH-O 3.4Å; M297-F305 HydrophobicContact CE-CD1 4.47Å; M297-F305 HydrophobicContact CE-CE1 4.09Å; M297-F305 HydrophobicContact CE-CE2 4.26Å; M297-F305 HydrophobicContact CE-CZ 3.99Å; M297-F305 HydrophobicContact SD-CE1 4.05Å; M297-F305 HydrophobicContact SD-CZ 4.28Å; M299-F305 HydrophobicContact CE-CB 3.44Å; M299-F305 VanDerWaalsContact CE-CB 3.44Å; M299-F305 HydrophobicContact CE-CD1 4.34Å; M299-F305 HydrophobicContact CE-CG 3.96Å; M299-F305 HydrophobicContact SD-CB 4.47Å; M299-F305 HydrophobicContact SD-CD1 4.39Å; M299-F305 HydrophobicContact SD-CG 4.39Å; S303-F305 PolarHBondContact O-N 3.46Å; S303-F305 WeakPolarHBondContact OG-CB 3.4Å; S303-F305 PolarHBondContact OG-N 3.08Å
306F67.3Low61Low45 Ų45101.2 Ų101.220%0.19757%0.573CS.*G310 helixtrans-94.910.8-178.9-60.5-64000114.2Y286 S303 D304 Y308 M309 K310Y286-F306 HydrophobicContact CE1-CD1 4.17Å; Y286-F306 HydrophobicContact CE1-CE1 4.48Å; Y286-F306 WeakPolarHBondContact OH-CA 3.4Å; S303-F306 PolarHBondContact O-N 3.05Å; S303-F306 VanDerWaalsContact O-N 3.16Å; D304-F306 PolarHBondContact O-N 3.02Å; F306-Y308 VanDerWaalsContact C-N 3.29Å; F306-Y308 PolarHBondContact O-N 3.46Å; F306-M309 HydrophobicContact CB-CB 4.46Å; F306-M309 HydrophobicContact CD1-CE 3.34Å; F306-M309 HydrophobicContact CD1-SD 4Å; F306-M309 HydrophobicContact CE1-CE 3.8Å; F306-M309 HydrophobicContact CE1-SD 4.46Å; F306-M309 HydrophobicContact CG-CE 4.22Å; F306-M309 WeakPolarHBondContact O-CB 3.4Å; F306-M309 PolarHBondContact O-N 3.3Å; F306-K310 WeakPolarHBondContact O-CG 3.5Å; F306-K310 PolarHBondContact O-N 2.93Å
307R67.3Low59.7Low169 Ų169110 Ų11064%0.63859%0.592SS**THydrogen-bonded Turntrans-52.2-41.4-173.5-176.4-179.9-173.9131.5-3.3114.1D304D304-R307 VanDerWaalsContact O-CB 3.23Å; D304-R307 WeakPolarHBondContact O-CB 3.23Å; D304-R307 PolarHBondContact O-N 3.23Å; D304-R307 VanDerWaalsContact O-N 3.13Å
308Y67.4Low59.6Low89 Ų89111.4 Ų111.435%0.34960%0.601SS.*THydrogen-bonded Turntrans-86.9-15.2-179.7-67-75.9000114.1A278 F279 S282 F306A278-Y308 VanDerWaalsContact C-CE2 3.45Å; A278-Y308 HydrophobicContact CB-CE2 3.85Å; A278-Y308 WeakPolarHBondContact CB-OH 3.37Å; A278-Y308 WeakPolarHBondContact O-CE2 3.03Å; F279-Y308 HydrophobicContact CB-CD1 4.24Å; F279-Y308 HydrophobicContact CB-CE1 4.23Å; F279-Y308 AromaticContact CD2-CD1 3.89Å; F279-Y308 HydrophobicContact CD2-CD1 3.89Å; F279-Y308 AromaticContact CD2-CG 3.94Å; F279-Y308 HydrophobicContact CD2-CG 3.94Å; S282-Y308 WeakPolarHBondContact OG-CD2 3.49Å; F306-Y308 VanDerWaalsContact C-N 3.29Å; F306-Y308 PolarHBondContact O-N 3.46Å
309M66.7Low59.2Low117 Ų117110.2 Ų110.258%0.57659%0.59SS**THydrogen-bonded Turntrans-84-31.5173.8-116.9176.248.700111.7Y286 F306 T311Y286-M309 HydrophobicContact CD2-SD 4.4Å; Y286-M309 HydrophobicContact CE1-SD 4.45Å; Y286-M309 HydrophobicContact CE2-CG 4.12Å; Y286-M309 HydrophobicContact CE2-SD 4.06Å; F306-M309 HydrophobicContact CB-CB 4.46Å; F306-M309 HydrophobicContact CD1-CE 3.34Å; F306-M309 HydrophobicContact CD1-SD 4Å; F306-M309 HydrophobicContact CE1-CE 3.8Å; F306-M309 HydrophobicContact CE1-SD 4.46Å; F306-M309 HydrophobicContact CG-CE 4.22Å; F306-M309 WeakPolarHBondContact O-CB 3.4Å; F306-M309 PolarHBondContact O-N 3.3Å; M309-T311 PolarHBondContact O-N 3.2Å
310K63.8Low59Low97 Ų97112.6 Ų112.642%0.42260%0.604SS.*SBendtrans-65.6123170.3-68.8-178-177.5-177.90107.1P301 F306P301-K310 WeakPolarHBondContact O-CE 3.42Å; P301-K310 PolarHBondContact O-NZ 3.23Å; F306-K310 WeakPolarHBondContact O-CG 3.5Å; F306-K310 PolarHBondContact O-N 2.93Å
311T54.3Low58.7Low115 Ų115114.6 Ų114.671%0.70661%0.608SS**  trans-42.7137.7165.321.30000108.5M309 T313M309-T311 PolarHBondContact O-N 3.2Å; T311-T313 PolarHBondContact O-N 2.75Å
312P53.9Low58.3Low117 Ų117115.6 Ų115.676%0.7661%0.606SS**  trans-58.994.8171.724-30.8000106.3S314P312-S314 PolarHBondContact O-N 2.65Å
313T52.3Low57.8Low125 Ų125114.5 Ų114.577%0.76760%0.599SS**  trans-63.4100.1172.8-69.50000102.7T311 A315T311-T313 PolarHBondContact O-N 2.75Å; T313-A315 VanDerWaalsContact C-N 3.35Å; T313-A315 PolarHBondContact O-N 2.83Å
314S45.5Very low57.1Low95 Ų95120.2 Ų120.266%0.66463%0.625SS**  trans-48.8107.3177.3-48.20000104.8P312 T316P312-S314 PolarHBondContact O-N 2.65Å; S314-T316 PolarHBondContact O-N 2.7Å
315A45.6Very low56.4Low100 Ų100119.7 Ų119.783%0.82662%0.621SS**  trans-62.291161.400000103.6T313 R317T313-A315 VanDerWaalsContact C-N 3.35Å; T313-A315 PolarHBondContact O-N 2.83Å; A315-R317 PolarHBondContact O-N 3Å
316T43.5Very low55.5Low127 Ų127125.9 Ų125.978%0.77966%0.656SS**  trans-46.3109.5168.131.90000106.7S314S314-T316 PolarHBondContact O-N 2.7Å
317R37.9Very low54.4Low315 Ų315133.3 Ų133.3100%1.18970%0.698SS**  trans28.20143-173.3-175.3-99.9166.6-8.3116.7A315A315-R317 PolarHBondContact O-N 3Å

Retrieved 317 of 317 residues in 515.8 ms (Link to these results)

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