A0A077ZIZ0_TRITR Loading...

Protein MAK10 homolog

AlphaFold DB , UniProt , Accession A0A077ZIZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 699 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
1M86.4Confident88.5Confident39 Ų3910.7 Ų10.719%0.1926%0.058CC..  0-52.60-72.4-174.7173.300111.2V3 T4 T5 F41 Y117 R120 L121M1-V3 PolarHBondContact O-N 3.06Å; M1-T4 CarbonylContact O-C 3.55Å; M1-T4 WeakPolarHBondContact O-CA 3.46Å; M1-T4 VanDerWaalsContact O-CB 3.23Å; M1-T4 WeakPolarHBondContact O-CB 3.15Å; M1-T4 PolarHBondContact O-N 2.82Å; M1-T5 PolarHBondContact O-N 3.46Å; M1-T5 PolarHBondContact O-OG1 2.64Å; M1-F41 HydrophobicContact CB-CE1 4.35Å; M1-F41 HydrophobicContact CB-CZ 4.17Å; M1-F41 HydrophobicContact CE-CB 3.83Å; M1-F41 HydrophobicContact CE-CD1 4.13Å; M1-F41 HydrophobicContact CE-CD2 3.73Å; M1-F41 HydrophobicContact CE-CE2 4.33Å; M1-F41 HydrophobicContact CE-CG 3.61Å; M1-F41 HydrophobicContact CG-CD1 3.98Å; M1-F41 HydrophobicContact CG-CD2 4.34Å; M1-F41 HydrophobicContact CG-CE1 3.73Å; M1-F41 HydrophobicContact CG-CE2 4.1Å; M1-F41 HydrophobicContact CG-CG 4.28Å; M1-F41 HydrophobicContact CG-CZ 3.79Å; M1-F41 HydrophobicContact SD-CD2 4.4Å; M1-F41 HydrophobicContact SD-CE2 4.43Å; M1-Y117 HydrophobicContact CE-CD1 4.46Å; M1-Y117 HydrophobicContact CE-CD2 3.97Å; M1-Y117 HydrophobicContact CE-CE1 3.84Å; M1-Y117 HydrophobicContact CE-CE2 3.26Å; M1-Y117 VanDerWaalsContact CE-OH 3.27Å; M1-Y117 WeakPolarHBondContact CE-OH 3.27Å; M1-Y117 HydrophobicContact CG-CE2 4.47Å; M1-Y117 HydrophobicContact SD-CD2 3.72Å; M1-Y117 HydrophobicContact SD-CE2 3.59Å; M1-Y117 VanDerWaalsContact SD-CE2 3.59Å; M1-Y117 HydrophobicContact SD-CG 4.33Å; M1-R120 HydrophobicContact SD-CB 4.03Å; M1-L121 HydrophobicContact CE-CD1 4.03Å
2D86.9Confident88.4Confident48 Ų4810.5 Ų10.526%0.2576%0.057SC..Hα-helixtrans-59.8-45.2-179.5-62.1-49.6000113.7T4 T5 I6 R120 L214D2-T4 PolarHBondContact O-N 2.83Å; D2-T5 WeakPolarHBondContact O-CA 3.33Å; D2-T5 VanDerWaalsContact O-CB 3.26Å; D2-T5 WeakPolarHBondContact O-CB 3.31Å; D2-T5 PolarHBondContact O-N 2.8Å; D2-I6 WeakPolarHBondContact O-CG1 3.44Å; D2-I6 PolarHBondContact O-N 3.24Å; D2-R120 IonicContact OD1-CZ 3.92Å; D2-R120 VanDerWaalsContact OD1-CZ 3.27Å; D2-R120 IonicContact OD1-NE 3.71Å; D2-R120 PolarHBondContact OD1-NE 2.76Å; D2-R120 IonicContact OD1-NH2 3.57Å; D2-R120 PolarHBondContact OD1-NH2 3.18Å; D2-R120 IonicContact OD2-CZ 3.32Å; D2-R120 IonicContact OD2-NE 2.7Å; D2-R120 IonicContact OD2-NH2 2.71Å; D2-L214 HydrophobicContact CB-CD1 3.85Å; D2-L214 HydrophobicContact CB-CD2 3.97Å
3V88.3Confident87.8Confident9 Ų918.2 Ų18.26%0.0559%0.09CC..Hα-helixtrans-58.4-38.8173179.70000111.5M1 T5 I6 T7 L185 Y188 F190 I191M1-V3 PolarHBondContact O-N 3.06Å; V3-T5 VanDerWaalsContact C-N 3.35Å; V3-I6 PolarHBondContact O-N 2.64Å; V3-T7 HydrophobicContact CG1-CG2 4.46Å; V3-T7 WeakPolarHBondContact O-CB 3.28Å; V3-T7 WeakPolarHBondContact O-CG2 3.37Å; V3-T7 PolarHBondContact O-N 2.55Å; V3-T7 PolarHBondContact O-OG1 3.35Å; V3-L185 HydrophobicContact CG1-CD2 3.97Å; V3-L185 HydrophobicContact CG2-CD2 4.3Å; V3-Y188 HydrophobicContact CG2-CD2 3.96Å; V3-Y188 HydrophobicContact CG2-CE1 4.28Å; V3-Y188 HydrophobicContact CG2-CE2 3.63Å; V3-Y188 HydrophobicContact CG2-CG 4.41Å; V3-F190 HydrophobicContact CB-CE2 4.25Å; V3-F190 HydrophobicContact CB-CZ 4.49Å; V3-F190 HydrophobicContact CG1-CE2 4.09Å; V3-F190 HydrophobicContact CG2-CE2 4.48Å; V3-F190 HydrophobicContact CG2-CZ 4.28Å; V3-I191 HydrophobicContact CG1-CD1 3.43Å; V3-I191 VanDerWaalsContact CG1-CD1 3.43Å; V3-I191 HydrophobicContact CG1-CG1 3.93Å
4T90.8Very high86.9Confident5 Ų518.6 Ų18.63%0.03110%0.1CC..Hα-helixtrans-64.6-38173.5-45.30000111.8M1 D2 T7 L8 N24 L27 F41 I45M1-T4 CarbonylContact O-C 3.55Å; M1-T4 WeakPolarHBondContact O-CA 3.46Å; M1-T4 VanDerWaalsContact O-CB 3.23Å; M1-T4 WeakPolarHBondContact O-CB 3.15Å; M1-T4 PolarHBondContact O-N 2.82Å; D2-T4 PolarHBondContact O-N 2.83Å; T4-T7 VanDerWaalsContact CA-OG1 3.31Å; T4-T7 WeakPolarHBondContact CA-OG1 3.42Å; T4-T7 PolarHBondContact O-OG1 2.97Å; T4-T7 VanDerWaalsContact O-OG1 3.05Å; T4-L8 WeakPolarHBondContact O-CB 3.45Å; T4-L8 PolarHBondContact O-N 2.89Å; T4-N24 PolarHBondContact OG1-ND2 3.08Å; T4-L27 HydrophobicContact CG2-CD1 4.2Å; T4-L27 HydrophobicContact CG2-CD2 4.41Å; T4-F41 HydrophobicContact CG2-CE1 3.95Å; T4-F41 HydrophobicContact CG2-CZ 4.02Å; T4-I45 HydrophobicContact CG2-CG1 4.11Å; T4-I45 HydrophobicContact CG2-CG2 4.07Å
5T91.1Very high86.2Confident0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-62.4-47.8174.1-62.30000111.2M1 D2 V3 L8 V9 Y124 Y171 L214 A217 L221M1-T5 PolarHBondContact O-N 3.46Å; M1-T5 PolarHBondContact O-OG1 2.64Å; D2-T5 WeakPolarHBondContact O-CA 3.33Å; D2-T5 VanDerWaalsContact O-CB 3.26Å; D2-T5 WeakPolarHBondContact O-CB 3.31Å; D2-T5 PolarHBondContact O-N 2.8Å; V3-T5 VanDerWaalsContact C-N 3.35Å; T5-L8 PolarHBondContact O-N 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.26Å; T5-V9 PolarHBondContact O-N 3.33Å; T5-Y124 WeakPolarHBondContact CA-OH 3.33Å; T5-Y124 VanDerWaalsContact CB-OH 3.22Å; T5-Y124 WeakPolarHBondContact CB-OH 3.21Å; T5-Y124 VanDerWaalsContact CG2-OH 3.28Å; T5-Y124 WeakPolarHBondContact CG2-OH 3.25Å; T5-Y124 PolarHBondContact OG1-OH 3.4Å; T5-Y171 WeakPolarHBondContact CG2-OH 3.47Å; T5-Y171 PolarHBondContact OG1-OH 3.2Å; T5-L214 HydrophobicContact CG2-CD1 4.29Å; T5-A217 HydrophobicContact CG2-CB 4.03Å; T5-L221 HydrophobicContact CG2-CD1 3.92Å
6I89.2Confident85.5Confident4 Ų418.1 Ų18.12%0.02110%0.102CC..Hα-helixtrans-61.9-49.6-178.5-68165.1000110.4D2 V3 L8 V9 A10 P183 F211 G212 L214D2-I6 WeakPolarHBondContact O-CG1 3.44Å; D2-I6 PolarHBondContact O-N 3.24Å; V3-I6 PolarHBondContact O-N 2.64Å; I6-L8 PolarHBondContact O-N 3.22Å; I6-V9 PolarHBondContact O-N 3.39Å; I6-A10 PolarHBondContact O-N 2.89Å; I6-P183 HydrophobicContact CD1-CG 4.31Å; I6-P183 HydrophobicContact CG2-CG 4.3Å; I6-F211 HydrophobicContact CG2-CB 3.89Å; I6-F211 HydrophobicContact CG2-CD1 3.99Å; I6-F211 HydrophobicContact CG2-CG 4.35Å; I6-G212 WeakPolarHBondContact CG2-O 3.49Å; I6-L214 HydrophobicContact CD1-CB 4.33Å; I6-L214 HydrophobicContact CD1-CD1 4.28Å; I6-L214 HydrophobicContact CG1-CD1 4.05Å
7T89.2Confident85.1Confident0 Ų017.1 Ų17.10%010%0.096CC..Hα-helixtrans-63.7-39.217849.70000112.4V3 T4 A10 W11 S20 L185 F211V3-T7 HydrophobicContact CG1-CG2 4.46Å; V3-T7 WeakPolarHBondContact O-CB 3.28Å; V3-T7 WeakPolarHBondContact O-CG2 3.37Å; V3-T7 PolarHBondContact O-N 2.55Å; V3-T7 PolarHBondContact O-OG1 3.35Å; T4-T7 VanDerWaalsContact CA-OG1 3.31Å; T4-T7 WeakPolarHBondContact CA-OG1 3.42Å; T4-T7 PolarHBondContact O-OG1 2.97Å; T4-T7 VanDerWaalsContact O-OG1 3.05Å; T7-A10 PolarHBondContact O-N 2.99Å; T7-W11 PolarHBondContact O-N 2.84Å; T7-W11 VanDerWaalsContact O-N 3.1Å; T7-S20 VanDerWaalsContact CB-O 3.27Å; T7-S20 WeakPolarHBondContact CB-O 3.37Å; T7-S20 VanDerWaalsContact CG2-O 3.27Å; T7-S20 WeakPolarHBondContact CG2-O 3.25Å; T7-L185 HydrophobicContact CG2-CD1 4.38Å; T7-F211 HydrophobicContact CG2-CD1 4.41Å; T7-F211 HydrophobicContact CG2-CE1 3.84Å
8L90.9Very high84.6Confident2 Ų219.5 Ų19.51%0.0111%0.108CC..Hα-helixtrans-64.9-40.6173.6-179.570.2000112.5T4 T5 I6 W11 L12 L21 I45 L48 V49 Y124T4-L8 WeakPolarHBondContact O-CB 3.45Å; T4-L8 PolarHBondContact O-N 2.89Å; T5-L8 PolarHBondContact O-N 3.22Å; I6-L8 PolarHBondContact O-N 3.22Å; L8-W11 HydrophobicContact CD1-CE3 3.74Å; L8-W11 HydrophobicContact CD1-CZ3 4.13Å; L8-W11 WeakPolarHBondContact O-CB 3.45Å; L8-W11 PolarHBondContact O-N 3.38Å; L8-L12 HydrophobicContact CG-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 2.76Å; L8-L21 HydrophobicContact CB-CD1 4.12Å; L8-L21 HydrophobicContact CD1-CD1 4.01Å; L8-I45 HydrophobicContact CD2-CD1 4.45Å; L8-L48 HydrophobicContact CD2-CD2 4.25Å; L8-V49 HydrophobicContact CD1-CG2 3.74Å; L8-Y124 HydrophobicContact CD2-CD1 4.41Å; L8-Y124 HydrophobicContact CD2-CE1 3.59Å
9V89.7Confident84.2Confident5 Ų521.5 Ų21.53%0.0312%0.116CC..Hα-helixtrans-68.9-38177.7168.60000111.3T5 I6 W11 L12 K13 A217 Y220 L221T5-V9 WeakPolarHBondContact O-CG2 3.26Å; T5-V9 PolarHBondContact O-N 3.33Å; I6-V9 PolarHBondContact O-N 3.39Å; V9-W11 VanDerWaalsContact C-N 3.31Å; V9-W11 PolarHBondContact O-N 2.93Å; V9-L12 PolarHBondContact O-N 2.95Å; V9-K13 HydrophobicContact CG1-CD 4.24Å; V9-K13 HydrophobicContact CG1-CG 4.39Å; V9-K13 WeakPolarHBondContact O-CB 3.49Å; V9-K13 WeakPolarHBondContact O-CG 3.32Å; V9-K13 PolarHBondContact O-N 2.97Å; V9-A217 HydrophobicContact CB-CB 4.1Å; V9-A217 HydrophobicContact CG1-CB 4.34Å; V9-A217 HydrophobicContact CG2-CB 3.87Å; V9-Y220 HydrophobicContact CB-CD1 4.42Å; V9-Y220 HydrophobicContact CG1-CD1 3.64Å; V9-Y220 HydrophobicContact CG1-CE1 4.28Å; V9-Y220 HydrophobicContact CG1-CG 3.83Å; V9-Y220 HydrophobicContact CG2-CD1 4.08Å; V9-L221 HydrophobicContact CG2-CD1 4.26Å; V9-L221 HydrophobicContact CG2-CD2 4.06Å; V9-L221 HydrophobicContact CG2-CG 3.91Å
10A85.4Confident84.2Confident5 Ų520.4 Ų20.44%0.04111%0.111CC..Hα-helixtrans-57.9-45.2172.400000111.3I6 T7 K13 G14 C15 V209 F211I6-A10 PolarHBondContact O-N 2.89Å; T7-A10 PolarHBondContact O-N 2.99Å; A10-K13 WeakPolarHBondContact O-CB 3.42Å; A10-K13 PolarHBondContact O-N 3.38Å; A10-G14 PolarHBondContact O-N 3.35Å; A10-C15 HydrophobicContact CB-CB 4.46Å; A10-C15 WeakPolarHBondContact O-CB 3.22Å; A10-C15 PolarHBondContact O-N 3.47Å; A10-C15 VanDerWaalsContact O-N 3.14Å; A10-C15 PolarHBondContact O-SG 3.2Å; A10-V209 HydrophobicContact CB-CG1 4.37Å; A10-F211 HydrophobicContact CB-CD1 3.9Å; A10-F211 HydrophobicContact CB-CE1 4.01Å
11W85.8Confident84.2Confident1 Ų119.5 Ų19.50%0.00411%0.106CC..Hα-helixtrans-60-47.6172.8177.868.3000112.9T7 L8 V9 K13 G14 S20 L21 V49 V52 M76T7-W11 PolarHBondContact O-N 2.84Å; T7-W11 VanDerWaalsContact O-N 3.1Å; L8-W11 HydrophobicContact CD1-CE3 3.74Å; L8-W11 HydrophobicContact CD1-CZ3 4.13Å; L8-W11 WeakPolarHBondContact O-CB 3.45Å; L8-W11 PolarHBondContact O-N 3.38Å; V9-W11 VanDerWaalsContact C-N 3.31Å; V9-W11 PolarHBondContact O-N 2.93Å; W11-K13 PolarHBondContact O-N 2.92Å; W11-G14 PolarHBondContact O-N 2.73Å; W11-S20 WeakPolarHBondContact CB-OG 3.24Å; W11-L21 HydrophobicContact CB-CB 4.42Å; W11-V49 HydrophobicContact CE3-CG2 4.35Å; W11-V49 HydrophobicContact CH2-CB 4.16Å; W11-V49 HydrophobicContact CH2-CG1 3.73Å; W11-V49 HydrophobicContact CH2-CG2 4.29Å; W11-V49 HydrophobicContact CZ2-CG1 3.8Å; W11-V49 HydrophobicContact CZ3-CB 4.34Å; W11-V49 HydrophobicContact CZ3-CG1 4.24Å; W11-V49 HydrophobicContact CZ3-CG2 3.98Å; W11-V52 HydrophobicContact CH2-CB 3.79Å; W11-V52 HydrophobicContact CH2-CG1 3.44Å; W11-V52 VanDerWaalsContact CH2-CG1 3.44Å; W11-V52 HydrophobicContact CZ2-CG1 4.47Å; W11-V52 HydrophobicContact CZ3-CB 4.1Å; W11-V52 HydrophobicContact CZ3-CG1 3.74Å; W11-M76 HydrophobicContact CD2-CG 4.49Å; W11-M76 HydrophobicContact CZ2-CB 3.72Å; W11-M76 HydrophobicContact CZ2-CG 3.91Å; W11-M76 WeakPolarHBondContact CZ2-O 3.49Å; W11-M76 HydrophobicContact CZ2-SD 4.5Å
12L86.9Confident84.1Confident8 Ų818 Ų184%0.04210%0.098CC..Hα-helixtrans-63.6-20.9177.7-73172.6000113.5L8 V9 V52 M76 Y220 L221 M224 L263L8-L12 HydrophobicContact CG-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CG 3.43Å; L8-L12 PolarHBondContact O-N 2.76Å; V9-L12 PolarHBondContact O-N 2.95Å; L12-V52 HydrophobicContact CD2-CG1 4.16Å; L12-M76 WeakPolarHBondContact O-CE 3.46Å; L12-Y220 HydrophobicContact CB-CE1 3.79Å; L12-Y220 HydrophobicContact CD1-CE1 4.19Å; L12-Y220 PolarHBondContact O-OH 3.13Å; L12-L221 HydrophobicContact CD1-CD2 4.47Å; L12-M224 HydrophobicContact CD1-SD 4.2Å; L12-L263 HydrophobicContact CD2-CD2 4.24Å
13K80.9Confident83.9Confident111 Ų11116 Ų1648%0.4839%0.088SC..THydrogen-bonded Turntrans-84.6-6.7173.7-75.4178.9175.3-173.50113.5V9 A10 W11 Y220V9-K13 HydrophobicContact CG1-CD 4.24Å; V9-K13 HydrophobicContact CG1-CG 4.39Å; V9-K13 WeakPolarHBondContact O-CB 3.49Å; V9-K13 WeakPolarHBondContact O-CG 3.32Å; V9-K13 PolarHBondContact O-N 2.97Å; A10-K13 WeakPolarHBondContact O-CB 3.42Å; A10-K13 PolarHBondContact O-N 3.38Å; W11-K13 PolarHBondContact O-N 2.92Å; K13-Y220 HydrophobicContact CG-CD2 4.22Å; K13-Y220 HydrophobicContact CG-CE2 3.85Å
14G75.3Confident83.9Confident23 Ų2315.6 Ų15.624%0.2379%0.085CC..THydrogen-bonded Turntrans116.51.1175.800000115.6A10 W11A10-G14 PolarHBondContact O-N 3.35Å; W11-G14 PolarHBondContact O-N 2.73Å
15C76.4Confident83.7Confident24 Ų2418.8 Ų18.816%0.16210%0.102CC..  trans-68.2150.7175.1-55.80000111.2A10 V209A10-C15 HydrophobicContact CB-CB 4.46Å; A10-C15 WeakPolarHBondContact O-CB 3.22Å; A10-C15 PolarHBondContact O-N 3.47Å; A10-C15 VanDerWaalsContact O-N 3.14Å; A10-C15 PolarHBondContact O-SG 3.2Å; C15-V209 HydrophobicContact CB-CG1 4.15Å; C15-V209 HydrophobicContact CB-CG2 4.24Å
16G75.5Confident83.6Confident6 Ų623.3 Ų23.36%0.06212%0.119CC..  trans-55.6142.3172.900000111.7L18 E19 S20G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 3.23Å; G16-E19 PolarHBondContact O-N 2.93Å; G16-S20 WeakPolarHBondContact O-CB 3.43Å; G16-S20 PolarHBondContact O-N 2.68Å; G16-S20 PolarHBondContact O-OG 2.9Å
17A78.2Confident83.5Confident0 Ų023.1 Ų23.10%012%0.118CC..THydrogen-bonded Turntrans-65.2-36.5-179.800000112.1L21 F22 E79A17-L21 CarbonylContact O-C 3.4Å; A17-L21 WeakPolarHBondContact O-CA 3.4Å; A17-L21 WeakPolarHBondContact O-CB 3.34Å; A17-L21 PolarHBondContact O-N 3.36Å; A17-F22 HydrophobicContact CB-CD2 4.09Å; A17-F22 HydrophobicContact CB-CE2 4.22Å; A17-F22 PolarHBondContact O-N 3.29Å; A17-E79 WeakPolarHBondContact CA-OE2 3.45Å; A17-E79 HydrophobicContact CB-CB 4.18Å; A17-E79 PolarHBondContact N-OE2 2.92Å
18L76.6Confident83.4Confident61 Ų6126.8 Ų26.832%0.31914%0.135SC..THydrogen-bonded Turntrans-66.7-42.6175-72172.6000111.7G16 S20 F22 T23 E79 F83G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 3.23Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-F22 HydrophobicContact CD2-CB 4.42Å; L18-T23 WeakPolarHBondContact O-CG2 3.28Å; L18-E79 WeakPolarHBondContact CB-OE2 3.39Å; L18-E79 HydrophobicContact CD1-CB 4.28Å; L18-E79 HydrophobicContact CD1-CG 4.1Å; L18-E79 HydrophobicContact CG-CB 4.17Å; L18-E79 HydrophobicContact CG-CG 4.33Å; L18-E79 PolarHBondContact N-OE2 3.18Å; L18-F83 HydrophobicContact CD2-CE2 3.41Å; L18-F83 VanDerWaalsContact CD2-CE2 3.41Å; L18-F83 HydrophobicContact CD2-CZ 3.44Å; L18-F83 VanDerWaalsContact CD2-CZ 3.44Å; L18-F83 HydrophobicContact CG-CE2 4.38Å
19E76.9Confident83.1Confident57 Ų5730.6 Ų30.627%0.26615%0.153SC..THydrogen-bonded Turntrans-78.6-16.9-176.7-56.7-179.315000113.5G16 T23 C194 V209G16-E19 PolarHBondContact O-N 2.93Å; E19-T23 WeakPolarHBondContact O-CG2 3.33Å; E19-C194 PolarHBondContact O-SG 3.49Å; E19-V209 HydrophobicContact CB-CG2 3.91Å
20S84.1Confident83Confident0 Ų030.4 Ų30.40%015%0.152CC..THydrogen-bonded Turntrans-120.2-72.4-17961.80000112.3T7 W11 G16 L18 T23T7-S20 VanDerWaalsContact CB-O 3.27Å; T7-S20 WeakPolarHBondContact CB-O 3.37Å; T7-S20 VanDerWaalsContact CG2-O 3.27Å; T7-S20 WeakPolarHBondContact CG2-O 3.25Å; W11-S20 WeakPolarHBondContact CB-OG 3.24Å; G16-S20 WeakPolarHBondContact O-CB 3.43Å; G16-S20 PolarHBondContact O-N 2.68Å; G16-S20 PolarHBondContact O-OG 2.9Å; L18-S20 VanDerWaalsContact C-N 3.33Å; S20-T23 WeakPolarHBondContact O-CG2 3.37Å; S20-T23 PolarHBondContact O-OG1 3.25Å
21L84.2Confident83Confident2 Ų234.7 Ų34.71%0.0117%0.167CC..THydrogen-bonded Turntrans-68.9-51.7-170.8-177.272.8000113.6L8 W11 A17 T23 N24 L27 I45 V49L8-L21 HydrophobicContact CB-CD1 4.12Å; L8-L21 HydrophobicContact CD1-CD1 4.01Å; W11-L21 HydrophobicContact CB-CB 4.42Å; A17-L21 CarbonylContact O-C 3.4Å; A17-L21 WeakPolarHBondContact O-CA 3.4Å; A17-L21 WeakPolarHBondContact O-CB 3.34Å; A17-L21 PolarHBondContact O-N 3.36Å; L21-T23 VanDerWaalsContact C-N 3.25Å; L21-T23 PolarHBondContact O-N 3.12Å; L21-N24 WeakPolarHBondContact O-CB 3.11Å; L21-N24 PolarHBondContact O-N 3.43Å; L21-L27 HydrophobicContact CD1-CD1 3.51Å; L21-L27 HydrophobicContact CD2-CD1 4.47Å; L21-L27 HydrophobicContact CG-CD1 3.67Å; L21-I45 HydrophobicContact CD1-CG2 4.25Å; L21-V49 HydrophobicContact CD2-CB 4.15Å; L21-V49 HydrophobicContact CD2-CG1 3.78Å; L21-V49 HydrophobicContact CD2-CG2 3.43Å; L21-V49 VanDerWaalsContact CD2-CG2 3.43Å
22F83.5Confident83.1Confident8 Ų841 Ų414%0.03520%0.195CC..THydrogen-bonded Turntrans-82.10.8-174.4-71.6-70000114.5A17 L18 N24 L27 Q28 L80 F83A17-F22 HydrophobicContact CB-CD2 4.09Å; A17-F22 HydrophobicContact CB-CE2 4.22Å; A17-F22 PolarHBondContact O-N 3.29Å; L18-F22 HydrophobicContact CD2-CB 4.42Å; F22-N24 PolarHBondContact O-N 2.99Å; F22-L27 HydrophobicContact CD1-CB 4.15Å; F22-L27 HydrophobicContact CE1-CB 4.31Å; F22-Q28 PolarHBondContact O-NE2 2.72Å; F22-L80 HydrophobicContact CE2-CD2 3.75Å; F22-L80 HydrophobicContact CZ-CD2 4Å; F22-F83 HydrophobicContact CB-CE1 4.46Å; F22-F83 HydrophobicContact CB-CE2 4.27Å; F22-F83 HydrophobicContact CB-CZ 3.87Å; F22-F83 AromaticContact CD1-CD1 4Å; F22-F83 HydrophobicContact CD1-CD1 4Å; F22-F83 HydrophobicContact CD1-CD2 4.27Å; F22-F83 AromaticContact CD1-CE1 3.81Å; F22-F83 HydrophobicContact CD1-CE1 3.81Å; F22-F83 HydrophobicContact CD1-CE2 4.09Å; F22-F83 HydrophobicContact CD1-CG 4.21Å; F22-F83 AromaticContact CD1-CZ 3.85Å; F22-F83 HydrophobicContact CD1-CZ 3.85Å; F22-F83 AromaticContact CD2-CD2 3.72Å; F22-F83 HydrophobicContact CD2-CD2 3.72Å; F22-F83 AromaticContact CD2-CE2 3.34Å; F22-F83 HydrophobicContact CD2-CE2 3.34Å; F22-F83 HydrophobicContact CD2-CG 4.44Å; F22-F83 AromaticContact CD2-CZ 3.8Å; F22-F83 HydrophobicContact CD2-CZ 3.8Å; F22-F83 HydrophobicContact CE1-CB 4.2Å; F22-F83 AromaticContact CE1-CD1 3.81Å; F22-F83 HydrophobicContact CE1-CD1 3.81Å; F22-F83 AromaticContact CE1-CD2 3.95Å; F22-F83 HydrophobicContact CE1-CD2 3.95Å; F22-F83 HydrophobicContact CE1-CE1 4.12Å; F22-F83 HydrophobicContact CE1-CE2 4.24Å; F22-F83 AromaticContact CE1-CG 3.71Å; F22-F83 HydrophobicContact CE1-CG 3.71Å; F22-F83 HydrophobicContact CE1-CZ 4.32Å; F22-F83 AromaticContact CE2-CD2 3.36Å; F22-F83 HydrophobicContact CE2-CD2 3.36Å; F22-F83 AromaticContact CE2-CE2 3.53Å; F22-F83 HydrophobicContact CE2-CE2 3.53Å; F22-F83 AromaticContact CE2-CG 3.97Å; F22-F83 HydrophobicContact CE2-CG 3.97Å; F22-F83 HydrophobicContact CE2-CZ 4.27Å; F22-F83 HydrophobicContact CG-CD2 4.16Å; F22-F83 HydrophobicContact CG-CE1 4.03Å; F22-F83 AromaticContact CG-CE2 3.64Å; F22-F83 HydrophobicContact CG-CE2 3.64Å; F22-F83 AromaticContact CG-CZ 3.57Å; F22-F83 HydrophobicContact CG-CZ 3.57Å; F22-F83 HydrophobicContact CZ-CB 3.89Å; F22-F83 HydrophobicContact CZ-CD1 4.17Å; F22-F83 AromaticContact CZ-CD2 3.48Å; F22-F83 HydrophobicContact CZ-CD2 3.48Å; F22-F83 VanDerWaalsContact CZ-CD2 3.48Å; F22-F83 AromaticContact CZ-CE2 3.98Å; F22-F83 HydrophobicContact CZ-CE2 3.98Å; F22-F83 AromaticContact CZ-CG 3.58Å; F22-F83 HydrophobicContact CZ-CG 3.58Å
23T83.3Confident83.3Confident5 Ų541.7 Ų41.73%0.03120%0.198CC..THydrogen-bonded Turntrans-56.4-31160.667.90000110.6L18 E19 S20 L21 L25 I191 S192 C194L18-T23 WeakPolarHBondContact O-CG2 3.28Å; E19-T23 WeakPolarHBondContact O-CG2 3.33Å; S20-T23 WeakPolarHBondContact O-CG2 3.37Å; S20-T23 PolarHBondContact O-OG1 3.25Å; L21-T23 VanDerWaalsContact C-N 3.25Å; L21-T23 PolarHBondContact O-N 3.12Å; T23-L25 PolarHBondContact O-N 3.17Å; T23-I191 CarbonylContact O-C 3.17Å; T23-I191 WeakPolarHBondContact O-CA 3.35Å; T23-S192 PolarHBondContact O-N 2.93Å; T23-C194 WeakPolarHBondContact CG2-SG 3.31Å
24N87.6Confident83.7Confident1 Ų145.1 Ų45.11%0.00522%0.216CC..BIsolated β-bridgetrans-75.5104.7173.3-170.6-18.7000111.6T4 L21 F22 Y26 L27 I191T4-N24 PolarHBondContact OG1-ND2 3.08Å; L21-N24 WeakPolarHBondContact O-CB 3.11Å; L21-N24 PolarHBondContact O-N 3.43Å; F22-N24 PolarHBondContact O-N 2.99Å; N24-Y26 PolarHBondContact O-N 3.09Å; N24-Y26 VanDerWaalsContact O-N 3.12Å; N24-Y26 WeakPolarHBondContact OD1-CB 3.43Å; N24-Y26 WeakPolarHBondContact OD1-CD2 3.45Å; N24-Y26 PolarHBondContact OD1-N 3.06Å; N24-L27 HydrophobicContact CB-CD1 4.3Å; N24-L27 HydrophobicContact CB-CG 4.3Å; N24-L27 WeakPolarHBondContact O-CB 3.36Å; N24-L27 PolarHBondContact O-N 3.21Å; N24-I191 HydrophobicContact CB-CD1 4.05Å
25L87Confident84.4Confident72 Ų7248.6 Ų48.638%0.37723%0.226SC..G310 helixtrans-58.1-28-177.8-63.9-178.4000113.4T23 L27 Q28 F190T23-L25 PolarHBondContact O-N 3.17Å; L25-L27 PolarHBondContact O-N 3.03Å; L25-Q28 WeakPolarHBondContact O-CB 3.42Å; L25-Q28 PolarHBondContact O-N 2.95Å; L25-Q28 VanDerWaalsContact O-N 3.08Å; L25-F190 WeakPolarHBondContact CB-O 3.44Å; L25-F190 VanDerWaalsContact CG-O 3.31Å; L25-F190 WeakPolarHBondContact CG-O 3.37Å; L25-F190 PolarHBondContact N-O 3.45Å
26Y88.8Confident85Confident95 Ų9550.2 Ų50.237%0.37323%0.232SC..G310 helixtrans-63.7-21.1176.9-69.3-67.5000113.6N24 I33 L38 F190N24-Y26 PolarHBondContact O-N 3.09Å; N24-Y26 VanDerWaalsContact O-N 3.12Å; N24-Y26 WeakPolarHBondContact OD1-CB 3.43Å; N24-Y26 WeakPolarHBondContact OD1-CD2 3.45Å; N24-Y26 PolarHBondContact OD1-N 3.06Å; Y26-I33 HydrophobicContact CD1-CD1 3.88Å; Y26-I33 HydrophobicContact CD1-CG1 4.26Å; Y26-L38 HydrophobicContact CD1-CD2 3.99Å; Y26-L38 HydrophobicContact CE1-CD2 3.84Å; Y26-F190 HydrophobicContact CD2-CB 4.09Å; Y26-F190 AromaticContact CD2-CD2 3.94Å; Y26-F190 HydrophobicContact CD2-CD2 3.94Å; Y26-F190 AromaticContact CD2-CG 3.98Å; Y26-F190 HydrophobicContact CD2-CG 3.98Å; Y26-F190 HydrophobicContact CE2-CB 3.7Å; Y26-F190 AromaticContact CE2-CD1 3.81Å; Y26-F190 HydrophobicContact CE2-CD1 3.81Å; Y26-F190 AromaticContact CE2-CD2 3.91Å; Y26-F190 HydrophobicContact CE2-CD2 3.91Å; Y26-F190 HydrophobicContact CE2-CE1 4.42Å; Y26-F190 AromaticContact CE2-CG 3.53Å; Y26-F190 HydrophobicContact CE2-CG 3.53Å
27L88.2Confident85.7Confident0 Ų049.9 Ų49.90%023%0.229CC..G310 helixtrans-84.9-14.9177.1-60.7-176.8000112.9T4 L21 F22 N24 L25 C42 I45 R46T4-L27 HydrophobicContact CG2-CD1 4.2Å; T4-L27 HydrophobicContact CG2-CD2 4.41Å; L21-L27 HydrophobicContact CD1-CD1 3.51Å; L21-L27 HydrophobicContact CD2-CD1 4.47Å; L21-L27 HydrophobicContact CG-CD1 3.67Å; F22-L27 HydrophobicContact CD1-CB 4.15Å; F22-L27 HydrophobicContact CE1-CB 4.31Å; N24-L27 HydrophobicContact CB-CD1 4.3Å; N24-L27 HydrophobicContact CB-CG 4.3Å; N24-L27 WeakPolarHBondContact O-CB 3.36Å; N24-L27 PolarHBondContact O-N 3.21Å; L25-L27 PolarHBondContact O-N 3.03Å; L27-C42 HydrophobicContact CD2-CB 3.95Å; L27-I45 HydrophobicContact CD1-CG2 4.09Å; L27-I45 HydrophobicContact CD2-CB 4.06Å; L27-I45 HydrophobicContact CD2-CG2 3.95Å; L27-R46 VanDerWaalsContact O-CD 3.22Å; L27-R46 WeakPolarHBondContact O-CD 3.4Å; L27-R46 PolarHBondContact O-NH1 2.95Å
28Q85.3Confident86.3Confident76 Ų7651.9 Ų51.936%0.35524%0.239SC..THydrogen-bonded Turntrans-71.8-48.7-177.8-62.8-174.8-4.400111.9F22 L25 R46F22-Q28 PolarHBondContact O-NE2 2.72Å; L25-Q28 WeakPolarHBondContact O-CB 3.42Å; L25-Q28 PolarHBondContact O-N 2.95Å; L25-Q28 VanDerWaalsContact O-N 3.08Å; Q28-R46 PolarHBondContact O-NH1 3.36Å
29E85.1Confident87Confident82 Ų8252.4 Ų52.438%0.38324%0.237SC..  trans-135.168.7180-60.7-177.3119.900113W31 K32E29-W31 HydrophobicContact CB-CH2 4.27Å; E29-W31 HydrophobicContact CB-CZ2 3.85Å; E29-W31 HydrophobicContact CG-CH2 4.15Å; E29-W31 HydrophobicContact CG-CZ2 3.73Å; E29-W31 PolarHBondContact O-N 3.05Å; E29-K32 HydrophobicContact CB-CD 4.21Å; E29-K32 HydrophobicContact CB-CG 4.27Å; E29-K32 VanDerWaalsContact CD-CE 3.44Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 VanDerWaalsContact OE1-CE 3.25Å; E29-K32 WeakPolarHBondContact OE1-CE 3.27Å; E29-K32 IonicContact OE1-NZ 2.83Å; E29-K32 PolarHBondContact OE1-NZ 3.38Å; E29-K32 VanDerWaalsContact OE2-CD 3.26Å; E29-K32 WeakPolarHBondContact OE2-CD 3.27Å; E29-K32 WeakPolarHBondContact OE2-CE 3.36Å; E29-K32 IonicContact OE2-NZ 2.64Å; E29-K32 PolarHBondContact OE2-NZ 3.29Å
30P88.1Confident87.7Confident2 Ų249.8 Ų49.81%0.01323%0.225CC..G310 helixtrans-57.9-27.7-175-26.534.9000114.8K32 I33 R39 C42 R46P30-K32 PolarHBondContact O-N 3.16Å; P30-I33 HydrophobicContact CB-CD1 4.45Å; P30-I33 WeakPolarHBondContact O-CB 3.45Å; P30-I33 WeakPolarHBondContact O-CG1 3.26Å; P30-I33 PolarHBondContact O-N 2.81Å; P30-I33 VanDerWaalsContact O-N 3.16Å; P30-R39 WeakPolarHBondContact O-CG 3.47Å; P30-C42 HydrophobicContact CB-CB 3.88Å; P30-C42 HydrophobicContact CG-CB 4.01Å; P30-R46 VanDerWaalsContact CD-NH1 3.27Å; P30-R46 HydrophobicContact CG-CG 4.47Å
31W85.2Confident88.1Confident94 Ų9449.8 Ų49.836%0.35623%0.225SC..G310 helixtrans-68.7-18.8-179.256.386.5000113.7E29 I33 H86E29-W31 HydrophobicContact CB-CH2 4.27Å; E29-W31 HydrophobicContact CB-CZ2 3.85Å; E29-W31 HydrophobicContact CG-CH2 4.15Å; E29-W31 HydrophobicContact CG-CZ2 3.73Å; E29-W31 PolarHBondContact O-N 3.05Å; W31-I33 VanDerWaalsContact C-N 3.3Å; W31-H86 HydrophobicContact CH2-CB 4.38Å
32K88.3Confident88.5Confident135 Ų13549.7 Ų49.759%0.58722%0.224SC*.G310 helixtrans-80.8-10.3174-65.6-171.9-175.7168.70113.2E29 P30 E34E29-K32 HydrophobicContact CB-CD 4.21Å; E29-K32 HydrophobicContact CB-CG 4.27Å; E29-K32 VanDerWaalsContact CD-CE 3.44Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 VanDerWaalsContact OE1-CE 3.25Å; E29-K32 WeakPolarHBondContact OE1-CE 3.27Å; E29-K32 IonicContact OE1-NZ 2.83Å; E29-K32 PolarHBondContact OE1-NZ 3.38Å; E29-K32 VanDerWaalsContact OE2-CD 3.26Å; E29-K32 WeakPolarHBondContact OE2-CD 3.27Å; E29-K32 WeakPolarHBondContact OE2-CE 3.36Å; E29-K32 IonicContact OE2-NZ 2.64Å; E29-K32 PolarHBondContact OE2-NZ 3.29Å; P30-K32 PolarHBondContact O-N 3.16Å; K32-E34 PolarHBondContact O-N 3.32Å
33I90.2Very high88.9Confident22 Ų2250.2 Ų50.211%0.11323%0.228CC..  trans-73.1122.6-179.2-57.8173.2000109.3Y26 P30 W31 L38 R39 C42Y26-I33 HydrophobicContact CD1-CD1 3.88Å; Y26-I33 HydrophobicContact CD1-CG1 4.26Å; P30-I33 HydrophobicContact CB-CD1 4.45Å; P30-I33 WeakPolarHBondContact O-CB 3.45Å; P30-I33 WeakPolarHBondContact O-CG1 3.26Å; P30-I33 PolarHBondContact O-N 2.81Å; P30-I33 VanDerWaalsContact O-N 3.16Å; W31-I33 VanDerWaalsContact C-N 3.3Å; I33-L38 HydrophobicContact CD1-CG 4.29Å; I33-L38 HydrophobicContact CG2-CB 4.09Å; I33-L38 HydrophobicContact CG2-CD2 4.03Å; I33-L38 HydrophobicContact CG2-CG 4.09Å; I33-R39 HydrophobicContact CB-CB 3.92Å; I33-R39 HydrophobicContact CG2-CB 4.08Å; I33-R39 WeakPolarHBondContact O-CD 3.38Å; I33-R39 PolarHBondContact O-NH1 3.08Å; I33-C42 HydrophobicContact CD1-CB 4.13Å
34E90.2Very high89.4Confident183 Ų18350 Ų5086%0.85523%0.227SC*.  trans-71.5-42.6-179.5-63.2-176.117000112.2K32 M36K32-E34 PolarHBondContact O-N 3.32Å; E34-M36 PolarHBondContact O-N 2.95Å
35E90.6Very high89.7Confident96 Ų9650 Ų5045%0.44923%0.227SC..SBendtrans-69.6118.3-179.2-157.9-70.5116.700110.5G37 L38 R39E35-G37 PolarHBondContact O-N 3.39Å; E35-G37 PolarHBondContact OE1-N 3.42Å; E35-G37 VanDerWaalsContact OE2-CA 3.28Å; E35-G37 WeakPolarHBondContact OE2-CA 3.31Å; E35-G37 PolarHBondContact OE2-N 3.23Å; E35-L38 HydrophobicContact CB-CB 4.49Å; E35-L38 WeakPolarHBondContact OE2-CB 3.35Å; E35-L38 PolarHBondContact OE2-N 3.36Å; E35-R39 VanDerWaalsContact O-CB 3.25Å; E35-R39 WeakPolarHBondContact O-CB 3.43Å; E35-R39 PolarHBondContact O-N 2.82Å
36M88.8Confident89.8Confident57 Ų5746.9 Ų46.928%0.28121%0.21SC..Hα-helixtrans-62.3-39.8-171.7-177.862.6-176.100112.8E34 R39 T40 V101E34-M36 PolarHBondContact O-N 2.95Å; M36-R39 PolarHBondContact SD-NH2 2.6Å; M36-T40 WeakPolarHBondContact CE-OG1 3.43Å; M36-T40 VanDerWaalsContact O-CB 3.31Å; M36-T40 WeakPolarHBondContact O-CB 3.23Å; M36-T40 PolarHBondContact O-N 3Å; M36-T40 PolarHBondContact O-OG1 3.1Å; M36-V101 HydrophobicContact CG-CG2 4.15Å
37G88.9Confident89.9Confident0 Ų043.4 Ų43.40%020%0.197CC..Hα-helixtrans-63.1-51-179.100000112.7E35 T40 F41E35-G37 PolarHBondContact O-N 3.39Å; E35-G37 PolarHBondContact OE1-N 3.42Å; E35-G37 VanDerWaalsContact OE2-CA 3.28Å; E35-G37 WeakPolarHBondContact OE2-CA 3.31Å; E35-G37 PolarHBondContact OE2-N 3.23Å; G37-T40 PolarHBondContact O-N 3.5Å; G37-F41 WeakPolarHBondContact O-CB 3.39Å; G37-F41 PolarHBondContact O-N 3.22Å
38L90.7Very high90.1Very high41 Ų4143.6 Ų43.622%0.21520%0.198CC..Hα-helixtrans-66.1-42.5178.6-176.962.7000111.2Y26 I33 E35 T40 F41 C42Y26-L38 HydrophobicContact CD1-CD2 3.99Å; Y26-L38 HydrophobicContact CE1-CD2 3.84Å; I33-L38 HydrophobicContact CD1-CG 4.29Å; I33-L38 HydrophobicContact CG2-CB 4.09Å; I33-L38 HydrophobicContact CG2-CD2 4.03Å; I33-L38 HydrophobicContact CG2-CG 4.09Å; E35-L38 HydrophobicContact CB-CB 4.49Å; E35-L38 WeakPolarHBondContact OE2-CB 3.35Å; E35-L38 PolarHBondContact OE2-N 3.36Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 3.15Å; L38-F41 HydrophobicContact CD1-CD1 4.35Å; L38-F41 PolarHBondContact O-N 2.72Å; L38-C42 WeakPolarHBondContact O-CB 3.41Å; L38-C42 PolarHBondContact O-N 3.45Å; L38-C42 PolarHBondContact O-SG 3Å
39R91.8Very high90.3Very high73 Ų7340 Ų4028%0.27518%0.181SC..Hα-helixtrans-55.1-49.617317416760.7-142.63.1111.5P30 I33 E35 M36 T43P30-R39 WeakPolarHBondContact O-CG 3.47Å; I33-R39 HydrophobicContact CB-CB 3.92Å; I33-R39 HydrophobicContact CG2-CB 4.08Å; I33-R39 WeakPolarHBondContact O-CD 3.38Å; I33-R39 PolarHBondContact O-NH1 3.08Å; E35-R39 VanDerWaalsContact O-CB 3.25Å; E35-R39 WeakPolarHBondContact O-CB 3.43Å; E35-R39 PolarHBondContact O-N 2.82Å; M36-R39 PolarHBondContact SD-NH2 2.6Å; R39-T43 WeakPolarHBondContact O-CB 3.37Å; R39-T43 PolarHBondContact O-N 2.77Å; R39-T43 PolarHBondContact O-OG1 2.96Å
40T91.2Very high90.4Very high1 Ų138.9 Ų38.91%0.00618%0.178CC..Hα-helixtrans-69-39.3-176.9-48.70000110.9M36 G37 L38 T43 L44 L94 L98M36-T40 WeakPolarHBondContact CE-OG1 3.43Å; M36-T40 VanDerWaalsContact O-CB 3.31Å; M36-T40 WeakPolarHBondContact O-CB 3.23Å; M36-T40 PolarHBondContact O-N 3Å; M36-T40 PolarHBondContact O-OG1 3.1Å; G37-T40 PolarHBondContact O-N 3.5Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 3.15Å; T40-T43 PolarHBondContact O-N 3.38Å; T40-L44 WeakPolarHBondContact O-CB 3.28Å; T40-L44 PolarHBondContact O-N 2.99Å; T40-L94 HydrophobicContact CG2-CD1 3.58Å; T40-L98 HydrophobicContact CG2-CB 4.45Å; T40-L98 HydrophobicContact CG2-CD2 3.44Å; T40-L98 VanDerWaalsContact CG2-CD2 3.44Å; T40-L98 HydrophobicContact CG2-CG 3.49Å; T40-L98 VanDerWaalsContact CG2-CG 3.49Å
41F93.6Very high90.5Very high0 Ų039.5 Ų39.50%018%0.181CC..Hα-helixtrans-60.7-51.5173.1171.1-103.8000112.6M1 T4 G37 L38 T43 L44 I45 L121 Y124M1-F41 HydrophobicContact CB-CE1 4.35Å; M1-F41 HydrophobicContact CB-CZ 4.17Å; M1-F41 HydrophobicContact CE-CB 3.83Å; M1-F41 HydrophobicContact CE-CD1 4.13Å; M1-F41 HydrophobicContact CE-CD2 3.73Å; M1-F41 HydrophobicContact CE-CE2 4.33Å; M1-F41 HydrophobicContact CE-CG 3.61Å; M1-F41 HydrophobicContact CG-CD1 3.98Å; M1-F41 HydrophobicContact CG-CD2 4.34Å; M1-F41 HydrophobicContact CG-CE1 3.73Å; M1-F41 HydrophobicContact CG-CE2 4.1Å; M1-F41 HydrophobicContact CG-CG 4.28Å; M1-F41 HydrophobicContact CG-CZ 3.79Å; M1-F41 HydrophobicContact SD-CD2 4.4Å; M1-F41 HydrophobicContact SD-CE2 4.43Å; T4-F41 HydrophobicContact CG2-CE1 3.95Å; T4-F41 HydrophobicContact CG2-CZ 4.02Å; G37-F41 WeakPolarHBondContact O-CB 3.39Å; G37-F41 PolarHBondContact O-N 3.22Å; L38-F41 HydrophobicContact CD1-CD1 4.35Å; L38-F41 PolarHBondContact O-N 2.72Å; F41-T43 VanDerWaalsContact C-N 3.27Å; F41-T43 PolarHBondContact O-N 2.92Å; F41-L44 WeakPolarHBondContact O-CB 3.48Å; F41-L44 PolarHBondContact O-N 3.31Å; F41-L44 VanDerWaalsContact O-N 3.1Å; F41-I45 HydrophobicContact CD1-CG1 4.47Å; F41-I45 HydrophobicContact CD2-CG1 4.28Å; F41-I45 HydrophobicContact CE1-CG1 4.01Å; F41-I45 HydrophobicContact CE2-CD1 3.84Å; F41-I45 HydrophobicContact CE2-CG1 3.81Å; F41-I45 HydrophobicContact CZ-CD1 3.92Å; F41-I45 HydrophobicContact CZ-CG1 3.65Å; F41-I45 WeakPolarHBondContact O-CG1 3.31Å; F41-I45 PolarHBondContact O-N 3.05Å; F41-L121 HydrophobicContact CB-CD1 3.86Å; F41-L121 HydrophobicContact CD2-CD1 3.92Å; F41-L121 HydrophobicContact CG-CD1 4.35Å; F41-Y124 AromaticContact CE2-CD2 3.66Å; F41-Y124 HydrophobicContact CE2-CD2 3.66Å; F41-Y124 HydrophobicContact CE2-CE2 4.06Å; F41-Y124 HydrophobicContact CE2-CG 4.35Å; F41-Y124 HydrophobicContact CZ-CD2 4.43Å; F41-Y124 HydrophobicContact CZ-CE2 4.42Å
42C92.7Very high90.7Very high0 Ų035.2 Ų35.20%017%0.165CC..Hα-helixtrans-63.6-36.9-179.3-64.30000111.4L27 P30 I33 L38 I45 R46L27-C42 HydrophobicContact CD2-CB 3.95Å; P30-C42 HydrophobicContact CB-CB 3.88Å; P30-C42 HydrophobicContact CG-CB 4.01Å; I33-C42 HydrophobicContact CD1-CB 4.13Å; L38-C42 WeakPolarHBondContact O-CB 3.41Å; L38-C42 PolarHBondContact O-N 3.45Å; L38-C42 PolarHBondContact O-SG 3Å; C42-I45 PolarHBondContact O-N 3.03Å; C42-R46 PolarHBondContact O-N 3.35Å; C42-R46 VanDerWaalsContact O-N 3.16Å
43T91.3Very high90.6Very high20 Ų2029 Ų2912%0.12314%0.139CC..Hα-helixtrans-61.6-44.6172.6-55.60000111.4R39 T40 F41 R46 K47 L94R39-T43 WeakPolarHBondContact O-CB 3.37Å; R39-T43 PolarHBondContact O-N 2.77Å; R39-T43 PolarHBondContact O-OG1 2.96Å; T40-T43 PolarHBondContact O-N 3.38Å; F41-T43 VanDerWaalsContact C-N 3.27Å; F41-T43 PolarHBondContact O-N 2.92Å; T43-R46 PolarHBondContact O-N 2.87Å; T43-K47 WeakPolarHBondContact O-CG 3.5Å; T43-K47 PolarHBondContact O-N 2.88Å; T43-K47 VanDerWaalsContact O-N 3.1Å; T43-L94 HydrophobicContact CG2-CD1 3.96Å
44L93.8Very high90.3Very high0 Ų030.2 Ų30.20%015%0.149CC..Hα-helixtrans-60.4-45.5175.8175.870.6000112.4T40 F41 R46 K47 L48 L94 L98 R125 Y128T40-L44 WeakPolarHBondContact O-CB 3.28Å; T40-L44 PolarHBondContact O-N 2.99Å; F41-L44 WeakPolarHBondContact O-CB 3.48Å; F41-L44 PolarHBondContact O-N 3.31Å; F41-L44 VanDerWaalsContact O-N 3.1Å; L44-R46 VanDerWaalsContact C-N 3.35Å; L44-R46 PolarHBondContact O-N 3.18Å; L44-K47 PolarHBondContact O-N 2.73Å; L44-L48 WeakPolarHBondContact O-CB 2.87Å; L44-L48 PolarHBondContact O-N 3.44Å; L44-L94 HydrophobicContact CB-CD2 4.38Å; L44-L94 HydrophobicContact CD1-CD2 4.16Å; L44-L98 HydrophobicContact CB-CD1 4.31Å; L44-L98 HydrophobicContact CD1-CD1 4.05Å; L44-L98 HydrophobicContact CD2-CD1 3.77Å; L44-L98 HydrophobicContact CD2-CD2 4.39Å; L44-L98 HydrophobicContact CG-CD1 4.26Å; L44-R125 HydrophobicContact CD2-CB 4.43Å; L44-Y128 HydrophobicContact CD1-CD1 3.77Å; L44-Y128 HydrophobicContact CD1-CD2 4.29Å; L44-Y128 HydrophobicContact CD1-CG 3.64Å
45I93.2Very high90.2Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-60.8-43.8179.8-65.5-60.1000111.1T4 L8 L21 L27 F41 C42 K47 L48 V49 Y124T4-I45 HydrophobicContact CG2-CG1 4.11Å; T4-I45 HydrophobicContact CG2-CG2 4.07Å; L8-I45 HydrophobicContact CD2-CD1 4.45Å; L21-I45 HydrophobicContact CD1-CG2 4.25Å; L27-I45 HydrophobicContact CD1-CG2 4.09Å; L27-I45 HydrophobicContact CD2-CB 4.06Å; L27-I45 HydrophobicContact CD2-CG2 3.95Å; F41-I45 HydrophobicContact CD1-CG1 4.47Å; F41-I45 HydrophobicContact CD2-CG1 4.28Å; F41-I45 HydrophobicContact CE1-CG1 4.01Å; F41-I45 HydrophobicContact CE2-CD1 3.84Å; F41-I45 HydrophobicContact CE2-CG1 3.81Å; F41-I45 HydrophobicContact CZ-CD1 3.92Å; F41-I45 HydrophobicContact CZ-CG1 3.65Å; F41-I45 WeakPolarHBondContact O-CG1 3.31Å; F41-I45 PolarHBondContact O-N 3.05Å; C42-I45 PolarHBondContact O-N 3.03Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.45Å; I45-L48 HydrophobicContact CD1-CD2 4.47Å; I45-L48 WeakPolarHBondContact O-CB 3.46Å; I45-L48 PolarHBondContact O-N 2.69Å; I45-V49 HydrophobicContact CG2-CG2 4.37Å; I45-V49 WeakPolarHBondContact O-CB 3.47Å; I45-V49 WeakPolarHBondContact O-CG2 3.45Å; I45-V49 PolarHBondContact O-N 2.9Å; I45-Y124 HydrophobicContact CD1-CD1 3.76Å; I45-Y124 HydrophobicContact CD1-CD2 4.27Å; I45-Y124 HydrophobicContact CD1-CE1 4.06Å; I45-Y124 HydrophobicContact CD1-CG 3.87Å
46R89.6Confident89.9Confident8 Ų817 Ų173%0.039%0.087CC..Hα-helixtrans-61.3-42.7174.9-70.3-177.675.8159.7-14.4112.5L27 Q28 P30 C42 T43 L44 L48 V49 N50 F83 P84 M85L27-R46 VanDerWaalsContact O-CD 3.22Å; L27-R46 WeakPolarHBondContact O-CD 3.4Å; L27-R46 PolarHBondContact O-NH1 2.95Å; Q28-R46 PolarHBondContact O-NH1 3.36Å; P30-R46 VanDerWaalsContact CD-NH1 3.27Å; P30-R46 HydrophobicContact CG-CG 4.47Å; C42-R46 PolarHBondContact O-N 3.35Å; C42-R46 VanDerWaalsContact O-N 3.16Å; T43-R46 PolarHBondContact O-N 2.87Å; L44-R46 VanDerWaalsContact C-N 3.35Å; L44-R46 PolarHBondContact O-N 3.18Å; R46-L48 VanDerWaalsContact C-N 3.33Å; R46-L48 PolarHBondContact O-N 3.39Å; R46-V49 PolarHBondContact O-N 3.02Å; R46-N50 PolarHBondContact O-N 2.89Å; R46-F83 PolarHBondContact NH2-O 3.49Å; R46-P84 PolarHBondContact NH2-O 3.01Å; R46-M85 HydrophobicContact CB-CE 3.38Å; R46-M85 HydrophobicContact CB-SD 4.31Å; R46-M85 HydrophobicContact CG-CE 4.15Å
47K90.7Very high89.6Confident22 Ų2218.9 Ų18.910%0.09610%0.095CC..Hα-helixtrans-62.8-41175.4-71-148.5-178.3-153.40112.4T43 L44 I45 V49 N50 L51 M85 M89 N91 L94 Y128T43-K47 WeakPolarHBondContact O-CG 3.5Å; T43-K47 PolarHBondContact O-N 2.88Å; T43-K47 VanDerWaalsContact O-N 3.1Å; L44-K47 PolarHBondContact O-N 2.73Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.45Å; K47-V49 VanDerWaalsContact C-N 3.35Å; K47-N50 PolarHBondContact O-N 3.47Å; K47-L51 VanDerWaalsContact O-CB 3.28Å; K47-L51 WeakPolarHBondContact O-CB 3.35Å; K47-L51 PolarHBondContact O-N 2.98Å; K47-M85 HydrophobicContact CG-SD 3.97Å; K47-M89 WeakPolarHBondContact CE-O 3.31Å; K47-M89 PolarHBondContact NZ-O 2.96Å; K47-N91 WeakPolarHBondContact CD-OD1 3.5Å; K47-N91 PolarHBondContact NZ-OD1 3.37Å; K47-L94 HydrophobicContact CD-CD2 3.67Å; K47-L94 HydrophobicContact CG-CD2 4.26Å; K47-Y128 HydrophobicContact CB-CD2 4.46Å; K47-Y128 HydrophobicContact CB-CE2 3.67Å; K47-Y128 WeakPolarHBondContact CD-OH 3.47Å
48L92.8Very high89.2Confident4 Ų422.7 Ų22.72%0.02111%0.11CC..Hα-helixtrans-60.8-44.6176.1176.964.5000111.4L8 L44 I45 R46 L51 V52 Y124 L127 Y128 L131L8-L48 HydrophobicContact CD2-CD2 4.25Å; L44-L48 WeakPolarHBondContact O-CB 2.87Å; L44-L48 PolarHBondContact O-N 3.44Å; I45-L48 HydrophobicContact CD1-CD2 4.47Å; I45-L48 WeakPolarHBondContact O-CB 3.46Å; I45-L48 PolarHBondContact O-N 2.69Å; R46-L48 VanDerWaalsContact C-N 3.33Å; R46-L48 PolarHBondContact O-N 3.39Å; L48-L51 PolarHBondContact O-N 2.62Å; L48-V52 HydrophobicContact CD1-CG2 4.37Å; L48-V52 WeakPolarHBondContact O-CB 3.43Å; L48-V52 WeakPolarHBondContact O-CG2 3.29Å; L48-V52 PolarHBondContact O-N 2.86Å; L48-Y124 HydrophobicContact CD2-CD1 3.95Å; L48-L127 HydrophobicContact CD1-CG 4.35Å; L48-L127 HydrophobicContact CD2-CD2 4.16Å; L48-Y128 HydrophobicContact CB-CD2 4.12Å; L48-Y128 HydrophobicContact CD1-CD2 4.26Å; L48-L131 HydrophobicContact CD1-CD1 3.62Å
49V90.1Very high88.7Confident1 Ų121.1 Ų21.11%0.00610%0.103CC..Hα-helixtrans-64.9-43.9178.8168.20000111.3L8 W11 L21 I45 R46 K47 L51 V52 S53 L80L8-V49 HydrophobicContact CD1-CG2 3.74Å; W11-V49 HydrophobicContact CE3-CG2 4.35Å; W11-V49 HydrophobicContact CH2-CB 4.16Å; W11-V49 HydrophobicContact CH2-CG1 3.73Å; W11-V49 HydrophobicContact CH2-CG2 4.29Å; W11-V49 HydrophobicContact CZ2-CG1 3.8Å; W11-V49 HydrophobicContact CZ3-CB 4.34Å; W11-V49 HydrophobicContact CZ3-CG1 4.24Å; W11-V49 HydrophobicContact CZ3-CG2 3.98Å; L21-V49 HydrophobicContact CD2-CB 4.15Å; L21-V49 HydrophobicContact CD2-CG1 3.78Å; L21-V49 HydrophobicContact CD2-CG2 3.43Å; L21-V49 VanDerWaalsContact CD2-CG2 3.43Å; I45-V49 HydrophobicContact CG2-CG2 4.37Å; I45-V49 WeakPolarHBondContact O-CB 3.47Å; I45-V49 WeakPolarHBondContact O-CG2 3.45Å; I45-V49 PolarHBondContact O-N 2.9Å; R46-V49 PolarHBondContact O-N 3.02Å; K47-V49 VanDerWaalsContact C-N 3.35Å; V49-L51 VanDerWaalsContact C-N 3.33Å; V49-L51 PolarHBondContact O-N 3.35Å; V49-V52 PolarHBondContact O-N 3.05Å; V49-S53 WeakPolarHBondContact O-CB 2.88Å; V49-S53 PolarHBondContact O-N 3.18Å; V49-S53 PolarHBondContact O-OG 3.16Å; V49-L80 HydrophobicContact CG1-CD1 3.86Å; V49-L80 HydrophobicContact CG1-CD2 3.51Å; V49-L80 HydrophobicContact CG1-CG 4.32Å
50N87Confident88.1Confident57 Ų5721.7 Ų21.731%0.30511%0.111SC..Hα-helixtrans-61.8-41.1173.5-73.5-13000112R46 K47 S53 S54 M85R46-N50 PolarHBondContact O-N 2.89Å; K47-N50 PolarHBondContact O-N 3.47Å; N50-S53 PolarHBondContact O-N 3.21Å; N50-S54 WeakPolarHBondContact O-CB 3.49Å; N50-S54 PolarHBondContact O-N 3.14Å; N50-M85 VanDerWaalsContact ND2-CG 3.35Å; N50-M85 WeakPolarHBondContact ND2-CG 3.32Å
51L89.3Confident87.3Confident16 Ų1621.7 Ų21.78%0.08411%0.111CC..Hα-helixtrans-65.3-46.8177.6177.261.3000112K47 L48 V49 S53 S54 I55 Y128 L131 L132 T135K47-L51 VanDerWaalsContact O-CB 3.28Å; K47-L51 WeakPolarHBondContact O-CB 3.35Å; K47-L51 PolarHBondContact O-N 2.98Å; L48-L51 PolarHBondContact O-N 2.62Å; V49-L51 VanDerWaalsContact C-N 3.33Å; V49-L51 PolarHBondContact O-N 3.35Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.43Å; L51-S54 WeakPolarHBondContact O-CB 3.38Å; L51-S54 PolarHBondContact O-N 2.95Å; L51-I55 HydrophobicContact CD1-CD1 4.34Å; L51-I55 HydrophobicContact CG-CD1 4.14Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.4Å; L51-I55 PolarHBondContact O-N 3.41Å; L51-Y128 HydrophobicContact CB-CE2 4.21Å; L51-Y128 HydrophobicContact CD2-CD2 3.79Å; L51-Y128 HydrophobicContact CD2-CE2 3.71Å; L51-L131 HydrophobicContact CD2-CB 3.66Å; L51-L131 HydrophobicContact CG-CB 4.35Å; L51-L132 HydrophobicContact CD1-CD1 4.41Å; L51-L132 HydrophobicContact CD2-CB 4.11Å; L51-T135 HydrophobicContact CD1-CG2 4Å
52V90.3Very high86.2Confident3 Ų324.4 Ų24.42%0.01812%0.122CC..Hα-helixtrans-58.3-42.9175.41640000110.7W11 L12 L48 V49 I55 V56 M76 L131 L263W11-V52 HydrophobicContact CH2-CB 3.79Å; W11-V52 HydrophobicContact CH2-CG1 3.44Å; W11-V52 VanDerWaalsContact CH2-CG1 3.44Å; W11-V52 HydrophobicContact CZ2-CG1 4.47Å; W11-V52 HydrophobicContact CZ3-CB 4.1Å; W11-V52 HydrophobicContact CZ3-CG1 3.74Å; L12-V52 HydrophobicContact CD2-CG1 4.16Å; L48-V52 HydrophobicContact CD1-CG2 4.37Å; L48-V52 WeakPolarHBondContact O-CB 3.43Å; L48-V52 WeakPolarHBondContact O-CG2 3.29Å; L48-V52 PolarHBondContact O-N 2.86Å; V49-V52 PolarHBondContact O-N 3.05Å; V52-I55 WeakPolarHBondContact O-CB 3.28Å; V52-I55 PolarHBondContact O-N 2.93Å; V52-V56 WeakPolarHBondContact O-CG2 3.35Å; V52-V56 PolarHBondContact O-N 3.22Å; V52-M76 HydrophobicContact CG1-SD 4.33Å; V52-L131 HydrophobicContact CG2-CD1 3.98Å; V52-L263 HydrophobicContact CB-CD1 4.49Å; V52-L263 HydrophobicContact CG1-CD1 4.13Å; V52-L263 HydrophobicContact CG1-CD2 4.37Å; V52-L263 HydrophobicContact CG2-CD1 4.15Å; V52-L263 HydrophobicContact CG2-CD2 3.87Å
53S86Confident84.9Confident5 Ų526.8 Ų26.84%0.03513%0.133CC..Hα-helixtrans-67.8-41179.5-56.20000111.9V49 N50 L51 I55 V56 Q57 M76 L80V49-S53 WeakPolarHBondContact O-CB 2.88Å; V49-S53 PolarHBondContact O-N 3.18Å; V49-S53 PolarHBondContact O-OG 3.16Å; N50-S53 PolarHBondContact O-N 3.21Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.43Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 2.68Å; S53-V56 PolarHBondContact O-N 2.97Å; S53-Q57 WeakPolarHBondContact O-CB 3.11Å; S53-Q57 VanDerWaalsContact O-CG 3.3Å; S53-Q57 WeakPolarHBondContact O-CG 3.49Å; S53-Q57 PolarHBondContact O-N 3.16Å; S53-M76 PolarHBondContact OG-O 3.49Å; S53-L80 VanDerWaalsContact CB-CD1 3.49Å; S53-L80 WeakPolarHBondContact OG-CD1 3.35Å
54S84Confident83.3Confident47 Ų4730.8 Ų30.833%0.32915%0.15SC..Hα-helixtrans-59.4-41.5171.2-174.50000111.7N50 L51 R58N50-S54 WeakPolarHBondContact O-CB 3.49Å; N50-S54 PolarHBondContact O-N 3.14Å; L51-S54 WeakPolarHBondContact O-CB 3.38Å; L51-S54 PolarHBondContact O-N 2.95Å; S54-R58 VanDerWaalsContact O-CB 3.26Å; S54-R58 WeakPolarHBondContact O-CB 3.2Å; S54-R58 WeakPolarHBondContact O-CG 3.22Å; S54-R58 PolarHBondContact O-N 3.32Å
55I87.3Confident80.9Confident1 Ų134 Ų341%0.00517%0.172CC..Hα-helixtrans-60-50.9175.2-74.2163.6000110.9L51 V52 S53 R58 A59 L131 T135 L263 V267 L270L51-I55 HydrophobicContact CD1-CD1 4.34Å; L51-I55 HydrophobicContact CG-CD1 4.14Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.4Å; L51-I55 PolarHBondContact O-N 3.41Å; V52-I55 WeakPolarHBondContact O-CB 3.28Å; V52-I55 PolarHBondContact O-N 2.93Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 2.68Å; I55-R58 PolarHBondContact O-N 3.47Å; I55-A59 VanDerWaalsContact O-CB 3.25Å; I55-A59 WeakPolarHBondContact O-CB 3.44Å; I55-A59 PolarHBondContact O-N 3.24Å; I55-L131 HydrophobicContact CD1-CB 4.24Å; I55-L131 HydrophobicContact CD1-CD2 4.2Å; I55-T135 HydrophobicContact CD1-CG2 3.68Å; I55-T135 HydrophobicContact CG1-CG2 3.3Å; I55-L263 HydrophobicContact CB-CD1 4.45Å; I55-L263 HydrophobicContact CD1-CD1 4.29Å; I55-L263 HydrophobicContact CG2-CD1 3.9Å; I55-V267 HydrophobicContact CD1-CG2 4.43Å; I55-V267 HydrophobicContact CG2-CG2 3.91Å; I55-L270 HydrophobicContact CB-CD1 4.25Å; I55-L270 HydrophobicContact CG1-CD1 4.32Å; I55-L270 HydrophobicContact CG2-CD1 3.91Å
56V85.1Confident78.3Confident0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-62.5-45.2-178.7173.50000111V52 S53 A59 N60 I61 M76 T77 L262V52-V56 WeakPolarHBondContact O-CG2 3.35Å; V52-V56 PolarHBondContact O-N 3.22Å; S53-V56 PolarHBondContact O-N 2.97Å; V56-A59 PolarHBondContact O-N 3.14Å; V56-N60 PolarHBondContact O-N 3.28Å; V56-I61 WeakPolarHBondContact CG1-O 3.45Å; V56-M76 HydrophobicContact CG2-SD 4.32Å; V56-T77 HydrophobicContact CB-CG2 4.33Å; V56-T77 HydrophobicContact CG1-CG2 4.26Å; V56-L262 HydrophobicContact CG1-CD2 3.94Å; V56-L262 HydrophobicContact CG1-CG 4.25Å; V56-L262 HydrophobicContact CG2-CD2 4.37Å; V56-L262 HydrophobicContact CG2-CG 4.2Å
57Q81.9Confident76.2Confident97 Ų9746.6 Ų46.645%0.45324%0.24SC..Hα-helixtrans-61.7-47.6176.6-73.1173.5-6.400112S53 A59 N60 T77S53-Q57 WeakPolarHBondContact O-CB 3.11Å; S53-Q57 VanDerWaalsContact O-CG 3.3Å; S53-Q57 WeakPolarHBondContact O-CG 3.49Å; S53-Q57 PolarHBondContact O-N 3.16Å; Q57-A59 VanDerWaalsContact C-N 3.32Å; Q57-A59 PolarHBondContact O-N 3.38Å; Q57-N60 PolarHBondContact O-N 3.5Å; Q57-N60 VanDerWaalsContact O-N 3.08Å; Q57-T77 HydrophobicContact CG-CG2 3.53Å
58R80.2Confident73.9Confident80 Ų8052.8 Ų52.830%0.30227%0.269SS..Hα-helixtrans-64.6-36.4178.3-73.417559.5-174.5-3.6112.2S54 I55 N60 T135 L270 P274S54-R58 VanDerWaalsContact O-CB 3.26Å; S54-R58 WeakPolarHBondContact O-CB 3.2Å; S54-R58 WeakPolarHBondContact O-CG 3.22Å; S54-R58 PolarHBondContact O-N 3.32Å; I55-R58 PolarHBondContact O-N 3.47Å; R58-N60 PolarHBondContact O-N 3.21Å; R58-T135 PolarHBondContact NH1-O 3.06Å; R58-T135 VanDerWaalsContact NH1-O 3.09Å; R58-L270 HydrophobicContact CB-CD1 4.14Å; R58-L270 HydrophobicContact CB-CD2 3.85Å; R58-P274 PolarHBondContact NH2-O 3.3Å
59A81.5Confident71.1Confident8 Ų859 Ų597%0.06630%0.298CS..Hα-helixtrans-69.7-21.2175.900000112.2I55 V56 Q57 I61 Q269 L270I55-A59 VanDerWaalsContact O-CB 3.25Å; I55-A59 WeakPolarHBondContact O-CB 3.44Å; I55-A59 PolarHBondContact O-N 3.24Å; V56-A59 PolarHBondContact O-N 3.14Å; Q57-A59 VanDerWaalsContact C-N 3.32Å; Q57-A59 PolarHBondContact O-N 3.38Å; A59-I61 VanDerWaalsContact C-N 3.29Å; A59-I61 HydrophobicContact CB-CD1 4.07Å; A59-I61 HydrophobicContact CB-CG1 3.95Å; A59-I61 PolarHBondContact O-N 3.29Å; A59-Q269 HydrophobicContact CB-CB 4.41Å; A59-L270 HydrophobicContact CB-CD2 4.31Å; A59-L270 HydrophobicContact CB-CG 4.01Å
60N78.4Confident68.6Low86 Ų8667 Ų6746%0.4634%0.335SS..THydrogen-bonded Turntrans56.342.2-177-164.245.2000112.3V56 Q57 R58 Y62V56-N60 PolarHBondContact O-N 3.28Å; Q57-N60 PolarHBondContact O-N 3.5Å; Q57-N60 VanDerWaalsContact O-N 3.08Å; R58-N60 PolarHBondContact O-N 3.21Å; N60-Y62 WeakPolarHBondContact OD1-CE2 3.27Å; N60-Y62 PolarHBondContact OD1-OH 3.21Å
61I75.4Confident66.4Low1 Ų172.3 Ų72.31%0.00536%0.356CS..  trans-111.6129177-53177.5000108.3V56 A59 L262 R265 Q269 G337 L338V56-I61 WeakPolarHBondContact CG1-O 3.45Å; A59-I61 VanDerWaalsContact C-N 3.29Å; A59-I61 HydrophobicContact CB-CD1 4.07Å; A59-I61 HydrophobicContact CB-CG1 3.95Å; A59-I61 PolarHBondContact O-N 3.29Å; I61-L262 HydrophobicContact CB-CD1 4.02Å; I61-L262 HydrophobicContact CG2-CD1 3.48Å; I61-L262 VanDerWaalsContact CG2-CD1 3.48Å; I61-R265 HydrophobicContact CD1-CB 4.3Å; I61-Q269 HydrophobicContact CD1-CB 3.92Å; I61-Q269 HydrophobicContact CD1-CG 3.43Å; I61-Q269 VanDerWaalsContact CD1-CG 3.43Å; I61-Q269 HydrophobicContact CG1-CG 4.25Å; I61-G337 WeakPolarHBondContact CG2-O 3.43Å; I61-L338 HydrophobicContact CG2-CD2 4.43Å
62Y69.8Low64.1Low56 Ų5675.6 Ų75.622%0.2237%0.372CS..  trans-127142.8179.1-51-78.5000109.9N60N60-Y62 WeakPolarHBondContact OD1-CE2 3.27Å; N60-Y62 PolarHBondContact OD1-OH 3.21Å
63E66.2Low62.1Low51 Ų5179.7 Ų79.724%0.23839%0.393CS..PPolyproline II helixtrans-85.6156.2165.1-72-178.7168.500109.7L262 R265E63-L262 HydrophobicContact CG-CB 4.44Å; E63-L262 HydrophobicContact CG-CD1 4.18Å; E63-L262 HydrophobicContact CG-CD2 4.17Å; E63-L262 HydrophobicContact CG-CG 4.49Å; E63-R265 IonicContact OE1-NH2 3.01Å; E63-R265 PolarHBondContact OE1-NH2 2.71Å
64E57.4Low60.5Low104 Ų10479.5 Ų79.549%0.48639%0.391SS..PPolyproline II helixtrans-82.2129.4174.7-69.5169.6175.600108.7S341 R342E64-S341 WeakPolarHBondContact OE2-CB 3.49Å; E64-S341 PolarHBondContact OE2-OG 3.23Å; E64-R342 HydrophobicContact CG-CG 4.38Å; E64-R342 VanDerWaalsContact OE1-CG 3.29Å; E64-R342 WeakPolarHBondContact OE1-CG 3.35Å; E64-R342 IonicContact OE1-NE 3Å
65S43.9Very low59Low66 Ų6679.3 Ų79.346%0.46239%0.389SS..PPolyproline II helixtrans-89.5149.3154.355.90000108.3E67S65-E67 PolarHBondContact O-N 3.24Å
66S37.9Very low57.6Low77 Ų7779.3 Ų79.354%0.53839%0.389SS..SBendtrans-34.6112.2-173.3530000115.5E68S66-E68 PolarHBondContact O-N 3Å
67E45.1Very low56.2Low197 Ų19779.8 Ų79.892%0.92139%0.392SS*.SBendtrans50.3-21.7150.1-64.4-172.2161.600124.3S65S65-E67 PolarHBondContact O-N 3.24Å
68E41.7Very low54.8Low151 Ų15178.6 Ų78.671%0.70639%0.391SS*.SBendtrans-132.6-1.4-167.9-71.2-167.2162.600120S66S66-E68 PolarHBondContact O-N 3Å
69H35.4Very low53.6Low135 Ų13576 Ų7663%0.62538%0.383SS*.  trans-125.2121.1-177.7-69.671.1000114.2F71H69-F71 PolarHBondContact O-N 3.2Å
70H37.6Very low52.5Low168 Ų16876.6 Ų76.678%0.77838%0.384SS*.THydrogen-bonded Turntrans-30.1117.2164.6-83.4-52.3000112.9M72H70-M72 PolarHBondContact O-N 3.25Å; H70-M72 VanDerWaalsContact O-N 3.16Å
71F40.8Very low51.3Low169 Ų16976 Ų7674%0.74140%0.399SS*.THydrogen-bonded Turntrans47.948.8156.7-47.8-75.8000116.1H69 I73H69-F71 PolarHBondContact O-N 3.2Å; F71-I73 PolarHBondContact O-N 2.76Å
72M40.1Very low50.3Low86 Ų8679.6 Ų79.642%0.42442%0.424SS..PPolyproline II helixtrans-71.8124166.3-69-16078.200110.2H70H70-M72 PolarHBondContact O-N 3.25Å; H70-M72 VanDerWaalsContact O-N 3.16Å
73I47.7Very low49.8Very low88 Ų8878.7 Ų78.745%0.45142%0.421SS..PPolyproline II helixtrans-48.2138.6164.4-69.6170.1000107.4F71 T77 V78F71-I73 PolarHBondContact O-N 2.76Å; I73-T77 VanDerWaalsContact CG2-CB 3.43Å; I73-T77 WeakPolarHBondContact CG2-OG1 3.45Å; I73-V78 HydrophobicContact CB-CG2 3.65Å; I73-V78 HydrophobicContact CG2-CG2 3.67Å; I73-V78 WeakPolarHBondContact O-CG2 3.49Å
74S52.6Low49.3Very low1 Ų179.3 Ų79.31%0.00743%0.429CS..PPolyproline II helixtrans-49.4145.1-177.9169.20000110.6M76 T77 V78S74-M76 PolarHBondContact O-N 3.26Å; S74-M76 PolarHBondContact OG-N 2.89Å; S74-T77 PolarHBondContact N-OG1 2.9Å; S74-T77 WeakPolarHBondContact O-CA 3.45Å; S74-T77 PolarHBondContact O-N 3.46Å; S74-T77 PolarHBondContact O-OG1 3.38Å; S74-V78 PolarHBondContact O-N 3.37Å
75P53.2Low49.4Very low44 Ų4476 Ų7629%0.28642%0.415SS..Hα-helixtrans-51.6-27.6172.3-2532.8000112.7T77P75-T77 PolarHBondContact O-N 2.98Å; P75-T77 VanDerWaalsContact O-N 3.15Å
76M57.3Low49.9Very low1 Ų178.5 Ų78.51%0.00542%0.419CS..Hα-helixtrans-58.8-25.2173-68.1-169.5-151.600113.8W11 L12 V52 S53 V56 S74 L80 L262W11-M76 HydrophobicContact CD2-CG 4.49Å; W11-M76 HydrophobicContact CZ2-CB 3.72Å; W11-M76 HydrophobicContact CZ2-CG 3.91Å; W11-M76 WeakPolarHBondContact CZ2-O 3.49Å; W11-M76 HydrophobicContact CZ2-SD 4.5Å; L12-M76 WeakPolarHBondContact O-CE 3.46Å; V52-M76 HydrophobicContact CG1-SD 4.33Å; S53-M76 PolarHBondContact OG-O 3.49Å; V56-M76 HydrophobicContact CG2-SD 4.32Å; S74-M76 PolarHBondContact O-N 3.26Å; S74-M76 PolarHBondContact OG-N 2.89Å; M76-L80 VanDerWaalsContact O-CD1 3.29Å; M76-L80 WeakPolarHBondContact O-CD1 3.45Å; M76-L262 HydrophobicContact CE-CB 3.88Å; M76-L262 HydrophobicContact CE-CD2 3.76Å; M76-L262 HydrophobicContact CE-CG 4.29Å; M76-L262 HydrophobicContact SD-CD2 4.06Å
77T56.3Low50.9Low10 Ų1081.4 Ų81.46%0.06143%0.428CS..Hα-helixtrans-118.3-21.5-16539.80000114.2V56 Q57 I73 S74 P75V56-T77 HydrophobicContact CB-CG2 4.33Å; V56-T77 HydrophobicContact CG1-CG2 4.26Å; Q57-T77 HydrophobicContact CG-CG2 3.53Å; I73-T77 VanDerWaalsContact CG2-CB 3.43Å; I73-T77 WeakPolarHBondContact CG2-OG1 3.45Å; S74-T77 PolarHBondContact N-OG1 2.9Å; S74-T77 WeakPolarHBondContact O-CA 3.45Å; S74-T77 PolarHBondContact O-N 3.46Å; S74-T77 PolarHBondContact O-OG1 3.38Å; P75-T77 PolarHBondContact O-N 2.98Å; P75-T77 VanDerWaalsContact O-N 3.15Å
78V52.6Low52Low71 Ų7178.9 Ų78.943%0.4342%0.417SS..Hα-helixtrans-72.1-42.1-177.3175.80000112.3I73 S74I73-V78 HydrophobicContact CB-CG2 3.65Å; I73-V78 HydrophobicContact CG2-CG2 3.67Å; I73-V78 WeakPolarHBondContact O-CG2 3.49Å; S74-V78 PolarHBondContact O-N 3.37Å
79E55.1Low53.8Low27 Ų2773.8 Ų73.813%0.12639%0.393CS..THydrogen-bonded Turntrans-95.52.3-162.1-63.8178.8166.700114.5A17 L18 S82A17-E79 WeakPolarHBondContact CA-OE2 3.45Å; A17-E79 HydrophobicContact CB-CB 4.18Å; A17-E79 PolarHBondContact N-OE2 2.92Å; L18-E79 WeakPolarHBondContact CB-OE2 3.39Å; L18-E79 HydrophobicContact CD1-CB 4.28Å; L18-E79 HydrophobicContact CD1-CG 4.1Å; L18-E79 HydrophobicContact CG-CB 4.17Å; L18-E79 HydrophobicContact CG-CG 4.33Å; L18-E79 PolarHBondContact N-OE2 3.18Å; E79-S82 PolarHBondContact O-OG 2.77Å
80L57.4Low56.3Low20 Ų2071 Ų7111%0.10539%0.387CS..THydrogen-bonded Turntrans-85.6-18.6-175.8-72.1167.4000113.9F22 V49 S53 M76 S82 F83F22-L80 HydrophobicContact CE2-CD2 3.75Å; F22-L80 HydrophobicContact CZ-CD2 4Å; V49-L80 HydrophobicContact CG1-CD1 3.86Å; V49-L80 HydrophobicContact CG1-CD2 3.51Å; V49-L80 HydrophobicContact CG1-CG 4.32Å; S53-L80 VanDerWaalsContact CB-CD1 3.49Å; S53-L80 WeakPolarHBondContact OG-CD1 3.35Å; M76-L80 VanDerWaalsContact O-CD1 3.29Å; M76-L80 WeakPolarHBondContact O-CD1 3.45Å; L80-S82 PolarHBondContact O-N 2.96Å; L80-F83 PolarHBondContact O-N 2.7Å; L80-F83 VanDerWaalsContact O-N 3.09Å
81G54.9Low58.7Low74 Ų7465.5 Ų65.576%0.76336%0.364SS*.THydrogen-bonded Turntrans-60.4-26.5176.400000113.4F83G81-F83 VanDerWaalsContact C-N 3.29Å; G81-F83 PolarHBondContact O-N 3.3Å
82S53.1Low61Low76 Ų7661.8 Ų61.853%0.53136%0.359SS..THydrogen-bonded Turntrans-78.4-6.2177.7520000114.4E79 L80 P84E79-S82 PolarHBondContact O-OG 2.77Å; L80-S82 PolarHBondContact O-N 2.96Å; S82-P84 WeakPolarHBondContact O-CD 3.44Å
83F58.7Low63.5Low36 Ų3663.6 Ų63.616%0.15836%0.364CS..SBendtrans-121.563-178.9-61.9-79.8000112.9L18 F22 R46 L80 G81 M85L18-F83 HydrophobicContact CD2-CE2 3.41Å; L18-F83 VanDerWaalsContact CD2-CE2 3.41Å; L18-F83 HydrophobicContact CD2-CZ 3.44Å; L18-F83 VanDerWaalsContact CD2-CZ 3.44Å; L18-F83 HydrophobicContact CG-CE2 4.38Å; F22-F83 HydrophobicContact CB-CE1 4.46Å; F22-F83 HydrophobicContact CB-CE2 4.27Å; F22-F83 HydrophobicContact CB-CZ 3.87Å; F22-F83 AromaticContact CD1-CD1 4Å; F22-F83 HydrophobicContact CD1-CD1 4Å; F22-F83 HydrophobicContact CD1-CD2 4.27Å; F22-F83 AromaticContact CD1-CE1 3.81Å; F22-F83 HydrophobicContact CD1-CE1 3.81Å; F22-F83 HydrophobicContact CD1-CE2 4.09Å; F22-F83 HydrophobicContact CD1-CG 4.21Å; F22-F83 AromaticContact CD1-CZ 3.85Å; F22-F83 HydrophobicContact CD1-CZ 3.85Å; F22-F83 AromaticContact CD2-CD2 3.72Å; F22-F83 HydrophobicContact CD2-CD2 3.72Å; F22-F83 AromaticContact CD2-CE2 3.34Å; F22-F83 HydrophobicContact CD2-CE2 3.34Å; F22-F83 HydrophobicContact CD2-CG 4.44Å; F22-F83 AromaticContact CD2-CZ 3.8Å; F22-F83 HydrophobicContact CD2-CZ 3.8Å; F22-F83 HydrophobicContact CE1-CB 4.2Å; F22-F83 AromaticContact CE1-CD1 3.81Å; F22-F83 HydrophobicContact CE1-CD1 3.81Å; F22-F83 AromaticContact CE1-CD2 3.95Å; F22-F83 HydrophobicContact CE1-CD2 3.95Å; F22-F83 HydrophobicContact CE1-CE1 4.12Å; F22-F83 HydrophobicContact CE1-CE2 4.24Å; F22-F83 AromaticContact CE1-CG 3.71Å; F22-F83 HydrophobicContact CE1-CG 3.71Å; F22-F83 HydrophobicContact CE1-CZ 4.32Å; F22-F83 AromaticContact CE2-CD2 3.36Å; F22-F83 HydrophobicContact CE2-CD2 3.36Å; F22-F83 AromaticContact CE2-CE2 3.53Å; F22-F83 HydrophobicContact CE2-CE2 3.53Å; F22-F83 AromaticContact CE2-CG 3.97Å; F22-F83 HydrophobicContact CE2-CG 3.97Å; F22-F83 HydrophobicContact CE2-CZ 4.27Å; F22-F83 HydrophobicContact CG-CD2 4.16Å; F22-F83 HydrophobicContact CG-CE1 4.03Å; F22-F83 AromaticContact CG-CE2 3.64Å; F22-F83 HydrophobicContact CG-CE2 3.64Å; F22-F83 AromaticContact CG-CZ 3.57Å; F22-F83 HydrophobicContact CG-CZ 3.57Å; F22-F83 HydrophobicContact CZ-CB 3.89Å; F22-F83 HydrophobicContact CZ-CD1 4.17Å; F22-F83 AromaticContact CZ-CD2 3.48Å; F22-F83 HydrophobicContact CZ-CD2 3.48Å; F22-F83 VanDerWaalsContact CZ-CD2 3.48Å; F22-F83 AromaticContact CZ-CE2 3.98Å; F22-F83 HydrophobicContact CZ-CE2 3.98Å; F22-F83 AromaticContact CZ-CG 3.58Å; F22-F83 HydrophobicContact CZ-CG 3.58Å; R46-F83 PolarHBondContact NH2-O 3.49Å; L80-F83 PolarHBondContact O-N 2.7Å; L80-F83 VanDerWaalsContact O-N 3.09Å; G81-F83 VanDerWaalsContact C-N 3.29Å; G81-F83 PolarHBondContact O-N 3.3Å; F83-M85 PolarHBondContact O-N 2.69Å
84P57.5Low65.6Low64 Ų6459.4 Ų59.442%0.41634%0.343SS..  trans-53.3137.2177.723-33.1000111.3R46 S82 H86R46-P84 PolarHBondContact NH2-O 3.01Å; S82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-H86 WeakPolarHBondContact CG-NE2 3.33Å; P84-H86 PolarHBondContact O-N 2.99Å
85M58.9Low67.6Low35 Ų3561.1 Ų61.117%0.17235%0.351CS..  trans-75.879.5172.1-64.5-124.784.200108.9R46 K47 N50 F83 N87 E88R46-M85 HydrophobicContact CB-CE 3.38Å; R46-M85 HydrophobicContact CB-SD 4.31Å; R46-M85 HydrophobicContact CG-CE 4.15Å; K47-M85 HydrophobicContact CG-SD 3.97Å; N50-M85 VanDerWaalsContact ND2-CG 3.35Å; N50-M85 WeakPolarHBondContact ND2-CG 3.32Å; F83-M85 PolarHBondContact O-N 2.69Å; M85-N87 PolarHBondContact O-N 2.99Å; M85-E88 HydrophobicContact CB-CG 3.79Å; M85-E88 WeakPolarHBondContact O-CG 3.37Å
86H54.5Low69.6Low118 Ų11861.9 Ų61.955%0.54636%0.358SS..THydrogen-bonded Turntrans-63.2134.9167.5-65.5-56.1000109.3W31 P84W31-H86 HydrophobicContact CH2-CB 4.38Å; P84-H86 WeakPolarHBondContact CG-NE2 3.33Å; P84-H86 PolarHBondContact O-N 2.99Å
87N58.5Low71.3Confident139 Ų13962.7 Ų62.774%0.74336%0.364SS*.THydrogen-bonded Turntrans61.859.9-177.3-59.5-30.9000114.8M85 M89M85-N87 PolarHBondContact O-N 2.99Å; N87-M89 PolarHBondContact O-N 3.43Å
88E67.3Low73.1Confident144 Ų14462.2 Ų62.267%0.67336%0.361SS*.  trans-57.9102.8175.8-67.8-16516500112.2M85 P90M85-E88 HydrophobicContact CB-CG 3.79Å; M85-E88 WeakPolarHBondContact O-CG 3.37Å; E88-P90 WeakPolarHBondContact O-CD 3.37Å
89M80.8Confident75Confident43 Ų4362.5 Ų62.521%0.21236%0.357CS..  trans-64.4127.1166.4-175.9-178.7-62.100108.5K47 N87 K93 L94K47-M89 WeakPolarHBondContact CE-O 3.31Å; K47-M89 PolarHBondContact NZ-O 2.96Å; N87-M89 PolarHBondContact O-N 3.43Å; M89-K93 HydrophobicContact CG-CB 3.8Å; M89-K93 HydrophobicContact CG-CD 3.95Å; M89-K93 HydrophobicContact CG-CG 3.83Å; M89-K93 HydrophobicContact SD-CB 4.24Å; M89-K93 HydrophobicContact SD-CD 4.4Å; M89-K93 HydrophobicContact SD-CG 3.9Å; M89-L94 HydrophobicContact CG-CB 4.38Å; M89-L94 VanDerWaalsContact SD-CA 3.54Å; M89-L94 HydrophobicContact SD-CB 3.96Å; M89-L94 HydrophobicContact SD-CD1 4.21Å
90P86.7Confident76.9Confident78 Ų7863.9 Ų63.951%0.50637%0.373SS..  trans-54.3146.2175.9-26.634.3000112.1E88 S92 K93 L94E88-P90 WeakPolarHBondContact O-CD 3.37Å; P90-S92 VanDerWaalsContact C-N 3.25Å; P90-S92 PolarHBondContact O-N 3.43Å; P90-K93 HydrophobicContact CB-CB 4.47Å; P90-K93 PolarHBondContact O-N 3.46Å; P90-L94 PolarHBondContact O-N 3.35Å
91N88.6Confident78.6Confident52 Ų5263.6 Ų63.628%0.27837%0.372SS..Hα-helixtrans-55.2-40.6-178.5-75.2-15.8000112.3K47 K93 L94 L95 Y128K47-N91 WeakPolarHBondContact CD-OD1 3.5Å; K47-N91 PolarHBondContact NZ-OD1 3.37Å; N91-K93 PolarHBondContact O-N 3.49Å; N91-L94 PolarHBondContact O-N 2.93Å; N91-L95 WeakPolarHBondContact O-CB 3.31Å; N91-L95 VanDerWaalsContact O-CG 3.28Å; N91-L95 WeakPolarHBondContact O-CG 3.5Å; N91-L95 PolarHBondContact O-N 3.24Å; N91-Y128 PolarHBondContact ND2-OH 3.23Å; N91-Y128 PolarHBondContact OD1-OH 3.44Å
92S89.7Confident80.4Confident91 Ų9160.9 Ų60.964%0.63634%0.34SS*.Hα-helixtrans-59.8-43.7176.3550000112.9P90 S96P90-S92 VanDerWaalsContact C-N 3.25Å; P90-S92 PolarHBondContact O-N 3.43Å; S92-S96 WeakPolarHBondContact O-CB 3.24Å; S92-S96 PolarHBondContact O-N 2.95Å; S92-S96 PolarHBondContact O-OG 3.4Å
93K92.2Very high82.3Confident124 Ų12464.1 Ų64.154%0.53934%0.344SS..Hα-helixtrans-68.9-36.9177.7-173174.1176.8-179.80112M89 P90 N91 S96 S97M89-K93 HydrophobicContact CG-CB 3.8Å; M89-K93 HydrophobicContact CG-CD 3.95Å; M89-K93 HydrophobicContact CG-CG 3.83Å; M89-K93 HydrophobicContact SD-CB 4.24Å; M89-K93 HydrophobicContact SD-CD 4.4Å; M89-K93 HydrophobicContact SD-CG 3.9Å; P90-K93 HydrophobicContact CB-CB 4.47Å; P90-K93 PolarHBondContact O-N 3.46Å; N91-K93 PolarHBondContact O-N 3.49Å; K93-S96 WeakPolarHBondContact CA-OG 3.36Å; K93-S96 PolarHBondContact O-OG 2.83Å; K93-S96 VanDerWaalsContact O-OG 3.07Å; K93-S97 VanDerWaalsContact O-CB 3.24Å; K93-S97 WeakPolarHBondContact O-CB 3.2Å; K93-S97 PolarHBondContact O-N 3.45Å; K93-S97 PolarHBondContact O-OG 3.05Å
94L91.9Very high83.8Confident0 Ų069.1 Ų69.10%036%0.362CS..Hα-helixtrans-65-50.8175.5178.666.3000111.4T40 T43 L44 K47 M89 P90 N91 S97 L98T40-L94 HydrophobicContact CG2-CD1 3.58Å; T43-L94 HydrophobicContact CG2-CD1 3.96Å; L44-L94 HydrophobicContact CB-CD2 4.38Å; L44-L94 HydrophobicContact CD1-CD2 4.16Å; K47-L94 HydrophobicContact CD-CD2 3.67Å; K47-L94 HydrophobicContact CG-CD2 4.26Å; M89-L94 HydrophobicContact CG-CB 4.38Å; M89-L94 VanDerWaalsContact SD-CA 3.54Å; M89-L94 HydrophobicContact SD-CB 3.96Å; M89-L94 HydrophobicContact SD-CD1 4.21Å; P90-L94 PolarHBondContact O-N 3.35Å; N91-L94 PolarHBondContact O-N 2.93Å; L94-S97 WeakPolarHBondContact O-CB 3.48Å; L94-S97 PolarHBondContact O-N 3.44Å; L94-L98 HydrophobicContact CG-CD1 4.27Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 2.99Å
95L94.4Very high85.3Confident36 Ų3668.1 Ų68.119%0.18835%0.353CS..Hα-helixtrans-63.2-45.8-178.3-67.9174.9000111.8N91 S97 L98 E99 R125 Y128 V129N91-L95 WeakPolarHBondContact O-CB 3.31Å; N91-L95 VanDerWaalsContact O-CG 3.28Å; N91-L95 WeakPolarHBondContact O-CG 3.5Å; N91-L95 PolarHBondContact O-N 3.24Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.16Å; L95-L98 HydrophobicContact CD2-CD1 4.43Å; L95-L98 WeakPolarHBondContact O-CB 3.24Å; L95-L98 PolarHBondContact O-N 3.42Å; L95-E99 WeakPolarHBondContact O-CG 3.47Å; L95-E99 PolarHBondContact O-N 3.44Å; L95-R125 HydrophobicContact CD2-CG 3.78Å; L95-Y128 HydrophobicContact CD2-CD1 4.32Å; L95-V129 HydrophobicContact CD1-CG2 4Å; L95-V129 HydrophobicContact CD2-CG2 3.76Å
96S94.4Very high86.7Confident61 Ų6170.3 Ų70.343%0.42736%0.364SS..Hα-helixtrans-62.3-36.6174.751.90000113.1S92 K93 E99 A100S92-S96 WeakPolarHBondContact O-CB 3.24Å; S92-S96 PolarHBondContact O-N 2.95Å; S92-S96 PolarHBondContact O-OG 3.4Å; K93-S96 WeakPolarHBondContact CA-OG 3.36Å; K93-S96 PolarHBondContact O-OG 2.83Å; K93-S96 VanDerWaalsContact O-OG 3.07Å; S96-E99 PolarHBondContact O-N 2.91Å; S96-A100 WeakPolarHBondContact O-CB 3.34Å; S96-A100 PolarHBondContact O-N 3.2Å
97S93.2Very high88.4Confident18 Ų1870.3 Ų70.313%0.12637%0.372CS..Hα-helixtrans-65.7-40.9175-64.20000112K93 L94 L95 A100 V101K93-S97 VanDerWaalsContact O-CB 3.24Å; K93-S97 WeakPolarHBondContact O-CB 3.2Å; K93-S97 PolarHBondContact O-N 3.45Å; K93-S97 PolarHBondContact O-OG 3.05Å; L94-S97 WeakPolarHBondContact O-CB 3.48Å; L94-S97 PolarHBondContact O-N 3.44Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.16Å; S97-A100 PolarHBondContact O-N 3.26Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.42Å; S97-V101 PolarHBondContact O-N 3.45Å
98L93.8Very high89.6Confident0 Ų070.2 Ų70.20%037%0.365CS..Hα-helixtrans-62.6-47.8175.3-70.1164.1000111T40 L44 L94 L95 A100 V101 E102 L121 R125T40-L98 HydrophobicContact CG2-CB 4.45Å; T40-L98 HydrophobicContact CG2-CD2 3.44Å; T40-L98 VanDerWaalsContact CG2-CD2 3.44Å; T40-L98 HydrophobicContact CG2-CG 3.49Å; T40-L98 VanDerWaalsContact CG2-CG 3.49Å; L44-L98 HydrophobicContact CB-CD1 4.31Å; L44-L98 HydrophobicContact CD1-CD1 4.05Å; L44-L98 HydrophobicContact CD2-CD1 3.77Å; L44-L98 HydrophobicContact CD2-CD2 4.39Å; L44-L98 HydrophobicContact CG-CD1 4.26Å; L94-L98 HydrophobicContact CG-CD1 4.27Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 2.99Å; L95-L98 HydrophobicContact CD2-CD1 4.43Å; L95-L98 WeakPolarHBondContact O-CB 3.24Å; L95-L98 PolarHBondContact O-N 3.42Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.24Å; L98-V101 WeakPolarHBondContact O-CB 3.38Å; L98-V101 PolarHBondContact O-N 3.27Å; L98-V101 VanDerWaalsContact O-N 3.14Å; L98-E102 WeakPolarHBondContact O-CG 3.43Å; L98-E102 PolarHBondContact O-N 3.36Å; L98-L121 HydrophobicContact CD2-CD1 3.44Å; L98-L121 VanDerWaalsContact CD2-CD1 3.44Å; L98-L121 HydrophobicContact CD2-CD2 4.22Å; L98-L121 HydrophobicContact CD2-CG 3.92Å; L98-R125 HydrophobicContact CD1-CB 4.2Å; L98-R125 HydrophobicContact CD1-CG 3.99Å
99E94.1Very high90.4Very high77 Ų7765.7 Ų65.736%0.3635%0.35SS..Hα-helixtrans-61.6-37.4177-70.4178.2175.900112.4L95 S96 E102 K103 R125L95-E99 WeakPolarHBondContact O-CG 3.47Å; L95-E99 PolarHBondContact O-N 3.44Å; S96-E99 PolarHBondContact O-N 2.91Å; E99-E102 PolarHBondContact O-N 3.1Å; E99-K103 WeakPolarHBondContact O-CB 3.46Å; E99-K103 VanDerWaalsContact O-CG 3.3Å; E99-K103 WeakPolarHBondContact O-CG 3.29Å; E99-K103 PolarHBondContact O-N 2.79Å; E99-R125 IonicContact OE1-NH1 2.9Å
100A93.9Very high90.4Very high56 Ų5671.3 Ų71.346%0.46338%0.375SS..Hα-helixtrans-65.1-39.6174.700000111.8S96 S97 L98 R104S96-A100 WeakPolarHBondContact O-CB 3.34Å; S96-A100 PolarHBondContact O-N 3.2Å; S97-A100 PolarHBondContact O-N 3.26Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.24Å; A100-R104 WeakPolarHBondContact O-CB 3.4Å; A100-R104 PolarHBondContact O-N 2.84Å
101V93.3Very high90.3Very high13 Ų1369.8 Ų69.88%0.07937%0.369CS..Hα-helixtrans-65.1-47174170.30000110.8M36 S97 L98 K103 R104 L105 L121M36-V101 HydrophobicContact CG-CG2 4.15Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.42Å; S97-V101 PolarHBondContact O-N 3.45Å; L98-V101 WeakPolarHBondContact O-CB 3.38Å; L98-V101 PolarHBondContact O-N 3.27Å; L98-V101 VanDerWaalsContact O-N 3.14Å; V101-K103 PolarHBondContact O-N 3.05Å; V101-R104 PolarHBondContact O-N 3.19Å; V101-L105 HydrophobicContact CG1-CD1 3.81Å; V101-L105 HydrophobicContact CG1-CG 4.39Å; V101-L105 WeakPolarHBondContact O-CB 3.11Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 3.1Å; V101-L121 HydrophobicContact CB-CD2 4.28Å; V101-L121 HydrophobicContact CG1-CD2 3.8Å
102E92.4Very high89.9Confident18 Ų1875.2 Ų75.28%0.08439%0.393CS..Hα-helixtrans-55.7-51.8176.8-70173.4178.500111L98 E99 R104 L105 M106 V118 L121 S122 R125L98-E102 WeakPolarHBondContact O-CG 3.43Å; L98-E102 PolarHBondContact O-N 3.36Å; E99-E102 PolarHBondContact O-N 3.1Å; E102-R104 PolarHBondContact O-N 2.96Å; E102-L105 PolarHBondContact O-N 3.37Å; E102-M106 WeakPolarHBondContact O-CG 3.42Å; E102-M106 PolarHBondContact O-N 3.14Å; E102-V118 HydrophobicContact CB-CG1 4.21Å; E102-V118 HydrophobicContact CG-CG1 4.22Å; E102-L121 HydrophobicContact CG-CD2 3.84Å; E102-L121 HydrophobicContact CG-CG 4.34Å; E102-S122 WeakPolarHBondContact OE1-CA 3.46Å; E102-S122 PolarHBondContact OE1-N 2.92Å; E102-S122 PolarHBondContact OE1-OG 2.91Å; E102-S122 PolarHBondContact OE2-OG 2.95Å; E102-R125 IonicContact OE1-CZ 3.73Å; E102-R125 IonicContact OE1-NE 3.27Å; E102-R125 PolarHBondContact OE1-NE 3.21Å; E102-R125 IonicContact OE1-NH2 2.77Å; E102-R125 PolarHBondContact OE1-NH2 3.12Å; E102-R125 IonicContact OE2-CZ 3.71Å; E102-R125 IonicContact OE2-NE 3.01Å; E102-R125 PolarHBondContact OE2-NE 3.39Å; E102-R125 IonicContact OE2-NH2 2.76Å; E102-R125 PolarHBondContact OE2-NH2 2.87Å
103K92.8Very high89.5Confident143 Ų14374.9 Ų74.962%0.62240%0.396SS*.Hα-helixtrans-60.8-44.7178.1-72.6173.2-175.9172.10111.9E99 V101 L105 M106 T107E99-K103 WeakPolarHBondContact O-CB 3.46Å; E99-K103 VanDerWaalsContact O-CG 3.3Å; E99-K103 WeakPolarHBondContact O-CG 3.29Å; E99-K103 PolarHBondContact O-N 2.79Å; V101-K103 PolarHBondContact O-N 3.05Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 2.99Å; K103-M106 PolarHBondContact O-N 3.33Å; K103-T107 WeakPolarHBondContact O-CG2 3.32Å; K103-T107 PolarHBondContact O-N 3.24Å; K103-T107 PolarHBondContact O-OG1 2.69Å
104R91.8Very high89.2Confident142 Ų14270.5 Ų70.554%0.53638%0.379SS..Hα-helixtrans-62.6-34.9179.2-177.4-177.1-176-155.60.7112.5A100 V101 E102 T107 K108A100-R104 WeakPolarHBondContact O-CB 3.4Å; A100-R104 PolarHBondContact O-N 2.84Å; V101-R104 PolarHBondContact O-N 3.19Å; E102-R104 PolarHBondContact O-N 2.96Å; R104-T107 PolarHBondContact O-OG1 3.24Å; R104-T107 VanDerWaalsContact O-OG1 3.05Å; R104-K108 HydrophobicContact CG-CD 4.4Å; R104-K108 VanDerWaalsContact O-CG 3.24Å; R104-K108 WeakPolarHBondContact O-CG 3.3Å; R104-K108 PolarHBondContact O-N 2.98Å
105L89Confident88.9Confident43 Ų4373.6 Ų73.623%0.22540%0.395CS..Hα-helixtrans-75.2-44.2179.1-72.3172.8000111.3V101 E102 K103 T107 K108 S109 V114 Y117 V118V101-L105 HydrophobicContact CG1-CD1 3.81Å; V101-L105 HydrophobicContact CG1-CG 4.39Å; V101-L105 WeakPolarHBondContact O-CB 3.11Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 3.1Å; E102-L105 PolarHBondContact O-N 3.37Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 2.99Å; L105-T107 VanDerWaalsContact C-N 3.27Å; L105-T107 PolarHBondContact O-N 3.47Å; L105-K108 PolarHBondContact O-N 3.28Å; L105-K108 VanDerWaalsContact O-N 3.14Å; L105-S109 PolarHBondContact O-N 2.96Å; L105-V114 HydrophobicContact CB-CG1 3.97Å; L105-Y117 HydrophobicContact CD1-CD1 3.34Å; L105-Y117 HydrophobicContact CD1-CE1 3.26Å; L105-V118 HydrophobicContact CB-CG2 3.75Å; L105-V118 HydrophobicContact CD1-CG2 4.16Å
106M87.7Confident88.4Confident81 Ų8172.5 Ų72.540%0.39939%0.393SS..Hα-helixtrans-64.8-28.5177.9-67.3-61.9-76.500113.3E102 K103 V118E102-M106 WeakPolarHBondContact O-CG 3.42Å; E102-M106 PolarHBondContact O-N 3.14Å; K103-M106 PolarHBondContact O-N 3.33Å; M106-V118 HydrophobicContact CG-CG1 4.04Å; M106-V118 HydrophobicContact CG-CG2 4.05Å; M106-V118 HydrophobicContact SD-CB 4.16Å; M106-V118 HydrophobicContact SD-CG1 4.08Å; M106-V118 HydrophobicContact SD-CG2 3.98Å
107T89.6Confident88Confident118 Ų11872.7 Ų72.772%0.72438%0.384SS*.Hα-helixtrans-78.1-26.9174.353.80000113.4K103 R104 L105K103-T107 WeakPolarHBondContact O-CG2 3.32Å; K103-T107 PolarHBondContact O-N 3.24Å; K103-T107 PolarHBondContact O-OG1 2.69Å; R104-T107 PolarHBondContact O-OG1 3.24Å; R104-T107 VanDerWaalsContact O-OG1 3.05Å; L105-T107 VanDerWaalsContact C-N 3.27Å; L105-T107 PolarHBondContact O-N 3.47Å
108K84.5Confident87.9Confident136 Ų13672.3 Ų72.359%0.59138%0.381SS*.Hα-helixtrans-80.2-37.1-177.6-80.8178.2174.3-167.70113.3R104 L105R104-K108 HydrophobicContact CG-CD 4.4Å; R104-K108 VanDerWaalsContact O-CG 3.24Å; R104-K108 WeakPolarHBondContact O-CG 3.3Å; R104-K108 PolarHBondContact O-N 2.98Å; L105-K108 PolarHBondContact O-N 3.28Å; L105-K108 VanDerWaalsContact O-N 3.14Å
109S83.5Confident87.7Confident50 Ų5073.9 Ų73.935%0.3539%0.39SS..  trans-162.8139.8-176.71750000111L105 A111 V114L105-S109 PolarHBondContact O-N 2.96Å; S109-A111 VanDerWaalsContact OG-CB 3.32Å; S109-A111 WeakPolarHBondContact OG-CB 3.38Å; S109-A111 PolarHBondContact OG-N 3.14Å; S109-A111 VanDerWaalsContact OG-N 3.12Å; S109-V114 WeakPolarHBondContact O-CG1 3.36Å
110Q80.6Confident87.5Confident160 Ų16071.9 Ų71.975%0.74838%0.379SS*.  trans-100.521.2171.3-63.7-173.8-4.600112I115Q110-I115 WeakPolarHBondContact O-CD1 3.45Å
111A84.4Confident87.4Confident46 Ų4669.2 Ų69.238%0.3836%0.357SS..  trans-61.2146173.900000110.9S109 A113 V114 I115S109-A111 VanDerWaalsContact OG-CB 3.32Å; S109-A111 WeakPolarHBondContact OG-CB 3.38Å; S109-A111 PolarHBondContact OG-N 3.14Å; S109-A111 VanDerWaalsContact OG-N 3.12Å; A111-A113 PolarHBondContact O-N 3.42Å; A111-V114 HydrophobicContact CB-CG2 4.35Å; A111-V114 WeakPolarHBondContact O-CA 3.34Å; A111-V114 WeakPolarHBondContact O-CB 3.36Å; A111-V114 PolarHBondContact O-N 3.05Å; A111-I115 PolarHBondContact O-N 3.39Å
112E81.9Confident87.4Confident166 Ų16669.1 Ų69.178%0.77636%0.357SS*.Hα-helixtrans-54.2-40.5-178.3-173.6171.4-168.900112.7V114 I115 G116E112-V114 VanDerWaalsContact C-N 3.32Å; E112-V114 PolarHBondContact O-N 3.23Å; E112-I115 PolarHBondContact O-N 3.27Å; E112-G116 PolarHBondContact O-N 3.05Å
113A80.5Confident87.6Confident84 Ų8468.3 Ų68.369%0.69435%0.353SS*.Hα-helixtrans-60.9-37.1175.400000113.2A111 Y117A111-A113 PolarHBondContact O-N 3.42Å; A113-Y117 WeakPolarHBondContact O-CB 3.16Å; A113-Y117 PolarHBondContact O-N 2.95Å
114V85.2Confident87.7Confident32 Ų3261.5 Ų61.519%0.19432%0.323CS..Hα-helixtrans-72.3-41.8177.8178.50000110.5L105 S109 A111 E112 G116 Y117 V118L105-V114 HydrophobicContact CB-CG1 3.97Å; S109-V114 WeakPolarHBondContact O-CG1 3.36Å; A111-V114 HydrophobicContact CB-CG2 4.35Å; A111-V114 WeakPolarHBondContact O-CA 3.34Å; A111-V114 WeakPolarHBondContact O-CB 3.36Å; A111-V114 PolarHBondContact O-N 3.05Å; E112-V114 VanDerWaalsContact C-N 3.32Å; E112-V114 PolarHBondContact O-N 3.23Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.07Å; V114-Y117 PolarHBondContact O-N 3.17Å; V114-V118 HydrophobicContact CG1-CG2 4.43Å; V114-V118 WeakPolarHBondContact O-CG2 3.49Å; V114-V118 PolarHBondContact O-N 2.98Å
115I86.4Confident87.9Confident66 Ų6655.9 Ų55.934%0.33830%0.302SS..Hα-helixtrans-60.8-45.6174.7-63.7170.7000110.1Q110 A111 E112 Y117 V118 N119Q110-I115 WeakPolarHBondContact O-CD1 3.45Å; A111-I115 PolarHBondContact O-N 3.39Å; E112-I115 PolarHBondContact O-N 3.27Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 3.42Å; I115-V118 PolarHBondContact O-N 2.68Å; I115-N119 WeakPolarHBondContact O-CB 3.26Å; I115-N119 PolarHBondContact O-N 3.25Å; I115-N119 PolarHBondContact O-ND2 3.04Å
116G84.4Confident88.3Confident13 Ų1355.5 Ų55.513%0.13430%0.299CS..Hα-helixtrans-60.7-39175.800000112.9E112 V114 R120 L170E112-G116 PolarHBondContact O-N 3.05Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.07Å; G116-R120 VanDerWaalsContact C-NH1 3.32Å; G116-R120 WeakPolarHBondContact O-CG 3.37Å; G116-R120 PolarHBondContact O-N 2.6Å; G116-R120 PolarHBondContact O-NH1 2.97Å; G116-L170 WeakPolarHBondContact O-CD2 3.35Å
117Y85.5Confident88.8Confident64 Ų6451.8 Ų51.825%0.25128%0.281SS..Hα-helixtrans-65.8-48.6174.6-178.2-83.3000111.9M1 L105 A113 V114 I115 N119 R120 L121M1-Y117 HydrophobicContact CE-CD1 4.46Å; M1-Y117 HydrophobicContact CE-CD2 3.97Å; M1-Y117 HydrophobicContact CE-CE1 3.84Å; M1-Y117 HydrophobicContact CE-CE2 3.26Å; M1-Y117 VanDerWaalsContact CE-OH 3.27Å; M1-Y117 WeakPolarHBondContact CE-OH 3.27Å; M1-Y117 HydrophobicContact CG-CE2 4.47Å; M1-Y117 HydrophobicContact SD-CD2 3.72Å; M1-Y117 HydrophobicContact SD-CE2 3.59Å; M1-Y117 VanDerWaalsContact SD-CE2 3.59Å; M1-Y117 HydrophobicContact SD-CG 4.33Å; L105-Y117 HydrophobicContact CD1-CD1 3.34Å; L105-Y117 HydrophobicContact CD1-CE1 3.26Å; A113-Y117 WeakPolarHBondContact O-CB 3.16Å; A113-Y117 PolarHBondContact O-N 2.95Å; V114-Y117 PolarHBondContact O-N 3.17Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 3.42Å; Y117-N119 VanDerWaalsContact C-N 3.34Å; Y117-N119 PolarHBondContact O-N 3.08Å; Y117-R120 PolarHBondContact O-N 3.34Å; Y117-L121 HydrophobicContact CE1-CD2 4.39Å; Y117-L121 PolarHBondContact O-N 3.2Å
118V90Very high89.1Confident10 Ų1046.7 Ų46.76%0.06125%0.249CC..Hα-helixtrans-61.6-43.1179.7170.40000110.8E102 L105 M106 V114 I115 R120 L121 S122E102-V118 HydrophobicContact CB-CG1 4.21Å; E102-V118 HydrophobicContact CG-CG1 4.22Å; L105-V118 HydrophobicContact CB-CG2 3.75Å; L105-V118 HydrophobicContact CD1-CG2 4.16Å; M106-V118 HydrophobicContact CG-CG1 4.04Å; M106-V118 HydrophobicContact CG-CG2 4.05Å; M106-V118 HydrophobicContact SD-CB 4.16Å; M106-V118 HydrophobicContact SD-CG1 4.08Å; M106-V118 HydrophobicContact SD-CG2 3.98Å; V114-V118 HydrophobicContact CG1-CG2 4.43Å; V114-V118 WeakPolarHBondContact O-CG2 3.49Å; V114-V118 PolarHBondContact O-N 2.98Å; I115-V118 PolarHBondContact O-N 2.68Å; V118-R120 PolarHBondContact O-N 3.35Å; V118-L121 PolarHBondContact O-N 3.4Å; V118-S122 WeakPolarHBondContact O-CB 3.17Å; V118-S122 PolarHBondContact O-N 3.38Å; V118-S122 PolarHBondContact O-OG 3.26Å
119N90.3Very high89.6Confident33 Ų3341.4 Ų41.418%0.17623%0.228CC..Hα-helixtrans-62.7-38.9177.5-77.6-20000112.8I115 Y117 F123 L170I115-N119 WeakPolarHBondContact O-CB 3.26Å; I115-N119 PolarHBondContact O-N 3.25Å; I115-N119 PolarHBondContact O-ND2 3.04Å; Y117-N119 VanDerWaalsContact C-N 3.34Å; Y117-N119 PolarHBondContact O-N 3.08Å; N119-F123 WeakPolarHBondContact O-CB 3.31Å; N119-F123 PolarHBondContact O-N 2.83Å; N119-L170 HydrophobicContact CB-CD1 4.2Å; N119-L170 HydrophobicContact CB-CD2 3.66Å; N119-L170 HydrophobicContact CB-CG 4Å
120R89.9Confident90.1Very high35 Ų3539 Ų3913%0.13221%0.211CC..Hα-helixtrans-63.5-46174.3-73.7168.8177.184.2-7.4111M1 D2 G116 Y117 V118 F123 Y124 L170M1-R120 HydrophobicContact SD-CB 4.03Å; D2-R120 IonicContact OD1-CZ 3.92Å; D2-R120 VanDerWaalsContact OD1-CZ 3.27Å; D2-R120 IonicContact OD1-NE 3.71Å; D2-R120 PolarHBondContact OD1-NE 2.76Å; D2-R120 IonicContact OD1-NH2 3.57Å; D2-R120 PolarHBondContact OD1-NH2 3.18Å; D2-R120 IonicContact OD2-CZ 3.32Å; D2-R120 IonicContact OD2-NE 2.7Å; D2-R120 IonicContact OD2-NH2 2.71Å; G116-R120 VanDerWaalsContact C-NH1 3.32Å; G116-R120 WeakPolarHBondContact O-CG 3.37Å; G116-R120 PolarHBondContact O-N 2.6Å; G116-R120 PolarHBondContact O-NH1 2.97Å; Y117-R120 PolarHBondContact O-N 3.34Å; V118-R120 PolarHBondContact O-N 3.35Å; R120-F123 PolarHBondContact O-N 2.99Å; R120-Y124 WeakPolarHBondContact O-CD2 3.39Å; R120-Y124 PolarHBondContact O-N 2.91Å; R120-L170 HydrophobicContact CG-CD1 3.92Å; R120-L170 HydrophobicContact CG-CD2 3.59Å; R120-L170 HydrophobicContact CG-CG 4.35Å
121L92.2Very high90.7Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-61-47.2178.2-167.363.2000111.1M1 F41 L98 V101 E102 Y117 V118 F123 Y124 R125M1-L121 HydrophobicContact CE-CD1 4.03Å; F41-L121 HydrophobicContact CB-CD1 3.86Å; F41-L121 HydrophobicContact CD2-CD1 3.92Å; F41-L121 HydrophobicContact CG-CD1 4.35Å; L98-L121 HydrophobicContact CD2-CD1 3.44Å; L98-L121 VanDerWaalsContact CD2-CD1 3.44Å; L98-L121 HydrophobicContact CD2-CD2 4.22Å; L98-L121 HydrophobicContact CD2-CG 3.92Å; V101-L121 HydrophobicContact CB-CD2 4.28Å; V101-L121 HydrophobicContact CG1-CD2 3.8Å; E102-L121 HydrophobicContact CG-CD2 3.84Å; E102-L121 HydrophobicContact CG-CG 4.34Å; Y117-L121 HydrophobicContact CE1-CD2 4.39Å; Y117-L121 PolarHBondContact O-N 3.2Å; V118-L121 PolarHBondContact O-N 3.4Å; L121-F123 PolarHBondContact O-N 2.92Å; L121-Y124 PolarHBondContact O-N 3.31Å; L121-R125 WeakPolarHBondContact O-CB 3.35Å; L121-R125 PolarHBondContact O-N 2.97Å
122S94Very high91.1Very high12 Ų1230.7 Ų30.78%0.08417%0.165CC..Hα-helixtrans-62.5-40.7176.6-70.50000112.4E102 V118 R125 H126E102-S122 WeakPolarHBondContact OE1-CA 3.46Å; E102-S122 PolarHBondContact OE1-N 2.92Å; E102-S122 PolarHBondContact OE1-OG 2.91Å; E102-S122 PolarHBondContact OE2-OG 2.95Å; V118-S122 WeakPolarHBondContact O-CB 3.17Å; V118-S122 PolarHBondContact O-N 3.38Å; V118-S122 PolarHBondContact O-OG 3.26Å; S122-R125 PolarHBondContact O-N 3.41Å; S122-H126 PolarHBondContact O-N 2.88Å; S122-H126 PolarHBondContact O-ND1 3.27Å
123F95.5Very high91.4Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-55.7-55.1176.5170.3-99.6000111.2N119 R120 L121 R125 H126 L127 C163 C166 L167 L170 L221 V225N119-F123 WeakPolarHBondContact O-CB 3.31Å; N119-F123 PolarHBondContact O-N 2.83Å; R120-F123 PolarHBondContact O-N 2.99Å; L121-F123 PolarHBondContact O-N 2.92Å; F123-R125 VanDerWaalsContact C-N 3.3Å; F123-R125 PolarHBondContact O-N 2.96Å; F123-H126 PolarHBondContact O-N 2.71Å; F123-L127 HydrophobicContact CE1-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CD2 4.07Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 2.89Å; F123-C163 HydrophobicContact CD2-CB 3.87Å; F123-C163 HydrophobicContact CE2-CB 3.81Å; F123-C166 HydrophobicContact CB-CB 3.8Å; F123-C166 HydrophobicContact CD2-CB 4.32Å; F123-L167 HydrophobicContact CD2-CD1 4.28Å; F123-L167 HydrophobicContact CD2-CD2 3.94Å; F123-L167 HydrophobicContact CD2-CG 3.75Å; F123-L167 HydrophobicContact CE2-CD1 3.57Å; F123-L167 HydrophobicContact CE2-CD2 3.68Å; F123-L167 HydrophobicContact CE2-CG 3.51Å; F123-L167 HydrophobicContact CZ-CD1 4.25Å; F123-L167 HydrophobicContact CZ-CD2 4.06Å; F123-L167 HydrophobicContact CZ-CG 4.33Å; F123-L170 HydrophobicContact CB-CD1 4.32Å; F123-L221 HydrophobicContact CE1-CD1 3.85Å; F123-L221 HydrophobicContact CE1-CD2 4.36Å; F123-L221 HydrophobicContact CZ-CB 4.11Å; F123-L221 HydrophobicContact CZ-CD1 4.06Å; F123-L221 HydrophobicContact CZ-CD2 4.21Å; F123-L221 HydrophobicContact CZ-CG 4.36Å; F123-V225 HydrophobicContact CE2-CG2 4.2Å
124Y95.9Very high91.7Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-66.7-33.4-178.5-72.7-67.3000112.5T5 L8 F41 I45 L48 R120 L121 L127 Y128T5-Y124 WeakPolarHBondContact CA-OH 3.33Å; T5-Y124 VanDerWaalsContact CB-OH 3.22Å; T5-Y124 WeakPolarHBondContact CB-OH 3.21Å; T5-Y124 VanDerWaalsContact CG2-OH 3.28Å; T5-Y124 WeakPolarHBondContact CG2-OH 3.25Å; T5-Y124 PolarHBondContact OG1-OH 3.4Å; L8-Y124 HydrophobicContact CD2-CD1 4.41Å; L8-Y124 HydrophobicContact CD2-CE1 3.59Å; F41-Y124 AromaticContact CE2-CD2 3.66Å; F41-Y124 HydrophobicContact CE2-CD2 3.66Å; F41-Y124 HydrophobicContact CE2-CE2 4.06Å; F41-Y124 HydrophobicContact CE2-CG 4.35Å; F41-Y124 HydrophobicContact CZ-CD2 4.43Å; F41-Y124 HydrophobicContact CZ-CE2 4.42Å; I45-Y124 HydrophobicContact CD1-CD1 3.76Å; I45-Y124 HydrophobicContact CD1-CD2 4.27Å; I45-Y124 HydrophobicContact CD1-CE1 4.06Å; I45-Y124 HydrophobicContact CD1-CG 3.87Å; L48-Y124 HydrophobicContact CD2-CD1 3.95Å; R120-Y124 WeakPolarHBondContact O-CD2 3.39Å; R120-Y124 PolarHBondContact O-N 2.91Å; L121-Y124 PolarHBondContact O-N 3.31Å; Y124-L127 HydrophobicContact CD1-CD2 4.44Å; Y124-L127 PolarHBondContact O-N 2.95Å; Y124-Y128 WeakPolarHBondContact O-CB 3.28Å; Y124-Y128 PolarHBondContact O-N 3.45Å
125R96.1Very high91.5Very high25 Ų2518.5 Ų18.59%0.0949%0.094CC..Hα-helixtrans-62.1-51.2174.6-176.9174.159.277.4-4.8111L44 L95 L98 E99 E102 L121 S122 F123 L127 Y128 V129L44-R125 HydrophobicContact CD2-CB 4.43Å; L95-R125 HydrophobicContact CD2-CG 3.78Å; L98-R125 HydrophobicContact CD1-CB 4.2Å; L98-R125 HydrophobicContact CD1-CG 3.99Å; E99-R125 IonicContact OE1-NH1 2.9Å; E102-R125 IonicContact OE1-CZ 3.73Å; E102-R125 IonicContact OE1-NE 3.27Å; E102-R125 PolarHBondContact OE1-NE 3.21Å; E102-R125 IonicContact OE1-NH2 2.77Å; E102-R125 PolarHBondContact OE1-NH2 3.12Å; E102-R125 IonicContact OE2-CZ 3.71Å; E102-R125 IonicContact OE2-NE 3.01Å; E102-R125 PolarHBondContact OE2-NE 3.39Å; E102-R125 IonicContact OE2-NH2 2.76Å; E102-R125 PolarHBondContact OE2-NH2 2.87Å; L121-R125 WeakPolarHBondContact O-CB 3.35Å; L121-R125 PolarHBondContact O-N 2.97Å; S122-R125 PolarHBondContact O-N 3.41Å; F123-R125 VanDerWaalsContact C-N 3.3Å; F123-R125 PolarHBondContact O-N 2.96Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-Y128 PolarHBondContact O-N 3.48Å; R125-V129 VanDerWaalsContact O-CG2 3.31Å; R125-V129 WeakPolarHBondContact O-CG2 3.37Å; R125-V129 PolarHBondContact O-N 3.33Å
126H96.9Very high91Very high34 Ų3420.5 Ų20.516%0.15710%0.102CC..Hα-helixtrans-68-34.4178.8-67.396.7000112.1S122 F123 V129 A130 S159 A162S122-H126 PolarHBondContact O-N 2.88Å; S122-H126 PolarHBondContact O-ND1 3.27Å; F123-H126 PolarHBondContact O-N 2.71Å; H126-V129 PolarHBondContact O-N 3.28Å; H126-A130 VanDerWaalsContact O-CB 3.31Å; H126-A130 WeakPolarHBondContact O-CB 3.37Å; H126-A130 PolarHBondContact O-N 2.85Å; H126-S159 WeakPolarHBondContact CB-O 3.18Å; H126-A162 HydrophobicContact CB-CB 4.2Å; H126-A162 VanDerWaalsContact CD2-CB 3.48Å; H126-A162 WeakPolarHBondContact CD2-CB 3.29Å
127L96.8Very high90.4Very high4 Ų422.9 Ų22.92%0.02111%0.109CC..Hα-helixtrans-62.9-45.5174.8179.161.6000110.8L48 F123 Y124 R125 A130 L131 C163 M224 L228L48-L127 HydrophobicContact CD1-CG 4.35Å; L48-L127 HydrophobicContact CD2-CD2 4.16Å; F123-L127 HydrophobicContact CE1-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CD2 4.07Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 2.89Å; Y124-L127 HydrophobicContact CD1-CD2 4.44Å; Y124-L127 PolarHBondContact O-N 2.95Å; R125-L127 VanDerWaalsContact C-N 3.34Å; L127-A130 PolarHBondContact O-N 2.92Å; L127-L131 HydrophobicContact CD1-CD1 4.17Å; L127-L131 HydrophobicContact CD1-CG 4.28Å; L127-L131 HydrophobicContact CG-CD1 4.23Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.43Å; L127-C163 PolarHBondContact N-SG 3.2Å; L127-M224 HydrophobicContact CD1-CE 4.12Å; L127-M224 HydrophobicContact CD2-CE 4Å; L127-L228 HydrophobicContact CD1-CD1 4.35Å
128Y96Very high89.5Confident10 Ų1022.3 Ų22.34%0.03911%0.11CC..Hα-helixtrans-62.3-45.4175.6-178.8-105.3000111.9L44 K47 L48 L51 N91 L95 Y124 R125 A130 L131 L132L44-Y128 HydrophobicContact CD1-CD1 3.77Å; L44-Y128 HydrophobicContact CD1-CD2 4.29Å; L44-Y128 HydrophobicContact CD1-CG 3.64Å; K47-Y128 HydrophobicContact CB-CD2 4.46Å; K47-Y128 HydrophobicContact CB-CE2 3.67Å; K47-Y128 WeakPolarHBondContact CD-OH 3.47Å; L48-Y128 HydrophobicContact CB-CD2 4.12Å; L48-Y128 HydrophobicContact CD1-CD2 4.26Å; L51-Y128 HydrophobicContact CB-CE2 4.21Å; L51-Y128 HydrophobicContact CD2-CD2 3.79Å; L51-Y128 HydrophobicContact CD2-CE2 3.71Å; N91-Y128 PolarHBondContact ND2-OH 3.23Å; N91-Y128 PolarHBondContact OD1-OH 3.44Å; L95-Y128 HydrophobicContact CD2-CD1 4.32Å; Y124-Y128 WeakPolarHBondContact O-CB 3.28Å; Y124-Y128 PolarHBondContact O-N 3.45Å; R125-Y128 PolarHBondContact O-N 3.48Å; Y128-A130 PolarHBondContact O-N 2.84Å; Y128-L131 PolarHBondContact O-N 2.88Å; Y128-L132 HydrophobicContact CE1-CD2 4.26Å; Y128-L132 WeakPolarHBondContact O-CB 3.44Å; Y128-L132 PolarHBondContact O-N 2.92Å
129V95.3Very high88.4Confident25 Ų2528.1 Ų28.115%0.15214%0.136CC..Hα-helixtrans-60.2-45.3176.2171.40000111.2L95 R125 H126 L132 A133 E155 S159L95-V129 HydrophobicContact CD1-CG2 4Å; L95-V129 HydrophobicContact CD2-CG2 3.76Å; R125-V129 VanDerWaalsContact O-CG2 3.31Å; R125-V129 WeakPolarHBondContact O-CG2 3.37Å; R125-V129 PolarHBondContact O-N 3.33Å; H126-V129 PolarHBondContact O-N 3.28Å; V129-L132 PolarHBondContact O-N 3.44Å; V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 3.49Å; V129-E155 HydrophobicContact CG1-CG 4.34Å; V129-S159 WeakPolarHBondContact CG1-OG 3.21Å
130A95.1Very high87.3Confident0 Ų034.6 Ų34.60%017%0.165CC..Hα-helixtrans-61.2-48.3178.200000111.8H126 L127 Y128 L132 A133 M134 L160H126-A130 VanDerWaalsContact O-CB 3.31Å; H126-A130 WeakPolarHBondContact O-CB 3.37Å; H126-A130 PolarHBondContact O-N 2.85Å; L127-A130 PolarHBondContact O-N 2.92Å; Y128-A130 PolarHBondContact O-N 2.84Å; A130-L132 VanDerWaalsContact C-N 3.35Å; A130-A133 PolarHBondContact O-N 3.25Å; A130-M134 WeakPolarHBondContact O-CG 3.3Å; A130-M134 PolarHBondContact O-N 3.21Å; A130-L160 HydrophobicContact CB-CD2 3.86Å; A130-L160 HydrophobicContact CB-CG 3.99Å
131L93.3Very high86.2Confident1 Ų137.7 Ų37.71%0.00518%0.18CC..Hα-helixtrans-67-36.5178.9-69.5176.7000112.1L48 L51 V52 I55 L127 Y128 M134 T135 L228 L263 V267L48-L131 HydrophobicContact CD1-CD1 3.62Å; L51-L131 HydrophobicContact CD2-CB 3.66Å; L51-L131 HydrophobicContact CG-CB 4.35Å; V52-L131 HydrophobicContact CG2-CD1 3.98Å; I55-L131 HydrophobicContact CD1-CB 4.24Å; I55-L131 HydrophobicContact CD1-CD2 4.2Å; L127-L131 HydrophobicContact CD1-CD1 4.17Å; L127-L131 HydrophobicContact CD1-CG 4.28Å; L127-L131 HydrophobicContact CG-CD1 4.23Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 3.43Å; Y128-L131 PolarHBondContact O-N 2.88Å; L131-M134 HydrophobicContact CD2-SD 4.03Å; L131-M134 WeakPolarHBondContact O-CB 3.28Å; L131-M134 PolarHBondContact O-N 3.49Å; L131-T135 WeakPolarHBondContact O-CG2 3.42Å; L131-T135 PolarHBondContact O-N 3.48Å; L131-T135 PolarHBondContact O-OG1 3.32Å; L131-L228 HydrophobicContact CD2-CD1 4.27Å; L131-L228 HydrophobicContact CD2-CD2 4.5Å; L131-L263 HydrophobicContact CD1-CD2 4.39Å; L131-V267 HydrophobicContact CD2-CG2 4.12Å
132L91.1Very high84.8Confident30 Ų3040 Ų4016%0.15719%0.189CC..Hα-helixtrans-64.5-49.8177.8-175.766.6000109.6L51 Y128 V129 A130 M134 T135 E136L51-L132 HydrophobicContact CD1-CD1 4.41Å; L51-L132 HydrophobicContact CD2-CB 4.11Å; Y128-L132 HydrophobicContact CE1-CD2 4.26Å; Y128-L132 WeakPolarHBondContact O-CB 3.44Å; Y128-L132 PolarHBondContact O-N 2.92Å; V129-L132 PolarHBondContact O-N 3.44Å; A130-L132 VanDerWaalsContact C-N 3.35Å; L132-M134 PolarHBondContact O-N 3.33Å; L132-T135 WeakPolarHBondContact O-CA 3.48Å; L132-T135 PolarHBondContact O-N 3Å; L132-T135 PolarHBondContact O-OG1 3.33Å; L132-E136 PolarHBondContact O-N 2.9Å; L132-E136 VanDerWaalsContact O-N 3.07Å
133A89.3Confident83.3Confident6 Ų643.2 Ų43.25%0.0522%0.216CC..Hα-helixtrans-58.2-35.9174.400000111.9V129 A130 T135 G151 I156V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 3.49Å; A130-A133 PolarHBondContact O-N 3.25Å; A133-T135 PolarHBondContact O-N 3.36Å; A133-G151 WeakPolarHBondContact O-CA 3.48Å; A133-I156 HydrophobicContact CB-CD1 4.29Å; A133-I156 HydrophobicContact CB-CG1 3.57Å
134M86.7Confident81.9Confident5 Ų546 Ų463%0.02524%0.236CC..THydrogen-bonded Turntrans-67.7-9.3173.6-73.3174.9178.400114.8A130 L131 L132 I150 I156 L160 L228 V232 V267A130-M134 WeakPolarHBondContact O-CG 3.3Å; A130-M134 PolarHBondContact O-N 3.21Å; L131-M134 HydrophobicContact CD2-SD 4.03Å; L131-M134 WeakPolarHBondContact O-CB 3.28Å; L131-M134 PolarHBondContact O-N 3.49Å; L132-M134 PolarHBondContact O-N 3.33Å; M134-I150 WeakPolarHBondContact O-CG2 3.33Å; M134-I156 HydrophobicContact CB-CD1 4.47Å; M134-I156 HydrophobicContact CE-CG2 3.31Å; M134-I156 HydrophobicContact CG-CD1 3.75Å; M134-I156 HydrophobicContact CG-CG1 4.02Å; M134-I156 HydrophobicContact CG-CG2 3.93Å; M134-I156 HydrophobicContact SD-CG2 4.44Å; M134-L160 HydrophobicContact CE-CD1 3.73Å; M134-L160 HydrophobicContact CE-CG 4.49Å; M134-L228 HydrophobicContact CE-CB 4.17Å; M134-L228 HydrophobicContact CE-CD2 4.2Å; M134-L228 HydrophobicContact SD-CD2 4.21Å; M134-V232 HydrophobicContact CE-CG2 3.88Å; M134-V267 HydrophobicContact CE-CG1 4.38Å; M134-V267 HydrophobicContact SD-CG1 3.49Å; M134-V267 WeakPolarHBondContact SD-CG1 3.44Å; M134-V267 HydrophobicContact SD-CG2 4.4Å
135T80.2Confident80.4Confident15 Ų1552.4 Ų52.49%0.09226%0.263CS..THydrogen-bonded Turntrans-113.9-18.1-179.559.30000114.4L51 I55 R58 L131 L132 A133 K137L51-T135 HydrophobicContact CD1-CG2 4Å; I55-T135 HydrophobicContact CD1-CG2 3.68Å; I55-T135 HydrophobicContact CG1-CG2 3.3Å; R58-T135 PolarHBondContact NH1-O 3.06Å; R58-T135 VanDerWaalsContact NH1-O 3.09Å; L131-T135 WeakPolarHBondContact O-CG2 3.42Å; L131-T135 PolarHBondContact O-N 3.48Å; L131-T135 PolarHBondContact O-OG1 3.32Å; L132-T135 WeakPolarHBondContact O-CA 3.48Å; L132-T135 PolarHBondContact O-N 3Å; L132-T135 PolarHBondContact O-OG1 3.33Å; A133-T135 PolarHBondContact O-N 3.36Å; T135-K137 PolarHBondContact O-N 3.43Å
136E77.2Confident78.5Confident108 Ų10859.5 Ų59.551%0.50530%0.295SS..  trans-68.1118.7179.3-78.5177.2-179.700110.7L132 I150 G151L132-E136 PolarHBondContact O-N 2.9Å; L132-E136 VanDerWaalsContact O-N 3.07Å; E136-I150 VanDerWaalsContact O-CG2 3.22Å; E136-I150 WeakPolarHBondContact O-CG2 3.26Å; E136-G151 PolarHBondContact O-N 2.83Å; E136-G151 VanDerWaalsContact O-N 3.11Å
137K70.4Confident76.8Confident64 Ų6462.9 Ų62.928%0.27831%0.314SS..BIsolated β-bridgetrans-80.2125.6169.6-62.3-174.3-179.5-172.40107.6T135 E139 W142 E279T135-K137 PolarHBondContact O-N 3.43Å; K137-E139 PolarHBondContact O-N 2.76Å; K137-E139 VanDerWaalsContact O-N 3.12Å; K137-W142 HydrophobicContact CD-CD2 4.39Å; K137-W142 HydrophobicContact CD-CE3 4.49Å; K137-E279 IonicContact NZ-OE2 2.63Å; K137-E279 PolarHBondContact NZ-OE2 3.27Å
138D67.3Low75Confident52 Ų5264.6 Ų64.628%0.27832%0.323SS..  trans-7595.6164.1-178-28.9000107.1E140 K141 W142D138-E140 PolarHBondContact O-N 3.18Å; D138-E140 PolarHBondContact OD1-N 3.45Å; D138-K141 HydrophobicContact CB-CB 4.09Å; D138-K141 HydrophobicContact CB-CD 4.48Å; D138-K141 HydrophobicContact CB-CG 4.37Å; D138-K141 PolarHBondContact O-N 3.33Å; D138-K141 PolarHBondContact OD1-N 3.29Å; D138-K141 VanDerWaalsContact OD1-N 3.1Å; D138-K141 WeakPolarHBondContact OD2-CD 3.35Å; D138-K141 WeakPolarHBondContact OD2-CE 3.36Å; D138-K141 WeakPolarHBondContact OD2-CG 3.36Å; D138-K141 IonicContact OD2-NZ 3.83Å; D138-K141 PolarHBondContact OD2-NZ 2.93Å; D138-W142 WeakPolarHBondContact O-CB 3.39Å; D138-W142 PolarHBondContact O-N 3.42Å
139E67.7Low73.3Confident132 Ų13266.9 Ų66.962%0.61734%0.337SS*.Hα-helixtrans-54.9-35-174.9-69.6-65.6158.100112.5K137 A143K137-E139 PolarHBondContact O-N 2.76Å; K137-E139 VanDerWaalsContact O-N 3.12Å; E139-A143 WeakPolarHBondContact O-CB 3.2Å; E139-A143 PolarHBondContact O-N 3.24Å
140E66.1Low72Confident168 Ų16865.7 Ų65.779%0.78533%0.33SS*.Hα-helixtrans-69.3-49.5178.9-65.5-174.6173.400111.3D138 W142 A143 S144D138-E140 PolarHBondContact O-N 3.18Å; D138-E140 PolarHBondContact OD1-N 3.45Å; E140-W142 VanDerWaalsContact C-N 3.3Å; E140-W142 PolarHBondContact O-N 3.01Å; E140-A143 PolarHBondContact O-N 3.48Å; E140-S144 PolarHBondContact O-N 3.38Å; E140-S144 VanDerWaalsContact O-N 3.16Å
141K66.5Low70.8Confident100 Ų10066.5 Ų66.544%0.43534%0.338SS..Hα-helixtrans-66.2-36.5176.4-70.1-169.4-170.81090111.8D138 S144 D147D138-K141 HydrophobicContact CB-CB 4.09Å; D138-K141 HydrophobicContact CB-CD 4.48Å; D138-K141 HydrophobicContact CB-CG 4.37Å; D138-K141 PolarHBondContact O-N 3.33Å; D138-K141 PolarHBondContact OD1-N 3.29Å; D138-K141 VanDerWaalsContact OD1-N 3.1Å; D138-K141 WeakPolarHBondContact OD2-CD 3.35Å; D138-K141 WeakPolarHBondContact OD2-CE 3.36Å; D138-K141 WeakPolarHBondContact OD2-CG 3.36Å; D138-K141 IonicContact OD2-NZ 3.83Å; D138-K141 PolarHBondContact OD2-NZ 2.93Å; K141-S144 WeakPolarHBondContact O-CB 3.26Å; K141-S144 PolarHBondContact O-N 2.87Å; K141-S144 PolarHBondContact O-OG 3.44Å; K141-D147 WeakPolarHBondContact CB-O 3.13Å
142W62.4Low70.3Confident49 Ų4970.3 Ų70.319%0.18636%0.358CS..Hα-helixtrans-61.6-48.6175.8-167.3-92.9000111.6K137 D138 E140 S144 K145 M148 P274K137-W142 HydrophobicContact CD-CD2 4.39Å; K137-W142 HydrophobicContact CD-CE3 4.49Å; D138-W142 WeakPolarHBondContact O-CB 3.39Å; D138-W142 PolarHBondContact O-N 3.42Å; E140-W142 VanDerWaalsContact C-N 3.3Å; E140-W142 PolarHBondContact O-N 3.01Å; W142-S144 PolarHBondContact O-N 2.95Å; W142-K145 PolarHBondContact O-N 3.06Å; W142-M148 HydrophobicContact CD2-CE 4.09Å; W142-M148 HydrophobicContact CE3-CB 4.3Å; W142-M148 HydrophobicContact CE3-CE 3.88Å; W142-M148 HydrophobicContact CH2-CE 3.06Å; W142-M148 HydrophobicContact CZ2-CE 3.38Å; W142-M148 HydrophobicContact CZ3-CB 4.14Å; W142-M148 HydrophobicContact CZ3-CE 3.37Å; W142-P274 HydrophobicContact CH2-CB 3.3Å; W142-P274 HydrophobicContact CH2-CG 3.38Å; W142-P274 HydrophobicContact CZ3-CB 3.34Å; W142-P274 HydrophobicContact CZ3-CG 3.23Å
143A63.8Low69.9Low79 Ų7970.1 Ų70.165%0.65336%0.358SS*.Hα-helixtrans-59.6-33.9176.800000112.3E139 E140 K145E139-A143 WeakPolarHBondContact O-CB 3.2Å; E139-A143 PolarHBondContact O-N 3.24Å; E140-A143 PolarHBondContact O-N 3.48Å; A143-K145 PolarHBondContact O-N 3.42Å
144S65.8Low69.8Low60 Ų6073.5 Ų73.542%0.4238%0.379SS..THydrogen-bonded Turntrans-67.7-18.1177.6850000114.3E140 K141 W142 K146E140-S144 PolarHBondContact O-N 3.38Å; E140-S144 VanDerWaalsContact O-N 3.16Å; K141-S144 WeakPolarHBondContact O-CB 3.26Å; K141-S144 PolarHBondContact O-N 2.87Å; K141-S144 PolarHBondContact O-OG 3.44Å; W142-S144 PolarHBondContact O-N 2.95Å; S144-K146 PolarHBondContact O-N 3.04Å; S144-K146 PolarHBondContact OG-N 3.17Å
145K63.5Low70Confident134 Ų13475.6 Ų75.658%0.58339%0.388SS*.THydrogen-bonded Turntrans52.57.9-173.2-61.6-179.1179.41780115.4W142 A143 P284W142-K145 PolarHBondContact O-N 3.06Å; A143-K145 PolarHBondContact O-N 3.42Å; K145-P284 VanDerWaalsContact O-CG 3.29Å; K145-P284 WeakPolarHBondContact O-CG 3.46Å
146K58.1Low70.6Confident174 Ų17474.9 Ų74.976%0.75738%0.384SS*.SBendtrans-91.7-46.1-176.7-77.1-179.4-179.6176.60112.2S144S144-K146 PolarHBondContact O-N 3.04Å; S144-K146 PolarHBondContact OG-N 3.17Å
147D59.4Low71.3Confident105 Ų10573.8 Ų73.856%0.56138%0.375SS*.  trans-12882.9-178.2-73.4-36.5000110.1K141 V149K141-D147 WeakPolarHBondContact CB-O 3.13Å; D147-V149 HydrophobicContact CB-CG2 4.47Å; D147-V149 PolarHBondContact O-N 3.46Å
148M58.9Low72.5Confident40 Ų4078 Ų7820%0.19739%0.39CS..  trans-78.850.4179.5-59.8177.471.800112.3W142 I150 P281W142-M148 HydrophobicContact CD2-CE 4.09Å; W142-M148 HydrophobicContact CE3-CB 4.3Å; W142-M148 HydrophobicContact CE3-CE 3.88Å; W142-M148 HydrophobicContact CH2-CE 3.06Å; W142-M148 HydrophobicContact CZ2-CE 3.38Å; W142-M148 HydrophobicContact CZ3-CB 4.14Å; W142-M148 HydrophobicContact CZ3-CE 3.37Å; M148-I150 PolarHBondContact O-N 2.74Å; M148-P281 VanDerWaalsContact CE-CD 3.45Å; M148-P281 HydrophobicContact CE-CG 3.67Å; M148-P281 HydrophobicContact SD-CB 4.39Å; M148-P281 WeakPolarHBondContact SD-CD 3.49Å; M148-P281 HydrophobicContact SD-CG 3.28Å; M148-P281 WeakPolarHBondContact SD-CG 3.44Å
149V61.5Low73.9Confident57 Ų5775.6 Ų75.635%0.34538%0.377SS..  trans-76.3124.9177.2-1760000108.1D147 V153D147-V149 HydrophobicContact CB-CG2 4.47Å; D147-V149 PolarHBondContact O-N 3.46Å; V149-V153 HydrophobicContact CG1-CG2 4.18Å
150I66.8Low75.2Confident1 Ų169.3 Ų69.31%0.00535%0.347CS..BIsolated β-bridgetrans-83.4130.3167.5-47.6177.2000108.3M134 E136 M148 L270 F271 P274M134-I150 WeakPolarHBondContact O-CG2 3.33Å; E136-I150 VanDerWaalsContact O-CG2 3.22Å; E136-I150 WeakPolarHBondContact O-CG2 3.26Å; M148-I150 PolarHBondContact O-N 2.74Å; I150-L270 WeakPolarHBondContact CD1-O 3.28Å; I150-F271 HydrophobicContact CB-CD2 4.36Å; I150-F271 HydrophobicContact CB-CE2 4.45Å; I150-F271 WeakPolarHBondContact O-CE2 3.37Å; I150-P274 HydrophobicContact CD1-CB 3.29Å; I150-P274 HydrophobicContact CD1-CG 3.69Å; I150-P274 HydrophobicContact CG1-CB 3.64Å; I150-P274 HydrophobicContact CG1-CG 3.72Å
151G71.5Confident76.7Confident16 Ų1666.6 Ų66.617%0.16533%0.333CS..SBendtrans73.4163.4169.300000116.4A133 E136 V153A133-G151 WeakPolarHBondContact O-CA 3.48Å; E136-G151 PolarHBondContact O-N 2.83Å; E136-G151 VanDerWaalsContact O-N 3.11Å; G151-V153 PolarHBondContact O-N 3.05Å
152D81.7Confident78Confident81 Ų8162.5 Ų62.543%0.43332%0.318SS..  trans-78.5100166.1-179.1-4000109.8T154 E155 I156D152-T154 VanDerWaalsContact CG-OG1 3.3Å; D152-T154 PolarHBondContact O-N 3.15Å; D152-T154 VanDerWaalsContact O-N 3.1Å; D152-T154 WeakPolarHBondContact OD1-CA 3.16Å; D152-T154 WeakPolarHBondContact OD1-CB 3.42Å; D152-T154 PolarHBondContact OD1-N 3.42Å; D152-T154 PolarHBondContact OD1-OG1 2.94Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; D152-E155 HydrophobicContact CB-CB 3.87Å; D152-E155 PolarHBondContact O-N 3.4Å; D152-E155 VanDerWaalsContact O-N 3.1Å; D152-E155 PolarHBondContact OD1-N 2.81Å; D152-I156 VanDerWaalsContact O-CG1 3.24Å; D152-I156 WeakPolarHBondContact O-CG1 3.46Å; D152-I156 PolarHBondContact O-N 2.84Å
153V83.3Confident79.6Confident26 Ų2660.1 Ų60.116%0.15831%0.309CS..Hα-helixtrans-51.6-33.8176175.60000112.1V149 G151 R157 V232 F271V149-V153 HydrophobicContact CG1-CG2 4.18Å; G151-V153 PolarHBondContact O-N 3.05Å; V153-R157 VanDerWaalsContact O-CB 3.25Å; V153-R157 WeakPolarHBondContact O-CB 3.41Å; V153-R157 PolarHBondContact O-N 3.39Å; V153-V232 HydrophobicContact CG1-CG1 3.86Å; V153-F271 HydrophobicContact CG2-CZ 4.35Å
154T87.6Confident81.1Confident77 Ų7760.1 Ų60.147%0.47230%0.295SS..Hα-helixtrans-73.1-41.9-179.2730000111.7D152 R157 R158D152-T154 VanDerWaalsContact CG-OG1 3.3Å; D152-T154 PolarHBondContact O-N 3.15Å; D152-T154 VanDerWaalsContact O-N 3.1Å; D152-T154 WeakPolarHBondContact OD1-CA 3.16Å; D152-T154 WeakPolarHBondContact OD1-CB 3.42Å; D152-T154 PolarHBondContact OD1-N 3.42Å; D152-T154 PolarHBondContact OD1-OG1 2.94Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; T154-R157 PolarHBondContact O-N 2.8Å; T154-R158 WeakPolarHBondContact O-CB 3.4Å; T154-R158 PolarHBondContact O-N 3.18Å
155E90.3Very high82.3Confident50 Ų5065 Ų6523%0.23430%0.304CS..Hα-helixtrans-68.7-43.2175.9-176.851-141.500111.6V129 D152 R157 R158 S159V129-E155 HydrophobicContact CG1-CG 4.34Å; D152-E155 HydrophobicContact CB-CB 3.87Å; D152-E155 PolarHBondContact O-N 3.4Å; D152-E155 VanDerWaalsContact O-N 3.1Å; D152-E155 PolarHBondContact OD1-N 2.81Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 2.89Å; E155-R158 PolarHBondContact O-N 3.29Å; E155-R158 IonicContact OE2-CZ 3.63Å; E155-R158 IonicContact OE2-NH1 3.5Å; E155-R158 PolarHBondContact OE2-NH1 3.01Å; E155-S159 WeakPolarHBondContact O-CB 3.47Å; E155-S159 PolarHBondContact O-N 2.91Å; E155-S159 PolarHBondContact OE1-OG 2.77Å
156I92Very high83.7Confident0 Ų058.8 Ų58.80%028%0.278CS..Hα-helixtrans-55.1-50.4174.4-66.4164.5000109.8A133 M134 D152 S159 L160 V232 F271A133-I156 HydrophobicContact CB-CD1 4.29Å; A133-I156 HydrophobicContact CB-CG1 3.57Å; M134-I156 HydrophobicContact CB-CD1 4.47Å; M134-I156 HydrophobicContact CE-CG2 3.31Å; M134-I156 HydrophobicContact CG-CD1 3.75Å; M134-I156 HydrophobicContact CG-CG1 4.02Å; M134-I156 HydrophobicContact CG-CG2 3.93Å; M134-I156 HydrophobicContact SD-CG2 4.44Å; D152-I156 VanDerWaalsContact O-CG1 3.24Å; D152-I156 WeakPolarHBondContact O-CG1 3.46Å; D152-I156 PolarHBondContact O-N 2.84Å; I156-S159 PolarHBondContact O-N 3.38Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 HydrophobicContact CG2-CG 4.37Å; I156-L160 WeakPolarHBondContact O-CB 3.15Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 3.44Å; I156-V232 HydrophobicContact CG2-CG2 3.59Å; I156-F271 HydrophobicContact CD1-CE2 4.02Å; I156-F271 HydrophobicContact CD1-CZ 4.2Å
157R93.1Very high85.1Confident84 Ų8450.5 Ų50.532%0.31724%0.242SC..Hα-helixtrans-63.6-44-179.3-174.3-178.5-62.9152.2-1.3111.7V153 T154 E155 L160 F161 D236V153-R157 VanDerWaalsContact O-CB 3.25Å; V153-R157 WeakPolarHBondContact O-CB 3.41Å; V153-R157 PolarHBondContact O-N 3.39Å; T154-R157 PolarHBondContact O-N 2.8Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 2.89Å; R157-L160 PolarHBondContact O-N 3.04Å; R157-F161 HydrophobicContact CG-CD2 3.68Å; R157-F161 HydrophobicContact CG-CE2 3.26Å; R157-F161 HydrophobicContact CG-CZ 4.04Å; R157-F161 WeakPolarHBondContact O-CB 3.44Å; R157-F161 WeakPolarHBondContact O-CD2 3.41Å; R157-F161 WeakPolarHBondContact O-CG 3.44Å; R157-F161 PolarHBondContact O-N 3.31Å; R157-D236 IonicContact NH2-OD2 3.81Å
158R95.5Very high86.2Confident154 Ų15450.4 Ų50.458%0.58124%0.238SC*.Hα-helixtrans-58.7-48.5176.7-177-173-64.4141.6-0.6111.2T154 E155 F161 A162T154-R158 WeakPolarHBondContact O-CB 3.4Å; T154-R158 PolarHBondContact O-N 3.18Å; E155-R158 PolarHBondContact O-N 3.29Å; E155-R158 IonicContact OE2-CZ 3.63Å; E155-R158 IonicContact OE2-NH1 3.5Å; E155-R158 PolarHBondContact OE2-NH1 3.01Å; R158-F161 PolarHBondContact O-N 3.37Å; R158-A162 PolarHBondContact O-N 3.23Å
159S95.9Very high86.9Confident1 Ų154.3 Ų54.31%0.00726%0.256CS..Hα-helixtrans-67.3-39.6-180-810000112.5H126 V129 E155 I156 A162 C163H126-S159 WeakPolarHBondContact CB-O 3.18Å; V129-S159 WeakPolarHBondContact CG1-OG 3.21Å; E155-S159 WeakPolarHBondContact O-CB 3.47Å; E155-S159 PolarHBondContact O-N 2.91Å; E155-S159 PolarHBondContact OE1-OG 2.77Å; I156-S159 PolarHBondContact O-N 3.38Å; S159-A162 WeakPolarHBondContact O-CB 3.43Å; S159-A162 PolarHBondContact O-N 2.93Å; S159-C163 PolarHBondContact O-N 3.04Å; S159-C163 PolarHBondContact O-SG 3.09Å
160L96.4Very high87.4Confident0 Ų051.9 Ų51.90%024%0.241CC..Hα-helixtrans-67.3-38.1174.5-70.3177000113A130 M134 I156 R157 A162 C163 Q164 V225 L228 L229 V232A130-L160 HydrophobicContact CB-CD2 3.86Å; A130-L160 HydrophobicContact CB-CG 3.99Å; M134-L160 HydrophobicContact CE-CD1 3.73Å; M134-L160 HydrophobicContact CE-CG 4.49Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 HydrophobicContact CG2-CG 4.37Å; I156-L160 WeakPolarHBondContact O-CB 3.15Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 3.44Å; R157-L160 PolarHBondContact O-N 3.04Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-C163 VanDerWaalsContact O-CB 3.3Å; L160-C163 WeakPolarHBondContact O-CB 3.43Å; L160-C163 PolarHBondContact O-N 2.84Å; L160-Q164 PolarHBondContact O-N 3.46Å; L160-V225 HydrophobicContact CD2-CG1 4.39Å; L160-L228 HydrophobicContact CD1-CB 3.93Å; L160-L228 HydrophobicContact CD2-CB 4.03Å; L160-L228 HydrophobicContact CD2-CD1 4.02Å; L160-L229 HydrophobicContact CB-CD2 3.65Å; L160-L229 HydrophobicContact CB-CG 3.94Å; L160-L229 HydrophobicContact CD1-CD2 3.88Å; L160-L229 HydrophobicContact CD1-CG 3.99Å; L160-L229 HydrophobicContact CG-CD2 4.46Å; L160-V232 HydrophobicContact CD1-CG2 4.18Å
161F96.3Very high87.5Confident110 Ų11052.4 Ų52.448%0.48224%0.243SC..Hα-helixtrans-66-36.5173-74.6-45.5000112.2R157 R158 C163 Q164 R165 L229R157-F161 HydrophobicContact CG-CD2 3.68Å; R157-F161 HydrophobicContact CG-CE2 3.26Å; R157-F161 HydrophobicContact CG-CZ 4.04Å; R157-F161 WeakPolarHBondContact O-CB 3.44Å; R157-F161 WeakPolarHBondContact O-CD2 3.41Å; R157-F161 WeakPolarHBondContact O-CG 3.44Å; R157-F161 PolarHBondContact O-N 3.31Å; R158-F161 PolarHBondContact O-N 3.37Å; F161-C163 VanDerWaalsContact C-N 3.31Å; F161-C163 PolarHBondContact O-N 3.34Å; F161-Q164 PolarHBondContact O-N 3.24Å; F161-R165 PolarHBondContact O-N 2.78Å; F161-L229 HydrophobicContact CD1-CD1 4.25Å; F161-L229 HydrophobicContact CD1-CD2 4.28Å; F161-L229 HydrophobicContact CE1-CD1 4.15Å; F161-L229 HydrophobicContact CE1-CD2 4.05Å; F161-L229 HydrophobicContact CZ-CD2 4.35Å
162A95.5Very high86.9Confident14 Ų1455.4 Ų55.412%0.11626%0.258CS..Hα-helixtrans-61.7-40.2171.100000111.5H126 R158 S159 L160 R165 C166H126-A162 HydrophobicContact CB-CB 4.2Å; H126-A162 VanDerWaalsContact CD2-CB 3.48Å; H126-A162 WeakPolarHBondContact CD2-CB 3.29Å; R158-A162 PolarHBondContact O-N 3.23Å; S159-A162 WeakPolarHBondContact O-CB 3.43Å; S159-A162 PolarHBondContact O-N 2.93Å; L160-A162 VanDerWaalsContact C-N 3.33Å; A162-R165 PolarHBondContact O-N 3.4Å; A162-C166 PolarHBondContact O-N 3.49Å; A162-C166 PolarHBondContact O-SG 3.36Å
163C96Very high85.6Confident0 Ų053.8 Ų53.80%025%0.253CS..Hα-helixtrans-59.7-47.5173.3-65.40000111.8F123 L127 S159 L160 F161 R165 C166 L167 V225F123-C163 HydrophobicContact CD2-CB 3.87Å; F123-C163 HydrophobicContact CE2-CB 3.81Å; L127-C163 PolarHBondContact N-SG 3.2Å; S159-C163 PolarHBondContact O-N 3.04Å; S159-C163 PolarHBondContact O-SG 3.09Å; L160-C163 VanDerWaalsContact O-CB 3.3Å; L160-C163 WeakPolarHBondContact O-CB 3.43Å; L160-C163 PolarHBondContact O-N 2.84Å; F161-C163 VanDerWaalsContact C-N 3.31Å; F161-C163 PolarHBondContact O-N 3.34Å; C163-R165 VanDerWaalsContact C-N 3.35Å; C163-R165 PolarHBondContact O-N 3.02Å; C163-C166 PolarHBondContact O-N 2.85Å; C163-L167 WeakPolarHBondContact O-CG 3.35Å; C163-L167 PolarHBondContact O-N 2.92Å; C163-V225 HydrophobicContact CB-CG1 4.18Å; C163-V225 HydrophobicContact CB-CG2 4.03Å
164Q93.7Very high84.1Confident79 Ų7961 Ų6137%0.36928%0.282SS..Hα-helixtrans-58-46.9178.8-175.4175.6-1100111.5L160 F161 C166 L167 E168 V225L160-Q164 PolarHBondContact O-N 3.46Å; F161-Q164 PolarHBondContact O-N 3.24Å; Q164-C166 VanDerWaalsContact C-N 3.34Å; Q164-C166 PolarHBondContact O-N 2.68Å; Q164-L167 PolarHBondContact O-N 3.3Å; Q164-L167 VanDerWaalsContact O-N 3.16Å; Q164-E168 PolarHBondContact O-N 3.09Å; Q164-E168 VanDerWaalsContact O-N 3.16Å; Q164-V225 HydrophobicContact CB-CG1 4.45Å
165R92.3Very high82.4Confident161 Ų16163.9 Ų63.961%0.60829%0.29SS*.Hα-helixtrans-60.4-41.2175.7-172.1-179.966.4171.21.2112.3F161 A162 C163 L167 E168 H169F161-R165 PolarHBondContact O-N 2.78Å; A162-R165 PolarHBondContact O-N 3.4Å; C163-R165 VanDerWaalsContact C-N 3.35Å; C163-R165 PolarHBondContact O-N 3.02Å; R165-L167 VanDerWaalsContact C-N 3.33Å; R165-L167 PolarHBondContact O-N 2.76Å; R165-E168 PolarHBondContact O-N 3.31Å; R165-H169 PolarHBondContact O-CD2 3.29Å
166C91.3Very high80.5Confident5 Ų562.8 Ų62.83%0.03429%0.286CS..Hα-helixtrans-62.8-41.4176.2-63.10000111.1F123 A162 C163 Q164 E168 H169 L170F123-C166 HydrophobicContact CB-CB 3.8Å; F123-C166 HydrophobicContact CD2-CB 4.32Å; A162-C166 PolarHBondContact O-N 3.49Å; A162-C166 PolarHBondContact O-SG 3.36Å; C163-C166 PolarHBondContact O-N 2.85Å; Q164-C166 VanDerWaalsContact C-N 3.34Å; Q164-C166 PolarHBondContact O-N 2.68Å; C166-E168 VanDerWaalsContact C-N 3.31Å; C166-E168 PolarHBondContact O-N 3.28Å; C166-H169 PolarHBondContact O-N 3.02Å; C166-L170 HydrophobicContact CB-CD1 4.3Å; C166-L170 WeakPolarHBondContact O-CD1 3.25Å; C166-L170 WeakPolarHBondContact O-CG 3.38Å; C166-L170 PolarHBondContact O-N 2.74Å
167L88.8Confident78.5Confident0 Ų070.5 Ų70.50%032%0.322CS..Hα-helixtrans-70.3-20.6-179.1-70174.5000114.8F123 C163 Q164 R165 H169 Y171 L221 R222 V225F123-L167 HydrophobicContact CD2-CD1 4.28Å; F123-L167 HydrophobicContact CD2-CD2 3.94Å; F123-L167 HydrophobicContact CD2-CG 3.75Å; F123-L167 HydrophobicContact CE2-CD1 3.57Å; F123-L167 HydrophobicContact CE2-CD2 3.68Å; F123-L167 HydrophobicContact CE2-CG 3.51Å; F123-L167 HydrophobicContact CZ-CD1 4.25Å; F123-L167 HydrophobicContact CZ-CD2 4.06Å; F123-L167 HydrophobicContact CZ-CG 4.33Å; C163-L167 WeakPolarHBondContact O-CG 3.35Å; C163-L167 PolarHBondContact O-N 2.92Å; Q164-L167 PolarHBondContact O-N 3.3Å; Q164-L167 VanDerWaalsContact O-N 3.16Å; R165-L167 VanDerWaalsContact C-N 3.33Å; R165-L167 PolarHBondContact O-N 2.76Å; L167-H169 PolarHBondContact O-N 2.82Å; L167-Y171 HydrophobicContact CD2-CD2 3.58Å; L167-Y171 HydrophobicContact CD2-CE2 3.5Å; L167-L221 HydrophobicContact CD1-CB 4.29Å; L167-L221 HydrophobicContact CD2-CB 4.11Å; L167-R222 HydrophobicContact CD1-CB 4.06Å; L167-R222 PolarHBondContact O-NH2 3.07Å; L167-V225 HydrophobicContact CD1-CG2 4.14Å
168E82.8Confident76.6Confident102 Ų10276.1 Ų76.148%0.47734%0.343SS..Hα-helixtrans-67.5-27.2174.2-75.5173.3-178.400112.2Q164 R165 C166 T172Q164-E168 PolarHBondContact O-N 3.09Å; Q164-E168 VanDerWaalsContact O-N 3.16Å; R165-E168 PolarHBondContact O-N 3.31Å; C166-E168 VanDerWaalsContact C-N 3.31Å; C166-E168 PolarHBondContact O-N 3.28Å; E168-T172 PolarHBondContact O-OG1 3.37Å
169H73.7Confident74.7Confident122 Ų12272 Ų7257%0.56533%0.331SS*.Hα-helixtrans-101.3-15.3-176.8-61.1-60.3000114.6R165 C166 L167R165-H169 PolarHBondContact O-CD2 3.29Å; C166-H169 PolarHBondContact O-N 3.02Å; L167-H169 PolarHBondContact O-N 2.82Å
170L71.2Confident72.8Confident6 Ų676.1 Ų76.13%0.03136%0.358CS..Hα-helixtrans-97.9-34.1-165.3-75.4176.4000115.8G116 N119 R120 F123 C166G116-L170 WeakPolarHBondContact O-CD2 3.35Å; N119-L170 HydrophobicContact CB-CD1 4.2Å; N119-L170 HydrophobicContact CB-CD2 3.66Å; N119-L170 HydrophobicContact CB-CG 4Å; R120-L170 HydrophobicContact CG-CD1 3.92Å; R120-L170 HydrophobicContact CG-CD2 3.59Å; R120-L170 HydrophobicContact CG-CG 4.35Å; F123-L170 HydrophobicContact CB-CD1 4.32Å; C166-L170 HydrophobicContact CB-CD1 4.3Å; C166-L170 WeakPolarHBondContact O-CD1 3.25Å; C166-L170 WeakPolarHBondContact O-CG 3.38Å; C166-L170 PolarHBondContact O-N 2.74Å
171Y69.4Low71Confident13 Ų1380.7 Ų80.75%0.05139%0.39CS..SBendtrans-132.819.9-168.4-53.6-60.3000112.4T5 L167 L214 L221T5-Y171 WeakPolarHBondContact CG2-OH 3.47Å; T5-Y171 PolarHBondContact OG1-OH 3.2Å; L167-Y171 HydrophobicContact CD2-CD2 3.58Å; L167-Y171 HydrophobicContact CD2-CE2 3.5Å; Y171-L214 HydrophobicContact CD1-CD1 4.08Å; Y171-L214 HydrophobicContact CD1-CD2 4.19Å; Y171-L214 HydrophobicContact CD1-CG 3.71Å; Y171-L214 HydrophobicContact CE1-CD1 3.55Å; Y171-L214 HydrophobicContact CE1-CD2 4.13Å; Y171-L214 HydrophobicContact CE1-CG 3.69Å; Y171-L221 HydrophobicContact CE2-CD1 4.26Å
172T58.4Low69.4Low79 Ų7980.1 Ų80.149%0.48540%0.398SS..  trans-109.7-1.617752.90000111.6E168E168-T172 PolarHBondContact O-OG1 3.37Å
173S55.1Low68Low46 Ų4680 Ų8032%0.32240%0.396SS..  trans-72.2140.3-177.291.90000110.1E175 D176S173-E175 PolarHBondContact O-N 3.39Å; S173-D176 PolarHBondContact O-N 3.01Å; S173-D176 VanDerWaalsContact OG-CG 3.27Å; S173-D176 PolarHBondContact OG-N 3.43Å; S173-D176 PolarHBondContact OG-OD2 2.74Å
174K52Low66.7Low178 Ų17884.5 Ų84.577%0.77442%0.42SS*.THydrogen-bonded Turntrans-65-16.1175.6-69-175.7175.8-177.20113
175E50.1Low65.7Low138 Ų13881.5 Ų81.565%0.64541%0.406SS*.THydrogen-bonded Turntrans-75-28.1178.5-63-161.5147.800112S173 E177 R178S173-E175 PolarHBondContact O-N 3.39Å; E175-E177 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 3.18Å; E175-R178 WeakPolarHBondContact O-CB 3.5Å; E175-R178 PolarHBondContact O-N 2.85Å; E175-R178 VanDerWaalsContact O-N 3.14Å
176D51.5Low64.6Low27 Ų2778.5 Ų78.514%0.14441%0.41CS..G310 helixtrans-70.2-23.2179.1-62.3-50.3000112.8S173 R178 M179S173-D176 PolarHBondContact O-N 3.01Å; S173-D176 VanDerWaalsContact OG-CG 3.27Å; S173-D176 PolarHBondContact OG-N 3.43Å; S173-D176 PolarHBondContact OG-OD2 2.74Å; D176-R178 PolarHBondContact O-N 3.05Å; D176-M179 PolarHBondContact O-N 3.2Å
177E50.4Low63.6Low162 Ų16281.6 Ų81.676%0.75744%0.436SS*.G310 helixtrans-67.6-12.4172.8-66.7-175.7166.300112.9E175E175-E177 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 3.18Å
178R51.6Low62.9Low202 Ų20285.3 Ų85.376%0.76245%0.45SS*.G310 helixtrans-85.3-13.6178-62.8-177.4178.5170.41.4113.8E175 D176E175-R178 WeakPolarHBondContact O-CB 3.5Å; E175-R178 PolarHBondContact O-N 2.85Å; E175-R178 VanDerWaalsContact O-N 3.14Å; D176-R178 PolarHBondContact O-N 3.05Å
179M56.1Low62.7Low67 Ų6788.1 Ų88.133%0.3347%0.469SS..SBendtrans-67.4128.4172.6-101-165.5163.100108.9D176 S181D176-M179 PolarHBondContact O-N 3.2Å; M179-S181 PolarHBondContact O-N 3.48Å
180P55.9Low62.9Low87 Ų8784.8 Ų84.857%0.56545%0.453SS*.  trans-57.3143.2172.822.2-29.8000109.9P182 P183P180-P182 CarbonylContact C-O 3.56Å; P180-P182 CarbonylContact O-C 3.59Å; P180-P182 VanDerWaalsContact O-O 3.1Å; P180-P183 VanDerWaalsContact O-CA 3.28Å; P180-P183 WeakPolarHBondContact O-CA 3.39Å; P180-P183 VanDerWaalsContact O-N 3.13Å
181S59.4Low63.3Low97 Ų9785.5 Ų85.568%0.67846%0.456SS*.SBendtrans-111.9116.4172.2340000107.9M179M179-S181 PolarHBondContact O-N 3.48Å
182P62.8Low63.4Low98 Ų9887.4 Ų87.464%0.63647%0.472SS*.SBendcis-71.4152.80.730.3-34.8000113.2P180 D184P180-P182 CarbonylContact C-O 3.56Å; P180-P182 CarbonylContact O-C 3.59Å; P180-P182 VanDerWaalsContact O-O 3.1Å; P182-D184 PolarHBondContact O-N 3.05Å
183P66.3Low63.6Low12 Ų1288.6 Ų88.68%0.07848%0.48CS..  trans-64.8131.7175.327.8-32.1000109.5I6 P180 L185 F211I6-P183 HydrophobicContact CD1-CG 4.31Å; I6-P183 HydrophobicContact CG2-CG 4.3Å; P180-P183 VanDerWaalsContact O-CA 3.28Å; P180-P183 WeakPolarHBondContact O-CA 3.39Å; P180-P183 VanDerWaalsContact O-N 3.13Å; P183-L185 VanDerWaalsContact C-N 3.33Å; P183-L185 HydrophobicContact CB-CD2 4.24Å; P183-L185 HydrophobicContact CG-CD2 4.33Å; P183-L185 HydrophobicContact CG-CG 4.38Å; P183-L185 PolarHBondContact O-N 2.94Å; P183-F211 VanDerWaalsContact CD-O 3.24Å; P183-F211 WeakPolarHBondContact CD-O 3.3Å; P183-F211 HydrophobicContact CG-CB 4.08Å
184D68.6Low63.5Low94 Ų9489.9 Ų89.950%0.50349%0.489SS..  trans-72.490.4171.1-177.110.8000109.8P182 S186P182-D184 PolarHBondContact O-N 3.05Å; D184-S186 VanDerWaalsContact OD1-CB 3.27Å; D184-S186 WeakPolarHBondContact OD1-CB 3.43Å; D184-S186 PolarHBondContact OD1-N 3.4Å; D184-S186 PolarHBondContact OD1-OG 3.34Å
185L71.8Confident63.3Low15 Ų1589.2 Ų89.28%0.07949%0.488CS..G310 helixtrans-75.7-14.6175.8-61.7-175.1000112.5V3 T7 P183 A187 Y188 I191 F211V3-L185 HydrophobicContact CG1-CD2 3.97Å; V3-L185 HydrophobicContact CG2-CD2 4.3Å; T7-L185 HydrophobicContact CG2-CD1 4.38Å; P183-L185 VanDerWaalsContact C-N 3.33Å; P183-L185 HydrophobicContact CB-CD2 4.24Å; P183-L185 HydrophobicContact CG-CD2 4.33Å; P183-L185 HydrophobicContact CG-CG 4.38Å; P183-L185 PolarHBondContact O-N 2.94Å; L185-A187 PolarHBondContact O-N 2.87Å; L185-Y188 HydrophobicContact CD2-CD2 4.41Å; L185-Y188 HydrophobicContact CD2-CE2 4.38Å; L185-Y188 PolarHBondContact O-N 3.48Å; L185-I191 HydrophobicContact CB-CG2 4.41Å; L185-F211 HydrophobicContact CD1-CB 4.14Å; L185-F211 HydrophobicContact CD1-CD1 3.83Å; L185-F211 HydrophobicContact CD1-CD2 3.64Å; L185-F211 HydrophobicContact CD1-CE1 4.11Å; L185-F211 HydrophobicContact CD1-CE2 3.93Å; L185-F211 HydrophobicContact CD1-CG 3.58Å; L185-F211 HydrophobicContact CD1-CZ 4.15Å
186S68.9Low62.9Low99 Ų9986.3 Ų86.369%0.69248%0.483SS*.G310 helixtrans-69.7-21.2-178.578.30000112.8D184 Y188D184-S186 VanDerWaalsContact OD1-CB 3.27Å; D184-S186 WeakPolarHBondContact OD1-CB 3.43Å; D184-S186 PolarHBondContact OD1-N 3.4Å; D184-S186 PolarHBondContact OD1-OG 3.34Å; S186-Y188 PolarHBondContact O-N 3.28Å
187A71.5Confident62.2Low70 Ų7090.1 Ų90.158%0.57951%0.512SS*.G310 helixtrans-66.6-13.5174.100000113.9L185L185-A187 PolarHBondContact O-N 2.87Å
188Y74Confident61.4Low77 Ų7787 Ų8730%0.30250%0.498SS..  trans-98.9111.3-178.8-63.5-75.5000111.7V3 L185 S186 F190 I191V3-Y188 HydrophobicContact CG2-CD2 3.96Å; V3-Y188 HydrophobicContact CG2-CE1 4.28Å; V3-Y188 HydrophobicContact CG2-CE2 3.63Å; V3-Y188 HydrophobicContact CG2-CG 4.41Å; L185-Y188 HydrophobicContact CD2-CD2 4.41Å; L185-Y188 HydrophobicContact CD2-CE2 4.38Å; L185-Y188 PolarHBondContact O-N 3.48Å; S186-Y188 PolarHBondContact O-N 3.28Å; Y188-F190 HydrophobicContact CD1-CD1 4.49Å; Y188-F190 AromaticContact CD1-CE1 3.43Å; Y188-F190 HydrophobicContact CD1-CE1 3.43Å; Y188-F190 VanDerWaalsContact CD1-CE1 3.43Å; Y188-F190 HydrophobicContact CD1-CE2 4.5Å; Y188-F190 AromaticContact CD1-CZ 3.42Å; Y188-F190 HydrophobicContact CD1-CZ 3.42Å; Y188-F190 VanDerWaalsContact CD1-CZ 3.42Å; Y188-F190 HydrophobicContact CE1-CE1 4.37Å; Y188-F190 HydrophobicContact CE1-CZ 4.19Å; Y188-F190 AromaticContact CG-CE1 3.92Å; Y188-F190 HydrophobicContact CG-CE1 3.92Å; Y188-F190 HydrophobicContact CG-CE2 4.36Å; Y188-F190 AromaticContact CG-CZ 3.66Å; Y188-F190 HydrophobicContact CG-CZ 3.66Å; Y188-F190 PolarHBondContact O-N 2.93Å; Y188-I191 PolarHBondContact O-N 3.41Å
189N77.4Confident60.4Low162 Ų16287.1 Ų87.187%0.86651%0.505SS*.THydrogen-bonded Turntrans-58.3-17.4177.6-65.4-14.7000114.9
190F77.5Confident59.5Low52 Ų5289.1 Ų89.123%0.22852%0.52CS..THydrogen-bonded Turntrans-92.40.9177.262.1-99.9000113.3V3 L25 Y26 Y188V3-F190 HydrophobicContact CB-CE2 4.25Å; V3-F190 HydrophobicContact CB-CZ 4.49Å; V3-F190 HydrophobicContact CG1-CE2 4.09Å; V3-F190 HydrophobicContact CG2-CE2 4.48Å; V3-F190 HydrophobicContact CG2-CZ 4.28Å; L25-F190 WeakPolarHBondContact CB-O 3.44Å; L25-F190 VanDerWaalsContact CG-O 3.31Å; L25-F190 WeakPolarHBondContact CG-O 3.37Å; L25-F190 PolarHBondContact N-O 3.45Å; Y26-F190 HydrophobicContact CD2-CB 4.09Å; Y26-F190 AromaticContact CD2-CD2 3.94Å; Y26-F190 HydrophobicContact CD2-CD2 3.94Å; Y26-F190 AromaticContact CD2-CG 3.98Å; Y26-F190 HydrophobicContact CD2-CG 3.98Å; Y26-F190 HydrophobicContact CE2-CB 3.7Å; Y26-F190 AromaticContact CE2-CD1 3.81Å; Y26-F190 HydrophobicContact CE2-CD1 3.81Å; Y26-F190 AromaticContact CE2-CD2 3.91Å; Y26-F190 HydrophobicContact CE2-CD2 3.91Å; Y26-F190 HydrophobicContact CE2-CE1 4.42Å; Y26-F190 AromaticContact CE2-CG 3.53Å; Y26-F190 HydrophobicContact CE2-CG 3.53Å; Y188-F190 HydrophobicContact CD1-CD1 4.49Å; Y188-F190 AromaticContact CD1-CE1 3.43Å; Y188-F190 HydrophobicContact CD1-CE1 3.43Å; Y188-F190 VanDerWaalsContact CD1-CE1 3.43Å; Y188-F190 HydrophobicContact CD1-CE2 4.5Å; Y188-F190 AromaticContact CD1-CZ 3.42Å; Y188-F190 HydrophobicContact CD1-CZ 3.42Å; Y188-F190 VanDerWaalsContact CD1-CZ 3.42Å; Y188-F190 HydrophobicContact CE1-CE1 4.37Å; Y188-F190 HydrophobicContact CE1-CZ 4.19Å; Y188-F190 AromaticContact CG-CE1 3.92Å; Y188-F190 HydrophobicContact CG-CE1 3.92Å; Y188-F190 HydrophobicContact CG-CE2 4.36Å; Y188-F190 AromaticContact CG-CZ 3.66Å; Y188-F190 HydrophobicContact CG-CZ 3.66Å; Y188-F190 PolarHBondContact O-N 2.93Å
191I80.5Confident58.4Low21 Ų2187.6 Ų87.611%0.10852%0.52CS..BIsolated β-bridgetrans-97.5112.8169.1-62.8-67.7000106.8V3 T23 N24 L185 Y188V3-I191 HydrophobicContact CG1-CD1 3.43Å; V3-I191 VanDerWaalsContact CG1-CD1 3.43Å; V3-I191 HydrophobicContact CG1-CG1 3.93Å; T23-I191 CarbonylContact O-C 3.17Å; T23-I191 WeakPolarHBondContact O-CA 3.35Å; N24-I191 HydrophobicContact CB-CD1 4.05Å; L185-I191 HydrophobicContact CB-CG2 4.41Å; Y188-I191 PolarHBondContact O-N 3.41Å
192S71.9Confident57.5Low53 Ų5391.3 Ų91.337%0.37153%0.533SS..  trans-61.9131.1169.7-173.20000108.1T23 C194T23-S192 PolarHBondContact O-N 2.93Å; S192-C194 PolarHBondContact O-N 3.04Å
193P62.8Low56.2Low103 Ų10392.5 Ų92.567%0.66953%0.534SS*.  trans-51.9129162.9-19.530.5000107.6E195P193-E195 PolarHBondContact O-N 2.69Å
194C53.3Low54.9Low74 Ų7497.3 Ų97.350%0.556%0.557SS.*  trans-6882.2164.4-74.40000107.4E19 T23 S192 S196E19-C194 PolarHBondContact O-SG 3.49Å; T23-C194 WeakPolarHBondContact CG2-SG 3.31Å; S192-C194 PolarHBondContact O-N 3.04Å; C194-S196 PolarHBondContact O-N 3.42Å
195E46Very low53.5Low164 Ų164101.5 Ų101.577%0.76657%0.571SS**  trans-63.3121.5146.7-67.4-174.2-177.900104.4P193 S197P193-E195 PolarHBondContact O-N 2.69Å; E195-S197 PolarHBondContact O-N 3.08Å
196S42.9Very low51.9Low77 Ų77104.9 Ų104.954%0.53860%0.596SS.*  trans-60.978.7173.742.60000109C194 M198C194-S196 PolarHBondContact O-N 3.42Å; S196-M198 PolarHBondContact O-N 3.06Å
197S35.9Very low50.9Low107 Ų107103.8 Ų103.875%0.74859%0.588SS**  trans-757-176.763.10000112E195E195-S197 PolarHBondContact O-N 3.08Å
198M34.4Very low50Low95 Ų95107.7 Ų107.747%0.46860%0.598SS.*  trans-97.971.5158.2-70.5-151.7153.500111.1S196 V200 M204S196-M198 PolarHBondContact O-N 3.06Å; M198-V200 PolarHBondContact O-N 3.35Å; M198-M204 HydrophobicContact SD-CE 3.97Å
199K31.2Very low49.5Very low205 Ų205105.2 Ų105.289%0.89159%0.591SS**  trans-72.825.8143.3-80.7-175.1175.2176.40111.7G201K199-G201 PolarHBondContact O-N 3.44Å
200V37.2Very low49.1Very low109 Ų109105.6 Ų105.666%0.66159%0.588SS**SBendtrans-94.394.5173.6-175.80000107M198M198-V200 PolarHBondContact O-N 3.35Å
201G31.2Very low49.1Very low55 Ų55105 Ų10557%0.56759%0.585SS**SBendtrans93.4107.417300000113.4K199 N203K199-G201 PolarHBondContact O-N 3.44Å; G201-N203 PolarHBondContact O-N 2.87Å
202N41Very low49Very low175 Ų175105.1 Ų105.194%0.93659%0.591SS**THydrogen-bonded Turntrans-61.922.2-171.9-117.46.7000117.5
203N35.6Very low49.6Very low123 Ų123103.1 Ų103.166%0.65858%0.578SS**THydrogen-bonded Turntrans-145.114.2-174.9-98.94.2000116.3G201 F205G201-N203 PolarHBondContact O-N 2.87Å; N203-F205 PolarHBondContact O-N 2.9Å
204M40.2Very low50.5Low114 Ų11498.4 Ų98.456%0.56255%0.547SS*.  trans-81.7108.9162.6-68.3-144.8-80.100107.6M198 S206M198-M204 HydrophobicContact SD-CE 3.97Å; M204-S206 PolarHBondContact O-N 2.82Å
205F38.6Very low52Low182 Ų18295.8 Ų95.880%0.79853%0.53SS*.  trans-49.2114.9163-79.5-88.4000106.7N203 S207N203-F205 PolarHBondContact O-N 2.9Å; F205-S207 PolarHBondContact O-N 3.4Å
206S38.1Very low53.8Low86 Ų8690.8 Ų90.860%0.60151%0.509SS*.  trans-62.591.1168.3177.80000105.4M204 L208M204-S206 PolarHBondContact O-N 2.82Å; S206-L208 PolarHBondContact O-N 3.44Å
207S48Very low56Low75 Ų7587.2 Ų87.252%0.52448%0.484SS..  trans-63.1108.5168.156.40000104.8F205 V209F205-S207 PolarHBondContact O-N 3.4Å; S207-V209 PolarHBondContact O-N 3.17Å
208L53Low58.5Low152 Ų15282.1 Ų82.180%0.79645%0.449SS*.  trans-53113.2173.4-137.3134.6000106.3S206 E210S206-L208 PolarHBondContact O-N 3.44Å; L208-E210 PolarHBondContact O-N 3.37Å
209V63.1Low61Low26 Ų2683.6 Ų83.616%0.15845%0.452CS..  trans-68103.8-176.3173.70000107.8A10 C15 E19 S207 F211A10-V209 HydrophobicContact CB-CG1 4.37Å; C15-V209 HydrophobicContact CB-CG1 4.15Å; C15-V209 HydrophobicContact CB-CG2 4.24Å; E19-V209 HydrophobicContact CB-CG2 3.91Å; S207-V209 PolarHBondContact O-N 3.17Å; V209-F211 HydrophobicContact CB-CE2 4.34Å; V209-F211 HydrophobicContact CB-CZ 4.42Å; V209-F211 HydrophobicContact CG1-CD1 4.26Å; V209-F211 HydrophobicContact CG1-CD2 4.28Å; V209-F211 HydrophobicContact CG1-CE1 3.81Å; V209-F211 HydrophobicContact CG1-CE2 3.84Å; V209-F211 HydrophobicContact CG1-CG 4.49Å; V209-F211 HydrophobicContact CG1-CZ 3.6Å; V209-F211 PolarHBondContact O-N 2.99Å
210E68.1Low63.8Low169 Ų16975.8 Ų75.879%0.7942%0.418SS*.  trans-80.1101.6175.4-70.4-171.4174.500110L208 G212L208-E210 PolarHBondContact O-N 3.37Å; E210-G212 PolarHBondContact O-N 3.41Å
211F78.2Confident66.4Low39 Ų3970.6 Ų70.617%0.17139%0.386CS..PPolyproline II helixtrans-72.1121.7170-63.3-75.5000109.8I6 T7 A10 P183 L185 V209I6-F211 HydrophobicContact CG2-CB 3.89Å; I6-F211 HydrophobicContact CG2-CD1 3.99Å; I6-F211 HydrophobicContact CG2-CG 4.35Å; T7-F211 HydrophobicContact CG2-CD1 4.41Å; T7-F211 HydrophobicContact CG2-CE1 3.84Å; A10-F211 HydrophobicContact CB-CD1 3.9Å; A10-F211 HydrophobicContact CB-CE1 4.01Å; P183-F211 VanDerWaalsContact CD-O 3.24Å; P183-F211 WeakPolarHBondContact CD-O 3.3Å; P183-F211 HydrophobicContact CG-CB 4.08Å; L185-F211 HydrophobicContact CD1-CB 4.14Å; L185-F211 HydrophobicContact CD1-CD1 3.83Å; L185-F211 HydrophobicContact CD1-CD2 3.64Å; L185-F211 HydrophobicContact CD1-CE1 4.11Å; L185-F211 HydrophobicContact CD1-CE2 3.93Å; L185-F211 HydrophobicContact CD1-CG 3.58Å; L185-F211 HydrophobicContact CD1-CZ 4.15Å; V209-F211 HydrophobicContact CB-CE2 4.34Å; V209-F211 HydrophobicContact CB-CZ 4.42Å; V209-F211 HydrophobicContact CG1-CD1 4.26Å; V209-F211 HydrophobicContact CG1-CD2 4.28Å; V209-F211 HydrophobicContact CG1-CE1 3.81Å; V209-F211 HydrophobicContact CG1-CE2 3.84Å; V209-F211 HydrophobicContact CG1-CG 4.49Å; V209-F211 HydrophobicContact CG1-CZ 3.6Å; V209-F211 PolarHBondContact O-N 2.99Å
212G78.9Confident69.3Low24 Ų2472.4 Ų72.425%0.24738%0.376CS..PPolyproline II helixtrans-74.4167.4173.200000112.5I6 E210I6-G212 WeakPolarHBondContact CG2-O 3.49Å; E210-G212 PolarHBondContact O-N 3.41Å
213S83.4Confident71.6Confident12 Ų1267.7 Ų67.78%0.08435%0.345CS..PPolyproline II helixtrans-64.5163.3171.671.30000111.7A215 D216 A217S213-A215 PolarHBondContact O-N 3.16Å; S213-A215 PolarHBondContact OG-N 3.2Å; S213-D216 PolarHBondContact N-OD2 2.97Å; S213-D216 PolarHBondContact O-N 3.47Å; S213-D216 VanDerWaalsContact O-N 3.16Å; S213-D216 PolarHBondContact OG-N 3.27Å; S213-D216 PolarHBondContact OG-OD2 3.4Å; S213-A217 PolarHBondContact O-N 3.16Å
214L83.3Confident74.3Confident3 Ų362 Ų622%0.01632%0.315CS..Hα-helixtrans-60-34.9172.8-169.762.9000111.8D2 T5 I6 Y171 A217 G218D2-L214 HydrophobicContact CB-CD1 3.85Å; D2-L214 HydrophobicContact CB-CD2 3.97Å; T5-L214 HydrophobicContact CG2-CD1 4.29Å; I6-L214 HydrophobicContact CD1-CB 4.33Å; I6-L214 HydrophobicContact CD1-CD1 4.28Å; I6-L214 HydrophobicContact CG1-CD1 4.05Å; Y171-L214 HydrophobicContact CD1-CD1 4.08Å; Y171-L214 HydrophobicContact CD1-CD2 4.19Å; Y171-L214 HydrophobicContact CD1-CG 3.71Å; Y171-L214 HydrophobicContact CE1-CD1 3.55Å; Y171-L214 HydrophobicContact CE1-CD2 4.13Å; Y171-L214 HydrophobicContact CE1-CG 3.69Å; L214-A217 PolarHBondContact O-N 3.4Å; L214-G218 PolarHBondContact O-N 3.19Å
215A83.7Confident76.9Confident19 Ų1956.7 Ų56.716%0.15729%0.289CS..Hα-helixtrans-64.2-41.9175.200000111.9S213 G218 K219S213-A215 PolarHBondContact O-N 3.16Å; S213-A215 PolarHBondContact OG-N 3.2Å; A215-G218 PolarHBondContact O-N 3.29Å; A215-K219 WeakPolarHBondContact O-CG 3.21Å; A215-K219 PolarHBondContact O-N 3.36Å
216D84.6Confident79.4Confident59 Ų5949.9 Ų49.932%0.31627%0.27SS..Hα-helixtrans-69.1-36.4177.1-59.8-39.7000111.8S213 G218 K219 Y220S213-D216 PolarHBondContact N-OD2 2.97Å; S213-D216 PolarHBondContact O-N 3.47Å; S213-D216 VanDerWaalsContact O-N 3.16Å; S213-D216 PolarHBondContact OG-N 3.27Å; S213-D216 PolarHBondContact OG-OD2 3.4Å; D216-G218 VanDerWaalsContact C-N 3.33Å; D216-K219 PolarHBondContact O-N 2.86Å; D216-K219 IonicContact OD1-NZ 3.5Å; D216-K219 PolarHBondContact OD1-NZ 3.46Å; D216-Y220 WeakPolarHBondContact O-CB 3.35Å; D216-Y220 PolarHBondContact O-N 3.25Å
217A87.4Confident82Confident3 Ų346.7 Ų46.73%0.02525%0.246CC..Hα-helixtrans-60.8-43.7171.100000111.4T5 V9 S213 L214 Y220 L221T5-A217 HydrophobicContact CG2-CB 4.03Å; V9-A217 HydrophobicContact CB-CB 4.1Å; V9-A217 HydrophobicContact CG1-CB 4.34Å; V9-A217 HydrophobicContact CG2-CB 3.87Å; S213-A217 PolarHBondContact O-N 3.16Å; L214-A217 PolarHBondContact O-N 3.4Å; A217-Y220 PolarHBondContact O-N 3.33Å; A217-L221 VanDerWaalsContact O-CG 3.32Å; A217-L221 WeakPolarHBondContact O-CG 3.41Å; A217-L221 PolarHBondContact O-N 3.32Å
218G89.2Confident84.1Confident0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-62.6-43.817500000113.9L214 A215 D216 L221 R222L214-G218 PolarHBondContact O-N 3.19Å; A215-G218 PolarHBondContact O-N 3.29Å; D216-G218 VanDerWaalsContact C-N 3.33Å; G218-L221 PolarHBondContact O-N 3.01Å; G218-R222 WeakPolarHBondContact O-CB 3.42Å; G218-R222 PolarHBondContact O-N 2.75Å
219K87.8Confident86Confident125 Ų12537.4 Ų37.454%0.54319%0.191SC..Hα-helixtrans-59.7-45.8174.4-71.2171.5-167.6161.60111.1A215 D216 R222 R223A215-K219 WeakPolarHBondContact O-CG 3.21Å; A215-K219 PolarHBondContact O-N 3.36Å; D216-K219 PolarHBondContact O-N 2.86Å; D216-K219 IonicContact OD1-NZ 3.5Å; D216-K219 PolarHBondContact OD1-NZ 3.46Å; K219-R222 PolarHBondContact O-N 2.85Å; K219-R223 WeakPolarHBondContact O-CB 3.44Å; K219-R223 PolarHBondContact O-N 3.39Å
220Y88.3Confident87.1Confident41 Ų4137.9 Ų37.916%0.16120%0.195CC..Hα-helixtrans-59.9-49.7177.4-178.4-93.7000111.8V9 L12 K13 D216 A217 R222 R223 M224 C261V9-Y220 HydrophobicContact CB-CD1 4.42Å; V9-Y220 HydrophobicContact CG1-CD1 3.64Å; V9-Y220 HydrophobicContact CG1-CE1 4.28Å; V9-Y220 HydrophobicContact CG1-CG 3.83Å; V9-Y220 HydrophobicContact CG2-CD1 4.08Å; L12-Y220 HydrophobicContact CB-CE1 3.79Å; L12-Y220 HydrophobicContact CD1-CE1 4.19Å; L12-Y220 PolarHBondContact O-OH 3.13Å; K13-Y220 HydrophobicContact CG-CD2 4.22Å; K13-Y220 HydrophobicContact CG-CE2 3.85Å; D216-Y220 WeakPolarHBondContact O-CB 3.35Å; D216-Y220 PolarHBondContact O-N 3.25Å; A217-Y220 PolarHBondContact O-N 3.33Å; Y220-R222 PolarHBondContact O-N 3.39Å; Y220-R223 PolarHBondContact O-N 2.88Å; Y220-M224 WeakPolarHBondContact O-CB 3.45Å; Y220-M224 PolarHBondContact O-N 2.84Å; Y220-C261 HydrophobicContact CE2-CB 4.37Å; Y220-C261 WeakPolarHBondContact OH-CB 3.21Å
221L92.7Very high88Confident0 Ų029.9 Ų29.90%016%0.158CC..Hα-helixtrans-62.9-40.8178.9-70.4174.3000112.3T5 V9 L12 F123 L167 Y171 A217 G218 R223 M224 V225T5-L221 HydrophobicContact CG2-CD1 3.92Å; V9-L221 HydrophobicContact CG2-CD1 4.26Å; V9-L221 HydrophobicContact CG2-CD2 4.06Å; V9-L221 HydrophobicContact CG2-CG 3.91Å; L12-L221 HydrophobicContact CD1-CD2 4.47Å; F123-L221 HydrophobicContact CE1-CD1 3.85Å; F123-L221 HydrophobicContact CE1-CD2 4.36Å; F123-L221 HydrophobicContact CZ-CB 4.11Å; F123-L221 HydrophobicContact CZ-CD1 4.06Å; F123-L221 HydrophobicContact CZ-CD2 4.21Å; F123-L221 HydrophobicContact CZ-CG 4.36Å; L167-L221 HydrophobicContact CD1-CB 4.29Å; L167-L221 HydrophobicContact CD2-CB 4.11Å; Y171-L221 HydrophobicContact CE2-CD1 4.26Å; A217-L221 VanDerWaalsContact O-CG 3.32Å; A217-L221 WeakPolarHBondContact O-CG 3.41Å; A217-L221 PolarHBondContact O-N 3.32Å; G218-L221 PolarHBondContact O-N 3.01Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.26Å; L221-M224 HydrophobicContact CD2-CE 3.67Å; L221-M224 PolarHBondContact O-N 3.48Å; L221-V225 WeakPolarHBondContact O-CG2 3.31Å; L221-V225 PolarHBondContact O-N 3.09Å
222R92Very high88.3Confident93 Ų9328.1 Ų28.135%0.35115%0.15SC..Hα-helixtrans-60.5-45.3176-174.6-179.7-63.6140.55.7111.4L167 G218 K219 Y220 V225 G226L167-R222 HydrophobicContact CD1-CB 4.06Å; L167-R222 PolarHBondContact O-NH2 3.07Å; G218-R222 WeakPolarHBondContact O-CB 3.42Å; G218-R222 PolarHBondContact O-N 2.75Å; K219-R222 PolarHBondContact O-N 2.85Å; Y220-R222 PolarHBondContact O-N 3.39Å; R222-V225 PolarHBondContact O-N 2.92Å; R222-G226 PolarHBondContact O-N 3.19Å
223R89.2Confident88.4Confident77 Ų7729.9 Ų29.929%0.29116%0.159SC..Hα-helixtrans-64.8-44.6177-179.9165.7165.4-140.5-21.6111.9K219 Y220 L221 V225 G226 L227 E258 Q259K219-R223 WeakPolarHBondContact O-CB 3.44Å; K219-R223 PolarHBondContact O-N 3.39Å; Y220-R223 PolarHBondContact O-N 2.88Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.26Å; R223-V225 VanDerWaalsContact C-N 3.34Å; R223-V225 PolarHBondContact O-N 2.72Å; R223-G226 PolarHBondContact O-N 2.87Å; R223-G226 VanDerWaalsContact O-N 3.16Å; R223-L227 HydrophobicContact CG-CD1 4.24Å; R223-L227 HydrophobicContact CG-CG 4.48Å; R223-L227 WeakPolarHBondContact O-CG 3.36Å; R223-L227 PolarHBondContact O-N 2.84Å; R223-E258 WeakPolarHBondContact CD-OE2 3.45Å; R223-E258 VanDerWaalsContact CZ-CB 3.46Å; R223-E258 IonicContact CZ-OE2 3.64Å; R223-E258 IonicContact NE-OE2 2.87Å; R223-E258 PolarHBondContact NE-OE2 2.69Å; R223-E258 VanDerWaalsContact NE-OE2 3.16Å; R223-E258 VanDerWaalsContact NH1-CG 3.34Å; R223-E258 IonicContact NH1-OE2 3.35Å; R223-E258 PolarHBondContact NH1-OE2 3.37Å; R223-E258 PolarHBondContact NH2-O 3.13Å; R223-Q259 VanDerWaalsContact NH2-C 3.31Å; R223-Q259 PolarHBondContact NH2-O 3.16Å
224M92.8Very high87.8Confident3 Ų329.9 Ų29.92%0.01516%0.158CC..Hα-helixtrans-56.3-47.1175.4-176.9-175.872.300111.5L12 L127 Y220 L221 G226 L227 L228 L263 T264L12-M224 HydrophobicContact CD1-SD 4.2Å; L127-M224 HydrophobicContact CD1-CE 4.12Å; L127-M224 HydrophobicContact CD2-CE 4Å; Y220-M224 WeakPolarHBondContact O-CB 3.45Å; Y220-M224 PolarHBondContact O-N 2.84Å; L221-M224 HydrophobicContact CD2-CE 3.67Å; L221-M224 PolarHBondContact O-N 3.48Å; M224-G226 PolarHBondContact O-N 2.93Å; M224-L227 PolarHBondContact O-N 2.96Å; M224-L228 HydrophobicContact CG-CD1 4.39Å; M224-L228 VanDerWaalsContact O-CG 3.31Å; M224-L228 WeakPolarHBondContact O-CG 2.92Å; M224-L228 PolarHBondContact O-N 3.26Å; M224-L263 HydrophobicContact SD-CD2 3.86Å; M224-T264 HydrophobicContact CG-CG2 3.8Å
225V94.5Very high87.1Confident3 Ų330.3 Ų30.32%0.01816%0.161CC..Hα-helixtrans-62.3-41.9176.2171.40000111.6F123 L160 C163 Q164 L167 L221 R222 R223 L227 L228 L229F123-V225 HydrophobicContact CE2-CG2 4.2Å; L160-V225 HydrophobicContact CD2-CG1 4.39Å; C163-V225 HydrophobicContact CB-CG1 4.18Å; C163-V225 HydrophobicContact CB-CG2 4.03Å; Q164-V225 HydrophobicContact CB-CG1 4.45Å; L167-V225 HydrophobicContact CD1-CG2 4.14Å; L221-V225 WeakPolarHBondContact O-CG2 3.31Å; L221-V225 PolarHBondContact O-N 3.09Å; R222-V225 PolarHBondContact O-N 2.92Å; R223-V225 VanDerWaalsContact C-N 3.34Å; R223-V225 PolarHBondContact O-N 2.72Å; V225-L227 PolarHBondContact O-N 3.11Å; V225-L228 PolarHBondContact O-N 2.93Å; V225-L229 HydrophobicContact CG1-CD1 4.33Å; V225-L229 PolarHBondContact O-N 2.82Å
226G92.3Very high86.2Confident39 Ų3934.7 Ų34.740%0.40218%0.182SC..Hα-helixtrans-60.7-42174.900000113R222 R223 M224 L229 S230R222-G226 PolarHBondContact O-N 3.19Å; R223-G226 PolarHBondContact O-N 2.87Å; R223-G226 VanDerWaalsContact O-N 3.16Å; M224-G226 PolarHBondContact O-N 2.93Å; G226-L229 PolarHBondContact O-N 2.88Å; G226-S230 PolarHBondContact O-N 2.68Å
227L91.1Very high85.2Confident19 Ų1937.6 Ų37.610%0.09919%0.192CC..Hα-helixtrans-65.9-42.3174.7-71173.1000111.5R223 M224 V225 L229 S230 V231 F251 P260 T264R223-L227 HydrophobicContact CG-CD1 4.24Å; R223-L227 HydrophobicContact CG-CG 4.48Å; R223-L227 WeakPolarHBondContact O-CG 3.36Å; R223-L227 PolarHBondContact O-N 2.84Å; M224-L227 PolarHBondContact O-N 2.96Å; V225-L227 PolarHBondContact O-N 3.11Å; L227-L229 PolarHBondContact O-N 2.85Å; L227-S230 WeakPolarHBondContact O-CA 3.34Å; L227-S230 WeakPolarHBondContact O-CB 3.44Å; L227-S230 PolarHBondContact O-N 3.16Å; L227-S230 VanDerWaalsContact O-N 3.08Å; L227-S230 PolarHBondContact O-OG 3.06Å; L227-V231 PolarHBondContact O-N 3.39Å; L227-F251 HydrophobicContact CB-CE2 4.3Å; L227-F251 HydrophobicContact CB-CZ 4.46Å; L227-F251 HydrophobicContact CD2-CE2 4.04Å; L227-F251 HydrophobicContact CD2-CZ 4.41Å; L227-P260 HydrophobicContact CD1-CB 4.01Å; L227-T264 HydrophobicContact CB-CG2 3.78Å; L227-T264 HydrophobicContact CD1-CG2 4.26Å
228L92.7Very high84Confident0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-60.4-42.8174.4-71174.2000111.9L127 L131 M134 L160 M224 V225 S230 V231 V232 T264 V267L127-L228 HydrophobicContact CD1-CD1 4.35Å; L131-L228 HydrophobicContact CD2-CD1 4.27Å; L131-L228 HydrophobicContact CD2-CD2 4.5Å; M134-L228 HydrophobicContact CE-CB 4.17Å; M134-L228 HydrophobicContact CE-CD2 4.2Å; M134-L228 HydrophobicContact SD-CD2 4.21Å; L160-L228 HydrophobicContact CD1-CB 3.93Å; L160-L228 HydrophobicContact CD2-CB 4.03Å; L160-L228 HydrophobicContact CD2-CD1 4.02Å; M224-L228 HydrophobicContact CG-CD1 4.39Å; M224-L228 VanDerWaalsContact O-CG 3.31Å; M224-L228 WeakPolarHBondContact O-CG 2.92Å; M224-L228 PolarHBondContact O-N 3.26Å; V225-L228 PolarHBondContact O-N 2.93Å; L228-S230 VanDerWaalsContact C-N 3.27Å; L228-S230 PolarHBondContact O-N 3.38Å; L228-V231 PolarHBondContact O-N 2.64Å; L228-V232 WeakPolarHBondContact O-CG2 3.27Å; L228-V232 PolarHBondContact O-N 3.5Å; L228-V232 VanDerWaalsContact O-N 3.12Å; L228-T264 HydrophobicContact CD2-CG2 4.11Å; L228-T264 HydrophobicContact CG-CG2 4.1Å; L228-V267 HydrophobicContact CD2-CB 3.97Å; L228-V267 HydrophobicContact CD2-CG1 3.81Å; L228-V267 HydrophobicContact CD2-CG2 3.94Å
229L91.9Very high83.4Confident32 Ų3242.2 Ų42.217%0.16822%0.224CC..Hα-helixtrans-60.5-38.3172.8-78.4167.9000111.8L160 F161 V225 G226 L227 V232 S233L160-L229 HydrophobicContact CB-CD2 3.65Å; L160-L229 HydrophobicContact CB-CG 3.94Å; L160-L229 HydrophobicContact CD1-CD2 3.88Å; L160-L229 HydrophobicContact CD1-CG 3.99Å; L160-L229 HydrophobicContact CG-CD2 4.46Å; F161-L229 HydrophobicContact CD1-CD1 4.25Å; F161-L229 HydrophobicContact CD1-CD2 4.28Å; F161-L229 HydrophobicContact CE1-CD1 4.15Å; F161-L229 HydrophobicContact CE1-CD2 4.05Å; F161-L229 HydrophobicContact CZ-CD2 4.35Å; V225-L229 HydrophobicContact CG1-CD1 4.33Å; V225-L229 PolarHBondContact O-N 2.82Å; G226-L229 PolarHBondContact O-N 2.88Å; L227-L229 PolarHBondContact O-N 2.85Å; L229-V232 PolarHBondContact O-N 2.94Å; L229-S233 PolarHBondContact O-N 3.35Å
230S87.6Confident83.2Confident36 Ų3636.9 Ų36.925%0.25220%0.201SC..Hα-helixtrans-63.5-43.2175.884.20000111.5G226 L227 L228 V232 S233 I234 F251G226-S230 PolarHBondContact O-N 2.68Å; L227-S230 WeakPolarHBondContact O-CA 3.34Å; L227-S230 WeakPolarHBondContact O-CB 3.44Å; L227-S230 PolarHBondContact O-N 3.16Å; L227-S230 VanDerWaalsContact O-N 3.08Å; L227-S230 PolarHBondContact O-OG 3.06Å; L228-S230 VanDerWaalsContact C-N 3.27Å; L228-S230 PolarHBondContact O-N 3.38Å; S230-V232 VanDerWaalsContact C-N 3.3Å; S230-V232 PolarHBondContact O-N 3.39Å; S230-S233 WeakPolarHBondContact O-CB 3.47Å; S230-S233 PolarHBondContact O-N 2.8Å; S230-S233 PolarHBondContact O-OG 2.76Å; S230-I234 VanDerWaalsContact O-CG1 3.28Å; S230-I234 WeakPolarHBondContact O-CG1 3.44Å; S230-I234 PolarHBondContact O-N 3.36Å; S230-F251 WeakPolarHBondContact OG-CD2 3.4Å; S230-F251 WeakPolarHBondContact OG-CE2 3.37Å
231V86.4Confident83.2Confident0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-57.9-43.2175.2175.10000111.3L227 L228 S233 I234 S235 F251 V267 M268 F271L227-V231 PolarHBondContact O-N 3.39Å; L228-V231 PolarHBondContact O-N 2.64Å; V231-S233 VanDerWaalsContact C-N 3.32Å; V231-S233 PolarHBondContact O-N 2.93Å; V231-I234 PolarHBondContact O-N 3.28Å; V231-S235 PolarHBondContact O-N 2.94Å; V231-F251 HydrophobicContact CG2-CD2 4.36Å; V231-F251 HydrophobicContact CG2-CE2 3.62Å; V231-F251 HydrophobicContact CG2-CZ 3.92Å; V231-V267 HydrophobicContact CG1-CG1 4.31Å; V231-M268 HydrophobicContact CG1-CB 4.33Å; V231-M268 HydrophobicContact CG2-CB 3.89Å; V231-M268 HydrophobicContact CG2-CG 4.36Å; V231-F271 HydrophobicContact CG1-CB 3.96Å; V231-F271 HydrophobicContact CG1-CD1 3.91Å; V231-F271 HydrophobicContact CG1-CG 4.16Å
232V85.3Confident83.1Confident2 Ų235.3 Ų35.31%0.01220%0.195CC..Hα-helixtrans-64.3-36.2175.9179.90000111.6M134 V153 I156 L160 L228 L229 S230 I234 S235M134-V232 HydrophobicContact CE-CG2 3.88Å; V153-V232 HydrophobicContact CG1-CG1 3.86Å; I156-V232 HydrophobicContact CG2-CG2 3.59Å; L160-V232 HydrophobicContact CD1-CG2 4.18Å; L228-V232 WeakPolarHBondContact O-CG2 3.27Å; L228-V232 PolarHBondContact O-N 3.5Å; L228-V232 VanDerWaalsContact O-N 3.12Å; L229-V232 PolarHBondContact O-N 2.94Å; S230-V232 VanDerWaalsContact C-N 3.3Å; S230-V232 PolarHBondContact O-N 3.39Å; V232-I234 VanDerWaalsContact C-N 3.31Å; V232-I234 PolarHBondContact O-N 3.16Å; V232-S235 PolarHBondContact O-N 3.33Å; V232-S235 PolarHBondContact O-OG 2.84Å
233S79.8Confident82.8Confident61 Ų6133 Ų3343%0.42719%0.189SC..Hα-helixtrans-69.7-28.4176.179.40000113.4L229 S230 V231 S235L229-S233 PolarHBondContact O-N 3.35Å; S230-S233 WeakPolarHBondContact O-CB 3.47Å; S230-S233 PolarHBondContact O-N 2.8Å; S230-S233 PolarHBondContact O-OG 2.76Å; V231-S233 VanDerWaalsContact C-N 3.32Å; V231-S233 PolarHBondContact O-N 2.93Å; S233-S235 PolarHBondContact O-N 3.42Å
234I70.6Confident82.6Confident12 Ų1229.8 Ų29.86%0.06218%0.178CC..Hα-helixtrans-70-29176.6-60.6167.2000108.7S230 V231 V232 D236 K237 Q247 F251 Y272S230-I234 VanDerWaalsContact O-CG1 3.28Å; S230-I234 WeakPolarHBondContact O-CG1 3.44Å; S230-I234 PolarHBondContact O-N 3.36Å; V231-I234 PolarHBondContact O-N 3.28Å; V232-I234 VanDerWaalsContact C-N 3.31Å; V232-I234 PolarHBondContact O-N 3.16Å; I234-D236 VanDerWaalsContact C-N 3.27Å; I234-D236 PolarHBondContact O-N 2.81Å; I234-K237 PolarHBondContact O-N 3.08Å; I234-K237 VanDerWaalsContact O-N 3.1Å; I234-Q247 HydrophobicContact CD1-CB 4.28Å; I234-Q247 HydrophobicContact CG1-CB 4.24Å; I234-Q247 HydrophobicContact CG2-CB 3.6Å; I234-Q247 HydrophobicContact CG2-CG 4.03Å; I234-Q247 VanDerWaalsContact CG2-OE1 3.28Å; I234-F251 HydrophobicContact CD1-CD2 4.37Å; I234-Y272 WeakPolarHBondContact CA-OH 3.31Å; I234-Y272 HydrophobicContact CB-CE2 4.44Å; I234-Y272 WeakPolarHBondContact CB-OH 2.93Å; I234-Y272 HydrophobicContact CG2-CE1 3.88Å; I234-Y272 HydrophobicContact CG2-CE2 4.04Å; I234-Y272 WeakPolarHBondContact CG2-OH 3.17Å; I234-Y272 PolarHBondContact O-OH 3.26Å
235S68.9Low82.5Confident13 Ų1329.6 Ų29.69%0.09118%0.177CC..Hα-helixtrans-68.4-26.5-171.263.70000114.9V231 V232 S233 K237 K238 F271 Y272V231-S235 PolarHBondContact O-N 2.94Å; V232-S235 PolarHBondContact O-N 3.33Å; V232-S235 PolarHBondContact O-OG 2.84Å; S233-S235 PolarHBondContact O-N 3.42Å; S235-K237 PolarHBondContact O-N 3.44Å; S235-K238 WeakPolarHBondContact O-CD 3.14Å; S235-K238 WeakPolarHBondContact O-CG 3.21Å; S235-K238 PolarHBondContact O-N 3.1Å; S235-F271 VanDerWaalsContact OG-CE1 3.31Å; S235-F271 WeakPolarHBondContact OG-CE1 3.43Å; S235-Y272 WeakPolarHBondContact CA-OH 3.38Å; S235-Y272 PolarHBondContact N-OH 3.49Å
236D64.3Low82.1Confident110 Ų11032.2 Ų32.259%0.58819%0.188SC*.THydrogen-bonded Turntrans-62.7-6.8175.9-63.4-17.8000112.1R157 I234R157-D236 IonicContact NH2-OD2 3.81Å; I234-D236 VanDerWaalsContact C-N 3.27Å; I234-D236 PolarHBondContact O-N 2.81Å
237K63.4Low81.8Confident120 Ų12031.7 Ų31.752%0.52218%0.175SC..THydrogen-bonded Turntrans-121.811.4-175.6-51.5-172.6-165.6164.90114.9I234 S235 G239 I243I234-K237 PolarHBondContact O-N 3.08Å; I234-K237 VanDerWaalsContact O-N 3.1Å; S235-K237 PolarHBondContact O-N 3.44Å; K237-G239 PolarHBondContact O-N 3.31Å; K237-I243 HydrophobicContact CB-CG2 4.15Å
238K64.1Low81.7Confident58 Ų5830.8 Ų30.825%0.25217%0.171SC..THydrogen-bonded Turntrans-57.8-2.4-172.3-84.5169.2-179.4176.50117.9S235 N240 F271 Y272S235-K238 WeakPolarHBondContact O-CD 3.14Å; S235-K238 WeakPolarHBondContact O-CG 3.21Å; S235-K238 PolarHBondContact O-N 3.1Å; K238-N240 PolarHBondContact O-N 3.31Å; K238-F271 WeakPolarHBondContact CE-O 3.12Å; K238-F271 PolarHBondContact NZ-O 2.92Å; K238-Y272 HydrophobicContact CD-CD1 4.35Å; K238-Y272 HydrophobicContact CD-CE1 4.12Å; K238-Y272 HydrophobicContact CG-CD1 3.71Å; K238-Y272 HydrophobicContact CG-CE1 3.31Å
239G74.7Confident81.4Confident43 Ų4331.8 Ų31.844%0.44318%0.176SC..THydrogen-bonded Turntrans-85.1-2-172.300000116.5K237 L291K237-G239 PolarHBondContact O-N 3.31Å; G239-L291 WeakPolarHBondContact O-CD1 3.46Å
240N85.4Confident80.9Confident13 Ų1338.2 Ų38.27%0.0720%0.202CC..  trans-139.3123.4-173.2-176.2-66.1000110.9K238 L242 I243 T244 L291 A292K238-N240 PolarHBondContact O-N 3.31Å; N240-L242 PolarHBondContact O-N 3.42Å; N240-L242 PolarHBondContact OD1-N 3.48Å; N240-L242 VanDerWaalsContact OD1-N 3.1Å; N240-I243 HydrophobicContact CB-CB 4.03Å; N240-I243 HydrophobicContact CB-CD1 3.77Å; N240-I243 HydrophobicContact CB-CG1 3.88Å; N240-I243 PolarHBondContact O-N 2.74Å; N240-I243 PolarHBondContact OD1-N 3.31Å; N240-I243 VanDerWaalsContact OD1-N 3.11Å; N240-T244 PolarHBondContact O-N 2.93Å; N240-T244 PolarHBondContact O-OG1 2.75Å; N240-L291 PolarHBondContact ND2-O 3.49Å; N240-A292 WeakPolarHBondContact ND2-CA 3.26Å; N240-A292 PolarHBondContact ND2-N 3.36Å
241Y88.5Confident80.8Confident3 Ų337 Ų371%0.01219%0.193CC..Hα-helixtrans-57.1-48.7-175.8-179.3-89.3000112.2I243 T244 M245 F285 S288 V289 L329 L333 L398Y241-I243 PolarHBondContact O-N 2.67Å; Y241-T244 WeakPolarHBondContact O-CB 3.24Å; Y241-T244 PolarHBondContact O-N 2.83Å; Y241-M245 HydrophobicContact CE1-SD 4.33Å; Y241-M245 PolarHBondContact O-N 3.27Å; Y241-F285 HydrophobicContact CD2-CE2 4Å; Y241-F285 HydrophobicContact CD2-CZ 4.17Å; Y241-F285 HydrophobicContact CE2-CE2 4.14Å; Y241-F285 HydrophobicContact CE2-CZ 4.17Å; Y241-S288 PolarHBondContact N-O 3.22Å; Y241-V289 HydrophobicContact CD2-CG2 4.14Å; Y241-V289 HydrophobicContact CG-CG2 4.16Å; Y241-L329 HydrophobicContact CE1-CD1 4.43Å; Y241-L329 HydrophobicContact CE2-CB 3.73Å; Y241-L329 HydrophobicContact CE2-CD1 4.41Å; Y241-L329 PolarHBondContact OH-O 2.88Å; Y241-L333 HydrophobicContact CD2-CD1 3.71Å; Y241-L333 HydrophobicContact CE2-CD1 3.35Å; Y241-L333 HydrophobicContact CE2-CG 3.72Å; Y241-L398 HydrophobicContact CE1-CD1 4.1Å; Y241-L398 HydrophobicContact CE1-CD2 4.06Å
242L88.7Confident80.7Confident5 Ų537.8 Ų37.83%0.02620%0.197CC..Hα-helixtrans-65.9-37.3-178.2178.359.6000112.3N240 M245 K246 A292 L296 Y397N240-L242 PolarHBondContact O-N 3.42Å; N240-L242 PolarHBondContact OD1-N 3.48Å; N240-L242 VanDerWaalsContact OD1-N 3.1Å; L242-M245 HydrophobicContact CD1-CE 3.82Å; L242-K246 HydrophobicContact CD1-CD 4.31Å; L242-K246 HydrophobicContact CD1-CG 4.39Å; L242-K246 HydrophobicContact CG-CD 4.46Å; L242-K246 WeakPolarHBondContact O-CB 3.46Å; L242-K246 WeakPolarHBondContact O-CG 3.42Å; L242-K246 PolarHBondContact O-N 2.92Å; L242-A292 HydrophobicContact CB-CB 3.85Å; L242-L296 HydrophobicContact CD2-CB 4.3Å; L242-L296 HydrophobicContact CD2-CD1 4.32Å; L242-Y397 HydrophobicContact CD1-CD1 4.37Å; L242-Y397 HydrophobicContact CD1-CE1 3.48Å; L242-Y397 VanDerWaalsContact CD1-CE1 3.48Å
243I86Confident80.2Confident45 Ų4541.5 Ų41.523%0.23122%0.217CC..Hα-helixtrans-64.1-46.4174.5-63.9179.8000110K237 N240 Y241 K246 Q247 K295K237-I243 HydrophobicContact CB-CG2 4.15Å; N240-I243 HydrophobicContact CB-CB 4.03Å; N240-I243 HydrophobicContact CB-CD1 3.77Å; N240-I243 HydrophobicContact CB-CG1 3.88Å; N240-I243 PolarHBondContact O-N 2.74Å; N240-I243 PolarHBondContact OD1-N 3.31Å; N240-I243 VanDerWaalsContact OD1-N 3.11Å; Y241-I243 PolarHBondContact O-N 2.67Å; I243-K246 PolarHBondContact O-N 3.47Å; I243-Q247 HydrophobicContact CG2-CG 4.45Å; I243-Q247 VanDerWaalsContact O-CG 3.28Å; I243-Q247 WeakPolarHBondContact O-CG 3Å; I243-Q247 PolarHBondContact O-N 3.29Å; I243-Q247 PolarHBondContact O-OE1 3.05Å; I243-K295 HydrophobicContact CD1-CD 4.09Å; I243-K295 HydrophobicContact CG1-CD 4.12Å
244T86.4Confident79Confident8 Ų844.7 Ų44.75%0.04922%0.221CC..Hα-helixtrans-59.8-48.6179.4-55.90000110.9N240 Y241 K246 Q247 F248 Y272 L333N240-T244 PolarHBondContact O-N 2.93Å; N240-T244 PolarHBondContact O-OG1 2.75Å; Y241-T244 WeakPolarHBondContact O-CB 3.24Å; Y241-T244 PolarHBondContact O-N 2.83Å; T244-K246 PolarHBondContact O-N 3.46Å; T244-Q247 PolarHBondContact O-N 3.26Å; T244-Q247 VanDerWaalsContact O-N 3.13Å; T244-F248 HydrophobicContact CG2-CD1 4.17Å; T244-F248 HydrophobicContact CG2-CE1 3.81Å; T244-F248 HydrophobicContact CG2-CZ 4.11Å; T244-F248 WeakPolarHBondContact O-CD1 3.27Å; T244-F248 PolarHBondContact O-N 3.4Å; T244-Y272 HydrophobicContact CG2-CD1 3.46Å; T244-Y272 VanDerWaalsContact CG2-CD1 3.46Å; T244-Y272 HydrophobicContact CG2-CE1 3.77Å; T244-Y272 HydrophobicContact CG2-CG 4.33Å; T244-L333 HydrophobicContact CG2-CD1 4.24Å
245M88.8Confident78.3Confident0 Ų047.3 Ų47.30%024%0.238CC..Hα-helixtrans-56.4-48.6176.5-168.8-177.17600112.1Y241 L242 Q247 F248 I249 L333 Y336 Y397 L398 E401Y241-M245 HydrophobicContact CE1-SD 4.33Å; Y241-M245 PolarHBondContact O-N 3.27Å; L242-M245 HydrophobicContact CD1-CE 3.82Å; M245-Q247 VanDerWaalsContact C-N 3.26Å; M245-Q247 PolarHBondContact O-N 2.89Å; M245-F248 WeakPolarHBondContact O-CB 3.41Å; M245-F248 PolarHBondContact O-N 2.95Å; M245-F248 VanDerWaalsContact O-N 3.09Å; M245-I249 HydrophobicContact CE-CD1 4.31Å; M245-I249 HydrophobicContact CG-CD1 4.18Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.27Å; M245-L333 HydrophobicContact CB-CD2 3.71Å; M245-L333 HydrophobicContact CG-CD2 3.93Å; M245-Y336 HydrophobicContact CG-CE2 4.09Å; M245-Y397 HydrophobicContact CE-CE1 4.38Å; M245-L398 HydrophobicContact CE-CD2 3.89Å; M245-L398 HydrophobicContact SD-CD2 3.87Å; M245-E401 HydrophobicContact CE-CG 3.89Å
246K87.4Confident77.4Confident58 Ų5851.1 Ų51.125%0.25226%0.257SS..Hα-helixtrans-62.7-32.6178.2-75.6-177.81701800113L242 I243 T244 K250 Y397 E481L242-K246 HydrophobicContact CD1-CD 4.31Å; L242-K246 HydrophobicContact CD1-CG 4.39Å; L242-K246 HydrophobicContact CG-CD 4.46Å; L242-K246 WeakPolarHBondContact O-CB 3.46Å; L242-K246 WeakPolarHBondContact O-CG 3.42Å; L242-K246 PolarHBondContact O-N 2.92Å; I243-K246 PolarHBondContact O-N 3.47Å; T244-K246 PolarHBondContact O-N 3.46Å; K246-K250 WeakPolarHBondContact O-CB 3.37Å; K246-K250 PolarHBondContact O-N 3.38Å; K246-K250 VanDerWaalsContact O-N 3.11Å; K246-Y397 WeakPolarHBondContact CE-OH 3.45Å; K246-Y397 PolarHBondContact NZ-OH 2.82Å; K246-E481 IonicContact NZ-OE1 3.58Å; K246-E481 PolarHBondContact NZ-OE1 3.44Å; K246-E481 IonicContact NZ-OE2 3.46Å; K246-E481 PolarHBondContact NZ-OE2 3.26Å
247Q85.8Confident77Confident27 Ų2753 Ų5313%0.12627%0.267CS..Hα-helixtrans-74.2-33.4174.8-66.6173.6-68.500112.4I234 I243 T244 M245 K250 F251I234-Q247 HydrophobicContact CD1-CB 4.28Å; I234-Q247 HydrophobicContact CG1-CB 4.24Å; I234-Q247 HydrophobicContact CG2-CB 3.6Å; I234-Q247 HydrophobicContact CG2-CG 4.03Å; I234-Q247 VanDerWaalsContact CG2-OE1 3.28Å; I243-Q247 HydrophobicContact CG2-CG 4.45Å; I243-Q247 VanDerWaalsContact O-CG 3.28Å; I243-Q247 WeakPolarHBondContact O-CG 3Å; I243-Q247 PolarHBondContact O-N 3.29Å; I243-Q247 PolarHBondContact O-OE1 3.05Å; T244-Q247 PolarHBondContact O-N 3.26Å; T244-Q247 VanDerWaalsContact O-N 3.13Å; M245-Q247 VanDerWaalsContact C-N 3.26Å; M245-Q247 PolarHBondContact O-N 2.89Å; Q247-K250 PolarHBondContact O-N 2.8Å; Q247-F251 WeakPolarHBondContact O-CB 3.38Å; Q247-F251 PolarHBondContact O-N 3.15Å
248F88.2Confident77.1Confident0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-66.8-46.4174.3-80.324.4000111T244 M245 K250 F251 V252 M268 Y272 L333 Y336T244-F248 HydrophobicContact CG2-CD1 4.17Å; T244-F248 HydrophobicContact CG2-CE1 3.81Å; T244-F248 HydrophobicContact CG2-CZ 4.11Å; T244-F248 WeakPolarHBondContact O-CD1 3.27Å; T244-F248 PolarHBondContact O-N 3.4Å; M245-F248 WeakPolarHBondContact O-CB 3.41Å; M245-F248 PolarHBondContact O-N 2.95Å; M245-F248 VanDerWaalsContact O-N 3.09Å; F248-K250 VanDerWaalsContact C-N 3.32Å; F248-K250 PolarHBondContact O-N 3.39Å; F248-F251 WeakPolarHBondContact O-CB 3.47Å; F248-F251 PolarHBondContact O-N 3.24Å; F248-F251 VanDerWaalsContact O-N 3.07Å; F248-V252 WeakPolarHBondContact O-CG2 3.5Å; F248-V252 PolarHBondContact O-N 3.27Å; F248-M268 HydrophobicContact CD1-CE 4.47Å; F248-M268 HydrophobicContact CD1-CG 4.38Å; F248-M268 HydrophobicContact CD1-SD 3.85Å; F248-M268 HydrophobicContact CD2-CE 4.04Å; F248-M268 HydrophobicContact CD2-SD 4.46Å; F248-M268 HydrophobicContact CE1-CG 3.89Å; F248-M268 HydrophobicContact CE1-SD 3.97Å; F248-M268 HydrophobicContact CE2-CE 4.15Å; F248-M268 HydrophobicContact CG-CE 4.19Å; F248-M268 HydrophobicContact CG-SD 4.1Å; F248-M268 HydrophobicContact CZ-CE 4.4Å; F248-M268 HydrophobicContact CZ-CG 4.05Å; F248-M268 HydrophobicContact CZ-SD 4.32Å; F248-Y272 AromaticContact CE1-CD1 3.91Å; F248-Y272 HydrophobicContact CE1-CD1 3.91Å; F248-Y272 AromaticContact CE1-CD2 3.47Å; F248-Y272 HydrophobicContact CE1-CD2 3.47Å; F248-Y272 VanDerWaalsContact CE1-CD2 3.47Å; F248-Y272 HydrophobicContact CE1-CE1 4.1Å; F248-Y272 AromaticContact CE1-CE2 3.74Å; F248-Y272 HydrophobicContact CE1-CE2 3.74Å; F248-Y272 AromaticContact CE1-CG 3.64Å; F248-Y272 HydrophobicContact CE1-CG 3.64Å; F248-Y272 HydrophobicContact CZ-CD1 4.03Å; F248-Y272 AromaticContact CZ-CD2 3.5Å; F248-Y272 HydrophobicContact CZ-CD2 3.5Å; F248-Y272 HydrophobicContact CZ-CE2 4.24Å; F248-Y272 AromaticContact CZ-CG 3.45Å; F248-Y272 HydrophobicContact CZ-CG 3.45Å; F248-Y272 VanDerWaalsContact CZ-CG 3.45Å; F248-L333 HydrophobicContact CD2-CB 4.41Å; F248-L333 HydrophobicContact CD2-CD2 3.98Å; F248-L333 HydrophobicContact CE2-CB 4.27Å; F248-L333 HydrophobicContact CE2-CD2 4.42Å; F248-L333 HydrophobicContact CG-CD2 4.5Å; F248-Y336 HydrophobicContact CB-CD1 4.31Å; F248-Y336 HydrophobicContact CB-CD2 4.12Å; F248-Y336 HydrophobicContact CB-CG 3.85Å; F248-Y336 HydrophobicContact CD2-CD2 4.21Å; F248-Y336 HydrophobicContact CD2-CG 4.36Å
249I86.4Confident77.4Confident21 Ų2153.4 Ų53.411%0.10827%0.272CS..Hα-helixtrans-50.8-54.3171-69164.3000109.4M245 F251 V252 D253 Y336 E401M245-I249 HydrophobicContact CE-CD1 4.31Å; M245-I249 HydrophobicContact CG-CD1 4.18Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.27Å; I249-F251 VanDerWaalsContact C-N 3.26Å; I249-F251 PolarHBondContact O-N 2.82Å; I249-V252 PolarHBondContact O-N 3.38Å; I249-D253 VanDerWaalsContact CG2-OD2 3.22Å; I249-D253 WeakPolarHBondContact CG2-OD2 3.4Å; I249-D253 VanDerWaalsContact O-CB 3.28Å; I249-D253 WeakPolarHBondContact O-CB 3.26Å; I249-D253 PolarHBondContact O-N 3.03Å; I249-Y336 HydrophobicContact CB-CE1 4.29Å; I249-Y336 HydrophobicContact CD1-CE1 4.33Å; I249-Y336 HydrophobicContact CG1-CD1 4.18Å; I249-Y336 HydrophobicContact CG1-CE1 3.29Å; I249-E401 HydrophobicContact CD1-CG 4.32Å; I249-E401 WeakPolarHBondContact CD1-OE1 3.12Å
250K82.9Confident77.9Confident167 Ų16751.5 Ų51.573%0.72625%0.252SS*.Hα-helixtrans-61.2-31.8179.6-174.7176.9178.7-1790113.9K246 Q247 F248K246-K250 WeakPolarHBondContact O-CB 3.37Å; K246-K250 PolarHBondContact O-N 3.38Å; K246-K250 VanDerWaalsContact O-N 3.11Å; Q247-K250 PolarHBondContact O-N 2.8Å; F248-K250 VanDerWaalsContact C-N 3.32Å; F248-K250 PolarHBondContact O-N 3.39Å
251F85.7Confident77.8Confident11 Ų1151.9 Ų51.95%0.04826%0.255CS..Hα-helixtrans-73.5-38.3179.5-179.6-91.1000111.9L227 S230 V231 I234 Q247 F248 I249 P260 R265 M268L227-F251 HydrophobicContact CB-CE2 4.3Å; L227-F251 HydrophobicContact CB-CZ 4.46Å; L227-F251 HydrophobicContact CD2-CE2 4.04Å; L227-F251 HydrophobicContact CD2-CZ 4.41Å; S230-F251 WeakPolarHBondContact OG-CD2 3.4Å; S230-F251 WeakPolarHBondContact OG-CE2 3.37Å; V231-F251 HydrophobicContact CG2-CD2 4.36Å; V231-F251 HydrophobicContact CG2-CE2 3.62Å; V231-F251 HydrophobicContact CG2-CZ 3.92Å; I234-F251 HydrophobicContact CD1-CD2 4.37Å; Q247-F251 WeakPolarHBondContact O-CB 3.38Å; Q247-F251 PolarHBondContact O-N 3.15Å; F248-F251 WeakPolarHBondContact O-CB 3.47Å; F248-F251 PolarHBondContact O-N 3.24Å; F248-F251 VanDerWaalsContact O-N 3.07Å; I249-F251 VanDerWaalsContact C-N 3.26Å; I249-F251 PolarHBondContact O-N 2.82Å; F251-P260 HydrophobicContact CD1-CB 4.3Å; F251-P260 HydrophobicContact CD1-CG 4.03Å; F251-P260 HydrophobicContact CE1-CB 3.54Å; F251-P260 HydrophobicContact CE1-CG 3.7Å; F251-P260 HydrophobicContact CZ-CB 3.87Å; F251-P260 HydrophobicContact CZ-CG 4.48Å; F251-R265 HydrophobicContact CE1-CG 4.35Å; F251-M268 HydrophobicContact CB-SD 4.11Å; F251-M268 HydrophobicContact CD1-CE 4.14Å; F251-M268 HydrophobicContact CD1-SD 3.36Å; F251-M268 WeakPolarHBondContact CD1-SD 3.5Å; F251-M268 HydrophobicContact CD2-SD 4.47Å; F251-M268 HydrophobicContact CE1-CB 4.43Å; F251-M268 HydrophobicContact CE1-CE 4.47Å; F251-M268 HydrophobicContact CE1-SD 3.82Å; F251-M268 HydrophobicContact CG-SD 3.73Å
252V83.2Confident77.7Confident17 Ų1751.8 Ų51.810%0.10326%0.255CS..Hα-helixtrans-84.3-41.2-178.4-178.50000112F248 I249 Y254 Y336F248-V252 WeakPolarHBondContact O-CG2 3.5Å; F248-V252 PolarHBondContact O-N 3.27Å; I249-V252 PolarHBondContact O-N 3.38Å; V252-Y254 PolarHBondContact O-N 2.89Å; V252-Y254 VanDerWaalsContact O-N 3.13Å; V252-Y336 WeakPolarHBondContact CG2-O 3.48Å
253D74.6Confident77.8Confident80 Ų8051.7 Ų51.743%0.42825%0.254SS..SBendtrans-82.621.8-177.8-57.8-9.6000112.5I249 R343I249-D253 VanDerWaalsContact CG2-OD2 3.22Å; I249-D253 WeakPolarHBondContact CG2-OD2 3.4Å; I249-D253 VanDerWaalsContact O-CB 3.28Å; I249-D253 WeakPolarHBondContact O-CB 3.26Å; I249-D253 PolarHBondContact O-N 3.03Å; D253-R343 IonicContact OD1-NH1 3.48Å; D253-R343 PolarHBondContact OD1-NH1 2.64Å
254Y55.1Low78Confident128 Ų12849.5 Ų49.550%0.50224%0.243SC..SBendtrans-54.8146.7164.4-153.5-102000108.4V252 L256V252-Y254 PolarHBondContact O-N 2.89Å; V252-Y254 VanDerWaalsContact O-N 3.13Å; Y254-L256 PolarHBondContact O-N 3.42Å
255P54.8Low78.1Confident66 Ų6649.6 Ų49.643%0.42924%0.243SC..  trans-34.3131.3-167.14-25.9000114.4N257 E258P255-N257 PolarHBondContact O-N 3.45Å; P255-E258 PolarHBondContact O-N 2.85Å
256L50.3Low78.1Confident94 Ų9449.6 Ų49.649%0.49224%0.243SC..THydrogen-bonded Turntrans-43.1-31.5-169.2-72.3162.1000114.9Y254 E258Y254-L256 PolarHBondContact O-N 3.42Å; L256-E258 VanDerWaalsContact C-N 3.26Å; L256-E258 PolarHBondContact O-N 3.19Å
257N55.5Low78.2Confident148 Ų14847.1 Ų47.179%0.79123%0.232SC*.THydrogen-bonded Turntrans-79.2-5.5-177.6-59-5000113.5P255P255-N257 PolarHBondContact O-N 3.45Å
258E65.6Low78.2Confident90 Ų9045.8 Ų45.842%0.42123%0.226SC..  trans-143.666.6-166.8-75.6-156.6-145.500112.3R223 P255 L256R223-E258 WeakPolarHBondContact CD-OE2 3.45Å; R223-E258 VanDerWaalsContact CZ-CB 3.46Å; R223-E258 IonicContact CZ-OE2 3.64Å; R223-E258 IonicContact NE-OE2 2.87Å; R223-E258 PolarHBondContact NE-OE2 2.69Å; R223-E258 VanDerWaalsContact NE-OE2 3.16Å; R223-E258 VanDerWaalsContact NH1-CG 3.34Å; R223-E258 IonicContact NH1-OE2 3.35Å; R223-E258 PolarHBondContact NH1-OE2 3.37Å; R223-E258 PolarHBondContact NH2-O 3.13Å; P255-E258 PolarHBondContact O-N 2.85Å; L256-E258 VanDerWaalsContact C-N 3.26Å; L256-E258 PolarHBondContact O-N 3.19Å
259Q71.7Confident78.1Confident97 Ų9746.1 Ų46.145%0.45323%0.228SC..PPolyproline II helixtrans-67.3146173.8-66.4-168.50.300113.4R223 S340R223-Q259 VanDerWaalsContact NH2-C 3.31Å; R223-Q259 PolarHBondContact NH2-O 3.16Å; Q259-S340 PolarHBondContact NE2-OG 3.33Å
260P84.8Confident77.8Confident4 Ų445.3 Ų45.33%0.02622%0.223CC..PPolyproline II helixtrans-63.4136.9174.126.4-33.8000111.8L227 F251 R265L227-P260 HydrophobicContact CD1-CB 4.01Å; F251-P260 HydrophobicContact CD1-CB 4.3Å; F251-P260 HydrophobicContact CD1-CG 4.03Å; F251-P260 HydrophobicContact CE1-CB 3.54Å; F251-P260 HydrophobicContact CE1-CG 3.7Å; F251-P260 HydrophobicContact CZ-CB 3.87Å; F251-P260 HydrophobicContact CZ-CG 4.48Å; P260-R265 HydrophobicContact CB-CG 4.03Å; P260-R265 HydrophobicContact CG-CG 3.85Å; P260-R265 PolarHBondContact O-NE 3.48Å
261C84.3Confident77.5Confident20 Ų2037.5 Ų37.514%0.13519%0.189CC..PPolyproline II helixtrans-67.9161.2-179.166.10000113.4Y220 L263 T264 R265Y220-C261 HydrophobicContact CE2-CB 4.37Å; Y220-C261 WeakPolarHBondContact OH-CB 3.21Å; C261-L263 VanDerWaalsContact C-N 3.29Å; C261-L263 PolarHBondContact O-N 3.11Å; C261-T264 PolarHBondContact N-OG1 3.1Å; C261-T264 PolarHBondContact O-N 2.7Å; C261-T264 PolarHBondContact O-OG1 3.29Å; C261-T264 VanDerWaalsContact SG-CG2 3.58Å; C261-T264 PolarHBondContact SG-OG1 3.47Å; C261-T264 VanDerWaalsContact SG-OG1 3.4Å; C261-R265 PolarHBondContact O-N 3.24Å
262L85.8Confident77Confident1 Ų138.2 Ų38.21%0.00519%0.192CC..Hα-helixtrans-50.1-45.1-178.7-175.955.5000113.6V56 I61 E63 M76 R265 S266V56-L262 HydrophobicContact CG1-CD2 3.94Å; V56-L262 HydrophobicContact CG1-CG 4.25Å; V56-L262 HydrophobicContact CG2-CD2 4.37Å; V56-L262 HydrophobicContact CG2-CG 4.2Å; I61-L262 HydrophobicContact CB-CD1 4.02Å; I61-L262 HydrophobicContact CG2-CD1 3.48Å; I61-L262 VanDerWaalsContact CG2-CD1 3.48Å; E63-L262 HydrophobicContact CG-CB 4.44Å; E63-L262 HydrophobicContact CG-CD1 4.18Å; E63-L262 HydrophobicContact CG-CD2 4.17Å; E63-L262 HydrophobicContact CG-CG 4.49Å; M76-L262 HydrophobicContact CE-CB 3.88Å; M76-L262 HydrophobicContact CE-CD2 3.76Å; M76-L262 HydrophobicContact CE-CG 4.29Å; M76-L262 HydrophobicContact SD-CD2 4.06Å; L262-R265 PolarHBondContact O-N 3.2Å; L262-S266 VanDerWaalsContact O-CB 3.29Å; L262-S266 WeakPolarHBondContact O-CB 3.43Å; L262-S266 PolarHBondContact O-N 2.89Å; L262-S266 PolarHBondContact O-OG 3.48Å
263L89.8Confident76.4Confident3 Ų338.3 Ų38.32%0.01619%0.191CC..Hα-helixtrans-61.5-46.8178.6173.358.3000111.8L12 V52 I55 L131 M224 C261 R265 S266 V267L12-L263 HydrophobicContact CD2-CD2 4.24Å; V52-L263 HydrophobicContact CB-CD1 4.49Å; V52-L263 HydrophobicContact CG1-CD1 4.13Å; V52-L263 HydrophobicContact CG1-CD2 4.37Å; V52-L263 HydrophobicContact CG2-CD1 4.15Å; V52-L263 HydrophobicContact CG2-CD2 3.87Å; I55-L263 HydrophobicContact CB-CD1 4.45Å; I55-L263 HydrophobicContact CD1-CD1 4.29Å; I55-L263 HydrophobicContact CG2-CD1 3.9Å; L131-L263 HydrophobicContact CD1-CD2 4.39Å; M224-L263 HydrophobicContact SD-CD2 3.86Å; C261-L263 VanDerWaalsContact C-N 3.29Å; C261-L263 PolarHBondContact O-N 3.11Å; L263-R265 PolarHBondContact O-N 3.05Å; L263-S266 PolarHBondContact O-N 3.29Å; L263-V267 HydrophobicContact CD1-CG2 3.82Å; L263-V267 HydrophobicContact CG-CG2 4.4Å; L263-V267 WeakPolarHBondContact O-CB 3.34Å; L263-V267 WeakPolarHBondContact O-CG2 3.43Å; L263-V267 PolarHBondContact O-N 2.83Å
264T90.9Very high75.7Confident0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-69.2-35.8-176.856.60000111.8M224 L227 L228 C261 M268M224-T264 HydrophobicContact CG-CG2 3.8Å; L227-T264 HydrophobicContact CB-CG2 3.78Å; L227-T264 HydrophobicContact CD1-CG2 4.26Å; L228-T264 HydrophobicContact CD2-CG2 4.11Å; L228-T264 HydrophobicContact CG-CG2 4.1Å; C261-T264 PolarHBondContact N-OG1 3.1Å; C261-T264 PolarHBondContact O-N 2.7Å; C261-T264 PolarHBondContact O-OG1 3.29Å; C261-T264 VanDerWaalsContact SG-CG2 3.58Å; C261-T264 PolarHBondContact SG-OG1 3.47Å; C261-T264 VanDerWaalsContact SG-OG1 3.4Å; T264-M268 WeakPolarHBondContact O-CB 2.99Å; T264-M268 PolarHBondContact O-N 2.68Å
265R89.3Confident75.8Confident10 Ų1029.8 Ų29.84%0.03816%0.159CC..Hα-helixtrans-63.5-41.2169.2-67.3-173.8-67.5-171.3-6.5112.5I61 E63 F251 P260 C261 L262 L263 M268 Q269 G337 L338I61-R265 HydrophobicContact CD1-CB 4.3Å; E63-R265 IonicContact OE1-NH2 3.01Å; E63-R265 PolarHBondContact OE1-NH2 2.71Å; F251-R265 HydrophobicContact CE1-CG 4.35Å; P260-R265 HydrophobicContact CB-CG 4.03Å; P260-R265 HydrophobicContact CG-CG 3.85Å; P260-R265 PolarHBondContact O-NE 3.48Å; C261-R265 PolarHBondContact O-N 3.24Å; L262-R265 PolarHBondContact O-N 3.2Å; L263-R265 PolarHBondContact O-N 3.05Å; R265-M268 WeakPolarHBondContact O-CB 3.49Å; R265-M268 PolarHBondContact O-N 2.89Å; R265-Q269 WeakPolarHBondContact O-CG 3.49Å; R265-Q269 PolarHBondContact O-N 3.35Å; R265-G337 WeakPolarHBondContact CD-O 3.48Å; R265-L338 PolarHBondContact NH1-O 2.92Å; R265-L338 VanDerWaalsContact NH1-O 3.09Å
266S87.8Confident75.8Confident0 Ų027.6 Ų27.60%015%0.148CC..Hα-helixtrans-66.8-45.8178.4-60.10000112.1L262 L263 M268 Q269 L270L262-S266 VanDerWaalsContact O-CB 3.29Å; L262-S266 WeakPolarHBondContact O-CB 3.43Å; L262-S266 PolarHBondContact O-N 2.89Å; L262-S266 PolarHBondContact O-OG 3.48Å; L263-S266 PolarHBondContact O-N 3.29Å; S266-M268 VanDerWaalsContact C-N 3.32Å; S266-M268 PolarHBondContact O-N 3.28Å; S266-Q269 PolarHBondContact O-N 3.48Å; S266-L270 PolarHBondContact O-N 3.41Å
267V89.1Confident75.9Confident5 Ų524.4 Ų24.43%0.0314%0.135CC..Hα-helixtrans-59.7-45.3172.7170.60000110.1I55 L131 M134 L228 V231 L263 Q269 L270 F271I55-V267 HydrophobicContact CD1-CG2 4.43Å; I55-V267 HydrophobicContact CG2-CG2 3.91Å; L131-V267 HydrophobicContact CD2-CG2 4.12Å; M134-V267 HydrophobicContact CE-CG1 4.38Å; M134-V267 HydrophobicContact SD-CG1 3.49Å; M134-V267 WeakPolarHBondContact SD-CG1 3.44Å; M134-V267 HydrophobicContact SD-CG2 4.4Å; L228-V267 HydrophobicContact CD2-CB 3.97Å; L228-V267 HydrophobicContact CD2-CG1 3.81Å; L228-V267 HydrophobicContact CD2-CG2 3.94Å; V231-V267 HydrophobicContact CG1-CG1 4.31Å; L263-V267 HydrophobicContact CD1-CG2 3.82Å; L263-V267 HydrophobicContact CG-CG2 4.4Å; L263-V267 WeakPolarHBondContact O-CB 3.34Å; L263-V267 WeakPolarHBondContact O-CG2 3.43Å; L263-V267 PolarHBondContact O-N 2.83Å; V267-Q269 PolarHBondContact O-N 3.16Å; V267-L270 PolarHBondContact O-N 3.42Å; V267-F271 VanDerWaalsContact O-CB 3.29Å; V267-F271 WeakPolarHBondContact O-CB 3.1Å; V267-F271 PolarHBondContact O-N 2.87Å
268M87.2Confident75.8Confident0 Ų025.5 Ų25.50%014%0.141CC..Hα-helixtrans-54.6-55.1174.1-176.1-171.370.800110.3V231 F248 F251 T264 R265 S266 L270 F271 Y272V231-M268 HydrophobicContact CG1-CB 4.33Å; V231-M268 HydrophobicContact CG2-CB 3.89Å; V231-M268 HydrophobicContact CG2-CG 4.36Å; F248-M268 HydrophobicContact CD1-CE 4.47Å; F248-M268 HydrophobicContact CD1-CG 4.38Å; F248-M268 HydrophobicContact CD1-SD 3.85Å; F248-M268 HydrophobicContact CD2-CE 4.04Å; F248-M268 HydrophobicContact CD2-SD 4.46Å; F248-M268 HydrophobicContact CE1-CG 3.89Å; F248-M268 HydrophobicContact CE1-SD 3.97Å; F248-M268 HydrophobicContact CE2-CE 4.15Å; F248-M268 HydrophobicContact CG-CE 4.19Å; F248-M268 HydrophobicContact CG-SD 4.1Å; F248-M268 HydrophobicContact CZ-CE 4.4Å; F248-M268 HydrophobicContact CZ-CG 4.05Å; F248-M268 HydrophobicContact CZ-SD 4.32Å; F251-M268 HydrophobicContact CB-SD 4.11Å; F251-M268 HydrophobicContact CD1-CE 4.14Å; F251-M268 HydrophobicContact CD1-SD 3.36Å; F251-M268 WeakPolarHBondContact CD1-SD 3.5Å; F251-M268 HydrophobicContact CD2-SD 4.47Å; F251-M268 HydrophobicContact CE1-CB 4.43Å; F251-M268 HydrophobicContact CE1-CE 4.47Å; F251-M268 HydrophobicContact CE1-SD 3.82Å; F251-M268 HydrophobicContact CG-SD 3.73Å; T264-M268 WeakPolarHBondContact O-CB 2.99Å; T264-M268 PolarHBondContact O-N 2.68Å; R265-M268 WeakPolarHBondContact O-CB 3.49Å; R265-M268 PolarHBondContact O-N 2.89Å; S266-M268 VanDerWaalsContact C-N 3.32Å; S266-M268 PolarHBondContact O-N 3.28Å; M268-L270 VanDerWaalsContact C-N 3.35Å; M268-L270 PolarHBondContact O-N 3.28Å; M268-F271 PolarHBondContact O-N 3.32Å; M268-F271 VanDerWaalsContact O-N 3.15Å; M268-Y272 HydrophobicContact CG-CD2 4.31Å; M268-Y272 HydrophobicContact CG-CE2 4.41Å; M268-Y272 VanDerWaalsContact O-CD2 3.23Å; M268-Y272 WeakPolarHBondContact O-CD2 3.42Å; M268-Y272 PolarHBondContact O-N 2.9Å
269Q84.8Confident75.6Confident7 Ų725.8 Ų25.83%0.03314%0.142CC..Hα-helixtrans-57.5-45.6-179.7-72-62.8-33.700112.4A59 I61 R265 S266 V267 F271 Y272 Y273 L333A59-Q269 HydrophobicContact CB-CB 4.41Å; I61-Q269 HydrophobicContact CD1-CB 3.92Å; I61-Q269 HydrophobicContact CD1-CG 3.43Å; I61-Q269 VanDerWaalsContact CD1-CG 3.43Å; I61-Q269 HydrophobicContact CG1-CG 4.25Å; R265-Q269 WeakPolarHBondContact O-CG 3.49Å; R265-Q269 PolarHBondContact O-N 3.35Å; S266-Q269 PolarHBondContact O-N 3.48Å; V267-Q269 PolarHBondContact O-N 3.16Å; Q269-F271 PolarHBondContact O-N 3.11Å; Q269-Y272 PolarHBondContact O-N 3.33Å; Q269-Y273 WeakPolarHBondContact O-CA 3.49Å; Q269-Y273 WeakPolarHBondContact O-CB 3.29Å; Q269-Y273 PolarHBondContact O-N 3.48Å; Q269-L333 PolarHBondContact NE2-O 2.97Å
270L81.3Confident75.1Confident3 Ų322 Ų222%0.01613%0.126CC..Hα-helixtrans-61.7-45.6176.4-72.4-177000111.9I55 R58 A59 I150 S266 V267 M268 Y272 Y273 P274I55-L270 HydrophobicContact CB-CD1 4.25Å; I55-L270 HydrophobicContact CG1-CD1 4.32Å; I55-L270 HydrophobicContact CG2-CD1 3.91Å; R58-L270 HydrophobicContact CB-CD1 4.14Å; R58-L270 HydrophobicContact CB-CD2 3.85Å; A59-L270 HydrophobicContact CB-CD2 4.31Å; A59-L270 HydrophobicContact CB-CG 4.01Å; I150-L270 WeakPolarHBondContact CD1-O 3.28Å; S266-L270 PolarHBondContact O-N 3.41Å; V267-L270 PolarHBondContact O-N 3.42Å; M268-L270 VanDerWaalsContact C-N 3.35Å; M268-L270 PolarHBondContact O-N 3.28Å; L270-Y272 PolarHBondContact O-N 3.35Å; L270-Y272 VanDerWaalsContact O-N 3.08Å; L270-Y273 CarbonylContact O-C 3.58Å; L270-Y273 PolarHBondContact O-N 2.82Å; L270-Y273 VanDerWaalsContact O-N 3.15Å; L270-P274 VanDerWaalsContact O-CA 3.22Å; L270-P274 WeakPolarHBondContact O-CA 3.37Å; L270-P274 VanDerWaalsContact O-CD 3.25Å; L270-P274 WeakPolarHBondContact O-CD 3.45Å
271F76.7Confident74.2Confident3 Ų323 Ų231%0.01313%0.132CC..Hα-helixtrans-58.9-30.7-175.9-143.5-128.7000112.4I150 V153 I156 V231 S235 K238 V267 M268 Q269I150-F271 HydrophobicContact CB-CD2 4.36Å; I150-F271 HydrophobicContact CB-CE2 4.45Å; I150-F271 WeakPolarHBondContact O-CE2 3.37Å; V153-F271 HydrophobicContact CG2-CZ 4.35Å; I156-F271 HydrophobicContact CD1-CE2 4.02Å; I156-F271 HydrophobicContact CD1-CZ 4.2Å; V231-F271 HydrophobicContact CG1-CB 3.96Å; V231-F271 HydrophobicContact CG1-CD1 3.91Å; V231-F271 HydrophobicContact CG1-CG 4.16Å; S235-F271 VanDerWaalsContact OG-CE1 3.31Å; S235-F271 WeakPolarHBondContact OG-CE1 3.43Å; K238-F271 WeakPolarHBondContact CE-O 3.12Å; K238-F271 PolarHBondContact NZ-O 2.92Å; V267-F271 VanDerWaalsContact O-CB 3.29Å; V267-F271 WeakPolarHBondContact O-CB 3.1Å; V267-F271 PolarHBondContact O-N 2.87Å; M268-F271 PolarHBondContact O-N 3.32Å; M268-F271 VanDerWaalsContact O-N 3.15Å; Q269-F271 PolarHBondContact O-N 3.11Å
272Y73.4Confident73.3Confident27 Ų2725.3 Ų25.311%0.10614%0.142CC..Hα-helixtrans-95-31.5175.9-69.8-94.8000113.4I234 S235 K238 T244 F248 M268 Q269 L270I234-Y272 WeakPolarHBondContact CA-OH 3.31Å; I234-Y272 HydrophobicContact CB-CE2 4.44Å; I234-Y272 WeakPolarHBondContact CB-OH 2.93Å; I234-Y272 HydrophobicContact CG2-CE1 3.88Å; I234-Y272 HydrophobicContact CG2-CE2 4.04Å; I234-Y272 WeakPolarHBondContact CG2-OH 3.17Å; I234-Y272 PolarHBondContact O-OH 3.26Å; S235-Y272 WeakPolarHBondContact CA-OH 3.38Å; S235-Y272 PolarHBondContact N-OH 3.49Å; K238-Y272 HydrophobicContact CD-CD1 4.35Å; K238-Y272 HydrophobicContact CD-CE1 4.12Å; K238-Y272 HydrophobicContact CG-CD1 3.71Å; K238-Y272 HydrophobicContact CG-CE1 3.31Å; T244-Y272 HydrophobicContact CG2-CD1 3.46Å; T244-Y272 VanDerWaalsContact CG2-CD1 3.46Å; T244-Y272 HydrophobicContact CG2-CE1 3.77Å; T244-Y272 HydrophobicContact CG2-CG 4.33Å; F248-Y272 AromaticContact CE1-CD1 3.91Å; F248-Y272 HydrophobicContact CE1-CD1 3.91Å; F248-Y272 AromaticContact CE1-CD2 3.47Å; F248-Y272 HydrophobicContact CE1-CD2 3.47Å; F248-Y272 VanDerWaalsContact CE1-CD2 3.47Å; F248-Y272 HydrophobicContact CE1-CE1 4.1Å; F248-Y272 AromaticContact CE1-CE2 3.74Å; F248-Y272 HydrophobicContact CE1-CE2 3.74Å; F248-Y272 AromaticContact CE1-CG 3.64Å; F248-Y272 HydrophobicContact CE1-CG 3.64Å; F248-Y272 HydrophobicContact CZ-CD1 4.03Å; F248-Y272 AromaticContact CZ-CD2 3.5Å; F248-Y272 HydrophobicContact CZ-CD2 3.5Å; F248-Y272 HydrophobicContact CZ-CE2 4.24Å; F248-Y272 AromaticContact CZ-CG 3.45Å; F248-Y272 HydrophobicContact CZ-CG 3.45Å; F248-Y272 VanDerWaalsContact CZ-CG 3.45Å; M268-Y272 HydrophobicContact CG-CD2 4.31Å; M268-Y272 HydrophobicContact CG-CE2 4.41Å; M268-Y272 VanDerWaalsContact O-CD2 3.23Å; M268-Y272 WeakPolarHBondContact O-CD2 3.42Å; M268-Y272 PolarHBondContact O-N 2.9Å; Q269-Y272 PolarHBondContact O-N 3.33Å; L270-Y272 PolarHBondContact O-N 3.35Å; L270-Y272 VanDerWaalsContact O-N 3.08Å
273Y71Confident72.5Confident19 Ų1932 Ų328%0.07518%0.177CC..  trans-130.774.8-179.4-62-60.2000111.8Q269 L270 G275 G276 V280 P330 L333Q269-Y273 WeakPolarHBondContact O-CA 3.49Å; Q269-Y273 WeakPolarHBondContact O-CB 3.29Å; Q269-Y273 PolarHBondContact O-N 3.48Å; L270-Y273 CarbonylContact O-C 3.58Å; L270-Y273 PolarHBondContact O-N 2.82Å; L270-Y273 VanDerWaalsContact O-N 3.15Å; Y273-G275 PolarHBondContact O-N 2.91Å; Y273-G276 PolarHBondContact O-N 2.95Å; Y273-G276 VanDerWaalsContact O-N 3.11Å; Y273-V280 HydrophobicContact CD1-CB 4.46Å; Y273-V280 HydrophobicContact CD1-CG1 4.31Å; Y273-V280 HydrophobicContact CD1-CG2 3.31Å; Y273-V280 HydrophobicContact CE1-CG1 4.2Å; Y273-V280 HydrophobicContact CE1-CG2 3.71Å; Y273-V280 HydrophobicContact CG-CG2 4.29Å; Y273-P330 HydrophobicContact CE1-CB 4.48Å; Y273-L333 HydrophobicContact CE2-CB 3.69Å; Y273-L333 HydrophobicContact CE2-CD1 4.24Å; Y273-L333 WeakPolarHBondContact OH-CB 3.43Å; Y273-L333 WeakPolarHBondContact OH-CD1 3.48Å
274P60.1Low71.8Confident8 Ų834 Ų345%0.05219%0.19CC..THydrogen-bonded Turntrans-55.9-20-172.2-8.6-1.9000117.1R58 W142 I150 L270R58-P274 PolarHBondContact NH2-O 3.3Å; W142-P274 HydrophobicContact CH2-CB 3.3Å; W142-P274 HydrophobicContact CH2-CG 3.38Å; W142-P274 HydrophobicContact CZ3-CB 3.34Å; W142-P274 HydrophobicContact CZ3-CG 3.23Å; I150-P274 HydrophobicContact CD1-CB 3.29Å; I150-P274 HydrophobicContact CD1-CG 3.69Å; I150-P274 HydrophobicContact CG1-CB 3.64Å; I150-P274 HydrophobicContact CG1-CG 3.72Å; L270-P274 VanDerWaalsContact O-CA 3.22Å; L270-P274 WeakPolarHBondContact O-CA 3.37Å; L270-P274 VanDerWaalsContact O-CD 3.25Å; L270-P274 WeakPolarHBondContact O-CD 3.45Å
275G56.9Low71.3Confident20 Ų2034.3 Ų34.321%0.20619%0.191CC..THydrogen-bonded Turntrans-127.818.7-178.200000114.4Y273 E279Y273-G275 PolarHBondContact O-N 2.91Å; G275-E279 WeakPolarHBondContact CA-OE2 3.2Å; G275-E279 WeakPolarHBondContact O-CB 3.03Å; G275-E279 WeakPolarHBondContact O-CG 3.13Å
276G56.3Low71Confident20 Ų2035 Ų3521%0.20620%0.199CC..  trans70.2-176-172.200000113Y273 L278 E279 V280Y273-G276 PolarHBondContact O-N 2.95Å; Y273-G276 VanDerWaalsContact O-N 3.11Å; G276-L278 VanDerWaalsContact C-N 3.26Å; G276-L278 PolarHBondContact O-N 3.43Å; G276-E279 PolarHBondContact O-N 3.43Å; G276-V280 WeakPolarHBondContact O-CG2 3.22Å
277A51.1Low70.8Confident27 Ų2738 Ų3822%0.22321%0.213CC..G310 helixtrans-59.8-34.7-177.600000113.8E279 P330A277-E279 PolarHBondContact O-N 3.03Å; A277-P330 HydrophobicContact CB-CB 4.37Å
278L53.6Low70.6Confident172 Ų17238.7 Ų38.790%0.90122%0.218SC*.G310 helixtrans-69.6-21-174.3-71.4164.1000112.6G276G276-L278 VanDerWaalsContact C-N 3.26Å; G276-L278 PolarHBondContact O-N 3.43Å
279E61.5Low70.8Confident96 Ų9638.7 Ų38.745%0.44922%0.218SC..G310 helixtrans-106.41-177.1-66.5-171.9-170.500114K137 G275 G276 A277 P281K137-E279 IonicContact NZ-OE2 2.63Å; K137-E279 PolarHBondContact NZ-OE2 3.27Å; G275-E279 WeakPolarHBondContact CA-OE2 3.2Å; G275-E279 WeakPolarHBondContact O-CB 3.03Å; G275-E279 WeakPolarHBondContact O-CG 3.13Å; G276-E279 PolarHBondContact O-N 3.43Å; A277-E279 PolarHBondContact O-N 3.03Å; E279-P281 WeakPolarHBondContact O-CD 3.22Å
280V62.2Low70.8Confident18 Ų1839.9 Ų39.911%0.10922%0.222CC..SBendtrans-68.7119176.9-170.10000108.3Y273 G276 L282 F285 Y326Y273-V280 HydrophobicContact CD1-CB 4.46Å; Y273-V280 HydrophobicContact CD1-CG1 4.31Å; Y273-V280 HydrophobicContact CD1-CG2 3.31Å; Y273-V280 HydrophobicContact CE1-CG1 4.2Å; Y273-V280 HydrophobicContact CE1-CG2 3.71Å; Y273-V280 HydrophobicContact CG-CG2 4.29Å; G276-V280 WeakPolarHBondContact O-CG2 3.22Å; V280-L282 PolarHBondContact O-N 2.95Å; V280-F285 HydrophobicContact CG1-CB 3.97Å; V280-F285 HydrophobicContact CG1-CD2 4.17Å; V280-F285 HydrophobicContact CG1-CG 4.39Å; V280-Y326 HydrophobicContact CB-CE2 4.16Å; V280-Y326 WeakPolarHBondContact O-CE2 3.22Å; V280-Y326 VanDerWaalsContact O-CZ 3.23Å; V280-Y326 PolarHBondContact O-OH 2.69Å
281P65.7Low71Confident25 Ų2542.4 Ų42.416%0.16224%0.235CC..  trans-69.6136.5179.3-22.738.3000109.5M148 E279 I283 P284 F285M148-P281 VanDerWaalsContact CE-CD 3.45Å; M148-P281 HydrophobicContact CE-CG 3.67Å; M148-P281 HydrophobicContact SD-CB 4.39Å; M148-P281 WeakPolarHBondContact SD-CD 3.49Å; M148-P281 HydrophobicContact SD-CG 3.28Å; M148-P281 WeakPolarHBondContact SD-CG 3.44Å; E279-P281 WeakPolarHBondContact O-CD 3.22Å; P281-I283 PolarHBondContact O-N 3.48Å; P281-P284 HydrophobicContact CB-CG 4.37Å; P281-P284 WeakPolarHBondContact O-CD 3.29Å; P281-F285 WeakPolarHBondContact O-CB 3.48Å; P281-F285 PolarHBondContact O-N 2.89Å
282L65.7Low71.7Confident67 Ų6742.3 Ų42.335%0.35124%0.235SC..Hα-helixtrans-57.6-35.8-176.1-178.863.3000112.6V280 A286 Y326V280-L282 PolarHBondContact O-N 2.95Å; L282-A286 WeakPolarHBondContact O-CB 2.92Å; L282-A286 PolarHBondContact O-N 3.31Å; L282-Y326 HydrophobicContact CB-CD2 4.46Å; L282-Y326 HydrophobicContact CB-CE2 4.44Å; L282-Y326 VanDerWaalsContact CD1-CB 3.43Å; L282-Y326 HydrophobicContact CD1-CD1 4.04Å; L282-Y326 HydrophobicContact CD1-CD2 3.53Å; L282-Y326 HydrophobicContact CD1-CE2 4.28Å; L282-Y326 HydrophobicContact CD1-CG 3.38Å
283I67.4Low72.4Confident141 Ų14141 Ų4172%0.72323%0.23SC*.Hα-helixtrans-69.8-56-172.3-60.5169000112.6P281 F285 A286 E287P281-I283 PolarHBondContact O-N 3.48Å; I283-F285 PolarHBondContact O-N 3.45Å; I283-A286 PolarHBondContact O-N 3.4Å; I283-E287 PolarHBondContact O-N 3.48Å
284P75.6Confident73Confident46 Ų4641.9 Ų41.930%0.29924%0.235SC..Hα-helixtrans-59.7-35.6174.6-23.134.1000112.6K145 P281 E287 S288K145-P284 VanDerWaalsContact O-CG 3.29Å; K145-P284 WeakPolarHBondContact O-CG 3.46Å; P281-P284 HydrophobicContact CB-CG 4.37Å; P281-P284 WeakPolarHBondContact O-CD 3.29Å; P284-E287 PolarHBondContact O-N 3.19Å; P284-S288 WeakPolarHBondContact O-CB 3.37Å; P284-S288 PolarHBondContact O-N 2.95Å
285F81.3Confident74.1Confident7 Ų745.9 Ų45.93%0.03125%0.251CS..Hα-helixtrans-64.6-51.4177.3-177.6-95.5000111.7Y241 V280 P281 I283 E287 S288 V289 Y326 L329 P330Y241-F285 HydrophobicContact CD2-CE2 4Å; Y241-F285 HydrophobicContact CD2-CZ 4.17Å; Y241-F285 HydrophobicContact CE2-CE2 4.14Å; Y241-F285 HydrophobicContact CE2-CZ 4.17Å; V280-F285 HydrophobicContact CG1-CB 3.97Å; V280-F285 HydrophobicContact CG1-CD2 4.17Å; V280-F285 HydrophobicContact CG1-CG 4.39Å; P281-F285 WeakPolarHBondContact O-CB 3.48Å; P281-F285 PolarHBondContact O-N 2.89Å; I283-F285 PolarHBondContact O-N 3.45Å; F285-E287 VanDerWaalsContact C-N 3.26Å; F285-E287 PolarHBondContact O-N 3Å; F285-S288 WeakPolarHBondContact O-CB 3.22Å; F285-S288 PolarHBondContact O-N 3.28Å; F285-S288 PolarHBondContact O-OG 2.96Å; F285-V289 HydrophobicContact CD1-CG2 4.24Å; F285-V289 HydrophobicContact CE1-CG2 3.6Å; F285-V289 HydrophobicContact CE2-CG2 4.31Å; F285-V289 HydrophobicContact CZ-CG2 3.61Å; F285-V289 PolarHBondContact O-N 3.38Å; F285-Y326 HydrophobicContact CB-CD2 4.24Å; F285-Y326 AromaticContact CD1-CD2 3.7Å; F285-Y326 HydrophobicContact CD1-CD2 3.7Å; F285-Y326 HydrophobicContact CD1-CG 4.44Å; F285-Y326 HydrophobicContact CE1-CD2 4.39Å; F285-Y326 HydrophobicContact CG-CD2 4.02Å; F285-L329 HydrophobicContact CE1-CB 4.36Å; F285-L329 HydrophobicContact CZ-CB 3.63Å; F285-L329 HydrophobicContact CZ-CD1 4.36Å; F285-P330 HydrophobicContact CD2-CG 4.27Å; F285-P330 HydrophobicContact CE1-CG 4.41Å; F285-P330 HydrophobicContact CE2-CG 3.78Å; F285-P330 HydrophobicContact CZ-CG 3.89Å
286A83Confident75.5Confident23 Ų2345.6 Ų45.619%0.1925%0.245CC..Hα-helixtrans-57.3-42.1177.600000111.1L282 I283 V289 R290 M322L282-A286 WeakPolarHBondContact O-CB 2.92Å; L282-A286 PolarHBondContact O-N 3.31Å; I283-A286 PolarHBondContact O-N 3.4Å; A286-V289 PolarHBondContact O-N 3.11Å; A286-R290 VanDerWaalsContact O-CB 3.27Å; A286-R290 WeakPolarHBondContact O-CB 3.35Å; A286-R290 PolarHBondContact O-N 3.26Å; A286-M322 HydrophobicContact CB-CE 3.64Å
287E83.1Confident76.6Confident65 Ų6544.6 Ų44.630%0.30424%0.235SC..Hα-helixtrans-63-40.9174.8-175.263.5-169.400112.1I283 P284 F285 V289 R290 L291I283-E287 PolarHBondContact O-N 3.48Å; P284-E287 PolarHBondContact O-N 3.19Å; F285-E287 VanDerWaalsContact C-N 3.26Å; F285-E287 PolarHBondContact O-N 3Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 3.2Å; E287-R290 WeakPolarHBondContact O-CB 3.47Å; E287-R290 PolarHBondContact O-N 3.12Å; E287-R290 IonicContact OE1-CZ 3.65Å; E287-R290 IonicContact OE1-NE 3.74Å; E287-R290 PolarHBondContact OE1-NE 2.67Å; E287-R290 IonicContact OE1-NH2 3.61Å; E287-R290 PolarHBondContact OE1-NH2 2.92Å; E287-R290 IonicContact OE2-CZ 3.28Å; E287-R290 IonicContact OE2-NE 3.19Å; E287-R290 PolarHBondContact OE2-NE 3.03Å; E287-R290 IonicContact OE2-NH2 2.66Å; E287-L291 HydrophobicContact CG-CD1 4.09Å; E287-L291 HydrophobicContact CG-CG 4.45Å; E287-L291 WeakPolarHBondContact O-CB 3.35Å; E287-L291 VanDerWaalsContact O-CG 3.27Å; E287-L291 WeakPolarHBondContact O-CG 3.27Å; E287-L291 PolarHBondContact O-N 3.42Å
288S85.8Confident77.6Confident18 Ų1844.8 Ų44.813%0.12623%0.231CC..Hα-helixtrans-63.8-36.417881.60000112.9Y241 P284 F285 A292Y241-S288 PolarHBondContact N-O 3.22Å; P284-S288 WeakPolarHBondContact O-CB 3.37Å; P284-S288 PolarHBondContact O-N 2.95Å; F285-S288 WeakPolarHBondContact O-CB 3.22Å; F285-S288 PolarHBondContact O-N 3.28Å; F285-S288 PolarHBondContact O-OG 2.96Å; S288-A292 WeakPolarHBondContact O-CB 3.47Å; S288-A292 PolarHBondContact O-N 2.69Å; S288-A292 VanDerWaalsContact O-N 3.13Å
289V89.7Confident78.3Confident0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-73.3-42.2175173.20000110Y241 F285 A286 E287 L291 A292 M293 M322 L329 F394Y241-V289 HydrophobicContact CD2-CG2 4.14Å; Y241-V289 HydrophobicContact CG-CG2 4.16Å; F285-V289 HydrophobicContact CD1-CG2 4.24Å; F285-V289 HydrophobicContact CE1-CG2 3.6Å; F285-V289 HydrophobicContact CE2-CG2 4.31Å; F285-V289 HydrophobicContact CZ-CG2 3.61Å; F285-V289 PolarHBondContact O-N 3.38Å; A286-V289 PolarHBondContact O-N 3.11Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 3.2Å; V289-L291 PolarHBondContact O-N 2.97Å; V289-A292 CarbonylContact O-C 3.52Å; V289-A292 WeakPolarHBondContact O-CA 3.09Å; V289-A292 VanDerWaalsContact O-CB 3.31Å; V289-A292 WeakPolarHBondContact O-CB 3.3Å; V289-A292 PolarHBondContact O-N 2.85Å; V289-M293 HydrophobicContact CG1-CE 3.84Å; V289-M293 HydrophobicContact CG1-SD 4.34Å; V289-M293 WeakPolarHBondContact O-CG 3.42Å; V289-M293 PolarHBondContact O-N 3.38Å; V289-M322 HydrophobicContact CB-CE 4.1Å; V289-M322 HydrophobicContact CG1-CE 4.1Å; V289-L329 HydrophobicContact CG1-CD1 4.28Å; V289-L329 HydrophobicContact CG2-CD1 3.92Å; V289-F394 HydrophobicContact CG1-CE1 4Å; V289-F394 HydrophobicContact CG1-CZ 4.14Å
290R85.7Confident78.4Confident33 Ų3335.1 Ų35.113%0.12519%0.187CC..Hα-helixtrans-55.6-49.6174.5-163.5-174.872.567.522.4111.4A286 E287 A292 M293 E294 L302A286-R290 VanDerWaalsContact O-CB 3.27Å; A286-R290 WeakPolarHBondContact O-CB 3.35Å; A286-R290 PolarHBondContact O-N 3.26Å; E287-R290 WeakPolarHBondContact O-CB 3.47Å; E287-R290 PolarHBondContact O-N 3.12Å; E287-R290 IonicContact OE1-CZ 3.65Å; E287-R290 IonicContact OE1-NE 3.74Å; E287-R290 PolarHBondContact OE1-NE 2.67Å; E287-R290 IonicContact OE1-NH2 3.61Å; E287-R290 PolarHBondContact OE1-NH2 2.92Å; E287-R290 IonicContact OE2-CZ 3.28Å; E287-R290 IonicContact OE2-NE 3.19Å; E287-R290 PolarHBondContact OE2-NE 3.03Å; E287-R290 IonicContact OE2-NH2 2.66Å; R290-A292 VanDerWaalsContact C-N 3.25Å; R290-A292 PolarHBondContact O-N 2.66Å; R290-M293 WeakPolarHBondContact O-CB 3Å; R290-M293 PolarHBondContact O-N 3.45Å; R290-E294 IonicContact CZ-OE1 3.73Å; R290-E294 VanDerWaalsContact NH1-CD 3.32Å; R290-E294 IonicContact NH1-OE1 3.44Å; R290-E294 PolarHBondContact NH1-OE1 3.05Å; R290-E294 IonicContact NH1-OE2 2.78Å; R290-E294 IonicContact NH2-OE1 2.74Å; R290-E294 IonicContact NH2-OE2 3Å; R290-E294 WeakPolarHBondContact O-CG 3.47Å; R290-E294 PolarHBondContact O-N 3.43Å; R290-L302 HydrophobicContact CB-CD1 4.5Å; R290-L302 HydrophobicContact CG-CB 4.1Å; R290-L302 HydrophobicContact CG-CD1 3.63Å; R290-L302 HydrophobicContact CG-CD2 3.49Å; R290-L302 VanDerWaalsContact CG-CD2 3.49Å; R290-L302 HydrophobicContact CG-CG 3.91Å; R290-L302 PolarHBondContact NH1-O 2.9Å
291L86.2Confident78.4Confident56 Ų5636 Ų3629%0.29319%0.189SC..Hα-helixtrans-64.2-30.7176.1-70.2170.6000112.1G239 N240 E287 V289 E294 K295G239-L291 WeakPolarHBondContact O-CD1 3.46Å; N240-L291 PolarHBondContact ND2-O 3.49Å; E287-L291 HydrophobicContact CG-CD1 4.09Å; E287-L291 HydrophobicContact CG-CG 4.45Å; E287-L291 WeakPolarHBondContact O-CB 3.35Å; E287-L291 VanDerWaalsContact O-CG 3.27Å; E287-L291 WeakPolarHBondContact O-CG 3.27Å; E287-L291 PolarHBondContact O-N 3.42Å; V289-L291 PolarHBondContact O-N 2.97Å; L291-E294 WeakPolarHBondContact CD2-OE2 3.21Å; L291-K295 VanDerWaalsContact O-CB 3.25Å; L291-K295 WeakPolarHBondContact O-CB 3.44Å; L291-K295 PolarHBondContact O-N 3.24Å
292A89.7Confident78.1Confident0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-70-42.6174.300000112.1N240 L242 S288 V289 R290 K295 L296 F394N240-A292 WeakPolarHBondContact ND2-CA 3.26Å; N240-A292 PolarHBondContact ND2-N 3.36Å; L242-A292 HydrophobicContact CB-CB 3.85Å; S288-A292 WeakPolarHBondContact O-CB 3.47Å; S288-A292 PolarHBondContact O-N 2.69Å; S288-A292 VanDerWaalsContact O-N 3.13Å; V289-A292 CarbonylContact O-C 3.52Å; V289-A292 WeakPolarHBondContact O-CA 3.09Å; V289-A292 VanDerWaalsContact O-CB 3.31Å; V289-A292 WeakPolarHBondContact O-CB 3.3Å; V289-A292 PolarHBondContact O-N 2.85Å; R290-A292 VanDerWaalsContact C-N 3.25Å; R290-A292 PolarHBondContact O-N 2.66Å; A292-K295 PolarHBondContact O-N 2.77Å; A292-L296 WeakPolarHBondContact O-CB 3.26Å; A292-L296 PolarHBondContact O-N 3.35Å; A292-F394 HydrophobicContact CB-CE2 3.76Å; A292-F394 HydrophobicContact CB-CZ 4.05Å
293M88.4Confident77.5Confident0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-61.6-48.6172.9-68.4168.3169.700111.3V289 R290 K295 L296 C297 M298 P299 L302 M391 F394 Y395V289-M293 HydrophobicContact CG1-CE 3.84Å; V289-M293 HydrophobicContact CG1-SD 4.34Å; V289-M293 WeakPolarHBondContact O-CG 3.42Å; V289-M293 PolarHBondContact O-N 3.38Å; R290-M293 WeakPolarHBondContact O-CB 3Å; R290-M293 PolarHBondContact O-N 3.45Å; M293-K295 VanDerWaalsContact C-N 3.3Å; M293-K295 PolarHBondContact O-N 3.26Å; M293-L296 PolarHBondContact O-N 3.41Å; M293-L296 VanDerWaalsContact O-N 3.13Å; M293-C297 PolarHBondContact O-N 2.83Å; M293-C297 PolarHBondContact O-SG 3.18Å; M293-M298 PolarHBondContact O-N 2.93Å; M293-P299 HydrophobicContact CB-CG 4.29Å; M293-L302 HydrophobicContact CB-CD1 3.64Å; M293-L302 HydrophobicContact CG-CD1 4.49Å; M293-L302 HydrophobicContact SD-CD1 4.04Å; M293-M391 HydrophobicContact CE-SD 4.34Å; M293-M391 HydrophobicContact SD-CE 4Å; M293-M391 HydrophobicContact SD-SD 3.78Å; M293-F394 HydrophobicContact CB-CD2 4.37Å; M293-F394 HydrophobicContact CE-CD1 3.58Å; M293-F394 HydrophobicContact CE-CE1 3.76Å; M293-F394 HydrophobicContact CE-CG 4.37Å; M293-F394 HydrophobicContact CG-CB 4.21Å; M293-F394 HydrophobicContact CG-CD1 3.68Å; M293-F394 HydrophobicContact CG-CD2 3.77Å; M293-F394 HydrophobicContact CG-CE1 3.9Å; M293-F394 HydrophobicContact CG-CE2 4Å; M293-F394 HydrophobicContact CG-CG 3.6Å; M293-F394 HydrophobicContact CG-CZ 4.06Å; M293-Y395 HydrophobicContact CE-CE1 4.49Å; M293-Y395 HydrophobicContact CE-CE2 3.47Å; M293-Y395 VanDerWaalsContact CE-CE2 3.47Å; M293-Y395 VanDerWaalsContact CE-CZ 3.44Å; M293-Y395 WeakPolarHBondContact CE-OH 3.4Å
294E83.6Confident76.7Confident38 Ų3836.1 Ų36.118%0.17818%0.184CC..Hα-helixtrans-54.8-48.6173.5-72.9-175.4158.300110.9R290 L291 L296 M298 L302R290-E294 IonicContact CZ-OE1 3.73Å; R290-E294 VanDerWaalsContact NH1-CD 3.32Å; R290-E294 IonicContact NH1-OE1 3.44Å; R290-E294 PolarHBondContact NH1-OE1 3.05Å; R290-E294 IonicContact NH1-OE2 2.78Å; R290-E294 IonicContact NH2-OE1 2.74Å; R290-E294 IonicContact NH2-OE2 3Å; R290-E294 WeakPolarHBondContact O-CG 3.47Å; R290-E294 PolarHBondContact O-N 3.43Å; L291-E294 WeakPolarHBondContact CD2-OE2 3.21Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 3.08Å; E294-M298 HydrophobicContact CB-SD 4.22Å; E294-M298 WeakPolarHBondContact O-CG 3.44Å; E294-M298 PolarHBondContact O-N 3.27Å; E294-L302 HydrophobicContact CG-CB 3.93Å; E294-L302 HydrophobicContact CG-CD1 4.02Å
295K83.8Confident75.2Confident92 Ų9241 Ų4140%0.421%0.207SC..Hα-helixtrans-62.8-32179.7-177.2177178.5-170.80112.9I243 L291 A292 M293 R478I243-K295 HydrophobicContact CD1-CD 4.09Å; I243-K295 HydrophobicContact CG1-CD 4.12Å; L291-K295 VanDerWaalsContact O-CB 3.25Å; L291-K295 WeakPolarHBondContact O-CB 3.44Å; L291-K295 PolarHBondContact O-N 3.24Å; A292-K295 PolarHBondContact O-N 2.77Å; M293-K295 VanDerWaalsContact C-N 3.3Å; M293-K295 PolarHBondContact O-N 3.26Å; K295-R478 PolarHBondContact O-NH2 3.16Å
296L86.2Confident73.7Confident13 Ų1341.8 Ų41.87%0.06822%0.215CC..Hα-helixtrans-88.9-56.6-176-174.162.8000111.8L242 A292 M293 E294 F394 Y397 C443 R478L242-L296 HydrophobicContact CD2-CB 4.3Å; L242-L296 HydrophobicContact CD2-CD1 4.32Å; A292-L296 WeakPolarHBondContact O-CB 3.26Å; A292-L296 PolarHBondContact O-N 3.35Å; M293-L296 PolarHBondContact O-N 3.41Å; M293-L296 VanDerWaalsContact O-N 3.13Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 3.08Å; L296-F394 HydrophobicContact CB-CD2 4.41Å; L296-F394 HydrophobicContact CD2-CB 4.48Å; L296-F394 HydrophobicContact CD2-CD2 3.89Å; L296-Y397 HydrophobicContact CD2-CD1 4Å; L296-Y397 HydrophobicContact CD2-CD2 4.41Å; L296-Y397 HydrophobicContact CD2-CG 3.83Å; L296-C443 HydrophobicContact CD1-CB 4.39Å; L296-C443 HydrophobicContact CG-CB 4.28Å; L296-R478 PolarHBondContact O-NH2 2.83Å; L296-R478 VanDerWaalsContact O-NH2 3.11Å
297C79.2Confident72Confident0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-124.9-2.2-166.456.60000115.1M293 N390 C443 F446M293-C297 PolarHBondContact O-N 2.83Å; M293-C297 PolarHBondContact O-SG 3.18Å; C297-N390 HydrophobicContact CB-CB 4.26Å; C297-N390 PolarHBondContact O-ND2 2.91Å; C297-N390 PolarHBondContact SG-O 3.41Å; C297-C443 HydrophobicContact CB-CB 4.38Å; C297-F446 HydrophobicContact CB-CD2 4.04Å; C297-F446 WeakPolarHBondContact O-CB 3.36Å
298M72.4Confident70.4Confident31 Ų3145.7 Ų45.715%0.15324%0.241CC..  trans44.161.4179.1-70.1-67.6-67.900113.5M293 E294 N390 V447 F450M293-M298 PolarHBondContact O-N 2.93Å; E294-M298 HydrophobicContact CB-SD 4.22Å; E294-M298 WeakPolarHBondContact O-CG 3.44Å; E294-M298 PolarHBondContact O-N 3.27Å; M298-N390 PolarHBondContact O-ND2 3.39Å; M298-V447 HydrophobicContact CB-CG2 4.15Å; M298-V447 HydrophobicContact CG-CG2 3.81Å; M298-F450 HydrophobicContact CB-CB 4.25Å; M298-F450 HydrophobicContact CB-CD1 4.47Å; M298-F450 HydrophobicContact CB-CD2 4.46Å; M298-F450 HydrophobicContact CB-CG 4.14Å; M298-F450 HydrophobicContact CE-CD1 3.43Å; M298-F450 VanDerWaalsContact CE-CD1 3.43Å; M298-F450 HydrophobicContact CE-CD2 4.41Å; M298-F450 HydrophobicContact CE-CE1 3.11Å; M298-F450 HydrophobicContact CE-CE2 4.16Å; M298-F450 HydrophobicContact CE-CG 4.08Å; M298-F450 HydrophobicContact CE-CZ 3.53Å
299P69.1Low68.7Low3 Ų349.4 Ų49.42%0.01926%0.258CS..  trans-61.7134.8177.229-35.7000110M293 Y301 L302 N390 M391M293-P299 HydrophobicContact CB-CG 4.29Å; P299-Y301 PolarHBondContact O-N 2.97Å; P299-L302 HydrophobicContact CB-CG 4.47Å; P299-L302 HydrophobicContact CG-CB 4.14Å; P299-L302 HydrophobicContact CG-CD1 3.24Å; P299-L302 HydrophobicContact CG-CG 3.53Å; P299-L302 PolarHBondContact O-N 3.24Å; P299-N390 HydrophobicContact CB-CB 3.94Å; P299-M391 HydrophobicContact CB-SD 3.86Å; P299-M391 HydrophobicContact CG-SD 3.94Å
300P62.4Low67.1Low61 Ų6157.6 Ų57.640%0.39630%0.296SS..THydrogen-bonded Turntrans-63.5-15.8-170.917.7-26.9000114.8P303P300-P303 WeakPolarHBondContact O-CD 3.26Å
301Y62.3Low66.1Low38 Ų3858.3 Ų58.315%0.14930%0.303CS..THydrogen-bonded Turntrans-96.9-13.8-173.2-67.5-100.1000115P299 P303 T308 L314 I368P299-Y301 PolarHBondContact O-N 2.97Å; Y301-P303 VanDerWaalsContact C-CD 3.43Å; Y301-T308 WeakPolarHBondContact CD1-OG1 3.36Å; Y301-T308 HydrophobicContact CE1-CG2 3.97Å; Y301-T308 VanDerWaalsContact CE1-OG1 3.28Å; Y301-T308 WeakPolarHBondContact CE1-OG1 3.5Å; Y301-L314 HydrophobicContact CD1-CD2 3.84Å; Y301-L314 HydrophobicContact CE1-CD2 3.68Å; Y301-I368 HydrophobicContact CD2-CD1 3.69Å; Y301-I368 HydrophobicContact CD2-CG1 3.81Å; Y301-I368 HydrophobicContact CD2-CG2 4.07Å; Y301-I368 HydrophobicContact CE1-CG1 4.38Å; Y301-I368 HydrophobicContact CE2-CB 3.91Å; Y301-I368 HydrophobicContact CE2-CD1 3.94Å; Y301-I368 HydrophobicContact CE2-CG1 3.6Å; Y301-I368 HydrophobicContact CE2-CG2 3.22Å; Y301-I368 HydrophobicContact CG-CD1 4.31Å; Y301-I368 HydrophobicContact CG-CG1 4.36Å
302L59Low65.6Low13 Ų1360.3 Ų60.37%0.06832%0.317CS..  trans-75.2-25.2-179.7-69.3-176.7000115.9R290 M293 E294 P299 K304 F318 M391R290-L302 HydrophobicContact CB-CD1 4.5Å; R290-L302 HydrophobicContact CG-CB 4.1Å; R290-L302 HydrophobicContact CG-CD1 3.63Å; R290-L302 HydrophobicContact CG-CD2 3.49Å; R290-L302 VanDerWaalsContact CG-CD2 3.49Å; R290-L302 HydrophobicContact CG-CG 3.91Å; R290-L302 PolarHBondContact NH1-O 2.9Å; M293-L302 HydrophobicContact CB-CD1 3.64Å; M293-L302 HydrophobicContact CG-CD1 4.49Å; M293-L302 HydrophobicContact SD-CD1 4.04Å; E294-L302 HydrophobicContact CG-CB 3.93Å; E294-L302 HydrophobicContact CG-CD1 4.02Å; P299-L302 HydrophobicContact CB-CG 4.47Å; P299-L302 HydrophobicContact CG-CB 4.14Å; P299-L302 HydrophobicContact CG-CD1 3.24Å; P299-L302 HydrophobicContact CG-CG 3.53Å; P299-L302 PolarHBondContact O-N 3.24Å; L302-K304 PolarHBondContact O-N 3.38Å; L302-F318 HydrophobicContact CD2-CE2 4.09Å; L302-F318 HydrophobicContact CD2-CZ 3.71Å; L302-M391 HydrophobicContact CD2-CE 4.28Å; L302-M391 HydrophobicContact CG-CE 4.44Å
303P54Low65.2Low47 Ų4764 Ų6431%0.30534%0.337SS..SBendtrans-58.3133.3174.7-2333.4000110.8P300 Y301 N305 A306P300-P303 WeakPolarHBondContact O-CD 3.26Å; Y301-P303 VanDerWaalsContact C-CD 3.43Å; P303-N305 PolarHBondContact O-N 3.44Å; P303-A306 WeakPolarHBondContact O-CB 3.31Å; P303-A306 PolarHBondContact O-N 2.94Å
304K50.1Low64.9Low174 Ų17464.3 Ų64.376%0.75734%0.339SS*.THydrogen-bonded Turntrans-52.8-12-175.6-66.3-173.2176.8-171.80115.9L302L302-K304 PolarHBondContact O-N 3.38Å
305N43.7Very low64.8Low148 Ų14864.5 Ų64.579%0.79134%0.344SS*.THydrogen-bonded Turntrans-107.613.7-177.3-61.3-4.4000112.9P303 T307P303-N305 PolarHBondContact O-N 3.44Å; N305-T307 PolarHBondContact O-N 3.34Å
306A50.3Low65Low24 Ų2466.8 Ų66.820%0.19835%0.35CS..  trans-67.995.7173.800000109.3P303 T308 M309P303-A306 WeakPolarHBondContact O-CB 3.31Å; P303-A306 PolarHBondContact O-N 2.94Å; A306-T308 PolarHBondContact O-N 2.84Å; A306-M309 PolarHBondContact O-N 3.06Å
307T47.2Very low65Low116 Ų11667 Ų6771%0.71235%0.354SS*.G310 helixtrans-55.6-10.4172.945.70000113.2N305 M309N305-T307 PolarHBondContact O-N 3.34Å; T307-M309 VanDerWaalsContact C-N 3.27Å; T307-M309 PolarHBondContact O-N 3.32Å
308T49.9Very low65.4Low54 Ų5469 Ų6933%0.33136%0.363SS..G310 helixtrans-75.8-1.3177.151.20000115.3Y301 A306 E310 D311Y301-T308 WeakPolarHBondContact CD1-OG1 3.36Å; Y301-T308 HydrophobicContact CE1-CG2 3.97Å; Y301-T308 VanDerWaalsContact CE1-OG1 3.28Å; Y301-T308 WeakPolarHBondContact CE1-OG1 3.5Å; A306-T308 PolarHBondContact O-N 2.84Å; T308-E310 PolarHBondContact O-N 2.83Å; T308-D311 PolarHBondContact O-N 3.05Å
309M50Low66.1Low97 Ų9769.6 Ų69.648%0.47837%0.373SS..G310 helixtrans-71.20.2170.8-84.1-99117.800113.6A306 T307 D311 F318A306-M309 PolarHBondContact O-N 3.06Å; T307-M309 VanDerWaalsContact C-N 3.27Å; T307-M309 PolarHBondContact O-N 3.32Å; M309-D311 VanDerWaalsContact C-N 3.26Å; M309-D311 PolarHBondContact O-N 3.37Å; M309-F318 HydrophobicContact CE-CD1 4.46Å
310E56.3Low67.1Low172 Ų17273 Ų7380%0.80439%0.393SS*.G310 helixtrans-68.9-22.5171-67.5178.2-177.500112.9T308 T312T308-E310 PolarHBondContact O-N 2.83Å; E310-T312 PolarHBondContact O-N 2.87Å; E310-T312 VanDerWaalsContact O-N 3.15Å
311D65.3Low68.6Low48 Ų4870.1 Ų70.126%0.25738%0.375SS..  trans-74.1104.3175.7-174.1-17.8000111.1T308 M309 D313 L314 S315 N371T308-D311 PolarHBondContact O-N 3.05Å; M309-D311 VanDerWaalsContact C-N 3.26Å; M309-D311 PolarHBondContact O-N 3.37Å; D311-D313 PolarHBondContact O-N 3.12Å; D311-D313 PolarHBondContact OD1-N 2.9Å; D311-L314 HydrophobicContact CB-CB 4.1Å; D311-L314 PolarHBondContact O-N 3.45Å; D311-L314 PolarHBondContact OD1-N 3.37Å; D311-S315 VanDerWaalsContact O-CB 3.31Å; D311-S315 WeakPolarHBondContact O-CB 3.38Å; D311-S315 PolarHBondContact O-N 3.37Å; D311-N371 PolarHBondContact OD2-ND2 2.92Å
312T74.4Confident69.9Low97 Ų9769 Ų6960%0.59537%0.371SS*.Hα-helixtrans-60.9-28.6179.747.90000113.5E310 R316E310-T312 PolarHBondContact O-N 2.87Å; E310-T312 VanDerWaalsContact O-N 3.15Å; T312-R316 WeakPolarHBondContact O-CB 3.37Å; T312-R316 PolarHBondContact O-N 2.64Å
313D82.1Confident71.4Confident79 Ų7972 Ų7242%0.42239%0.387SS..Hα-helixtrans-81.7-36.1-177.9-79.1-10.8000112.9D311 R316 A317 K367D311-D313 PolarHBondContact O-N 3.12Å; D311-D313 PolarHBondContact OD1-N 2.9Å; D313-R316 IonicContact OD1-CZ 2.67Å; D313-R316 IonicContact OD1-NH1 3.16Å; D313-R316 PolarHBondContact OD1-NH1 3.3Å; D313-R316 IonicContact OD1-NH2 2.68Å; D313-A317 WeakPolarHBondContact O-CB 3.47Å; D313-A317 PolarHBondContact O-N 2.86Å; D313-A317 VanDerWaalsContact O-N 3.1Å; D313-K367 PolarHBondContact O-NZ 3.25Å; D313-K367 VanDerWaalsContact O-NZ 3.08Å
314L81.7Confident73.3Confident6 Ų670.8 Ų70.83%0.03138%0.38CS..Hα-helixtrans-69.8-46.3171.9177.160.7000110.7Y301 D311 R316 A317 F318 V364 K367 I368Y301-L314 HydrophobicContact CD1-CD2 3.84Å; Y301-L314 HydrophobicContact CE1-CD2 3.68Å; D311-L314 HydrophobicContact CB-CB 4.1Å; D311-L314 PolarHBondContact O-N 3.45Å; D311-L314 PolarHBondContact OD1-N 3.37Å; L314-R316 VanDerWaalsContact C-N 3.3Å; L314-R316 PolarHBondContact O-N 3.17Å; L314-A317 PolarHBondContact O-N 3.21Å; L314-F318 WeakPolarHBondContact O-CB 3.39Å; L314-F318 PolarHBondContact O-N 3.2Å; L314-V364 HydrophobicContact CD1-CG1 4.04Å; L314-K367 HydrophobicContact CD1-CB 4.07Å; L314-I368 HydrophobicContact CD1-CG1 3.82Å; L314-I368 HydrophobicContact CD2-CG1 4.18Å
315S82.5Confident75.4Confident42 Ų4262.5 Ų62.529%0.29434%0.344SS..Hα-helixtrans-58-43.4177-176.80000111.4D311 F318 A319D311-S315 VanDerWaalsContact O-CB 3.31Å; D311-S315 WeakPolarHBondContact O-CB 3.38Å; D311-S315 PolarHBondContact O-N 3.37Å; S315-F318 PolarHBondContact O-N 3.29Å; S315-A319 WeakPolarHBondContact O-CB 3.36Å; S315-A319 PolarHBondContact O-N 3.48Å
316R86.3Confident77.5Confident139 Ų13958.1 Ų58.153%0.52532%0.317SS..Hα-helixtrans-63.6-44.6174.9-166.2-176.8-53.3108.76.8112.4T312 D313 L314 A319 V320T312-R316 WeakPolarHBondContact O-CB 3.37Å; T312-R316 PolarHBondContact O-N 2.64Å; D313-R316 IonicContact OD1-CZ 2.67Å; D313-R316 IonicContact OD1-NH1 3.16Å; D313-R316 PolarHBondContact OD1-NH1 3.3Å; D313-R316 IonicContact OD1-NH2 2.68Å; L314-R316 VanDerWaalsContact C-N 3.3Å; L314-R316 PolarHBondContact O-N 3.17Å; R316-A319 PolarHBondContact O-N 3.04Å; R316-V320 WeakPolarHBondContact O-CG2 3.26Å; R316-V320 PolarHBondContact O-N 3.05Å
317A87.1Confident79.4Confident19 Ų1964.4 Ų64.416%0.15734%0.339CS..Hα-helixtrans-63.1-42.6178.500000112D313 L314 V320 L321 V364 K367D313-A317 WeakPolarHBondContact O-CB 3.47Å; D313-A317 PolarHBondContact O-N 2.86Å; D313-A317 VanDerWaalsContact O-N 3.1Å; L314-A317 PolarHBondContact O-N 3.21Å; A317-V320 PolarHBondContact O-N 2.91Å; A317-L321 PolarHBondContact O-N 3.03Å; A317-V364 HydrophobicContact CB-CG2 4Å; A317-K367 HydrophobicContact CB-CD 3.93Å
318F87.4Confident81.6Confident40 Ų4059.4 Ų59.418%0.17531%0.309CS..Hα-helixtrans-64.7-42175.3-178.4-107.6000112L302 M309 L314 S315 V320 L321 M322 M391L302-F318 HydrophobicContact CD2-CE2 4.09Å; L302-F318 HydrophobicContact CD2-CZ 3.71Å; M309-F318 HydrophobicContact CE-CD1 4.46Å; L314-F318 WeakPolarHBondContact O-CB 3.39Å; L314-F318 PolarHBondContact O-N 3.2Å; S315-F318 PolarHBondContact O-N 3.29Å; F318-V320 VanDerWaalsContact C-N 3.34Å; F318-V320 PolarHBondContact O-N 3.37Å; F318-L321 WeakPolarHBondContact O-CB 3.32Å; F318-L321 PolarHBondContact O-N 2.87Å; F318-M322 HydrophobicContact CD1-CG 4.21Å; F318-M322 HydrophobicContact CD2-CG 4.36Å; F318-M322 HydrophobicContact CE1-CG 3.73Å; F318-M322 HydrophobicContact CE1-SD 4.48Å; F318-M322 HydrophobicContact CE2-CG 3.88Å; F318-M322 HydrophobicContact CE2-SD 3.85Å; F318-M322 HydrophobicContact CZ-CG 3.55Å; F318-M322 HydrophobicContact CZ-SD 3.71Å; F318-M322 WeakPolarHBondContact O-CG 3.34Å; F318-M322 PolarHBondContact O-N 2.89Å; F318-M391 HydrophobicContact CD2-CE 3.71Å; F318-M391 HydrophobicContact CE2-CE 3.34Å; F318-M391 HydrophobicContact CZ-CE 4.43Å
319A86.9Confident83.6Confident44 Ų4456.9 Ų56.936%0.36429%0.293SS..Hα-helixtrans-61.2-41175.600000112.3S315 R316 M322 N323S315-A319 WeakPolarHBondContact O-CB 3.36Å; S315-A319 PolarHBondContact O-N 3.48Å; R316-A319 PolarHBondContact O-N 3.04Å; A319-M322 PolarHBondContact O-N 3.16Å; A319-N323 WeakPolarHBondContact O-CB 3.32Å; A319-N323 VanDerWaalsContact O-CG 3.26Å; A319-N323 PolarHBondContact O-N 3.32Å; A319-N323 PolarHBondContact O-ND2 3.23Å
320V91Very high85.4Confident74 Ų7452.3 Ų52.345%0.44827%0.271SS..Hα-helixtrans-61.3-481741710000110.9R316 A317 F318 M322 N323 S324R316-V320 WeakPolarHBondContact O-CG2 3.26Å; R316-V320 PolarHBondContact O-N 3.05Å; A317-V320 PolarHBondContact O-N 2.91Å; F318-V320 VanDerWaalsContact C-N 3.34Å; F318-V320 PolarHBondContact O-N 3.37Å; V320-M322 PolarHBondContact O-N 2.92Å; V320-N323 PolarHBondContact O-N 2.86Å; V320-S324 PolarHBondContact O-N 3.23Å; V320-S324 PolarHBondContact O-OG 3.4Å; V320-S324 VanDerWaalsContact O-OG 3.13Å
321L92.7Very high86.9Confident1 Ų146.4 Ų46.41%0.00525%0.245CC..Hα-helixtrans-56.8-47.5176.9175.663.8000111.6A317 F318 N323 S324 S325 L357 Q360 V364 Y395A317-L321 PolarHBondContact O-N 3.03Å; F318-L321 WeakPolarHBondContact O-CB 3.32Å; F318-L321 PolarHBondContact O-N 2.87Å; L321-N323 VanDerWaalsContact C-N 3.34Å; L321-N323 PolarHBondContact O-N 2.78Å; L321-S324 PolarHBondContact O-N 3.17Å; L321-S325 WeakPolarHBondContact O-CB 3.42Å; L321-S325 PolarHBondContact O-N 3.19Å; L321-S325 PolarHBondContact O-OG 2.93Å; L321-S325 VanDerWaalsContact O-OG 3.05Å; L321-L357 HydrophobicContact CD1-CD2 4.45Å; L321-Q360 HydrophobicContact CD1-CB 3.86Å; L321-V364 HydrophobicContact CB-CG2 4.35Å; L321-V364 HydrophobicContact CD2-CG2 4.01Å; L321-Y395 HydrophobicContact CD1-CE2 3.77Å; L321-Y395 HydrophobicContact CD2-CE2 3.93Å; L321-Y395 HydrophobicContact CG-CE2 4.15Å
322M90.9Very high88.2Confident15 Ų1544.1 Ų44.17%0.07423%0.233CC..Hα-helixtrans-64.8-37.3179.6-67.7-52-62.300112.7A286 V289 F318 A319 V320 S325 Y326A286-M322 HydrophobicContact CB-CE 3.64Å; V289-M322 HydrophobicContact CB-CE 4.1Å; V289-M322 HydrophobicContact CG1-CE 4.1Å; F318-M322 HydrophobicContact CD1-CG 4.21Å; F318-M322 HydrophobicContact CD2-CG 4.36Å; F318-M322 HydrophobicContact CE1-CG 3.73Å; F318-M322 HydrophobicContact CE1-SD 4.48Å; F318-M322 HydrophobicContact CE2-CG 3.88Å; F318-M322 HydrophobicContact CE2-SD 3.85Å; F318-M322 HydrophobicContact CZ-CG 3.55Å; F318-M322 HydrophobicContact CZ-SD 3.71Å; F318-M322 WeakPolarHBondContact O-CG 3.34Å; F318-M322 PolarHBondContact O-N 2.89Å; A319-M322 PolarHBondContact O-N 3.16Å; V320-M322 PolarHBondContact O-N 2.92Å; M322-S325 PolarHBondContact O-N 3.13Å; M322-Y326 PolarHBondContact O-N 3.43Å
323N90.4Very high88.9Confident75 Ų7539.7 Ų39.740%0.40121%0.205SC..Hα-helixtrans-65.3-40.7174.1-75.6-27.8000112.1A319 V320 L321 K327A319-N323 WeakPolarHBondContact O-CB 3.32Å; A319-N323 VanDerWaalsContact O-CG 3.26Å; A319-N323 PolarHBondContact O-N 3.32Å; A319-N323 PolarHBondContact O-ND2 3.23Å; V320-N323 PolarHBondContact O-N 2.86Å; L321-N323 VanDerWaalsContact C-N 3.34Å; L321-N323 PolarHBondContact O-N 2.78Å; N323-K327 WeakPolarHBondContact O-CG 3.3Å; N323-K327 PolarHBondContact O-N 2.83Å
324S93.2Very high89.1Confident22 Ų2237.9 Ų37.915%0.15419%0.192CC..Hα-helixtrans-65.9-43.8174.4-58.30000111.2V320 L321 Y326 K327 V328 L357 Q360V320-S324 PolarHBondContact O-N 3.23Å; V320-S324 PolarHBondContact O-OG 3.4Å; V320-S324 VanDerWaalsContact O-OG 3.13Å; L321-S324 PolarHBondContact O-N 3.17Å; S324-Y326 VanDerWaalsContact C-N 3.28Å; S324-Y326 PolarHBondContact O-N 3.17Å; S324-K327 WeakPolarHBondContact O-CB 3.28Å; S324-K327 PolarHBondContact O-N 3.26Å; S324-V328 PolarHBondContact O-N 3.42Å; S324-L357 VanDerWaalsContact CB-CD2 3.42Å; S324-Q360 PolarHBondContact OG-NE2 3.12Å; S324-Q360 PolarHBondContact OG-OE1 3.11Å
325S93.2Very high89.5Confident0 Ų037.6 Ų37.60%019%0.191CC..Hα-helixtrans-59.6-39.2177.4-670000112.3L321 M322 K327 V328 L329 Y395L321-S325 WeakPolarHBondContact O-CB 3.42Å; L321-S325 PolarHBondContact O-N 3.19Å; L321-S325 PolarHBondContact O-OG 2.93Å; L321-S325 VanDerWaalsContact O-OG 3.05Å; M322-S325 PolarHBondContact O-N 3.13Å; S325-K327 PolarHBondContact O-N 3.27Å; S325-V328 PolarHBondContact O-N 2.99Å; S325-L329 VanDerWaalsContact O-CB 3.24Å; S325-L329 WeakPolarHBondContact O-CB 3.34Å; S325-L329 WeakPolarHBondContact O-CG 3.46Å; S325-L329 PolarHBondContact O-N 2.93Å; S325-Y395 VanDerWaalsContact OG-CE1 3.26Å; S325-Y395 WeakPolarHBondContact OG-CE1 3.24Å; S325-Y395 VanDerWaalsContact OG-CZ 3.3Å; S325-Y395 PolarHBondContact OG-OH 2.93Å
326Y89.4Confident89.8Confident57 Ų5735.7 Ų35.722%0.22418%0.177CC..Hα-helixtrans-61.9-29.2174.1176.4-98.3000113.6V280 L282 F285 M322 S324 P330V280-Y326 HydrophobicContact CB-CE2 4.16Å; V280-Y326 WeakPolarHBondContact O-CE2 3.22Å; V280-Y326 VanDerWaalsContact O-CZ 3.23Å; V280-Y326 PolarHBondContact O-OH 2.69Å; L282-Y326 HydrophobicContact CB-CD2 4.46Å; L282-Y326 HydrophobicContact CB-CE2 4.44Å; L282-Y326 VanDerWaalsContact CD1-CB 3.43Å; L282-Y326 HydrophobicContact CD1-CD1 4.04Å; L282-Y326 HydrophobicContact CD1-CD2 3.53Å; L282-Y326 HydrophobicContact CD1-CE2 4.28Å; L282-Y326 HydrophobicContact CD1-CG 3.38Å; F285-Y326 HydrophobicContact CB-CD2 4.24Å; F285-Y326 AromaticContact CD1-CD2 3.7Å; F285-Y326 HydrophobicContact CD1-CD2 3.7Å; F285-Y326 HydrophobicContact CD1-CG 4.44Å; F285-Y326 HydrophobicContact CE1-CD2 4.39Å; F285-Y326 HydrophobicContact CG-CD2 4.02Å; M322-Y326 PolarHBondContact O-N 3.43Å; S324-Y326 VanDerWaalsContact C-N 3.28Å; S324-Y326 PolarHBondContact O-N 3.17Å; Y326-P330 WeakPolarHBondContact O-CD 3.47Å; Y326-P330 WeakPolarHBondContact O-CG 3.5Å
327K89.3Confident89.7Confident155 Ų15529 Ų2967%0.67415%0.152SC*.Hα-helixtrans-77.8-25.2177.4-65.6173.2-177.3179.50113.4N323 S324 S325N323-K327 WeakPolarHBondContact O-CG 3.3Å; N323-K327 PolarHBondContact O-N 2.83Å; S324-K327 WeakPolarHBondContact O-CB 3.28Å; S324-K327 PolarHBondContact O-N 3.26Å; S325-K327 PolarHBondContact O-N 3.27Å
328V92.7Very high89.7Confident11 Ų1128.6 Ų28.67%0.06715%0.147CC..Hα-helixtrans-108-47.9-170.4-178.60000112.3S324 S325 D331 V332 L350 L353 L354 L357S324-V328 PolarHBondContact O-N 3.42Å; S325-V328 PolarHBondContact O-N 2.99Å; V328-D331 WeakPolarHBondContact O-CB 3.42Å; V328-D331 PolarHBondContact O-N 3.07Å; V328-D331 VanDerWaalsContact O-N 3.17Å; V328-V332 HydrophobicContact CG1-CG2 4.46Å; V328-V332 PolarHBondContact O-N 2.65Å; V328-L350 HydrophobicContact CG1-CD2 4.16Å; V328-L353 HydrophobicContact CG1-CB 3.96Å; V328-L353 HydrophobicContact CG2-CB 3.87Å; V328-L353 HydrophobicContact CG2-CD1 4.45Å; V328-L354 HydrophobicContact CG1-CD2 3.99Å; V328-L354 HydrophobicContact CG1-CG 4.23Å; V328-L357 HydrophobicContact CB-CD1 4.08Å; V328-L357 HydrophobicContact CG1-CD1 4.25Å; V328-L357 HydrophobicContact CG2-CD1 4.38Å
329L92.8Very high89.4Confident1 Ų127.6 Ų27.61%0.00515%0.145CC..Hα-helixtrans-70.3-31.6-168.1-66.9-171.1000115.1Y241 F285 V289 S325 D331 V332 L333 L354 L357 Y395 L398Y241-L329 HydrophobicContact CE1-CD1 4.43Å; Y241-L329 HydrophobicContact CE2-CB 3.73Å; Y241-L329 HydrophobicContact CE2-CD1 4.41Å; Y241-L329 PolarHBondContact OH-O 2.88Å; F285-L329 HydrophobicContact CE1-CB 4.36Å; F285-L329 HydrophobicContact CZ-CB 3.63Å; F285-L329 HydrophobicContact CZ-CD1 4.36Å; V289-L329 HydrophobicContact CG1-CD1 4.28Å; V289-L329 HydrophobicContact CG2-CD1 3.92Å; S325-L329 VanDerWaalsContact O-CB 3.24Å; S325-L329 WeakPolarHBondContact O-CB 3.34Å; S325-L329 WeakPolarHBondContact O-CG 3.46Å; S325-L329 PolarHBondContact O-N 2.93Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 3.48Å; L329-V332 WeakPolarHBondContact O-CB 3.41Å; L329-V332 PolarHBondContact O-N 3.02Å; L329-L333 PolarHBondContact O-N 3.34Å; L329-L354 HydrophobicContact CD2-CD2 3.88Å; L329-L357 HydrophobicContact CD2-CD1 4.23Å; L329-L357 HydrophobicContact CG-CD1 4.41Å; L329-Y395 HydrophobicContact CD1-CE1 4.37Å; L329-L398 HydrophobicContact CD1-CD1 4.33Å; L329-L398 HydrophobicContact CD2-CD1 3.82Å
330P87.8Confident89.3Confident2 Ų227 Ų271%0.01314%0.138CC..Hα-helixtrans-61.7-36.7169.8-25.836.9000112.6Y273 A277 F285 Y326 L333 R334Y273-P330 HydrophobicContact CE1-CB 4.48Å; A277-P330 HydrophobicContact CB-CB 4.37Å; F285-P330 HydrophobicContact CD2-CG 4.27Å; F285-P330 HydrophobicContact CE1-CG 4.41Å; F285-P330 HydrophobicContact CE2-CG 3.78Å; F285-P330 HydrophobicContact CZ-CG 3.89Å; Y326-P330 WeakPolarHBondContact O-CD 3.47Å; Y326-P330 WeakPolarHBondContact O-CG 3.5Å; P330-L333 PolarHBondContact O-N 3.08Å; P330-R334 PolarHBondContact O-N 3.4Å
331D88.6Confident88.9Confident47 Ų4726 Ų2625%0.25114%0.135SC..Hα-helixtrans-70.1-35.8178.7-73.3-1.6000111.6V328 L329 L333 R334 T335 L350V328-D331 WeakPolarHBondContact O-CB 3.42Å; V328-D331 PolarHBondContact O-N 3.07Å; V328-D331 VanDerWaalsContact O-N 3.17Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 3.48Å; D331-L333 VanDerWaalsContact C-N 3.32Å; D331-L333 PolarHBondContact O-N 3.02Å; D331-R334 WeakPolarHBondContact O-CB 3.45Å; D331-R334 PolarHBondContact O-N 2.62Å; D331-R334 VanDerWaalsContact O-N 3.13Å; D331-R334 IonicContact OD1-CZ 3.36Å; D331-R334 IonicContact OD1-NH1 3.62Å; D331-R334 PolarHBondContact OD1-NH1 2.99Å; D331-R334 IonicContact OD1-NH2 3.43Å; D331-R334 PolarHBondContact OD1-NH2 3.46Å; D331-R334 IonicContact OD2-NH1 2.66Å; D331-T335 VanDerWaalsContact O-CG2 3.3Å; D331-T335 WeakPolarHBondContact O-CG2 3.36Å; D331-T335 PolarHBondContact O-N 3.4Å; D331-L350 HydrophobicContact CB-CD1 4.26Å; D331-L350 HydrophobicContact CB-CD2 3.8Å
332V92.1Very high88.5Confident1 Ų128.5 Ų28.51%0.00614%0.144CC..Hα-helixtrans-55.7-47169.7173.80000110.7V328 L329 R334 T335 Y336 L350 L354V328-V332 HydrophobicContact CG1-CG2 4.46Å; V328-V332 PolarHBondContact O-N 2.65Å; L329-V332 WeakPolarHBondContact O-CB 3.41Å; L329-V332 PolarHBondContact O-N 3.02Å; V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 3.02Å; V332-T335 WeakPolarHBondContact O-CB 3.44Å; V332-T335 PolarHBondContact O-N 3.31Å; V332-T335 PolarHBondContact O-OG1 3.27Å; V332-Y336 WeakPolarHBondContact O-CD2 3.35Å; V332-Y336 WeakPolarHBondContact O-CE2 3.49Å; V332-L350 HydrophobicContact CG2-CD1 4.02Å; V332-L354 HydrophobicContact CG2-CD1 4.31Å; V332-L354 HydrophobicContact CG2-CD2 4.25Å
333L89Confident88.3Confident3 Ų328 Ų282%0.01614%0.141CC..Hα-helixtrans-69.1-27.5178.1-75-180000113.3Y241 T244 M245 F248 Q269 Y273 L329 P330 D331 T335 Y336Y241-L333 HydrophobicContact CD2-CD1 3.71Å; Y241-L333 HydrophobicContact CE2-CD1 3.35Å; Y241-L333 HydrophobicContact CE2-CG 3.72Å; T244-L333 HydrophobicContact CG2-CD1 4.24Å; M245-L333 HydrophobicContact CB-CD2 3.71Å; M245-L333 HydrophobicContact CG-CD2 3.93Å; F248-L333 HydrophobicContact CD2-CB 4.41Å; F248-L333 HydrophobicContact CD2-CD2 3.98Å; F248-L333 HydrophobicContact CE2-CB 4.27Å; F248-L333 HydrophobicContact CE2-CD2 4.42Å; F248-L333 HydrophobicContact CG-CD2 4.5Å; Q269-L333 PolarHBondContact NE2-O 2.97Å; Y273-L333 HydrophobicContact CE2-CB 3.69Å; Y273-L333 HydrophobicContact CE2-CD1 4.24Å; Y273-L333 WeakPolarHBondContact OH-CB 3.43Å; Y273-L333 WeakPolarHBondContact OH-CD1 3.48Å; L329-L333 PolarHBondContact O-N 3.34Å; P330-L333 PolarHBondContact O-N 3.08Å; D331-L333 VanDerWaalsContact C-N 3.32Å; D331-L333 PolarHBondContact O-N 3.02Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.15Å; L333-Y336 HydrophobicContact CD2-CD2 4.4Å; L333-Y336 HydrophobicContact CD2-CE2 4.37Å
334R86.9Confident88.3Confident42 Ų4225.2 Ų25.216%0.15813%0.126CC..Hα-helixtrans-65.9-32.6173.7-169.3-177.2-55.6107.433.5112.3P330 D331 V332 Y336 G337P330-R334 PolarHBondContact O-N 3.4Å; D331-R334 WeakPolarHBondContact O-CB 3.45Å; D331-R334 PolarHBondContact O-N 2.62Å; D331-R334 VanDerWaalsContact O-N 3.13Å; D331-R334 IonicContact OD1-CZ 3.36Å; D331-R334 IonicContact OD1-NH1 3.62Å; D331-R334 PolarHBondContact OD1-NH1 2.99Å; D331-R334 IonicContact OD1-NH2 3.43Å; D331-R334 PolarHBondContact OD1-NH2 3.46Å; D331-R334 IonicContact OD2-NH1 2.66Å; V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 3.02Å; R334-Y336 PolarHBondContact O-N 3.4Å; R334-Y336 VanDerWaalsContact O-N 3.11Å; R334-G337 WeakPolarHBondContact O-CA 3.4Å; R334-G337 PolarHBondContact O-N 2.98Å
335T89.5Confident88.1Confident0 Ų029.5 Ų29.50%014%0.142CC..Hα-helixtrans-56.1-32.6-177.270.30000113D331 V332 L333 G337 L338 R343 H346 I347 L350D331-T335 VanDerWaalsContact O-CG2 3.3Å; D331-T335 WeakPolarHBondContact O-CG2 3.36Å; D331-T335 PolarHBondContact O-N 3.4Å; V332-T335 WeakPolarHBondContact O-CB 3.44Å; V332-T335 PolarHBondContact O-N 3.31Å; V332-T335 PolarHBondContact O-OG1 3.27Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.15Å; T335-G337 PolarHBondContact O-N 2.74Å; T335-L338 WeakPolarHBondContact O-CB 3.33Å; T335-L338 PolarHBondContact O-N 3.37Å; T335-L338 VanDerWaalsContact O-N 3.1Å; T335-R343 WeakPolarHBondContact O-CG 3.38Å; T335-H346 HydrophobicContact CG2-CB 3.82Å; T335-I347 HydrophobicContact CG2-CG1 4.23Å; T335-L350 HydrophobicContact CG2-CD1 3.65Å
336Y87.9Confident88Confident1 Ų131.9 Ų31.90%0.00415%0.153CC..THydrogen-bonded Turntrans-70.2-12.5175.6-59.2-81.4000114M245 F248 I249 V252 V332 L333 R334 R343M245-Y336 HydrophobicContact CG-CE2 4.09Å; F248-Y336 HydrophobicContact CB-CD1 4.31Å; F248-Y336 HydrophobicContact CB-CD2 4.12Å; F248-Y336 HydrophobicContact CB-CG 3.85Å; F248-Y336 HydrophobicContact CD2-CD2 4.21Å; F248-Y336 HydrophobicContact CD2-CG 4.36Å; I249-Y336 HydrophobicContact CB-CE1 4.29Å; I249-Y336 HydrophobicContact CD1-CE1 4.33Å; I249-Y336 HydrophobicContact CG1-CD1 4.18Å; I249-Y336 HydrophobicContact CG1-CE1 3.29Å; V252-Y336 WeakPolarHBondContact CG2-O 3.48Å; V332-Y336 WeakPolarHBondContact O-CD2 3.35Å; V332-Y336 WeakPolarHBondContact O-CE2 3.49Å; L333-Y336 HydrophobicContact CD2-CD2 4.4Å; L333-Y336 HydrophobicContact CD2-CE2 4.37Å; R334-Y336 PolarHBondContact O-N 3.4Å; R334-Y336 VanDerWaalsContact O-N 3.11Å; Y336-R343 VanDerWaalsContact CD1-NH2 3.31Å
337G84.9Confident88.2Confident0 Ų029.2 Ų29.20%014%0.143CC..THydrogen-bonded Turntrans-84.2-18170.100000113.5I61 R265 R334 T335I61-G337 WeakPolarHBondContact CG2-O 3.43Å; R265-G337 WeakPolarHBondContact CD-O 3.48Å; R334-G337 WeakPolarHBondContact O-CA 3.4Å; R334-G337 PolarHBondContact O-N 2.98Å; T335-G337 PolarHBondContact O-N 2.74Å
338L85.9Confident88.3Confident10 Ų1024.3 Ų24.35%0.05212%0.122CC..SBendtrans-85.8168.7-169.4-53.7178.6000112.5I61 R265 T335 R342 R343 H346I61-L338 HydrophobicContact CG2-CD2 4.43Å; R265-L338 PolarHBondContact NH1-O 2.92Å; R265-L338 VanDerWaalsContact NH1-O 3.09Å; T335-L338 WeakPolarHBondContact O-CB 3.33Å; T335-L338 PolarHBondContact O-N 3.37Å; T335-L338 VanDerWaalsContact O-N 3.1Å; L338-R342 HydrophobicContact CB-CB 3.91Å; L338-R342 HydrophobicContact CD1-CB 4.17Å; L338-R343 HydrophobicContact CB-CB 4.45Å; L338-H346 HydrophobicContact CD1-CB 4.14Å; L338-H346 VanDerWaalsContact CD1-CD2 3.43Å; L338-H346 WeakPolarHBondContact CD1-CD2 3.25Å
339S82.6Confident88.3Confident18 Ų1831.4 Ų31.413%0.12615%0.148CC..  trans-63.8160.2164.862.40000111.2S341 R342 R343S339-S341 PolarHBondContact O-N 3.21Å; S339-R342 PolarHBondContact O-N 2.97Å; S339-R342 WeakPolarHBondContact OG-CB 3.28Å; S339-R342 WeakPolarHBondContact OG-CG 3.39Å; S339-R343 WeakPolarHBondContact O-CB 3.35Å; S339-R343 PolarHBondContact O-N 3.08Å
340S83.6Confident88.5Confident32 Ų3231.9 Ų31.922%0.22415%0.15CC..Hα-helixtrans-57.2-43.7-178.5-61.20000113.2Q259 R343 L344Q259-S340 PolarHBondContact NE2-OG 3.33Å; S340-R343 PolarHBondContact O-N 3.48Å; S340-L344 PolarHBondContact O-N 3.15Å
341S83Confident88.9Confident53 Ų5331.8 Ų31.837%0.37115%0.15SC..Hα-helixtrans-62.5-48.9177.6-43.50000112E64 S339 R343 L344 F345E64-S341 WeakPolarHBondContact OE2-CB 3.49Å; E64-S341 PolarHBondContact OE2-OG 3.23Å; S339-S341 PolarHBondContact O-N 3.21Å; S341-R343 PolarHBondContact O-N 3.44Å; S341-L344 WeakPolarHBondContact O-CB 3.46Å; S341-L344 PolarHBondContact O-N 3.32Å; S341-F345 PolarHBondContact O-N 3.12Å
342R84Confident89.2Confident53 Ų5331 Ų3120%0.215%0.147CC..Hα-helixtrans-65.3-40.2176.7-71.2-172179.1-1094111.8E64 L338 S339 L344 F345 H346E64-R342 HydrophobicContact CG-CG 4.38Å; E64-R342 VanDerWaalsContact OE1-CG 3.29Å; E64-R342 WeakPolarHBondContact OE1-CG 3.35Å; E64-R342 IonicContact OE1-NE 3Å; L338-R342 HydrophobicContact CB-CB 3.91Å; L338-R342 HydrophobicContact CD1-CB 4.17Å; S339-R342 PolarHBondContact O-N 2.97Å; S339-R342 WeakPolarHBondContact OG-CB 3.28Å; S339-R342 WeakPolarHBondContact OG-CG 3.39Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-L344 PolarHBondContact O-N 2.58Å; R342-F345 PolarHBondContact O-N 3.06Å; R342-H346 WeakPolarHBondContact O-CB 3.23Å; R342-H346 PolarHBondContact O-CD2 3.4Å; R342-H346 PolarHBondContact O-N 3.48Å
343R88.5Confident89.4Confident4 Ų434 Ų342%0.01516%0.163CC..Hα-helixtrans-57-47.5175.7-178.2175.6179.3-163.2-6.8109.7D253 T335 Y336 L338 S339 S340 S341 H346 I347 E405 L409D253-R343 IonicContact OD1-NH1 3.48Å; D253-R343 PolarHBondContact OD1-NH1 2.64Å; T335-R343 WeakPolarHBondContact O-CG 3.38Å; Y336-R343 VanDerWaalsContact CD1-NH2 3.31Å; L338-R343 HydrophobicContact CB-CB 4.45Å; S339-R343 WeakPolarHBondContact O-CB 3.35Å; S339-R343 PolarHBondContact O-N 3.08Å; S340-R343 PolarHBondContact O-N 3.48Å; S341-R343 PolarHBondContact O-N 3.44Å; R343-H346 PolarHBondContact O-N 3.25Å; R343-I347 HydrophobicContact CG-CD1 3.8Å; R343-I347 HydrophobicContact CG-CG1 4.49Å; R343-I347 WeakPolarHBondContact O-CB 3.48Å; R343-I347 WeakPolarHBondContact O-CG1 3.4Å; R343-I347 PolarHBondContact O-N 3.29Å; R343-E405 IonicContact CZ-OE1 3.05Å; R343-E405 IonicContact NE-OE1 3.61Å; R343-E405 IonicContact NH1-OE1 3.76Å; R343-E405 PolarHBondContact NH1-OE1 2.93Å; R343-E405 VanDerWaalsContact NH2-CG 3.27Å; R343-E405 IonicContact NH2-OE1 2.79Å; R343-E405 PolarHBondContact NH2-OE1 3.31Å; R343-E405 IonicContact NH2-OE2 2.68Å; R343-L409 HydrophobicContact CB-CD1 4.27Å; R343-L409 HydrophobicContact CG-CD1 3.73Å
344L89.1Confident89.8Confident17 Ų1734 Ų349%0.08916%0.163CC..Hα-helixtrans-58-52175.4-176.876.5000112.1S340 S341 R342 H346 I347 Q348 Y406 L409 S410 M413 I415S340-L344 PolarHBondContact O-N 3.15Å; S341-L344 WeakPolarHBondContact O-CB 3.46Å; S341-L344 PolarHBondContact O-N 3.32Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-L344 PolarHBondContact O-N 2.58Å; L344-H346 VanDerWaalsContact C-N 3.34Å; L344-H346 PolarHBondContact O-N 3.47Å; L344-I347 PolarHBondContact O-N 3.37Å; L344-Q348 WeakPolarHBondContact O-CB 3.39Å; L344-Q348 PolarHBondContact O-N 3.1Å; L344-Y406 HydrophobicContact CD1-CD2 3.32Å; L344-Y406 HydrophobicContact CD1-CE2 3.46Å; L344-Y406 VanDerWaalsContact CD1-CE2 3.46Å; L344-Y406 HydrophobicContact CD1-CG 4.11Å; L344-Y406 WeakPolarHBondContact CD1-O 3.25Å; L344-Y406 HydrophobicContact CG-CD2 4.19Å; L344-Y406 HydrophobicContact CG-CE2 3.99Å; L344-L409 HydrophobicContact CD1-CB 3.98Å; L344-S410 VanDerWaalsContact CD1-OG 3.27Å; L344-S410 WeakPolarHBondContact CD1-OG 3.47Å; L344-M413 HydrophobicContact CB-CE 3.8Å; L344-M413 HydrophobicContact CD1-CE 4.44Å; L344-M413 HydrophobicContact CD2-CE 3.56Å; L344-M413 HydrophobicContact CG-CE 4.13Å; L344-I415 HydrophobicContact CD2-CD1 3.18Å
345F88.7Confident90.2Very high112 Ų11232.1 Ų32.149%0.49116%0.157SC..Hα-helixtrans-59.1-43.1179.9176.1-101.6000112.6S341 R342 Q348 R349S341-F345 PolarHBondContact O-N 3.12Å; R342-F345 PolarHBondContact O-N 3.06Å; F345-Q348 WeakPolarHBondContact O-CB 3.31Å; F345-Q348 PolarHBondContact O-N 2.83Å; F345-R349 PolarHBondContact O-N 2.62Å
346H91Very high90.5Very high51 Ų5137.2 Ų37.224%0.23618%0.181CC..Hα-helixtrans-68.4-41.8177.5-84.5-95.8000112.1T335 L338 R342 R343 L344 Q348 R349 L350T335-H346 HydrophobicContact CG2-CB 3.82Å; L338-H346 HydrophobicContact CD1-CB 4.14Å; L338-H346 VanDerWaalsContact CD1-CD2 3.43Å; L338-H346 WeakPolarHBondContact CD1-CD2 3.25Å; R342-H346 WeakPolarHBondContact O-CB 3.23Å; R342-H346 PolarHBondContact O-CD2 3.4Å; R342-H346 PolarHBondContact O-N 3.48Å; R343-H346 PolarHBondContact O-N 3.25Å; L344-H346 VanDerWaalsContact C-N 3.34Å; L344-H346 PolarHBondContact O-N 3.47Å; H346-Q348 VanDerWaalsContact C-N 3.33Å; H346-Q348 PolarHBondContact O-N 3.1Å; H346-R349 PolarHBondContact O-N 2.94Å; H346-L350 WeakPolarHBondContact O-CD1 3.15Å; H346-L350 VanDerWaalsContact O-CG 3.26Å; H346-L350 WeakPolarHBondContact O-CG 3.4Å; H346-L350 PolarHBondContact O-N 2.89Å
347I93.8Very high90.9Very high1 Ų137.2 Ų37.21%0.00518%0.181CC..Hα-helixtrans-58.7-47.9174.6-70167.7000109.6T335 R343 L344 R349 L350 L351 N402 E405 Y406 L409T335-I347 HydrophobicContact CG2-CG1 4.23Å; R343-I347 HydrophobicContact CG-CD1 3.8Å; R343-I347 HydrophobicContact CG-CG1 4.49Å; R343-I347 WeakPolarHBondContact O-CB 3.48Å; R343-I347 WeakPolarHBondContact O-CG1 3.4Å; R343-I347 PolarHBondContact O-N 3.29Å; L344-I347 PolarHBondContact O-N 3.37Å; I347-R349 PolarHBondContact O-N 2.87Å; I347-R349 VanDerWaalsContact O-N 3.15Å; I347-L350 PolarHBondContact O-N 3.42Å; I347-L351 HydrophobicContact CG2-CD1 4.33Å; I347-L351 HydrophobicContact CG2-CD2 4.11Å; I347-L351 HydrophobicContact CG2-CG 3.99Å; I347-L351 WeakPolarHBondContact O-CG 3.5Å; I347-L351 PolarHBondContact O-N 2.71Å; I347-N402 HydrophobicContact CG2-CB 4.36Å; I347-E405 HydrophobicContact CD1-CB 4.34Å; I347-E405 HydrophobicContact CD1-CG 3.84Å; I347-Y406 HydrophobicContact CG2-CD2 4.19Å; I347-Y406 HydrophobicContact CG2-CG 4.44Å; I347-L409 HydrophobicContact CD1-CD1 3.92Å
348Q92.7Very high91.4Very high51 Ų5137.6 Ų37.624%0.23818%0.183CC..Hα-helixtrans-51.4-41.2178-171.1-179.8-5.900112.5L344 F345 H346 P352 Y406 A531L344-Q348 WeakPolarHBondContact O-CB 3.39Å; L344-Q348 PolarHBondContact O-N 3.1Å; F345-Q348 WeakPolarHBondContact O-CB 3.31Å; F345-Q348 PolarHBondContact O-N 2.83Å; H346-Q348 VanDerWaalsContact C-N 3.33Å; H346-Q348 PolarHBondContact O-N 3.1Å; Q348-P352 WeakPolarHBondContact O-CD 3.25Å; Q348-Y406 HydrophobicContact CB-CD2 4.47Å; Q348-Y406 HydrophobicContact CB-CE2 3.91Å; Q348-Y406 HydrophobicContact CG-CE2 4.21Å; Q348-A531 HydrophobicContact CB-CB 4.42Å; Q348-A531 HydrophobicContact CG-CB 3.49Å; Q348-A531 VanDerWaalsContact CG-CB 3.49Å; Q348-A531 WeakPolarHBondContact O-CB 3.16Å
349R92.9Very high91.7Very high160 Ų16040.9 Ų40.960%0.60420%0.203SC*.Hα-helixtrans-73.6-31.6176.8-68.8178.562.6-177.40.4113.8F345 H346 I347F345-R349 PolarHBondContact O-N 2.62Å; H346-R349 PolarHBondContact O-N 2.94Å; I347-R349 PolarHBondContact O-N 2.87Å; I347-R349 VanDerWaalsContact O-N 3.15Å
350L95.5Very high92.1Very high11 Ų1142.3 Ų42.36%0.05821%0.208CC..Hα-helixtrans-81.4-24.4-178.4-69.7166.2000112.9V328 D331 V332 T335 H346 I347 L353 L354V328-L350 HydrophobicContact CG1-CD2 4.16Å; D331-L350 HydrophobicContact CB-CD1 4.26Å; D331-L350 HydrophobicContact CB-CD2 3.8Å; V332-L350 HydrophobicContact CG2-CD1 4.02Å; T335-L350 HydrophobicContact CG2-CD1 3.65Å; H346-L350 WeakPolarHBondContact O-CD1 3.15Å; H346-L350 VanDerWaalsContact O-CG 3.26Å; H346-L350 WeakPolarHBondContact O-CG 3.4Å; H346-L350 PolarHBondContact O-N 2.89Å; I347-L350 PolarHBondContact O-N 3.42Å; L350-L353 HydrophobicContact CD2-CD1 4.32Å; L350-L353 WeakPolarHBondContact O-CB 3.17Å; L350-L353 PolarHBondContact O-N 3.47Å; L350-L353 VanDerWaalsContact O-N 3.16Å; L350-L354 WeakPolarHBondContact O-CG 3.43Å; L350-L354 PolarHBondContact O-N 2.78Å
351L96.8Very high92.5Very high0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-56.3-49.7-177.5-75.1-176.5000113.5I347 L353 L354 G355 L399 N402 V403 Y406 A531 L532 L535I347-L351 HydrophobicContact CG2-CD1 4.33Å; I347-L351 HydrophobicContact CG2-CD2 4.11Å; I347-L351 HydrophobicContact CG2-CG 3.99Å; I347-L351 WeakPolarHBondContact O-CG 3.5Å; I347-L351 PolarHBondContact O-N 2.71Å; L351-L353 VanDerWaalsContact C-N 3.31Å; L351-L353 PolarHBondContact O-N 3.22Å; L351-L354 PolarHBondContact O-N 3.25Å; L351-G355 PolarHBondContact O-N 3.33Å; L351-L399 HydrophobicContact CD2-CD1 3.91Å; L351-N402 HydrophobicContact CD2-CB 4Å; L351-V403 HydrophobicContact CD1-CG2 4.2Å; L351-V403 HydrophobicContact CD2-CG2 3.57Å; L351-V403 HydrophobicContact CG-CG2 4.49Å; L351-Y406 HydrophobicContact CD1-CD1 4.49Å; L351-Y406 HydrophobicContact CD1-CD2 4.49Å; L351-Y406 HydrophobicContact CD1-CG 4.2Å; L351-A531 HydrophobicContact CD1-CB 4.35Å; L351-L532 HydrophobicContact CD1-CD2 3.78Å; L351-L535 HydrophobicContact CB-CD2 4.16Å; L351-L535 WeakPolarHBondContact O-CD2 3.43Å
352P94.7Very high92.8Very high31 Ų3139.4 Ų39.420%0.20119%0.185CC..Hα-helixtrans-61.8-37.7175.7-23.234.9000112.9Q348 L354 G355 E356 K534Q348-P352 WeakPolarHBondContact O-CD 3.25Å; P352-L354 PolarHBondContact O-N 3.1Å; P352-G355 CarbonylContact O-C 3.43Å; P352-G355 VanDerWaalsContact O-CA 3.3Å; P352-G355 WeakPolarHBondContact O-CA 3.33Å; P352-G355 PolarHBondContact O-N 3.29Å; P352-E356 PolarHBondContact O-N 3.34Å; P352-K534 HydrophobicContact CB-CB 4.26Å; P352-K534 HydrophobicContact CG-CB 4.06Å; P352-K534 HydrophobicContact CG-CD 4.29Å
353L96.5Very high92.9Very high65 Ų6541.2 Ų41.234%0.3420%0.198SC..Hα-helixtrans-66.6-37.4178.5-58.7177.1000112V328 L350 L351 G355 E356 L357V328-L353 HydrophobicContact CG1-CB 3.96Å; V328-L353 HydrophobicContact CG2-CB 3.87Å; V328-L353 HydrophobicContact CG2-CD1 4.45Å; L350-L353 HydrophobicContact CD2-CD1 4.32Å; L350-L353 WeakPolarHBondContact O-CB 3.17Å; L350-L353 PolarHBondContact O-N 3.47Å; L350-L353 VanDerWaalsContact O-N 3.16Å; L351-L353 VanDerWaalsContact C-N 3.31Å; L351-L353 PolarHBondContact O-N 3.22Å; L353-G355 VanDerWaalsContact C-N 3.28Å; L353-E356 PolarHBondContact O-N 3.5Å; L353-L357 PolarHBondContact O-N 3.21Å
354L97.5Very high92.8Very high1 Ų141.1 Ų41.11%0.00520%0.198CC..Hα-helixtrans-63.7-36.9169.7-72.1172.4000111.1V328 L329 V332 L350 L351 P352 L357 I358 L399 N402V328-L354 HydrophobicContact CG1-CD2 3.99Å; V328-L354 HydrophobicContact CG1-CG 4.23Å; L329-L354 HydrophobicContact CD2-CD2 3.88Å; V332-L354 HydrophobicContact CG2-CD1 4.31Å; V332-L354 HydrophobicContact CG2-CD2 4.25Å; L350-L354 WeakPolarHBondContact O-CG 3.43Å; L350-L354 PolarHBondContact O-N 2.78Å; L351-L354 PolarHBondContact O-N 3.25Å; P352-L354 PolarHBondContact O-N 3.1Å; L354-L357 HydrophobicContact CD2-CD1 4.22Å; L354-L357 WeakPolarHBondContact O-CB 3.24Å; L354-L357 PolarHBondContact O-N 3.33Å; L354-I358 WeakPolarHBondContact O-CG1 3.39Å; L354-I358 PolarHBondContact O-N 2.95Å; L354-L399 HydrophobicContact CB-CB 4.4Å; L354-L399 HydrophobicContact CB-CD1 3.91Å; L354-N402 HydrophobicContact CD1-CB 4.07Å
355G95.9Very high92.5Very high3 Ų340.8 Ų40.83%0.03120%0.197CC..Hα-helixtrans-58.1-43.6171.300000113.3L351 P352 L353 L357 I358 V359L351-G355 PolarHBondContact O-N 3.33Å; P352-G355 CarbonylContact O-C 3.43Å; P352-G355 VanDerWaalsContact O-CA 3.3Å; P352-G355 WeakPolarHBondContact O-CA 3.33Å; P352-G355 PolarHBondContact O-N 3.29Å; L353-G355 VanDerWaalsContact C-N 3.28Å; G355-L357 VanDerWaalsContact C-N 3.33Å; G355-L357 PolarHBondContact O-N 3.31Å; G355-I358 WeakPolarHBondContact O-CB 3.42Å; G355-I358 PolarHBondContact O-N 3.4Å; G355-V359 PolarHBondContact O-N 3.17Å
356E95.4Very high92.1Very high107 Ų10743 Ų4350%0.520%0.202SC..Hα-helixtrans-62.5-38.2175.3-68.1175.3-167.600112.5P352 L353 I358 V359 Q360P352-E356 PolarHBondContact O-N 3.34Å; L353-E356 PolarHBondContact O-N 3.5Å; E356-I358 VanDerWaalsContact C-N 3.27Å; E356-I358 PolarHBondContact O-N 3.38Å; E356-V359 PolarHBondContact O-N 3.18Å; E356-Q360 WeakPolarHBondContact O-CG 3.33Å; E356-Q360 PolarHBondContact O-N 3.32Å
357L96.7Very high91.4Very high1 Ų144.4 Ų44.41%0.00521%0.207CC..Hα-helixtrans-62.8-35.3175.5-64.7-179.6000112.1L321 S324 V328 L329 L353 L354 G355 Q360 S361 Y395L321-L357 HydrophobicContact CD1-CD2 4.45Å; S324-L357 VanDerWaalsContact CB-CD2 3.42Å; V328-L357 HydrophobicContact CB-CD1 4.08Å; V328-L357 HydrophobicContact CG1-CD1 4.25Å; V328-L357 HydrophobicContact CG2-CD1 4.38Å; L329-L357 HydrophobicContact CD2-CD1 4.23Å; L329-L357 HydrophobicContact CG-CD1 4.41Å; L353-L357 PolarHBondContact O-N 3.21Å; L354-L357 HydrophobicContact CD2-CD1 4.22Å; L354-L357 WeakPolarHBondContact O-CB 3.24Å; L354-L357 PolarHBondContact O-N 3.33Å; G355-L357 VanDerWaalsContact C-N 3.33Å; G355-L357 PolarHBondContact O-N 3.31Å; L357-Q360 PolarHBondContact O-N 2.63Å; L357-S361 VanDerWaalsContact O-CB 3.27Å; L357-S361 WeakPolarHBondContact O-CB 3.21Å; L357-S361 PolarHBondContact O-N 2.86Å; L357-S361 PolarHBondContact O-OG 2.98Å; L357-Y395 HydrophobicContact CB-CD1 3.66Å; L357-Y395 HydrophobicContact CB-CE1 4.06Å; L357-Y395 HydrophobicContact CB-CG 4.04Å; L357-Y395 HydrophobicContact CD1-CD1 3.83Å; L357-Y395 HydrophobicContact CD1-CE1 3.8Å; L357-Y395 HydrophobicContact CG-CD1 4.36Å; L357-Y395 HydrophobicContact CG-CE1 4.42Å
358I94.4Very high90.3Very high9 Ų944.7 Ų44.75%0.04621%0.209CC..Hα-helixtrans-61.2-49.2174.6-63.5167.2000109.7L354 G355 E356 Q360 S361 D362 V396 L399 P536 F539L354-I358 WeakPolarHBondContact O-CG1 3.39Å; L354-I358 PolarHBondContact O-N 2.95Å; G355-I358 WeakPolarHBondContact O-CB 3.42Å; G355-I358 PolarHBondContact O-N 3.4Å; E356-I358 VanDerWaalsContact C-N 3.27Å; E356-I358 PolarHBondContact O-N 3.38Å; I358-Q360 VanDerWaalsContact C-N 3.35Å; I358-Q360 PolarHBondContact O-N 3.49Å; I358-S361 WeakPolarHBondContact CA-OG 3.16Å; I358-S361 PolarHBondContact O-N 3.49Å; I358-S361 PolarHBondContact O-OG 3.37Å; I358-D362 WeakPolarHBondContact O-CB 3.34Å; I358-D362 PolarHBondContact O-N 3.2Å; I358-V396 HydrophobicContact CD1-CB 4.48Å; I358-V396 HydrophobicContact CD1-CG2 3.88Å; I358-V396 HydrophobicContact CG1-CG2 4.03Å; I358-V396 HydrophobicContact CG2-CG2 3.81Å; I358-L399 HydrophobicContact CD1-CB 3.88Å; I358-L399 HydrophobicContact CD1-CD2 3.35Å; I358-L399 HydrophobicContact CD1-CG 4.19Å; I358-P536 HydrophobicContact CB-CG 4.47Å; I358-P536 HydrophobicContact CD1-CG 4.3Å; I358-F539 HydrophobicContact CD1-CD2 4.42Å; I358-F539 HydrophobicContact CD1-CE2 4.18Å
359V92.2Very high88.8Confident78 Ų7843.5 Ų43.547%0.47321%0.206SC..Hα-helixtrans-59.2-45.5178.1178.90000111.2G355 E356 S361 D362 L363 P536G355-V359 PolarHBondContact O-N 3.17Å; E356-V359 PolarHBondContact O-N 3.18Å; V359-S361 PolarHBondContact O-N 2.92Å; V359-D362 PolarHBondContact O-N 3.26Å; V359-L363 WeakPolarHBondContact O-CG 3.34Å; V359-L363 PolarHBondContact O-N 3.21Å; V359-L363 VanDerWaalsContact O-N 3.12Å; V359-P536 HydrophobicContact CG2-CB 4.35Å
360Q92.5Very high87Confident49 Ų4939.2 Ų39.223%0.22921%0.205CC..Hα-helixtrans-64.6-38.8178.1-69.1-179.58.600112.6L321 S324 E356 L357 I358 L363 V364L321-Q360 HydrophobicContact CD1-CB 3.86Å; S324-Q360 PolarHBondContact OG-NE2 3.12Å; S324-Q360 PolarHBondContact OG-OE1 3.11Å; E356-Q360 WeakPolarHBondContact O-CG 3.33Å; E356-Q360 PolarHBondContact O-N 3.32Å; L357-Q360 PolarHBondContact O-N 2.63Å; I358-Q360 VanDerWaalsContact C-N 3.35Å; I358-Q360 PolarHBondContact O-N 3.49Å; Q360-L363 WeakPolarHBondContact O-CB 3.47Å; Q360-L363 PolarHBondContact O-N 3.42Å; Q360-V364 PolarHBondContact O-N 3.06Å
361S91.3Very high84.8Confident0 Ų041.6 Ų41.60%022%0.217CC..Hα-helixtrans-71.1-34.4178.164.60000113.1L357 I358 V359 L363 V364 D365 A392L357-S361 VanDerWaalsContact O-CB 3.27Å; L357-S361 WeakPolarHBondContact O-CB 3.21Å; L357-S361 PolarHBondContact O-N 2.86Å; L357-S361 PolarHBondContact O-OG 2.98Å; I358-S361 WeakPolarHBondContact CA-OG 3.16Å; I358-S361 PolarHBondContact O-N 3.49Å; I358-S361 PolarHBondContact O-OG 3.37Å; V359-S361 PolarHBondContact O-N 2.92Å; S361-L363 VanDerWaalsContact C-N 3.32Å; S361-L363 PolarHBondContact O-N 2.94Å; S361-V364 WeakPolarHBondContact O-CB 3.23Å; S361-V364 PolarHBondContact O-N 3.48Å; S361-V364 VanDerWaalsContact O-N 3.14Å; S361-D365 PolarHBondContact O-N 3.11Å; S361-A392 WeakPolarHBondContact OG-CA 3.18Å
362D88.3Confident82.4Confident23 Ų2347.9 Ų47.912%0.12326%0.256CS..Hα-helixtrans-64.5-37.3172.5-172.166.2000111.2I358 V359 V364 D365 R366 A392I358-D362 WeakPolarHBondContact O-CB 3.34Å; I358-D362 PolarHBondContact O-N 3.2Å; V359-D362 PolarHBondContact O-N 3.26Å; D362-V364 VanDerWaalsContact C-N 3.3Å; D362-V364 PolarHBondContact O-N 3.43Å; D362-D365 PolarHBondContact O-N 3.38Å; D362-R366 VanDerWaalsContact O-CG 3.31Å; D362-R366 WeakPolarHBondContact O-CG 3.48Å; D362-R366 PolarHBondContact O-N 3.4Å; D362-R366 IonicContact OD2-CZ 3.11Å; D362-R366 IonicContact OD2-NE 2.7Å; D362-R366 PolarHBondContact OD2-NE 2.85Å; D362-R366 IonicContact OD2-NH2 3.85Å; D362-R366 PolarHBondContact OD2-NH2 2.79Å; D362-A392 HydrophobicContact CB-CB 4.37Å
363L86.5Confident79.9Confident91 Ų9152.8 Ų52.848%0.47629%0.285SS..Hα-helixtrans-61.4-38.3171.7-68.4172.6000112.3V359 Q360 S361 K367V359-L363 WeakPolarHBondContact O-CG 3.34Å; V359-L363 PolarHBondContact O-N 3.21Å; V359-L363 VanDerWaalsContact O-N 3.12Å; Q360-L363 WeakPolarHBondContact O-CB 3.47Å; Q360-L363 PolarHBondContact O-N 3.42Å; S361-L363 VanDerWaalsContact C-N 3.32Å; S361-L363 PolarHBondContact O-N 2.94Å; L363-K367 WeakPolarHBondContact O-CG 3.48Å; L363-K367 PolarHBondContact O-N 3.34Å
364V86.1Confident77.5Confident2 Ų250.9 Ų50.91%0.01227%0.274CS..Hα-helixtrans-66.1-46.8174.8174.50000110.4L314 A317 L321 Q360 S361 D362 R366 K367 I368 M391L314-V364 HydrophobicContact CD1-CG1 4.04Å; A317-V364 HydrophobicContact CB-CG2 4Å; L321-V364 HydrophobicContact CB-CG2 4.35Å; L321-V364 HydrophobicContact CD2-CG2 4.01Å; Q360-V364 PolarHBondContact O-N 3.06Å; S361-V364 WeakPolarHBondContact O-CB 3.23Å; S361-V364 PolarHBondContact O-N 3.48Å; S361-V364 VanDerWaalsContact O-N 3.14Å; D362-V364 VanDerWaalsContact C-N 3.3Å; D362-V364 PolarHBondContact O-N 3.43Å; V364-R366 VanDerWaalsContact C-N 3.34Å; V364-R366 PolarHBondContact O-N 2.8Å; V364-K367 PolarHBondContact O-N 2.89Å; V364-I368 HydrophobicContact CG1-CD1 3.93Å; V364-I368 WeakPolarHBondContact O-CG1 3.46Å; V364-I368 PolarHBondContact O-N 3.29Å; V364-M391 HydrophobicContact CG1-CG 4.39Å
365D84Confident75.1Confident11 Ų1155.3 Ų55.36%0.05930%0.301CS..Hα-helixtrans-60.6-39.9177.8-73.5-33.8000112.2S361 D362 I368 S369 G389 N390 M391 A392S361-D365 PolarHBondContact O-N 3.11Å; D362-D365 PolarHBondContact O-N 3.38Å; D365-I368 VanDerWaalsContact O-CB 3.32Å; D365-I368 WeakPolarHBondContact O-CB 3.22Å; D365-I368 PolarHBondContact O-N 3.43Å; D365-S369 PolarHBondContact O-N 2.65Å; D365-S369 PolarHBondContact O-OG 3.23Å; D365-G389 VanDerWaalsContact CG-CA 3.41Å; D365-G389 WeakPolarHBondContact OD2-CA 3.39Å; D365-G389 PolarHBondContact OD2-N 3.31Å; D365-N390 PolarHBondContact OD1-N 3.49Å; D365-M391 WeakPolarHBondContact OD1-CB 3.27Å; D365-M391 WeakPolarHBondContact OD1-CG 3.45Å; D365-M391 PolarHBondContact OD1-N 3Å; D365-M391 VanDerWaalsContact OD1-N 3.09Å; D365-M391 PolarHBondContact OD2-N 3.31Å; D365-A392 WeakPolarHBondContact OD2-CB 3.28Å; D365-A392 PolarHBondContact OD2-N 3.04Å
366R79.7Confident72.7Confident157 Ų15760.4 Ų60.459%0.59233%0.331SS*.Hα-helixtrans-64.8-41176-71.8177.8-164.3-170.24.5113D362 V364 I368 S369 A370D362-R366 VanDerWaalsContact O-CG 3.31Å; D362-R366 WeakPolarHBondContact O-CG 3.48Å; D362-R366 PolarHBondContact O-N 3.4Å; D362-R366 IonicContact OD2-CZ 3.11Å; D362-R366 IonicContact OD2-NE 2.7Å; D362-R366 PolarHBondContact OD2-NE 2.85Å; D362-R366 IonicContact OD2-NH2 3.85Å; D362-R366 PolarHBondContact OD2-NH2 2.79Å; V364-R366 VanDerWaalsContact C-N 3.34Å; V364-R366 PolarHBondContact O-N 2.8Å; R366-I368 VanDerWaalsContact C-N 3.3Å; R366-S369 PolarHBondContact O-N 3.5Å; R366-A370 PolarHBondContact O-N 3.49Å
367K76.9Confident70.5Confident81 Ų8156.9 Ų56.935%0.35232%0.317SS..Hα-helixtrans-66.1-35175.5-73.5-172.9-179.4-154.30111.6D313 L314 A317 L363 V364 A370D313-K367 PolarHBondContact O-NZ 3.25Å; D313-K367 VanDerWaalsContact O-NZ 3.08Å; L314-K367 HydrophobicContact CD1-CB 4.07Å; A317-K367 HydrophobicContact CB-CD 3.93Å; L363-K367 WeakPolarHBondContact O-CG 3.48Å; L363-K367 PolarHBondContact O-N 3.34Å; V364-K367 PolarHBondContact O-N 2.89Å; K367-A370 PolarHBondContact O-N 3.43Å
368I69.4Low67.9Low7 Ų762.6 Ų62.64%0.03634%0.338CS..Hα-helixtrans-59.8-51.6172-76.8167.4000110.6Y301 L314 V364 D365 R366 A370 N371Y301-I368 HydrophobicContact CD2-CD1 3.69Å; Y301-I368 HydrophobicContact CD2-CG1 3.81Å; Y301-I368 HydrophobicContact CD2-CG2 4.07Å; Y301-I368 HydrophobicContact CE1-CG1 4.38Å; Y301-I368 HydrophobicContact CE2-CB 3.91Å; Y301-I368 HydrophobicContact CE2-CD1 3.94Å; Y301-I368 HydrophobicContact CE2-CG1 3.6Å; Y301-I368 HydrophobicContact CE2-CG2 3.22Å; Y301-I368 HydrophobicContact CG-CD1 4.31Å; Y301-I368 HydrophobicContact CG-CG1 4.36Å; L314-I368 HydrophobicContact CD1-CG1 3.82Å; L314-I368 HydrophobicContact CD2-CG1 4.18Å; V364-I368 HydrophobicContact CG1-CD1 3.93Å; V364-I368 WeakPolarHBondContact O-CG1 3.46Å; V364-I368 PolarHBondContact O-N 3.29Å; D365-I368 VanDerWaalsContact O-CB 3.32Å; D365-I368 WeakPolarHBondContact O-CB 3.22Å; D365-I368 PolarHBondContact O-N 3.43Å; R366-I368 VanDerWaalsContact C-N 3.3Å; I368-A370 PolarHBondContact O-N 3.42Å; I368-A370 VanDerWaalsContact O-N 3.1Å; I368-N371 PolarHBondContact O-N 2.97Å
369S62.3Low65.6Low27 Ų2771.5 Ų71.519%0.18937%0.372CS..Hα-helixtrans-64.3-17.3-178.3-60.50000114.1D365 R366 N371 E374 R378D365-S369 PolarHBondContact O-N 2.65Å; D365-S369 PolarHBondContact O-OG 3.23Å; R366-S369 PolarHBondContact O-N 3.5Å; S369-N371 VanDerWaalsContact C-N 3.33Å; S369-E374 WeakPolarHBondContact CA-OE2 3.44Å; S369-E374 VanDerWaalsContact CB-OE2 3.26Å; S369-E374 WeakPolarHBondContact CB-OE2 3.19Å; S369-E374 PolarHBondContact OG-OE2 3.21Å; S369-R378 VanDerWaalsContact CB-NH2 3.35Å; S369-R378 VanDerWaalsContact O-CZ 3.24Å; S369-R378 PolarHBondContact O-NH1 3.22Å; S369-R378 PolarHBondContact O-NH2 2.79Å
370A54.2Low63.2Low69 Ų6976.5 Ų76.557%0.5738%0.382SS*.Hα-helixtrans-70.6-26.2174.400000113.1R366 K367 I368 V372R366-A370 PolarHBondContact O-N 3.49Å; K367-A370 PolarHBondContact O-N 3.43Å; I368-A370 PolarHBondContact O-N 3.42Å; I368-A370 VanDerWaalsContact O-N 3.1Å; A370-V372 PolarHBondContact O-N 2.8Å
371N49.1Very low60.9Low61 Ų6176.8 Ų76.833%0.32639%0.385SS..SBendtrans-93.296.8-175.8-74.6-23.7000111.8D311 I368 S369 V373D311-N371 PolarHBondContact OD2-ND2 2.92Å; I368-N371 PolarHBondContact O-N 2.97Å; S369-N371 VanDerWaalsContact C-N 3.33Å; N371-V373 VanDerWaalsContact C-N 3.29Å; N371-V373 PolarHBondContact O-N 3.39Å
372V46.1Very low58.3Low133 Ų13383 Ų8381%0.80642%0.417SS*.SBendtrans27.2-34.2162.9-174.20000122.1A370 E374A370-V372 PolarHBondContact O-N 2.8Å; V372-E374 PolarHBondContact O-N 3.47Å
373V43.7Very low55.9Low133 Ų13392.7 Ų92.781%0.80645%0.452SS*.THydrogen-bonded Turntrans-88.6-1.7-170.1-178.30000114.1N371N371-V373 VanDerWaalsContact C-N 3.29Å; N371-V373 PolarHBondContact O-N 3.39Å
374E46.7Very low53.8Low26 Ų2691.3 Ų91.312%0.12145%0.448CS..THydrogen-bonded Turntrans-100.39.4-174.7-98.8-157.1151.900117.6S369 V372 V376 V377 R378S369-E374 WeakPolarHBondContact CA-OE2 3.44Å; S369-E374 VanDerWaalsContact CB-OE2 3.26Å; S369-E374 WeakPolarHBondContact CB-OE2 3.19Å; S369-E374 PolarHBondContact OG-OE2 3.21Å; V372-E374 PolarHBondContact O-N 3.47Å; E374-V376 PolarHBondContact O-N 2.99Å; E374-V377 HydrophobicContact CB-CB 4.33Å; E374-V377 HydrophobicContact CG-CB 3.85Å; E374-V377 HydrophobicContact CG-CG1 4.42Å; E374-V377 HydrophobicContact CG-CG2 4.04Å; E374-V377 PolarHBondContact O-N 3.45Å; E374-V377 WeakPolarHBondContact OE1-CG1 3.33Å; E374-R378 PolarHBondContact O-N 3.3Å
375V45Very low51.6Low94 Ų94100.7 Ų100.757%0.5749%0.491SS*.Hα-helixtrans-55.6-29.6178.4176.70000112.7R379V375-R379 WeakPolarHBondContact O-CG 3.5Å; V375-R379 PolarHBondContact O-N 3.34Å
376V47Very low49.8Very low109 Ų109102.2 Ų102.266%0.66150%0.501SS*.Hα-helixtrans-75.7-36.9175.8-178.50000112.3E374E374-V376 PolarHBondContact O-N 2.99Å
377V47.8Very low48.6Very low33 Ų3397.7 Ų97.720%0.250%0.503CS..Hα-helixtrans-75-42.6178.7178.70000110.7E374 R379 R380 N381 T449E374-V377 HydrophobicContact CB-CB 4.33Å; E374-V377 HydrophobicContact CG-CB 3.85Å; E374-V377 HydrophobicContact CG-CG1 4.42Å; E374-V377 HydrophobicContact CG-CG2 4.04Å; E374-V377 PolarHBondContact O-N 3.45Å; E374-V377 WeakPolarHBondContact OE1-CG1 3.33Å; V377-R379 VanDerWaalsContact C-N 3.32Å; V377-R379 PolarHBondContact O-N 3.26Å; V377-R380 PolarHBondContact O-N 3.24Å; V377-N381 VanDerWaalsContact CG1-ND2 3.33Å; V377-N381 WeakPolarHBondContact CG1-ND2 3.49Å; V377-N381 PolarHBondContact O-N 2.96Å; V377-T449 HydrophobicContact CG2-CG2 4.44Å
378R43.5Very low47.8Very low122 Ų12295 Ų9546%0.4649%0.493SS..Hα-helixtrans-56.3-42.7173-92.2-171.4167.4135.42112.3S369 E374 R380 N381 L382S369-R378 VanDerWaalsContact CB-NH2 3.35Å; S369-R378 VanDerWaalsContact O-CZ 3.24Å; S369-R378 PolarHBondContact O-NH1 3.22Å; S369-R378 PolarHBondContact O-NH2 2.79Å; E374-R378 PolarHBondContact O-N 3.3Å; R378-R380 VanDerWaalsContact C-N 3.26Å; R378-R380 PolarHBondContact O-N 3.47Å; R378-N381 PolarHBondContact O-N 3.49Å; R378-L382 HydrophobicContact CB-CD1 4.41Å; R378-L382 VanDerWaalsContact O-CB 3.29Å; R378-L382 WeakPolarHBondContact O-CB 3.37Å; R378-L382 VanDerWaalsContact O-CD1 3.28Å; R378-L382 WeakPolarHBondContact O-CD1 3.42Å; R378-L382 WeakPolarHBondContact O-CG 3.47Å; R378-L382 PolarHBondContact O-N 2.97Å
379R44.6Very low48.1Very low196 Ų19695.2 Ų95.274%0.7450%0.497SS*.Hα-helixtrans-62.1-28.4-179.8-82.5-175.2-178.9-176.11.7114.1V375 V377V375-R379 WeakPolarHBondContact O-CG 3.5Å; V375-R379 PolarHBondContact O-N 3.34Å; V377-R379 VanDerWaalsContact C-N 3.32Å; V377-R379 PolarHBondContact O-N 3.26Å
380R43.5Very low49Very low183 Ų18394.6 Ų94.669%0.69149%0.491SS*.Hα-helixtrans-87.1-41.2173.6-88.1-173177.8134.1-0.2112.6V377 R378 L382 R383V377-R380 PolarHBondContact O-N 3.24Å; R378-R380 VanDerWaalsContact C-N 3.26Å; R378-R380 PolarHBondContact O-N 3.47Å; R380-L382 PolarHBondContact O-N 2.69Å; R380-R383 PolarHBondContact O-N 2.99Å
381N42.4Very low50.6Low54 Ų5491.4 Ų91.429%0.28947%0.465SS..Hα-helixtrans-73.8-25.2-176.3-68.3-6.5000113.3V377 R378 R383 T384V377-N381 VanDerWaalsContact CG1-ND2 3.33Å; V377-N381 WeakPolarHBondContact CG1-ND2 3.49Å; V377-N381 PolarHBondContact O-N 2.96Å; R378-N381 PolarHBondContact O-N 3.49Å; N381-R383 PolarHBondContact O-N 3.44Å; N381-R383 VanDerWaalsContact O-N 3.11Å; N381-T384 PolarHBondContact O-N 2.8Å; N381-T384 VanDerWaalsContact O-O 3.09Å; N381-T384 PolarHBondContact O-OG1 3.23Å
382L37.4Very low52.5Low130 Ų13088.5 Ų88.568%0.68145%0.449SS*.THydrogen-bonded Turntrans-58.9-20172.9-82.8159.5000113.6R378 R380 T384R378-L382 HydrophobicContact CB-CD1 4.41Å; R378-L382 VanDerWaalsContact O-CB 3.29Å; R378-L382 WeakPolarHBondContact O-CB 3.37Å; R378-L382 VanDerWaalsContact O-CD1 3.28Å; R378-L382 WeakPolarHBondContact O-CD1 3.42Å; R378-L382 WeakPolarHBondContact O-CG 3.47Å; R378-L382 PolarHBondContact O-N 2.97Å; R380-L382 PolarHBondContact O-N 2.69Å; L382-T384 VanDerWaalsContact C-N 3.31Å
383R38.6Very low54.7Low227 Ų22782.2 Ų82.286%0.85741%0.411SS*.THydrogen-bonded Turntrans-74.6-20.8176.4-71.6-172.4174-163.5-3.6113.4R380 N381R380-R383 PolarHBondContact O-N 2.99Å; N381-R383 PolarHBondContact O-N 3.44Å; N381-R383 VanDerWaalsContact O-N 3.11Å
384T42.5Very low57Low63 Ų6375.9 Ų75.939%0.38737%0.372SS..SBendtrans-11196.8175.155.50000107.2N381 L382 T386N381-T384 PolarHBondContact O-N 2.8Å; N381-T384 VanDerWaalsContact O-O 3.09Å; N381-T384 PolarHBondContact O-OG1 3.23Å; L382-T384 VanDerWaalsContact C-N 3.31Å; T384-T386 CarbonylContact O-C 3.54Å; T384-T386 PolarHBondContact O-N 3.02Å
385Q39.6Very low59.4Low198 Ų19874.6 Ų74.693%0.92537%0.367SS*.SBendtrans-52.62.7-176.3-71177.1-14.300116.5
386T45.8Very low61.8Low43 Ų4370.1 Ų70.126%0.26434%0.34SS..SBendtrans-99.898.2167.464.90000109.2T384 L388 W435 R442T384-T386 CarbonylContact O-C 3.54Å; T384-T386 PolarHBondContact O-N 3.02Å; T386-L388 PolarHBondContact O-N 3.5Å; T386-W435 HydrophobicContact CG2-CH2 3.8Å; T386-W435 HydrophobicContact CG2-CZ2 4.5Å; T386-R442 PolarHBondContact O-NH1 3.16Å; T386-R442 VanDerWaalsContact OG1-CZ 3.31Å; T386-R442 PolarHBondContact OG1-NH1 2.98Å; T386-R442 PolarHBondContact OG1-NH2 2.89Å
387G54.4Low64.1Low62 Ų6265 Ų6564%0.63931%0.308SS*.  trans-68.838.1-175.500000116.5G389G387-G389 PolarHBondContact O-N 2.92Å
388L60.5Low66.4Low25 Ų2563.4 Ų63.413%0.13130%0.299CS..  trans-69115177.9-64.5171.3000110.1T386 A392 V396 W435T386-L388 PolarHBondContact O-N 3.5Å; L388-A392 HydrophobicContact CB-CB 4.33Å; L388-A392 HydrophobicContact CD2-CB 3.73Å; L388-V396 HydrophobicContact CD1-CG2 4.36Å; L388-V396 HydrophobicContact CD2-CG2 4.35Å; L388-W435 HydrophobicContact CD1-CZ3 4.06Å
389G76.6Confident68.9Low12 Ų1257.6 Ų57.612%0.12428%0.277CS..  trans-81-172.5171.800000113.2D365 G387 M391 A392 C393D365-G389 VanDerWaalsContact CG-CA 3.41Å; D365-G389 WeakPolarHBondContact OD2-CA 3.39Å; D365-G389 PolarHBondContact OD2-N 3.31Å; G387-G389 PolarHBondContact O-N 2.92Å; G389-M391 VanDerWaalsContact C-N 3.31Å; G389-M391 PolarHBondContact O-N 3.22Å; G389-A392 PolarHBondContact O-N 2.98Å; G389-C393 PolarHBondContact O-N 2.94Å; G389-C393 PolarHBondContact O-SG 3.36Å
390N81.2Confident71.4Confident13 Ų1348.4 Ų48.47%0.0724%0.242CC..Hα-helixtrans-62.8-39.4-174-63.729.8000111.3C297 M298 P299 D365 F394 F446C297-N390 HydrophobicContact CB-CB 4.26Å; C297-N390 PolarHBondContact O-ND2 2.91Å; C297-N390 PolarHBondContact SG-O 3.41Å; M298-N390 PolarHBondContact O-ND2 3.39Å; P299-N390 HydrophobicContact CB-CB 3.94Å; D365-N390 PolarHBondContact OD1-N 3.49Å; N390-F394 PolarHBondContact O-N 3.45Å; N390-F446 HydrophobicContact CB-CD2 4.21Å; N390-F446 HydrophobicContact CB-CE2 4.39Å; N390-F446 VanDerWaalsContact OD1-CD1 3.3Å; N390-F446 WeakPolarHBondContact OD1-CD1 3.49Å; N390-F446 WeakPolarHBondContact OD1-CD2 3.25Å; N390-F446 WeakPolarHBondContact OD1-CE1 3.43Å; N390-F446 WeakPolarHBondContact OD1-CG 3.34Å
391M86.1Confident73.8Confident3 Ų340.1 Ų40.12%0.01521%0.212CC..Hα-helixtrans-72.3-44.6-177.7-61.6-61.1-128.900111.1M293 P299 L302 F318 V364 D365 G389 C393 F394 Y395M293-M391 HydrophobicContact CE-SD 4.34Å; M293-M391 HydrophobicContact SD-CE 4Å; M293-M391 HydrophobicContact SD-SD 3.78Å; P299-M391 HydrophobicContact CB-SD 3.86Å; P299-M391 HydrophobicContact CG-SD 3.94Å; L302-M391 HydrophobicContact CD2-CE 4.28Å; L302-M391 HydrophobicContact CG-CE 4.44Å; F318-M391 HydrophobicContact CD2-CE 3.71Å; F318-M391 HydrophobicContact CE2-CE 3.34Å; F318-M391 HydrophobicContact CZ-CE 4.43Å; V364-M391 HydrophobicContact CG1-CG 4.39Å; D365-M391 WeakPolarHBondContact OD1-CB 3.27Å; D365-M391 WeakPolarHBondContact OD1-CG 3.45Å; D365-M391 PolarHBondContact OD1-N 3Å; D365-M391 VanDerWaalsContact OD1-N 3.09Å; D365-M391 PolarHBondContact OD2-N 3.31Å; G389-M391 VanDerWaalsContact C-N 3.31Å; G389-M391 PolarHBondContact O-N 3.22Å; M391-C393 VanDerWaalsContact C-N 3.32Å; M391-C393 PolarHBondContact O-N 2.6Å; M391-F394 WeakPolarHBondContact O-CB 3.46Å; M391-F394 PolarHBondContact O-N 3.47Å; M391-F394 VanDerWaalsContact O-N 3.12Å; M391-Y395 VanDerWaalsContact O-CD2 3.28Å; M391-Y395 WeakPolarHBondContact O-CD2 3.39Å; M391-Y395 PolarHBondContact O-N 3.34Å
392A90Very high76.4Confident0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-59.6-42.7176.700000112S361 D362 D365 L388 G389 F394 Y395 V396S361-A392 WeakPolarHBondContact OG-CA 3.18Å; D362-A392 HydrophobicContact CB-CB 4.37Å; D365-A392 WeakPolarHBondContact OD2-CB 3.28Å; D365-A392 PolarHBondContact OD2-N 3.04Å; L388-A392 HydrophobicContact CB-CB 4.33Å; L388-A392 HydrophobicContact CD2-CB 3.73Å; G389-A392 PolarHBondContact O-N 2.98Å; A392-F394 PolarHBondContact O-N 3.32Å; A392-Y395 PolarHBondContact O-N 3.42Å; A392-V396 WeakPolarHBondContact O-CB 3.29Å; A392-V396 WeakPolarHBondContact O-CG2 3.25Å; A392-V396 PolarHBondContact O-N 3.37Å
393C91.3Very high79.1Confident0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-59.3-34.1176.3-72.20000113.2G389 M391 Y397 V439 F446G389-C393 PolarHBondContact O-N 2.94Å; G389-C393 PolarHBondContact O-SG 3.36Å; M391-C393 VanDerWaalsContact C-N 3.32Å; M391-C393 PolarHBondContact O-N 2.6Å; C393-Y397 WeakPolarHBondContact O-CB 3.36Å; C393-Y397 PolarHBondContact O-N 3.2Å; C393-V439 HydrophobicContact CB-CG1 4.04Å; C393-V439 VanDerWaalsContact O-CG1 3.23Å; C393-V439 WeakPolarHBondContact O-CG1 3.5Å; C393-F446 HydrophobicContact CB-CE2 4.05Å
394F93.2Very high81.8Confident0 Ų021.7 Ų21.70%013%0.129CC..Hα-helixtrans-64.1-47.4175.7172.4-97000112.2V289 A292 M293 L296 N390 M391 A392 Y397 L398V289-F394 HydrophobicContact CG1-CE1 4Å; V289-F394 HydrophobicContact CG1-CZ 4.14Å; A292-F394 HydrophobicContact CB-CE2 3.76Å; A292-F394 HydrophobicContact CB-CZ 4.05Å; M293-F394 HydrophobicContact CB-CD2 4.37Å; M293-F394 HydrophobicContact CE-CD1 3.58Å; M293-F394 HydrophobicContact CE-CE1 3.76Å; M293-F394 HydrophobicContact CE-CG 4.37Å; M293-F394 HydrophobicContact CG-CB 4.21Å; M293-F394 HydrophobicContact CG-CD1 3.68Å; M293-F394 HydrophobicContact CG-CD2 3.77Å; M293-F394 HydrophobicContact CG-CE1 3.9Å; M293-F394 HydrophobicContact CG-CE2 4Å; M293-F394 HydrophobicContact CG-CG 3.6Å; M293-F394 HydrophobicContact CG-CZ 4.06Å; L296-F394 HydrophobicContact CB-CD2 4.41Å; L296-F394 HydrophobicContact CD2-CB 4.48Å; L296-F394 HydrophobicContact CD2-CD2 3.89Å; N390-F394 PolarHBondContact O-N 3.45Å; M391-F394 WeakPolarHBondContact O-CB 3.46Å; M391-F394 PolarHBondContact O-N 3.47Å; M391-F394 VanDerWaalsContact O-N 3.12Å; A392-F394 PolarHBondContact O-N 3.32Å; F394-Y397 WeakPolarHBondContact O-CB 3.44Å; F394-Y397 PolarHBondContact O-N 3.36Å; F394-L398 HydrophobicContact CD1-CD1 4.23Å; F394-L398 HydrophobicContact CE1-CD1 3.57Å; F394-L398 HydrophobicContact CE1-CG 4.42Å; F394-L398 HydrophobicContact CE2-CD1 4.48Å; F394-L398 HydrophobicContact CZ-CD1 3.72Å; F394-L398 HydrophobicContact CZ-CG 4.38Å; F394-L398 WeakPolarHBondContact O-CG 3.29Å; F394-L398 PolarHBondContact O-N 3.07Å; F394-L398 VanDerWaalsContact O-N 3.16Å
395Y95.4Very high84.2Confident0 Ų019.2 Ų19.20%011%0.113CC..Hα-helixtrans-73.8-33179.8-67.3-77000112.7M293 L321 S325 L329 L357 M391 A392 Y397 L398 L399M293-Y395 HydrophobicContact CE-CE1 4.49Å; M293-Y395 HydrophobicContact CE-CE2 3.47Å; M293-Y395 VanDerWaalsContact CE-CE2 3.47Å; M293-Y395 VanDerWaalsContact CE-CZ 3.44Å; M293-Y395 WeakPolarHBondContact CE-OH 3.4Å; L321-Y395 HydrophobicContact CD1-CE2 3.77Å; L321-Y395 HydrophobicContact CD2-CE2 3.93Å; L321-Y395 HydrophobicContact CG-CE2 4.15Å; S325-Y395 VanDerWaalsContact OG-CE1 3.26Å; S325-Y395 WeakPolarHBondContact OG-CE1 3.24Å; S325-Y395 VanDerWaalsContact OG-CZ 3.3Å; S325-Y395 PolarHBondContact OG-OH 2.93Å; L329-Y395 HydrophobicContact CD1-CE1 4.37Å; L357-Y395 HydrophobicContact CB-CD1 3.66Å; L357-Y395 HydrophobicContact CB-CE1 4.06Å; L357-Y395 HydrophobicContact CB-CG 4.04Å; L357-Y395 HydrophobicContact CD1-CD1 3.83Å; L357-Y395 HydrophobicContact CD1-CE1 3.8Å; L357-Y395 HydrophobicContact CG-CD1 4.36Å; L357-Y395 HydrophobicContact CG-CE1 4.42Å; M391-Y395 VanDerWaalsContact O-CD2 3.28Å; M391-Y395 WeakPolarHBondContact O-CD2 3.39Å; M391-Y395 PolarHBondContact O-N 3.34Å; A392-Y395 PolarHBondContact O-N 3.42Å; Y395-Y397 VanDerWaalsContact C-N 3.33Å; Y395-L398 HydrophobicContact CD1-CD1 4.45Å; Y395-L398 PolarHBondContact O-N 3.44Å; Y395-L399 WeakPolarHBondContact O-CB 3.43Å; Y395-L399 PolarHBondContact O-N 3.03Å
396V95.4Very high86.7Confident0 Ų010.1 Ų10.10%07%0.07CC..Hα-helixtrans-61.2-44.6171.4174.40000110.3I358 L388 A392 L398 L399 L400 V439 F539I358-V396 HydrophobicContact CD1-CB 4.48Å; I358-V396 HydrophobicContact CD1-CG2 3.88Å; I358-V396 HydrophobicContact CG1-CG2 4.03Å; I358-V396 HydrophobicContact CG2-CG2 3.81Å; L388-V396 HydrophobicContact CD1-CG2 4.36Å; L388-V396 HydrophobicContact CD2-CG2 4.35Å; A392-V396 WeakPolarHBondContact O-CB 3.29Å; A392-V396 WeakPolarHBondContact O-CG2 3.25Å; A392-V396 PolarHBondContact O-N 3.37Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 3.44Å; V396-L399 PolarHBondContact O-N 2.89Å; V396-L400 HydrophobicContact CG1-CD1 3.59Å; V396-L400 HydrophobicContact CG1-CG 4.09Å; V396-L400 WeakPolarHBondContact O-CB 3.43Å; V396-L400 VanDerWaalsContact O-CG 3.25Å; V396-L400 WeakPolarHBondContact O-CG 3.25Å; V396-L400 PolarHBondContact O-N 2.7Å; V396-V439 HydrophobicContact CB-CG2 4.21Å; V396-V439 HydrophobicContact CG1-CG2 3.5Å; V396-V439 VanDerWaalsContact CG1-CG2 3.5Å; V396-F539 HydrophobicContact CB-CZ 4.29Å; V396-F539 HydrophobicContact CG1-CE1 3.91Å; V396-F539 HydrophobicContact CG1-CE2 4.12Å; V396-F539 HydrophobicContact CG1-CZ 3.37Å; V396-F539 HydrophobicContact CG2-CE2 3.95Å; V396-F539 HydrophobicContact CG2-CZ 3.88Å
397Y95.1Very high89Confident0 Ų08.1 Ų8.10%06%0.058CC..Hα-helixtrans-56.7-46.9175.3173-85.7000111.4L242 M245 K246 L296 C393 F394 Y395 L400 E401 H436 M440 E481L242-Y397 HydrophobicContact CD1-CD1 4.37Å; L242-Y397 HydrophobicContact CD1-CE1 3.48Å; L242-Y397 VanDerWaalsContact CD1-CE1 3.48Å; M245-Y397 HydrophobicContact CE-CE1 4.38Å; K246-Y397 WeakPolarHBondContact CE-OH 3.45Å; K246-Y397 PolarHBondContact NZ-OH 2.82Å; L296-Y397 HydrophobicContact CD2-CD1 4Å; L296-Y397 HydrophobicContact CD2-CD2 4.41Å; L296-Y397 HydrophobicContact CD2-CG 3.83Å; C393-Y397 WeakPolarHBondContact O-CB 3.36Å; C393-Y397 PolarHBondContact O-N 3.2Å; F394-Y397 WeakPolarHBondContact O-CB 3.44Å; F394-Y397 PolarHBondContact O-N 3.36Å; Y395-Y397 VanDerWaalsContact C-N 3.33Å; Y397-L400 PolarHBondContact O-N 3Å; Y397-E401 WeakPolarHBondContact O-CB 3.33Å; Y397-E401 PolarHBondContact O-N 2.96Å; Y397-H436 AromaticContact CD2-NE2 3.46Å; Y397-H436 WeakPolarHBondContact CD2-NE2 3.24Å; Y397-H436 AromaticContact CE2-NE2 3.23Å; Y397-H436 WeakPolarHBondContact CE2-NE2 3.36Å; Y397-M440 HydrophobicContact CD2-CG 4.28Å; Y397-M440 HydrophobicContact CE2-CG 4.3Å; Y397-E481 WeakPolarHBondContact CE2-OE1 3.35Å; Y397-E481 PolarHBondContact OH-OE1 3.36Å
398L96.2Very high90.8Very high1 Ų16.4 Ų6.41%0.0053%0.033CC..Hα-helixtrans-63.5-42.1177.2-66.3-178.6000112.5Y241 M245 L329 F394 Y395 V396 N402Y241-L398 HydrophobicContact CE1-CD1 4.1Å; Y241-L398 HydrophobicContact CE1-CD2 4.06Å; M245-L398 HydrophobicContact CE-CD2 3.89Å; M245-L398 HydrophobicContact SD-CD2 3.87Å; L329-L398 HydrophobicContact CD1-CD1 4.33Å; L329-L398 HydrophobicContact CD2-CD1 3.82Å; F394-L398 HydrophobicContact CD1-CD1 4.23Å; F394-L398 HydrophobicContact CE1-CD1 3.57Å; F394-L398 HydrophobicContact CE1-CG 4.42Å; F394-L398 HydrophobicContact CE2-CD1 4.48Å; F394-L398 HydrophobicContact CZ-CD1 3.72Å; F394-L398 HydrophobicContact CZ-CG 4.38Å; F394-L398 WeakPolarHBondContact O-CG 3.29Å; F394-L398 PolarHBondContact O-N 3.07Å; F394-L398 VanDerWaalsContact O-N 3.16Å; Y395-L398 HydrophobicContact CD1-CD1 4.45Å; Y395-L398 PolarHBondContact O-N 3.44Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 3.44Å; L398-N402 PolarHBondContact O-N 3.3Å; L398-N402 PolarHBondContact O-ND2 3.39Å
399L97.4Very high92.2Very high0 Ų05.8 Ų5.80%03%0.03CC..Hα-helixtrans-58.3-53.2175.7173.167.6000110.3L351 L354 I358 Y395 V396 E401 N402 V403 L535 F539L351-L399 HydrophobicContact CD2-CD1 3.91Å; L354-L399 HydrophobicContact CB-CB 4.4Å; L354-L399 HydrophobicContact CB-CD1 3.91Å; I358-L399 HydrophobicContact CD1-CB 3.88Å; I358-L399 HydrophobicContact CD1-CD2 3.35Å; I358-L399 HydrophobicContact CD1-CG 4.19Å; Y395-L399 WeakPolarHBondContact O-CB 3.43Å; Y395-L399 PolarHBondContact O-N 3.03Å; V396-L399 PolarHBondContact O-N 2.89Å; L399-E401 VanDerWaalsContact C-N 3.3Å; L399-E401 PolarHBondContact O-N 3.49Å; L399-N402 CarbonylContact O-C 3.59Å; L399-N402 PolarHBondContact O-N 2.96Å; L399-N402 VanDerWaalsContact O-N 3.07Å; L399-V403 HydrophobicContact CD1-CG2 3.9Å; L399-V403 HydrophobicContact CG-CG2 4.12Å; L399-V403 WeakPolarHBondContact O-CG2 3.48Å; L399-V403 PolarHBondContact O-N 3.03Å; L399-L535 HydrophobicContact CD1-CD1 4.45Å; L399-L535 HydrophobicContact CD1-CD2 3.72Å; L399-L535 HydrophobicContact CD2-CD2 4.31Å; L399-F539 HydrophobicContact CD2-CB 4.27Å; L399-F539 HydrophobicContact CD2-CD2 3.81Å; L399-F539 HydrophobicContact CD2-CE2 4.42Å; L399-F539 HydrophobicContact CD2-CG 4.05Å
400L96.8Very high92.8Very high2 Ų25.3 Ų5.31%0.012%0.024CC..Hα-helixtrans-66.4-32.2-174.6-65.3173.5000112.7V396 Y397 R404 V432 W435 H436 F539V396-L400 HydrophobicContact CG1-CD1 3.59Å; V396-L400 HydrophobicContact CG1-CG 4.09Å; V396-L400 WeakPolarHBondContact O-CB 3.43Å; V396-L400 VanDerWaalsContact O-CG 3.25Å; V396-L400 WeakPolarHBondContact O-CG 3.25Å; V396-L400 PolarHBondContact O-N 2.7Å; Y397-L400 PolarHBondContact O-N 3Å; L400-R404 VanDerWaalsContact O-CB 3.32Å; L400-R404 WeakPolarHBondContact O-CB 3.29Å; L400-R404 PolarHBondContact O-N 3.29Å; L400-V432 HydrophobicContact CD2-CG1 4.23Å; L400-W435 HydrophobicContact CD1-CB 3.68Å; L400-W435 HydrophobicContact CD2-CB 4.37Å; L400-H436 HydrophobicContact CB-CB 4.28Å; L400-H436 WeakPolarHBondContact CB-ND1 3.24Å; L400-H436 HydrophobicContact CD1-CB 4.11Å; L400-F539 HydrophobicContact CD1-CE1 4.32Å; L400-F539 HydrophobicContact CD2-CD1 3.87Å; L400-F539 HydrophobicContact CD2-CE1 4.09Å
401E94.4Very high93.2Very high10 Ų104.8 Ų4.85%0.0472%0.022CC..Hα-helixtrans-60.6-45.7170.9-169.272.8177.900111M245 I249 Y397 L399 R404 E405 H436M245-E401 HydrophobicContact CE-CG 3.89Å; I249-E401 HydrophobicContact CD1-CG 4.32Å; I249-E401 WeakPolarHBondContact CD1-OE1 3.12Å; Y397-E401 WeakPolarHBondContact O-CB 3.33Å; Y397-E401 PolarHBondContact O-N 2.96Å; L399-E401 VanDerWaalsContact C-N 3.3Å; L399-E401 PolarHBondContact O-N 3.49Å; E401-R404 PolarHBondContact O-N 2.78Å; E401-R404 IonicContact OE1-CZ 3.66Å; E401-R404 IonicContact OE1-NH1 2.64Å; E401-R404 IonicContact OE1-NH2 3.69Å; E401-R404 PolarHBondContact OE1-NH2 3.19Å; E401-R404 IonicContact OE2-CZ 3.78Å; E401-R404 IonicContact OE2-NH1 3.28Å; E401-R404 PolarHBondContact OE2-NH1 3.21Å; E401-R404 IonicContact OE2-NH2 2.68Å; E401-R404 PolarHBondContact OE2-NH2 2.86Å; E401-E405 WeakPolarHBondContact O-CB 3.43Å; E401-E405 PolarHBondContact O-N 2.91Å; E401-H436 IonicContact OE2-CE1 2.82Å; E401-H436 PolarHBondContact OE2-CE1 3.17Å; E401-H436 IonicContact OE2-NE2 2.82Å
402N95.4Very high93.1Very high2 Ų26.4 Ų6.41%0.0113%0.033CC..Hα-helixtrans-75.5-32-179.7-74.2-84000113.1I347 L351 L354 L398 L399 E405 Y406I347-N402 HydrophobicContact CG2-CB 4.36Å; L351-N402 HydrophobicContact CD2-CB 4Å; L354-N402 HydrophobicContact CD1-CB 4.07Å; L398-N402 PolarHBondContact O-N 3.3Å; L398-N402 PolarHBondContact O-ND2 3.39Å; L399-N402 CarbonylContact O-C 3.59Å; L399-N402 PolarHBondContact O-N 2.96Å; L399-N402 VanDerWaalsContact O-N 3.07Å; N402-E405 PolarHBondContact O-N 3.09Å; N402-Y406 VanDerWaalsContact O-CB 3.32Å; N402-Y406 WeakPolarHBondContact O-CB 3.43Å; N402-Y406 PolarHBondContact O-N 3.44Å
403V96Very high92.9Very high1 Ų19.3 Ų9.31%0.0065%0.048CC..Hα-helixtrans-67.3-42.1172.2175.60000110.5L351 L399 E405 Y406 I407 Y427 V432 L532 L535L351-V403 HydrophobicContact CD1-CG2 4.2Å; L351-V403 HydrophobicContact CD2-CG2 3.57Å; L351-V403 HydrophobicContact CG-CG2 4.49Å; L399-V403 HydrophobicContact CD1-CG2 3.9Å; L399-V403 HydrophobicContact CG-CG2 4.12Å; L399-V403 WeakPolarHBondContact O-CG2 3.48Å; L399-V403 PolarHBondContact O-N 3.03Å; V403-E405 VanDerWaalsContact C-N 3.31Å; V403-E405 PolarHBondContact O-N 3.5Å; V403-Y406 WeakPolarHBondContact O-CB 3.46Å; V403-Y406 PolarHBondContact O-N 3.03Å; V403-I407 HydrophobicContact CG1-CD1 4.04Å; V403-I407 WeakPolarHBondContact O-CG1 3.47Å; V403-I407 PolarHBondContact O-N 3.11Å; V403-Y427 HydrophobicContact CG1-CE1 3.98Å; V403-V432 HydrophobicContact CB-CG1 4.35Å; V403-V432 HydrophobicContact CB-CG2 4.49Å; V403-V432 HydrophobicContact CG1-CG1 4.13Å; V403-V432 HydrophobicContact CG1-CG2 3.52Å; V403-L532 HydrophobicContact CG1-CD2 3.89Å; V403-L532 HydrophobicContact CG2-CD2 4.31Å; V403-L535 HydrophobicContact CG2-CD1 4.03Å
404R94.4Very high92.5Very high21 Ų2115.7 Ų15.78%0.0797%0.072CC..Hα-helixtrans-59.3-46.3174-173.3-173.874.4-139.6-3.3110.6L400 E401 I407 F408 L428 V432 L433L400-R404 VanDerWaalsContact O-CB 3.32Å; L400-R404 WeakPolarHBondContact O-CB 3.29Å; L400-R404 PolarHBondContact O-N 3.29Å; E401-R404 PolarHBondContact O-N 2.78Å; E401-R404 IonicContact OE1-CZ 3.66Å; E401-R404 IonicContact OE1-NH1 2.64Å; E401-R404 IonicContact OE1-NH2 3.69Å; E401-R404 PolarHBondContact OE1-NH2 3.19Å; E401-R404 IonicContact OE2-CZ 3.78Å; E401-R404 IonicContact OE2-NH1 3.28Å; E401-R404 PolarHBondContact OE2-NH1 3.21Å; E401-R404 IonicContact OE2-NH2 2.68Å; E401-R404 PolarHBondContact OE2-NH2 2.86Å; R404-I407 PolarHBondContact O-N 3Å; R404-F408 HydrophobicContact CG-CD1 4.26Å; R404-F408 HydrophobicContact CG-CD2 4.43Å; R404-F408 HydrophobicContact CG-CE1 3.93Å; R404-F408 HydrophobicContact CG-CE2 4.13Å; R404-F408 HydrophobicContact CG-CZ 3.86Å; R404-F408 WeakPolarHBondContact O-CB 3.43Å; R404-F408 WeakPolarHBondContact O-CD1 3.41Å; R404-F408 WeakPolarHBondContact O-CG 3.37Å; R404-F408 PolarHBondContact O-N 3.25Å; R404-L428 HydrophobicContact CG-CD1 4.42Å; R404-V432 HydrophobicContact CB-CG1 4.26Å; R404-L433 HydrophobicContact CG-CD2 4.44Å
405E92.1Very high92.1Very high10 Ų1018.2 Ų18.25%0.0479%0.085CC..Hα-helixtrans-61.2-44.9177.7-171.558.9-156.800112.4R343 I347 E401 N402 V403 I407 F408 L409R343-E405 IonicContact CZ-OE1 3.05Å; R343-E405 IonicContact NE-OE1 3.61Å; R343-E405 IonicContact NH1-OE1 3.76Å; R343-E405 PolarHBondContact NH1-OE1 2.93Å; R343-E405 VanDerWaalsContact NH2-CG 3.27Å; R343-E405 IonicContact NH2-OE1 2.79Å; R343-E405 PolarHBondContact NH2-OE1 3.31Å; R343-E405 IonicContact NH2-OE2 2.68Å; I347-E405 HydrophobicContact CD1-CB 4.34Å; I347-E405 HydrophobicContact CD1-CG 3.84Å; E401-E405 WeakPolarHBondContact O-CB 3.43Å; E401-E405 PolarHBondContact O-N 2.91Å; N402-E405 PolarHBondContact O-N 3.09Å; V403-E405 VanDerWaalsContact C-N 3.31Å; V403-E405 PolarHBondContact O-N 3.5Å; E405-I407 VanDerWaalsContact C-N 3.31Å; E405-I407 PolarHBondContact O-N 3.13Å; E405-F408 PolarHBondContact O-N 2.93Å; E405-L409 HydrophobicContact CG-CD1 3.97Å; E405-L409 HydrophobicContact CG-CG 4.37Å; E405-L409 WeakPolarHBondContact O-CB 3.37Å; E405-L409 WeakPolarHBondContact O-CG 3.32Å; E405-L409 PolarHBondContact O-N 3.43Å
406Y93.6Very high91.7Very high7 Ų719 Ų193%0.0279%0.088CC..Hα-helixtrans-54-47.3174.8176.2-100.3000111.9L344 I347 Q348 L351 N402 V403 S410 R528 L532L344-Y406 HydrophobicContact CD1-CD2 3.32Å; L344-Y406 HydrophobicContact CD1-CE2 3.46Å; L344-Y406 VanDerWaalsContact CD1-CE2 3.46Å; L344-Y406 HydrophobicContact CD1-CG 4.11Å; L344-Y406 WeakPolarHBondContact CD1-O 3.25Å; L344-Y406 HydrophobicContact CG-CD2 4.19Å; L344-Y406 HydrophobicContact CG-CE2 3.99Å; I347-Y406 HydrophobicContact CG2-CD2 4.19Å; I347-Y406 HydrophobicContact CG2-CG 4.44Å; Q348-Y406 HydrophobicContact CB-CD2 4.47Å; Q348-Y406 HydrophobicContact CB-CE2 3.91Å; Q348-Y406 HydrophobicContact CG-CE2 4.21Å; L351-Y406 HydrophobicContact CD1-CD1 4.49Å; L351-Y406 HydrophobicContact CD1-CD2 4.49Å; L351-Y406 HydrophobicContact CD1-CG 4.2Å; N402-Y406 VanDerWaalsContact O-CB 3.32Å; N402-Y406 WeakPolarHBondContact O-CB 3.43Å; N402-Y406 PolarHBondContact O-N 3.44Å; V403-Y406 WeakPolarHBondContact O-CB 3.46Å; V403-Y406 PolarHBondContact O-N 3.03Å; Y406-S410 WeakPolarHBondContact O-CB 3.3Å; Y406-S410 PolarHBondContact O-N 2.89Å; Y406-S410 PolarHBondContact O-OG 3.33Å; Y406-R528 PolarHBondContact OH-O 2.9Å; Y406-L532 HydrophobicContact CD1-CD1 4.48Å; Y406-L532 HydrophobicContact CD1-CD2 4.37Å; Y406-L532 HydrophobicContact CE1-CD1 4.22Å; Y406-L532 HydrophobicContact CE1-CG 4.4Å
407I93.5Very high91.1Very high2 Ų223.1 Ų23.11%0.0111%0.107CC..Hα-helixtrans-67.4-42.1178.8-65.5168.1000110.8V403 R404 E405 S410 L411 V424 Y427 L428 V432V403-I407 HydrophobicContact CG1-CD1 4.04Å; V403-I407 WeakPolarHBondContact O-CG1 3.47Å; V403-I407 PolarHBondContact O-N 3.11Å; R404-I407 PolarHBondContact O-N 3Å; E405-I407 VanDerWaalsContact C-N 3.31Å; E405-I407 PolarHBondContact O-N 3.13Å; I407-S410 PolarHBondContact O-N 3.24Å; I407-L411 HydrophobicContact CG2-CD1 3.93Å; I407-L411 HydrophobicContact CG2-CG 4.4Å; I407-L411 WeakPolarHBondContact O-CB 3.36Å; I407-L411 WeakPolarHBondContact O-CG 3.49Å; I407-L411 PolarHBondContact O-N 3.33Å; I407-V424 HydrophobicContact CG2-CG1 3.8Å; I407-Y427 HydrophobicContact CD1-CD1 3.96Å; I407-Y427 HydrophobicContact CD1-CE1 4.27Å; I407-L428 HydrophobicContact CD1-CB 4.35Å; I407-L428 HydrophobicContact CD1-CD1 4.04Å; I407-L428 HydrophobicContact CG2-CD1 4.43Å; I407-L428 HydrophobicContact CG2-CD2 4.24Å; I407-V432 HydrophobicContact CD1-CG2 4.15Å
408F91.7Very high90.5Very high26 Ų2628.3 Ų28.311%0.11413%0.127CC..Hα-helixtrans-67.3-41.2-179.1-78.815.7000112.6R404 E405 S410 L411 S412 L428 F492 V628 F629R404-F408 HydrophobicContact CG-CD1 4.26Å; R404-F408 HydrophobicContact CG-CD2 4.43Å; R404-F408 HydrophobicContact CG-CE1 3.93Å; R404-F408 HydrophobicContact CG-CE2 4.13Å; R404-F408 HydrophobicContact CG-CZ 3.86Å; R404-F408 WeakPolarHBondContact O-CB 3.43Å; R404-F408 WeakPolarHBondContact O-CD1 3.41Å; R404-F408 WeakPolarHBondContact O-CG 3.37Å; R404-F408 PolarHBondContact O-N 3.25Å; E405-F408 PolarHBondContact O-N 2.93Å; F408-S410 VanDerWaalsContact C-N 3.34Å; F408-L411 PolarHBondContact O-N 2.98Å; F408-S412 WeakPolarHBondContact O-CB 3.44Å; F408-S412 PolarHBondContact O-N 2.87Å; F408-S412 PolarHBondContact O-OG 2.99Å; F408-L428 HydrophobicContact CE1-CD1 4.35Å; F408-L428 HydrophobicContact CE1-CD2 4.02Å; F408-F492 AromaticContact CE1-CE2 3.84Å; F408-F492 HydrophobicContact CE1-CE2 3.84Å; F408-F492 AromaticContact CE1-CZ 3.64Å; F408-F492 HydrophobicContact CE1-CZ 3.64Å; F408-F492 AromaticContact CZ-CE2 3.84Å; F408-F492 HydrophobicContact CZ-CE2 3.84Å; F408-F492 AromaticContact CZ-CZ 3.93Å; F408-F492 HydrophobicContact CZ-CZ 3.93Å; F408-V628 HydrophobicContact CB-CG2 4.34Å; F408-V628 HydrophobicContact CD1-CG1 3.81Å; F408-V628 HydrophobicContact CD2-CG1 4.38Å; F408-V628 HydrophobicContact CE1-CG1 4.03Å; F408-V628 HydrophobicContact CG-CG1 3.99Å; F408-V628 HydrophobicContact CZ-CG1 4.41Å; F408-F629 HydrophobicContact CZ-CZ 4.48Å
409L89.1Confident89.8Confident12 Ų1230.6 Ų30.66%0.06314%0.137CC..Hα-helixtrans-61.8-44.2172.5-74.7171.3000110.9R343 L344 I347 E405 L411 S412 M413R343-L409 HydrophobicContact CB-CD1 4.27Å; R343-L409 HydrophobicContact CG-CD1 3.73Å; L344-L409 HydrophobicContact CD1-CB 3.98Å; I347-L409 HydrophobicContact CD1-CD1 3.92Å; E405-L409 HydrophobicContact CG-CD1 3.97Å; E405-L409 HydrophobicContact CG-CG 4.37Å; E405-L409 WeakPolarHBondContact O-CB 3.37Å; E405-L409 WeakPolarHBondContact O-CG 3.32Å; E405-L409 PolarHBondContact O-N 3.43Å; L409-L411 PolarHBondContact O-N 3.33Å; L409-S412 PolarHBondContact O-N 2.89Å; L409-M413 HydrophobicContact CB-CE 4.08Å; L409-M413 WeakPolarHBondContact O-CB 3.21Å; L409-M413 WeakPolarHBondContact O-CE 3.37Å; L409-M413 WeakPolarHBondContact O-CG 3.39Å; L409-M413 PolarHBondContact O-N 3.28Å
410S90Very high89.3Confident1 Ų130.8 Ų30.81%0.00714%0.138CC..Hα-helixtrans-64-39.6178.4-58.90000112.8L344 Y406 I407 F408 R414 I415L344-S410 VanDerWaalsContact CD1-OG 3.27Å; L344-S410 WeakPolarHBondContact CD1-OG 3.47Å; Y406-S410 WeakPolarHBondContact O-CB 3.3Å; Y406-S410 PolarHBondContact O-N 2.89Å; Y406-S410 PolarHBondContact O-OG 3.33Å; I407-S410 PolarHBondContact O-N 3.24Å; F408-S410 VanDerWaalsContact C-N 3.34Å; S410-R414 PolarHBondContact O-N 3.48Å; S410-I415 PolarHBondContact O-N 2.74Å
411L89.2Confident88.9Confident3 Ų331 Ų312%0.01614%0.14CC..Hα-helixtrans-66.1-44.1173.4-74.6167.8000111.4I407 F408 L409 M413 R414 Y416 L421 V424 Y425 V628I407-L411 HydrophobicContact CG2-CD1 3.93Å; I407-L411 HydrophobicContact CG2-CG 4.4Å; I407-L411 WeakPolarHBondContact O-CB 3.36Å; I407-L411 WeakPolarHBondContact O-CG 3.49Å; I407-L411 PolarHBondContact O-N 3.33Å; F408-L411 PolarHBondContact O-N 2.98Å; L409-L411 PolarHBondContact O-N 3.33Å; L411-M413 VanDerWaalsContact C-N 3.33Å; L411-M413 PolarHBondContact O-N 2.99Å; L411-R414 PolarHBondContact O-N 3.24Å; L411-R414 VanDerWaalsContact O-N 3.09Å; L411-Y416 HydrophobicContact CD2-CD2 3.88Å; L411-Y416 HydrophobicContact CD2-CE2 4.5Å; L411-Y416 HydrophobicContact CG-CD2 4.1Å; L411-Y416 HydrophobicContact CG-CE2 4.28Å; L411-L421 HydrophobicContact CD2-CD2 4.01Å; L411-V424 HydrophobicContact CD2-CG1 4.45Å; L411-Y425 HydrophobicContact CD2-CE1 4.48Å; L411-V628 HydrophobicContact CB-CG1 4.49Å; L411-V628 HydrophobicContact CD1-CG1 3.95Å
412S85.4Confident88.7Confident37 Ų3730.7 Ų30.726%0.25914%0.138SC..Hα-helixtrans-64.6-38.2-178.7-570000112.4F408 L409 R414 V628F408-S412 WeakPolarHBondContact O-CB 3.44Å; F408-S412 PolarHBondContact O-N 2.87Å; F408-S412 PolarHBondContact O-OG 2.99Å; L409-S412 PolarHBondContact O-N 2.89Å; S412-R414 PolarHBondContact O-N 3.1Å; S412-V628 WeakPolarHBondContact OG-CG2 3.11Å
413M84Confident88.4Confident61 Ų6130.8 Ų30.830%0.314%0.139SC..THydrogen-bonded Turntrans-85.16176.6-64.7-175.7-66.800113.1L344 L409 L411 I415L344-M413 HydrophobicContact CB-CE 3.8Å; L344-M413 HydrophobicContact CD1-CE 4.44Å; L344-M413 HydrophobicContact CD2-CE 3.56Å; L344-M413 HydrophobicContact CG-CE 4.13Å; L409-M413 HydrophobicContact CB-CE 4.08Å; L409-M413 WeakPolarHBondContact O-CB 3.21Å; L409-M413 WeakPolarHBondContact O-CE 3.37Å; L409-M413 WeakPolarHBondContact O-CG 3.39Å; L409-M413 PolarHBondContact O-N 3.28Å; L411-M413 VanDerWaalsContact C-N 3.33Å; L411-M413 PolarHBondContact O-N 2.99Å; M413-I415 HydrophobicContact CB-CD1 4.35Å; M413-I415 HydrophobicContact CB-CG1 4.03Å; M413-I415 HydrophobicContact CE-CD1 3.91Å; M413-I415 PolarHBondContact O-N 3.36Å
414R84.5Confident88.3Confident133 Ų13330.8 Ų30.850%0.50214%0.139SC..THydrogen-bonded Turntrans51.938.9-179.8-55.2-176-175.7171.74.3113.5S410 L411 S412 Y416 D623S410-R414 PolarHBondContact O-N 3.48Å; L411-R414 PolarHBondContact O-N 3.24Å; L411-R414 VanDerWaalsContact O-N 3.09Å; S412-R414 PolarHBondContact O-N 3.1Å; R414-Y416 VanDerWaalsContact C-N 3.33Å; R414-D623 IonicContact CZ-OD1 3.1Å; R414-D623 IonicContact CZ-OD2 2.69Å; R414-D623 IonicContact NH2-OD1 3.64Å; R414-D623 PolarHBondContact NH2-OD1 3.26Å; R414-D623 IonicContact NH2-OD2 3.99Å; R414-D623 PolarHBondContact NH2-OD2 3.45Å
415I84.9Confident88.3Confident53 Ų5329.8 Ų29.827%0.27214%0.135SC..  trans-68.7-37.1177.8-64.2-178.4000110.4L344 S410 M413 R528L344-I415 HydrophobicContact CD2-CD1 3.18Å; S410-I415 PolarHBondContact O-N 2.74Å; M413-I415 HydrophobicContact CB-CD1 4.35Å; M413-I415 HydrophobicContact CB-CG1 4.03Å; M413-I415 HydrophobicContact CE-CD1 3.91Å; M413-I415 PolarHBondContact O-N 3.36Å; I415-R528 PolarHBondContact O-NH1 3.25Å; I415-R528 PolarHBondContact O-NH2 2.97Å
416Y86Confident88.4Confident18 Ų1829.9 Ų29.97%0.07114%0.135CC..SBendtrans-78.6138.1-179.4-60.2-62000112.1L411 R414 E420 V424 F529L411-Y416 HydrophobicContact CD2-CD2 3.88Å; L411-Y416 HydrophobicContact CD2-CE2 4.5Å; L411-Y416 HydrophobicContact CG-CD2 4.1Å; L411-Y416 HydrophobicContact CG-CE2 4.28Å; R414-Y416 VanDerWaalsContact C-N 3.33Å; Y416-E420 WeakPolarHBondContact CA-OE2 2.97Å; Y416-V424 HydrophobicContact CD1-CG2 3.7Å; Y416-V424 HydrophobicContact CD2-CG1 4.23Å; Y416-V424 HydrophobicContact CD2-CG2 3.93Å; Y416-V424 HydrophobicContact CE1-CG2 3.82Å; Y416-V424 HydrophobicContact CE2-CG1 3.99Å; Y416-V424 HydrophobicContact CE2-CG2 4.02Å; Y416-V424 HydrophobicContact CG-CG2 3.77Å; Y416-F529 HydrophobicContact CD1-CZ 4.48Å; Y416-F529 HydrophobicContact CE1-CE2 4.11Å; Y416-F529 AromaticContact CE1-CZ 3.94Å; Y416-F529 HydrophobicContact CE1-CZ 3.94Å
417E83.3Confident88.5Confident86 Ų8629.6 Ų29.640%0.40213%0.134SC..  trans-77.3155.7170-66.3-63.3160.700110.8F419 E420 L421E417-F419 HydrophobicContact CB-CD1 3.77Å; E417-F419 HydrophobicContact CB-CD2 4.49Å; E417-F419 HydrophobicContact CB-CE1 3.36Å; E417-F419 HydrophobicContact CB-CE2 4.14Å; E417-F419 HydrophobicContact CB-CG 4.32Å; E417-F419 HydrophobicContact CB-CZ 3.56Å; E417-F419 HydrophobicContact CG-CE1 3.69Å; E417-F419 HydrophobicContact CG-CZ 3.74Å; E417-F419 PolarHBondContact O-N 3.05Å; E417-F419 VanDerWaalsContact O-N 3.16Å; E417-E420 HydrophobicContact CB-CG 4.24Å; E417-E420 PolarHBondContact N-OE2 3.28Å; E417-E420 WeakPolarHBondContact O-CB 3.28Å; E417-E420 PolarHBondContact O-N 2.65Å; E417-L421 PolarHBondContact O-N 3.21Å
418Y83.3Confident88.6Confident109 Ų10929.5 Ų29.543%0.42713%0.133SC..G310 helixtrans-56.5-35.4-178.9-75.4-82.6000113.5E420 L421Y418-E420 VanDerWaalsContact C-N 3.26Å; Y418-E420 PolarHBondContact O-N 2.85Å; Y418-L421 HydrophobicContact CD1-CD1 3.91Å; Y418-L421 WeakPolarHBondContact O-CB 3.24Å; Y418-L421 WeakPolarHBondContact O-CG 2.98Å; Y418-L421 PolarHBondContact O-N 3.28Å
419F80.7Confident88.8Confident49 Ų4928.4 Ų28.422%0.21513%0.128CC..G310 helixtrans-72.9-15.1178.761.4-101.9000113.8E417 P422 F521E417-F419 HydrophobicContact CB-CD1 3.77Å; E417-F419 HydrophobicContact CB-CD2 4.49Å; E417-F419 HydrophobicContact CB-CE1 3.36Å; E417-F419 HydrophobicContact CB-CE2 4.14Å; E417-F419 HydrophobicContact CB-CG 4.32Å; E417-F419 HydrophobicContact CB-CZ 3.56Å; E417-F419 HydrophobicContact CG-CE1 3.69Å; E417-F419 HydrophobicContact CG-CZ 3.74Å; E417-F419 PolarHBondContact O-N 3.05Å; E417-F419 VanDerWaalsContact O-N 3.16Å; F419-P422 WeakPolarHBondContact O-CD 3.46Å; F419-F521 AromaticContact CD2-CE2 3.79Å; F419-F521 HydrophobicContact CD2-CE2 3.79Å; F419-F521 AromaticContact CE2-CD2 3.94Å; F419-F521 HydrophobicContact CE2-CD2 3.94Å; F419-F521 AromaticContact CE2-CE2 3.58Å; F419-F521 HydrophobicContact CE2-CE2 3.58Å
420E85.9Confident89Confident4 Ų430.1 Ų30.12%0.01914%0.138CC..G310 helixtrans-89.1-17.4176.5-59176143.600112.3Y416 E417 Y418 P422 V423 V424 R528Y416-E420 WeakPolarHBondContact CA-OE2 2.97Å; E417-E420 HydrophobicContact CB-CG 4.24Å; E417-E420 PolarHBondContact N-OE2 3.28Å; E417-E420 WeakPolarHBondContact O-CB 3.28Å; E417-E420 PolarHBondContact O-N 2.65Å; Y418-E420 VanDerWaalsContact C-N 3.26Å; Y418-E420 PolarHBondContact O-N 2.85Å; E420-P422 VanDerWaalsContact C-N 3.32Å; E420-V423 HydrophobicContact CB-CG1 4.44Å; E420-V423 WeakPolarHBondContact O-CG1 3.36Å; E420-V423 PolarHBondContact O-N 2.61Å; E420-V424 WeakPolarHBondContact O-CG2 2.75Å; E420-V424 PolarHBondContact O-N 3.07Å; E420-R528 VanDerWaalsContact CD-NH1 3.27Å; E420-R528 IonicContact OE1-NH1 2.72Å; E420-R528 PolarHBondContact OE1-NH1 3.28Å; E420-R528 IonicContact OE2-CZ 3.13Å; E420-R528 IonicContact OE2-NH1 3.81Å; E420-R528 PolarHBondContact OE2-NH1 3.16Å
421L89.5Confident89.2Confident7 Ų730.8 Ų30.84%0.03714%0.142CC..Hα-helixtrans-53.2-39-178.3-62.9179.9000114.3L411 E417 Y418 V423 V424 Y425 F619L411-L421 HydrophobicContact CD2-CD2 4.01Å; E417-L421 PolarHBondContact O-N 3.21Å; Y418-L421 HydrophobicContact CD1-CD1 3.91Å; Y418-L421 WeakPolarHBondContact O-CB 3.24Å; Y418-L421 WeakPolarHBondContact O-CG 2.98Å; Y418-L421 PolarHBondContact O-N 3.28Å; L421-V423 VanDerWaalsContact C-N 3.33Å; L421-V423 PolarHBondContact O-N 3.44Å; L421-V424 PolarHBondContact O-N 3.18Å; L421-Y425 HydrophobicContact CB-CD2 4.21Å; L421-Y425 HydrophobicContact CB-CE2 3.77Å; L421-Y425 HydrophobicContact CD1-CE2 4.48Å; L421-Y425 HydrophobicContact CG-CE2 4.5Å; L421-Y425 WeakPolarHBondContact O-CB 3.11Å; L421-Y425 WeakPolarHBondContact O-CD2 3.44Å; L421-Y425 VanDerWaalsContact O-CG 3.27Å; L421-Y425 PolarHBondContact O-N 3.08Å; L421-F619 HydrophobicContact CD1-CD2 4.12Å
422P89.9Confident89.5Confident2 Ų230.6 Ų30.61%0.01314%0.141CC..Hα-helixtrans-57.9-42.4175.9-22.531.5000113.7F419 E420 W426 Y496 S499 L500 L508 F546F419-P422 WeakPolarHBondContact O-CD 3.46Å; E420-P422 VanDerWaalsContact C-N 3.32Å; P422-W426 VanDerWaalsContact O-CB 3.24Å; P422-W426 WeakPolarHBondContact O-CB 3.5Å; P422-W426 PolarHBondContact O-N 3.24Å; P422-Y496 VanDerWaalsContact O-CD2 3.28Å; P422-Y496 WeakPolarHBondContact O-CD2 3.27Å; P422-S499 VanDerWaalsContact CA-OG 3.26Å; P422-S499 WeakPolarHBondContact CA-OG 3.14Å; P422-S499 WeakPolarHBondContact CB-OG 3.38Å; P422-L500 HydrophobicContact CB-CD2 4.26Å; P422-L508 HydrophobicContact CG-CD1 3.72Å; P422-F546 HydrophobicContact CB-CE2 4.43Å; P422-F546 HydrophobicContact CB-CZ 4.16Å
423V90.2Very high90.1Very high4 Ų428.9 Ų28.92%0.02413%0.129CC..Hα-helixtrans-75-35.9-179.761.90000111.4E420 L421 W426 Y427 F529 F541 Y543 F546E420-V423 HydrophobicContact CB-CG1 4.44Å; E420-V423 WeakPolarHBondContact O-CG1 3.36Å; E420-V423 PolarHBondContact O-N 2.61Å; L421-V423 VanDerWaalsContact C-N 3.33Å; L421-V423 PolarHBondContact O-N 3.44Å; V423-W426 HydrophobicContact CG2-CE3 4.24Å; V423-Y427 WeakPolarHBondContact O-CB 3.21Å; V423-Y427 PolarHBondContact O-N 3.1Å; V423-F529 HydrophobicContact CG1-CZ 4.13Å; V423-F541 HydrophobicContact CG2-CE2 3.54Å; V423-F541 HydrophobicContact CG2-CZ 3.56Å; V423-Y543 HydrophobicContact CG2-CD2 4.19Å; V423-Y543 HydrophobicContact CG2-CE2 4.3Å; V423-F546 HydrophobicContact CB-CD1 4.01Å; V423-F546 HydrophobicContact CB-CD2 4.03Å; V423-F546 HydrophobicContact CB-CE1 3.9Å; V423-F546 HydrophobicContact CB-CE2 3.92Å; V423-F546 HydrophobicContact CB-CG 4.06Å; V423-F546 HydrophobicContact CB-CZ 3.85Å; V423-F546 HydrophobicContact CG2-CB 4.14Å; V423-F546 HydrophobicContact CG2-CD1 3.91Å; V423-F546 HydrophobicContact CG2-CD2 3.99Å; V423-F546 HydrophobicContact CG2-CE1 4.33Å; V423-F546 HydrophobicContact CG2-CE2 4.39Å; V423-F546 HydrophobicContact CG2-CG 3.72Å
424V92.9Very high90.6Very high1 Ų132.8 Ų32.81%0.00614%0.14CC..Hα-helixtrans-61-51.1173.4176.80000110.8I407 L411 Y416 E420 L421 Y427 L428 F529I407-V424 HydrophobicContact CG2-CG1 3.8Å; L411-V424 HydrophobicContact CD2-CG1 4.45Å; Y416-V424 HydrophobicContact CD1-CG2 3.7Å; Y416-V424 HydrophobicContact CD2-CG1 4.23Å; Y416-V424 HydrophobicContact CD2-CG2 3.93Å; Y416-V424 HydrophobicContact CE1-CG2 3.82Å; Y416-V424 HydrophobicContact CE2-CG1 3.99Å; Y416-V424 HydrophobicContact CE2-CG2 4.02Å; Y416-V424 HydrophobicContact CG-CG2 3.77Å; E420-V424 WeakPolarHBondContact O-CG2 2.75Å; E420-V424 PolarHBondContact O-N 3.07Å; L421-V424 PolarHBondContact O-N 3.18Å; V424-Y427 PolarHBondContact O-N 3.3Å; V424-L428 VanDerWaalsContact O-CB 3.24Å; V424-L428 WeakPolarHBondContact O-CB 3.28Å; V424-L428 PolarHBondContact O-N 2.87Å; V424-F529 HydrophobicContact CG2-CE1 4.36Å; V424-F529 HydrophobicContact CG2-CZ 3.69Å
425Y95.2Very high91.1Very high0 Ų027.5 Ų27.50%012%0.12CC..Hα-helixtrans-68.1-37.1-179.1-62.5-34000112.5L411 L421 T429 F492 Y495 F619L411-Y425 HydrophobicContact CD2-CE1 4.48Å; L421-Y425 HydrophobicContact CB-CD2 4.21Å; L421-Y425 HydrophobicContact CB-CE2 3.77Å; L421-Y425 HydrophobicContact CD1-CE2 4.48Å; L421-Y425 HydrophobicContact CG-CE2 4.5Å; L421-Y425 WeakPolarHBondContact O-CB 3.11Å; L421-Y425 WeakPolarHBondContact O-CD2 3.44Å; L421-Y425 VanDerWaalsContact O-CG 3.27Å; L421-Y425 PolarHBondContact O-N 3.08Å; Y425-T429 WeakPolarHBondContact O-CB 3.15Å; Y425-T429 VanDerWaalsContact O-CG2 3.25Å; Y425-T429 WeakPolarHBondContact O-CG2 3.38Å; Y425-T429 PolarHBondContact O-N 2.8Å; Y425-T429 PolarHBondContact O-OG1 3.28Å; Y425-F492 AromaticContact CD1-CD1 3.81Å; Y425-F492 HydrophobicContact CD1-CD1 3.81Å; Y425-F492 HydrophobicContact CD1-CE1 4.37Å; Y425-F492 HydrophobicContact CE1-CD1 4.03Å; Y425-F492 HydrophobicContact CE1-CE1 4.21Å; Y425-Y495 HydrophobicContact CE1-CD2 4.36Å; Y425-F619 HydrophobicContact CE2-CE2 4.08Å; Y425-F619 HydrophobicContact CE2-CZ 4.29Å
426W94.5Very high91.5Very high12 Ų1225 Ų255%0.04511%0.107CC..Hα-helixtrans-57.4-54.6171.3167.573.5000111.2P422 V423 L428 T429 D430 V431 Y496 F541 V545 F546 S549P422-W426 VanDerWaalsContact O-CB 3.24Å; P422-W426 WeakPolarHBondContact O-CB 3.5Å; P422-W426 PolarHBondContact O-N 3.24Å; V423-W426 HydrophobicContact CG2-CE3 4.24Å; W426-L428 VanDerWaalsContact C-N 3.34Å; W426-L428 PolarHBondContact O-N 3.07Å; W426-T429 PolarHBondContact O-N 3.29Å; W426-T429 VanDerWaalsContact O-N 3.16Å; W426-T429 PolarHBondContact O-OG1 2.62Å; W426-T429 VanDerWaalsContact O-OG1 3.09Å; W426-D430 VanDerWaalsContact CD1-OD2 3.25Å; W426-D430 PolarHBondContact NE1-OD2 3.47Å; W426-D430 WeakPolarHBondContact O-CB 3.25Å; W426-D430 PolarHBondContact O-N 3.28Å; W426-V431 HydrophobicContact CH2-CG2 4.48Å; W426-Y496 HydrophobicContact CB-CD2 3.88Å; W426-Y496 HydrophobicContact CB-CE1 4.45Å; W426-Y496 HydrophobicContact CB-CE2 3.64Å; W426-Y496 HydrophobicContact CB-CG 4.41Å; W426-Y496 AromaticContact CD1-CZ 3.93Å; W426-Y496 HydrophobicContact CG-CE2 4.41Å; W426-F541 HydrophobicContact CZ3-CD2 4.4Å; W426-F541 HydrophobicContact CZ3-CE2 4.21Å; W426-V545 HydrophobicContact CH2-CB 4.26Å; W426-V545 HydrophobicContact CH2-CG1 4.19Å; W426-V545 HydrophobicContact CZ2-CB 4.35Å; W426-V545 HydrophobicContact CZ2-CG1 3.84Å; W426-F546 HydrophobicContact CB-CD2 3.85Å; W426-F546 HydrophobicContact CB-CE2 4.1Å; W426-F546 HydrophobicContact CD2-CB 4.02Å; W426-F546 AromaticContact CD2-CD2 3.75Å; W426-F546 HydrophobicContact CD2-CD2 3.75Å; W426-F546 HydrophobicContact CD2-CG 4.36Å; W426-F546 HydrophobicContact CE3-CB 3.67Å; W426-F546 AromaticContact CE3-CD2 3.87Å; W426-F546 HydrophobicContact CE3-CD2 3.87Å; W426-F546 HydrophobicContact CE3-CG 4.15Å; W426-F546 AromaticContact CG-CD2 3.73Å; W426-F546 HydrophobicContact CG-CD2 3.73Å; W426-F546 HydrophobicContact CG-CE2 4.41Å; W426-F546 HydrophobicContact CH2-CB 4.04Å; W426-F546 HydrophobicContact CZ2-CB 4.39Å; W426-F546 HydrophobicContact CZ3-CB 3.68Å; W426-S549 PolarHBondContact NE1-OG 3.45Å
427Y95.5Very high91.9Very high2 Ų225.4 Ų25.41%0.00811%0.111CC..Iπ-helixtrans-63.4-42.6-177.2-177.2-104.5000111.4V403 I407 V423 V424 T429 V431 V432 L532 F539 F541V403-Y427 HydrophobicContact CG1-CE1 3.98Å; I407-Y427 HydrophobicContact CD1-CD1 3.96Å; I407-Y427 HydrophobicContact CD1-CE1 4.27Å; V423-Y427 WeakPolarHBondContact O-CB 3.21Å; V423-Y427 PolarHBondContact O-N 3.1Å; V424-Y427 PolarHBondContact O-N 3.3Å; Y427-T429 VanDerWaalsContact C-N 3.29Å; Y427-T429 PolarHBondContact O-N 3.35Å; Y427-V431 HydrophobicContact CD2-CB 3.88Å; Y427-V431 HydrophobicContact CD2-CG1 4.33Å; Y427-V431 HydrophobicContact CD2-CG2 3.71Å; Y427-V431 HydrophobicContact CE2-CB 3.91Å; Y427-V431 HydrophobicContact CE2-CG1 3.84Å; Y427-V431 HydrophobicContact CE2-CG2 4Å; Y427-V431 WeakPolarHBondContact O-CA 3.32Å; Y427-V431 VanDerWaalsContact O-CB 3.29Å; Y427-V431 WeakPolarHBondContact O-CB 3.37Å; Y427-V431 PolarHBondContact O-N 2.75Å; Y427-V431 VanDerWaalsContact O-N 3.14Å; Y427-V432 HydrophobicContact CD1-CG2 3.79Å; Y427-V432 HydrophobicContact CE1-CG2 3.51Å; Y427-V432 PolarHBondContact O-N 3.14Å; Y427-L532 HydrophobicContact CD1-CD1 4.19Å; Y427-L532 HydrophobicContact CE1-CD1 3.74Å; Y427-L532 HydrophobicContact CE1-CD2 4.21Å; Y427-L532 HydrophobicContact CE1-CG 4.37Å; Y427-F539 PolarHBondContact OH-O 3.39Å; Y427-F541 AromaticContact CD2-CD2 3.74Å; Y427-F541 HydrophobicContact CD2-CD2 3.74Å; Y427-F541 HydrophobicContact CE2-CB 4.11Å; Y427-F541 HydrophobicContact CE2-CD2 4.14Å; Y427-F541 HydrophobicContact CG-CD2 4.03Å
428L95.6Very high92.3Very high0 Ų023.5 Ų23.50%010%0.102CC..Iπ-helixtrans-60-37.9176.3-178.561.5000112.2R404 I407 F408 V424 W426 V432 L433 F492R404-L428 HydrophobicContact CG-CD1 4.42Å; I407-L428 HydrophobicContact CD1-CB 4.35Å; I407-L428 HydrophobicContact CD1-CD1 4.04Å; I407-L428 HydrophobicContact CG2-CD1 4.43Å; I407-L428 HydrophobicContact CG2-CD2 4.24Å; F408-L428 HydrophobicContact CE1-CD1 4.35Å; F408-L428 HydrophobicContact CE1-CD2 4.02Å; V424-L428 VanDerWaalsContact O-CB 3.24Å; V424-L428 WeakPolarHBondContact O-CB 3.28Å; V424-L428 PolarHBondContact O-N 2.87Å; W426-L428 VanDerWaalsContact C-N 3.34Å; W426-L428 PolarHBondContact O-N 3.07Å; L428-V432 HydrophobicContact CD1-CB 4.29Å; L428-V432 HydrophobicContact CD1-CG1 4.37Å; L428-L433 HydrophobicContact CD1-CD1 4.12Å; L428-L433 HydrophobicContact CD1-CG 3.96Å; L428-L433 HydrophobicContact CG-CD1 3.86Å; L428-L433 HydrophobicContact CG-CG 4.18Å; L428-L433 VanDerWaalsContact O-CB 3.26Å; L428-L433 WeakPolarHBondContact O-CB 3.44Å; L428-L433 WeakPolarHBondContact O-CG 3.47Å; L428-L433 PolarHBondContact O-N 3.38Å; L428-F492 HydrophobicContact CD2-CB 4.33Å; L428-F492 HydrophobicContact CD2-CD1 3.54Å; L428-F492 HydrophobicContact CD2-CD2 3.71Å; L428-F492 HydrophobicContact CD2-CE1 3.61Å; L428-F492 HydrophobicContact CD2-CE2 3.78Å; L428-F492 HydrophobicContact CD2-CG 3.6Å; L428-F492 HydrophobicContact CD2-CZ 3.73Å; L428-F492 HydrophobicContact CG-CD2 4.37Å; L428-F492 HydrophobicContact CG-CG 4.37Å
429T95.4Very high92.6Very high2 Ų218.3 Ų18.31%0.0128%0.081CC..Iπ-helixtrans-86.9-56.2-176.450.50000113.3Y425 W426 Y427 R434 F492 R493Y425-T429 WeakPolarHBondContact O-CB 3.15Å; Y425-T429 VanDerWaalsContact O-CG2 3.25Å; Y425-T429 WeakPolarHBondContact O-CG2 3.38Å; Y425-T429 PolarHBondContact O-N 2.8Å; Y425-T429 PolarHBondContact O-OG1 3.28Å; W426-T429 PolarHBondContact O-N 3.29Å; W426-T429 VanDerWaalsContact O-N 3.16Å; W426-T429 PolarHBondContact O-OG1 2.62Å; W426-T429 VanDerWaalsContact O-OG1 3.09Å; Y427-T429 VanDerWaalsContact C-N 3.29Å; Y427-T429 PolarHBondContact O-N 3.35Å; T429-R434 VanDerWaalsContact O-CB 3.27Å; T429-R434 WeakPolarHBondContact O-CB 3.36Å; T429-R434 PolarHBondContact O-N 3.29Å; T429-F492 HydrophobicContact CG2-CB 3.26Å; T429-R493 HydrophobicContact CG2-CB 4.28Å; T429-R493 VanDerWaalsContact CG2-N 3.28Å
430D93.2Very high93.1Very high48 Ų4816.5 Ų16.526%0.2577%0.074SC..Iπ-helixtrans-80-22.6-169.3-716.2000111.6W426 R493W426-D430 VanDerWaalsContact CD1-OD2 3.25Å; W426-D430 PolarHBondContact NE1-OD2 3.47Å; W426-D430 WeakPolarHBondContact O-CB 3.25Å; W426-D430 PolarHBondContact O-N 3.28Å; D430-R493 VanDerWaalsContact CG-NH1 3.28Å; D430-R493 IonicContact OD1-CZ 3.55Å; D430-R493 IonicContact OD1-NH1 2.78Å; D430-R493 PolarHBondContact OD1-NH1 3.1Å; D430-R493 IonicContact OD2-NH1 2.63Å; D430-R493 PolarHBondContact OD2-NH1 3.44Å
431V94.4Very high93.2Very high15 Ų1520.7 Ų20.79%0.0919%0.093CC..Iπ-helixtrans-108.2-71.6175.3-171.10000110.2W426 Y427 W435W426-V431 HydrophobicContact CH2-CG2 4.48Å; Y427-V431 HydrophobicContact CD2-CB 3.88Å; Y427-V431 HydrophobicContact CD2-CG1 4.33Å; Y427-V431 HydrophobicContact CD2-CG2 3.71Å; Y427-V431 HydrophobicContact CE2-CB 3.91Å; Y427-V431 HydrophobicContact CE2-CG1 3.84Å; Y427-V431 HydrophobicContact CE2-CG2 4Å; Y427-V431 WeakPolarHBondContact O-CA 3.32Å; Y427-V431 VanDerWaalsContact O-CB 3.29Å; Y427-V431 WeakPolarHBondContact O-CB 3.37Å; Y427-V431 PolarHBondContact O-N 2.75Å; Y427-V431 VanDerWaalsContact O-N 3.14Å; V431-W435 VanDerWaalsContact O-CB 3.27Å; V431-W435 WeakPolarHBondContact O-CB 3.09Å; V431-W435 PolarHBondContact O-N 2.73Å
432V96.4Very high93Very high0 Ų021.9 Ų21.90%010%0.097CC..Iπ-helixtrans-64.4-62.2-163.6-1780000112.4L400 V403 R404 I407 Y427 L428 W435 H436L400-V432 HydrophobicContact CD2-CG1 4.23Å; V403-V432 HydrophobicContact CB-CG1 4.35Å; V403-V432 HydrophobicContact CB-CG2 4.49Å; V403-V432 HydrophobicContact CG1-CG1 4.13Å; V403-V432 HydrophobicContact CG1-CG2 3.52Å; R404-V432 HydrophobicContact CB-CG1 4.26Å; I407-V432 HydrophobicContact CD1-CG2 4.15Å; Y427-V432 HydrophobicContact CD1-CG2 3.79Å; Y427-V432 HydrophobicContact CE1-CG2 3.51Å; Y427-V432 PolarHBondContact O-N 3.14Å; L428-V432 HydrophobicContact CD1-CB 4.29Å; L428-V432 HydrophobicContact CD1-CG1 4.37Å; V432-W435 PolarHBondContact O-N 3.14Å; V432-H436 WeakPolarHBondContact O-CB 3.42Å; V432-H436 PolarHBondContact O-N 3.14Å
433L96.6Very high92.7Very high0 Ų021.9 Ų21.90%010%0.097CC..Iπ-helixtrans-70.4-36.5-173.5-67171.1000112.3R404 L428 H436 L437 M485 F488 I489 F492R404-L433 HydrophobicContact CG-CD2 4.44Å; L428-L433 HydrophobicContact CD1-CD1 4.12Å; L428-L433 HydrophobicContact CD1-CG 3.96Å; L428-L433 HydrophobicContact CG-CD1 3.86Å; L428-L433 HydrophobicContact CG-CG 4.18Å; L428-L433 VanDerWaalsContact O-CB 3.26Å; L428-L433 WeakPolarHBondContact O-CB 3.44Å; L428-L433 WeakPolarHBondContact O-CG 3.47Å; L428-L433 PolarHBondContact O-N 3.38Å; L433-H436 WeakPolarHBondContact O-CB 3.09Å; L433-H436 PolarHBondContact O-N 2.76Å; L433-L437 PolarHBondContact O-N 3.26Å; L433-M485 HydrophobicContact CD2-SD 3.87Å; L433-F488 HydrophobicContact CD1-CB 3.82Å; L433-F488 HydrophobicContact CD2-CB 4.19Å; L433-F488 HydrophobicContact CD2-CD2 4.48Å; L433-I489 HydrophobicContact CB-CD1 4.38Å; L433-I489 HydrophobicContact CB-CG1 3.53Å; L433-I489 HydrophobicContact CD1-CG1 4.46Å; L433-F492 HydrophobicContact CD1-CD2 3.76Å; L433-F492 HydrophobicContact CD1-CE2 4.45Å
434R95.3Very high92.4Very high143 Ų14324 Ų2454%0.5411%0.107SC..Hα-helixtrans-60-51.5174.3173.9-178.9153.2174.3-5.1111.2T429 H436 L437 E438T429-R434 VanDerWaalsContact O-CB 3.27Å; T429-R434 WeakPolarHBondContact O-CB 3.36Å; T429-R434 PolarHBondContact O-N 3.29Å; R434-H436 PolarHBondContact O-N 3.21Å; R434-L437 PolarHBondContact O-N 3.14Å; R434-E438 WeakPolarHBondContact O-CB 3.37Å; R434-E438 PolarHBondContact O-N 2.87Å
435W94.8Very high91.8Very high23 Ų2325.3 Ų25.39%0.08712%0.121CC..Hα-helixtrans-64.6-32.8176.9-84.3102.5000112T386 L388 L400 V431 V432 E438 V439 P538 F539T386-W435 HydrophobicContact CG2-CH2 3.8Å; T386-W435 HydrophobicContact CG2-CZ2 4.5Å; L388-W435 HydrophobicContact CD1-CZ3 4.06Å; L400-W435 HydrophobicContact CD1-CB 3.68Å; L400-W435 HydrophobicContact CD2-CB 4.37Å; V431-W435 VanDerWaalsContact O-CB 3.27Å; V431-W435 WeakPolarHBondContact O-CB 3.09Å; V431-W435 PolarHBondContact O-N 2.73Å; V432-W435 PolarHBondContact O-N 3.14Å; W435-E438 PolarHBondContact O-N 3.45Å; W435-V439 HydrophobicContact CE3-CG2 4.47Å; W435-V439 WeakPolarHBondContact O-CB 3.48Å; W435-V439 WeakPolarHBondContact O-CG2 3.36Å; W435-V439 PolarHBondContact O-N 3.14Å; W435-P538 HydrophobicContact CD2-CG 4.04Å; W435-P538 HydrophobicContact CH2-CG 3.93Å; W435-P538 HydrophobicContact CZ2-CB 4.1Å; W435-P538 HydrophobicContact CZ2-CG 3.26Å; W435-F539 HydrophobicContact CB-CD1 4.47Å; W435-F539 HydrophobicContact CB-CE1 3.84Å; W435-F539 AromaticContact CD2-CE1 3.88Å; W435-F539 HydrophobicContact CD2-CE1 3.88Å; W435-F539 HydrophobicContact CE3-CE1 4.21Å; W435-F539 HydrophobicContact CE3-CZ 4.45Å; W435-F539 HydrophobicContact CG-CD1 4.28Å; W435-F539 AromaticContact CG-CE1 3.68Å; W435-F539 HydrophobicContact CG-CE1 3.68Å
436H93.7Very high91.1Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-62.9-47.8177.5-154127.4000110.1Y397 L400 E401 V432 L433 R434 V439 M440Y397-H436 AromaticContact CD2-NE2 3.46Å; Y397-H436 WeakPolarHBondContact CD2-NE2 3.24Å; Y397-H436 AromaticContact CE2-NE2 3.23Å; Y397-H436 WeakPolarHBondContact CE2-NE2 3.36Å; L400-H436 HydrophobicContact CB-CB 4.28Å; L400-H436 WeakPolarHBondContact CB-ND1 3.24Å; L400-H436 HydrophobicContact CD1-CB 4.11Å; E401-H436 IonicContact OE2-CE1 2.82Å; E401-H436 PolarHBondContact OE2-CE1 3.17Å; E401-H436 IonicContact OE2-NE2 2.82Å; V432-H436 WeakPolarHBondContact O-CB 3.42Å; V432-H436 PolarHBondContact O-N 3.14Å; L433-H436 WeakPolarHBondContact O-CB 3.09Å; L433-H436 PolarHBondContact O-N 2.76Å; R434-H436 PolarHBondContact O-N 3.21Å; H436-V439 PolarHBondContact O-N 3.49Å; H436-M440 VanDerWaalsContact O-CG 3.27Å; H436-M440 WeakPolarHBondContact O-CG 3.37Å; H436-M440 PolarHBondContact O-N 2.96Å; H436-M440 VanDerWaalsContact O-N 3.07Å
437L93.8Very high90.2Very high27 Ų2726 Ų2614%0.14113%0.125CC..Hα-helixtrans-60.6-46175.6-18065.2000111.9L433 R434 V439 M440 Q441 L482 Q486 I489L433-L437 PolarHBondContact O-N 3.26Å; R434-L437 PolarHBondContact O-N 3.14Å; L437-V439 PolarHBondContact O-N 2.8Å; L437-M440 PolarHBondContact O-N 3.1Å; L437-Q441 WeakPolarHBondContact O-CG 3.29Å; L437-Q441 PolarHBondContact O-N 3.42Å; L437-L482 HydrophobicContact CD1-CD1 3.34Å; L437-L482 HydrophobicContact CD1-CG 3.89Å; L437-Q486 HydrophobicContact CD1-CG 3.88Å; L437-Q486 HydrophobicContact CD2-CG 3.98Å; L437-I489 HydrophobicContact CB-CD1 3.9Å; L437-I489 HydrophobicContact CD2-CD1 3.63Å; L437-I489 HydrophobicContact CG-CD1 4.36Å
438E91.5Very high89.3Confident46 Ų4630.7 Ų30.722%0.21515%0.151CC..Hα-helixtrans-61.7-44.3-179.5180165.4-173.400112.1R434 W435 M440 Q441 R442R434-E438 WeakPolarHBondContact O-CB 3.37Å; R434-E438 PolarHBondContact O-N 2.87Å; W435-E438 PolarHBondContact O-N 3.45Å; E438-M440 PolarHBondContact O-N 3.48Å; E438-Q441 PolarHBondContact O-N 3.22Å; E438-R442 WeakPolarHBondContact O-CG 3.49Å; E438-R442 PolarHBondContact O-N 3.43Å; E438-R442 IonicContact OE1-CZ 3.7Å; E438-R442 IonicContact OE1-NE 2.69Å; E438-R442 IonicContact OE1-NH2 3.12Å; E438-R442 PolarHBondContact OE1-NH2 2.93Å
439V90.7Very high88.2Confident0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-65.6-39.3178168.80000111.4C393 V396 W435 H436 L437 R442 C443C393-V439 HydrophobicContact CB-CG1 4.04Å; C393-V439 VanDerWaalsContact O-CG1 3.23Å; C393-V439 WeakPolarHBondContact O-CG1 3.5Å; V396-V439 HydrophobicContact CB-CG2 4.21Å; V396-V439 HydrophobicContact CG1-CG2 3.5Å; V396-V439 VanDerWaalsContact CG1-CG2 3.5Å; W435-V439 HydrophobicContact CE3-CG2 4.47Å; W435-V439 WeakPolarHBondContact O-CB 3.48Å; W435-V439 WeakPolarHBondContact O-CG2 3.36Å; W435-V439 PolarHBondContact O-N 3.14Å; H436-V439 PolarHBondContact O-N 3.49Å; L437-V439 PolarHBondContact O-N 2.8Å; V439-R442 PolarHBondContact O-N 2.69Å; V439-C443 WeakPolarHBondContact O-CB 3.14Å; V439-C443 PolarHBondContact O-N 3.18Å; V439-C443 PolarHBondContact O-SG 3.25Å
440M89.5Confident87Confident10 Ų1034.4 Ų34.45%0.04917%0.17CC..Hα-helixtrans-61.1-45.2174.3-72.5178.568.500111.7Y397 H436 L437 E438 C443 E444 E481 L482 M485Y397-M440 HydrophobicContact CD2-CG 4.28Å; Y397-M440 HydrophobicContact CE2-CG 4.3Å; H436-M440 VanDerWaalsContact O-CG 3.27Å; H436-M440 WeakPolarHBondContact O-CG 3.37Å; H436-M440 PolarHBondContact O-N 2.96Å; H436-M440 VanDerWaalsContact O-N 3.07Å; L437-M440 PolarHBondContact O-N 3.1Å; E438-M440 PolarHBondContact O-N 3.48Å; M440-C443 WeakPolarHBondContact O-CB 3.26Å; M440-C443 PolarHBondContact O-N 3.45Å; M440-E444 PolarHBondContact O-N 2.97Å; M440-E481 HydrophobicContact CE-CB 3.72Å; M440-E481 HydrophobicContact CE-CG 3.52Å; M440-E481 HydrophobicContact SD-CG 4.12Å; M440-L482 HydrophobicContact CB-CD1 4.08Å; M440-L482 HydrophobicContact CE-CB 4.1Å; M440-L482 HydrophobicContact CE-CD1 4.21Å; M440-M485 HydrophobicContact SD-CG 3.95Å
441Q88.5Confident85.9Confident92 Ų9234.3 Ų34.343%0.4317%0.17SC..Hα-helixtrans-64.8-38.7177.7-70.3173.9-22.700112.3L437 E438 E444 G445 L482L437-Q441 WeakPolarHBondContact O-CG 3.29Å; L437-Q441 PolarHBondContact O-N 3.42Å; E438-Q441 PolarHBondContact O-N 3.22Å; Q441-E444 WeakPolarHBondContact O-CB 3.42Å; Q441-E444 PolarHBondContact O-N 2.85Å; Q441-G445 PolarHBondContact O-N 3.4Å; Q441-L482 HydrophobicContact CG-CD1 4.01Å
442R85Confident84.7Confident32 Ų3238.1 Ų38.112%0.12119%0.193CC..Hα-helixtrans-62.7-45.1173-72.1178.2-170.6-163.54.3111.8T386 E438 V439 E444 G445 F446T386-R442 PolarHBondContact O-NH1 3.16Å; T386-R442 VanDerWaalsContact OG1-CZ 3.31Å; T386-R442 PolarHBondContact OG1-NH1 2.98Å; T386-R442 PolarHBondContact OG1-NH2 2.89Å; E438-R442 WeakPolarHBondContact O-CG 3.49Å; E438-R442 PolarHBondContact O-N 3.43Å; E438-R442 IonicContact OE1-CZ 3.7Å; E438-R442 IonicContact OE1-NE 2.69Å; E438-R442 IonicContact OE1-NH2 3.12Å; E438-R442 PolarHBondContact OE1-NH2 2.93Å; V439-R442 PolarHBondContact O-N 2.69Å; R442-E444 VanDerWaalsContact C-N 3.26Å; R442-E444 PolarHBondContact O-N 3.1Å; R442-G445 CarbonylContact O-C 3.56Å; R442-G445 WeakPolarHBondContact O-CA 3.44Å; R442-G445 PolarHBondContact O-N 2.9Å; R442-G445 VanDerWaalsContact O-N 3.08Å; R442-F446 HydrophobicContact CB-CE2 4.19Å; R442-F446 HydrophobicContact CB-CZ 4.29Å; R442-F446 WeakPolarHBondContact O-CD2 3.3Å; R442-F446 VanDerWaalsContact O-CG 3.27Å; R442-F446 WeakPolarHBondContact O-CG 3.37Å; R442-F446 PolarHBondContact O-N 3.04Å
443C85.2Confident83.2Confident2 Ų241.9 Ų41.91%0.01422%0.215CC..Hα-helixtrans-58.1-38.9175.5-68.60000112.1L296 C297 V439 M440 F446 V447L296-C443 HydrophobicContact CD1-CB 4.39Å; L296-C443 HydrophobicContact CG-CB 4.28Å; C297-C443 HydrophobicContact CB-CB 4.38Å; V439-C443 WeakPolarHBondContact O-CB 3.14Å; V439-C443 PolarHBondContact O-N 3.18Å; V439-C443 PolarHBondContact O-SG 3.25Å; M440-C443 WeakPolarHBondContact O-CB 3.26Å; M440-C443 PolarHBondContact O-N 3.45Å; C443-F446 PolarHBondContact O-N 3.48Å; C443-V447 VanDerWaalsContact O-CG2 3.3Å; C443-V447 WeakPolarHBondContact O-CG2 3.4Å; C443-V447 PolarHBondContact O-N 3.33Å; C443-V447 VanDerWaalsContact O-N 3.14Å
444E83.2Confident81.7Confident48 Ų4843 Ų4322%0.22422%0.223CC..Hα-helixtrans-63-47.3172.1-71.8178.5167.200111.8M440 Q441 R442 F446 V447 D448M440-E444 PolarHBondContact O-N 2.97Å; Q441-E444 WeakPolarHBondContact O-CB 3.42Å; Q441-E444 PolarHBondContact O-N 2.85Å; R442-E444 VanDerWaalsContact C-N 3.26Å; R442-E444 PolarHBondContact O-N 3.1Å; E444-F446 VanDerWaalsContact C-N 3.29Å; E444-F446 PolarHBondContact O-N 3.21Å; E444-V447 PolarHBondContact O-N 3.2Å; E444-V447 VanDerWaalsContact O-N 3.12Å; E444-D448 PolarHBondContact O-N 3.45Å
445G80.1Confident80Confident30 Ų3039.8 Ų39.831%0.30922%0.22SC..Hα-helixtrans-58.4-37.1175.500000113.8Q441 R442 T449Q441-G445 PolarHBondContact O-N 3.4Å; R442-G445 CarbonylContact O-C 3.56Å; R442-G445 WeakPolarHBondContact O-CA 3.44Å; R442-G445 PolarHBondContact O-N 2.9Å; R442-G445 VanDerWaalsContact O-N 3.08Å; G445-T449 WeakPolarHBondContact O-CB 3.43Å; G445-T449 PolarHBondContact O-N 3.28Å; G445-T449 PolarHBondContact O-OG1 3.3Å
446F79.7Confident78.3Confident16 Ų1643.2 Ų43.27%0.0725%0.247CC..Hα-helixtrans-65.3-44.2174.7-61.5-35000112C297 N390 C393 R442 C443 E444 T449 F450C297-F446 HydrophobicContact CB-CD2 4.04Å; C297-F446 WeakPolarHBondContact O-CB 3.36Å; N390-F446 HydrophobicContact CB-CD2 4.21Å; N390-F446 HydrophobicContact CB-CE2 4.39Å; N390-F446 VanDerWaalsContact OD1-CD1 3.3Å; N390-F446 WeakPolarHBondContact OD1-CD1 3.49Å; N390-F446 WeakPolarHBondContact OD1-CD2 3.25Å; N390-F446 WeakPolarHBondContact OD1-CE1 3.43Å; N390-F446 WeakPolarHBondContact OD1-CG 3.34Å; C393-F446 HydrophobicContact CB-CE2 4.05Å; R442-F446 HydrophobicContact CB-CE2 4.19Å; R442-F446 HydrophobicContact CB-CZ 4.29Å; R442-F446 WeakPolarHBondContact O-CD2 3.3Å; R442-F446 VanDerWaalsContact O-CG 3.27Å; R442-F446 WeakPolarHBondContact O-CG 3.37Å; R442-F446 PolarHBondContact O-N 3.04Å; C443-F446 PolarHBondContact O-N 3.48Å; E444-F446 VanDerWaalsContact C-N 3.29Å; E444-F446 PolarHBondContact O-N 3.21Å; F446-T449 PolarHBondContact O-N 3.45Å; F446-F450 WeakPolarHBondContact O-CB 3.05Å; F446-F450 PolarHBondContact O-N 3.49Å
447V76.7Confident76.4Confident10 Ų1046.3 Ų46.36%0.06127%0.266CS..Hα-helixtrans-64.1-41.9177.9172.40000111.1M298 C443 E444 F450 N451M298-V447 HydrophobicContact CB-CG2 4.15Å; M298-V447 HydrophobicContact CG-CG2 3.81Å; C443-V447 VanDerWaalsContact O-CG2 3.3Å; C443-V447 WeakPolarHBondContact O-CG2 3.4Å; C443-V447 PolarHBondContact O-N 3.33Å; C443-V447 VanDerWaalsContact O-N 3.14Å; E444-V447 PolarHBondContact O-N 3.2Å; E444-V447 VanDerWaalsContact O-N 3.12Å; V447-F450 PolarHBondContact O-N 3.34Å; V447-N451 WeakPolarHBondContact O-CB 3.48Å; V447-N451 VanDerWaalsContact O-CG 3.27Å; V447-N451 PolarHBondContact O-N 3.09Å; V447-N451 PolarHBondContact O-ND2 2.88Å; V447-N451 VanDerWaalsContact O-ND2 3.08Å
448D75.6Confident74.2Confident101 Ų10156.8 Ų56.854%0.5430%0.304SS..Hα-helixtrans-64.4-44.2176.5-73.6-18.1000111.7E444 F450 N451 V452E444-D448 PolarHBondContact O-N 3.45Å; D448-F450 PolarHBondContact O-N 3.01Å; D448-N451 PolarHBondContact O-N 3.14Å; D448-V452 WeakPolarHBondContact O-CG2 3.48Å; D448-V452 PolarHBondContact O-N 2.98Å
449T72.3Confident72.1Confident43 Ų4360.2 Ų60.226%0.26432%0.323SS..Hα-helixtrans-60.8-46.3176.3-58.70000111V377 G445 F446 N451 V452 V453V377-T449 HydrophobicContact CG2-CG2 4.44Å; G445-T449 WeakPolarHBondContact O-CB 3.43Å; G445-T449 PolarHBondContact O-N 3.28Å; G445-T449 PolarHBondContact O-OG1 3.3Å; F446-T449 PolarHBondContact O-N 3.45Å; T449-N451 VanDerWaalsContact C-N 3.35Å; T449-N451 PolarHBondContact O-N 3.09Å; T449-V452 PolarHBondContact O-N 2.86Å; T449-V453 WeakPolarHBondContact O-CG2 3.43Å; T449-V453 PolarHBondContact O-N 2.96Å
450F71.2Confident70.1Confident36 Ų3669.1 Ų69.116%0.15836%0.362CS..Hα-helixtrans-58.4-46.3175.7-178.2-88.1000111.6M298 F446 V447 D448 V452 V453 C454M298-F450 HydrophobicContact CB-CB 4.25Å; M298-F450 HydrophobicContact CB-CD1 4.47Å; M298-F450 HydrophobicContact CB-CD2 4.46Å; M298-F450 HydrophobicContact CB-CG 4.14Å; M298-F450 HydrophobicContact CE-CD1 3.43Å; M298-F450 VanDerWaalsContact CE-CD1 3.43Å; M298-F450 HydrophobicContact CE-CD2 4.41Å; M298-F450 HydrophobicContact CE-CE1 3.11Å; M298-F450 HydrophobicContact CE-CE2 4.16Å; M298-F450 HydrophobicContact CE-CG 4.08Å; M298-F450 HydrophobicContact CE-CZ 3.53Å; F446-F450 WeakPolarHBondContact O-CB 3.05Å; F446-F450 PolarHBondContact O-N 3.49Å; V447-F450 PolarHBondContact O-N 3.34Å; D448-F450 PolarHBondContact O-N 3.01Å; F450-V452 VanDerWaalsContact C-N 3.32Å; F450-V452 PolarHBondContact O-N 2.87Å; F450-V453 PolarHBondContact O-N 3.34Å; F450-C454 WeakPolarHBondContact CE1-SG 3.47Å; F450-C454 WeakPolarHBondContact CZ-SG 3.47Å; F450-C454 WeakPolarHBondContact O-CB 3.39Å; F450-C454 PolarHBondContact O-N 2.77Å; F450-C454 PolarHBondContact O-SG 3.48Å
451N69.8Low68Low46 Ų4675.9 Ų75.925%0.24640%0.399CS..Hα-helixtrans-59.6-41.2177.9-77-39.4000112.3V447 D448 T449 T455V447-N451 WeakPolarHBondContact O-CB 3.48Å; V447-N451 VanDerWaalsContact O-CG 3.27Å; V447-N451 PolarHBondContact O-N 3.09Å; V447-N451 PolarHBondContact O-ND2 2.88Å; V447-N451 VanDerWaalsContact O-ND2 3.08Å; D448-N451 PolarHBondContact O-N 3.14Å; T449-N451 VanDerWaalsContact C-N 3.35Å; T449-N451 PolarHBondContact O-N 3.09Å; N451-T455 VanDerWaalsContact O-CG2 3.32Å; N451-T455 WeakPolarHBondContact O-CG2 3.41Å; N451-T455 PolarHBondContact O-N 3.31Å; N451-T455 PolarHBondContact O-OG1 3.35Å
452V69.3Low66.3Low96 Ų9675.3 Ų75.358%0.58240%0.399SS*.Hα-helixtrans-64.8-47.9176.7172.20000111.1D448 T449 F450 C454 T455 S456D448-V452 WeakPolarHBondContact O-CG2 3.48Å; D448-V452 PolarHBondContact O-N 2.98Å; T449-V452 PolarHBondContact O-N 2.86Å; F450-V452 VanDerWaalsContact C-N 3.32Å; F450-V452 PolarHBondContact O-N 2.87Å; V452-C454 PolarHBondContact O-N 3.06Å; V452-T455 WeakPolarHBondContact CA-OG1 3.3Å; V452-T455 PolarHBondContact O-N 2.88Å; V452-T455 VanDerWaalsContact O-N 3.12Å; V452-T455 PolarHBondContact O-OG1 3.14Å; V452-S456 PolarHBondContact O-N 2.81Å; V452-S456 VanDerWaalsContact O-N 3.11Å
453V65.6Low64.7Low78 Ų7883.7 Ų83.747%0.47343%0.43SS..Hα-helixtrans-58.5-49.1178.2173.80000110.4T449 F450 T455 S456 T457T449-V453 WeakPolarHBondContact O-CG2 3.43Å; T449-V453 PolarHBondContact O-N 2.96Å; F450-V453 PolarHBondContact O-N 3.34Å; V453-T455 VanDerWaalsContact C-N 3.27Å; V453-T455 PolarHBondContact O-N 3.16Å; V453-S456 PolarHBondContact O-N 3.24Å; V453-S456 PolarHBondContact O-OG 2.83Å; V453-T457 PolarHBondContact O-N 2.92Å; V453-T457 VanDerWaalsContact O-N 3.09Å; V453-T457 PolarHBondContact O-OG1 3.35Å
454C63.7Low63.2Low24 Ų2492.8 Ų92.816%0.16246%0.464CS..Hα-helixtrans-63.4-27.1177.7-690000114F450 V452 T457 L465F450-C454 WeakPolarHBondContact CE1-SG 3.47Å; F450-C454 WeakPolarHBondContact CZ-SG 3.47Å; F450-C454 WeakPolarHBondContact O-CB 3.39Å; F450-C454 PolarHBondContact O-N 2.77Å; F450-C454 PolarHBondContact O-SG 3.48Å; V452-C454 PolarHBondContact O-N 3.06Å; C454-T457 WeakPolarHBondContact CA-OG1 3.29Å; C454-T457 PolarHBondContact O-OG1 2.93Å; C454-L465 HydrophobicContact CB-CD2 3.8Å
455T59.5Low61.5Low76 Ų7692.2 Ų92.247%0.46646%0.463SS..Hα-helixtrans-74.3-29.3172.6540000113.6N451 V452 V453N451-T455 VanDerWaalsContact O-CG2 3.32Å; N451-T455 WeakPolarHBondContact O-CG2 3.41Å; N451-T455 PolarHBondContact O-N 3.31Å; N451-T455 PolarHBondContact O-OG1 3.35Å; V452-T455 WeakPolarHBondContact CA-OG1 3.3Å; V452-T455 PolarHBondContact O-N 2.88Å; V452-T455 VanDerWaalsContact O-N 3.12Å; V452-T455 PolarHBondContact O-OG1 3.14Å; V453-T455 VanDerWaalsContact C-N 3.27Å; V453-T455 PolarHBondContact O-N 3.16Å
456S59.7Low60Low94 Ų9497.4 Ų97.466%0.65748%0.479SS*.Hα-helixtrans-79.8-34.8-178.969.20000112.3V452 V453V452-S456 PolarHBondContact O-N 2.81Å; V452-S456 VanDerWaalsContact O-N 3.11Å; V453-S456 PolarHBondContact O-N 3.24Å; V453-S456 PolarHBondContact O-OG 2.83Å
457T53.2Low58.5Low66 Ų66104.3 Ų104.341%0.40551%0.509SS..SBendtrans-72.4135.8168.751.50000109.5V453 C454 D459V453-T457 PolarHBondContact O-N 2.92Å; V453-T457 VanDerWaalsContact O-N 3.09Å; V453-T457 PolarHBondContact O-OG1 3.35Å; C454-T457 WeakPolarHBondContact CA-OG1 3.29Å; C454-T457 PolarHBondContact O-OG1 2.93Å; T457-D459 PolarHBondContact O-N 3.25Å
458R48.4Very low57.1Low246 Ų246109 Ų10993%0.92853%0.531SS*.SBendtrans-63.113.3-170.6-110.5177.1163.4-176.1-4.9116.3K460R458-K460 PolarHBondContact O-N 3.27Å
459D48.1Very low55.8Low118 Ų118109.2 Ų109.263%0.63153%0.525SS*.  trans-79.351.2179.3-71.3-28.3000112.8T457 N461T457-D459 PolarHBondContact O-N 3.25Å; D459-N461 PolarHBondContact O-N 2.96Å; D459-N461 VanDerWaalsContact O-N 3.16Å
460K47.6Very low54.4Low187 Ų187110.9 Ų110.981%0.81354%0.543SS*.THydrogen-bonded Turntrans-63.2-14.1171.5-77.2-175.8175.6178.80113.2R458R458-K460 PolarHBondContact O-N 3.27Å
461N46.1Very low53.1Low153 Ų153118.5 Ų118.582%0.81858%0.576SS**THydrogen-bonded Turntrans-95.5-1.1-172.9-76.6-7.6000115.2D459 R463D459-N461 PolarHBondContact O-N 2.96Å; D459-N461 VanDerWaalsContact O-N 3.16Å; N461-R463 PolarHBondContact O-N 3.16Å
462D53.3Low51.8Low80 Ų80119.9 Ų119.943%0.42858%0.583SS.*  trans-79.197.3176.2-158-13.3000111.4R464 L465D462-R464 PolarHBondContact O-N 2.95Å; D462-R464 WeakPolarHBondContact OD1-CB 3.27Å; D462-R464 PolarHBondContact OD1-N 3.34Å; D462-R464 VanDerWaalsContact OD1-N 3.13Å; D462-L465 HydrophobicContact CB-CD1 4.18Å; D462-L465 PolarHBondContact O-N 3.2Å
463R51.6Low50.3Low208 Ų208126.3 Ų126.379%0.78560%0.596SS**Hα-helixtrans-53.6-21.2175.6-70.8179.4174.5177.4-1.7112.7N461 K467N461-R463 PolarHBondContact O-N 3.16Å; R463-K467 PolarHBondContact O-N 2.82Å
464R51.8Low48.8Very low192 Ų192124.7 Ų124.773%0.72560%0.595SS**Hα-helixtrans-67.1-43.9174-77.1-178.4169.5176-1112.5D462 Q466 K467 M468D462-R464 PolarHBondContact O-N 2.95Å; D462-R464 WeakPolarHBondContact OD1-CB 3.27Å; D462-R464 PolarHBondContact OD1-N 3.34Å; D462-R464 VanDerWaalsContact OD1-N 3.13Å; R464-Q466 PolarHBondContact O-N 3.33Å; R464-K467 PolarHBondContact O-N 3.39Å; R464-M468 WeakPolarHBondContact O-CG 3.16Å; R464-M468 PolarHBondContact O-N 3.02Å
465L48.8Very low47.7Very low37 Ų37128 Ų12819%0.19462%0.616CS.*Hα-helixtrans-64.8-39.9178.8-98.9130.7000111.6C454 D462 M468 R469C454-L465 HydrophobicContact CB-CD2 3.8Å; D462-L465 HydrophobicContact CB-CD1 4.18Å; D462-L465 PolarHBondContact O-N 3.2Å; L465-M468 PolarHBondContact O-N 2.92Å; L465-R469 VanDerWaalsContact O-CG 3.3Å; L465-R469 WeakPolarHBondContact O-CG 3.26Å; L465-R469 PolarHBondContact O-N 2.96Å
466Q48.2Very low47.8Very low139 Ų139125.6 Ų125.665%0.6560%0.603SS**Hα-helixtrans-68.6-38178.5-156.7174.124.500112.4R464 R469 A470R464-Q466 PolarHBondContact O-N 3.33Å; Q466-R469 PolarHBondContact O-N 3.23Å; Q466-A470 PolarHBondContact O-N 3.31Å; Q466-A470 VanDerWaalsContact O-N 3.12Å
467K49.2Very low48.2Very low161 Ų161125.3 Ų125.370%0.760%0.601SS**Hα-helixtrans-67.9-35.5172.6-84.7-176176.1179.70112.9R463 R464 K471R463-K467 PolarHBondContact O-N 2.82Å; R464-K467 PolarHBondContact O-N 3.39Å; K467-K471 PolarHBondContact O-N 3.12Å
468M45.8Very low49.3Very low107 Ų107124.4 Ų124.453%0.52759%0.59SS.*Hα-helixtrans-62.9-47.9172.2-74.7-73.3-84.400110.4R464 L465 A470 K471 L472R464-M468 WeakPolarHBondContact O-CG 3.16Å; R464-M468 PolarHBondContact O-N 3.02Å; L465-M468 PolarHBondContact O-N 2.92Å; M468-A470 VanDerWaalsContact C-N 3.34Å; M468-A470 PolarHBondContact O-N 3.46Å; M468-K471 PolarHBondContact O-N 2.91Å; M468-L472 WeakPolarHBondContact O-CD1 3.33Å
469R47.8Very low50.9Low107 Ų107115.3 Ų115.340%0.40456%0.56SS.*Hα-helixtrans-56.9-41.2177-72.3174.5-170.9174.28.9113.7L465 Q466 L472L465-R469 VanDerWaalsContact O-CG 3.3Å; L465-R469 WeakPolarHBondContact O-CG 3.26Å; L465-R469 PolarHBondContact O-N 2.96Å; Q466-R469 PolarHBondContact O-N 3.23Å; R469-L472 PolarHBondContact O-N 3.41Å
470A43Very low52.8Low78 Ų78112.3 Ų112.365%0.64555%0.546SS*.Hα-helixtrans-72.4-30.4-176.500000113.6Q466 M468 L472Q466-A470 PolarHBondContact O-N 3.31Å; Q466-A470 VanDerWaalsContact O-N 3.12Å; M468-A470 VanDerWaalsContact C-N 3.34Å; M468-A470 PolarHBondContact O-N 3.46Å; A470-L472 VanDerWaalsContact C-N 3.32Å
471K44.2Very low54.6Low195 Ų195104.7 Ų104.785%0.84851%0.513SS*.Hα-helixtrans-78.4-13177.2-82.4-176.7174.8-177.60114K467 M468K467-K471 PolarHBondContact O-N 3.12Å; M468-K471 PolarHBondContact O-N 2.91Å
472L42.8Very low56.7Low76 Ų7698.5 Ų98.540%0.39848%0.48SS..THydrogen-bonded Turntrans-88.4-1.1-175.5-97.1142.1000114.7M468 R469 A470M468-L472 WeakPolarHBondContact O-CD1 3.33Å; R469-L472 PolarHBondContact O-N 3.41Å; A470-L472 VanDerWaalsContact C-N 3.32Å
473R37.8Very low58.6Low230 Ų23098.4 Ų98.487%0.86847%0.473SS*.  trans-103-1.1-171.3-82.2-173.7174.5166.1-2.4117.5
474G33.3Very low60.5Low44 Ų4489.8 Ų89.845%0.45444%0.442SS..SBendtrans-71.9163.2159.800000109.5S476G474-S476 VanDerWaalsContact C-N 3.33Å; G474-S476 WeakPolarHBondContact O-CA 3.22Å; G474-S476 PolarHBondContact O-N 3.24Å
475P42.2Very low62.5Low93 Ų9381 Ų8160%0.60441%0.41SS*.SBendtrans-50.2108.5167.520.9-29.5000106.5S477 V584P475-S477 PolarHBondContact O-N 3.1Å; P475-V584 HydrophobicContact CB-CG1 3.81Å; P475-V584 HydrophobicContact CB-CG2 3.98Å
476S60.5Low64.7Low26 Ų2681.5 Ų81.518%0.18241%0.411CS..  trans-66.7145.9-163.1177.30000105.9G474 R478 D479 V480G474-S476 VanDerWaalsContact C-N 3.33Å; G474-S476 WeakPolarHBondContact O-CA 3.22Å; G474-S476 PolarHBondContact O-N 3.24Å; S476-R478 CarbonylContact O-C 3.59Å; S476-R478 PolarHBondContact O-N 3.01Å; S476-R478 PolarHBondContact OG-N 2.72Å; S476-D479 PolarHBondContact N-OD2 3.4Å; S476-D479 PolarHBondContact O-N 3.22Å; S476-V480 PolarHBondContact O-N 3.27Å
477S68.7Low66.9Low88 Ų8874.9 Ų74.962%0.61538%0.38SS*.Hα-helixtrans-48.2-22167.3176.20000112.1P475P475-S477 PolarHBondContact O-N 3.1Å
478R75.7Confident69.1Low48 Ų4868 Ų6818%0.18135%0.35CS..Hα-helixtrans-73.4-40.6172.5-61.2-176.8-179.6-172.3-3.8114.5K295 L296 S476 V480 E481 L482K295-R478 PolarHBondContact O-NH2 3.16Å; L296-R478 PolarHBondContact O-NH2 2.83Å; L296-R478 VanDerWaalsContact O-NH2 3.11Å; S476-R478 CarbonylContact O-C 3.59Å; S476-R478 PolarHBondContact O-N 3.01Å; S476-R478 PolarHBondContact OG-N 2.72Å; R478-V480 VanDerWaalsContact C-N 3.27Å; R478-V480 PolarHBondContact O-N 3.39Å; R478-E481 PolarHBondContact O-N 3.21Å; R478-E481 VanDerWaalsContact O-N 3.16Å; R478-L482 WeakPolarHBondContact O-CB 3.41Å; R478-L482 PolarHBondContact O-N 2.85Å
479D82Confident71.6Confident55 Ų5564.3 Ų64.329%0.29433%0.332SS..Hα-helixtrans-61.8-39.7179.2-68.1-43.5000111.1S476 R483S476-D479 PolarHBondContact N-OD2 3.4Å; S476-D479 PolarHBondContact O-N 3.22Å; D479-R483 WeakPolarHBondContact O-CB 3.45Å; D479-R483 WeakPolarHBondContact O-CG 3.43Å; D479-R483 PolarHBondContact O-N 3.28Å; D479-R483 VanDerWaalsContact O-N 3.1Å
480V87.4Confident73.9Confident54 Ų5462.3 Ų62.333%0.32733%0.326SS..Hα-helixtrans-59.9-50.2174.9174.80000109.8S476 R478 R483 M484 V584 L585S476-V480 PolarHBondContact O-N 3.27Å; R478-V480 VanDerWaalsContact C-N 3.27Å; R478-V480 PolarHBondContact O-N 3.39Å; V480-R483 PolarHBondContact O-N 3.18Å; V480-M484 HydrophobicContact CG1-CG 4.46Å; V480-M484 WeakPolarHBondContact O-CB 3.44Å; V480-M484 VanDerWaalsContact O-CG 3.23Å; V480-M484 WeakPolarHBondContact O-CG 3.27Å; V480-M484 PolarHBondContact O-N 3.16Å; V480-V584 HydrophobicContact CG2-CG1 3.61Å; V480-L585 HydrophobicContact CB-CD2 4.4Å; V480-L585 HydrophobicContact CG1-CD2 3.89Å
481E86.6Confident76.5Confident28 Ų2858.6 Ų58.613%0.13130%0.296CS..Hα-helixtrans-65.2-42.9-177.6-169.4177.6-171.500112.3K246 Y397 M440 R478 R483 M484 M485K246-E481 IonicContact NZ-OE1 3.58Å; K246-E481 PolarHBondContact NZ-OE1 3.44Å; K246-E481 IonicContact NZ-OE2 3.46Å; K246-E481 PolarHBondContact NZ-OE2 3.26Å; Y397-E481 WeakPolarHBondContact CE2-OE1 3.35Å; Y397-E481 PolarHBondContact OH-OE1 3.36Å; M440-E481 HydrophobicContact CE-CB 3.72Å; M440-E481 HydrophobicContact CE-CG 3.52Å; M440-E481 HydrophobicContact SD-CG 4.12Å; R478-E481 PolarHBondContact O-N 3.21Å; R478-E481 VanDerWaalsContact O-N 3.16Å; E481-R483 VanDerWaalsContact C-N 3.35Å; E481-R483 PolarHBondContact O-N 2.97Å; E481-M484 PolarHBondContact O-N 2.53Å; E481-M485 WeakPolarHBondContact O-CG 3.32Å; E481-M485 PolarHBondContact O-N 3.03Å
482L90.5Very high79Confident22 Ų2249.3 Ų49.312%0.11526%0.255CS..Hα-helixtrans-60.7-46.2178.3-169.579.9000110.8L437 M440 Q441 R478 M485 Q486L437-L482 HydrophobicContact CD1-CD1 3.34Å; L437-L482 HydrophobicContact CD1-CG 3.89Å; M440-L482 HydrophobicContact CB-CD1 4.08Å; M440-L482 HydrophobicContact CE-CB 4.1Å; M440-L482 HydrophobicContact CE-CD1 4.21Å; Q441-L482 HydrophobicContact CG-CD1 4.01Å; R478-L482 WeakPolarHBondContact O-CB 3.41Å; R478-L482 PolarHBondContact O-N 2.85Å; L482-M485 PolarHBondContact O-N 3.26Å; L482-Q486 VanDerWaalsContact O-CG 3.32Å; L482-Q486 WeakPolarHBondContact O-CG 3.35Å; L482-Q486 PolarHBondContact O-N 3.4Å
483R92.5Very high81.5Confident79 Ų7948.2 Ų48.230%0.29825%0.246SC..Hα-helixtrans-68.7-36.7178.1-68.5176.5-169.9-71.7-1.6112D479 V480 E481 Q486 A487 V579 N582 L585D479-R483 WeakPolarHBondContact O-CB 3.45Å; D479-R483 WeakPolarHBondContact O-CG 3.43Å; D479-R483 PolarHBondContact O-N 3.28Å; D479-R483 VanDerWaalsContact O-N 3.1Å; V480-R483 PolarHBondContact O-N 3.18Å; E481-R483 VanDerWaalsContact C-N 3.35Å; E481-R483 PolarHBondContact O-N 2.97Å; R483-Q486 PolarHBondContact O-N 2.85Å; R483-A487 WeakPolarHBondContact O-CB 3.25Å; R483-A487 PolarHBondContact O-N 3.07Å; R483-V579 HydrophobicContact CB-CG1 4.05Å; R483-V579 WeakPolarHBondContact O-CG1 3.13Å; R483-N582 VanDerWaalsContact CZ-ND2 3.28Å; R483-N582 PolarHBondContact NH1-ND2 2.76Å; R483-N582 VanDerWaalsContact NH1-ND2 3.19Å; R483-L585 HydrophobicContact CB-CD1 3.99Å; R483-L585 HydrophobicContact CB-CD2 4.08Å; R483-L585 HydrophobicContact CB-CG 4.25Å
484M92.1Very high84.2Confident27 Ų2737.3 Ų37.313%0.13321%0.205CC..Hα-helixtrans-62.3-44.8173-76.3-64.5-64.700111.3V480 E481 A487 F488 L585 V590 L593V480-M484 HydrophobicContact CG1-CG 4.46Å; V480-M484 WeakPolarHBondContact O-CB 3.44Å; V480-M484 VanDerWaalsContact O-CG 3.23Å; V480-M484 WeakPolarHBondContact O-CG 3.27Å; V480-M484 PolarHBondContact O-N 3.16Å; E481-M484 PolarHBondContact O-N 2.53Å; M484-A487 PolarHBondContact O-N 3.32Å; M484-F488 HydrophobicContact CE-CE1 4.07Å; M484-F488 HydrophobicContact CE-CE2 4.38Å; M484-F488 HydrophobicContact CE-CZ 3.71Å; M484-F488 WeakPolarHBondContact O-CG 3.47Å; M484-F488 PolarHBondContact O-N 3.13Å; M484-L585 HydrophobicContact CG-CD2 3.9Å; M484-L585 HydrophobicContact SD-CD2 4.16Å; M484-V590 HydrophobicContact SD-CG2 4.01Å; M484-L593 HydrophobicContact CE-CD1 3.79Å
485M92.7Very high87.2Confident7 Ų735.2 Ų35.23%0.03418%0.183CC..Hα-helixtrans-61.7-44.3175-71.7-54.9109.100111.8L433 M440 E481 L482 A487 F488 I489L433-M485 HydrophobicContact CD2-SD 3.87Å; M440-M485 HydrophobicContact SD-CG 3.95Å; E481-M485 WeakPolarHBondContact O-CG 3.32Å; E481-M485 PolarHBondContact O-N 3.03Å; L482-M485 PolarHBondContact O-N 3.26Å; M485-A487 VanDerWaalsContact C-N 3.34Å; M485-A487 PolarHBondContact O-N 2.71Å; M485-F488 HydrophobicContact CE-CD2 3.64Å; M485-F488 HydrophobicContact CE-CE2 3.79Å; M485-F488 PolarHBondContact O-N 3.42Å; M485-F488 HydrophobicContact SD-CD2 4.36Å; M485-I489 WeakPolarHBondContact O-CG1 3.46Å; M485-I489 PolarHBondContact O-N 3.44Å
486Q95Very high89.6Confident47 Ų4730.8 Ų30.822%0.2215%0.154CC..Hα-helixtrans-58-45.8174.7-74.2172.6-11.300112L437 L482 R483 F488 I489 F490 V579L437-Q486 HydrophobicContact CD1-CG 3.88Å; L437-Q486 HydrophobicContact CD2-CG 3.98Å; L482-Q486 VanDerWaalsContact O-CG 3.32Å; L482-Q486 WeakPolarHBondContact O-CG 3.35Å; L482-Q486 PolarHBondContact O-N 3.4Å; R483-Q486 PolarHBondContact O-N 2.85Å; Q486-F488 PolarHBondContact O-N 3Å; Q486-I489 PolarHBondContact O-N 3.05Å; Q486-F490 WeakPolarHBondContact O-CD2 3.4Å; Q486-F490 PolarHBondContact O-N 3Å; Q486-V579 HydrophobicContact CB-CG1 4.21Å
487A95.6Very high91.1Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-59.8-46.3176.700000111.4R483 M484 M485 I489 F490 I491 V579 L580R483-A487 WeakPolarHBondContact O-CB 3.25Å; R483-A487 PolarHBondContact O-N 3.07Å; M484-A487 PolarHBondContact O-N 3.32Å; M485-A487 VanDerWaalsContact C-N 3.34Å; M485-A487 PolarHBondContact O-N 2.71Å; A487-I489 PolarHBondContact O-N 2.86Å; A487-F490 PolarHBondContact O-N 3.42Å; A487-I491 WeakPolarHBondContact O-CG1 3.38Å; A487-I491 PolarHBondContact O-N 3.25Å; A487-V579 HydrophobicContact CB-CG1 4.11Å; A487-L580 HydrophobicContact CB-CD1 4.46Å; A487-L580 HydrophobicContact CB-CD2 3.65Å; A487-L580 HydrophobicContact CB-CG 3.78Å
488F95.8Very high92.1Very high17 Ų1725.6 Ų25.68%0.07512%0.118CC..Hα-helixtrans-59.9-45.1176.8-68.9-23.5000112.7L433 M484 M485 Q486 F490 I491 F492 L593 F629L433-F488 HydrophobicContact CD1-CB 3.82Å; L433-F488 HydrophobicContact CD2-CB 4.19Å; L433-F488 HydrophobicContact CD2-CD2 4.48Å; M484-F488 HydrophobicContact CE-CE1 4.07Å; M484-F488 HydrophobicContact CE-CE2 4.38Å; M484-F488 HydrophobicContact CE-CZ 3.71Å; M484-F488 WeakPolarHBondContact O-CG 3.47Å; M484-F488 PolarHBondContact O-N 3.13Å; M485-F488 HydrophobicContact CE-CD2 3.64Å; M485-F488 HydrophobicContact CE-CE2 3.79Å; M485-F488 PolarHBondContact O-N 3.42Å; M485-F488 HydrophobicContact SD-CD2 4.36Å; Q486-F488 PolarHBondContact O-N 3Å; F488-F490 VanDerWaalsContact C-N 3.28Å; F488-F490 PolarHBondContact O-N 2.92Å; F488-I491 PolarHBondContact O-N 3.42Å; F488-F492 HydrophobicContact CB-CD2 4.19Å; F488-F492 HydrophobicContact CB-CE2 4.31Å; F488-F492 VanDerWaalsContact O-CD2 3.25Å; F488-F492 WeakPolarHBondContact O-CD2 3.48Å; F488-F492 PolarHBondContact O-N 3.23Å; F488-L593 HydrophobicContact CE1-CD1 3.72Å; F488-L593 HydrophobicContact CE1-CD2 4.35Å; F488-L593 HydrophobicContact CZ-CD1 4.41Å; F488-F629 HydrophobicContact CD1-CE1 4.13Å; F488-F629 AromaticContact CD1-CZ 3.99Å; F488-F629 HydrophobicContact CD1-CZ 3.99Å; F488-F629 HydrophobicContact CE1-CE1 4.12Å; F488-F629 HydrophobicContact CE1-CE2 4.46Å; F488-F629 AromaticContact CE1-CZ 3.54Å; F488-F629 HydrophobicContact CE1-CZ 3.54Å; F488-F629 HydrophobicContact CZ-CZ 4.23Å
489I96.8Very high92.8Very high30 Ų3023.3 Ų23.315%0.15411%0.109CC..Hα-helixtrans-52.5-50.9176.5-70.1166.2000109.8L433 L437 M485 Q486 A487 R493L433-I489 HydrophobicContact CB-CD1 4.38Å; L433-I489 HydrophobicContact CB-CG1 3.53Å; L433-I489 HydrophobicContact CD1-CG1 4.46Å; L437-I489 HydrophobicContact CB-CD1 3.9Å; L437-I489 HydrophobicContact CD2-CD1 3.63Å; L437-I489 HydrophobicContact CG-CD1 4.36Å; M485-I489 WeakPolarHBondContact O-CG1 3.46Å; M485-I489 PolarHBondContact O-N 3.44Å; Q486-I489 PolarHBondContact O-N 3.05Å; A487-I489 PolarHBondContact O-N 2.86Å; I489-R493 WeakPolarHBondContact O-CB 3.49Å; I489-R493 PolarHBondContact O-N 2.69Å
490F97.6Very high93Very high64 Ų6420.7 Ų20.728%0.28110%0.095SC..Hα-helixtrans-69.5-37.4-177-71.1-59.4000113.5Q486 A487 F488 A494 C572 T575 A576Q486-F490 WeakPolarHBondContact O-CD2 3.4Å; Q486-F490 PolarHBondContact O-N 3Å; A487-F490 PolarHBondContact O-N 3.42Å; F488-F490 VanDerWaalsContact C-N 3.28Å; F488-F490 PolarHBondContact O-N 2.92Å; F490-A494 PolarHBondContact O-N 3.41Å; F490-A494 VanDerWaalsContact O-N 3.09Å; F490-C572 WeakPolarHBondContact CB-O 3.44Å; F490-C572 HydrophobicContact CD1-CB 4.46Å; F490-C572 WeakPolarHBondContact O-CB 3.23Å; F490-T575 HydrophobicContact CD1-CG2 4.21Å; F490-T575 HydrophobicContact CD2-CG2 3.71Å; F490-T575 HydrophobicContact CE1-CG2 3.96Å; F490-T575 HydrophobicContact CE2-CG2 3.44Å; F490-T575 VanDerWaalsContact CE2-CG2 3.44Å; F490-T575 HydrophobicContact CG-CG2 4.11Å; F490-T575 HydrophobicContact CZ-CG2 3.58Å; F490-A576 HydrophobicContact CB-CB 3.77Å
491I96.3Very high92.9Very high0 Ų018.1 Ų18.10%08%0.08CC..Hα-helixtrans-62.9-55.7176.4-67.8165.9000110.3A487 F488 R493 A494 Y495 A576 L580 L593 C597 F629A487-I491 WeakPolarHBondContact O-CG1 3.38Å; A487-I491 PolarHBondContact O-N 3.25Å; F488-I491 PolarHBondContact O-N 3.42Å; I491-R493 VanDerWaalsContact C-N 3.26Å; I491-R493 PolarHBondContact O-N 3.42Å; I491-A494 WeakPolarHBondContact O-CB 3.46Å; I491-A494 PolarHBondContact O-N 3.21Å; I491-A494 VanDerWaalsContact O-N 3.14Å; I491-Y495 HydrophobicContact CG2-CD2 4.19Å; I491-Y495 HydrophobicContact CG2-CE1 4.28Å; I491-Y495 HydrophobicContact CG2-CE2 3.55Å; I491-Y495 PolarHBondContact O-N 3Å; I491-A576 HydrophobicContact CG1-CB 3.82Å; I491-L580 HydrophobicContact CD1-CD1 4.37Å; I491-L593 HydrophobicContact CD1-CD2 4.46Å; I491-C597 WeakPolarHBondContact CD1-SG 3.38Å; I491-C597 WeakPolarHBondContact CG1-SG 3.42Å; I491-F629 HydrophobicContact CG2-CD1 4.1Å; I491-F629 HydrophobicContact CG2-CE1 4.37Å
492F96.6Very high92.8Very high0 Ų016.9 Ų16.90%07%0.074CC..Hα-helixtrans-68.8-27.8-178-72.1-70.9000111.8F408 Y425 L428 T429 L433 F488 A494 Y495 Y496 V628 F629F408-F492 AromaticContact CE1-CE2 3.84Å; F408-F492 HydrophobicContact CE1-CE2 3.84Å; F408-F492 AromaticContact CE1-CZ 3.64Å; F408-F492 HydrophobicContact CE1-CZ 3.64Å; F408-F492 AromaticContact CZ-CE2 3.84Å; F408-F492 HydrophobicContact CZ-CE2 3.84Å; F408-F492 AromaticContact CZ-CZ 3.93Å; F408-F492 HydrophobicContact CZ-CZ 3.93Å; Y425-F492 AromaticContact CD1-CD1 3.81Å; Y425-F492 HydrophobicContact CD1-CD1 3.81Å; Y425-F492 HydrophobicContact CD1-CE1 4.37Å; Y425-F492 HydrophobicContact CE1-CD1 4.03Å; Y425-F492 HydrophobicContact CE1-CE1 4.21Å; L428-F492 HydrophobicContact CD2-CB 4.33Å; L428-F492 HydrophobicContact CD2-CD1 3.54Å; L428-F492 HydrophobicContact CD2-CD2 3.71Å; L428-F492 HydrophobicContact CD2-CE1 3.61Å; L428-F492 HydrophobicContact CD2-CE2 3.78Å; L428-F492 HydrophobicContact CD2-CG 3.6Å; L428-F492 HydrophobicContact CD2-CZ 3.73Å; L428-F492 HydrophobicContact CG-CD2 4.37Å; L428-F492 HydrophobicContact CG-CG 4.37Å; T429-F492 HydrophobicContact CG2-CB 3.26Å; L433-F492 HydrophobicContact CD1-CD2 3.76Å; L433-F492 HydrophobicContact CD1-CE2 4.45Å; F488-F492 HydrophobicContact CB-CD2 4.19Å; F488-F492 HydrophobicContact CB-CE2 4.31Å; F488-F492 VanDerWaalsContact O-CD2 3.25Å; F488-F492 WeakPolarHBondContact O-CD2 3.48Å; F488-F492 PolarHBondContact O-N 3.23Å; F492-A494 VanDerWaalsContact C-N 3.32Å; F492-Y495 AromaticContact CD1-CD2 3.72Å; F492-Y495 HydrophobicContact CD1-CD2 3.72Å; F492-Y495 HydrophobicContact CD1-CE2 4.29Å; F492-Y495 HydrophobicContact CE1-CD2 4.13Å; F492-Y495 HydrophobicContact CE1-CE2 4.35Å; F492-Y495 HydrophobicContact CG-CD2 4.5Å; F492-Y495 PolarHBondContact O-N 2.89Å; F492-Y496 WeakPolarHBondContact O-CB 3.03Å; F492-Y496 PolarHBondContact O-N 3.27Å; F492-V628 HydrophobicContact CZ-CG1 4.06Å; F492-F629 HydrophobicContact CE1-CD1 4.45Å; F492-F629 HydrophobicContact CE1-CE1 4.3Å; F492-F629 HydrophobicContact CE2-CD1 4.44Å; F492-F629 AromaticContact CE2-CE1 3.57Å; F492-F629 HydrophobicContact CE2-CE1 3.57Å; F492-F629 HydrophobicContact CE2-CZ 4.2Å; F492-F629 AromaticContact CZ-CD1 3.96Å; F492-F629 HydrophobicContact CZ-CD1 3.96Å; F492-F629 AromaticContact CZ-CE1 3.41Å; F492-F629 HydrophobicContact CZ-CE1 3.41Å; F492-F629 VanDerWaalsContact CZ-CE1 3.41Å; F492-F629 HydrophobicContact CZ-CZ 4.07Å
493R95.6Very high92.3Very high54 Ų5418.1 Ų18.120%0.2048%0.077CC..Hα-helixtrans-65.6-38.4173.4-174.968.4179.4171.24.8111.1T429 D430 I489 I491 Y496 Q497T429-R493 HydrophobicContact CG2-CB 4.28Å; T429-R493 VanDerWaalsContact CG2-N 3.28Å; D430-R493 VanDerWaalsContact CG-NH1 3.28Å; D430-R493 IonicContact OD1-CZ 3.55Å; D430-R493 IonicContact OD1-NH1 2.78Å; D430-R493 PolarHBondContact OD1-NH1 3.1Å; D430-R493 IonicContact OD2-NH1 2.63Å; D430-R493 PolarHBondContact OD2-NH1 3.44Å; I489-R493 WeakPolarHBondContact O-CB 3.49Å; I489-R493 PolarHBondContact O-N 2.69Å; I491-R493 VanDerWaalsContact C-N 3.26Å; I491-R493 PolarHBondContact O-N 3.42Å; R493-Y496 PolarHBondContact O-N 3.11Å; R493-Q497 WeakPolarHBondContact O-CG 3.26Å; R493-Q497 PolarHBondContact O-N 3.22Å
494A95.2Very high91.6Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-65.5-41.817200000111.4F490 I491 F492 Y496 Q497 I498 A569 C572 L573F490-A494 PolarHBondContact O-N 3.41Å; F490-A494 VanDerWaalsContact O-N 3.09Å; I491-A494 WeakPolarHBondContact O-CB 3.46Å; I491-A494 PolarHBondContact O-N 3.21Å; I491-A494 VanDerWaalsContact O-N 3.14Å; F492-A494 VanDerWaalsContact C-N 3.32Å; A494-Y496 VanDerWaalsContact C-N 3.35Å; A494-Y496 PolarHBondContact O-N 3.43Å; A494-Q497 PolarHBondContact O-N 2.98Å; A494-I498 VanDerWaalsContact O-CG1 3.29Å; A494-I498 WeakPolarHBondContact O-CG1 3.37Å; A494-I498 PolarHBondContact O-N 3.35Å; A494-A569 HydrophobicContact CB-CB 4.2Å; A494-C572 HydrophobicContact CB-CB 4.04Å; A494-L573 HydrophobicContact CB-CD1 4.07Å; A494-L573 HydrophobicContact CB-CD2 3.79Å; A494-L573 HydrophobicContact CB-CG 3.54Å
495Y95.1Very high90.7Very high0 Ų019.7 Ų19.70%09%0.09CC..Hα-helixtrans-61.6-42174.3-62.8-19.1000112.4Y425 I491 F492 Q497 I498 S499 I596 N600 F619 F629 P630Y425-Y495 HydrophobicContact CE1-CD2 4.36Å; I491-Y495 HydrophobicContact CG2-CD2 4.19Å; I491-Y495 HydrophobicContact CG2-CE1 4.28Å; I491-Y495 HydrophobicContact CG2-CE2 3.55Å; I491-Y495 PolarHBondContact O-N 3Å; F492-Y495 AromaticContact CD1-CD2 3.72Å; F492-Y495 HydrophobicContact CD1-CD2 3.72Å; F492-Y495 HydrophobicContact CD1-CE2 4.29Å; F492-Y495 HydrophobicContact CE1-CD2 4.13Å; F492-Y495 HydrophobicContact CE1-CE2 4.35Å; F492-Y495 HydrophobicContact CG-CD2 4.5Å; F492-Y495 PolarHBondContact O-N 2.89Å; Y495-Q497 PolarHBondContact O-N 2.98Å; Y495-I498 PolarHBondContact O-N 3.03Å; Y495-S499 WeakPolarHBondContact O-CB 3.47Å; Y495-S499 PolarHBondContact O-N 3.34Å; Y495-S499 PolarHBondContact O-OG 3.48Å; Y495-I596 WeakPolarHBondContact OH-CG2 3.45Å; Y495-N600 VanDerWaalsContact CE1-ND2 3.35Å; Y495-N600 WeakPolarHBondContact CE1-ND2 3.47Å; Y495-N600 PolarHBondContact OH-ND2 3.48Å; Y495-F619 HydrophobicContact CD1-CE1 4.02Å; Y495-F619 HydrophobicContact CG-CE1 4.44Å; Y495-F629 HydrophobicContact CE2-CD1 4.25Å; Y495-P630 HydrophobicContact CD2-CG 4.4Å; Y495-P630 HydrophobicContact CE2-CG 4.17Å; Y495-P630 PolarHBondContact OH-O 2.94Å; Y495-P630 VanDerWaalsContact OH-O 3.12Å
496Y93.7Very high89.7Confident0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-56.8-50.9173.5174.5-131.3000111.1P422 W426 F492 R493 A494 I498 S499 L500 F546 S549P422-Y496 VanDerWaalsContact O-CD2 3.28Å; P422-Y496 WeakPolarHBondContact O-CD2 3.27Å; W426-Y496 HydrophobicContact CB-CD2 3.88Å; W426-Y496 HydrophobicContact CB-CE1 4.45Å; W426-Y496 HydrophobicContact CB-CE2 3.64Å; W426-Y496 HydrophobicContact CB-CG 4.41Å; W426-Y496 AromaticContact CD1-CZ 3.93Å; W426-Y496 HydrophobicContact CG-CE2 4.41Å; F492-Y496 WeakPolarHBondContact O-CB 3.03Å; F492-Y496 PolarHBondContact O-N 3.27Å; R493-Y496 PolarHBondContact O-N 3.11Å; A494-Y496 VanDerWaalsContact C-N 3.35Å; A494-Y496 PolarHBondContact O-N 3.43Å; Y496-I498 PolarHBondContact O-N 2.98Å; Y496-S499 WeakPolarHBondContact CA-OG 3.34Å; Y496-S499 PolarHBondContact O-N 3.44Å; Y496-S499 PolarHBondContact O-OG 3.01Å; Y496-L500 HydrophobicContact CD2-CD1 4.35Å; Y496-L500 HydrophobicContact CD2-CG 4.12Å; Y496-L500 HydrophobicContact CE1-CD1 4.05Å; Y496-L500 HydrophobicContact CE2-CD1 3.71Å; Y496-L500 HydrophobicContact CE2-CD2 3.8Å; Y496-L500 HydrophobicContact CE2-CG 3.68Å; Y496-L500 WeakPolarHBondContact O-CG 3.44Å; Y496-L500 PolarHBondContact O-N 3.34Å; Y496-F546 HydrophobicContact CE2-CE2 4.12Å; Y496-S549 PolarHBondContact OH-OG 3.37Å
497Q91.4Very high88.8Confident6 Ų623.2 Ų23.23%0.02812%0.123CC..Hα-helixtrans-61.5-43.5179.6-72.9165.2-15.300113.1R493 A494 Y495 L500 C501 V565 M568 A569R493-Q497 WeakPolarHBondContact O-CG 3.26Å; R493-Q497 PolarHBondContact O-N 3.22Å; A494-Q497 PolarHBondContact O-N 2.98Å; Y495-Q497 PolarHBondContact O-N 2.98Å; Q497-L500 PolarHBondContact O-N 3.03Å; Q497-C501 PolarHBondContact O-N 2.81Å; Q497-C501 VanDerWaalsContact O-N 3.11Å; Q497-C501 PolarHBondContact O-SG 3.48Å; Q497-V565 HydrophobicContact CB-CG1 3.93Å; Q497-V565 HydrophobicContact CG-CG1 4.36Å; Q497-M568 PolarHBondContact OE1-O 3.41Å; Q497-A569 HydrophobicContact CB-CB 4.08Å
498I91Very high87.5Confident0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-67.3-38.6176.8-64.6-67.1000110.9A494 Y495 Y496 L500 C501 L502 V566 A569 L616 F619 I632A494-I498 VanDerWaalsContact O-CG1 3.29Å; A494-I498 WeakPolarHBondContact O-CG1 3.37Å; A494-I498 PolarHBondContact O-N 3.35Å; Y495-I498 PolarHBondContact O-N 3.03Å; Y496-I498 PolarHBondContact O-N 2.98Å; I498-L500 VanDerWaalsContact C-N 3.32Å; I498-L500 PolarHBondContact O-N 2.93Å; I498-C501 WeakPolarHBondContact O-CA 3.04Å; I498-C501 WeakPolarHBondContact O-CB 3.42Å; I498-C501 PolarHBondContact O-N 2.68Å; I498-C501 VanDerWaalsContact O-N 3.12Å; I498-L502 WeakPolarHBondContact O-CG 3.15Å; I498-L502 PolarHBondContact O-N 2.88Å; I498-V566 HydrophobicContact CD1-CG1 4.49Å; I498-V566 HydrophobicContact CD1-CG2 4.43Å; I498-A569 HydrophobicContact CD1-CB 3.93Å; I498-A569 HydrophobicContact CG1-CB 3.95Å; I498-L616 HydrophobicContact CG2-CD1 4.19Å; I498-L616 HydrophobicContact CG2-CD2 4.37Å; I498-F619 HydrophobicContact CB-CE1 4.44Å; I498-F619 HydrophobicContact CB-CZ 4.01Å; I498-F619 HydrophobicContact CG2-CE1 4.01Å; I498-F619 HydrophobicContact CG2-CZ 3.75Å; I498-I632 HydrophobicContact CD1-CD1 4.38Å; I498-I632 HydrophobicContact CG1-CD1 3.89Å; I498-I632 HydrophobicContact CG2-CD1 4.44Å; I498-I632 HydrophobicContact CG2-CG1 4.4Å; I498-I632 HydrophobicContact CG2-CG2 4.41Å
499S90.1Very high85.8Confident0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-64.8-34.5176.776.10000112.6P422 Y495 Y496 L502 R503P422-S499 VanDerWaalsContact CA-OG 3.26Å; P422-S499 WeakPolarHBondContact CA-OG 3.14Å; P422-S499 WeakPolarHBondContact CB-OG 3.38Å; Y495-S499 WeakPolarHBondContact O-CB 3.47Å; Y495-S499 PolarHBondContact O-N 3.34Å; Y495-S499 PolarHBondContact O-OG 3.48Å; Y496-S499 WeakPolarHBondContact CA-OG 3.34Å; Y496-S499 PolarHBondContact O-N 3.44Å; Y496-S499 PolarHBondContact O-OG 3.01Å; S499-L502 PolarHBondContact O-N 3.28Å; S499-R503 PolarHBondContact O-N 2.94Å
500L86Confident84Confident0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-67.5-38.6171.3-69.2-178.9000111.8P422 Y496 Q497 I498 R503 C504 L553P422-L500 HydrophobicContact CB-CD2 4.26Å; Y496-L500 HydrophobicContact CD2-CD1 4.35Å; Y496-L500 HydrophobicContact CD2-CG 4.12Å; Y496-L500 HydrophobicContact CE1-CD1 4.05Å; Y496-L500 HydrophobicContact CE2-CD1 3.71Å; Y496-L500 HydrophobicContact CE2-CD2 3.8Å; Y496-L500 HydrophobicContact CE2-CG 3.68Å; Y496-L500 WeakPolarHBondContact O-CG 3.44Å; Y496-L500 PolarHBondContact O-N 3.34Å; Q497-L500 PolarHBondContact O-N 3.03Å; I498-L500 VanDerWaalsContact C-N 3.32Å; I498-L500 PolarHBondContact O-N 2.93Å; L500-R503 WeakPolarHBondContact O-CB 3.45Å; L500-R503 PolarHBondContact O-N 3.32Å; L500-C504 PolarHBondContact O-N 2.9Å; L500-C504 PolarHBondContact O-SG 2.92Å; L500-L553 HydrophobicContact CD1-CB 3.87Å; L500-L553 HydrophobicContact CD1-CD2 3.78Å; L500-L553 HydrophobicContact CD1-CG 4.4Å
501C84.7Confident81.9Confident0 Ų031.5 Ų31.50%017%0.172CC..Hα-helixtrans-60.1-48172.3-60.40000110.2Q497 I498 R503 C504 Y505 L562 V565 L616Q497-C501 PolarHBondContact O-N 2.81Å; Q497-C501 VanDerWaalsContact O-N 3.11Å; Q497-C501 PolarHBondContact O-SG 3.48Å; I498-C501 WeakPolarHBondContact O-CA 3.04Å; I498-C501 WeakPolarHBondContact O-CB 3.42Å; I498-C501 PolarHBondContact O-N 2.68Å; I498-C501 VanDerWaalsContact O-N 3.12Å; C501-R503 VanDerWaalsContact C-N 3.25Å; C501-R503 PolarHBondContact O-N 3.33Å; C501-C504 PolarHBondContact O-N 3.06Å; C501-Y505 VanDerWaalsContact O-CD2 3.22Å; C501-Y505 WeakPolarHBondContact O-CD2 3.46Å; C501-Y505 PolarHBondContact O-N 3.29Å; C501-Y505 VanDerWaalsContact O-N 3.08Å; C501-L562 HydrophobicContact CB-CD1 3.75Å; C501-L562 VanDerWaalsContact SG-CD1 3.57Å; C501-V565 VanDerWaalsContact SG-CG1 3.55Å; C501-L616 HydrophobicContact CB-CD2 4.07Å
502L85.2Confident79.7Confident1 Ų138.1 Ų38.11%0.00520%0.201CC..Hα-helixtrans-55.9-41.3175.6-68.1171.3000112.1I498 S499 G506 L507 L508 L616 F619I498-L502 WeakPolarHBondContact O-CG 3.15Å; I498-L502 PolarHBondContact O-N 2.88Å; S499-L502 PolarHBondContact O-N 3.28Å; L502-G506 PolarHBondContact O-N 3.41Å; L502-L507 HydrophobicContact CB-CB 4.48Å; L502-L507 HydrophobicContact CD2-CB 3.9Å; L502-L507 HydrophobicContact CD2-CD1 3.99Å; L502-L507 PolarHBondContact O-N 3.23Å; L502-L508 HydrophobicContact CB-CD1 4.35Å; L502-L508 HydrophobicContact CB-CD2 3.81Å; L502-L508 HydrophobicContact CB-CG 3.7Å; L502-L508 HydrophobicContact CD1-CD2 4.02Å; L502-L508 PolarHBondContact O-N 2.96Å; L502-L616 HydrophobicContact CD2-CD1 4.14Å; L502-L616 HydrophobicContact CD2-CD2 3.46Å; L502-L616 VanDerWaalsContact CD2-CD2 3.46Å; L502-L616 HydrophobicContact CD2-CG 3.46Å; L502-L616 VanDerWaalsContact CD2-CG 3.46Å; L502-L616 HydrophobicContact CG-CD2 3.79Å; L502-L616 HydrophobicContact CG-CG 4.27Å; L502-F619 HydrophobicContact CD1-CD2 3.76Å; L502-F619 HydrophobicContact CD1-CE2 3.67Å; L502-F619 HydrophobicContact CD1-CZ 4.43Å
503R79.4Confident77.4Confident48 Ų4840.7 Ų40.718%0.18122%0.222CC..Hα-helixtrans-63.4-46.8176.9-171.3178.6177.2-174.1-1.3112.3S499 L500 C501 Y505 G506 L508S499-R503 PolarHBondContact O-N 2.94Å; L500-R503 WeakPolarHBondContact O-CB 3.45Å; L500-R503 PolarHBondContact O-N 3.32Å; C501-R503 VanDerWaalsContact C-N 3.25Å; C501-R503 PolarHBondContact O-N 3.33Å; R503-Y505 VanDerWaalsContact C-N 3.29Å; R503-Y505 PolarHBondContact O-N 3.01Å; R503-G506 PolarHBondContact O-N 2.93Å; R503-G506 VanDerWaalsContact O-N 3.16Å; R503-L508 HydrophobicContact CB-CD1 3.83Å; R503-L508 HydrophobicContact CG-CD1 4.47Å
504C76.9Confident75.3Confident56 Ų5639.2 Ų39.238%0.37822%0.219SC..Hα-helixtrans-66.9-30.3-177.8-62.70000112.7L500 C501 G506 V557L500-C504 PolarHBondContact O-N 2.9Å; L500-C504 PolarHBondContact O-SG 2.92Å; C501-C504 PolarHBondContact O-N 3.06Å; C504-G506 VanDerWaalsContact C-N 3.3Å; C504-V557 HydrophobicContact CB-CG1 3.82Å
505Y74.7Confident73.2Confident84 Ų8443.7 Ų43.733%0.32924%0.239SC..THydrogen-bonded Turntrans-84.9-0.1176.5-80.2-98.6000113.6C501 R503 L507 H559 L562C501-Y505 VanDerWaalsContact O-CD2 3.22Å; C501-Y505 WeakPolarHBondContact O-CD2 3.46Å; C501-Y505 PolarHBondContact O-N 3.29Å; C501-Y505 VanDerWaalsContact O-N 3.08Å; R503-Y505 VanDerWaalsContact C-N 3.29Å; R503-Y505 PolarHBondContact O-N 3.01Å; Y505-L507 PolarHBondContact O-N 3.5Å; Y505-H559 AromaticContact CE1-CE1 3.67Å; Y505-H559 AromaticContact CE1-ND1 3.54Å; Y505-H559 AromaticContact CZ-ND1 3.61Å; Y505-H559 PolarHBondContact OH-ND1 2.99Å; Y505-L562 HydrophobicContact CD2-CD1 4.48Å; Y505-L562 HydrophobicContact CE2-CB 4.2Å; Y505-L562 HydrophobicContact CE2-CD1 3.65Å; Y505-L562 HydrophobicContact CE2-CD2 3.97Å; Y505-L562 HydrophobicContact CE2-CG 4.11Å; Y505-L562 WeakPolarHBondContact OH-CB 3.29Å; Y505-L562 VanDerWaalsContact OH-CD2 3.23Å; Y505-L562 WeakPolarHBondContact OH-CD2 2.98Å
506G71.5Confident71.1Confident54 Ų5450.7 Ų50.756%0.55727%0.272SS*.THydrogen-bonded Turntrans65.219.6-17500000113.9L502 R503 C504L502-G506 PolarHBondContact O-N 3.41Å; R503-G506 PolarHBondContact O-N 2.93Å; R503-G506 VanDerWaalsContact O-N 3.16Å; C504-G506 VanDerWaalsContact C-N 3.3Å
507L74.9Confident69Low73 Ų7357 Ų5738%0.38230%0.301SS..  trans-85-18.2-179.5-67.8170000112.9L502 Y505 P509 L616L502-L507 HydrophobicContact CB-CB 4.48Å; L502-L507 HydrophobicContact CD2-CB 3.9Å; L502-L507 HydrophobicContact CD2-CD1 3.99Å; L502-L507 PolarHBondContact O-N 3.23Å; Y505-L507 PolarHBondContact O-N 3.5Å; L507-P509 WeakPolarHBondContact O-CD 3.29Å; L507-L616 HydrophobicContact CD1-CB 4.33Å; L507-L616 HydrophobicContact CD1-CG 4.45Å; L507-L616 WeakPolarHBondContact CD1-O 3.36Å
508L68.7Low67.5Low10 Ų1061.5 Ų61.55%0.05233%0.325CS..SBendtrans-72.4123.7162.2-64.6178.6000106.9P422 L502 R503 Q510P422-L508 HydrophobicContact CG-CD1 3.72Å; L502-L508 HydrophobicContact CB-CD1 4.35Å; L502-L508 HydrophobicContact CB-CD2 3.81Å; L502-L508 HydrophobicContact CB-CG 3.7Å; L502-L508 HydrophobicContact CD1-CD2 4.02Å; L502-L508 PolarHBondContact O-N 2.96Å; R503-L508 HydrophobicContact CB-CD1 3.83Å; R503-L508 HydrophobicContact CG-CD1 4.47Å; L508-Q510 PolarHBondContact O-N 3.01Å
509P61Low65.9Low90 Ų9069.6 Ų69.658%0.58436%0.363SS*.  trans-54.2103.8171.8-21.231.5000108.4L507 D511L507-P509 WeakPolarHBondContact O-CD 3.29Å; P509-D511 PolarHBondContact O-N 3.49Å
510Q59.1Low64.4Low107 Ų10771.6 Ų71.650%0.538%0.379SS..  trans-80.3108.3163.3-73.5-178-1.100104.6L508 K512L508-Q510 PolarHBondContact O-N 3.01Å; Q510-K512 PolarHBondContact O-N 2.86Å
511D52.3Low63.2Low78 Ų7872.5 Ų72.542%0.41738%0.383SS..  trans-6791.2160.4178.514.8000106.9P509 A513 T514 F515P509-D511 PolarHBondContact O-N 3.49Å; D511-A513 PolarHBondContact O-N 3.48Å; D511-A513 WeakPolarHBondContact OD1-CB 3.32Å; D511-A513 PolarHBondContact OD1-N 3.29Å; D511-T514 VanDerWaalsContact CB-OG1 3.28Å; D511-T514 WeakPolarHBondContact CB-OG1 3.3Å; D511-T514 PolarHBondContact O-N 3.41Å; D511-T514 VanDerWaalsContact O-N 3.08Å; D511-T514 PolarHBondContact O-OG1 3.4Å; D511-T514 WeakPolarHBondContact OD2-CB 3.42Å; D511-T514 WeakPolarHBondContact OD2-CG2 3.45Å; D511-T514 PolarHBondContact OD2-OG1 2.88Å; D511-F515 PolarHBondContact O-N 2.97Å
512K50.2Low62.2Low140 Ų14074.7 Ų74.761%0.60940%0.398SS*.Hα-helixtrans-53.7-35.5179.6-76.1-176.3176.9-179.90110.7Q510 T514 F515 E516Q510-K512 PolarHBondContact O-N 2.86Å; K512-T514 VanDerWaalsContact C-N 3.34Å; K512-T514 PolarHBondContact O-N 3.49Å; K512-F515 PolarHBondContact O-N 3.28Å; K512-E516 VanDerWaalsContact O-CB 3.26Å; K512-E516 WeakPolarHBondContact O-CB 3.45Å; K512-E516 WeakPolarHBondContact O-CG 3.49Å; K512-E516 PolarHBondContact O-N 3.49Å
513A49.5Very low61.2Low53 Ų5376.9 Ų76.944%0.43842%0.417SS..Hα-helixtrans-64.3-38.1179.900000112.1D511 H517D511-A513 PolarHBondContact O-N 3.48Å; D511-A513 WeakPolarHBondContact OD1-CB 3.32Å; D511-A513 PolarHBondContact OD1-N 3.29Å; A513-H517 PolarHBondContact O-CD2 3.41Å; A513-H517 PolarHBondContact O-N 3.2Å
514T51.7Low60.7Low24 Ų2479.3 Ų79.315%0.14743%0.426CS..Hα-helixtrans-84.3-21.6175.943.30000114.6D511 K512 H517 F521 R524D511-T514 VanDerWaalsContact CB-OG1 3.28Å; D511-T514 WeakPolarHBondContact CB-OG1 3.3Å; D511-T514 PolarHBondContact O-N 3.41Å; D511-T514 VanDerWaalsContact O-N 3.08Å; D511-T514 PolarHBondContact O-OG1 3.4Å; D511-T514 WeakPolarHBondContact OD2-CB 3.42Å; D511-T514 WeakPolarHBondContact OD2-CG2 3.45Å; D511-T514 PolarHBondContact OD2-OG1 2.88Å; K512-T514 VanDerWaalsContact C-N 3.34Å; K512-T514 PolarHBondContact O-N 3.49Å; T514-H517 CarbonylContact O-C 3.47Å; T514-F521 VanDerWaalsContact O-CB 3.26Å; T514-F521 WeakPolarHBondContact O-CB 3.34Å; T514-R524 PolarHBondContact OG1-NH2 3.29Å
515F49.8Very low60.3Low93 Ų9377 Ų7741%0.40841%0.41SS..Hα-helixtrans-77.1-36.6170.9-157.3-94.1000112.3D511 K512 H517 N518 F521D511-F515 PolarHBondContact O-N 2.97Å; K512-F515 PolarHBondContact O-N 3.28Å; F515-H517 VanDerWaalsContact C-N 3.31Å; F515-H517 PolarHBondContact O-N 3.2Å; F515-N518 PolarHBondContact O-N 2.88Å; F515-N518 PolarHBondContact O-OD1 3.2Å; F515-F521 HydrophobicContact CD2-CD1 4.48Å; F515-F521 HydrophobicContact CD2-CD2 4.47Å; F515-F521 HydrophobicContact CD2-CE1 4.42Å; F515-F521 HydrophobicContact CD2-CE2 4.39Å; F515-F521 HydrophobicContact CD2-CG 4.5Å; F515-F521 HydrophobicContact CD2-CZ 4.36Å; F515-F521 HydrophobicContact CE2-CE1 4.15Å; F515-F521 HydrophobicContact CE2-CZ 4.21Å
516E50.3Low60.2Low147 Ų14778.4 Ų78.469%0.68742%0.418SS*.Hα-helixtrans-62.7-38.7173.8-76.6171.7-169.600111.2K512 N518K512-E516 VanDerWaalsContact O-CB 3.26Å; K512-E516 WeakPolarHBondContact O-CB 3.45Å; K512-E516 WeakPolarHBondContact O-CG 3.49Å; K512-E516 PolarHBondContact O-N 3.49Å; E516-N518 VanDerWaalsContact C-N 3.3Å; E516-N518 PolarHBondContact O-N 2.97Å; E516-N518 VanDerWaalsContact O-N 3.15Å
517H51.5Low60.4Low133 Ų13379.7 Ų79.762%0.61642%0.417SS*.SBendtrans-85.870.9166.9-63.4-56.2000110.8A513 T514 F515 E519 A520A513-H517 PolarHBondContact O-CD2 3.41Å; A513-H517 PolarHBondContact O-N 3.2Å; T514-H517 CarbonylContact O-C 3.47Å; F515-H517 VanDerWaalsContact C-N 3.31Å; F515-H517 PolarHBondContact O-N 3.2Å; H517-E519 PolarHBondContact O-N 2.68Å; H517-A520 PolarHBondContact O-N 3.48Å
518N58.2Low60.7Low100 Ų10078.8 Ų78.854%0.53541%0.409SS..Hα-helixtrans-40.2-37.7178.9-95.1-32000113.3F515 E516 C522F515-N518 PolarHBondContact O-N 2.88Å; F515-N518 PolarHBondContact O-OD1 3.2Å; E516-N518 VanDerWaalsContact C-N 3.3Å; E516-N518 PolarHBondContact O-N 2.97Å; E516-N518 VanDerWaalsContact O-N 3.15Å; N518-C522 WeakPolarHBondContact O-CB 3.45Å; N518-C522 PolarHBondContact O-N 2.89Å; N518-C522 PolarHBondContact O-SG 3.4Å
519E59.3Low61.4Low170 Ų17078.4 Ų78.479%0.79441%0.407SS*.Hα-helixtrans-61.9-44179.1-67-175.3172.700114.3H517 A523H517-E519 PolarHBondContact O-N 2.68Å; E519-A523 WeakPolarHBondContact O-CB 3.29Å; E519-A523 PolarHBondContact O-N 3.4Å
520A58.1Low62.7Low42 Ų4278 Ų7835%0.34740%0.397SS..Hα-helixtrans-74.2-37.2-17600000112.1H517 R524H517-A520 PolarHBondContact O-N 3.48Å; A520-R524 WeakPolarHBondContact O-CG 3.47Å; A520-R524 PolarHBondContact O-N 3.4Å
521F60.7Low64Low19 Ų1973.2 Ų73.28%0.08338%0.376CS..Hα-helixtrans-64.6-49.8170.9171.8-96.5000111.3F419 T514 F515 A523 R524 I525F419-F521 AromaticContact CD2-CE2 3.79Å; F419-F521 HydrophobicContact CD2-CE2 3.79Å; F419-F521 AromaticContact CE2-CD2 3.94Å; F419-F521 HydrophobicContact CE2-CD2 3.94Å; F419-F521 AromaticContact CE2-CE2 3.58Å; F419-F521 HydrophobicContact CE2-CE2 3.58Å; T514-F521 VanDerWaalsContact O-CB 3.26Å; T514-F521 WeakPolarHBondContact O-CB 3.34Å; F515-F521 HydrophobicContact CD2-CD1 4.48Å; F515-F521 HydrophobicContact CD2-CD2 4.47Å; F515-F521 HydrophobicContact CD2-CE1 4.42Å; F515-F521 HydrophobicContact CD2-CE2 4.39Å; F515-F521 HydrophobicContact CD2-CG 4.5Å; F515-F521 HydrophobicContact CD2-CZ 4.36Å; F515-F521 HydrophobicContact CE2-CE1 4.15Å; F515-F521 HydrophobicContact CE2-CZ 4.21Å; F521-A523 VanDerWaalsContact C-N 3.34Å; F521-A523 PolarHBondContact O-N 3.29Å; F521-R524 PolarHBondContact O-N 3.29Å; F521-I525 HydrophobicContact CD1-CD1 4.17Å; F521-I525 HydrophobicContact CD2-CD1 4.27Å; F521-I525 HydrophobicContact CE1-CD1 3.5Å; F521-I525 VanDerWaalsContact CE1-CD1 3.5Å; F521-I525 HydrophobicContact CE2-CD1 3.63Å; F521-I525 HydrophobicContact CE2-CG1 4.45Å; F521-I525 HydrophobicContact CZ-CD1 3.2Å; F521-I525 HydrophobicContact CZ-CG1 4.39Å; F521-I525 PolarHBondContact O-N 2.94Å
522C63.9Low65.9Low46 Ų4669.5 Ų69.531%0.31136%0.356SS..Hα-helixtrans-55.9-50.1174.4-77.80000110.4N518 R524 I525 F526N518-C522 WeakPolarHBondContact O-CB 3.45Å; N518-C522 PolarHBondContact O-N 2.89Å; N518-C522 PolarHBondContact O-SG 3.4Å; C522-R524 PolarHBondContact O-N 3Å; C522-I525 PolarHBondContact O-N 2.94Å; C522-F526 VanDerWaalsContact C-CD2 3.44Å; C522-F526 HydrophobicContact CB-CD2 3.92Å; C522-F526 HydrophobicContact CB-CE2 3.84Å; C522-F526 VanDerWaalsContact O-CB 3.27Å; C522-F526 WeakPolarHBondContact O-CB 3.06Å; C522-F526 WeakPolarHBondContact O-CD2 3.45Å; C522-F526 WeakPolarHBondContact O-CG 3.38Å; C522-F526 PolarHBondContact O-N 3.28Å
523A63.8Low67.9Low48 Ų4865.3 Ų65.340%0.39734%0.342SS..Hα-helixtrans-57.6-44.418000000112.5E519 F521 F526 C527E519-A523 WeakPolarHBondContact O-CB 3.29Å; E519-A523 PolarHBondContact O-N 3.4Å; F521-A523 VanDerWaalsContact C-N 3.34Å; F521-A523 PolarHBondContact O-N 3.29Å; A523-F526 PolarHBondContact O-N 3.32Å; A523-C527 WeakPolarHBondContact O-CB 3.4Å; A523-C527 PolarHBondContact O-N 2.95Å; A523-C527 PolarHBondContact O-SG 2.87Å
524R68.6Low69.9Low99 Ų9968.4 Ų68.437%0.37435%0.345SS..Hα-helixtrans-66.1-45.2179.4-76.7-174.4-66.1-177.711.8113T514 A520 F521 C522 C527 R528T514-R524 PolarHBondContact OG1-NH2 3.29Å; A520-R524 WeakPolarHBondContact O-CG 3.47Å; A520-R524 PolarHBondContact O-N 3.4Å; F521-R524 PolarHBondContact O-N 3.29Å; C522-R524 PolarHBondContact O-N 3Å; R524-C527 PolarHBondContact O-N 3.43Å; R524-R528 WeakPolarHBondContact O-CG 3.33Å; R524-R528 PolarHBondContact O-N 3.28Å; R524-R528 VanDerWaalsContact O-N 3.08Å
525I69.4Low71.9Confident8 Ų867.7 Ų67.74%0.04134%0.341CS..Hα-helixtrans-62.1-47173-70.2-177.3000109.5F521 C522 C527 R528 F529 F541 Y543F521-I525 HydrophobicContact CD1-CD1 4.17Å; F521-I525 HydrophobicContact CD2-CD1 4.27Å; F521-I525 HydrophobicContact CE1-CD1 3.5Å; F521-I525 VanDerWaalsContact CE1-CD1 3.5Å; F521-I525 HydrophobicContact CE2-CD1 3.63Å; F521-I525 HydrophobicContact CE2-CG1 4.45Å; F521-I525 HydrophobicContact CZ-CD1 3.2Å; F521-I525 HydrophobicContact CZ-CG1 4.39Å; F521-I525 PolarHBondContact O-N 2.94Å; C522-I525 PolarHBondContact O-N 2.94Å; I525-C527 VanDerWaalsContact C-N 3.32Å; I525-C527 PolarHBondContact O-N 3.37Å; I525-R528 PolarHBondContact O-N 2.91Å; I525-R528 VanDerWaalsContact O-N 3.16Å; I525-F529 HydrophobicContact CB-CD2 4.48Å; I525-F529 HydrophobicContact CG2-CD2 3.71Å; I525-F529 HydrophobicContact CG2-CE2 4.14Å; I525-F529 HydrophobicContact CG2-CG 4.47Å; I525-F529 WeakPolarHBondContact O-CB 3.46Å; I525-F529 VanDerWaalsContact O-CD2 3.24Å; I525-F529 WeakPolarHBondContact O-CD2 3.32Å; I525-F529 PolarHBondContact O-N 2.85Å; I525-F541 HydrophobicContact CG2-CE1 4.45Å; I525-Y543 HydrophobicContact CD1-CE2 4.35Å
526F71.1Confident73.9Confident112 Ų11264.6 Ų64.649%0.49133%0.33SS..Hα-helixtrans-59.1-42179.5-79.2-60000111.9C522 A523 E530C522-F526 VanDerWaalsContact C-CD2 3.44Å; C522-F526 HydrophobicContact CB-CD2 3.92Å; C522-F526 HydrophobicContact CB-CE2 3.84Å; C522-F526 VanDerWaalsContact O-CB 3.27Å; C522-F526 WeakPolarHBondContact O-CB 3.06Å; C522-F526 WeakPolarHBondContact O-CD2 3.45Å; C522-F526 WeakPolarHBondContact O-CG 3.38Å; C522-F526 PolarHBondContact O-N 3.28Å; A523-F526 PolarHBondContact O-N 3.32Å; F526-E530 WeakPolarHBondContact O-CA 3.19Å; F526-E530 WeakPolarHBondContact O-CB 3.46Å; F526-E530 PolarHBondContact O-N 3.4Å
527C76.5Confident75.6Confident81 Ų8165.1 Ų65.155%0.54733%0.33SS..Hα-helixtrans-63.3-42.6175.5-70.90000112.7A523 R524 I525A523-C527 WeakPolarHBondContact O-CB 3.4Å; A523-C527 PolarHBondContact O-N 2.95Å; A523-C527 PolarHBondContact O-SG 2.87Å; R524-C527 PolarHBondContact O-N 3.43Å; I525-C527 VanDerWaalsContact C-N 3.32Å; I525-C527 PolarHBondContact O-N 3.37Å
528R80.3Confident77.3Confident55 Ų5560.2 Ų60.221%0.20831%0.31CS..Hα-helixtrans-72.7-33.5-179.3-70.3176.7-178.7-176.6-3.9112.8Y406 I415 E420 R524 I525Y406-R528 PolarHBondContact OH-O 2.9Å; I415-R528 PolarHBondContact O-NH1 3.25Å; I415-R528 PolarHBondContact O-NH2 2.97Å; E420-R528 VanDerWaalsContact CD-NH1 3.27Å; E420-R528 IonicContact OE1-NH1 2.72Å; E420-R528 PolarHBondContact OE1-NH1 3.28Å; E420-R528 IonicContact OE2-CZ 3.13Å; E420-R528 IonicContact OE2-NH1 3.81Å; E420-R528 PolarHBondContact OE2-NH1 3.16Å; R524-R528 WeakPolarHBondContact O-CG 3.33Å; R524-R528 PolarHBondContact O-N 3.28Å; R524-R528 VanDerWaalsContact O-N 3.08Å; I525-R528 PolarHBondContact O-N 2.91Å; I525-R528 VanDerWaalsContact O-N 3.16Å
529F85.1Confident78.9Confident2 Ų255.6 Ų55.61%0.00929%0.285CS..Hα-helixtrans-100.93.7-179.1-67.2-97000112.7Y416 V423 V424 I525 A531 L532 T533 F541Y416-F529 HydrophobicContact CD1-CZ 4.48Å; Y416-F529 HydrophobicContact CE1-CE2 4.11Å; Y416-F529 AromaticContact CE1-CZ 3.94Å; Y416-F529 HydrophobicContact CE1-CZ 3.94Å; V423-F529 HydrophobicContact CG1-CZ 4.13Å; V424-F529 HydrophobicContact CG2-CE1 4.36Å; V424-F529 HydrophobicContact CG2-CZ 3.69Å; I525-F529 HydrophobicContact CB-CD2 4.48Å; I525-F529 HydrophobicContact CG2-CD2 3.71Å; I525-F529 HydrophobicContact CG2-CE2 4.14Å; I525-F529 HydrophobicContact CG2-CG 4.47Å; I525-F529 WeakPolarHBondContact O-CB 3.46Å; I525-F529 VanDerWaalsContact O-CD2 3.24Å; I525-F529 WeakPolarHBondContact O-CD2 3.32Å; I525-F529 PolarHBondContact O-N 2.85Å; F529-A531 VanDerWaalsContact C-N 3.33Å; F529-A531 PolarHBondContact O-N 3.07Å; F529-L532 HydrophobicContact CD1-CD1 3.75Å; F529-L532 HydrophobicContact CE1-CD1 4.42Å; F529-L532 WeakPolarHBondContact O-CA 3.35Å; F529-L532 VanDerWaalsContact O-CB 3.31Å; F529-L532 WeakPolarHBondContact O-CB 3.27Å; F529-L532 PolarHBondContact O-N 3.48Å; F529-T533 PolarHBondContact O-N 3.45Å; F529-F541 HydrophobicContact CB-CD1 3.75Å; F529-F541 HydrophobicContact CB-CE1 3.84Å; F529-F541 HydrophobicContact CB-CG 4.17Å; F529-F541 HydrophobicContact CB-CZ 4.34Å; F529-F541 HydrophobicContact CD1-CD1 4.22Å; F529-F541 AromaticContact CD1-CD2 3.68Å; F529-F541 HydrophobicContact CD1-CD2 3.68Å; F529-F541 HydrophobicContact CD1-CE1 4.06Å; F529-F541 AromaticContact CD1-CE2 3.5Å; F529-F541 HydrophobicContact CD1-CE2 3.5Å; F529-F541 HydrophobicContact CD1-CG 4.03Å; F529-F541 AromaticContact CD1-CZ 3.69Å; F529-F541 HydrophobicContact CD1-CZ 3.69Å; F529-F541 HydrophobicContact CD2-CZ 4.44Å; F529-F541 HydrophobicContact CE1-CD2 4.23Å; F529-F541 AromaticContact CE1-CE2 3.74Å; F529-F541 HydrophobicContact CE1-CE2 3.74Å; F529-F541 HydrophobicContact CE1-CZ 4.05Å; F529-F541 HydrophobicContact CG-CD1 4.2Å; F529-F541 HydrophobicContact CG-CD2 4.45Å; F529-F541 AromaticContact CG-CE1 3.92Å; F529-F541 HydrophobicContact CG-CE1 3.92Å; F529-F541 HydrophobicContact CG-CE2 4.2Å; F529-F541 HydrophobicContact CG-CG 4.44Å; F529-F541 AromaticContact CG-CZ 3.91Å; F529-F541 HydrophobicContact CG-CZ 3.91Å
530E86.8Confident80.5Confident82 Ų8251.2 Ų51.238%0.38326%0.264SS..Hα-helixtrans-54-47.5-169.9-161.2-165.3149.100112.2F526 L532 T533 K534F526-E530 WeakPolarHBondContact O-CA 3.19Å; F526-E530 WeakPolarHBondContact O-CB 3.46Å; F526-E530 PolarHBondContact O-N 3.4Å; E530-L532 PolarHBondContact O-N 3.49Å; E530-T533 PolarHBondContact O-N 3.16Å; E530-T533 VanDerWaalsContact O-N 3.17Å; E530-T533 PolarHBondContact O-OG1 3.43Å; E530-K534 WeakPolarHBondContact OE1-CE 3.2Å; E530-K534 IonicContact OE1-NZ 2.63Å; E530-K534 PolarHBondContact OE1-NZ 2.9Å
531A87.1Confident82Confident6 Ų649.6 Ų49.65%0.0525%0.249CC..Hα-helixtrans-64.4-30.5179.600000112.6Q348 L351 F529 K534Q348-A531 HydrophobicContact CB-CB 4.42Å; Q348-A531 HydrophobicContact CG-CB 3.49Å; Q348-A531 VanDerWaalsContact CG-CB 3.49Å; Q348-A531 WeakPolarHBondContact O-CB 3.16Å; L351-A531 HydrophobicContact CD1-CB 4.35Å; F529-A531 VanDerWaalsContact C-N 3.33Å; F529-A531 PolarHBondContact O-N 3.07Å; A531-K534 PolarHBondContact O-N 3.46Å
532L92.9Very high83.3Confident0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-75.7-29.4178.2-53.5176.9000111.4L351 V403 Y406 Y427 F529 E530 K534 L535 F540 F541L351-L532 HydrophobicContact CD1-CD2 3.78Å; V403-L532 HydrophobicContact CG1-CD2 3.89Å; V403-L532 HydrophobicContact CG2-CD2 4.31Å; Y406-L532 HydrophobicContact CD1-CD1 4.48Å; Y406-L532 HydrophobicContact CD1-CD2 4.37Å; Y406-L532 HydrophobicContact CE1-CD1 4.22Å; Y406-L532 HydrophobicContact CE1-CG 4.4Å; Y427-L532 HydrophobicContact CD1-CD1 4.19Å; Y427-L532 HydrophobicContact CE1-CD1 3.74Å; Y427-L532 HydrophobicContact CE1-CD2 4.21Å; Y427-L532 HydrophobicContact CE1-CG 4.37Å; F529-L532 HydrophobicContact CD1-CD1 3.75Å; F529-L532 HydrophobicContact CE1-CD1 4.42Å; F529-L532 WeakPolarHBondContact O-CA 3.35Å; F529-L532 VanDerWaalsContact O-CB 3.31Å; F529-L532 WeakPolarHBondContact O-CB 3.27Å; F529-L532 PolarHBondContact O-N 3.48Å; E530-L532 PolarHBondContact O-N 3.49Å; L532-K534 PolarHBondContact O-N 3.42Å; L532-L535 HydrophobicContact CD2-CD1 4.04Å; L532-L535 PolarHBondContact O-N 2.84Å; L532-F540 WeakPolarHBondContact O-CA 3.46Å; L532-F541 HydrophobicContact CB-CB 3.67Å; L532-F541 PolarHBondContact O-N 2.89Å
533T91.1Very high84.4Confident51 Ų5151.2 Ų51.231%0.31325%0.252SS..Hα-helixtrans-67.5-23.2174.5680000113.2F529 E530 F541F529-T533 PolarHBondContact O-N 3.45Å; E530-T533 PolarHBondContact O-N 3.16Å; E530-T533 VanDerWaalsContact O-N 3.17Å; E530-T533 PolarHBondContact O-OG1 3.43Å; T533-F541 HydrophobicContact CG2-CB 4.33Å; T533-F541 HydrophobicContact CG2-CD1 4.04Å
534K91.3Very high85.4Confident118 Ų11856.7 Ų56.751%0.51327%0.267SS..THydrogen-bonded Turntrans-89.60.8-178.1-63.4176-172.7171.90113.9P352 E530 A531 L532P352-K534 HydrophobicContact CB-CB 4.26Å; P352-K534 HydrophobicContact CG-CB 4.06Å; P352-K534 HydrophobicContact CG-CD 4.29Å; E530-K534 WeakPolarHBondContact OE1-CE 3.2Å; E530-K534 IonicContact OE1-NZ 2.63Å; E530-K534 PolarHBondContact OE1-NZ 2.9Å; A531-K534 PolarHBondContact O-N 3.46Å; L532-K534 PolarHBondContact O-N 3.42Å
535L94.3Very high86.4Confident9 Ų955.6 Ų55.65%0.04727%0.271CS..SBendtrans-74.5156.4-179.8-63.3-179.9000111.5L351 L399 V403 L532 F539 F540L351-L535 HydrophobicContact CB-CD2 4.16Å; L351-L535 WeakPolarHBondContact O-CD2 3.43Å; L399-L535 HydrophobicContact CD1-CD1 4.45Å; L399-L535 HydrophobicContact CD1-CD2 3.72Å; L399-L535 HydrophobicContact CD2-CD2 4.31Å; V403-L535 HydrophobicContact CG2-CD1 4.03Å; L532-L535 HydrophobicContact CD2-CD1 4.04Å; L532-L535 PolarHBondContact O-N 2.84Å; L535-F539 HydrophobicContact CB-CB 4.05Å; L535-F539 HydrophobicContact CD1-CB 4.19Å; L535-F540 VanDerWaalsContact O-CB 3.29Å; L535-F540 WeakPolarHBondContact O-CB 3.45Å
536P91Very high87.3Confident29 Ų2955.3 Ų55.319%0.18827%0.27CS..PPolyproline II helixtrans-70.5154.9174.126.9-32.5000111.3I358 V359 F539 F540I358-P536 HydrophobicContact CB-CG 4.47Å; I358-P536 HydrophobicContact CD1-CG 4.3Å; V359-P536 HydrophobicContact CG2-CB 4.35Å; P536-F539 HydrophobicContact CG-CD2 4.23Å; P536-F539 WeakPolarHBondContact O-CA 3.23Å; P536-F539 WeakPolarHBondContact O-CB 3.41Å; P536-F539 WeakPolarHBondContact O-CD2 3.42Å; P536-F539 PolarHBondContact O-N 3.12Å; P536-F540 PolarHBondContact O-N 3.46Å
537F86.5Confident87.9Confident158 Ų15852.8 Ų52.869%0.69326%0.261SS*.THydrogen-bonded Turntrans-56.8138.9168.5176.7-93.9000110.3F540F537-F540 HydrophobicContact CB-CD1 3.97Å; F537-F540 HydrophobicContact CB-CE1 3.88Å; F537-F540 HydrophobicContact CD2-CD1 4.26Å; F537-F540 AromaticContact CD2-CE1 3.59Å; F537-F540 HydrophobicContact CD2-CE1 3.59Å; F537-F540 HydrophobicContact CD2-CZ 4.42Å; F537-F540 HydrophobicContact CG-CE1 4.21Å
538P87.6Confident88.3Confident29 Ų2951.3 Ų51.319%0.18826%0.255CS..THydrogen-bonded Turncis-95.217.84.336.1-32.6000114.6W435W435-P538 HydrophobicContact CD2-CG 4.04Å; W435-P538 HydrophobicContact CH2-CG 3.93Å; W435-P538 HydrophobicContact CZ2-CB 4.1Å; W435-P538 HydrophobicContact CZ2-CG 3.26Å
539F92.6Very high88.5Confident3 Ų350 Ų501%0.01325%0.253CS..SBendtrans-90.8-13.1-173.1-44.9-64.1000113.5I358 V396 L399 L400 Y427 W435 L535 P536 F541I358-F539 HydrophobicContact CD1-CD2 4.42Å; I358-F539 HydrophobicContact CD1-CE2 4.18Å; V396-F539 HydrophobicContact CB-CZ 4.29Å; V396-F539 HydrophobicContact CG1-CE1 3.91Å; V396-F539 HydrophobicContact CG1-CE2 4.12Å; V396-F539 HydrophobicContact CG1-CZ 3.37Å; V396-F539 HydrophobicContact CG2-CE2 3.95Å; V396-F539 HydrophobicContact CG2-CZ 3.88Å; L399-F539 HydrophobicContact CD2-CB 4.27Å; L399-F539 HydrophobicContact CD2-CD2 3.81Å; L399-F539 HydrophobicContact CD2-CE2 4.42Å; L399-F539 HydrophobicContact CD2-CG 4.05Å; L400-F539 HydrophobicContact CD1-CE1 4.32Å; L400-F539 HydrophobicContact CD2-CD1 3.87Å; L400-F539 HydrophobicContact CD2-CE1 4.09Å; Y427-F539 PolarHBondContact OH-O 3.39Å; W435-F539 HydrophobicContact CB-CD1 4.47Å; W435-F539 HydrophobicContact CB-CE1 3.84Å; W435-F539 AromaticContact CD2-CE1 3.88Å; W435-F539 HydrophobicContact CD2-CE1 3.88Å; W435-F539 HydrophobicContact CE3-CE1 4.21Å; W435-F539 HydrophobicContact CE3-CZ 4.45Å; W435-F539 HydrophobicContact CG-CD1 4.28Å; W435-F539 AromaticContact CG-CE1 3.68Å; W435-F539 HydrophobicContact CG-CE1 3.68Å; L535-F539 HydrophobicContact CB-CB 4.05Å; L535-F539 HydrophobicContact CD1-CB 4.19Å; P536-F539 HydrophobicContact CG-CD2 4.23Å; P536-F539 WeakPolarHBondContact O-CA 3.23Å; P536-F539 WeakPolarHBondContact O-CB 3.41Å; P536-F539 WeakPolarHBondContact O-CD2 3.42Å; P536-F539 PolarHBondContact O-N 3.12Å; F539-F541 PolarHBondContact O-N 3.21Å
540F90.8Very high88.4Confident79 Ų7950 Ų5035%0.34625%0.254SS..SBendtrans-58.8137.8178.572.1-98.1000111.6L532 L535 P536 F537 D542L532-F540 WeakPolarHBondContact O-CA 3.46Å; L535-F540 VanDerWaalsContact O-CB 3.29Å; L535-F540 WeakPolarHBondContact O-CB 3.45Å; P536-F540 PolarHBondContact O-N 3.46Å; F537-F540 HydrophobicContact CB-CD1 3.97Å; F537-F540 HydrophobicContact CB-CE1 3.88Å; F537-F540 HydrophobicContact CD2-CD1 4.26Å; F537-F540 AromaticContact CD2-CE1 3.59Å; F537-F540 HydrophobicContact CD2-CE1 3.59Å; F537-F540 HydrophobicContact CD2-CZ 4.42Å; F537-F540 HydrophobicContact CG-CE1 4.21Å; F540-D542 HydrophobicContact CD2-CB 3.96Å; F540-D542 HydrophobicContact CE2-CB 3.66Å; F540-D542 PolarHBondContact O-N 3.41Å
541F90.8Very high87.9Confident8 Ų848.4 Ų48.44%0.03525%0.25CS..  trans-76.4121.8173178.6-96.2000110.1V423 W426 Y427 I525 F529 L532 T533 F539 Y543V423-F541 HydrophobicContact CG2-CE2 3.54Å; V423-F541 HydrophobicContact CG2-CZ 3.56Å; W426-F541 HydrophobicContact CZ3-CD2 4.4Å; W426-F541 HydrophobicContact CZ3-CE2 4.21Å; Y427-F541 AromaticContact CD2-CD2 3.74Å; Y427-F541 HydrophobicContact CD2-CD2 3.74Å; Y427-F541 HydrophobicContact CE2-CB 4.11Å; Y427-F541 HydrophobicContact CE2-CD2 4.14Å; Y427-F541 HydrophobicContact CG-CD2 4.03Å; I525-F541 HydrophobicContact CG2-CE1 4.45Å; F529-F541 HydrophobicContact CB-CD1 3.75Å; F529-F541 HydrophobicContact CB-CE1 3.84Å; F529-F541 HydrophobicContact CB-CG 4.17Å; F529-F541 HydrophobicContact CB-CZ 4.34Å; F529-F541 HydrophobicContact CD1-CD1 4.22Å; F529-F541 AromaticContact CD1-CD2 3.68Å; F529-F541 HydrophobicContact CD1-CD2 3.68Å; F529-F541 HydrophobicContact CD1-CE1 4.06Å; F529-F541 AromaticContact CD1-CE2 3.5Å; F529-F541 HydrophobicContact CD1-CE2 3.5Å; F529-F541 HydrophobicContact CD1-CG 4.03Å; F529-F541 AromaticContact CD1-CZ 3.69Å; F529-F541 HydrophobicContact CD1-CZ 3.69Å; F529-F541 HydrophobicContact CD2-CZ 4.44Å; F529-F541 HydrophobicContact CE1-CD2 4.23Å; F529-F541 AromaticContact CE1-CE2 3.74Å; F529-F541 HydrophobicContact CE1-CE2 3.74Å; F529-F541 HydrophobicContact CE1-CZ 4.05Å; F529-F541 HydrophobicContact CG-CD1 4.2Å; F529-F541 HydrophobicContact CG-CD2 4.45Å; F529-F541 AromaticContact CG-CE1 3.92Å; F529-F541 HydrophobicContact CG-CE1 3.92Å; F529-F541 HydrophobicContact CG-CE2 4.2Å; F529-F541 HydrophobicContact CG-CG 4.44Å; F529-F541 AromaticContact CG-CZ 3.91Å; F529-F541 HydrophobicContact CG-CZ 3.91Å; L532-F541 HydrophobicContact CB-CB 3.67Å; L532-F541 PolarHBondContact O-N 2.89Å; T533-F541 HydrophobicContact CG2-CB 4.33Å; T533-F541 HydrophobicContact CG2-CD1 4.04Å; F539-F541 PolarHBondContact O-N 3.21Å; F541-Y543 HydrophobicContact CZ-CD2 4.17Å
542D88.3Confident87.3Confident50 Ų5057.2 Ų57.227%0.26728%0.282SS..  trans-127.2113.8171-172.8-9.3000110.7F540 K544 V545 F546F540-D542 HydrophobicContact CD2-CB 3.96Å; F540-D542 HydrophobicContact CE2-CB 3.66Å; F540-D542 PolarHBondContact O-N 3.41Å; D542-K544 PolarHBondContact O-N 2.74Å; D542-K544 VanDerWaalsContact OD1-CB 3.29Å; D542-K544 WeakPolarHBondContact OD1-CB 3.35Å; D542-K544 PolarHBondContact OD1-N 2.87Å; D542-V545 HydrophobicContact CB-CB 4.23Å; D542-V545 HydrophobicContact CB-CG2 3.79Å; D542-V545 PolarHBondContact O-N 3.39Å; D542-F546 PolarHBondContact O-N 3.38Å
543Y85.6Confident86.3Confident48 Ų4858.6 Ų58.619%0.18829%0.289CS..Hα-helixtrans-63.2-30.4177.8-167.5-109.8000112.3V423 I525 F541 V545 F546 L547V423-Y543 HydrophobicContact CG2-CD2 4.19Å; V423-Y543 HydrophobicContact CG2-CE2 4.3Å; I525-Y543 HydrophobicContact CD1-CE2 4.35Å; F541-Y543 HydrophobicContact CZ-CD2 4.17Å; Y543-V545 VanDerWaalsContact C-N 3.34Å; Y543-V545 PolarHBondContact O-N 2.96Å; Y543-F546 AromaticContact CD2-CD1 3.89Å; Y543-F546 HydrophobicContact CD2-CD1 3.89Å; Y543-F546 AromaticContact CE2-CD1 3.54Å; Y543-F546 HydrophobicContact CE2-CD1 3.54Å; Y543-F546 AromaticContact CE2-CE1 3.88Å; Y543-F546 HydrophobicContact CE2-CE1 3.88Å; Y543-F546 WeakPolarHBondContact O-CB 3.23Å; Y543-F546 PolarHBondContact O-N 3.4Å; Y543-L547 HydrophobicContact CD1-CD1 3.75Å; Y543-L547 HydrophobicContact CD1-CD2 4.47Å; Y543-L547 HydrophobicContact CD1-CG 3.88Å; Y543-L547 HydrophobicContact CE1-CD1 3.6Å; Y543-L547 HydrophobicContact CE1-CD2 3.74Å; Y543-L547 HydrophobicContact CE1-CG 3.64Å; Y543-L547 WeakPolarHBondContact O-CG 3.34Å; Y543-L547 PolarHBondContact O-N 3.38Å
544K86.6Confident85.2Confident163 Ų16357.3 Ų57.371%0.70928%0.282SS*.Hα-helixtrans-66.1-37.9176.8-62.3-177.4178.9-177.80111.6D542 F546 L547 A548D542-K544 PolarHBondContact O-N 2.74Å; D542-K544 VanDerWaalsContact OD1-CB 3.29Å; D542-K544 WeakPolarHBondContact OD1-CB 3.35Å; D542-K544 PolarHBondContact OD1-N 2.87Å; K544-F546 VanDerWaalsContact C-N 3.35Å; K544-L547 PolarHBondContact O-N 3.19Å; K544-A548 WeakPolarHBondContact O-CB 3.21Å; K544-A548 PolarHBondContact O-N 3.25Å
545V88.8Confident83.7Confident76 Ų7656.1 Ų56.146%0.46129%0.287SS..Hα-helixtrans-65.7-40.6174.9-179.20000110.5W426 D542 Y543 A548 S549W426-V545 HydrophobicContact CH2-CB 4.26Å; W426-V545 HydrophobicContact CH2-CG1 4.19Å; W426-V545 HydrophobicContact CZ2-CB 4.35Å; W426-V545 HydrophobicContact CZ2-CG1 3.84Å; D542-V545 HydrophobicContact CB-CB 4.23Å; D542-V545 HydrophobicContact CB-CG2 3.79Å; D542-V545 PolarHBondContact O-N 3.39Å; Y543-V545 VanDerWaalsContact C-N 3.34Å; Y543-V545 PolarHBondContact O-N 2.96Å; V545-A548 PolarHBondContact O-N 3.18Å; V545-S549 WeakPolarHBondContact O-CB 3.49Å; V545-S549 PolarHBondContact O-N 2.89Å
546F87.9Confident81.7Confident3 Ų361.2 Ų61.21%0.01331%0.311CS..Hα-helixtrans-60.1-48.1171.2165.9-106000111.9P422 V423 W426 Y496 D542 Y543 K544 A548 S549 S550P422-F546 HydrophobicContact CB-CE2 4.43Å; P422-F546 HydrophobicContact CB-CZ 4.16Å; V423-F546 HydrophobicContact CB-CD1 4.01Å; V423-F546 HydrophobicContact CB-CD2 4.03Å; V423-F546 HydrophobicContact CB-CE1 3.9Å; V423-F546 HydrophobicContact CB-CE2 3.92Å; V423-F546 HydrophobicContact CB-CG 4.06Å; V423-F546 HydrophobicContact CB-CZ 3.85Å; V423-F546 HydrophobicContact CG2-CB 4.14Å; V423-F546 HydrophobicContact CG2-CD1 3.91Å; V423-F546 HydrophobicContact CG2-CD2 3.99Å; V423-F546 HydrophobicContact CG2-CE1 4.33Å; V423-F546 HydrophobicContact CG2-CE2 4.39Å; V423-F546 HydrophobicContact CG2-CG 3.72Å; W426-F546 HydrophobicContact CB-CD2 3.85Å; W426-F546 HydrophobicContact CB-CE2 4.1Å; W426-F546 HydrophobicContact CD2-CB 4.02Å; W426-F546 AromaticContact CD2-CD2 3.75Å; W426-F546 HydrophobicContact CD2-CD2 3.75Å; W426-F546 HydrophobicContact CD2-CG 4.36Å; W426-F546 HydrophobicContact CE3-CB 3.67Å; W426-F546 AromaticContact CE3-CD2 3.87Å; W426-F546 HydrophobicContact CE3-CD2 3.87Å; W426-F546 HydrophobicContact CE3-CG 4.15Å; W426-F546 AromaticContact CG-CD2 3.73Å; W426-F546 HydrophobicContact CG-CD2 3.73Å; W426-F546 HydrophobicContact CG-CE2 4.41Å; W426-F546 HydrophobicContact CH2-CB 4.04Å; W426-F546 HydrophobicContact CZ2-CB 4.39Å; W426-F546 HydrophobicContact CZ3-CB 3.68Å; Y496-F546 HydrophobicContact CE2-CE2 4.12Å; D542-F546 PolarHBondContact O-N 3.38Å; Y543-F546 AromaticContact CD2-CD1 3.89Å; Y543-F546 HydrophobicContact CD2-CD1 3.89Å; Y543-F546 AromaticContact CE2-CD1 3.54Å; Y543-F546 HydrophobicContact CE2-CD1 3.54Å; Y543-F546 AromaticContact CE2-CE1 3.88Å; Y543-F546 HydrophobicContact CE2-CE1 3.88Å; Y543-F546 WeakPolarHBondContact O-CB 3.23Å; Y543-F546 PolarHBondContact O-N 3.4Å; K544-F546 VanDerWaalsContact C-N 3.35Å; F546-A548 VanDerWaalsContact C-N 3.33Å; F546-A548 PolarHBondContact O-N 3.12Å; F546-S549 PolarHBondContact O-N 2.63Å; F546-S549 PolarHBondContact O-OG 2.87Å; F546-S550 VanDerWaalsContact O-CB 3.27Å; F546-S550 WeakPolarHBondContact O-CB 3.48Å; F546-S550 PolarHBondContact O-N 3.49Å; F546-S550 PolarHBondContact O-OG 3.24Å
547L84.9Confident80.1Confident59 Ų5960.6 Ų60.631%0.30931%0.307SS..Hα-helixtrans-59.6-44.6178.5-71.9-180000111.1Y543 K544 S549 S550 T551Y543-L547 HydrophobicContact CD1-CD1 3.75Å; Y543-L547 HydrophobicContact CD1-CD2 4.47Å; Y543-L547 HydrophobicContact CD1-CG 3.88Å; Y543-L547 HydrophobicContact CE1-CD1 3.6Å; Y543-L547 HydrophobicContact CE1-CD2 3.74Å; Y543-L547 HydrophobicContact CE1-CG 3.64Å; Y543-L547 WeakPolarHBondContact O-CG 3.34Å; Y543-L547 PolarHBondContact O-N 3.38Å; K544-L547 PolarHBondContact O-N 3.19Å; L547-S549 PolarHBondContact O-N 3.23Å; L547-S550 WeakPolarHBondContact CA-OG 3.49Å; L547-S550 PolarHBondContact O-N 3.1Å; L547-S550 PolarHBondContact O-OG 2.87Å; L547-S550 VanDerWaalsContact O-OG 3.11Å; L547-T551 WeakPolarHBondContact O-CB 3.45Å; L547-T551 PolarHBondContact O-N 2.91Å; L547-T551 PolarHBondContact O-OG1 3.02Å
548A85.1Confident78.9Confident50 Ų5057.1 Ų57.141%0.41330%0.295SS..Hα-helixtrans-63.3-42.4176.300000112.5K544 V545 F546 R552K544-A548 WeakPolarHBondContact O-CB 3.21Å; K544-A548 PolarHBondContact O-N 3.25Å; V545-A548 PolarHBondContact O-N 3.18Å; F546-A548 VanDerWaalsContact C-N 3.33Å; F546-A548 PolarHBondContact O-N 3.12Å; A548-R552 WeakPolarHBondContact O-CG 3.28Å; A548-R552 PolarHBondContact O-N 3.31Å; A548-R552 VanDerWaalsContact O-N 3.14Å
549S84.1Confident77.6Confident26 Ų2660.5 Ų60.518%0.18231%0.309CS..Hα-helixtrans-68.7-42.8179.3101.80000112W426 Y496 V545 F546 L547 R552 L553W426-S549 PolarHBondContact NE1-OG 3.45Å; Y496-S549 PolarHBondContact OH-OG 3.37Å; V545-S549 WeakPolarHBondContact O-CB 3.49Å; V545-S549 PolarHBondContact O-N 2.89Å; F546-S549 PolarHBondContact O-N 2.63Å; F546-S549 PolarHBondContact O-OG 2.87Å; L547-S549 PolarHBondContact O-N 3.23Å; S549-R552 PolarHBondContact O-N 3.39Å; S549-L553 WeakPolarHBondContact O-CD1 3.4Å; S549-L553 PolarHBondContact O-N 2.92Å
550S82.1Confident76.2Confident3 Ų365.9 Ų65.92%0.02134%0.342CS..Hα-helixtrans-70.2-38.1178.960.70000110.8F546 L547 R552 L553 C554F546-S550 VanDerWaalsContact O-CB 3.27Å; F546-S550 WeakPolarHBondContact O-CB 3.48Å; F546-S550 PolarHBondContact O-N 3.49Å; F546-S550 PolarHBondContact O-OG 3.24Å; L547-S550 WeakPolarHBondContact CA-OG 3.49Å; L547-S550 PolarHBondContact O-N 3.1Å; L547-S550 PolarHBondContact O-OG 2.87Å; L547-S550 VanDerWaalsContact O-OG 3.11Å; S550-R552 PolarHBondContact O-N 3.13Å; S550-L553 CarbonylContact O-C 3.49Å; S550-L553 PolarHBondContact O-N 2.94Å; S550-C554 WeakPolarHBondContact O-CA 3.42Å; S550-C554 WeakPolarHBondContact O-CB 3.48Å; S550-C554 PolarHBondContact O-N 2.66Å; S550-C554 PolarHBondContact O-SG 3.32Å
551T77.4Confident75.2Confident49 Ų4962.9 Ų62.930%0.30133%0.329SS..Hα-helixtrans-62.7-40.6175.3-59.90000111.1L547 L553 C554 C555L547-T551 WeakPolarHBondContact O-CB 3.45Å; L547-T551 PolarHBondContact O-N 2.91Å; L547-T551 PolarHBondContact O-OG1 3.02Å; T551-L553 VanDerWaalsContact C-N 3.35Å; T551-L553 PolarHBondContact O-N 3.36Å; T551-C554 PolarHBondContact O-N 3.43Å; T551-C555 WeakPolarHBondContact CG2-SG 3.46Å; T551-C555 VanDerWaalsContact O-CB 3.25Å; T551-C555 WeakPolarHBondContact O-CB 3.48Å; T551-C555 PolarHBondContact O-N 3.39Å; T551-C555 PolarHBondContact O-SG 3.05Å
552R73.5Confident74.3Confident190 Ų19063.8 Ų63.872%0.71733%0.334SS*.Hα-helixtrans-59.3-44.8172.9-71.8173.9-172.6-175.92.5112.1A548 S549 S550 E556A548-R552 WeakPolarHBondContact O-CG 3.28Å; A548-R552 PolarHBondContact O-N 3.31Å; A548-R552 VanDerWaalsContact O-N 3.14Å; S549-R552 PolarHBondContact O-N 3.39Å; S550-R552 PolarHBondContact O-N 3.13Å; R552-E556 PolarHBondContact O-N 2.9Å
553L72Confident73.8Confident29 Ų2964.2 Ų64.215%0.15233%0.334CS..Hα-helixtrans-70.6-34.9175-88.692.1000112.8L500 S549 S550 T551 E556 V557L500-L553 HydrophobicContact CD1-CB 3.87Å; L500-L553 HydrophobicContact CD1-CD2 3.78Å; L500-L553 HydrophobicContact CD1-CG 4.4Å; S549-L553 WeakPolarHBondContact O-CD1 3.4Å; S549-L553 PolarHBondContact O-N 2.92Å; S550-L553 CarbonylContact O-C 3.49Å; S550-L553 PolarHBondContact O-N 2.94Å; T551-L553 VanDerWaalsContact C-N 3.35Å; T551-L553 PolarHBondContact O-N 3.36Å; L553-E556 VanDerWaalsContact O-CA 3.32Å; L553-E556 WeakPolarHBondContact O-CA 3.31Å; L553-V557 WeakPolarHBondContact O-CG2 3.42Å; L553-V557 PolarHBondContact O-N 2.63Å
554C67.9Low73.7Confident25 Ų2566.4 Ų66.417%0.16935%0.347CS..Hα-helixtrans-88.1-31.5-172-64.50000113.9S550 T551 E556 V557S550-C554 WeakPolarHBondContact O-CA 3.42Å; S550-C554 WeakPolarHBondContact O-CB 3.48Å; S550-C554 PolarHBondContact O-N 2.66Å; S550-C554 PolarHBondContact O-SG 3.32Å; T551-C554 PolarHBondContact O-N 3.43Å; C554-E556 PolarHBondContact O-N 3.27Å; C554-V557 VanDerWaalsContact C-N 3.3Å; C554-V557 CarbonylContact O-C 3.4Å; C554-V557 WeakPolarHBondContact O-CA 3.45Å; C554-V557 PolarHBondContact O-N 3.04Å; C554-V557 VanDerWaalsContact O-O 3.11Å
555C59.6Low73.6Confident92 Ų9258.8 Ų58.862%0.62231%0.314SS*.Hα-helixtrans-63.5-33.5164.9-63.80000109.9T551T551-C555 WeakPolarHBondContact CG2-SG 3.46Å; T551-C555 VanDerWaalsContact O-CB 3.25Å; T551-C555 WeakPolarHBondContact O-CB 3.48Å; T551-C555 PolarHBondContact O-N 3.39Å; T551-C555 PolarHBondContact O-SG 3.05Å
556E51.9Low73.6Confident117 Ų11755.3 Ų55.355%0.54729%0.293SS..Hα-helixtrans-41.6-65.5155.753.987.416700109.9R552 L553 C554 N558 N561R552-E556 PolarHBondContact O-N 2.9Å; L553-E556 VanDerWaalsContact O-CA 3.32Å; L553-E556 WeakPolarHBondContact O-CA 3.31Å; C554-E556 PolarHBondContact O-N 3.27Å; E556-N558 PolarHBondContact O-N 2.83Å; E556-N561 PolarHBondContact O-ND2 2.85Å; E556-N561 PolarHBondContact O-OD1 2.7Å
557V57.7Low73.6Confident16 Ų1660.5 Ų60.510%0.09731%0.312CS..  trans-7599-164-177.10000115.4C504 L553 C554 N561 V565C504-V557 HydrophobicContact CB-CG1 3.82Å; L553-V557 WeakPolarHBondContact O-CG2 3.42Å; L553-V557 PolarHBondContact O-N 2.63Å; C554-V557 VanDerWaalsContact C-N 3.3Å; C554-V557 CarbonylContact O-C 3.4Å; C554-V557 WeakPolarHBondContact O-CA 3.45Å; C554-V557 PolarHBondContact O-N 3.04Å; C554-V557 VanDerWaalsContact O-O 3.11Å; V557-N561 WeakPolarHBondContact CA-ND2 3.25Å; V557-N561 WeakPolarHBondContact CA-OD1 3.21Å; V557-N561 PolarHBondContact N-ND2 3.35Å; V557-V565 HydrophobicContact CG2-CB 4.28Å; V557-V565 HydrophobicContact CG2-CG2 3.36Å
558N62.8Low73.9Confident85 Ų8560.4 Ų60.446%0.45531%0.311SS..SBendtrans-114.7178.5161.358.126.4000110.5E556 T560 N561 L562E556-N558 PolarHBondContact O-N 2.83Å; N558-T560 PolarHBondContact ND2-OG1 2.8Å; N558-T560 PolarHBondContact O-N 2.68Å; N558-T560 PolarHBondContact OD1-N 3.3Å; N558-T560 VanDerWaalsContact OD1-N 3.1Å; N558-T560 PolarHBondContact OD1-OG1 3.49Å; N558-N561 PolarHBondContact N-OD1 3.32Å; N558-N561 PolarHBondContact O-N 2.92Å; N558-N561 PolarHBondContact O-OD1 3.19Å; N558-N561 PolarHBondContact OD1-N 3.29Å; N558-N561 VanDerWaalsContact OD1-N 3.08Å; N558-N561 PolarHBondContact OD1-OD1 3.12Å; N558-L562 PolarHBondContact O-N 3.14Å
559H59.6Low74.3Confident100 Ų10058 Ų5846%0.46329%0.291SS..THydrogen-bonded Turntrans-55.9-27.6176.7-73-63.7000113.1Y505Y505-H559 AromaticContact CE1-CE1 3.67Å; Y505-H559 AromaticContact CE1-ND1 3.54Å; Y505-H559 AromaticContact CZ-ND1 3.61Å; Y505-H559 PolarHBondContact OH-ND1 2.99Å
560T63Low74.8Confident116 Ų11657.6 Ų57.671%0.71229%0.287SS*.THydrogen-bonded Turntrans-77.5-27.3-176.970.30000113.9N558N558-T560 PolarHBondContact ND2-OG1 2.8Å; N558-T560 PolarHBondContact O-N 2.68Å; N558-T560 PolarHBondContact OD1-N 3.3Å; N558-T560 VanDerWaalsContact OD1-N 3.1Å; N558-T560 PolarHBondContact OD1-OG1 3.49Å
561N70.8Confident75.4Confident15 Ų1563.9 Ų63.98%0.0831%0.314CS..THydrogen-bonded Turntrans-112.67.4-176.983.5-31.7000113.9E556 V557 N558 H563 Q564 V565E556-N561 PolarHBondContact O-ND2 2.85Å; E556-N561 PolarHBondContact O-OD1 2.7Å; V557-N561 WeakPolarHBondContact CA-ND2 3.25Å; V557-N561 WeakPolarHBondContact CA-OD1 3.21Å; V557-N561 PolarHBondContact N-ND2 3.35Å; N558-N561 PolarHBondContact N-OD1 3.32Å; N558-N561 PolarHBondContact O-N 2.92Å; N558-N561 PolarHBondContact O-OD1 3.19Å; N558-N561 PolarHBondContact OD1-N 3.29Å; N558-N561 VanDerWaalsContact OD1-N 3.08Å; N558-N561 PolarHBondContact OD1-OD1 3.12Å; N561-H563 PolarHBondContact O-N 3.1Å; N561-H563 VanDerWaalsContact O-N 3.14Å; N561-Q564 HydrophobicContact CB-CB 4.28Å; N561-Q564 WeakPolarHBondContact O-CA 3.45Å; N561-Q564 VanDerWaalsContact O-CB 3.24Å; N561-Q564 WeakPolarHBondContact O-CB 3.48Å; N561-Q564 PolarHBondContact O-N 3.49Å; N561-V565 PolarHBondContact O-N 3.04Å
562L71.3Confident76.3Confident27 Ų2762.4 Ų62.414%0.14131%0.306CS..Hα-helixtrans-46.3-44.7166.5170.472.4000109.7C501 Y505 N558 Q564 V565 V566C501-L562 HydrophobicContact CB-CD1 3.75Å; C501-L562 VanDerWaalsContact SG-CD1 3.57Å; Y505-L562 HydrophobicContact CD2-CD1 4.48Å; Y505-L562 HydrophobicContact CE2-CB 4.2Å; Y505-L562 HydrophobicContact CE2-CD1 3.65Å; Y505-L562 HydrophobicContact CE2-CD2 3.97Å; Y505-L562 HydrophobicContact CE2-CG 4.11Å; Y505-L562 WeakPolarHBondContact OH-CB 3.29Å; Y505-L562 VanDerWaalsContact OH-CD2 3.23Å; Y505-L562 WeakPolarHBondContact OH-CD2 2.98Å; N558-L562 PolarHBondContact O-N 3.14Å; L562-Q564 PolarHBondContact O-N 3.37Å; L562-Q564 VanDerWaalsContact O-N 3.14Å; L562-V565 PolarHBondContact O-N 2.92Å; L562-V565 VanDerWaalsContact O-N 3.14Å; L562-V566 HydrophobicContact CD1-CG2 3.59Å; L562-V566 HydrophobicContact CG-CG2 3.91Å; L562-V566 WeakPolarHBondContact O-CG2 3.36Å; L562-V566 PolarHBondContact O-N 3.11Å
563H78.1Confident77.4Confident59 Ų5953.3 Ų53.327%0.27327%0.271SS..Hα-helixtrans-54.6-32.1176.3-77.1-77.8000113.1N561 R567 M608 S611N561-H563 PolarHBondContact O-N 3.1Å; N561-H563 VanDerWaalsContact O-N 3.14Å; H563-R567 WeakPolarHBondContact O-CB 3.36Å; H563-R567 PolarHBondContact O-N 3.37Å; H563-M608 PolarHBondContact CE1-O 2.93Å; H563-M608 PolarHBondContact ND1-O 3.45Å; H563-S611 VanDerWaalsContact CE1-CB 3.46Å; H563-S611 WeakPolarHBondContact CE1-CB 3.33Å; H563-S611 PolarHBondContact CE1-OG 2.7Å; H563-S611 VanDerWaalsContact CE1-OG 3.3Å; H563-S611 PolarHBondContact NE2-OG 2.83Å
564Q82.8Confident78.6Confident95 Ų9555.4 Ų55.444%0.44428%0.283SS..Hα-helixtrans-75-45.8177-176.6170-20.400111.8N561 L562 R567 M568N561-Q564 HydrophobicContact CB-CB 4.28Å; N561-Q564 WeakPolarHBondContact O-CA 3.45Å; N561-Q564 VanDerWaalsContact O-CB 3.24Å; N561-Q564 WeakPolarHBondContact O-CB 3.48Å; N561-Q564 PolarHBondContact O-N 3.49Å; L562-Q564 PolarHBondContact O-N 3.37Å; L562-Q564 VanDerWaalsContact O-N 3.14Å; Q564-R567 WeakPolarHBondContact O-CB 3.49Å; Q564-R567 PolarHBondContact O-N 2.79Å; Q564-M568 HydrophobicContact CG-SD 4.07Å; Q564-M568 VanDerWaalsContact O-CG 3.29Å; Q564-M568 WeakPolarHBondContact O-CG 3.21Å; Q564-M568 PolarHBondContact O-N 3.4Å; Q564-M568 VanDerWaalsContact O-SD 3.37Å
565V84.4Confident80Confident3 Ų356.7 Ų56.72%0.01829%0.29CS..Hα-helixtrans-69.3-42.4179.1178.20000112Q497 C501 V557 N561 L562 R567 M568 A569Q497-V565 HydrophobicContact CB-CG1 3.93Å; Q497-V565 HydrophobicContact CG-CG1 4.36Å; C501-V565 VanDerWaalsContact SG-CG1 3.55Å; V557-V565 HydrophobicContact CG2-CB 4.28Å; V557-V565 HydrophobicContact CG2-CG2 3.36Å; N561-V565 PolarHBondContact O-N 3.04Å; L562-V565 PolarHBondContact O-N 2.92Å; L562-V565 VanDerWaalsContact O-N 3.14Å; V565-R567 VanDerWaalsContact C-N 3.29Å; V565-R567 PolarHBondContact O-N 3.26Å; V565-M568 HydrophobicContact CG2-SD 4.44Å; V565-M568 WeakPolarHBondContact O-CB 3.39Å; V565-M568 PolarHBondContact O-N 2.87Å; V565-M568 VanDerWaalsContact O-N 3.1Å; V565-A569 PolarHBondContact O-N 3.28Å
566V88Confident81.7Confident3 Ų352.3 Ų52.32%0.01826%0.26CS..Hα-helixtrans-63.8-37.5173.1-178.30000110.5I498 L562 M568 A569 V570 A604 L607 M608I498-V566 HydrophobicContact CD1-CG1 4.49Å; I498-V566 HydrophobicContact CD1-CG2 4.43Å; L562-V566 HydrophobicContact CD1-CG2 3.59Å; L562-V566 HydrophobicContact CG-CG2 3.91Å; L562-V566 WeakPolarHBondContact O-CG2 3.36Å; L562-V566 PolarHBondContact O-N 3.11Å; V566-M568 VanDerWaalsContact C-N 3.29Å; V566-M568 PolarHBondContact O-N 3.42Å; V566-A569 WeakPolarHBondContact O-CB 3.27Å; V566-A569 PolarHBondContact O-N 3.06Å; V566-A569 VanDerWaalsContact O-N 3.1Å; V566-V570 HydrophobicContact CG1-CG2 4.49Å; V566-V570 WeakPolarHBondContact O-CG2 3.35Å; V566-V570 PolarHBondContact O-N 3.41Å; V566-A604 HydrophobicContact CG1-CB 4.25Å; V566-A604 VanDerWaalsContact CG1-O 3.29Å; V566-A604 WeakPolarHBondContact CG1-O 3.27Å; V566-L607 HydrophobicContact CG1-CB 4.22Å; V566-M608 HydrophobicContact CB-CG 4.11Å; V566-M608 HydrophobicContact CG1-CG 3.58Å; V566-M608 HydrophobicContact CG1-SD 4.35Å
567R89.4Confident83.8Confident111 Ų11147.3 Ų47.342%0.41924%0.238SC..Hα-helixtrans-61.7-37172.7-178-173.9-58.1126.8-1112.2H563 Q564 V565 K571 M608H563-R567 WeakPolarHBondContact O-CB 3.36Å; H563-R567 PolarHBondContact O-N 3.37Å; Q564-R567 WeakPolarHBondContact O-CB 3.49Å; Q564-R567 PolarHBondContact O-N 2.79Å; V565-R567 VanDerWaalsContact C-N 3.29Å; V565-R567 PolarHBondContact O-N 3.26Å; R567-K571 VanDerWaalsContact O-CG 3.32Å; R567-K571 WeakPolarHBondContact O-CG 3.42Å; R567-K571 PolarHBondContact O-N 3.48Å; R567-M608 VanDerWaalsContact CA-SD 3.54Å; R567-M608 HydrophobicContact CB-CE 3.63Å; R567-M608 HydrophobicContact CB-SD 3.91Å; R567-M608 HydrophobicContact CG-CE 3.85Å; R567-M608 HydrophobicContact CG-SD 4.48Å
568M90.7Very high85.6Confident58 Ų5851.4 Ų51.429%0.28626%0.259SS..Hα-helixtrans-64.4-41.9172.6-67147.962.200110.8Q497 Q564 V565 V566 K571 C572Q497-M568 PolarHBondContact OE1-O 3.41Å; Q564-M568 HydrophobicContact CG-SD 4.07Å; Q564-M568 VanDerWaalsContact O-CG 3.29Å; Q564-M568 WeakPolarHBondContact O-CG 3.21Å; Q564-M568 PolarHBondContact O-N 3.4Å; Q564-M568 VanDerWaalsContact O-SD 3.37Å; V565-M568 HydrophobicContact CG2-SD 4.44Å; V565-M568 WeakPolarHBondContact O-CB 3.39Å; V565-M568 PolarHBondContact O-N 2.87Å; V565-M568 VanDerWaalsContact O-N 3.1Å; V566-M568 VanDerWaalsContact C-N 3.29Å; V566-M568 PolarHBondContact O-N 3.42Å; M568-K571 WeakPolarHBondContact O-CB 3.18Å; M568-K571 PolarHBondContact O-N 3.27Å; M568-C572 PolarHBondContact O-N 3.35Å; M568-C572 PolarHBondContact O-SG 3.28Å; M568-C572 VanDerWaalsContact O-SG 3.41Å
569A92.6Very high87.2Confident0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-63.8-43.6176.900000112.2A494 Q497 I498 V565 V566 K571 C572 L573A494-A569 HydrophobicContact CB-CB 4.2Å; Q497-A569 HydrophobicContact CB-CB 4.08Å; I498-A569 HydrophobicContact CD1-CB 3.93Å; I498-A569 HydrophobicContact CG1-CB 3.95Å; V565-A569 PolarHBondContact O-N 3.28Å; V566-A569 WeakPolarHBondContact O-CB 3.27Å; V566-A569 PolarHBondContact O-N 3.06Å; V566-A569 VanDerWaalsContact O-N 3.1Å; A569-K571 VanDerWaalsContact C-N 3.33Å; A569-K571 PolarHBondContact O-N 3.01Å; A569-C572 WeakPolarHBondContact O-CB 3.41Å; A569-C572 PolarHBondContact O-N 2.83Å; A569-L573 WeakPolarHBondContact O-CG 3.19Å; A569-L573 PolarHBondContact O-N 2.84Å
570V94.3Very high88.8Confident17 Ų1743.5 Ų43.510%0.10322%0.221CC..Hα-helixtrans-60.4-42.8174172.30000111.1V566 C572 L573 N574 A604 Q605 M608V566-V570 HydrophobicContact CG1-CG2 4.49Å; V566-V570 WeakPolarHBondContact O-CG2 3.35Å; V566-V570 PolarHBondContact O-N 3.41Å; V570-C572 PolarHBondContact O-N 3.41Å; V570-L573 PolarHBondContact O-N 3.35Å; V570-N574 VanDerWaalsContact O-CB 3.3Å; V570-N574 WeakPolarHBondContact O-CB 3.35Å; V570-N574 PolarHBondContact O-N 3.5Å; V570-A604 HydrophobicContact CG2-CB 3.52Å; V570-Q605 HydrophobicContact CG1-CG 3.8Å; V570-Q605 HydrophobicContact CG2-CG 4.04Å; V570-M608 HydrophobicContact CB-SD 4.14Å; V570-M608 HydrophobicContact CG2-SD 3.67Å
571K95.5Very high90.3Very high135 Ų13541 Ų4159%0.58721%0.208SC*.Hα-helixtrans-61.1-43.9175.1-75.6176.8179.5-175.70111.5R567 M568 A569 N574 T575R567-K571 VanDerWaalsContact O-CG 3.32Å; R567-K571 WeakPolarHBondContact O-CG 3.42Å; R567-K571 PolarHBondContact O-N 3.48Å; M568-K571 WeakPolarHBondContact O-CB 3.18Å; M568-K571 PolarHBondContact O-N 3.27Å; A569-K571 VanDerWaalsContact C-N 3.33Å; A569-K571 PolarHBondContact O-N 3.01Å; K571-N574 PolarHBondContact O-N 2.75Å; K571-T575 PolarHBondContact O-N 2.89Å; K571-T575 PolarHBondContact O-OG1 3.17Å
572C96.4Very high91.3Very high17 Ų1741.9 Ų41.912%0.11521%0.213CC..Hα-helixtrans-61.1-49.6175.9-72.20000111.5F490 A494 M568 A569 V570 N574 T575 A576F490-C572 WeakPolarHBondContact CB-O 3.44Å; F490-C572 HydrophobicContact CD1-CB 4.46Å; F490-C572 WeakPolarHBondContact O-CB 3.23Å; A494-C572 HydrophobicContact CB-CB 4.04Å; M568-C572 PolarHBondContact O-N 3.35Å; M568-C572 PolarHBondContact O-SG 3.28Å; M568-C572 VanDerWaalsContact O-SG 3.41Å; A569-C572 WeakPolarHBondContact O-CB 3.41Å; A569-C572 PolarHBondContact O-N 2.83Å; V570-C572 PolarHBondContact O-N 3.41Å; C572-N574 VanDerWaalsContact C-N 3.35Å; C572-N574 PolarHBondContact O-N 2.92Å; C572-T575 PolarHBondContact O-N 3.18Å; C572-A576 PolarHBondContact O-N 3.26Å
573L96.8Very high92.1Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-62.2-40.1178.8-69.2165000112.5A494 A569 V570 A576 C577 N600 M601 A604 I632A494-L573 HydrophobicContact CB-CD1 4.07Å; A494-L573 HydrophobicContact CB-CD2 3.79Å; A494-L573 HydrophobicContact CB-CG 3.54Å; A569-L573 WeakPolarHBondContact O-CG 3.19Å; A569-L573 PolarHBondContact O-N 2.84Å; V570-L573 PolarHBondContact O-N 3.35Å; L573-A576 WeakPolarHBondContact O-CB 3.4Å; L573-A576 PolarHBondContact O-N 3.23Å; L573-C577 PolarHBondContact O-N 2.96Å; L573-C577 PolarHBondContact O-SG 2.95Å; L573-N600 HydrophobicContact CD1-CB 4.13Å; L573-N600 HydrophobicContact CD2-CB 4.14Å; L573-M601 HydrophobicContact CB-CB 4Å; L573-M601 HydrophobicContact CB-CG 4.3Å; L573-M601 HydrophobicContact CD1-CB 4.42Å; L573-A604 HydrophobicContact CD1-CB 4.28Å; L573-I632 HydrophobicContact CD1-CD1 4.45Å
574N96.5Very high92.5Very high73 Ų7345.1 Ų45.139%0.3924%0.24SC..Hα-helixtrans-62.6-44.7175.2-173.858.1000111.4V570 K571 C572 A576 C577 N578 M601V570-N574 VanDerWaalsContact O-CB 3.3Å; V570-N574 WeakPolarHBondContact O-CB 3.35Å; V570-N574 PolarHBondContact O-N 3.5Å; K571-N574 PolarHBondContact O-N 2.75Å; C572-N574 VanDerWaalsContact C-N 3.35Å; C572-N574 PolarHBondContact O-N 2.92Å; N574-A576 VanDerWaalsContact C-N 3.34Å; N574-A576 PolarHBondContact O-N 3.22Å; N574-C577 WeakPolarHBondContact O-CB 3.24Å; N574-C577 PolarHBondContact O-N 3.25Å; N574-N578 VanDerWaalsContact O-CG 3.24Å; N574-N578 PolarHBondContact O-N 3.14Å; N574-N578 PolarHBondContact O-ND2 2.8Å; N574-M601 HydrophobicContact CB-SD 4.05Å
575T97.1Very high92.8Very high52 Ų5240.6 Ų40.632%0.31922%0.219SC..Hα-helixtrans-62.5-41.7174.9-56.20000111.4F490 K571 C572 C577 N578 V579F490-T575 HydrophobicContact CD1-CG2 4.21Å; F490-T575 HydrophobicContact CD2-CG2 3.71Å; F490-T575 HydrophobicContact CE1-CG2 3.96Å; F490-T575 HydrophobicContact CE2-CG2 3.44Å; F490-T575 VanDerWaalsContact CE2-CG2 3.44Å; F490-T575 HydrophobicContact CG-CG2 4.11Å; F490-T575 HydrophobicContact CZ-CG2 3.58Å; K571-T575 PolarHBondContact O-N 2.89Å; K571-T575 PolarHBondContact O-OG1 3.17Å; C572-T575 PolarHBondContact O-N 3.18Å; T575-C577 PolarHBondContact O-N 3.09Å; T575-N578 PolarHBondContact O-N 3.46Å; T575-V579 WeakPolarHBondContact O-CG2 3.32Å; T575-V579 PolarHBondContact O-N 3.11Å
576A96.6Very high92.8Very high0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-59.1-46.3174.200000111.8F490 I491 C572 L573 N574 N578 V579 L580F490-A576 HydrophobicContact CB-CB 3.77Å; I491-A576 HydrophobicContact CG1-CB 3.82Å; C572-A576 PolarHBondContact O-N 3.26Å; L573-A576 WeakPolarHBondContact O-CB 3.4Å; L573-A576 PolarHBondContact O-N 3.23Å; N574-A576 VanDerWaalsContact C-N 3.34Å; N574-A576 PolarHBondContact O-N 3.22Å; A576-N578 VanDerWaalsContact C-N 3.31Å; A576-N578 PolarHBondContact O-N 3.13Å; A576-V579 PolarHBondContact O-N 2.87Å; A576-L580 WeakPolarHBondContact O-CB 3.45Å; A576-L580 VanDerWaalsContact O-CG 3.29Å; A576-L580 WeakPolarHBondContact O-CG 3.41Å; A576-L580 PolarHBondContact O-N 3.08Å
577C96Very high92.6Very high11 Ų1148 Ų487%0.07428%0.275CS..Hα-helixtrans-58.5-42175.2-77.90000112.1L573 N574 T575 L580 S581 C597L573-C577 PolarHBondContact O-N 2.96Å; L573-C577 PolarHBondContact O-SG 2.95Å; N574-C577 WeakPolarHBondContact O-CB 3.24Å; N574-C577 PolarHBondContact O-N 3.25Å; T575-C577 PolarHBondContact O-N 3.09Å; C577-L580 PolarHBondContact O-N 3.37Å; C577-S581 WeakPolarHBondContact O-CB 3.31Å; C577-S581 PolarHBondContact O-N 3.11Å; C577-S581 PolarHBondContact O-OG 3.29Å; C577-C597 WeakPolarHBondContact SG-CB 3.44Å
578N95.8Very high92.3Very high102 Ų10250.4 Ų50.455%0.54529%0.29SS..Hα-helixtrans-64.5-42.8178.2-68-24.4000111.7N574 T575 A576 S581N574-N578 VanDerWaalsContact O-CG 3.24Å; N574-N578 PolarHBondContact O-N 3.14Å; N574-N578 PolarHBondContact O-ND2 2.8Å; T575-N578 PolarHBondContact O-N 3.46Å; A576-N578 VanDerWaalsContact C-N 3.31Å; A576-N578 PolarHBondContact O-N 3.13Å; N578-S581 PolarHBondContact O-N 3.28Å
579V95.3Very high92Very high20 Ų2051.6 Ų51.612%0.12130%0.301CS..Hα-helixtrans-62.7-48.3175.2175.20000110.7R483 Q486 A487 T575 A576 S581 N582 L585R483-V579 HydrophobicContact CB-CG1 4.05Å; R483-V579 WeakPolarHBondContact O-CG1 3.13Å; Q486-V579 HydrophobicContact CB-CG1 4.21Å; A487-V579 HydrophobicContact CB-CG1 4.11Å; T575-V579 WeakPolarHBondContact O-CG2 3.32Å; T575-V579 PolarHBondContact O-N 3.11Å; A576-V579 PolarHBondContact O-N 2.87Å; V579-S581 PolarHBondContact O-N 2.98Å; V579-N582 WeakPolarHBondContact O-CB 3.39Å; V579-N582 PolarHBondContact O-N 2.61Å; V579-N582 VanDerWaalsContact O-N 3.14Å; V579-L585 WeakPolarHBondContact O-CD1 3.42Å
580L94.5Very high91.9Very high0 Ų052 Ų520%030%0.304CS..Hα-helixtrans-67-20.7-179.7-70.2171.2000114.1A487 I491 A576 C577 N582 L585 V590 L593 R594 C597A487-L580 HydrophobicContact CB-CD1 4.46Å; A487-L580 HydrophobicContact CB-CD2 3.65Å; A487-L580 HydrophobicContact CB-CG 3.78Å; I491-L580 HydrophobicContact CD1-CD1 4.37Å; A576-L580 WeakPolarHBondContact O-CB 3.45Å; A576-L580 VanDerWaalsContact O-CG 3.29Å; A576-L580 WeakPolarHBondContact O-CG 3.41Å; A576-L580 PolarHBondContact O-N 3.08Å; C577-L580 PolarHBondContact O-N 3.37Å; L580-N582 PolarHBondContact O-N 2.91Å; L580-L585 HydrophobicContact CD2-CD1 4.28Å; L580-V590 HydrophobicContact CD2-CG1 4.3Å; L580-L593 HydrophobicContact CD1-CB 4.04Å; L580-L593 HydrophobicContact CD2-CB 4.35Å; L580-R594 HydrophobicContact CB-CG 3.71Å; L580-R594 HydrophobicContact CD1-CG 4.39Å; L580-R594 PolarHBondContact O-NE 3.34Å; L580-C597 HydrophobicContact CD1-CB 4.41Å; L580-C597 VanDerWaalsContact CD1-SG 3.6Å
581S93.3Very high91.6Very high62 Ų6253.3 Ų53.343%0.43432%0.316SS..THydrogen-bonded Turntrans-80.5-3.4176.4-59.50000112.8C577 N578 V579C577-S581 WeakPolarHBondContact O-CB 3.31Å; C577-S581 PolarHBondContact O-N 3.11Å; C577-S581 PolarHBondContact O-OG 3.29Å; N578-S581 PolarHBondContact O-N 3.28Å; V579-S581 PolarHBondContact O-N 2.98Å
582N90.9Very high91.3Very high35 Ų3549 Ų4919%0.18730%0.299CS..SBendtrans-63.1132176.6-169.1-64.8000110.9R483 V579 L580 V584 L585R483-N582 VanDerWaalsContact CZ-ND2 3.28Å; R483-N582 PolarHBondContact NH1-ND2 2.76Å; R483-N582 VanDerWaalsContact NH1-ND2 3.19Å; V579-N582 WeakPolarHBondContact O-CB 3.39Å; V579-N582 PolarHBondContact O-N 2.61Å; V579-N582 VanDerWaalsContact O-N 3.14Å; L580-N582 PolarHBondContact O-N 2.91Å; N582-V584 PolarHBondContact O-N 3.43Å; N582-V584 VanDerWaalsContact O-N 3.12Å; N582-V584 VanDerWaalsContact OD1-CB 3.24Å; N582-V584 WeakPolarHBondContact OD1-CB 3.33Å; N582-V584 VanDerWaalsContact OD1-CG2 3.32Å; N582-V584 WeakPolarHBondContact OD1-CG2 3.42Å; N582-V584 PolarHBondContact OD1-N 3.35Å; N582-L585 PolarHBondContact O-N 3.3Å
583P88.9Confident91Very high115 Ų11548.2 Ų48.275%0.74729%0.293SS*.THydrogen-bonded Turntrans-63.5-19.1-177.225.8-36.1000114.2L585P583-L585 VanDerWaalsContact C-N 3.25Å; P583-L585 PolarHBondContact O-N 2.69Å
584V87.5Confident90.7Very high38 Ų3851.7 Ų51.723%0.2331%0.307CS..THydrogen-bonded Turntrans-66.9-29174.2175.10000111.6P475 V480 N582 T586P475-V584 HydrophobicContact CB-CG1 3.81Å; P475-V584 HydrophobicContact CB-CG2 3.98Å; V480-V584 HydrophobicContact CG2-CG1 3.61Å; N582-V584 PolarHBondContact O-N 3.43Å; N582-V584 VanDerWaalsContact O-N 3.12Å; N582-V584 VanDerWaalsContact OD1-CB 3.24Å; N582-V584 WeakPolarHBondContact OD1-CB 3.33Å; N582-V584 VanDerWaalsContact OD1-CG2 3.32Å; N582-V584 WeakPolarHBondContact OD1-CG2 3.42Å; N582-V584 PolarHBondContact OD1-N 3.35Å; V584-T586 PolarHBondContact O-N 2.63Å
585L88.2Confident90.5Very high1 Ų151.5 Ų51.51%0.00531%0.308CS..  trans-86.6108.4179.3-63.2-179000110.4V480 R483 M484 V579 L580 N582 P583 V590 R594V480-L585 HydrophobicContact CB-CD2 4.4Å; V480-L585 HydrophobicContact CG1-CD2 3.89Å; R483-L585 HydrophobicContact CB-CD1 3.99Å; R483-L585 HydrophobicContact CB-CD2 4.08Å; R483-L585 HydrophobicContact CB-CG 4.25Å; M484-L585 HydrophobicContact CG-CD2 3.9Å; M484-L585 HydrophobicContact SD-CD2 4.16Å; V579-L585 WeakPolarHBondContact O-CD1 3.42Å; L580-L585 HydrophobicContact CD2-CD1 4.28Å; N582-L585 PolarHBondContact O-N 3.3Å; P583-L585 VanDerWaalsContact C-N 3.25Å; P583-L585 PolarHBondContact O-N 2.69Å; L585-V590 HydrophobicContact CB-CG1 3.79Å; L585-V590 HydrophobicContact CB-CG2 4.22Å; L585-R594 PolarHBondContact O-NH2 2.92Å
586T85.3Confident90.2Very high111 Ų11149.1 Ų49.168%0.68129%0.293SS*.  trans-127.4160.6-179.358.20000110.8V584V584-T586 PolarHBondContact O-N 2.63Å
587G83.6Confident90.1Very high51 Ų5149.1 Ų49.153%0.52629%0.293SS..SBendtrans112.8165.8178.100000114.4V590 A591G587-V590 PolarHBondContact O-N 3.07Å; G587-A591 PolarHBondContact O-N 3.18Å; G587-A591 VanDerWaalsContact O-N 3.12Å
588E83.4Confident90Very high160 Ų16055.3 Ų55.375%0.74832%0.315SS*.Hα-helixtrans-63.2-42.5-175-67.6173.9-178.200112.3V590 A591 M592E588-V590 VanDerWaalsContact C-N 3.32Å; E588-V590 PolarHBondContact O-N 2.74Å; E588-A591 PolarHBondContact O-N 3.44Å; E588-M592 WeakPolarHBondContact O-CB 3.47Å; E588-M592 PolarHBondContact O-N 2.99Å
589T83.7Confident89.9Confident84 Ų8454.9 Ų54.952%0.51531%0.308SS..Hα-helixtrans-58.4-43.3176.7-44.90000111.8M592 L593T589-M592 HydrophobicContact CG2-CE 4.09Å; T589-M592 PolarHBondContact O-N 2.69Å; T589-L593 HydrophobicContact CG2-CD1 4.24Å; T589-L593 WeakPolarHBondContact O-CB 3.35Å; T589-L593 VanDerWaalsContact O-CG 3.25Å; T589-L593 WeakPolarHBondContact O-CG 3.18Å; T589-L593 PolarHBondContact O-N 3.34Å
590V89.2Confident89.9Confident9 Ų954 Ų546%0.05530%0.302CS..Hα-helixtrans-66.9-43178.8-1790000110.4M484 L580 L585 G587 E588 L593 R594M484-V590 HydrophobicContact SD-CG2 4.01Å; L580-V590 HydrophobicContact CD2-CG1 4.3Å; L585-V590 HydrophobicContact CB-CG1 3.79Å; L585-V590 HydrophobicContact CB-CG2 4.22Å; G587-V590 PolarHBondContact O-N 3.07Å; E588-V590 VanDerWaalsContact C-N 3.32Å; E588-V590 PolarHBondContact O-N 2.74Å; V590-L593 PolarHBondContact O-N 2.87Å; V590-R594 WeakPolarHBondContact O-CG 3.31Å; V590-R594 PolarHBondContact O-N 3.44Å
591A89.3Confident89.9Confident44 Ų4455.3 Ų55.336%0.36431%0.309SS..Hα-helixtrans-60.7-45.1177.100000111.5G587 E588 R594 V595G587-A591 PolarHBondContact O-N 3.18Å; G587-A591 VanDerWaalsContact O-N 3.12Å; E588-A591 PolarHBondContact O-N 3.44Å; A591-R594 PolarHBondContact O-N 3.08Å; A591-V595 WeakPolarHBondContact O-CG2 3.49Å; A591-V595 PolarHBondContact O-N 3.12Å
592M87.9Confident89.8Confident44 Ų4456.9 Ų56.922%0.21731%0.312CS..Hα-helixtrans-59.4-49.8174.8173.7-84.5-67.800111.6E588 T589 R594 V595 I596 H626E588-M592 WeakPolarHBondContact O-CB 3.47Å; E588-M592 PolarHBondContact O-N 2.99Å; T589-M592 HydrophobicContact CG2-CE 4.09Å; T589-M592 PolarHBondContact O-N 2.69Å; M592-R594 VanDerWaalsContact C-N 3.31Å; M592-R594 PolarHBondContact O-N 3.31Å; M592-V595 WeakPolarHBondContact O-CB 3.49Å; M592-V595 PolarHBondContact O-N 2.61Å; M592-I596 HydrophobicContact CG-CD1 4.38Å; M592-I596 PolarHBondContact O-N 3.27Å; M592-I596 HydrophobicContact SD-CD1 3.33Å; M592-I596 WeakPolarHBondContact SD-CD1 3.33Å; M592-I596 HydrophobicContact SD-CG1 4.12Å; M592-H626 WeakPolarHBondContact CE-CD2 3.45Å; M592-H626 HydrophobicContact SD-CB 4.44Å
593L90.9Very high89.8Confident0 Ų055.6 Ų55.60%031%0.306CS..Hα-helixtrans-59.7-39.5177.9-72.2170.8000112.4M484 F488 I491 L580 T589 V590 V595 I596 C597 F629M484-L593 HydrophobicContact CE-CD1 3.79Å; F488-L593 HydrophobicContact CE1-CD1 3.72Å; F488-L593 HydrophobicContact CE1-CD2 4.35Å; F488-L593 HydrophobicContact CZ-CD1 4.41Å; I491-L593 HydrophobicContact CD1-CD2 4.46Å; L580-L593 HydrophobicContact CD1-CB 4.04Å; L580-L593 HydrophobicContact CD2-CB 4.35Å; T589-L593 HydrophobicContact CG2-CD1 4.24Å; T589-L593 WeakPolarHBondContact O-CB 3.35Å; T589-L593 VanDerWaalsContact O-CG 3.25Å; T589-L593 WeakPolarHBondContact O-CG 3.18Å; T589-L593 PolarHBondContact O-N 3.34Å; V590-L593 PolarHBondContact O-N 2.87Å; L593-V595 VanDerWaalsContact C-N 3.29Å; L593-V595 PolarHBondContact O-N 3.31Å; L593-I596 PolarHBondContact O-N 3.33Å; L593-C597 WeakPolarHBondContact O-CB 3.33Å; L593-C597 PolarHBondContact O-N 3.1Å; L593-C597 PolarHBondContact O-SG 3.06Å; L593-F629 HydrophobicContact CD2-CD1 4.11Å; L593-F629 HydrophobicContact CD2-CD2 3.71Å; L593-F629 HydrophobicContact CD2-CE1 3.95Å; L593-F629 HydrophobicContact CD2-CE2 3.6Å; L593-F629 HydrophobicContact CD2-CG 4.02Å; L593-F629 HydrophobicContact CD2-CZ 3.73Å
594R91.7Very high89.9Confident74 Ų7450.1 Ų50.128%0.27927%0.271SS..Hα-helixtrans-59.7-41.1174.9-73.2-178.5-148.2143.83.1111.8L580 L585 V590 A591 M592 R598L580-R594 HydrophobicContact CB-CG 3.71Å; L580-R594 HydrophobicContact CD1-CG 4.39Å; L580-R594 PolarHBondContact O-NE 3.34Å; L585-R594 PolarHBondContact O-NH2 2.92Å; V590-R594 WeakPolarHBondContact O-CG 3.31Å; V590-R594 PolarHBondContact O-N 3.44Å; A591-R594 PolarHBondContact O-N 3.08Å; M592-R594 VanDerWaalsContact C-N 3.31Å; M592-R594 PolarHBondContact O-N 3.31Å; R594-R598 WeakPolarHBondContact O-CB 3.5Å; R594-R598 VanDerWaalsContact O-CG 3.3Å; R594-R598 WeakPolarHBondContact O-CG 3.3Å; R594-R598 PolarHBondContact O-N 3.05Å
595V91.7Very high90.1Very high69 Ų6951.6 Ų51.642%0.41828%0.275SS..Hα-helixtrans-66.5-45.7178.3177.60000110.4A591 M592 L593 R598 K599 F625A591-V595 WeakPolarHBondContact O-CG2 3.49Å; A591-V595 PolarHBondContact O-N 3.12Å; M592-V595 WeakPolarHBondContact O-CB 3.49Å; M592-V595 PolarHBondContact O-N 2.61Å; L593-V595 VanDerWaalsContact C-N 3.29Å; L593-V595 PolarHBondContact O-N 3.31Å; V595-R598 PolarHBondContact O-N 3.14Å; V595-K599 HydrophobicContact CG1-CD 4.25Å; V595-K599 HydrophobicContact CG1-CG 4.46Å; V595-K599 WeakPolarHBondContact O-CG 3.27Å; V595-K599 PolarHBondContact O-N 2.97Å; V595-F625 HydrophobicContact CG1-CE1 4.36Å; V595-F625 HydrophobicContact CG1-CZ 3.76Å
596I91.3Very high90.1Very high1 Ų154.4 Ų54.41%0.00529%0.29CS..Hα-helixtrans-57.5-53176-66.2-177.5000110.8Y495 M592 L593 R598 K599 N600 F625 H626 F629 L631Y495-I596 WeakPolarHBondContact OH-CG2 3.45Å; M592-I596 HydrophobicContact CG-CD1 4.38Å; M592-I596 PolarHBondContact O-N 3.27Å; M592-I596 HydrophobicContact SD-CD1 3.33Å; M592-I596 WeakPolarHBondContact SD-CD1 3.33Å; M592-I596 HydrophobicContact SD-CG1 4.12Å; L593-I596 PolarHBondContact O-N 3.33Å; I596-R598 VanDerWaalsContact C-N 3.29Å; I596-R598 PolarHBondContact O-N 3.36Å; I596-K599 PolarHBondContact O-N 3.01Å; I596-N600 WeakPolarHBondContact CG2-ND2 3.33Å; I596-N600 WeakPolarHBondContact O-CB 3.35Å; I596-N600 PolarHBondContact O-N 3.47Å; I596-F625 HydrophobicContact CD1-CD1 3.98Å; I596-F625 HydrophobicContact CD1-CE1 4.13Å; I596-F625 HydrophobicContact CG1-CD1 3.7Å; I596-F625 HydrophobicContact CG1-CE1 3.4Å; I596-H626 HydrophobicContact CD1-CB 3.98Å; I596-F629 HydrophobicContact CD1-CB 3.55Å; I596-F629 HydrophobicContact CD1-CG 4.36Å; I596-F629 HydrophobicContact CG2-CB 4.22Å; I596-L631 HydrophobicContact CG2-CD2 4.38Å
597C93.9Very high90Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-57.3-43.2-179.1-68.40000112I491 C577 L580 L593 N600 M601I491-C597 WeakPolarHBondContact CD1-SG 3.38Å; I491-C597 WeakPolarHBondContact CG1-SG 3.42Å; C577-C597 WeakPolarHBondContact SG-CB 3.44Å; L580-C597 HydrophobicContact CD1-CB 4.41Å; L580-C597 VanDerWaalsContact CD1-SG 3.6Å; L593-C597 WeakPolarHBondContact O-CB 3.33Å; L593-C597 PolarHBondContact O-N 3.1Å; L593-C597 PolarHBondContact O-SG 3.06Å; C597-N600 PolarHBondContact O-N 3.33Å; C597-M601 VanDerWaalsContact O-CB 3.25Å; C597-M601 WeakPolarHBondContact O-CB 3.48Å; C597-M601 PolarHBondContact O-N 3.37Å
598R94.2Very high90Very high142 Ų14249.3 Ų49.354%0.53625%0.245SC..Hα-helixtrans-65.3-45.7178.2-76.5178.3179.3177.50.4112R594 V595 I596 N600 M601 I602R594-R598 WeakPolarHBondContact O-CB 3.5Å; R594-R598 VanDerWaalsContact O-CG 3.3Å; R594-R598 WeakPolarHBondContact O-CG 3.3Å; R594-R598 PolarHBondContact O-N 3.05Å; V595-R598 PolarHBondContact O-N 3.14Å; I596-R598 VanDerWaalsContact C-N 3.29Å; I596-R598 PolarHBondContact O-N 3.36Å; R598-N600 VanDerWaalsContact C-N 3.35Å; R598-N600 PolarHBondContact O-N 3.38Å; R598-M601 PolarHBondContact O-N 3.33Å; R598-I602 VanDerWaalsContact O-CG1 3.3Å; R598-I602 WeakPolarHBondContact O-CG1 3.3Å; R598-I602 PolarHBondContact O-N 3.15Å
599K93.2Very high90Very high92 Ų9249.7 Ų49.740%0.424%0.244SC..Hα-helixtrans-58.9-47.3176.6-75.3-177174-173.70111.1V595 I596 M601 I602 A603 F625 L631V595-K599 HydrophobicContact CG1-CD 4.25Å; V595-K599 HydrophobicContact CG1-CG 4.46Å; V595-K599 WeakPolarHBondContact O-CG 3.27Å; V595-K599 PolarHBondContact O-N 2.97Å; I596-K599 PolarHBondContact O-N 3.01Å; K599-M601 PolarHBondContact O-N 3.01Å; K599-I602 PolarHBondContact O-N 3.38Å; K599-A603 PolarHBondContact O-N 3.49Å; K599-F625 HydrophobicContact CD-CZ 4.33Å; K599-F625 VanDerWaalsContact NZ-CE2 3.29Å; K599-L631 HydrophobicContact CB-CD2 3.98Å; K599-L631 HydrophobicContact CD-CD1 4.36Å; K599-L631 HydrophobicContact CD-CD2 3.98Å
600N94.6Very high89.8Confident1 Ų149.9 Ų49.91%0.00524%0.24CC..Hα-helixtrans-65.7-36.9178.4-73.4-17000112.6Y495 L573 I596 C597 R598 A603 A604 P630 L631 I632Y495-N600 VanDerWaalsContact CE1-ND2 3.35Å; Y495-N600 WeakPolarHBondContact CE1-ND2 3.47Å; Y495-N600 PolarHBondContact OH-ND2 3.48Å; L573-N600 HydrophobicContact CD1-CB 4.13Å; L573-N600 HydrophobicContact CD2-CB 4.14Å; I596-N600 WeakPolarHBondContact CG2-ND2 3.33Å; I596-N600 WeakPolarHBondContact O-CB 3.35Å; I596-N600 PolarHBondContact O-N 3.47Å; C597-N600 PolarHBondContact O-N 3.33Å; R598-N600 VanDerWaalsContact C-N 3.35Å; R598-N600 PolarHBondContact O-N 3.38Å; N600-A603 PolarHBondContact O-N 3.49Å; N600-A604 WeakPolarHBondContact O-CB 3.26Å; N600-A604 PolarHBondContact O-N 2.78Å; N600-P630 PolarHBondContact ND2-O 3.12Å; N600-L631 VanDerWaalsContact OD1-CA 3.26Å; N600-L631 WeakPolarHBondContact OD1-CA 3.43Å; N600-I632 HydrophobicContact CB-CD1 3.9Å; N600-I632 HydrophobicContact CB-CG1 4.25Å; N600-I632 PolarHBondContact OD1-N 2.96Å
601M94.5Very high88.8Confident29 Ų2952 Ų5214%0.14326%0.255CS..Hα-helixtrans-64.4-43.4175.3-174.5-179.965.700111.4L573 N574 C597 R598 K599 A604 Q605L573-M601 HydrophobicContact CB-CB 4Å; L573-M601 HydrophobicContact CB-CG 4.3Å; L573-M601 HydrophobicContact CD1-CB 4.42Å; N574-M601 HydrophobicContact CB-SD 4.05Å; C597-M601 VanDerWaalsContact O-CB 3.25Å; C597-M601 WeakPolarHBondContact O-CB 3.48Å; C597-M601 PolarHBondContact O-N 3.37Å; R598-M601 PolarHBondContact O-N 3.33Å; K599-M601 PolarHBondContact O-N 3.01Å; M601-A604 PolarHBondContact O-N 3.34Å; M601-Q605 WeakPolarHBondContact O-CB 3.2Å; M601-Q605 VanDerWaalsContact O-CG 3.26Å; M601-Q605 WeakPolarHBondContact O-CG 3.32Å; M601-Q605 PolarHBondContact O-N 3.34Å
602I92.7Very high88Confident94 Ų9458.4 Ų58.448%0.48227%0.274SS..Hα-helixtrans-62.4-47.8176.6-67.6164.3000110R598 K599 A604 Q605 L606R598-I602 VanDerWaalsContact O-CG1 3.3Å; R598-I602 WeakPolarHBondContact O-CG1 3.3Å; R598-I602 PolarHBondContact O-N 3.15Å; K599-I602 PolarHBondContact O-N 3.38Å; I602-A604 VanDerWaalsContact C-N 3.34Å; I602-A604 PolarHBondContact O-N 2.95Å; I602-Q605 PolarHBondContact O-N 3.27Å; I602-Q605 VanDerWaalsContact O-N 3.16Å; I602-L606 HydrophobicContact CG2-CD1 4.14Å; I602-L606 HydrophobicContact CG2-CG 4.44Å; I602-L606 WeakPolarHBondContact O-CG 3.28Å; I602-L606 PolarHBondContact O-N 3.11Å
603A90.9Very high87.5Confident9 Ų959.4 Ų59.47%0.07428%0.281CS..Hα-helixtrans-57.1-46.2177.100000112K599 N600 Q605 L606 L607 I632 V634K599-A603 PolarHBondContact O-N 3.49Å; N600-A603 PolarHBondContact O-N 3.49Å; A603-Q605 PolarHBondContact O-N 3.25Å; A603-L606 PolarHBondContact O-N 2.97Å; A603-L607 WeakPolarHBondContact O-CG 3.13Å; A603-L607 PolarHBondContact O-N 3.25Å; A603-I632 HydrophobicContact CB-CB 3.95Å; A603-I632 HydrophobicContact CB-CG2 4.06Å; A603-V634 HydrophobicContact CB-CG1 4.17Å
604A90.7Very high86.9Confident0 Ų059.7 Ų59.70%028%0.282CS..Hα-helixtrans-67-34.5177.100000113.1V566 V570 L573 N600 M601 I602 M608 I632V566-A604 HydrophobicContact CG1-CB 4.25Å; V566-A604 VanDerWaalsContact CG1-O 3.29Å; V566-A604 WeakPolarHBondContact CG1-O 3.27Å; V570-A604 HydrophobicContact CG2-CB 3.52Å; L573-A604 HydrophobicContact CD1-CB 4.28Å; N600-A604 WeakPolarHBondContact O-CB 3.26Å; N600-A604 PolarHBondContact O-N 2.78Å; M601-A604 PolarHBondContact O-N 3.34Å; I602-A604 VanDerWaalsContact C-N 3.34Å; I602-A604 PolarHBondContact O-N 2.95Å; A604-M608 WeakPolarHBondContact O-CG 3.36Å; A604-M608 PolarHBondContact O-N 3.32Å; A604-I632 HydrophobicContact CB-CD1 4.49Å
605Q90.9Very high86.3Confident68 Ų6864 Ų6432%0.31830%0.298SS..Hα-helixtrans-69.3-36.3174.3-76.6176.8-3.400112.8V570 M601 I602 A603 L607 M608 K609V570-Q605 HydrophobicContact CG1-CG 3.8Å; V570-Q605 HydrophobicContact CG2-CG 4.04Å; M601-Q605 WeakPolarHBondContact O-CB 3.2Å; M601-Q605 VanDerWaalsContact O-CG 3.26Å; M601-Q605 WeakPolarHBondContact O-CG 3.32Å; M601-Q605 PolarHBondContact O-N 3.34Å; I602-Q605 PolarHBondContact O-N 3.27Å; I602-Q605 VanDerWaalsContact O-N 3.16Å; A603-Q605 PolarHBondContact O-N 3.25Å; Q605-L607 VanDerWaalsContact C-N 3.35Å; Q605-M608 WeakPolarHBondContact O-CB 3.4Å; Q605-M608 PolarHBondContact O-N 2.98Å; Q605-M608 VanDerWaalsContact O-N 3.17Å; Q605-K609 PolarHBondContact O-N 3.43Å
606L87.7Confident85.9Confident60 Ų6061.7 Ų61.731%0.31428%0.284SS..Hα-helixtrans-61.6-45174.3-72.8171.2000110.7I602 A603 M608 K609 E610 V614I602-L606 HydrophobicContact CG2-CD1 4.14Å; I602-L606 HydrophobicContact CG2-CG 4.44Å; I602-L606 WeakPolarHBondContact O-CG 3.28Å; I602-L606 PolarHBondContact O-N 3.11Å; A603-L606 PolarHBondContact O-N 2.97Å; L606-M608 PolarHBondContact O-N 3.35Å; L606-K609 PolarHBondContact O-N 2.91Å; L606-E610 PolarHBondContact O-N 3.49Å; L606-V614 HydrophobicContact CB-CG1 4.41Å
607L85.2Confident85.5Confident10 Ų1066.8 Ų66.85%0.05231%0.307CS..Hα-helixtrans-57.2-33.7173.5-69.5168.3000113V566 A603 Q605 V614 L616 V634V566-L607 HydrophobicContact CG1-CB 4.22Å; A603-L607 WeakPolarHBondContact O-CG 3.13Å; A603-L607 PolarHBondContact O-N 3.25Å; Q605-L607 VanDerWaalsContact C-N 3.35Å; L607-V614 HydrophobicContact CD2-CG1 3.91Å; L607-V614 HydrophobicContact CG-CG1 4.47Å; L607-L616 HydrophobicContact CD1-CB 4.18Å; L607-L616 HydrophobicContact CD1-CD1 3.77Å; L607-L616 HydrophobicContact CD1-CG 4.43Å; L607-L616 HydrophobicContact CD2-CB 3.82Å; L607-V634 HydrophobicContact CD1-CG1 3.81Å; L607-V634 HydrophobicContact CD2-CG1 3.87Å; L607-V634 HydrophobicContact CG-CG1 3.7Å
608M82.8Confident85.1Confident45 Ų4567.4 Ų67.422%0.22231%0.314CS..Hα-helixtrans-76.9-42.6177.8-71.9-176.659.500113.7H563 V566 R567 V570 A604 Q605 L606H563-M608 PolarHBondContact CE1-O 2.93Å; H563-M608 PolarHBondContact ND1-O 3.45Å; V566-M608 HydrophobicContact CB-CG 4.11Å; V566-M608 HydrophobicContact CG1-CG 3.58Å; V566-M608 HydrophobicContact CG1-SD 4.35Å; R567-M608 VanDerWaalsContact CA-SD 3.54Å; R567-M608 HydrophobicContact CB-CE 3.63Å; R567-M608 HydrophobicContact CB-SD 3.91Å; R567-M608 HydrophobicContact CG-CE 3.85Å; R567-M608 HydrophobicContact CG-SD 4.48Å; V570-M608 HydrophobicContact CB-SD 4.14Å; V570-M608 HydrophobicContact CG2-SD 3.67Å; A604-M608 WeakPolarHBondContact O-CG 3.36Å; A604-M608 PolarHBondContact O-N 3.32Å; Q605-M608 WeakPolarHBondContact O-CB 3.4Å; Q605-M608 PolarHBondContact O-N 2.98Å; Q605-M608 VanDerWaalsContact O-N 3.17Å; L606-M608 PolarHBondContact O-N 3.35Å
609K82.3Confident84.8Confident169 Ų16961.2 Ų61.274%0.73529%0.291SS*.Hα-helixtrans-82.2-37.7-172.2-73.3-177.2177.5-179.10112.4Q605 L606Q605-K609 PolarHBondContact O-N 3.43Å; L606-K609 PolarHBondContact O-N 2.91Å
610E79.9Confident84.2Confident88 Ų8863 Ų6341%0.41130%0.295SS..  trans-117.841.8-171.4-64.1-179.4-174.500110.5L606 K612 N613 V614L606-E610 PolarHBondContact O-N 3.49Å; E610-K612 PolarHBondContact O-N 2.78Å; E610-N613 HydrophobicContact CB-CB 4.45Å; E610-N613 CarbonylContact O-C 3.51Å; E610-N613 PolarHBondContact O-N 2.96Å; E610-V614 HydrophobicContact CB-CB 4.3Å; E610-V614 HydrophobicContact CB-CG2 3.59Å; E610-V614 WeakPolarHBondContact O-CB 3.5Å; E610-V614 PolarHBondContact O-N 3.41Å; E610-V614 WeakPolarHBondContact OE2-CG2 3.28Å
611S69.1Low83.4Confident53 Ų5364.2 Ų64.237%0.37130%0.301SS..THydrogen-bonded Turntrans-58.3-21.5-173.756.90000114.9H563H563-S611 VanDerWaalsContact CE1-CB 3.46Å; H563-S611 WeakPolarHBondContact CE1-CB 3.33Å; H563-S611 PolarHBondContact CE1-OG 2.7Å; H563-S611 VanDerWaalsContact CE1-OG 3.3Å; H563-S611 PolarHBondContact NE2-OG 2.83Å
612K71.2Confident82.2Confident179 Ų17965.5 Ų65.578%0.77831%0.308SS*.THydrogen-bonded Turntrans-77-34.5172.8-64.1-173.1177.8-1740113.2E610E610-K612 PolarHBondContact O-N 2.78Å
613N77.6Confident80.7Confident65 Ų6566 Ų6635%0.34831%0.312SS..THydrogen-bonded Turntrans-105.7-10.6-172.5-61.9-9.9000112.8E610 T636 V637E610-N613 HydrophobicContact CB-CB 4.45Å; E610-N613 CarbonylContact O-C 3.51Å; E610-N613 PolarHBondContact O-N 2.96Å; N613-T636 CarbonylContact O-C 3.11Å; N613-T636 VanDerWaalsContact O-CA 3.27Å; N613-T636 WeakPolarHBondContact O-CA 3.42Å; N613-V637 PolarHBondContact O-N 3.2Å
614V79.5Confident79.3Confident5 Ų573.3 Ų73.33%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-126.3120.7-175.8-176.40000109.3L606 L607 E610 V634 E635 T636L606-V614 HydrophobicContact CB-CG1 4.41Å; L607-V614 HydrophobicContact CD2-CG1 3.91Å; L607-V614 HydrophobicContact CG-CG1 4.47Å; E610-V614 HydrophobicContact CB-CB 4.3Å; E610-V614 HydrophobicContact CB-CG2 3.59Å; E610-V614 WeakPolarHBondContact O-CB 3.5Å; E610-V614 PolarHBondContact O-N 3.41Å; E610-V614 WeakPolarHBondContact OE2-CG2 3.28Å; V614-V634 HydrophobicContact CG1-CB 3.75Å; V614-V634 HydrophobicContact CG1-CG1 4.38Å; V614-V634 HydrophobicContact CG1-CG2 4.14Å; V614-E635 CarbonylContact C-O 3.58Å; V614-E635 VanDerWaalsContact CA-O 3.3Å; V614-E635 WeakPolarHBondContact CA-O 3.45Å; V614-T636 HydrophobicContact CG2-CG2 4.14Å
615R79.2Confident78.1Confident164 Ų16476.6 Ų76.662%0.61936%0.364SS*.EExtended strand (participates in β ladder)trans-106.3142.6175.9-68.3-177.4-179.9178.42.6110.4V634 E635 V637R615-V634 CarbonylContact O-C 3.53Å; R615-V634 WeakPolarHBondContact O-CA 3.2Å; R615-E635 PolarHBondContact N-O 3.38Å; R615-E635 PolarHBondContact O-N 3.01Å; R615-V637 HydrophobicContact CG-CG2 3.76Å
616L81.7Confident77.3Confident22 Ų2274.8 Ų74.812%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-73.7130.9172.517763.3000108.5I498 C501 L502 L507 L607 I632I498-L616 HydrophobicContact CG2-CD1 4.19Å; I498-L616 HydrophobicContact CG2-CD2 4.37Å; C501-L616 HydrophobicContact CB-CD2 4.07Å; L502-L616 HydrophobicContact CD2-CD1 4.14Å; L502-L616 HydrophobicContact CD2-CD2 3.46Å; L502-L616 VanDerWaalsContact CD2-CD2 3.46Å; L502-L616 HydrophobicContact CD2-CG 3.46Å; L502-L616 VanDerWaalsContact CD2-CG 3.46Å; L502-L616 HydrophobicContact CG-CD2 3.79Å; L502-L616 HydrophobicContact CG-CG 4.27Å; L507-L616 HydrophobicContact CD1-CB 4.33Å; L507-L616 HydrophobicContact CD1-CG 4.45Å; L507-L616 WeakPolarHBondContact CD1-O 3.36Å; L607-L616 HydrophobicContact CD1-CB 4.18Å; L607-L616 HydrophobicContact CD1-CD1 3.77Å; L607-L616 HydrophobicContact CD1-CG 4.43Å; L607-L616 HydrophobicContact CD2-CB 3.82Å; L616-I632 HydrophobicContact CD1-CG2 3.86Å
617Q83.2Confident76.7Confident107 Ų10772.7 Ų72.750%0.535%0.347SS..EExtended strand (participates in β ladder)trans-105.8-39.3-178.5-171.2-173.131.500112.3S633Q617-S633 PolarHBondContact N-O 2.94Å; Q617-S633 PolarHBondContact OE1-OG 3.37Å
618G85.3Confident76.8Confident13 Ų1372.4 Ų72.413%0.13435%0.346CS..EExtended strand (participates in β ladder)trans154-162.1-175.900000113.7S633G618-S633 PolarHBondContact N-O 3.49Å; G618-S633 PolarHBondContact O-N 2.88Å
619F87.8Confident77.1Confident12 Ų1270.7 Ų70.75%0.05334%0.337CS..EExtended strand (participates in β ladder)trans-102.5128.1170.7-70.3-64.7000110.3L421 Y425 Y495 I498 L502 P630 L631 I632L421-F619 HydrophobicContact CD1-CD2 4.12Å; Y425-F619 HydrophobicContact CE2-CE2 4.08Å; Y425-F619 HydrophobicContact CE2-CZ 4.29Å; Y495-F619 HydrophobicContact CD1-CE1 4.02Å; Y495-F619 HydrophobicContact CG-CE1 4.44Å; I498-F619 HydrophobicContact CB-CE1 4.44Å; I498-F619 HydrophobicContact CB-CZ 4.01Å; I498-F619 HydrophobicContact CG2-CE1 4.01Å; I498-F619 HydrophobicContact CG2-CZ 3.75Å; L502-F619 HydrophobicContact CD1-CD2 3.76Å; L502-F619 HydrophobicContact CD1-CE2 3.67Å; L502-F619 HydrophobicContact CD1-CZ 4.43Å; F619-P630 HydrophobicContact CB-CB 3.77Å; F619-P630 HydrophobicContact CB-CG 4.25Å; F619-P630 HydrophobicContact CD1-CB 3.83Å; F619-P630 HydrophobicContact CD1-CG 3.83Å; F619-P630 HydrophobicContact CE1-CG 4.43Å; F619-P630 HydrophobicContact CG-CB 4.09Å; F619-P630 HydrophobicContact CG-CG 4.13Å; F619-L631 WeakPolarHBondContact CA-O 3.4Å; F619-I632 HydrophobicContact CD1-CG1 4.39Å; F619-I632 HydrophobicContact CE1-CG1 4.02Å
620R82.5Confident77.5Confident131 Ų13162.7 Ų62.749%0.49430%0.303SS..EExtended strand (participates in β ladder)trans-94.1115.3170.9-168.8-172.4-66.7-142.6-2.5109.3D622 P630 L631R620-D622 WeakPolarHBondContact CD-OD1 3.44Å; R620-D622 WeakPolarHBondContact CD-OD2 3.35Å; R620-D622 WeakPolarHBondContact CG-OD1 3.38Å; R620-P630 WeakPolarHBondContact O-CA 3.29Å; R620-L631 HydrophobicContact CB-CB 4.45Å; R620-L631 PolarHBondContact N-O 3.49Å; R620-L631 PolarHBondContact O-N 3.43Å
621M76.6Confident78.1Confident26 Ų2659.8 Ų59.813%0.12829%0.289CS..  trans-100.481.7174.9-61.2-76.4-92.200107.5A627 P630M621-A627 WeakPolarHBondContact CE-O 3.35Å; M621-P630 HydrophobicContact CG-CB 4.34Å; M621-P630 HydrophobicContact SD-CB 3.47Å; M621-P630 WeakPolarHBondContact SD-CB 3.38Å; M621-P630 HydrophobicContact SD-CG 3.77Å
622D68.4Low79.1Confident56 Ų5657.7 Ų57.730%0.29927%0.274SS..  trans-84.2127.2177.7-72.8-22.8000110.2R620 D624 F625 H626R620-D622 WeakPolarHBondContact CD-OD1 3.44Å; R620-D622 WeakPolarHBondContact CD-OD2 3.35Å; R620-D622 WeakPolarHBondContact CG-OD1 3.38Å; D622-D624 PolarHBondContact O-N 2.93Å; D622-F625 HydrophobicContact CB-CB 4.29Å; D622-F625 PolarHBondContact O-N 3.45Å; D622-F625 VanDerWaalsContact O-N 3.1Å; D622-H626 PolarHBondContact O-N 3.36Å
623D61.7Low79.9Confident104 Ų10449.8 Ų49.856%0.55624%0.242SC*.THydrogen-bonded Turntrans-62.5-28.2173.5-64.5-40.6000111.7R414 F625R414-D623 IonicContact CZ-OD1 3.1Å; R414-D623 IonicContact CZ-OD2 2.69Å; R414-D623 IonicContact NH2-OD1 3.64Å; R414-D623 PolarHBondContact NH2-OD1 3.26Å; R414-D623 IonicContact NH2-OD2 3.99Å; R414-D623 PolarHBondContact NH2-OD2 3.45Å; D623-F625 PolarHBondContact O-N 2.98Å
624D61.9Low80.3Confident163 Ų16348.6 Ų48.687%0.87224%0.237SC*.THydrogen-bonded Turntrans-68.8-17.8176.1-66-31000113.6D622D622-D624 PolarHBondContact O-N 2.93Å
625F64.9Low80.5Confident69 Ų6953.7 Ų53.730%0.30326%0.26SS..THydrogen-bonded Turntrans-110.8-67-175-139.7-95.2000112.8V595 I596 K599 D622 D623 L631V595-F625 HydrophobicContact CG1-CE1 4.36Å; V595-F625 HydrophobicContact CG1-CZ 3.76Å; I596-F625 HydrophobicContact CD1-CD1 3.98Å; I596-F625 HydrophobicContact CD1-CE1 4.13Å; I596-F625 HydrophobicContact CG1-CD1 3.7Å; I596-F625 HydrophobicContact CG1-CE1 3.4Å; K599-F625 HydrophobicContact CD-CZ 4.33Å; K599-F625 VanDerWaalsContact NZ-CE2 3.29Å; D622-F625 HydrophobicContact CB-CB 4.29Å; D622-F625 PolarHBondContact O-N 3.45Å; D622-F625 VanDerWaalsContact O-N 3.1Å; D623-F625 PolarHBondContact O-N 2.98Å; F625-L631 HydrophobicContact CG-CD1 4.46Å
626H75Confident80.5Confident29 Ų2950.3 Ų50.313%0.13426%0.258CS..  trans-172.1128.4176-160.2-78.2000111.8M592 I596 D622 V628 F629M592-H626 WeakPolarHBondContact CE-CD2 3.45Å; M592-H626 HydrophobicContact SD-CB 4.44Å; I596-H626 HydrophobicContact CD1-CB 3.98Å; D622-H626 PolarHBondContact O-N 3.36Å; H626-V628 PolarHBondContact ND1-N 2.69Å; H626-V628 PolarHBondContact O-N 3.08Å; H626-F629 HydrophobicContact CB-CB 4.34Å; H626-F629 AromaticContact CE1-CD2 3.39Å; H626-F629 WeakPolarHBondContact CE1-CD2 3.49Å; H626-F629 AromaticContact CE1-CE2 3.71Å; H626-F629 AromaticContact CG-CD2 3.82Å; H626-F629 AromaticContact ND1-CD2 3.34Å; H626-F629 VanDerWaalsContact ND1-CD2 3.34Å; H626-F629 WeakPolarHBondContact ND1-CD2 3.35Å; H626-F629 PolarHBondContact ND1-N 3.42Å; H626-F629 AromaticContact NE2-CD2 3.85Å
627A75.8Confident80.1Confident16 Ų1651.7 Ų51.713%0.13227%0.267CS..SBendtrans-68.7-29.3-176.800000114.5M621M621-A627 WeakPolarHBondContact CE-O 3.35Å
628V86.5Confident79Confident5 Ų557.1 Ų57.13%0.0328%0.283CS..SBendtrans-90.3-26-179.3-1750000114.5F408 L411 S412 F492 H626 P630F408-V628 HydrophobicContact CB-CG2 4.34Å; F408-V628 HydrophobicContact CD1-CG1 3.81Å; F408-V628 HydrophobicContact CD2-CG1 4.38Å; F408-V628 HydrophobicContact CE1-CG1 4.03Å; F408-V628 HydrophobicContact CG-CG1 3.99Å; F408-V628 HydrophobicContact CZ-CG1 4.41Å; L411-V628 HydrophobicContact CB-CG1 4.49Å; L411-V628 HydrophobicContact CD1-CG1 3.95Å; S412-V628 WeakPolarHBondContact OG-CG2 3.11Å; F492-V628 HydrophobicContact CZ-CG1 4.06Å; H626-V628 PolarHBondContact ND1-N 2.69Å; H626-V628 PolarHBondContact O-N 3.08Å; V628-P630 VanDerWaalsContact O-CD 3.26Å; V628-P630 WeakPolarHBondContact O-CD 3.3Å
629F90Very high77.1Confident9 Ų964.4 Ų64.44%0.03931%0.313CS..SBendtrans-117.887-168.4-66.1-73.9000110.5F408 F488 I491 F492 Y495 L593 I596 H626F408-F629 HydrophobicContact CZ-CZ 4.48Å; F488-F629 HydrophobicContact CD1-CE1 4.13Å; F488-F629 AromaticContact CD1-CZ 3.99Å; F488-F629 HydrophobicContact CD1-CZ 3.99Å; F488-F629 HydrophobicContact CE1-CE1 4.12Å; F488-F629 HydrophobicContact CE1-CE2 4.46Å; F488-F629 AromaticContact CE1-CZ 3.54Å; F488-F629 HydrophobicContact CE1-CZ 3.54Å; F488-F629 HydrophobicContact CZ-CZ 4.23Å; I491-F629 HydrophobicContact CG2-CD1 4.1Å; I491-F629 HydrophobicContact CG2-CE1 4.37Å; F492-F629 HydrophobicContact CE1-CD1 4.45Å; F492-F629 HydrophobicContact CE1-CE1 4.3Å; F492-F629 HydrophobicContact CE2-CD1 4.44Å; F492-F629 AromaticContact CE2-CE1 3.57Å; F492-F629 HydrophobicContact CE2-CE1 3.57Å; F492-F629 HydrophobicContact CE2-CZ 4.2Å; F492-F629 AromaticContact CZ-CD1 3.96Å; F492-F629 HydrophobicContact CZ-CD1 3.96Å; F492-F629 AromaticContact CZ-CE1 3.41Å; F492-F629 HydrophobicContact CZ-CE1 3.41Å; F492-F629 VanDerWaalsContact CZ-CE1 3.41Å; F492-F629 HydrophobicContact CZ-CZ 4.07Å; Y495-F629 HydrophobicContact CE2-CD1 4.25Å; L593-F629 HydrophobicContact CD2-CD1 4.11Å; L593-F629 HydrophobicContact CD2-CD2 3.71Å; L593-F629 HydrophobicContact CD2-CE1 3.95Å; L593-F629 HydrophobicContact CD2-CE2 3.6Å; L593-F629 HydrophobicContact CD2-CG 4.02Å; L593-F629 HydrophobicContact CD2-CZ 3.73Å; I596-F629 HydrophobicContact CD1-CB 3.55Å; I596-F629 HydrophobicContact CD1-CG 4.36Å; I596-F629 HydrophobicContact CG2-CB 4.22Å; H626-F629 HydrophobicContact CB-CB 4.34Å; H626-F629 AromaticContact CE1-CD2 3.39Å; H626-F629 WeakPolarHBondContact CE1-CD2 3.49Å; H626-F629 AromaticContact CE1-CE2 3.71Å; H626-F629 AromaticContact CG-CD2 3.82Å; H626-F629 AromaticContact ND1-CD2 3.34Å; H626-F629 VanDerWaalsContact ND1-CD2 3.34Å; H626-F629 WeakPolarHBondContact ND1-CD2 3.35Å; H626-F629 PolarHBondContact ND1-N 3.42Å; H626-F629 AromaticContact NE2-CD2 3.85Å
630P90.1Very high75Confident1 Ų169.1 Ų69.11%0.00635%0.347CS..PPolyproline II helixtrans-63.6158.2-176.617.5-27.6000113.9Y495 N600 F619 R620 M621 V628Y495-P630 HydrophobicContact CD2-CG 4.4Å; Y495-P630 HydrophobicContact CE2-CG 4.17Å; Y495-P630 PolarHBondContact OH-O 2.94Å; Y495-P630 VanDerWaalsContact OH-O 3.12Å; N600-P630 PolarHBondContact ND2-O 3.12Å; F619-P630 HydrophobicContact CB-CB 3.77Å; F619-P630 HydrophobicContact CB-CG 4.25Å; F619-P630 HydrophobicContact CD1-CB 3.83Å; F619-P630 HydrophobicContact CD1-CG 3.83Å; F619-P630 HydrophobicContact CE1-CG 4.43Å; F619-P630 HydrophobicContact CG-CB 4.09Å; F619-P630 HydrophobicContact CG-CG 4.13Å; R620-P630 WeakPolarHBondContact O-CA 3.29Å; M621-P630 HydrophobicContact CG-CB 4.34Å; M621-P630 HydrophobicContact SD-CB 3.47Å; M621-P630 WeakPolarHBondContact SD-CB 3.38Å; M621-P630 HydrophobicContact SD-CG 3.77Å; V628-P630 VanDerWaalsContact O-CD 3.26Å; V628-P630 WeakPolarHBondContact O-CD 3.3Å
631L91.3Very high72.7Confident26 Ų2666.8 Ų66.814%0.13637%0.365CS..EExtended strand (participates in β ladder)trans-91.7137.5164.7-63.4176.3000110.6I596 K599 N600 F619 R620 F625 S633I596-L631 HydrophobicContact CG2-CD2 4.38Å; K599-L631 HydrophobicContact CB-CD2 3.98Å; K599-L631 HydrophobicContact CD-CD1 4.36Å; K599-L631 HydrophobicContact CD-CD2 3.98Å; N600-L631 VanDerWaalsContact OD1-CA 3.26Å; N600-L631 WeakPolarHBondContact OD1-CA 3.43Å; F619-L631 WeakPolarHBondContact CA-O 3.4Å; R620-L631 HydrophobicContact CB-CB 4.45Å; R620-L631 PolarHBondContact N-O 3.49Å; R620-L631 PolarHBondContact O-N 3.43Å; F625-L631 HydrophobicContact CG-CD1 4.46Å; L631-S633 PolarHBondContact O-N 3.42Å
632I90.5Very high70.8Confident10 Ų1069.7 Ų69.75%0.05139%0.392CS..EExtended strand (participates in β ladder)trans-73.2117.2172.2-60.9169.5000107.8I498 L573 N600 A603 A604 L616 F619 V634I498-I632 HydrophobicContact CD1-CD1 4.38Å; I498-I632 HydrophobicContact CG1-CD1 3.89Å; I498-I632 HydrophobicContact CG2-CD1 4.44Å; I498-I632 HydrophobicContact CG2-CG1 4.4Å; I498-I632 HydrophobicContact CG2-CG2 4.41Å; L573-I632 HydrophobicContact CD1-CD1 4.45Å; N600-I632 HydrophobicContact CB-CD1 3.9Å; N600-I632 HydrophobicContact CB-CG1 4.25Å; N600-I632 PolarHBondContact OD1-N 2.96Å; A603-I632 HydrophobicContact CB-CB 3.95Å; A603-I632 HydrophobicContact CB-CG2 4.06Å; A604-I632 HydrophobicContact CB-CD1 4.49Å; L616-I632 HydrophobicContact CD1-CG2 3.86Å; F619-I632 HydrophobicContact CD1-CG1 4.39Å; F619-I632 HydrophobicContact CE1-CG1 4.02Å; I632-V634 HydrophobicContact CG2-CG1 4.24Å
633S88.1Confident69.2Low13 Ų1374.3 Ų74.39%0.09142%0.417CS..EExtended strand (participates in β ladder)trans-91.5130.2177.9-159.10000110.5Q617 G618 L631Q617-S633 PolarHBondContact N-O 2.94Å; Q617-S633 PolarHBondContact OE1-OG 3.37Å; G618-S633 PolarHBondContact N-O 3.49Å; G618-S633 PolarHBondContact O-N 2.88Å; L631-S633 PolarHBondContact O-N 3.42Å
634V86.8Confident67.6Low40 Ų4078.7 Ų78.724%0.24243%0.434CS..EExtended strand (participates in β ladder)trans-129.7143.7178.6-59.80000109.5A603 L607 V614 R615 I632A603-V634 HydrophobicContact CB-CG1 4.17Å; L607-V634 HydrophobicContact CD1-CG1 3.81Å; L607-V634 HydrophobicContact CD2-CG1 3.87Å; L607-V634 HydrophobicContact CG-CG1 3.7Å; V614-V634 HydrophobicContact CG1-CB 3.75Å; V614-V634 HydrophobicContact CG1-CG1 4.38Å; V614-V634 HydrophobicContact CG1-CG2 4.14Å; R615-V634 CarbonylContact O-C 3.53Å; R615-V634 WeakPolarHBondContact O-CA 3.2Å; I632-V634 HydrophobicContact CG2-CG1 4.24Å
635E83.8Confident66.1Low111 Ų11176.3 Ų76.352%0.51943%0.426SS..EExtended strand (participates in β ladder)trans-113.5134.5179.6-176.3178-169.500110V614 R615V614-E635 CarbonylContact C-O 3.58Å; V614-E635 VanDerWaalsContact CA-O 3.3Å; V614-E635 WeakPolarHBondContact CA-O 3.45Å; R615-E635 PolarHBondContact N-O 3.38Å; R615-E635 PolarHBondContact O-N 3.01Å
636T78.1Confident64.5Low94 Ų9478.4 Ų78.458%0.57745%0.446SS*.EExtended strand (participates in β ladder)trans-91.2112.1174.546.10000110.8N613 V614 R638N613-T636 CarbonylContact O-C 3.11Å; N613-T636 VanDerWaalsContact O-CA 3.27Å; N613-T636 WeakPolarHBondContact O-CA 3.42Å; V614-T636 HydrophobicContact CG2-CG2 4.14Å; T636-R638 PolarHBondContact O-N 2.92Å
637V74.7Confident62.5Low50 Ų5080.7 Ų80.730%0.30347%0.471SS..  trans-74.5113168.7-173.20000108.1N613 R615N613-V637 PolarHBondContact O-N 3.2Å; R615-V637 HydrophobicContact CG-CG2 3.76Å
638R60.2Low60.2Low222 Ų22285.5 Ų85.584%0.83849%0.494SS*.  trans-81.7122.8169.1-67.6-178.6177.2174.4-0.8108.1T636 S640T636-R638 PolarHBondContact O-N 2.92Å; R638-S640 VanDerWaalsContact C-N 3.29Å; R638-S640 PolarHBondContact O-N 3.13Å
639E45.3Very low57.7Low166 Ų16691.3 Ų91.378%0.77652%0.524SS*.  trans-63.489.9167.5-72.9-17816800109.1
640S43.7Very low54.8Low110 Ų11098 Ų9877%0.76956%0.56SS**  trans-82.1104.9158.449.50000107.3R638 A642R638-S640 VanDerWaalsContact C-N 3.29Å; R638-S640 PolarHBondContact O-N 3.13Å; S640-A642 PolarHBondContact O-N 3Å; S640-A642 VanDerWaalsContact O-N 3.11Å
641G34.4Very low51.8Low83 Ų83103.6 Ų103.686%0.85659%0.59SS**SBendtrans-63.3108174.700000111.3
642A34.6Very low48.9Very low86 Ų86110.2 Ų110.271%0.71162%0.621SS**  trans159.578155.300000108S640S640-A642 PolarHBondContact O-N 3Å; S640-A642 VanDerWaalsContact O-N 3.11Å
643D35.1Very low46Very low153 Ų153114 Ų11482%0.81864%0.644SS**  trans173.895.2139.1-92.5-18.4000107.5T645D643-T645 PolarHBondContact O-N 3.04Å
644E29.5Very low43.3Very low196 Ų196119 Ų11992%0.91668%0.676SS**  trans-65.379.6163.8-68.2-178.4161.800108.9
645T29.6Very low40.8Very low114 Ų114120.9 Ų120.970%0.69969%0.688SS**  trans-119.1100.7146.951.90000106.1D643 A647D643-T645 PolarHBondContact O-N 3.04Å; T645-A647 VanDerWaalsContact C-N 3.27Å; T645-A647 PolarHBondContact O-N 3.32Å
646P30.9Very low38.4Very low112 Ų112120.5 Ų120.573%0.72769%0.693SS**  trans-59.4105.9160.925.6-28.5000104.8N648P646-N648 PolarHBondContact O-N 3.35Å
647A34.2Very low36.5Very low78 Ų78121.7 Ų121.765%0.64569%0.688SS**  trans-49.8114.1165.800000105.1T645 L649T645-A647 VanDerWaalsContact C-N 3.27Å; T645-A647 PolarHBondContact O-N 3.32Å; A647-L649 VanDerWaalsContact C-N 3.26Å; A647-L649 PolarHBondContact O-N 3.04Å
648N26.4Very low34.5Very low116 Ų116125.9 Ų125.962%0.6270%0.704SS**  trans-47.389.6-175.7-102.2-6.7000109.8P646 N650 D651P646-N648 PolarHBondContact O-N 3.35Å; N648-N650 PolarHBondContact O-N 2.94Å; N648-D651 HydrophobicContact CB-CB 4.49Å; N648-D651 PolarHBondContact ND2-OD2 3.19Å
649L35Very low33.2Very low128 Ų128124.1 Ų124.167%0.6770%0.697SS**THydrogen-bonded Turntrans-83.54.3174.5-85.7157.4000111.1A647A647-L649 VanDerWaalsContact C-N 3.26Å; A647-L649 PolarHBondContact O-N 3.04Å
650N28.1Very low32.7Very low149 Ų149120.5 Ų120.580%0.79768%0.683SS**THydrogen-bonded Turntrans-94.9-5.4170.9-81.7-4.4000114.2N648N648-N650 PolarHBondContact O-N 2.94Å
651D28.5Very low32.1Very low119 Ų119120.7 Ų120.764%0.63668%0.675SS**SBendtrans-105.510.7-177.6-81-26.6000115N648 T653N648-D651 HydrophobicContact CB-CB 4.49Å; N648-D651 PolarHBondContact ND2-OD2 3.19Å; D651-T653 PolarHBondContact O-N 3.48Å
652Q29.9Very low32Very low165 Ų165121.6 Ų121.677%0.77166%0.66SS**  trans-99.567.4162.9-66.5-169.64.900109.8
653T28.3Very low32Very low90 Ų90122.9 Ų122.955%0.55266%0.655SS**  trans-55.3133.616040.10000109.5D651 T655D651-T653 PolarHBondContact O-N 3.48Å; T653-T655 PolarHBondContact O-N 2.98Å; T653-T655 PolarHBondContact O-OG1 3.29Å
654P31.3Very low32Very low117 Ų117121.6 Ų121.676%0.7665%0.648SS**  trans-73.190.9-174.430.4-33.3000110.2
655T35Very low32Very low79 Ų79117.6 Ų117.649%0.48563%0.633SS.*  trans-118.322.8-164.243.30000115.5T653T653-T655 PolarHBondContact O-N 2.98Å; T653-T655 PolarHBondContact O-OG1 3.29Å
656V34.5Very low32.2Very low103 Ų103117.9 Ų117.962%0.62463%0.63SS**SBendtrans-103.8-32.9168.7-174.80000112.8R659V656-R659 PolarHBondContact O-N 3.24Å
657Y37.3Very low32.2Very low120 Ų120120.9 Ų120.947%0.47163%0.634SS.*Hα-helixtrans-83.4-26.2-176-72.1-78.1000114.5R659 L660 D661Y657-R659 PolarHBondContact O-N 3.11Å; Y657-L660 HydrophobicContact CD1-CD1 3.59Å; Y657-L660 HydrophobicContact CE1-CD1 3.78Å; Y657-L660 HydrophobicContact CG-CD1 4.48Å; Y657-L660 PolarHBondContact O-N 2.65Å; Y657-D661 PolarHBondContact O-N 3.12Å
658E32.1Very low32.1Very low138 Ų138122.3 Ų122.365%0.64564%0.639SS**Hα-helixtrans-63.7-22.8167.8-76.5-176.2164.200112.3N662E658-N662 PolarHBondContact O-N 3.44Å; E658-N662 PolarHBondContact O-ND2 3.25Å
659R33.8Very low32.3Very low185 Ų185121 Ų12170%0.69864%0.644SS**Hα-helixtrans-79.4-22.2173.2-69.8-175.6177178.30.2113.4V656 Y657 N663V656-R659 PolarHBondContact O-N 3.24Å; Y657-R659 PolarHBondContact O-N 3.11Å; R659-N663 WeakPolarHBondContact O-CB 3.32Å; R659-N663 VanDerWaalsContact O-CG 3.26Å; R659-N663 PolarHBondContact O-N 3.03Å; R659-N663 PolarHBondContact O-ND2 3.25Å
660L34.7Very low31.8Very low89 Ų89118.7 Ų118.747%0.46664%0.644SS.*Hα-helixtrans-78.8-36.9178.1-89.9151.2000112.2Y657 L664Y657-L660 HydrophobicContact CD1-CD1 3.59Å; Y657-L660 HydrophobicContact CE1-CD1 3.78Å; Y657-L660 HydrophobicContact CG-CD1 4.48Å; Y657-L660 PolarHBondContact O-N 2.65Å; L660-L664 WeakPolarHBondContact O-CG 3.43Å; L660-L664 PolarHBondContact O-N 3.04Å
661D31.7Very low31.9Very low115 Ų115118.3 Ų118.362%0.61565%0.647SS**Hα-helixtrans-73-34.9175.4-83.1-16.6000112.3Y657 L664Y657-D661 PolarHBondContact O-N 3.12Å; D661-L664 PolarHBondContact O-N 3.23Å
662N30.7Very low31.6Very low101 Ų101121.3 Ų121.354%0.5466%0.657SS.*Hα-helixtrans-72.2-37.1177.9-72.2-16.6000112.6E658 L664 N665 D666E658-N662 PolarHBondContact O-N 3.44Å; E658-N662 PolarHBondContact O-ND2 3.25Å; N662-L664 PolarHBondContact O-N 3.38Å; N662-N665 PolarHBondContact O-N 3.09Å; N662-D666 PolarHBondContact O-N 2.68Å
663N35.3Very low31.4Very low114 Ų114118.9 Ų118.961%0.6165%0.653SS**Hα-helixtrans-72.7-14.5178.1-74.9-5.9000113.8R659R659-N663 WeakPolarHBondContact O-CB 3.32Å; R659-N663 VanDerWaalsContact O-CG 3.26Å; R659-N663 PolarHBondContact O-N 3.03Å; R659-N663 PolarHBondContact O-ND2 3.25Å
664L34.6Very low31.1Very low126 Ų126122.4 Ų122.466%0.6666%0.663SS**Hα-helixtrans-88.8-20.8174.6-75.3167.9000113.1L660 D661 N662L660-L664 WeakPolarHBondContact O-CG 3.43Å; L660-L664 PolarHBondContact O-N 3.04Å; D661-L664 PolarHBondContact O-N 3.23Å; N662-L664 PolarHBondContact O-N 3.38Å
665N30.9Very low30.9Very low111 Ų111124.1 Ų124.159%0.59467%0.666SS**Hα-helixtrans-87.8-30.2176.9-75.7-25.1000112.8N662 E667 S668N662-N665 PolarHBondContact O-N 3.09Å; N665-E667 VanDerWaalsContact C-N 3.32Å; N665-E667 PolarHBondContact O-N 3.16Å; N665-S668 PolarHBondContact O-N 2.88Å; N665-S668 PolarHBondContact O-OG 2.77Å
666D33.5Very low30.4Very low120 Ų120124.5 Ų124.564%0.64267%0.672SS**G310 helixtrans-76.5-10.9-176.9-82.8-16.8000114.8N662 S668N662-D666 PolarHBondContact O-N 2.68Å; D666-S668 VanDerWaalsContact C-N 3.25Å; D666-S668 PolarHBondContact O-N 3.38Å
667E31Very low29.9Very low176 Ų176126.6 Ų126.682%0.82268%0.68SS**G310 helixtrans-81.42.1172.9-73.4-167.8162.800114N665N665-E667 VanDerWaalsContact C-N 3.32Å; N665-E667 PolarHBondContact O-N 3.16Å
668S31.9Very low29.4Very low107 Ų107132.6 Ų132.675%0.74870%0.702SS**G310 helixtrans-105.3-4.5177.765.90000115.4N665 D666N665-S668 PolarHBondContact O-N 2.88Å; N665-S668 PolarHBondContact O-OG 2.77Å; D666-S668 VanDerWaalsContact C-N 3.25Å; D666-S668 PolarHBondContact O-N 3.38Å
669A29.6Very low28.9Very low88 Ų88134.2 Ų134.273%0.72771%0.709SS**SBendtrans-118.89.5-172.600000115.7
670A25.3Very low28.6Very low80 Ų80132 Ų13266%0.66172%0.716SS**  trans-134.791.2177.700000111.2
671V30.7Very low28Very low142 Ų142134.8 Ų134.886%0.86173%0.731SS**  174.674.3128.31780000105.8
672E20.6Very low27.8Very low182 Ų182132.8 Ų132.885%0.8574%0.738SS**  trans-77.7161.2141.8-76.5-174.1153.400107.8
673V26.1Very low27.4Very low114 Ų114137.2 Ų137.269%0.69176%0.756SS**  trans106.894.2172.9-170.80000114.6
674E23Very low26.9Very low163 Ų163136.7 Ų136.776%0.76277%0.767SS**  trans70.1103.3136.6-63.1173.6177.400119.4
675N26.5Very low26.6Very low153 Ų153135.5 Ų135.582%0.81878%0.775SS**  -162.3124.793.1-103.9-45.7000114.1
676S23.9Very low26.2Very low88 Ų88134.5 Ų134.562%0.61578%0.783SS**  trans-64.5160.8169.849.60000114.5
677N23.8Very low26.3Very low146 Ų146134.3 Ų134.378%0.78179%0.788SS**  trans9597.8156.2-60.7-27000118.1
678R27.5Very low26Very low246 Ų246135.1 Ų135.193%0.92879%0.792SS**  -167.8117.197.3-101.2171176.8172.9-0.2112
679Q21.6Very low25.7Very low172 Ų172133.8 Ų133.880%0.80479%0.787SS**  trans-66.4152.3163-68.4167.4-4600111.4
680V27.9Very low25.4Very low138 Ų138136.7 Ų136.784%0.83679%0.786SS**  -177.596.1125172.80000105.2
681N22.6Very low25.5Very low148 Ų148142.3 Ų142.379%0.79179%0.79SS**  59.6123.492.5-80.31.4000117.1
682G26.8Very low25.2Very low74 Ų74141.8 Ų141.876%0.76378%0.782SS**  trans150.465.9172.500000109.9
683E22.7Very low25.3Very low193 Ų193140.3 Ų140.390%0.90278%0.775SS**  56.5126.586.7-89-171.2176.100117.4
684A24.4Very low25.4Very low104 Ų104142.9 Ų142.986%0.8678%0.78SS**  trans73.9131.2162.900000117.3
685A27.2Very low25.4Very low100 Ų100139.4 Ų139.483%0.82678%0.779SS**  cis-159.8151.49.800000109.9
686A23.2Very low25.5Very low91 Ų91141.4 Ų141.475%0.75278%0.781SS**  trans-80.9-172161.500000109.8
687P36.7Very low25.6Very low115 Ų115143.6 Ų143.675%0.74779%0.79SS**  cis-136.4175.9-6.339.8-22000113.7
688E24.9Very low25.6Very low194 Ų194141.4 Ų141.491%0.90778%0.784SS**  trans160.8140148.7-94.7172.3-161.200107.9
689A25Very low26Very low78 Ų78139.6 Ų139.665%0.64580%0.8SS**  cis-171.9147.1-21.300000103.8
690E23.2Very low26.2Very low149 Ų149138 Ų13870%0.69680%0.8SS**  trans59125.4142.7-72.6-176.5-158.900118.7
691R27.4Very low26.1Very low199 Ų199138 Ų13875%0.75180%0.798SS**  cis-170.4139.234.5-91.1146.6-162.7-151.26.3104.7
692D24.1Very low26.3Very low131 Ų131137.4 Ų137.470%0.70180%0.798SS**  46.2129.687.3-56.4-30.7000111.8
693E23.7Very low26.3Very low150 Ų150141.2 Ų141.270%0.70180%0.8SS**  cis177.7164.216.2-119171.3172.400105.5
694E26.6Very low26.5Very low168 Ų168137.9 Ų137.979%0.78579%0.794SS**  trans72.9104.4151.2-66.9173.317400119.2
695A24.2Very low26.6Very low91 Ų91140.2 Ų140.275%0.75279%0.789SS**  67104.772.400000114.8
696F27.7Very low26.6Very low194 Ų194143.1 Ų143.185%0.85179%0.787SS**  -175.6135.8126.2-132.6-107.5000114.2P698F696-P698 HydrophobicContact CE1-CG 4.48Å
697V25.5Very low26.9Very low135 Ų135147.1 Ų147.182%0.81879%0.789SS**  trans-127.2126.6167.4169.20000105.5
698P25.1Very low26Very low99 Ų99149.8 Ų149.864%0.64379%0.793SS**  -155170.397.238.9-17.9000112.8F696F696-P698 HydrophobicContact CE1-CG 4.48Å
699V35.3Very low26.2Very low209 Ų209145.7 Ų145.7100%1.26778%0.783SS**  cis-143.6026.4167.20000108.2

Retrieved 699 of 699 residues in 421.8 ms (Link to these results)

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