A0A077ZK87_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M72.7Confident85.1Confident147 Ų14787.2 Ų87.272%0.72445%0.445SS*.  0-48.80-75.8-65.6-89.900113K3 L4 V5 F65 I69M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.15Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 HydrophobicContact SD-CD1 3.7Å; M1-V5 PolarHBondContact O-N 2.91Å; M1-F65 HydrophobicContact CB-CE1 4.06Å; M1-F65 HydrophobicContact CE-CD1 4.05Å; M1-F65 HydrophobicContact CE-CE1 3.87Å; M1-F65 HydrophobicContact CG-CE1 4.34Å; M1-I69 HydrophobicContact CB-CD1 4.43Å
2E84.6Confident85.3Confident79 Ų7985.3 Ų85.337%0.36943%0.429SS..Hα-helixtrans-50.5-41.2176-68.2166.5-137.800113.3L4 V5 L6 I69 R72E2-L4 PolarHBondContact O-N 3.32Å; E2-V5 WeakPolarHBondContact O-CB 3.33Å; E2-V5 PolarHBondContact O-N 3.08Å; E2-L6 WeakPolarHBondContact O-CG 3.2Å; E2-L6 PolarHBondContact O-N 3.42Å; E2-I69 HydrophobicContact CB-CG2 4.41Å; E2-I69 HydrophobicContact CG-CD1 4.4Å; E2-I69 HydrophobicContact CG-CG2 3.88Å; E2-R72 IonicContact OE1-CZ 3.31Å; E2-R72 IonicContact OE1-NH1 2.79Å; E2-R72 IonicContact OE1-NH2 2.74Å; E2-R72 PolarHBondContact OE1-NH2 2.93Å; E2-R72 IonicContact OE2-NH2 2.6Å; E2-R72 PolarHBondContact OE2-NH2 2.89Å
3K86.8Confident85.7Confident173 Ų17387.6 Ų87.675%0.75245%0.45SS*.Hα-helixtrans-51.3-40.5173.6-64.8-176.1-179.8-179.90112.6M1 L6 T7M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-L6 PolarHBondContact O-N 3.03Å; K3-T7 WeakPolarHBondContact O-CB 3.39Å; K3-T7 VanDerWaalsContact O-CG2 3.23Å; K3-T7 WeakPolarHBondContact O-CG2 3.49Å; K3-T7 PolarHBondContact O-N 2.83Å; K3-T7 PolarHBondContact O-OG1 2.54Å; K3-T7 VanDerWaalsContact O-OG1 3.13Å
4L87.4Confident86Confident105 Ų10584.4 Ų84.455%0.5544%0.438SS..Hα-helixtrans-67.1-38.8179.3-64.7177000112.3M1 E2 T7M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 HydrophobicContact SD-CD1 3.7Å; E2-L4 PolarHBondContact O-N 3.32Å; L4-T7 VanDerWaalsContact C-OG1 3.27Å; L4-T7 VanDerWaalsContact CA-OG1 3.26Å; L4-T7 WeakPolarHBondContact CA-OG1 3.26Å; L4-T7 PolarHBondContact O-OG1 3.42Å
5V87.8Confident86.3Confident11 Ų1181.3 Ų81.37%0.06742%0.424CS..Hα-helixtrans-65.9-44.4175.3-176.10000109.9M1 E2 T7 K8 E66 I69 L70M1-V5 PolarHBondContact O-N 2.91Å; E2-V5 WeakPolarHBondContact O-CB 3.33Å; E2-V5 PolarHBondContact O-N 3.08Å; V5-T7 PolarHBondContact O-N 2.94Å; V5-K8 WeakPolarHBondContact O-CB 3.5Å; V5-K8 PolarHBondContact O-N 3.44Å; V5-E66 HydrophobicContact CG2-CB 4.07Å; V5-E66 HydrophobicContact CG2-CG 3.84Å; V5-I69 HydrophobicContact CB-CG2 4.34Å; V5-I69 HydrophobicContact CG1-CG2 4.46Å; V5-I69 HydrophobicContact CG2-CB 4.34Å; V5-I69 HydrophobicContact CG2-CD1 3.82Å; V5-I69 HydrophobicContact CG2-CG2 4.2Å; V5-L70 HydrophobicContact CG1-CD1 4.41Å; V5-L70 HydrophobicContact CG1-CD2 3.59Å; V5-L70 HydrophobicContact CG1-CG 3.78Å
6L86.4Confident86.2Confident37 Ų3781.6 Ų81.619%0.19443%0.431CS..Hα-helixtrans-70.5-29.1-179.3-64169.6000112.9E2 K3 K8 G9 L73 V90 I92E2-L6 WeakPolarHBondContact O-CG 3.2Å; E2-L6 PolarHBondContact O-N 3.42Å; K3-L6 PolarHBondContact O-N 3.03Å; L6-K8 PolarHBondContact O-N 3.35Å; L6-G9 PolarHBondContact O-N 2.7Å; L6-L73 HydrophobicContact CD2-CD1 4.04Å; L6-V90 HydrophobicContact CD2-CG1 4.12Å; L6-V90 WeakPolarHBondContact O-CG2 3.31Å; L6-I92 HydrophobicContact CD1-CD1 3.45Å; L6-I92 VanDerWaalsContact CD1-CD1 3.45Å; L6-I92 HydrophobicContact CD1-CG1 4.36Å; L6-I92 HydrophobicContact CD2-CD1 4.12Å; L6-I92 HydrophobicContact CG-CD1 4.43Å
7T86.9Confident86.1Confident103 Ų10384.2 Ų84.263%0.63244%0.437SS*.Hα-helixtrans-66.5-19175.645.40000113.5K3 L4 V5 G9K3-T7 WeakPolarHBondContact O-CB 3.39Å; K3-T7 VanDerWaalsContact O-CG2 3.23Å; K3-T7 WeakPolarHBondContact O-CG2 3.49Å; K3-T7 PolarHBondContact O-N 2.83Å; K3-T7 PolarHBondContact O-OG1 2.54Å; K3-T7 VanDerWaalsContact O-OG1 3.13Å; L4-T7 VanDerWaalsContact C-OG1 3.27Å; L4-T7 VanDerWaalsContact CA-OG1 3.26Å; L4-T7 WeakPolarHBondContact CA-OG1 3.26Å; L4-T7 PolarHBondContact O-OG1 3.42Å; V5-T7 PolarHBondContact O-N 2.94Å; T7-G9 PolarHBondContact O-N 3.13Å
8K86.4Confident86Confident68 Ų6891.7 Ų91.730%0.29646%0.459SS..THydrogen-bonded Turntrans-62.6-20.3170.8-62.5-177.4169.2-177.10112.1V5 L6 Y12 E66V5-K8 WeakPolarHBondContact O-CB 3.5Å; V5-K8 PolarHBondContact O-N 3.44Å; L6-K8 PolarHBondContact O-N 3.35Å; K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CB-CD2 4.05Å; K8-Y12 HydrophobicContact CB-CG 3.75Å; K8-Y12 HydrophobicContact CD-CD1 3.93Å; K8-Y12 HydrophobicContact CD-CD2 4.05Å; K8-Y12 HydrophobicContact CD-CE1 3.72Å; K8-Y12 HydrophobicContact CD-CE2 3.85Å; K8-Y12 HydrophobicContact CD-CG 4.07Å; K8-Y12 HydrophobicContact CG-CD2 4.49Å; K8-Y12 HydrophobicContact CG-CG 4.49Å; K8-Y12 PolarHBondContact NZ-OH 3.25Å; K8-E66 WeakPolarHBondContact CE-OE1 3.22Å; K8-E66 IonicContact NZ-OE1 3.28Å; K8-E66 PolarHBondContact NZ-OE1 3.11Å; K8-E66 IonicContact NZ-OE2 3.37Å; K8-E66 PolarHBondContact NZ-OE2 3.3Å
9G85.6Confident85.8Confident13 Ų1389.9 Ų89.913%0.13445%0.453CS..  trans82.6168.917600000113.6L6 T7 N11 Y12L6-G9 PolarHBondContact O-N 2.7Å; T7-G9 PolarHBondContact O-N 3.13Å; G9-N11 VanDerWaalsContact C-N 3.26Å; G9-N11 PolarHBondContact O-N 2.9Å; G9-Y12 WeakPolarHBondContact O-CB 3.31Å; G9-Y12 PolarHBondContact O-N 2.94Å
10L85.3Confident86Confident88 Ų8888.3 Ų88.346%0.46145%0.451SS..THydrogen-bonded Turntrans-73.7-14.5-178.5-70.1174.2000114.2Y12 T81 K83 V90L10-Y12 VanDerWaalsContact C-N 3.25Å; L10-T81 HydrophobicContact CD2-CG2 4.05Å; L10-K83 HydrophobicContact CD1-CB 3.82Å; L10-K83 HydrophobicContact CD1-CG 4.47Å; L10-V90 HydrophobicContact CD2-CG1 4.18Å; L10-V90 HydrophobicContact CD2-CG2 4.44Å; L10-V90 HydrophobicContact CG-CG1 4.34Å; L10-V90 HydrophobicContact CG-CG2 3.99Å
11N86.3Confident86.1Confident135 Ų13588.7 Ų88.772%0.72245%0.453SS*.THydrogen-bonded Turntrans-82.2-6.9174.9-64.9-17.9000112.3G9 V13G9-N11 VanDerWaalsContact C-N 3.26Å; G9-N11 PolarHBondContact O-N 2.9Å; N11-V13 PolarHBondContact O-N 2.61Å
12Y88.1Confident87Confident64 Ų6488.5 Ų88.525%0.25145%0.454SS..  trans-75.3117.7176.4-178.2-99.4000110K8 G9 L10 P14 N61 S62K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CB-CD2 4.05Å; K8-Y12 HydrophobicContact CB-CG 3.75Å; K8-Y12 HydrophobicContact CD-CD1 3.93Å; K8-Y12 HydrophobicContact CD-CD2 4.05Å; K8-Y12 HydrophobicContact CD-CE1 3.72Å; K8-Y12 HydrophobicContact CD-CE2 3.85Å; K8-Y12 HydrophobicContact CD-CG 4.07Å; K8-Y12 HydrophobicContact CG-CD2 4.49Å; K8-Y12 HydrophobicContact CG-CG 4.49Å; K8-Y12 PolarHBondContact NZ-OH 3.25Å; G9-Y12 WeakPolarHBondContact O-CB 3.31Å; G9-Y12 PolarHBondContact O-N 2.94Å; L10-Y12 VanDerWaalsContact C-N 3.25Å; Y12-P14 HydrophobicContact CD1-CG 4.35Å; Y12-P14 HydrophobicContact CE1-CG 4.26Å; Y12-P14 WeakPolarHBondContact O-CD 3.5Å; Y12-N61 PolarHBondContact OH-ND2 3.34Å; Y12-N61 PolarHBondContact OH-O 3.06Å; Y12-N61 PolarHBondContact OH-OD1 2.79Å; Y12-S62 VanDerWaalsContact CE1-OG 3.3Å; Y12-S62 WeakPolarHBondContact CE1-OG 3.38Å; Y12-S62 PolarHBondContact OH-OG 3.41Å
13V89.4Confident87.5Confident116 Ų11689 Ų8970%0.70346%0.46SS*.  trans-102.6111.9179.1-176.50000109.1N11 T15 N61N11-V13 PolarHBondContact O-N 2.61Å; V13-T15 PolarHBondContact O-N 3.31Å; V13-N61 PolarHBondContact O-ND2 3.25Å
14P89.9Confident87.7Confident43 Ų4383 Ų8328%0.27944%0.437SS..PPolyproline II helixtrans-63.9133.2175.3-2133.1000111.2Y12 T16 F67 L70Y12-P14 HydrophobicContact CD1-CG 4.35Å; Y12-P14 HydrophobicContact CE1-CG 4.26Å; Y12-P14 WeakPolarHBondContact O-CD 3.5Å; P14-T16 PolarHBondContact O-N 3.48Å; P14-F67 HydrophobicContact CB-CE1 3.63Å; P14-F67 HydrophobicContact CB-CZ 3.97Å; P14-L70 HydrophobicContact CG-CD1 3.74Å
15T90.7Very high88Confident38 Ų3881 Ų8123%0.23343%0.429CS..PPolyproline II helixtrans-63.1127.6177-52.30000109.9V13 P58 K59 N61 F67V13-T15 PolarHBondContact O-N 3.31Å; T15-P58 HydrophobicContact CG2-CB 3.91Å; T15-K59 PolarHBondContact OG1-O 3.23Å; T15-N61 PolarHBondContact N-OD1 3.14Å; T15-N61 PolarHBondContact OG1-OD1 3.47Å; T15-F67 WeakPolarHBondContact O-CZ 3.21Å
16T85.3Confident88.4Confident86 Ų8689.3 Ų89.353%0.52846%0.46SS..PPolyproline II helixtrans-70.6136.3177.452.80000110.9P14 R18 Y56P14-T16 PolarHBondContact O-N 3.48Å; T16-R18 VanDerWaalsContact C-N 3.26Å; T16-R18 PolarHBondContact O-N 3.36Å; T16-Y56 PolarHBondContact O-OH 3.13Å
17K83.6Confident88.8Confident125 Ų12592.8 Ų92.854%0.54348%0.478SS..SBendtrans-71.6-21.8177.8-65.5-174.6179.4-177.10113.6L60K17-L60 HydrophobicContact CG-CD2 4.17Å
18R84.1Confident89.2Confident219 Ų21989.5 Ų89.583%0.82646%0.458SS*.SBendtrans-137.5139.9-176.3-61.7-177.7-178.8-178.8-0.8108.7T16T16-R18 VanDerWaalsContact C-N 3.26Å; T16-R18 PolarHBondContact O-N 3.36Å
19V83.9Confident89.6Confident58 Ų5889.9 Ų89.935%0.35246%0.461SS..  trans-85.6132168.4-179.50000107.9I21 Y56V19-I21 PolarHBondContact O-N 3.2Å; V19-Y56 HydrophobicContact CG2-CD1 3.84Å; V19-Y56 HydrophobicContact CG2-CD2 3.47Å; V19-Y56 VanDerWaalsContact CG2-CD2 3.47Å; V19-Y56 HydrophobicContact CG2-CE1 3.73Å; V19-Y56 HydrophobicContact CG2-CE2 3.37Å; V19-Y56 HydrophobicContact CG2-CG 3.7Å; V19-Y56 VanDerWaalsContact CG2-CZ 3.47Å
20S88.7Confident90.1Very high58 Ų5892.8 Ų92.841%0.40648%0.484SS..  trans-79.987.5173.2-1770000109.4L22 N23 T24S20-L22 PolarHBondContact O-N 3.46Å; S20-N23 PolarHBondContact O-N 3.21Å; S20-N23 VanDerWaalsContact O-N 3.13Å; S20-N23 WeakPolarHBondContact OG-CB 3.5Å; S20-N23 VanDerWaalsContact OG-CG 3.31Å; S20-N23 PolarHBondContact OG-ND2 3.23Å; S20-N23 VanDerWaalsContact OG-ND2 3.11Å; S20-T24 PolarHBondContact O-N 2.89Å; S20-T24 PolarHBondContact O-OG1 2.85Å
21I89.2Confident90.5Very high96 Ų9692.1 Ų92.149%0.49249%0.491SS..Hα-helixtrans-53.8-45-179-62.2173000110.6V19 N23 T24 V25 L51V19-I21 PolarHBondContact O-N 3.2Å; I21-N23 PolarHBondContact O-N 3.3Å; I21-T24 WeakPolarHBondContact O-CB 3.34Å; I21-T24 PolarHBondContact O-N 3.01Å; I21-T24 VanDerWaalsContact O-N 3.15Å; I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CG2 3.49Å; I21-V25 PolarHBondContact O-N 3.16Å; I21-L51 HydrophobicContact CG2-CD1 4.32Å
22L91.2Very high90.9Very high144 Ų14486.3 Ų86.375%0.75446%0.46SS*.Hα-helixtrans-58.6-44.4178.8-67.5176000112.9S20 T24 V25 R26S20-L22 PolarHBondContact O-N 3.46Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-V25 PolarHBondContact O-N 3.26Å; L22-R26 VanDerWaalsContact O-CB 3.25Å; L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.19Å
23N93.9Very high91.1Very high89 Ų8991.1 Ų91.148%0.47648%0.484SS..Hα-helixtrans-67.7-38.3177.3-74.9-21.3000111.4S20 I21 R26 N27S20-N23 PolarHBondContact O-N 3.21Å; S20-N23 VanDerWaalsContact O-N 3.13Å; S20-N23 WeakPolarHBondContact OG-CB 3.5Å; S20-N23 VanDerWaalsContact OG-CG 3.31Å; S20-N23 PolarHBondContact OG-ND2 3.23Å; S20-N23 VanDerWaalsContact OG-ND2 3.11Å; I21-N23 PolarHBondContact O-N 3.3Å; N23-R26 PolarHBondContact O-N 3.43Å; N23-N27 VanDerWaalsContact O-CB 3.31Å; N23-N27 WeakPolarHBondContact O-CB 3.32Å; N23-N27 PolarHBondContact O-N 3.45Å; N23-N27 PolarHBondContact O-ND2 3.23Å
24T91.7Very high91.1Very high47 Ų4795.3 Ų95.329%0.28849%0.493SS..Hα-helixtrans-60.6-51.6175.1-56.70000110.9S20 I21 L22 R26 N27 V28S20-T24 PolarHBondContact O-N 2.89Å; S20-T24 PolarHBondContact O-OG1 2.85Å; I21-T24 WeakPolarHBondContact O-CB 3.34Å; I21-T24 PolarHBondContact O-N 3.01Å; I21-T24 VanDerWaalsContact O-N 3.15Å; L22-T24 VanDerWaalsContact C-N 3.34Å; T24-R26 PolarHBondContact O-N 3.07Å; T24-N27 PolarHBondContact O-N 3.18Å; T24-V28 HydrophobicContact CG2-CG2 4.45Å; T24-V28 WeakPolarHBondContact O-CB 3.37Å; T24-V28 VanDerWaalsContact O-CG2 3.29Å; T24-V28 WeakPolarHBondContact O-CG2 3.5Å; T24-V28 PolarHBondContact O-N 2.83Å
25V93.2Very high91.3Very high63 Ų6396.7 Ų96.738%0.38250%0.498SS..Hα-helixtrans-59.3-47.7177.8173.20000110.5I21 L22 N27 V28 E29 L51I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CG2 3.49Å; I21-V25 PolarHBondContact O-N 3.16Å; L22-V25 PolarHBondContact O-N 3.26Å; V25-N27 VanDerWaalsContact C-N 3.33Å; V25-N27 PolarHBondContact O-N 3.24Å; V25-V28 PolarHBondContact O-N 3.16Å; V25-E29 HydrophobicContact CG1-CG 4.25Å; V25-E29 WeakPolarHBondContact O-CB 3.46Å; V25-E29 WeakPolarHBondContact O-CG 3.46Å; V25-E29 PolarHBondContact O-N 2.92Å; V25-L51 HydrophobicContact CG2-CD1 4.42Å
26R95.9Very high91.5Very high186 Ų18699.5 Ų99.570%0.70251%0.511SS*.Hα-helixtrans-56.5-45.5177.2-178.9-179.4-179.7161.23.4112.4L22 N23 T24 A30L22-R26 VanDerWaalsContact O-CB 3.25Å; L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.19Å; N23-R26 PolarHBondContact O-N 3.43Å; T24-R26 PolarHBondContact O-N 3.07Å; R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.09Å; R26-A30 PolarHBondContact O-N 3.34Å
27N95.7Very high92Very high110 Ų110100.2 Ų100.259%0.58851%0.509SS*.Hα-helixtrans-68.5-39.7-179.3-70.6-19.4000111.7N23 T24 V25 A31N23-N27 VanDerWaalsContact O-CB 3.31Å; N23-N27 WeakPolarHBondContact O-CB 3.32Å; N23-N27 PolarHBondContact O-N 3.45Å; N23-N27 PolarHBondContact O-ND2 3.23Å; T24-N27 PolarHBondContact O-N 3.18Å; V25-N27 VanDerWaalsContact C-N 3.33Å; V25-N27 PolarHBondContact O-N 3.24Å; N27-A31 PolarHBondContact O-N 3.23Å; N27-A31 VanDerWaalsContact O-N 3.12Å
28V95.2Very high92.5Very high34 Ų3498.9 Ų98.921%0.20651%0.514CS..Hα-helixtrans-64.1-50.9175.8170.90000110T24 V25 A30 A31 L32 V47T24-V28 HydrophobicContact CG2-CG2 4.45Å; T24-V28 WeakPolarHBondContact O-CB 3.37Å; T24-V28 VanDerWaalsContact O-CG2 3.29Å; T24-V28 WeakPolarHBondContact O-CG2 3.5Å; T24-V28 PolarHBondContact O-N 2.83Å; V25-V28 PolarHBondContact O-N 3.16Å; V28-A30 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 3.06Å; V28-A31 CarbonylContact O-C 3.48Å; V28-A31 WeakPolarHBondContact O-CA 3.35Å; V28-A31 WeakPolarHBondContact O-CB 3.43Å; V28-A31 PolarHBondContact O-N 2.86Å; V28-L32 HydrophobicContact CG1-CD1 3.75Å; V28-L32 HydrophobicContact CG1-CG 4.11Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.41Å; V28-V47 HydrophobicContact CG1-CG2 4.42Å; V28-V47 HydrophobicContact CG2-CG1 4.47Å
29E95.3Very high93Very high75 Ų7594.3 Ų94.335%0.3550%0.5SS..Hα-helixtrans-60.6-40.4178.9-71.3-55147.600112.6V25 A31 L32 H33 R44V25-E29 HydrophobicContact CG1-CG 4.25Å; V25-E29 WeakPolarHBondContact O-CB 3.46Å; V25-E29 WeakPolarHBondContact O-CG 3.46Å; V25-E29 PolarHBondContact O-N 2.92Å; E29-A31 PolarHBondContact O-N 3.33Å; E29-L32 PolarHBondContact O-N 3.06Å; E29-H33 PolarHBondContact O-N 3.39Å; E29-H33 VanDerWaalsContact O-N 3.15Å; E29-R44 VanDerWaalsContact OE1-CD 3.26Å; E29-R44 WeakPolarHBondContact OE1-CD 3.45Å; E29-R44 WeakPolarHBondContact OE1-CG 3.49Å; E29-R44 IonicContact OE1-NE 3.53Å; E29-R44 PolarHBondContact OE1-NE 2.87Å; E29-R44 IonicContact OE2-NE 2.73Å; E29-R44 PolarHBondContact OE2-NE 3.3Å
30A95.5Very high93.6Very high74 Ų7491.6 Ų91.661%0.61248%0.484SS*.Hα-helixtrans-61.2-34.2174.400000112.6R26 V28R26-A30 VanDerWaalsContact O-CB 3.3Å; R26-A30 WeakPolarHBondContact O-CB 3.09Å; R26-A30 PolarHBondContact O-N 3.34Å; V28-A30 VanDerWaalsContact C-N 3.32Å; V28-A30 PolarHBondContact O-N 3.06Å
31A94.2Very high94Very high75 Ų7592.1 Ų92.162%0.6248%0.482SS*.Hα-helixtrans-76.3-33175.600000112.5N27 V28 E29N27-A31 PolarHBondContact O-N 3.23Å; N27-A31 VanDerWaalsContact O-N 3.12Å; V28-A31 CarbonylContact O-C 3.48Å; V28-A31 WeakPolarHBondContact O-CA 3.35Å; V28-A31 WeakPolarHBondContact O-CB 3.43Å; V28-A31 PolarHBondContact O-N 2.86Å; E29-A31 PolarHBondContact O-N 3.33Å
32L94.8Very high94.4Very high13 Ų1394.2 Ų94.27%0.06849%0.49CS..Hα-helixtrans-76.5-19.3-178.2-69-177.4000114.1V28 E29 K34 L35 A40 I43 R44V28-L32 HydrophobicContact CG1-CD1 3.75Å; V28-L32 HydrophobicContact CG1-CG 4.11Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.41Å; E29-L32 PolarHBondContact O-N 3.06Å; L32-K34 PolarHBondContact O-N 2.87Å; L32-L35 HydrophobicContact CD2-CD2 4.11Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-A40 HydrophobicContact CB-CB 4.2Å; L32-A40 HydrophobicContact CD1-CB 4.32Å; L32-A40 HydrophobicContact CD2-CB 4.29Å; L32-I43 HydrophobicContact CD1-CB 4.43Å; L32-I43 HydrophobicContact CD1-CG2 4.29Å; L32-I43 HydrophobicContact CD2-CB 4.05Å; L32-I43 HydrophobicContact CD2-CD1 3.68Å; L32-I43 HydrophobicContact CD2-CG1 4.47Å; L32-I43 HydrophobicContact CD2-CG2 4Å; L32-R44 HydrophobicContact CD1-CG 3.59Å
33H91.2Very high94.6Very high165 Ų16590.7 Ų90.776%0.76447%0.471SS*.THydrogen-bonded Turntrans-52-25.6-179.1-176.8-68.4000114.8E29E29-H33 PolarHBondContact O-N 3.39Å; E29-H33 VanDerWaalsContact O-N 3.15Å
34K90.9Very high94.7Very high203 Ų20389.2 Ų89.288%0.88346%0.459SS*.THydrogen-bonded Turntrans-97.6-1.5-178.4-64-177-179.9-179.30114.1L32L32-K34 PolarHBondContact O-N 2.87Å
35L93.5Very high94.9Very high73 Ų7390.5 Ų90.538%0.38247%0.468SS..SBendtrans-98.3157.9-173.9-16560.6000110.8L32 K39 I43L32-L35 HydrophobicContact CD2-CD2 4.11Å; L32-L35 PolarHBondContact O-N 3.38Å; L35-K39 HydrophobicContact CD1-CD 4.33Å; L35-K39 HydrophobicContact CD2-CB 3.73Å; L35-K39 HydrophobicContact CG-CB 3.94Å; L35-I43 HydrophobicContact CD2-CD1 3.66Å
36D95Very high95Very high97 Ų9790 Ų9052%0.51947%0.471SS..  trans-58.2139.6168.7177.273000111.2C38 K39 A40D36-C38 VanDerWaalsContact C-N 3.27Å; D36-C38 PolarHBondContact O-N 3.35Å; D36-C38 VanDerWaalsContact OD2-CB 3.32Å; D36-C38 WeakPolarHBondContact OD2-CB 3.29Å; D36-C38 PolarHBondContact OD2-N 3.02Å; D36-K39 PolarHBondContact O-N 3.13Å; D36-A40 WeakPolarHBondContact O-CB 3.4Å; D36-A40 PolarHBondContact O-N 3.28Å
37E94.6Very high94.9Very high100 Ų10083 Ų8347%0.46745%0.449SS..Hα-helixtrans-65.1-29.6-170.5-17554.6-153.600112.6N41 R44E37-N41 WeakPolarHBondContact O-CB 3.38Å; E37-N41 PolarHBondContact O-N 3.33Å; E37-N41 PolarHBondContact O-ND2 2.95Å; E37-N41 PolarHBondContact OE1-ND2 3.42Å; E37-R44 IonicContact OE1-CZ 3.05Å; E37-R44 IonicContact OE1-NH1 3.89Å; E37-R44 PolarHBondContact OE1-NH1 2.87Å; E37-R44 IonicContact OE1-NH2 3.69Å; E37-R44 PolarHBondContact OE1-NH2 3.36Å; E37-R44 IonicContact OE2-CZ 2.8Å; E37-R44 IonicContact OE2-NH1 3.5Å; E37-R44 IonicContact OE2-NH2 2.75Å; E37-R44 PolarHBondContact OE2-NH2 2.99Å
38C94.8Very high94.7Very high98 Ų9880.4 Ų80.466%0.66244%0.439SS*.Hα-helixtrans-67.5-46.8175.8-65.70000111D36 N41 E42D36-C38 VanDerWaalsContact C-N 3.27Å; D36-C38 PolarHBondContact O-N 3.35Å; D36-C38 VanDerWaalsContact OD2-CB 3.32Å; D36-C38 WeakPolarHBondContact OD2-CB 3.29Å; D36-C38 PolarHBondContact OD2-N 3.02Å; C38-N41 PolarHBondContact O-N 2.87Å; C38-E42 PolarHBondContact O-N 3.04Å
39K95.7Very high94.6Very high123 Ų12383.6 Ų83.654%0.53546%0.455SS..Hα-helixtrans-67.9-37.5177.1-67-178.2-179.7177.10112L35 D36 N41 E42 I43L35-K39 HydrophobicContact CD1-CD 4.33Å; L35-K39 HydrophobicContact CD2-CB 3.73Å; L35-K39 HydrophobicContact CG-CB 3.94Å; D36-K39 PolarHBondContact O-N 3.13Å; K39-N41 VanDerWaalsContact C-N 3.34Å; K39-E42 PolarHBondContact O-N 2.87Å; K39-I43 WeakPolarHBondContact O-CG1 3.37Å; K39-I43 PolarHBondContact O-N 2.89Å
40A96.5Very high94.4Very high0 Ų084.6 Ų84.60%047%0.466CS..Hα-helixtrans-60.4-46.5174.800000110.7L32 D36 E42 I43 R44L32-A40 HydrophobicContact CB-CB 4.2Å; L32-A40 HydrophobicContact CD1-CB 4.32Å; L32-A40 HydrophobicContact CD2-CB 4.29Å; D36-A40 WeakPolarHBondContact O-CB 3.4Å; D36-A40 PolarHBondContact O-N 3.28Å; A40-E42 PolarHBondContact O-N 3.41Å; A40-I43 PolarHBondContact O-N 3.39Å; A40-R44 WeakPolarHBondContact O-CG 3.37Å; A40-R44 PolarHBondContact O-N 2.84Å
41N96.4Very high94Very high70 Ų7083.6 Ų83.637%0.37445%0.45SS..Hα-helixtrans-59.7-43.4175.1-82.9-50.6000112.9E37 C38 K39 I43 R44 C45E37-N41 WeakPolarHBondContact O-CB 3.38Å; E37-N41 PolarHBondContact O-N 3.33Å; E37-N41 PolarHBondContact O-ND2 2.95Å; E37-N41 PolarHBondContact OE1-ND2 3.42Å; C38-N41 PolarHBondContact O-N 2.87Å; K39-N41 VanDerWaalsContact C-N 3.34Å; N41-I43 VanDerWaalsContact C-N 3.32Å; N41-I43 PolarHBondContact O-N 2.86Å; N41-R44 PolarHBondContact O-N 3.45Å; N41-R44 PolarHBondContact OD1-NH1 3.22Å; N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.12Å; N41-C45 PolarHBondContact O-SG 3Å; N41-C45 VanDerWaalsContact O-SG 3.38Å
42E96.7Very high93.7Very high140 Ų14086 Ų8665%0.65445%0.452SS*.Hα-helixtrans-57.6-45.3175.7-171.3-178.1-179.900111.7C38 K39 A40 C45 A46C38-E42 PolarHBondContact O-N 3.04Å; K39-E42 PolarHBondContact O-N 2.87Å; A40-E42 PolarHBondContact O-N 3.41Å; E42-C45 PolarHBondContact O-N 3.04Å; E42-A46 WeakPolarHBondContact O-CB 3.14Å; E42-A46 PolarHBondContact O-N 2.97Å
43I96.4Very high93.1Very high69 Ų6989.6 Ų89.635%0.35448%0.478SS..Hα-helixtrans-65.8-42.8176.6-64.5166.4000111.2L32 L35 K39 A40 N41 C45 A46 V47L32-I43 HydrophobicContact CD1-CB 4.43Å; L32-I43 HydrophobicContact CD1-CG2 4.29Å; L32-I43 HydrophobicContact CD2-CB 4.05Å; L32-I43 HydrophobicContact CD2-CD1 3.68Å; L32-I43 HydrophobicContact CD2-CG1 4.47Å; L32-I43 HydrophobicContact CD2-CG2 4Å; L35-I43 HydrophobicContact CD2-CD1 3.66Å; K39-I43 WeakPolarHBondContact O-CG1 3.37Å; K39-I43 PolarHBondContact O-N 2.89Å; A40-I43 PolarHBondContact O-N 3.39Å; N41-I43 VanDerWaalsContact C-N 3.32Å; N41-I43 PolarHBondContact O-N 2.86Å; I43-C45 VanDerWaalsContact C-N 3.33Å; I43-C45 PolarHBondContact O-N 2.7Å; I43-A46 PolarHBondContact O-N 3.43Å; I43-V47 HydrophobicContact CG2-CG2 4.13Å; I43-V47 WeakPolarHBondContact O-CB 3.37Å; I43-V47 VanDerWaalsContact O-CG2 3.31Å; I43-V47 WeakPolarHBondContact O-CG2 3.38Å; I43-V47 PolarHBondContact O-N 3.48Å
44R95.9Very high92.4Very high59 Ų5988.2 Ų88.222%0.22347%0.472CS..Hα-helixtrans-58-47.1175.9-70.4-179.2-155.9117.20.8110.8E29 L32 E37 A40 N41 V47 S48E29-R44 VanDerWaalsContact OE1-CD 3.26Å; E29-R44 WeakPolarHBondContact OE1-CD 3.45Å; E29-R44 WeakPolarHBondContact OE1-CG 3.49Å; E29-R44 IonicContact OE1-NE 3.53Å; E29-R44 PolarHBondContact OE1-NE 2.87Å; E29-R44 IonicContact OE2-NE 2.73Å; E29-R44 PolarHBondContact OE2-NE 3.3Å; L32-R44 HydrophobicContact CD1-CG 3.59Å; E37-R44 IonicContact OE1-CZ 3.05Å; E37-R44 IonicContact OE1-NH1 3.89Å; E37-R44 PolarHBondContact OE1-NH1 2.87Å; E37-R44 IonicContact OE1-NH2 3.69Å; E37-R44 PolarHBondContact OE1-NH2 3.36Å; E37-R44 IonicContact OE2-CZ 2.8Å; E37-R44 IonicContact OE2-NH1 3.5Å; E37-R44 IonicContact OE2-NH2 2.75Å; E37-R44 PolarHBondContact OE2-NH2 2.99Å; A40-R44 WeakPolarHBondContact O-CG 3.37Å; A40-R44 PolarHBondContact O-N 2.84Å; N41-R44 PolarHBondContact O-N 3.45Å; N41-R44 PolarHBondContact OD1-NH1 3.22Å; R44-V47 PolarHBondContact O-N 3.44Å; R44-S48 WeakPolarHBondContact O-CB 3.41Å; R44-S48 PolarHBondContact O-N 2.96Å
45C95.2Very high91.7Very high73 Ų7385 Ų8549%0.49346%0.462SS..Hα-helixtrans-60-47.3175.9-72.80000111.3N41 E42 I43 V47 S48 N49N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.12Å; N41-C45 PolarHBondContact O-SG 3Å; N41-C45 VanDerWaalsContact O-SG 3.38Å; E42-C45 PolarHBondContact O-N 3.04Å; I43-C45 VanDerWaalsContact C-N 3.33Å; I43-C45 PolarHBondContact O-N 2.7Å; C45-V47 PolarHBondContact O-N 3.24Å; C45-S48 PolarHBondContact O-N 3.46Å; C45-N49 VanDerWaalsContact O-CB 3.28Å; C45-N49 WeakPolarHBondContact O-CB 3.49Å; C45-N49 PolarHBondContact O-N 3.2Å; C45-N49 PolarHBondContact O-ND2 3.46Å
46A94.9Very high91.2Very high52 Ų5286.1 Ų86.143%0.4346%0.462SS..Hα-helixtrans-61.1-46.5178.600000112.4E42 I43 N49 V50E42-A46 WeakPolarHBondContact O-CB 3.14Å; E42-A46 PolarHBondContact O-N 2.97Å; I43-A46 PolarHBondContact O-N 3.43Å; A46-N49 PolarHBondContact O-N 2.88Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.36Å
47V93.9Very high90.6Very high40 Ų4089.4 Ų89.424%0.24247%0.474CS..Hα-helixtrans-65.2-45178.21720000110.9V28 I43 R44 C45 N49 V50 L51V28-V47 HydrophobicContact CG1-CG2 4.42Å; V28-V47 HydrophobicContact CG2-CG1 4.47Å; I43-V47 HydrophobicContact CG2-CG2 4.13Å; I43-V47 WeakPolarHBondContact O-CB 3.37Å; I43-V47 VanDerWaalsContact O-CG2 3.31Å; I43-V47 WeakPolarHBondContact O-CG2 3.38Å; I43-V47 PolarHBondContact O-N 3.48Å; R44-V47 PolarHBondContact O-N 3.44Å; C45-V47 PolarHBondContact O-N 3.24Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.05Å; V47-V50 PolarHBondContact O-N 3.34Å; V47-L51 HydrophobicContact CG1-CD1 3.76Å; V47-L51 HydrophobicContact CG1-CG 4.26Å; V47-L51 WeakPolarHBondContact O-CB 3.5Å; V47-L51 VanDerWaalsContact O-CG 3.27Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 2.95Å
48S92.6Very high90.1Very high55 Ų5586.3 Ų86.339%0.38546%0.463SS..Hα-helixtrans-59.2-45.9176.5-172.60000111R44 C45 V50 L51 L52R44-S48 WeakPolarHBondContact O-CB 3.41Å; R44-S48 PolarHBondContact O-N 2.96Å; C45-S48 PolarHBondContact O-N 3.46Å; S48-V50 PolarHBondContact O-N 3.17Å; S48-L51 PolarHBondContact O-N 3.06Å; S48-L52 WeakPolarHBondContact O-CB 3.18Å; S48-L52 VanDerWaalsContact O-CG 3.25Å; S48-L52 WeakPolarHBondContact O-CG 3.43Å; S48-L52 PolarHBondContact O-N 3.26Å
49N93.2Very high89.8Confident102 Ų10290.9 Ų90.955%0.54547%0.471SS..Hα-helixtrans-58.4-47.5176.2-72.9-16.6000111.1C45 A46 V47 L51 L52 S53C45-N49 VanDerWaalsContact O-CB 3.28Å; C45-N49 WeakPolarHBondContact O-CB 3.49Å; C45-N49 PolarHBondContact O-N 3.2Å; C45-N49 PolarHBondContact O-ND2 3.46Å; A46-N49 PolarHBondContact O-N 2.88Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.05Å; N49-L51 PolarHBondContact O-N 2.94Å; N49-L52 PolarHBondContact O-N 3.23Å; N49-S53 WeakPolarHBondContact O-CA 3.49Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 3.05Å; N49-S53 PolarHBondContact O-OG 3.18Å
50V90.9Very high89.4Confident95 Ų9588.8 Ų88.858%0.57647%0.465SS*.Hα-helixtrans-61.6-42.6177.3170.40000112.1A46 V47 S48 L52 Q54A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.36Å; V47-V50 PolarHBondContact O-N 3.34Å; S48-V50 PolarHBondContact O-N 3.17Å; V50-L52 VanDerWaalsContact C-N 3.35Å; V50-Q54 VanDerWaalsContact O-CB 3.24Å; V50-Q54 WeakPolarHBondContact O-CB 3.46Å; V50-Q54 PolarHBondContact O-N 2.87Å
51L87.8Confident89.2Confident54 Ų5491.9 Ų91.928%0.28348%0.482SS..Hα-helixtrans-69-32.5-179.2-70.3173.1000112.8I21 V25 V47 S48 N49I21-L51 HydrophobicContact CG2-CD1 4.32Å; V25-L51 HydrophobicContact CG2-CD1 4.42Å; V47-L51 HydrophobicContact CG1-CD1 3.76Å; V47-L51 HydrophobicContact CG1-CG 4.26Å; V47-L51 WeakPolarHBondContact O-CB 3.5Å; V47-L51 VanDerWaalsContact O-CG 3.27Å; V47-L51 WeakPolarHBondContact O-CG 3.47Å; V47-L51 PolarHBondContact O-N 2.95Å; S48-L51 PolarHBondContact O-N 3.06Å; N49-L51 PolarHBondContact O-N 2.94Å
52L86.3Confident88.8Confident125 Ų12588.9 Ų88.965%0.65447%0.466SS*.Hα-helixtrans-87.9-38.8-179.7-66.8174.1000112.7S48 N49 V50S48-L52 WeakPolarHBondContact O-CB 3.18Å; S48-L52 VanDerWaalsContact O-CG 3.25Å; S48-L52 WeakPolarHBondContact O-CG 3.43Å; S48-L52 PolarHBondContact O-N 3.26Å; N49-L52 PolarHBondContact O-N 3.23Å; V50-L52 VanDerWaalsContact C-N 3.35Å
53S83Confident88.5Confident88 Ų8885.6 Ų85.662%0.61546%0.456SS*.Hα-helixtrans-75.6-35.4-176.374.40000112.1N49N49-S53 WeakPolarHBondContact O-CA 3.49Å; N49-S53 WeakPolarHBondContact O-CB 3.37Å; N49-S53 PolarHBondContact O-N 3.05Å; N49-S53 PolarHBondContact O-OG 3.18Å
54Q76.6Confident88.2Confident137 Ų13787 Ų8764%0.6447%0.47SS*.SBendtrans-95.8103.8-173.9-159.779.3-14.900110.1V50 Y56V50-Q54 VanDerWaalsContact O-CB 3.24Å; V50-Q54 WeakPolarHBondContact O-CB 3.46Å; V50-Q54 PolarHBondContact O-N 2.87Å; Q54-Y56 PolarHBondContact O-N 3.41Å
55M76.6Confident87.9Confident136 Ų13689.2 Ų89.267%0.6748%0.481SS*.  trans-61113.2165.5-72.6-66.7102.300108.9Q57M55-Q57 PolarHBondContact O-N 3.03Å
56Y81.6Confident87.7Confident96 Ų9687.2 Ų87.238%0.37646%0.464SS..  trans-66.5104-178.7-178.7-109.8000110.6T16 V19 Q54 P58T16-Y56 PolarHBondContact O-OH 3.13Å; V19-Y56 HydrophobicContact CG2-CD1 3.84Å; V19-Y56 HydrophobicContact CG2-CD2 3.47Å; V19-Y56 VanDerWaalsContact CG2-CD2 3.47Å; V19-Y56 HydrophobicContact CG2-CE1 3.73Å; V19-Y56 HydrophobicContact CG2-CE2 3.37Å; V19-Y56 HydrophobicContact CG2-CG 3.7Å; V19-Y56 VanDerWaalsContact CG2-CZ 3.47Å; Q54-Y56 PolarHBondContact O-N 3.41Å; Y56-P58 HydrophobicContact CD1-CG 4.09Å; Y56-P58 HydrophobicContact CE1-CB 3.72Å; Y56-P58 HydrophobicContact CE1-CG 3.56Å; Y56-P58 HydrophobicContact CE2-CB 4.42Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å
57Q83.1Confident87.6Confident165 Ų16586.2 Ų86.277%0.77145%0.451SS*.  trans-115.487.4176.9-63.7-62.9-15.600109.2M55 K59M55-Q57 PolarHBondContact O-N 3.03Å; Q57-K59 PolarHBondContact O-N 3.43Å
58P83.5Confident87.5Confident36 Ų3689.7 Ų89.723%0.23446%0.464CS..  trans-71.3129.7-175.926.6-31.7000111.5T15 Y56 L60T15-P58 HydrophobicContact CG2-CB 3.91Å; Y56-P58 HydrophobicContact CD1-CG 4.09Å; Y56-P58 HydrophobicContact CE1-CB 3.72Å; Y56-P58 HydrophobicContact CE1-CG 3.56Å; Y56-P58 HydrophobicContact CE2-CB 4.42Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-L60 HydrophobicContact CG-CD2 4.46Å; P58-L60 PolarHBondContact O-N 3.5Å
59K88Confident87.4Confident193 Ų19387.3 Ų87.384%0.83945%0.447SS*.  trans-73.4105.2162.2-171.7174.4-178.5176.60108.7T15 Q57 N61T15-K59 PolarHBondContact OG1-O 3.23Å; Q57-K59 PolarHBondContact O-N 3.43Å; K59-N61 PolarHBondContact O-N 3.47Å
60L88.6Confident87.3Confident79 Ų7984.9 Ų84.941%0.41443%0.433SS..  trans-66.1126.8178.3-59.1-179.2000109.8K17 P58K17-L60 HydrophobicContact CG-CD2 4.17Å; P58-L60 HydrophobicContact CG-CD2 4.46Å; P58-L60 PolarHBondContact O-N 3.5Å
61N91.3Very high87.4Confident65 Ų6584.7 Ų84.735%0.34843%0.429SS..SBendtrans-89.9-10.8174.464.8-10.2000112.8Y12 V13 T15 K59Y12-N61 PolarHBondContact OH-ND2 3.34Å; Y12-N61 PolarHBondContact OH-O 3.06Å; Y12-N61 PolarHBondContact OH-OD1 2.79Å; V13-N61 PolarHBondContact O-ND2 3.25Å; T15-N61 PolarHBondContact N-OD1 3.14Å; T15-N61 PolarHBondContact OG1-OD1 3.47Å; K59-N61 PolarHBondContact O-N 3.47Å
62S89Confident87.7Confident7 Ų787.8 Ų87.85%0.04944%0.437CS..SBendtrans-125.5145.3-178.4-57.70000111.4Y12 E66Y12-S62 VanDerWaalsContact CE1-OG 3.3Å; Y12-S62 WeakPolarHBondContact CE1-OG 3.38Å; Y12-S62 PolarHBondContact OH-OG 3.41Å; S62-E66 WeakPolarHBondContact CA-OE2 3.11Å; S62-E66 WeakPolarHBondContact CB-OE2 3.32Å
63T90.8Very high87.9Confident72 Ų7282.9 Ų82.944%0.44241%0.411SS..  trans-75.7158.8176.277.20000110.9F65 E66 F67T63-F65 PolarHBondContact O-N 3Å; T63-E66 PolarHBondContact N-OE2 3.41Å; T63-E66 PolarHBondContact O-N 3.43Å; T63-E66 VanDerWaalsContact O-N 3.11Å; T63-E66 WeakPolarHBondContact OG1-CG 3.31Å; T63-E66 PolarHBondContact OG1-N 3.24Å; T63-F67 WeakPolarHBondContact O-CD2 3.47Å; T63-F67 PolarHBondContact O-N 2.84Å; T63-F67 VanDerWaalsContact O-N 3.1Å
64P88.8Confident88.3Confident98 Ų9887.1 Ų87.164%0.63642%0.419SS*.Hα-helixtrans-54.8-34.1175.4-26.635.4000113.3F67 H68P64-F67 PolarHBondContact O-N 2.92Å; P64-H68 PolarHBondContact O-N 3Å
65F90.1Very high89.1Confident106 Ų10688.2 Ų88.247%0.46543%0.426SS..Hα-helixtrans-70.4-39.7178.2-174.1-103.7000112.5M1 T63 F67 H68 I69M1-F65 HydrophobicContact CB-CE1 4.06Å; M1-F65 HydrophobicContact CE-CD1 4.05Å; M1-F65 HydrophobicContact CE-CE1 3.87Å; M1-F65 HydrophobicContact CG-CE1 4.34Å; T63-F65 PolarHBondContact O-N 3Å; F65-F67 VanDerWaalsContact C-N 3.32Å; F65-F67 PolarHBondContact O-N 3.47Å; F65-H68 WeakPolarHBondContact O-CB 3.26Å; F65-H68 PolarHBondContact O-N 3.39Å; F65-H68 VanDerWaalsContact O-N 3.16Å; F65-I69 HydrophobicContact CD1-CD1 3.8Å; F65-I69 HydrophobicContact CE1-CD1 3.42Å; F65-I69 VanDerWaalsContact CE1-CD1 3.42Å; F65-I69 HydrophobicContact CE1-CG1 4.22Å; F65-I69 HydrophobicContact CZ-CD1 4.09Å; F65-I69 HydrophobicContact CZ-CG1 4.5Å; F65-I69 PolarHBondContact O-N 3.1Å
66E92.1Very high89.9Confident30 Ų3084.9 Ų84.914%0.1441%0.411CS..Hα-helixtrans-63.4-40.4174-64.2-179.1138.300111.4V5 K8 S62 T63 H68 I69 L70V5-E66 HydrophobicContact CG2-CB 4.07Å; V5-E66 HydrophobicContact CG2-CG 3.84Å; K8-E66 WeakPolarHBondContact CE-OE1 3.22Å; K8-E66 IonicContact NZ-OE1 3.28Å; K8-E66 PolarHBondContact NZ-OE1 3.11Å; K8-E66 IonicContact NZ-OE2 3.37Å; K8-E66 PolarHBondContact NZ-OE2 3.3Å; S62-E66 WeakPolarHBondContact CA-OE2 3.11Å; S62-E66 WeakPolarHBondContact CB-OE2 3.32Å; T63-E66 PolarHBondContact N-OE2 3.41Å; T63-E66 PolarHBondContact O-N 3.43Å; T63-E66 VanDerWaalsContact O-N 3.11Å; T63-E66 WeakPolarHBondContact OG1-CG 3.31Å; T63-E66 PolarHBondContact OG1-N 3.24Å; E66-H68 VanDerWaalsContact C-N 3.3Å; E66-H68 PolarHBondContact O-N 3.38Å; E66-I69 PolarHBondContact O-N 2.99Å; E66-L70 WeakPolarHBondContact O-CG 3.47Å; E66-L70 PolarHBondContact O-N 3.32Å
67F90.9Very high90.4Very high32 Ų3285.7 Ų85.714%0.1443%0.426CS..Hα-helixtrans-60.2-40.5172.1-83.7-69000112.3P14 T15 T63 P64 F65 L70 N71P14-F67 HydrophobicContact CB-CE1 3.63Å; P14-F67 HydrophobicContact CB-CZ 3.97Å; T15-F67 WeakPolarHBondContact O-CZ 3.21Å; T63-F67 WeakPolarHBondContact O-CD2 3.47Å; T63-F67 PolarHBondContact O-N 2.84Å; T63-F67 VanDerWaalsContact O-N 3.1Å; P64-F67 PolarHBondContact O-N 2.92Å; F65-F67 VanDerWaalsContact C-N 3.32Å; F65-F67 PolarHBondContact O-N 3.47Å; F67-L70 PolarHBondContact O-N 3.32Å; F67-N71 VanDerWaalsContact O-CB 3.32Å; F67-N71 WeakPolarHBondContact O-CB 3.28Å; F67-N71 VanDerWaalsContact O-CG 3.22Å; F67-N71 PolarHBondContact O-N 3.03Å; F67-N71 PolarHBondContact O-ND2 3.4Å
68H92.2Very high90.8Very high113 Ų11380.5 Ų80.552%0.52341%0.408SS..Hα-helixtrans-60.9-44.8175.7179.179.3000111.5P64 F65 E66 N71 R72P64-H68 PolarHBondContact O-N 3Å; F65-H68 WeakPolarHBondContact O-CB 3.26Å; F65-H68 PolarHBondContact O-N 3.39Å; F65-H68 VanDerWaalsContact O-N 3.16Å; E66-H68 VanDerWaalsContact C-N 3.3Å; E66-H68 PolarHBondContact O-N 3.38Å; H68-N71 PolarHBondContact O-N 3.38Å; H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 PolarHBondContact O-N 2.67Å
69I91.9Very high91.2Very high5 Ų579.7 Ų79.73%0.02640%0.401CS..Hα-helixtrans-60.4-49.7175.1-69.2168.5000111.2M1 E2 V5 F65 E66 N71 R72 L73M1-I69 HydrophobicContact CB-CD1 4.43Å; E2-I69 HydrophobicContact CB-CG2 4.41Å; E2-I69 HydrophobicContact CG-CD1 4.4Å; E2-I69 HydrophobicContact CG-CG2 3.88Å; V5-I69 HydrophobicContact CB-CG2 4.34Å; V5-I69 HydrophobicContact CG1-CG2 4.46Å; V5-I69 HydrophobicContact CG2-CB 4.34Å; V5-I69 HydrophobicContact CG2-CD1 3.82Å; V5-I69 HydrophobicContact CG2-CG2 4.2Å; F65-I69 HydrophobicContact CD1-CD1 3.8Å; F65-I69 HydrophobicContact CE1-CD1 3.42Å; F65-I69 VanDerWaalsContact CE1-CD1 3.42Å; F65-I69 HydrophobicContact CE1-CG1 4.22Å; F65-I69 HydrophobicContact CZ-CD1 4.09Å; F65-I69 HydrophobicContact CZ-CG1 4.5Å; F65-I69 PolarHBondContact O-N 3.1Å; E66-I69 PolarHBondContact O-N 2.99Å; I69-N71 VanDerWaalsContact C-N 3.33Å; I69-N71 PolarHBondContact O-N 2.87Å; I69-R72 PolarHBondContact O-N 2.73Å; I69-L73 HydrophobicContact CG2-CD1 3.92Å; I69-L73 HydrophobicContact CG2-CG 4.36Å; I69-L73 WeakPolarHBondContact O-CG 3.23Å; I69-L73 PolarHBondContact O-N 2.86Å
70L91.2Very high91.2Very high50 Ų5073 Ų7326%0.26238%0.377SS..Hα-helixtrans-60.3-43179.9-71.7175.9000111.8V5 P14 E66 F67 L73 K74V5-L70 HydrophobicContact CG1-CD1 4.41Å; V5-L70 HydrophobicContact CG1-CD2 3.59Å; V5-L70 HydrophobicContact CG1-CG 3.78Å; P14-L70 HydrophobicContact CG-CD1 3.74Å; E66-L70 WeakPolarHBondContact O-CG 3.47Å; E66-L70 PolarHBondContact O-N 3.32Å; F67-L70 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.08Å; L70-K74 VanDerWaalsContact O-CB 3.27Å; L70-K74 WeakPolarHBondContact O-CB 3.48Å; L70-K74 PolarHBondContact O-N 3.19Å
71N91.6Very high91.2Very high91 Ų9172 Ų7249%0.48737%0.374SS..Hα-helixtrans-64.2-45.5176.7-74.1-19.5000110.9F67 H68 I69 L73 K74 M75F67-N71 VanDerWaalsContact O-CB 3.32Å; F67-N71 WeakPolarHBondContact O-CB 3.28Å; F67-N71 VanDerWaalsContact O-CG 3.22Å; F67-N71 PolarHBondContact O-N 3.03Å; F67-N71 PolarHBondContact O-ND2 3.4Å; H68-N71 PolarHBondContact O-N 3.38Å; I69-N71 VanDerWaalsContact C-N 3.33Å; I69-N71 PolarHBondContact O-N 2.87Å; N71-L73 PolarHBondContact O-N 3.21Å; N71-K74 WeakPolarHBondContact O-CB 3.44Å; N71-K74 PolarHBondContact O-N 3.37Å; N71-K74 VanDerWaalsContact O-N 3.1Å; N71-M75 VanDerWaalsContact O-CG 3.25Å; N71-M75 WeakPolarHBondContact O-CG 3.31Å; N71-M75 PolarHBondContact O-N 2.84Å
72R93.9Very high91Very high119 Ų11970.7 Ų70.745%0.44937%0.368SS..Hα-helixtrans-59.3-46.5177.9-167.7-174.368.3179.24.6111.7E2 H68 I69 K74 M75 D76E2-R72 IonicContact OE1-CZ 3.31Å; E2-R72 IonicContact OE1-NH1 2.79Å; E2-R72 IonicContact OE1-NH2 2.74Å; E2-R72 PolarHBondContact OE1-NH2 2.93Å; E2-R72 IonicContact OE2-NH2 2.6Å; E2-R72 PolarHBondContact OE2-NH2 2.89Å; H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 PolarHBondContact O-N 2.67Å; I69-R72 PolarHBondContact O-N 2.73Å; R72-K74 VanDerWaalsContact C-N 3.28Å; R72-K74 PolarHBondContact O-N 3.3Å; R72-M75 PolarHBondContact O-N 3.41Å; R72-D76 PolarHBondContact O-N 3.25Å; R72-D76 VanDerWaalsContact O-N 3.11Å
73L91.3Very high90.9Very high22 Ų2276.3 Ų76.312%0.11539%0.392CS..Hα-helixtrans-63.7-32.8175.5-68.9174.8000112.7L6 I69 L70 N71 I79 I92L6-L73 HydrophobicContact CD2-CD1 4.04Å; I69-L73 HydrophobicContact CG2-CD1 3.92Å; I69-L73 HydrophobicContact CG2-CG 4.36Å; I69-L73 WeakPolarHBondContact O-CG 3.23Å; I69-L73 PolarHBondContact O-N 2.86Å; L70-L73 PolarHBondContact O-N 3.08Å; N71-L73 PolarHBondContact O-N 3.21Å; L73-I79 HydrophobicContact CD2-CD1 3.73Å; L73-I92 HydrophobicContact CD1-CD1 4.47Å; L73-I92 HydrophobicContact CD2-CD1 4.16Å
74K90.6Very high90.5Very high178 Ų17873.6 Ų73.677%0.77438%0.377SS*.Hα-helixtrans-73.3-34.2176.4-175.3-179.2178.6-176.30112.6L70 N71 R72L70-K74 VanDerWaalsContact O-CB 3.27Å; L70-K74 WeakPolarHBondContact O-CB 3.48Å; L70-K74 PolarHBondContact O-N 3.19Å; N71-K74 WeakPolarHBondContact O-CB 3.44Å; N71-K74 PolarHBondContact O-N 3.37Å; N71-K74 VanDerWaalsContact O-N 3.1Å; R72-K74 VanDerWaalsContact C-N 3.28Å; R72-K74 PolarHBondContact O-N 3.3Å
75M93.4Very high90Very high159 Ų15972.1 Ų72.178%0.78336%0.364SS*.Hα-helixtrans-78.4-24.7179.4-64-150.786.200112.6N71 R72 T77N71-M75 VanDerWaalsContact O-CG 3.25Å; N71-M75 WeakPolarHBondContact O-CG 3.31Å; N71-M75 PolarHBondContact O-N 2.84Å; R72-M75 PolarHBondContact O-N 3.41Å; M75-T77 PolarHBondContact O-N 3.5Å; M75-T77 VanDerWaalsContact O-N 3.1Å
76D94Very high89.5Confident66 Ų6674.3 Ų74.335%0.35337%0.373SS..  trans-70.2105.1176.5-171.3-10.6000111R72 S78 I79R72-D76 PolarHBondContact O-N 3.25Å; R72-D76 VanDerWaalsContact O-N 3.11Å; D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 VanDerWaalsContact OD1-CB 3.27Å; D76-S78 WeakPolarHBondContact OD1-CB 3.45Å; D76-S78 PolarHBondContact OD1-N 3.4Å; D76-S78 PolarHBondContact OD1-OG 2.92Å; D76-S78 PolarHBondContact OD2-OG 3.46Å; D76-I79 HydrophobicContact CB-CD1 3.97Å; D76-I79 HydrophobicContact CB-CG1 3.88Å
77T91.3Very high88.7Confident114 Ų11475.7 Ų75.770%0.69940%0.396SS*.SBendtrans-80-1217958.10000112.9M75 K95M75-T77 PolarHBondContact O-N 3.5Å; M75-T77 VanDerWaalsContact O-N 3.1Å; T77-K95 VanDerWaalsContact O-CD 3.3Å; T77-K95 WeakPolarHBondContact O-CD 3.18Å; T77-K95 WeakPolarHBondContact O-CE 3.36Å; T77-K95 PolarHBondContact O-NZ 3Å
78S92.8Very high88.1Confident56 Ų5679.6 Ų79.639%0.39242%0.418SS..SBendtrans-76.7-24.9-179.5760000112.6D76 K95D76-S78 VanDerWaalsContact C-N 3.3Å; D76-S78 VanDerWaalsContact OD1-CB 3.27Å; D76-S78 WeakPolarHBondContact OD1-CB 3.45Å; D76-S78 PolarHBondContact OD1-N 3.4Å; D76-S78 PolarHBondContact OD1-OG 2.92Å; D76-S78 PolarHBondContact OD2-OG 3.46Å; S78-K95 WeakPolarHBondContact O-CB 3.46Å; S78-K95 WeakPolarHBondContact O-CG 3.3Å; S78-K95 PolarHBondContact O-N 3.34Å
79I91.3Very high87.7Confident18 Ų1876.5 Ų76.59%0.09241%0.412CS..EExtended strand (participates in β ladder)trans-103.2156.7-178.865.8175.6000112.5L73 D76 I92 I93 K95L73-I79 HydrophobicContact CD2-CD1 3.73Å; D76-I79 HydrophobicContact CB-CD1 3.97Å; D76-I79 HydrophobicContact CB-CG1 3.88Å; I79-I92 HydrophobicContact CB-CG2 3.94Å; I79-I92 HydrophobicContact CD1-CG2 4Å; I79-I92 HydrophobicContact CG1-CG2 4.49Å; I79-I92 HydrophobicContact CG2-CG2 4.14Å; I79-I93 CarbonylContact C-O 3.33Å; I79-I93 WeakPolarHBondContact CA-O 3.36Å; I79-K95 WeakPolarHBondContact O-CE 3.26Å; I79-K95 PolarHBondContact O-NZ 2.86Å
80T88.5Confident87.5Confident52 Ų5277.8 Ų77.832%0.31942%0.42SS..EExtended strand (participates in β ladder)trans-126131.5167.6-52.50000109.3T82 I93 K95T80-T82 HydrophobicContact CG2-CG2 3.92Å; T80-I93 PolarHBondContact N-O 2.85Å; T80-I93 PolarHBondContact O-N 3.12Å; T80-K95 WeakPolarHBondContact OG1-CE 3.26Å; T80-K95 WeakPolarHBondContact OG1-CG 3.17Å
81T88.3Confident87.2Confident58 Ų5876.9 Ų76.936%0.35642%0.416SS..EExtended strand (participates in β ladder)trans-96.2125.8173.6-54.10000109.3L10 V90L10-T81 HydrophobicContact CD2-CG2 4.05Å; T81-V90 HydrophobicContact CG2-CG1 3.3Å
82T87.2Confident87.1Confident38 Ų3875.3 Ų75.323%0.23341%0.407CS..EExtended strand (participates in β ladder)trans-134.8159.1179.260.70000111.5T80 V91T80-T82 HydrophobicContact CG2-CG2 3.92Å; T82-V91 PolarHBondContact N-O 2.99Å; T82-V91 PolarHBondContact O-N 3.28Å
83K86.2Confident86.8Confident125 Ų12570.4 Ų70.454%0.54339%0.39SS..EExtended strand (participates in β ladder)trans-70.2142.3170.1-165.4178.2177.2176.60109.5L10 S163L10-K83 HydrophobicContact CD1-CB 3.82Å; L10-K83 HydrophobicContact CD1-CG 4.47Å; K83-S163 PolarHBondContact O-OG 3.31Å
84A83.2Confident86.7Confident15 Ų1574 Ų7412%0.12441%0.409CS..  trans-64.8141.9169.100000111.1K86 A89 V91A84-K86 WeakPolarHBondContact CB-O 3.32Å; A84-K86 PolarHBondContact O-N 3.15Å; A84-A89 HydrophobicContact CB-CB 3.85Å; A84-A89 WeakPolarHBondContact CB-O 3.37Å; A84-A89 PolarHBondContact N-O 2.89Å; A84-V91 HydrophobicContact CB-CG2 3.77Å
85D78.3Confident86.5Confident67 Ų6769.8 Ų69.836%0.35839%0.391SS..SBendtrans-60.8-30.4172.2177.490.2000112.5S163 K164D85-S163 WeakPolarHBondContact CB-O 3.22Å; D85-K164 HydrophobicContact CB-CD 4.39Å; D85-K164 IonicContact OD1-NZ 3.67Å; D85-K164 PolarHBondContact OD1-NZ 3.17Å; D85-K164 IonicContact OD2-NZ 3.94Å; D85-K164 PolarHBondContact OD2-NZ 3.32Å
86K78.3Confident86Confident152 Ų15266.9 Ų66.966%0.66139%0.385SS*.SBendtrans-132.9136.1176.5-67.2-174.7178.7-176.60110.5A84A84-K86 WeakPolarHBondContact CB-O 3.32Å; A84-K86 PolarHBondContact O-N 3.15Å
87G76Confident85.4Confident60 Ų6066.5 Ų66.562%0.61939%0.386SS*.SBendtrans80.7160.1-178.400000113.3A89G87-A89 PolarHBondContact O-N 2.99Å
88N78.2Confident84.9Confident114 Ų11462.2 Ų62.261%0.6136%0.359SS*.SBendtrans-81.560.1174.3-170.637.8000110.5
89A83.4Confident84.2Confident48 Ų4861.7 Ų61.740%0.39736%0.358SS..  trans-116.1154.3-177.700000111.5A84 G87A84-A89 HydrophobicContact CB-CB 3.85Å; A84-A89 WeakPolarHBondContact CB-O 3.37Å; A84-A89 PolarHBondContact N-O 2.89Å; G87-A89 PolarHBondContact O-N 2.99Å
90V88Confident83.7Confident32 Ų3263.2 Ų63.219%0.19437%0.373CS..EExtended strand (participates in β ladder)trans-105.1128.6176.3-173.40000108.4L6 L10 T81L6-V90 HydrophobicContact CD2-CG1 4.12Å; L6-V90 WeakPolarHBondContact O-CG2 3.31Å; L10-V90 HydrophobicContact CD2-CG1 4.18Å; L10-V90 HydrophobicContact CD2-CG2 4.44Å; L10-V90 HydrophobicContact CG-CG1 4.34Å; L10-V90 HydrophobicContact CG-CG2 3.99Å; T81-V90 HydrophobicContact CG2-CG1 3.3Å
91V86.6Confident83.1Confident30 Ų3065.5 Ų65.518%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-111.4124.1178.9-171.10000108.8T82 A84 I93T82-V91 PolarHBondContact N-O 2.99Å; T82-V91 PolarHBondContact O-N 3.28Å; A84-V91 HydrophobicContact CB-CG2 3.77Å; V91-I93 HydrophobicContact CG1-CD1 4.1Å; V91-I93 HydrophobicContact CG1-CG1 3.66Å
92I89Confident82.6Confident59 Ų5964.6 Ų64.630%0.30337%0.369SS..EExtended strand (participates in β ladder)trans-99.1130.4170.5-61.3178000107.2L6 L73 I79L6-I92 HydrophobicContact CD1-CD1 3.45Å; L6-I92 VanDerWaalsContact CD1-CD1 3.45Å; L6-I92 HydrophobicContact CD1-CG1 4.36Å; L6-I92 HydrophobicContact CD2-CD1 4.12Å; L6-I92 HydrophobicContact CG-CD1 4.43Å; L73-I92 HydrophobicContact CD1-CD1 4.47Å; L73-I92 HydrophobicContact CD2-CD1 4.16Å; I79-I92 HydrophobicContact CB-CG2 3.94Å; I79-I92 HydrophobicContact CD1-CG2 4Å; I79-I92 HydrophobicContact CG1-CG2 4.49Å; I79-I92 HydrophobicContact CG2-CG2 4.14Å
93I86.6Confident82.1Confident16 Ų1670.4 Ų70.48%0.08239%0.391CS..EExtended strand (participates in β ladder)trans-135.8139.5-178.8-39.3169.1000110.6I79 T80 V91 I98I79-I93 CarbonylContact C-O 3.33Å; I79-I93 WeakPolarHBondContact CA-O 3.36Å; T80-I93 PolarHBondContact N-O 2.85Å; T80-I93 PolarHBondContact O-N 3.12Å; V91-I93 HydrophobicContact CG1-CD1 4.1Å; V91-I93 HydrophobicContact CG1-CG1 3.66Å; I93-I98 HydrophobicContact CB-CD1 3.91Å; I93-I98 HydrophobicContact CD1-CD1 4.13Å; I93-I98 HydrophobicContact CG2-CD1 3.37Å; I93-I98 HydrophobicContact CG2-CG1 4.07Å
94D88.6Confident81.5Confident96 Ų9670.7 Ų70.751%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-70.3132172.4-58-31.6000110.9P97D94-P97 HydrophobicContact CB-CG 3.99Å; D94-P97 WeakPolarHBondContact O-CD 3.41Å
95K86.6Confident80.6Confident90 Ų9073.7 Ų73.739%0.39142%0.417SS..Hα-helixtrans-69.8-36.4-179-72.1179.4-173.2157.20112.7T77 S78 I79 T80 I98 A99T77-K95 VanDerWaalsContact O-CD 3.3Å; T77-K95 WeakPolarHBondContact O-CD 3.18Å; T77-K95 WeakPolarHBondContact O-CE 3.36Å; T77-K95 PolarHBondContact O-NZ 3Å; S78-K95 WeakPolarHBondContact O-CB 3.46Å; S78-K95 WeakPolarHBondContact O-CG 3.3Å; S78-K95 PolarHBondContact O-N 3.34Å; I79-K95 WeakPolarHBondContact O-CE 3.26Å; I79-K95 PolarHBondContact O-NZ 2.86Å; T80-K95 WeakPolarHBondContact OG1-CE 3.26Å; T80-K95 WeakPolarHBondContact OG1-CG 3.17Å; K95-I98 PolarHBondContact O-N 3.1Å; K95-A99 WeakPolarHBondContact O-CB 3.28Å; K95-A99 PolarHBondContact O-N 3.37Å
96C84.7Confident79.8Confident98 Ų9873.4 Ų73.466%0.66242%0.421SS*.Hα-helixtrans-54.9-56.5-174.8-67.60000113.9I98 A99 A100C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 2.71Å; C96-A99 PolarHBondContact O-N 3.09Å; C96-A100 PolarHBondContact O-N 3.17Å
97P81.1Confident78.7Confident59 Ų5970.8 Ų70.838%0.38343%0.428SS..Hα-helixtrans-65.3-33.5-179.624.9-34.4000112.6D94 R101D94-P97 HydrophobicContact CB-CG 3.99Å; D94-P97 WeakPolarHBondContact O-CD 3.41Å; P97-R101 WeakPolarHBondContact O-CB 3.25Å; P97-R101 PolarHBondContact O-N 2.93Å
98I79.3Confident77.7Confident23 Ų2377.8 Ų77.812%0.11844%0.435CS..Hα-helixtrans-64.6-49.3175-67.6174.5000110.4I93 K95 C96 A100 R101 L102 C161I93-I98 HydrophobicContact CB-CD1 3.91Å; I93-I98 HydrophobicContact CD1-CD1 4.13Å; I93-I98 HydrophobicContact CG2-CD1 3.37Å; I93-I98 HydrophobicContact CG2-CG1 4.07Å; K95-I98 PolarHBondContact O-N 3.1Å; C96-I98 VanDerWaalsContact C-N 3.3Å; C96-I98 PolarHBondContact O-N 2.71Å; I98-A100 VanDerWaalsContact C-N 3.3Å; I98-A100 PolarHBondContact O-N 3.18Å; I98-R101 PolarHBondContact O-N 3.07Å; I98-L102 HydrophobicContact CG2-CD1 3.82Å; I98-L102 HydrophobicContact CG2-CG 4.14Å; I98-L102 WeakPolarHBondContact O-CB 3.34Å; I98-L102 WeakPolarHBondContact O-CG 3.19Å; I98-L102 PolarHBondContact O-N 3.04Å; I98-C161 HydrophobicContact CG2-CB 4.38Å
99A78.6Confident76.6Confident46 Ų4680.6 Ų80.638%0.3845%0.445SS..Hα-helixtrans-61-40.9-179.100000111.4K95 C96 L102 K103K95-A99 WeakPolarHBondContact O-CB 3.28Å; K95-A99 PolarHBondContact O-N 3.37Å; C96-A99 PolarHBondContact O-N 3.09Å; A99-L102 PolarHBondContact O-N 2.89Å; A99-K103 VanDerWaalsContact O-CG 3.3Å; A99-K103 WeakPolarHBondContact O-CG 3.21Å; A99-K103 PolarHBondContact O-N 2.96Å
100A81.2Confident75.3Confident50 Ų5083.9 Ų83.941%0.41346%0.462SS..Hα-helixtrans-62-46.117400000111.9C96 I98 L102 K103 N104C96-A100 PolarHBondContact O-N 3.17Å; I98-A100 VanDerWaalsContact C-N 3.3Å; I98-A100 PolarHBondContact O-N 3.18Å; A100-L102 PolarHBondContact O-N 2.77Å; A100-K103 PolarHBondContact O-N 2.74Å; A100-N104 PolarHBondContact O-N 3.41Å
101R77Confident73.6Confident100 Ų10087.8 Ų87.838%0.37749%0.486SS..Hα-helixtrans-63.2-40.9177.4-169.9174.8-176.81553.5112.3P97 I98 N104 C105 D169P97-R101 WeakPolarHBondContact O-CB 3.25Å; P97-R101 PolarHBondContact O-N 2.93Å; I98-R101 PolarHBondContact O-N 3.07Å; R101-N104 PolarHBondContact O-N 2.71Å; R101-C105 PolarHBondContact O-N 2.68Å; R101-C105 PolarHBondContact O-SG 3.42Å; R101-D169 PolarHBondContact NH1-O 2.75Å
102L77Confident71.8Confident39 Ų3997 Ų9720%0.20452%0.517CS..Hα-helixtrans-64.9-40.7176.9-75.2178000112.1I98 A99 A100 N104 C105 S106 L159 P174I98-L102 HydrophobicContact CG2-CD1 3.82Å; I98-L102 HydrophobicContact CG2-CG 4.14Å; I98-L102 WeakPolarHBondContact O-CB 3.34Å; I98-L102 WeakPolarHBondContact O-CG 3.19Å; I98-L102 PolarHBondContact O-N 3.04Å; A99-L102 PolarHBondContact O-N 2.89Å; A100-L102 PolarHBondContact O-N 2.77Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 3.47Å; L102-C105 PolarHBondContact O-N 2.88Å; L102-S106 PolarHBondContact O-N 2.83Å; L102-S106 VanDerWaalsContact O-N 3.13Å; L102-L159 HydrophobicContact CD2-CD1 4.36Å; L102-L159 HydrophobicContact CD2-CD2 3.95Å; L102-L159 HydrophobicContact CD2-CG 4.12Å; L102-P174 HydrophobicContact CD2-CB 4.06Å
103K76.3Confident70.1Confident159 Ų159100.4 Ų100.469%0.69154%0.535SS*.Hα-helixtrans-60.1-42.8172.6-74175.7-178.7-175.10111.4A99 A100 S106A99-K103 VanDerWaalsContact O-CG 3.3Å; A99-K103 WeakPolarHBondContact O-CG 3.21Å; A99-K103 PolarHBondContact O-N 2.96Å; A100-K103 PolarHBondContact O-N 2.74Å; K103-S106 CarbonylContact O-C 3.44Å; K103-S106 PolarHBondContact O-N 3.44Å
104N73.3Confident68Low132 Ų132103 Ų10371%0.70655%0.553SS**Hα-helixtrans-68.6-32.5176.8-66.6-9.2000113.1A100 R101 L102 S106A100-N104 PolarHBondContact O-N 3.41Å; R101-N104 PolarHBondContact O-N 2.71Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 3.47Å; N104-S106 VanDerWaalsContact C-N 3.29Å
105C64Low66.3Low77 Ų77105.9 Ų105.952%0.5257%0.568SS.*Hα-helixtrans-67.1-31174.1-72.30000112.4R101 L102 A107R101-C105 PolarHBondContact O-N 2.68Å; R101-C105 PolarHBondContact O-SG 3.42Å; L102-C105 PolarHBondContact O-N 2.88Å; C105-A107 PolarHBondContact O-N 3.21Å
106S62.7Low64.2Low62 Ų62105 Ų10543%0.43458%0.584SS.*  trans-78.371.6168.8-158.50000109L102 K103 N104 R108L102-S106 PolarHBondContact O-N 2.83Å; L102-S106 VanDerWaalsContact O-N 3.13Å; K103-S106 CarbonylContact O-C 3.44Å; K103-S106 PolarHBondContact O-N 3.44Å; N104-S106 VanDerWaalsContact C-N 3.29Å; S106-R108 CarbonylContact O-C 3.59Å; S106-R108 PolarHBondContact O-N 3.44Å; S106-R108 PolarHBondContact OG-O 2.91Å
107A55.3Low62.1Low97 Ų97107.4 Ų107.480%0.80259%0.59SS**  trans-54.9-14.4177.700000113.4C105C105-A107 PolarHBondContact O-N 3.21Å
108R55.2Low60.4Low207 Ų207108.2 Ų108.278%0.78159%0.59SS**SBendtrans-112.2124.6166.6-60-176.2-177.8-170.7-0.9107.1S106S106-R108 CarbonylContact O-C 3.59Å; S106-R108 PolarHBondContact O-N 3.44Å; S106-R108 PolarHBondContact OG-O 2.91Å
109Q54.8Low58.5Low172 Ų172115.2 Ų115.280%0.80462%0.623SS**  trans-47.5139.6156.9-69.7-174.6500106.9V111Q109-V111 VanDerWaalsContact C-N 3.33Å; Q109-V111 PolarHBondContact O-N 2.91Å
110P55.2Low56.8Low118 Ų118118.3 Ų118.377%0.76664%0.638SS**  trans-53.1106.8173.720.5-29.4000106.7R112P110-R112 VanDerWaalsContact C-N 3.28Å; P110-R112 PolarHBondContact O-N 3.21Å
111V52.6Low55.2Low114 Ų114120.7 Ų120.769%0.69165%0.648SS**  trans-63.7104.6173.9176.10000102.8Q109 I113Q109-V111 VanDerWaalsContact C-N 3.33Å; Q109-V111 PolarHBondContact O-N 2.91Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.25Å
112R49.3Very low54.1Low223 Ų223120.7 Ų120.784%0.84266%0.661SS**  trans-55111.7164.1-136.1-177.9178.8108.6-1.1103.2P110 P114P110-R112 VanDerWaalsContact C-N 3.28Å; P110-R112 PolarHBondContact O-N 3.21Å; R112-P114 WeakPolarHBondContact O-CD 3.43Å
113I52.5Low53.3Low131 Ų131123.7 Ų123.767%0.67267%0.672SS**  trans-56.9111.7173-60.2174.5000103.6V111 D115V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.25Å; I113-D115 PolarHBondContact O-N 3.35Å
114P42.3Very low53.1Low71 Ų71119 Ų11946%0.46166%0.659SS.*  trans-61.4131.9-175.1-19.531.7000107.6R112 G116 L117R112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-G116 PolarHBondContact O-N 2.77Å; P114-L117 PolarHBondContact O-N 3.46Å
115D54.2Low53.2Low155 Ų155115.3 Ų115.383%0.82964%0.643SS**THydrogen-bonded Turntrans-58.1-7.9-177-63.4-49.3000113.4I113I113-D115 PolarHBondContact O-N 3.35Å
116G41.2Very low53.9Low71 Ų71113.4 Ų113.473%0.73263%0.627SS**THydrogen-bonded Turntrans-118.3-1.8-173.800000118P114P114-G116 PolarHBondContact O-N 2.77Å
117L40.8Very low54.9Low150 Ų150114.4 Ų114.479%0.78563%0.625SS**  trans-110.232.5174.6-70.8175.1000112.1P114 E119P114-L117 PolarHBondContact O-N 3.46Å; L117-E119 PolarHBondContact O-N 2.91Å; L117-E119 VanDerWaalsContact O-N 3.12Å
118I45.3Very low56.3Low76 Ų76113.4 Ų113.439%0.3961%0.606SS.*  trans-78.194.5174.9-62.6172.1000106.5P122I118-P122 HydrophobicContact CG2-CG 4.2Å
119E40Very low57.7Low170 Ų170103.9 Ų103.979%0.79457%0.57SS**  trans-34.1122.9143.4-84.6-74.6144.100107.7L117 T121L117-E119 PolarHBondContact O-N 2.91Å; L117-E119 VanDerWaalsContact O-N 3.12Å; E119-T121 CarbonylContact O-C 3.58Å; E119-T121 PolarHBondContact O-N 3.24Å
120P43.6Very low59.2Low110 Ų11096.8 Ų96.871%0.71454%0.541SS*.SBendtrans-57.6117.2-154.821.1-31.5000109.8
121T46.9Very low60.8Low101 Ų10193 Ų9362%0.6252%0.517SS*.  trans76.6108.7-175.6-17.10000113E119 K123E119-T121 CarbonylContact O-C 3.58Å; E119-T121 PolarHBondContact O-N 3.24Å; T121-K123 PolarHBondContact O-N 3Å
122P53.1Low62.4Low99 Ų9994.6 Ų94.664%0.64351%0.512SS*.  trans-64.390.7150.917.3-2.3000103.8I118 S124I118-P122 HydrophobicContact CG2-CG 4.2Å; P122-S124 PolarHBondContact O-N 2.84Å
123K60.7Low64.2Low102 Ų10284 Ų8444%0.44347%0.472SS..  trans-45.5117.7176.5-79.6178.1168.1-166.60105.4T121 H127 L128T121-K123 PolarHBondContact O-N 3Å; K123-H127 HydrophobicContact CB-CB 4.48Å; K123-H127 VanDerWaalsContact CD-CD2 3.49Å; K123-H127 WeakPolarHBondContact CD-CD2 3.29Å; K123-H127 VanDerWaalsContact CG-CD2 3.46Å; K123-H127 WeakPolarHBondContact CG-CD2 3.46Å; K123-L128 HydrophobicContact CB-CD2 3.75Å; K123-L128 HydrophobicContact CB-CG 3.83Å; K123-L128 HydrophobicContact CD-CD2 3.84Å; K123-L128 HydrophobicContact CG-CD2 4.44Å
124S71.9Confident66Low60 Ų6085 Ų8542%0.4247%0.474SS..  trans-51.4143.6-177.368.40000107.5P122 L126 H127 L128P122-S124 PolarHBondContact O-N 2.84Å; S124-L126 CarbonylContact O-C 3.57Å; S124-L126 PolarHBondContact O-N 3.21Å; S124-H127 WeakPolarHBondContact O-CA 3.24Å; S124-H127 WeakPolarHBondContact O-CB 3.5Å; S124-H127 PolarHBondContact O-N 3.27Å; S124-H127 WeakPolarHBondContact OG-CB 3.27Å; S124-H127 PolarHBondContact OG-N 3.24Å; S124-L128 PolarHBondContact O-N 3.35Å
125P76.2Confident68.4Low56 Ų5689.5 Ų89.536%0.36449%0.488SS..Hα-helixtrans-49.8-33179.6-29.534.8000112.2L128 I129 F181 T183P125-L128 PolarHBondContact O-N 3.35Å; P125-I129 WeakPolarHBondContact O-CG1 3.49Å; P125-I129 PolarHBondContact O-N 2.91Å; P125-F181 HydrophobicContact CG-CZ 4.44Å; P125-T183 HydrophobicContact CB-CG2 4.27Å
126L78.9Confident70Confident36 Ų3685.4 Ų85.419%0.18847%0.472CS..Hα-helixtrans-64-43.9172.1-69.2178.8000114.1S124 L128 I129 A130 T150 M182S124-L126 CarbonylContact O-C 3.57Å; S124-L126 PolarHBondContact O-N 3.21Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.83Å; L126-I129 PolarHBondContact O-N 3.24Å; L126-A130 PolarHBondContact O-N 2.97Å; L126-T150 HydrophobicContact CD1-CG2 4.34Å; L126-T150 HydrophobicContact CD2-CG2 4.06Å; L126-T150 WeakPolarHBondContact CD2-OG1 3.35Å; L126-M182 HydrophobicContact CD1-CE 3.94Å; L126-M182 HydrophobicContact CD1-SD 3.45Å; L126-M182 WeakPolarHBondContact CD1-SD 3.1Å; L126-M182 HydrophobicContact CD2-CB 4.23Å; L126-M182 HydrophobicContact CD2-SD 4.07Å; L126-M182 HydrophobicContact CG-CB 4.43Å; L126-M182 HydrophobicContact CG-SD 3.5Å; L126-M182 WeakPolarHBondContact CG-SD 3.49Å
127H82.4Confident72.2Confident84 Ų8484.9 Ų84.939%0.38947%0.467SS..Hα-helixtrans-62.3-40.1175.7179.886.4000111.3K123 S124 I129 A130 C131K123-H127 HydrophobicContact CB-CB 4.48Å; K123-H127 VanDerWaalsContact CD-CD2 3.49Å; K123-H127 WeakPolarHBondContact CD-CD2 3.29Å; K123-H127 VanDerWaalsContact CG-CD2 3.46Å; K123-H127 WeakPolarHBondContact CG-CD2 3.46Å; S124-H127 WeakPolarHBondContact O-CA 3.24Å; S124-H127 WeakPolarHBondContact O-CB 3.5Å; S124-H127 PolarHBondContact O-N 3.27Å; S124-H127 WeakPolarHBondContact OG-CB 3.27Å; S124-H127 PolarHBondContact OG-N 3.24Å; H127-I129 PolarHBondContact O-N 2.83Å; H127-A130 WeakPolarHBondContact O-CB 3.3Å; H127-A130 PolarHBondContact O-N 2.78Å; H127-C131 PolarHBondContact NE2-SG 2.9Å; H127-C131 VanDerWaalsContact NE2-SG 3.41Å; H127-C131 PolarHBondContact O-N 3.15Å; H127-C131 PolarHBondContact O-SG 2.99Å; H127-C131 VanDerWaalsContact O-SG 3.34Å
128L84.9Confident74.6Confident76 Ų7679.7 Ų79.740%0.39844%0.44SS..Hα-helixtrans-61.8-44.7174-67.9175.3000111.5K123 S124 P125 L126 A130 C131 Y132K123-L128 HydrophobicContact CB-CD2 3.75Å; K123-L128 HydrophobicContact CB-CG 3.83Å; K123-L128 HydrophobicContact CD-CD2 3.84Å; K123-L128 HydrophobicContact CG-CD2 4.44Å; S124-L128 PolarHBondContact O-N 3.35Å; P125-L128 PolarHBondContact O-N 3.35Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.83Å; L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.05Å; L128-C131 PolarHBondContact O-N 3.4Å; L128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L128-Y132 PolarHBondContact O-N 3.48Å
129I85.2Confident76.7Confident7 Ų784.1 Ų84.14%0.03646%0.459CS..Hα-helixtrans-60.6-40.6175.8-63.3167.5000110.8P125 L126 H127 Y132 G133 I141 I144 T183 L186P125-I129 WeakPolarHBondContact O-CG1 3.49Å; P125-I129 PolarHBondContact O-N 2.91Å; L126-I129 PolarHBondContact O-N 3.24Å; H127-I129 PolarHBondContact O-N 2.83Å; I129-Y132 PolarHBondContact O-N 2.79Å; I129-G133 PolarHBondContact O-N 3.01Å; I129-I141 HydrophobicContact CG2-CG2 4Å; I129-I144 HydrophobicContact CG2-CG2 4.35Å; I129-T183 HydrophobicContact CD1-CG2 4.23Å; I129-L186 HydrophobicContact CD1-CD2 4.42Å; I129-L186 HydrophobicContact CG1-CD2 4.04Å
130A86.2Confident79Confident23 Ų2383.4 Ų83.419%0.1945%0.449CS..Hα-helixtrans-61.6-50.3176.300000111.6L126 H127 L128 Y132 G133 E134L126-A130 PolarHBondContact O-N 2.97Å; H127-A130 WeakPolarHBondContact O-CB 3.3Å; H127-A130 PolarHBondContact O-N 2.78Å; L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.05Å; A130-Y132 VanDerWaalsContact C-N 3.3Å; A130-Y132 PolarHBondContact O-N 2.85Å; A130-G133 WeakPolarHBondContact O-CA 3.31Å; A130-G133 PolarHBondContact O-N 3.49Å; A130-E134 WeakPolarHBondContact O-CG 3.37Å; A130-E134 PolarHBondContact O-N 3.13Å
131C87.9Confident81.2Confident38 Ų3879.3 Ų79.326%0.25742%0.421SS..Hα-helixtrans-57.3-42.9176.1-67.30000112H127 L128 G133 E134 Q135H127-C131 PolarHBondContact NE2-SG 2.9Å; H127-C131 VanDerWaalsContact NE2-SG 3.41Å; H127-C131 PolarHBondContact O-N 3.15Å; H127-C131 PolarHBondContact O-SG 2.99Å; H127-C131 VanDerWaalsContact O-SG 3.34Å; L128-C131 PolarHBondContact O-N 3.4Å; C131-G133 VanDerWaalsContact C-N 3.35Å; C131-E134 PolarHBondContact O-N 3.17Å; C131-Q135 WeakPolarHBondContact O-CB 3.14Å; C131-Q135 PolarHBondContact O-N 3Å
132Y87.1Confident83.2Confident148 Ų14877.1 Ų77.158%0.5841%0.407SS*.Hα-helixtrans-66-37.1176-81.5-63.1000112.5L128 I129 A130 S136L128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L128-Y132 PolarHBondContact O-N 3.48Å; I129-Y132 PolarHBondContact O-N 2.79Å; A130-Y132 VanDerWaalsContact C-N 3.3Å; A130-Y132 PolarHBondContact O-N 2.85Å; Y132-S136 WeakPolarHBondContact O-CB 3.39Å; Y132-S136 PolarHBondContact O-N 2.84Å; Y132-S136 PolarHBondContact O-OG 3.38Å
133G87.9Confident84.8Confident0 Ų074.3 Ų74.30%039%0.392CS..Hα-helixtrans-62.1-45.517500000112I129 A130 C131 S136 G137 I141 V142I129-G133 PolarHBondContact O-N 3.01Å; A130-G133 WeakPolarHBondContact O-CA 3.31Å; A130-G133 PolarHBondContact O-N 3.49Å; C131-G133 VanDerWaalsContact C-N 3.35Å; G133-S136 PolarHBondContact O-OG 3.12Å; G133-G137 PolarHBondContact O-N 3.27Å; G133-G137 VanDerWaalsContact O-N 3.11Å; G133-I141 VanDerWaalsContact CA-CG2 3.48Å; G133-V142 VanDerWaalsContact C-CG2 3.47Å; G133-V142 WeakPolarHBondContact O-CG2 3.44Å
134E89.4Confident86Confident152 Ų15270.5 Ų70.571%0.7138%0.376SS*.Hα-helixtrans-63.5-45.8176.5-70.8170.4-172.100111.8A130 C131A130-E134 WeakPolarHBondContact O-CG 3.37Å; A130-E134 PolarHBondContact O-N 3.13Å; C131-E134 PolarHBondContact O-N 3.17Å
135Q91.7Very high86.4Confident166 Ų16668.7 Ų68.778%0.77636%0.363SS*.Hα-helixtrans-70.4-35.1-178.6-172.2177.8-3.200113.1C131C131-Q135 WeakPolarHBondContact O-CB 3.14Å; C131-Q135 PolarHBondContact O-N 3Å
136S89.2Confident86.7Confident69 Ų6971.3 Ų71.348%0.48337%0.369SS..Hα-helixtrans-81.7-20.2-179.7610000113.7Y132 G133 D138Y132-S136 WeakPolarHBondContact O-CB 3.39Å; Y132-S136 PolarHBondContact O-N 2.84Å; Y132-S136 PolarHBondContact O-OG 3.38Å; G133-S136 PolarHBondContact O-OG 3.12Å; S136-D138 PolarHBondContact O-N 3.37Å; S136-D138 PolarHBondContact OG-N 2.8Å
137G87.4Confident86.3Confident60 Ų6074.9 Ų74.962%0.61939%0.394SS*.  trans68.27.7-170.900000114G133 Q139G133-G137 PolarHBondContact O-N 3.27Å; G133-G137 VanDerWaalsContact O-N 3.11Å; G137-Q139 PolarHBondContact O-N 2.94Å
138D89.8Confident85.5Confident41 Ų4176 Ų7622%0.21941%0.412CS..  trans-79.4107.4-178.8-171-28.2000110.8S136 R140 I141 V142 Y189S136-D138 PolarHBondContact O-N 3.37Å; S136-D138 PolarHBondContact OG-N 2.8Å; D138-R140 PolarHBondContact O-N 2.97Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 WeakPolarHBondContact OD1-CA 3.44Å; D138-R140 VanDerWaalsContact OD1-CB 3.31Å; D138-R140 WeakPolarHBondContact OD1-CB 3.25Å; D138-R140 PolarHBondContact OD1-N 3.35Å; D138-I141 HydrophobicContact CB-CB 4.22Å; D138-I141 HydrophobicContact CB-CD1 3.88Å; D138-I141 HydrophobicContact CB-CG1 3.89Å; D138-I141 PolarHBondContact O-N 2.74Å; D138-V142 PolarHBondContact O-N 3.23Å; D138-V142 VanDerWaalsContact O-N 3.08Å; D138-Y189 PolarHBondContact OD1-OH 2.78Å; D138-Y189 WeakPolarHBondContact OD2-CE1 3.47Å; D138-Y189 VanDerWaalsContact OD2-CZ 3.25Å; D138-Y189 PolarHBondContact OD2-OH 2.87Å
139Q90.1Very high84.3Confident169 Ų16976 Ų7679%0.7942%0.415SS*.Hα-helixtrans-57.4-28.7179.8-64.3-174.88.200113.2G137 A143G137-Q139 PolarHBondContact O-N 2.94Å; Q139-A143 WeakPolarHBondContact O-CB 3.36Å; Q139-A143 PolarHBondContact O-N 3.3Å
140R88.6Confident83.2Confident155 Ų15576.8 Ų76.859%0.58542%0.42SS*.Hα-helixtrans-71.9-38.7177.4-65.8-177.3176.6-172.85.1111.2D138 A143 I144 Y189D138-R140 PolarHBondContact O-N 2.97Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 WeakPolarHBondContact OD1-CA 3.44Å; D138-R140 VanDerWaalsContact OD1-CB 3.31Å; D138-R140 WeakPolarHBondContact OD1-CB 3.25Å; D138-R140 PolarHBondContact OD1-N 3.35Å; R140-A143 PolarHBondContact O-N 3.21Å; R140-I144 WeakPolarHBondContact O-CD1 3.34Å; R140-I144 WeakPolarHBondContact O-CG1 3.43Å; R140-I144 PolarHBondContact O-N 2.96Å; R140-Y189 HydrophobicContact CB-CD2 4.49Å; R140-Y189 HydrophobicContact CB-CE1 4.16Å; R140-Y189 HydrophobicContact CB-CE2 4.12Å; R140-Y189 HydrophobicContact CG-CE2 4.34Å
141I90.6Very high82.1Confident24 Ų2478 Ų7812%0.12343%0.43CS..Hα-helixtrans-67.2-43.2176.3-59.1-179.1000110.1I129 G133 D138 A143 I144 S145 L186 Y189I129-I141 HydrophobicContact CG2-CG2 4Å; G133-I141 VanDerWaalsContact CA-CG2 3.48Å; D138-I141 HydrophobicContact CB-CB 4.22Å; D138-I141 HydrophobicContact CB-CD1 3.88Å; D138-I141 HydrophobicContact CB-CG1 3.89Å; D138-I141 PolarHBondContact O-N 2.74Å; I141-A143 VanDerWaalsContact C-N 3.29Å; I141-A143 PolarHBondContact O-N 2.97Å; I141-I144 PolarHBondContact O-N 3.44Å; I141-I144 VanDerWaalsContact O-N 3.16Å; I141-S145 PolarHBondContact O-N 2.92Å; I141-L186 HydrophobicContact CD1-CD1 4.44Å; I141-L186 HydrophobicContact CG1-CD1 4.15Å; I141-L186 HydrophobicContact CG2-CD1 4.25Å; I141-Y189 HydrophobicContact CD1-CE1 4.22Å; I141-Y189 HydrophobicContact CG1-CD1 4Å; I141-Y189 HydrophobicContact CG1-CE1 3.71Å
142V87.4Confident81Confident54 Ų5481.6 Ų81.633%0.32746%0.456SS..Hα-helixtrans-62.1-36.7174.1177.80000111.6G133 D138 S145G133-V142 VanDerWaalsContact C-CG2 3.47Å; G133-V142 WeakPolarHBondContact O-CG2 3.44Å; D138-V142 PolarHBondContact O-N 3.23Å; D138-V142 VanDerWaalsContact O-N 3.08Å; V142-S145 PolarHBondContact O-OG 3.31Å
143A87.5Confident80.1Confident40 Ų4080.3 Ų80.333%0.33146%0.459SS..Hα-helixtrans-66-41.9174.300000111.5Q139 R140 I141 S145 K146 T149Q139-A143 WeakPolarHBondContact O-CB 3.36Å; Q139-A143 PolarHBondContact O-N 3.3Å; R140-A143 PolarHBondContact O-N 3.21Å; I141-A143 VanDerWaalsContact C-N 3.29Å; I141-A143 PolarHBondContact O-N 2.97Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.05Å; A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 3.11Å; A143-T149 PolarHBondContact O-OG1 2.91Å
144I85.4Confident79.3Confident22 Ų2282.5 Ų82.511%0.11347%0.474CS..Hα-helixtrans-64.5-35.3-179.7-70.9162.4000112.2I129 R140 I141 K146 T149 A185 L186 Y189I129-I144 HydrophobicContact CG2-CG2 4.35Å; R140-I144 WeakPolarHBondContact O-CD1 3.34Å; R140-I144 WeakPolarHBondContact O-CG1 3.43Å; R140-I144 PolarHBondContact O-N 2.96Å; I141-I144 PolarHBondContact O-N 3.44Å; I141-I144 VanDerWaalsContact O-N 3.16Å; I144-K146 PolarHBondContact O-N 3.41Å; I144-T149 PolarHBondContact O-OG1 3.41Å; I144-A185 HydrophobicContact CG1-CB 4.3Å; I144-A185 HydrophobicContact CG2-CB 3.76Å; I144-L186 HydrophobicContact CG2-CB 4.34Å; I144-Y189 HydrophobicContact CD1-CD1 4.37Å; I144-Y189 HydrophobicContact CD1-CG 4.28Å
145S81.5Confident78.8Confident22 Ų2280.2 Ų80.215%0.15446%0.462CS..THydrogen-bonded Turntrans-67.7-14.7179.169.30000113.5I141 V142 A143I141-S145 PolarHBondContact O-N 2.92Å; V142-S145 PolarHBondContact O-OG 3.31Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.05Å
146K81.7Confident78.2Confident112 Ų11276.9 Ų76.949%0.48746%0.457SS..SBendtrans-67141.2179.8-65.5179-177.9-179.50110.6A143 I144 S148 T149 T150A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 3.11Å; I144-K146 PolarHBondContact O-N 3.41Å; K146-S148 PolarHBondContact O-N 3.35Å; K146-T149 PolarHBondContact O-N 3.47Å; K146-T149 PolarHBondContact O-OG1 2.71Å; K146-T150 PolarHBondContact O-N 3.17Å; K146-T150 PolarHBondContact O-OG1 3.38Å
147P69.8Low77.9Confident110 Ų11076.6 Ų76.671%0.71445%0.453SS*.THydrogen-bonded Turntrans-57.8-31.2176.1-2634.3000113.3T149 T150P147-T149 VanDerWaalsContact C-N 3.33Å; P147-T149 PolarHBondContact O-N 3.37Å; P147-T150 PolarHBondContact O-N 3.18Å; P147-T150 VanDerWaalsContact O-O 3.09Å
148S65.9Low77.8Confident109 Ų10979 Ų7976%0.76245%0.448SS*.THydrogen-bonded Turntrans-66.6-29.9-178.156.70000114.3K146K146-S148 PolarHBondContact O-N 3.35Å
149T61Low77.4Confident76 Ų7681.3 Ų81.347%0.46646%0.461SS..THydrogen-bonded Turntrans-85.5-19.2174.833.20000112.8A143 I144 K146 P147A143-T149 PolarHBondContact O-OG1 2.91Å; I144-T149 PolarHBondContact O-OG1 3.41Å; K146-T149 PolarHBondContact O-N 3.47Å; K146-T149 PolarHBondContact O-OG1 2.71Å; P147-T149 VanDerWaalsContact C-N 3.33Å; P147-T149 PolarHBondContact O-N 3.37Å
150T61.6Low77.1Confident22 Ų2278 Ų7814%0.13544%0.441CS..SBendtrans-84.3126.2-179.4-53.40000109.1L126 K146 P147 S152 M182L126-T150 HydrophobicContact CD1-CG2 4.34Å; L126-T150 HydrophobicContact CD2-CG2 4.06Å; L126-T150 WeakPolarHBondContact CD2-OG1 3.35Å; K146-T150 PolarHBondContact O-N 3.17Å; K146-T150 PolarHBondContact O-OG1 3.38Å; P147-T150 PolarHBondContact O-N 3.18Å; P147-T150 VanDerWaalsContact O-O 3.09Å; T150-S152 PolarHBondContact O-N 2.73Å; T150-S152 VanDerWaalsContact O-N 3.13Å; T150-M182 HydrophobicContact CG2-CE 3.31Å; T150-M182 HydrophobicContact CG2-CG 4.36Å; T150-M182 HydrophobicContact CG2-SD 4.08Å
151A62.1Low76.8Confident48 Ų4872 Ų7240%0.39742%0.423SS..  trans-56.9123.9177.800000109.5N153 S154A151-N153 PolarHBondContact O-N 3.46Å; A151-S154 PolarHBondContact O-N 3.36Å; A151-S154 VanDerWaalsContact O-N 3.1Å
152S65.1Low76.5Confident114 Ų11473.9 Ų73.980%0.79743%0.433SS*.THydrogen-bonded Turntrans-52.8-26.4173.165.70000111.8T150T150-S152 PolarHBondContact O-N 2.73Å; T150-S152 VanDerWaalsContact O-N 3.13Å
153N69Low76.3Confident122 Ų12271.5 Ų71.565%0.65242%0.418SS*.THydrogen-bonded Turntrans-101.550.9179.3-55.2-32.6000111A151 K155A151-N153 PolarHBondContact O-N 3.46Å; N153-K155 PolarHBondContact O-N 3.29Å
154S71.6Confident76Confident46 Ų4671.4 Ų71.432%0.32241%0.411SS..  trans-57.1125.6174.9166.90000110.1A151 N180 M182A151-S154 PolarHBondContact O-N 3.36Å; A151-S154 VanDerWaalsContact O-N 3.1Å; S154-N180 VanDerWaalsContact CA-O 3.3Å; S154-N180 WeakPolarHBondContact CA-O 3.41Å; S154-M182 VanDerWaalsContact CB-CE 3.47Å; S154-M182 WeakPolarHBondContact OG-CG 3.41Å
155K77.5Confident75.3Confident104 Ų10473.7 Ų73.745%0.45244%0.439SS..  trans-105.7135.1178.6-64.7-172.6178.7-174.20110.2N153 N180 F181N153-K155 PolarHBondContact O-N 3.29Å; K155-N180 PolarHBondContact N-O 3.13Å; K155-F181 WeakPolarHBondContact O-CA 3.13Å; K155-F181 WeakPolarHBondContact O-CB 3.2Å; K155-F181 WeakPolarHBondContact O-CD2 3.35Å
156S80.4Confident74.9Confident95 Ų9577.8 Ų77.866%0.66446%0.456SS*.  trans-59.8148169-64.30000110.2E158S156-E158 PolarHBondContact O-N 2.83Å
157P82.2Confident74.8Confident63 Ų6377.3 Ų77.341%0.40945%0.454SS..  trans-57.1133.1175.8-24.234000111.8V176 S177 F181P157-V176 HydrophobicContact CB-CG1 3.87Å; P157-S177 CarbonylContact C-O 3.57Å; P157-S177 WeakPolarHBondContact CA-O 3.23Å; P157-F181 HydrophobicContact CG-CD1 4.39Å; P157-F181 HydrophobicContact CG-CD2 4.31Å; P157-F181 HydrophobicContact CG-CG 4.17Å
158E84.5Confident74.8Confident110 Ų11077.6 Ų77.651%0.51446%0.456SS..EExtended strand (participates in β ladder)trans-107.4126.9-177.1-68.7175.6-169.700109.9S156 V176 S177S156-E158 PolarHBondContact O-N 2.83Å; E158-V176 CarbonylContact O-C 3.59Å; E158-V176 WeakPolarHBondContact O-CA 3.4Å; E158-S177 PolarHBondContact N-O 2.84Å; E158-S177 PolarHBondContact O-N 2.75Å
159L82.7Confident75.2Confident91 Ų9179.1 Ų79.148%0.47646%0.455SS..EExtended strand (participates in β ladder)trans-88.6119.2171.4178.264.5000109.2L102 P174 I175 V176L102-L159 HydrophobicContact CD2-CD1 4.36Å; L102-L159 HydrophobicContact CD2-CD2 3.95Å; L102-L159 HydrophobicContact CD2-CG 4.12Å; L159-P174 HydrophobicContact CD1-CB 4.13Å; L159-I175 WeakPolarHBondContact CA-O 3.36Å; L159-V176 HydrophobicContact CD1-CG2 3.77Å
160Y83.4Confident75.7Confident99 Ų9978.6 Ų78.639%0.38845%0.449SS..EExtended strand (participates in β ladder)trans-135.5170.917673.1-77.5000110.9L162 I175Y160-L162 HydrophobicContact CD2-CD2 4.36Å; Y160-L162 HydrophobicContact CE2-CD2 3.77Å; Y160-L162 HydrophobicContact CE2-CG 4Å; Y160-I175 HydrophobicContact CD1-CB 4.21Å; Y160-I175 HydrophobicContact CD1-CG2 4.44Å; Y160-I175 WeakPolarHBondContact CD1-O 3.48Å; Y160-I175 HydrophobicContact CE1-CB 3.69Å; Y160-I175 HydrophobicContact CE1-CG2 3.53Å; Y160-I175 HydrophobicContact CE2-CB 4.26Å; Y160-I175 HydrophobicContact CE2-CD1 4.37Å; Y160-I175 PolarHBondContact N-O 2.8Å; Y160-I175 PolarHBondContact O-N 3.18Å; Y160-I175 VanDerWaalsContact O-O 3.12Å
161C82.6Confident76.1Confident29 Ų2981.6 Ų81.620%0.19646%0.464CS..EExtended strand (participates in β ladder)trans-119.6135.6-176.5-82.30000111.3I98 R173I98-C161 HydrophobicContact CG2-CB 4.38Å; C161-R173 WeakPolarHBondContact CA-O 3.3Å
162L84Confident76.8Confident63 Ų6379.5 Ų79.533%0.3345%0.446SS..EExtended strand (participates in β ladder)trans-100.2133.7166-69.4-172.8000110.9Y160 S172 R173 I175Y160-L162 HydrophobicContact CD2-CD2 4.36Å; Y160-L162 HydrophobicContact CE2-CD2 3.77Å; Y160-L162 HydrophobicContact CE2-CG 4Å; L162-S172 CarbonylContact O-C 3.52Å; L162-S172 WeakPolarHBondContact O-CA 3.39Å; L162-S172 WeakPolarHBondContact O-CB 3.34Å; L162-R173 PolarHBondContact N-O 2.95Å; L162-R173 PolarHBondContact O-N 2.85Å; L162-I175 HydrophobicContact CB-CD1 4.35Å; L162-I175 HydrophobicContact CD1-CD1 3.32Å; L162-I175 HydrophobicContact CG-CD1 3.57Å; L162-I175 HydrophobicContact CG-CG1 4.46Å
163S82.5Confident77.6Confident4 Ų481.2 Ų81.23%0.02844%0.435CS..EExtended strand (participates in β ladder)trans-68.8135.8-179.172.10000111.7K83 D85 L171K83-S163 PolarHBondContact O-OG 3.31Å; D85-S163 WeakPolarHBondContact CB-O 3.22Å; S163-L171 WeakPolarHBondContact CA-O 3.45Å
164K80.8Confident78.3Confident39 Ų3978.1 Ų78.117%0.1742%0.422CS..  trans-116.763.7174.9-68-64.1-174.8-168.50109.9D85 H166 K167 I170 L171 R173D85-K164 HydrophobicContact CB-CD 4.39Å; D85-K164 IonicContact OD1-NZ 3.67Å; D85-K164 PolarHBondContact OD1-NZ 3.17Å; D85-K164 IonicContact OD2-NZ 3.94Å; D85-K164 PolarHBondContact OD2-NZ 3.32Å; K164-H166 PolarHBondContact O-N 3.31Å; K164-K167 PolarHBondContact O-N 2.74Å; K164-I170 WeakPolarHBondContact CB-O 3.06Å; K164-L171 PolarHBondContact N-O 3.48Å; K164-R173 HydrophobicContact CG-CB 4.47Å
165G71Confident79Confident69 Ų6977.9 Ų77.971%0.71142%0.417SS*.THydrogen-bonded Turntrans-57.4-9.8-172.300000117.4
166H73.7Confident79.4Confident108 Ų10877.5 Ų77.550%0.542%0.423SS..THydrogen-bonded Turntrans-980.7175.567.5-83.4000113.9K164K164-H166 PolarHBondContact O-N 3.31Å
167K79Confident79.7Confident103 Ų10374.4 Ų74.445%0.44840%0.401SS..  trans-115.5110177.8-65.4-168.4177-1660109K164 D169 I170K164-K167 PolarHBondContact O-N 2.74Å; K167-D169 VanDerWaalsContact C-N 3.32Å; K167-D169 PolarHBondContact O-N 3.27Å; K167-I170 HydrophobicContact CB-CB 4.21Å; K167-I170 HydrophobicContact CD-CD1 4.47Å; K167-I170 CarbonylContact O-C 3.53Å; K167-I170 PolarHBondContact O-N 3.2Å
168P70.5Confident79.8Confident116 Ų11673.9 Ų73.975%0.75340%0.399SS*.THydrogen-bonded Turntrans-61.6-39.2-174.723-32.1000112.5
169D74.3Confident79.6Confident141 Ų14171.5 Ų71.575%0.75439%0.394SS*.THydrogen-bonded Turntrans-86.9-13.1-175-55.2-28.4000114.1R101 K167R101-D169 PolarHBondContact NH1-O 2.75Å; K167-D169 VanDerWaalsContact C-N 3.32Å; K167-D169 PolarHBondContact O-N 3.27Å
170I71.2Confident79.4Confident65 Ų6571.1 Ų71.133%0.33339%0.393SS..  trans-124.688.5-176.5-53177.3000108.4K164 K167 S172K164-I170 WeakPolarHBondContact CB-O 3.06Å; K167-I170 HydrophobicContact CB-CB 4.21Å; K167-I170 HydrophobicContact CD-CD1 4.47Å; K167-I170 CarbonylContact O-C 3.53Å; K167-I170 PolarHBondContact O-N 3.2Å; I170-S172 WeakPolarHBondContact CG2-O 3.42Å; I170-S172 PolarHBondContact O-N 3.03Å
171L69.7Low79.3Confident84 Ų8468.8 Ų68.844%0.4439%0.385SS..  trans-60.1-34.9176.6-66.9172.2000112.3S163 K164S163-L171 WeakPolarHBondContact CA-O 3.45Å; K164-L171 PolarHBondContact N-O 3.48Å
172S76.8Confident79.1Confident5 Ų569.9 Ų69.94%0.03539%0.387CS..EExtended strand (participates in β ladder)trans-151.1152.6-173.9560000115.9L162 I170L162-S172 CarbonylContact O-C 3.52Å; L162-S172 WeakPolarHBondContact O-CA 3.39Å; L162-S172 WeakPolarHBondContact O-CB 3.34Å; I170-S172 WeakPolarHBondContact CG2-O 3.42Å; I170-S172 PolarHBondContact O-N 3.03Å
173R81.9Confident78.9Confident150 Ų15069 Ų6957%0.56639%0.385SS*.EExtended strand (participates in β ladder)trans-97.2119.1167.1-172.6-179.8-140.1-88.51.9109C161 L162 K164 I175C161-R173 WeakPolarHBondContact CA-O 3.3Å; L162-R173 PolarHBondContact N-O 2.95Å; L162-R173 PolarHBondContact O-N 2.85Å; K164-R173 HydrophobicContact CG-CB 4.47Å; R173-I175 HydrophobicContact CG-CG1 4.46Å
174P85.1Confident79Confident57 Ų5770 Ų7037%0.3739%0.392SS..EExtended strand (participates in β ladder)trans-68.2136.5170.128.1-32.3000109.9L102 L159L102-P174 HydrophobicContact CD2-CB 4.06Å; L159-P174 HydrophobicContact CD1-CB 4.13Å
175I86Confident79.3Confident41 Ų4169.9 Ų69.921%0.2140%0.398CS..EExtended strand (participates in β ladder)trans-133.2131.2176.8-56.5-170.9000108.2L159 Y160 L162 R173L159-I175 WeakPolarHBondContact CA-O 3.36Å; Y160-I175 HydrophobicContact CD1-CB 4.21Å; Y160-I175 HydrophobicContact CD1-CG2 4.44Å; Y160-I175 WeakPolarHBondContact CD1-O 3.48Å; Y160-I175 HydrophobicContact CE1-CB 3.69Å; Y160-I175 HydrophobicContact CE1-CG2 3.53Å; Y160-I175 HydrophobicContact CE2-CB 4.26Å; Y160-I175 HydrophobicContact CE2-CD1 4.37Å; Y160-I175 PolarHBondContact N-O 2.8Å; Y160-I175 PolarHBondContact O-N 3.18Å; Y160-I175 VanDerWaalsContact O-O 3.12Å; L162-I175 HydrophobicContact CB-CD1 4.35Å; L162-I175 HydrophobicContact CD1-CD1 3.32Å; L162-I175 HydrophobicContact CG-CD1 3.57Å; L162-I175 HydrophobicContact CG-CG1 4.46Å; R173-I175 HydrophobicContact CG-CG1 4.46Å
176V85.9Confident80.1Confident96 Ų9668.1 Ų68.158%0.58237%0.372SS*.EExtended strand (participates in β ladder)trans-97.1111.2168.5-178.90000107.4P157 E158 L159P157-V176 HydrophobicContact CB-CG1 3.87Å; E158-V176 CarbonylContact O-C 3.59Å; E158-V176 WeakPolarHBondContact O-CA 3.4Å; L159-V176 HydrophobicContact CD1-CG2 3.77Å
177S86.3Confident80.8Confident29 Ų2966.1 Ų66.120%0.20337%0.371CS..EExtended strand (participates in β ladder)trans-85.3118.4169.1-171.10000109.2P157 E158 S179P157-S177 CarbonylContact C-O 3.57Å; P157-S177 WeakPolarHBondContact CA-O 3.23Å; E158-S177 PolarHBondContact N-O 2.84Å; E158-S177 PolarHBondContact O-N 2.75Å; S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 VanDerWaalsContact OG-CB 3.26Å; S177-S179 WeakPolarHBondContact OG-CB 3.38Å; S177-S179 PolarHBondContact OG-N 2.86Å; S177-S179 PolarHBondContact OG-OG 2.87Å
178S83.1Confident81.3Confident52 Ų5268.2 Ų68.236%0.36438%0.38SS..  trans-98.225.6165.153.90000111.6N180 F181S178-N180 PolarHBondContact O-N 2.76Å; S178-F181 VanDerWaalsContact O-CB 3.28Å; S178-F181 WeakPolarHBondContact O-CB 3.49Å; S178-F181 PolarHBondContact O-N 2.83Å
179S80.9Confident82.3Confident60 Ų6064.1 Ų64.142%0.4235%0.349SS..THydrogen-bonded Turntrans-58.1129.9177.457.50000110.9S177 F181S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 VanDerWaalsContact OG-CB 3.26Å; S177-S179 WeakPolarHBondContact OG-CB 3.38Å; S177-S179 PolarHBondContact OG-N 2.86Å; S177-S179 PolarHBondContact OG-OG 2.87Å; S179-F181 PolarHBondContact O-N 3.3Å
180N79.2Confident83.1Confident83 Ų8361 Ų6144%0.44433%0.332SS..THydrogen-bonded Turntrans59.417-176.3-56.8-16000114.6S154 K155 S178S154-N180 VanDerWaalsContact CA-O 3.3Å; S154-N180 WeakPolarHBondContact CA-O 3.41Å; K155-N180 PolarHBondContact N-O 3.13Å; S178-N180 PolarHBondContact O-N 2.76Å
181F81.8Confident84Confident51 Ų5160.5 Ų60.522%0.22434%0.337CS..  trans-72157.6165.2-173.1-122.3000109.8P125 K155 P157 S178 S179 T183 S184P125-F181 HydrophobicContact CG-CZ 4.44Å; K155-F181 WeakPolarHBondContact O-CA 3.13Å; K155-F181 WeakPolarHBondContact O-CB 3.2Å; K155-F181 WeakPolarHBondContact O-CD2 3.35Å; P157-F181 HydrophobicContact CG-CD1 4.39Å; P157-F181 HydrophobicContact CG-CD2 4.31Å; P157-F181 HydrophobicContact CG-CG 4.17Å; S178-F181 VanDerWaalsContact O-CB 3.28Å; S178-F181 WeakPolarHBondContact O-CB 3.49Å; S178-F181 PolarHBondContact O-N 2.83Å; S179-F181 PolarHBondContact O-N 3.3Å; F181-T183 HydrophobicContact CD1-CG2 4.09Å; F181-T183 WeakPolarHBondContact CD1-OG1 3.38Å; F181-T183 HydrophobicContact CE1-CG2 3.76Å; F181-T183 PolarHBondContact O-N 3.13Å; F181-T183 VanDerWaalsContact O-N 3.09Å; F181-S184 WeakPolarHBondContact O-CB 3.48Å; F181-S184 PolarHBondContact O-N 3.27Å; F181-S184 PolarHBondContact O-OG 2.85Å
182M76.6Confident85.1Confident51 Ų5160.3 Ų60.325%0.25134%0.34SS..THydrogen-bonded Turntrans-56.8-30.7-176.1-60.3-134.1129.100113.4L126 T150 S154L126-M182 HydrophobicContact CD1-CE 3.94Å; L126-M182 HydrophobicContact CD1-SD 3.45Å; L126-M182 WeakPolarHBondContact CD1-SD 3.1Å; L126-M182 HydrophobicContact CD2-CB 4.23Å; L126-M182 HydrophobicContact CD2-SD 4.07Å; L126-M182 HydrophobicContact CG-CB 4.43Å; L126-M182 HydrophobicContact CG-SD 3.5Å; L126-M182 WeakPolarHBondContact CG-SD 3.49Å; T150-M182 HydrophobicContact CG2-CE 3.31Å; T150-M182 HydrophobicContact CG2-CG 4.36Å; T150-M182 HydrophobicContact CG2-SD 4.08Å; S154-M182 VanDerWaalsContact CB-CE 3.47Å; S154-M182 WeakPolarHBondContact OG-CG 3.41Å
183T81.2Confident85.7Confident45 Ų4564 Ų6428%0.27636%0.358SS..THydrogen-bonded Turntrans-88-0.4178.867.90000113.8P125 I129 F181 A185 L186 S187P125-T183 HydrophobicContact CB-CG2 4.27Å; I129-T183 HydrophobicContact CD1-CG2 4.23Å; F181-T183 HydrophobicContact CD1-CG2 4.09Å; F181-T183 WeakPolarHBondContact CD1-OG1 3.38Å; F181-T183 HydrophobicContact CE1-CG2 3.76Å; F181-T183 PolarHBondContact O-N 3.13Å; F181-T183 VanDerWaalsContact O-N 3.09Å; T183-A185 PolarHBondContact O-N 2.93Å; T183-L186 PolarHBondContact O-N 3.33Å; T183-S187 WeakPolarHBondContact O-CB 3.42Å; T183-S187 PolarHBondContact O-N 3.35Å
184S84.8Confident86Confident25 Ų2562.1 Ų62.118%0.17536%0.359CS..Hα-helixtrans-65.2-37-173.963.60000113F181 S187 K188F181-S184 WeakPolarHBondContact O-CB 3.48Å; F181-S184 PolarHBondContact O-N 3.27Å; F181-S184 PolarHBondContact O-OG 2.85Å; S184-S187 PolarHBondContact O-N 2.95Å; S184-K188 WeakPolarHBondContact O-CG 3.37Å; S184-K188 PolarHBondContact O-N 2.88Å
185A85.7Confident86.2Confident37 Ų3765.1 Ų65.131%0.30637%0.372SS..Hα-helixtrans-65.6-44174.700000111.5I144 T183 K188 Y189I144-A185 HydrophobicContact CG1-CB 4.3Å; I144-A185 HydrophobicContact CG2-CB 3.76Å; T183-A185 PolarHBondContact O-N 2.93Å; A185-K188 PolarHBondContact O-N 3.31Å; A185-Y189 PolarHBondContact O-N 2.92Å
186L88Confident86Confident31 Ų3169.1 Ų69.116%0.16239%0.388CS..Hα-helixtrans-61.3-45.6174-178.169.5000111.3I129 I141 I144 T183 K188 Y189 I190I129-L186 HydrophobicContact CD1-CD2 4.42Å; I129-L186 HydrophobicContact CG1-CD2 4.04Å; I141-L186 HydrophobicContact CD1-CD1 4.44Å; I141-L186 HydrophobicContact CG1-CD1 4.15Å; I141-L186 HydrophobicContact CG2-CD1 4.25Å; I144-L186 HydrophobicContact CG2-CB 4.34Å; T183-L186 PolarHBondContact O-N 3.33Å; L186-K188 VanDerWaalsContact C-N 3.34Å; L186-K188 PolarHBondContact O-N 3.37Å; L186-Y189 WeakPolarHBondContact O-CB 3.27Å; L186-Y189 PolarHBondContact O-N 3.34Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; L186-I190 HydrophobicContact CD1-CD1 4.21Å; L186-I190 HydrophobicContact CD1-CG1 4.39Å; L186-I190 HydrophobicContact CD2-CD1 4.22Å; L186-I190 HydrophobicContact CG-CD1 3.81Å; L186-I190 HydrophobicContact CG-CG1 4.36Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 3.1Å
187S89.2Confident85.9Confident67 Ų6770 Ų7047%0.46938%0.384SS..Hα-helixtrans-60.5-42.2179.1178.60000112T183 S184 I190 A191T183-S187 WeakPolarHBondContact O-CB 3.42Å; T183-S187 PolarHBondContact O-N 3.35Å; S184-S187 PolarHBondContact O-N 2.95Å; S187-I190 PolarHBondContact O-N 3.11Å; S187-A191 VanDerWaalsContact O-CB 3.32Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 2.98Å
188K89.7Confident85.7Confident147 Ų14771.4 Ų71.464%0.63940%0.398SS*.Hα-helixtrans-61-44.8173.2-74.2174.8-177.9178.10111.4S184 A185 L186 A191 T192S184-K188 WeakPolarHBondContact O-CG 3.37Å; S184-K188 PolarHBondContact O-N 2.88Å; A185-K188 PolarHBondContact O-N 3.31Å; L186-K188 VanDerWaalsContact C-N 3.34Å; L186-K188 PolarHBondContact O-N 3.37Å; K188-A191 WeakPolarHBondContact O-CB 3.13Å; K188-A191 PolarHBondContact O-N 3.12Å; K188-T192 WeakPolarHBondContact O-CG2 3.14Å; K188-T192 PolarHBondContact O-N 3.36Å
189Y90.9Very high85.5Confident29 Ų2970.9 Ų70.911%0.11440%0.4CS..Hα-helixtrans-60.9-49.7177.8175.9-124.6000111.8D138 R140 I141 I144 A185 L186 A191 T192 L193D138-Y189 PolarHBondContact OD1-OH 2.78Å; D138-Y189 WeakPolarHBondContact OD2-CE1 3.47Å; D138-Y189 VanDerWaalsContact OD2-CZ 3.25Å; D138-Y189 PolarHBondContact OD2-OH 2.87Å; R140-Y189 HydrophobicContact CB-CD2 4.49Å; R140-Y189 HydrophobicContact CB-CE1 4.16Å; R140-Y189 HydrophobicContact CB-CE2 4.12Å; R140-Y189 HydrophobicContact CG-CE2 4.34Å; I141-Y189 HydrophobicContact CD1-CE1 4.22Å; I141-Y189 HydrophobicContact CG1-CD1 4Å; I141-Y189 HydrophobicContact CG1-CE1 3.71Å; I144-Y189 HydrophobicContact CD1-CD1 4.37Å; I144-Y189 HydrophobicContact CD1-CG 4.28Å; A185-Y189 PolarHBondContact O-N 2.92Å; L186-Y189 WeakPolarHBondContact O-CB 3.27Å; L186-Y189 PolarHBondContact O-N 3.34Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; Y189-A191 VanDerWaalsContact C-N 3.28Å; Y189-A191 PolarHBondContact O-N 2.93Å; Y189-T192 PolarHBondContact O-N 2.76Å; Y189-T192 PolarHBondContact O-OG1 2.73Å; Y189-L193 HydrophobicContact CD1-CD1 4.42Å; Y189-L193 HydrophobicContact CE1-CD1 3.84Å; Y189-L193 HydrophobicContact CE2-CD1 4.16Å; Y189-L193 HydrophobicContact CE2-CD2 4.04Å; Y189-L193 HydrophobicContact CE2-CG 4.01Å; Y189-L193 PolarHBondContact O-N 3.17Å; Y189-L193 VanDerWaalsContact O-N 3.12Å
190I90.5Very high85.4Confident77 Ų7774.4 Ų74.440%0.39541%0.408SS..Hα-helixtrans-58.6-42.3175.9-66.4170.3000110.8L186 S187 T192 L193 L194L186-I190 HydrophobicContact CD1-CD1 4.21Å; L186-I190 HydrophobicContact CD1-CG1 4.39Å; L186-I190 HydrophobicContact CD2-CD1 4.22Å; L186-I190 HydrophobicContact CG-CD1 3.81Å; L186-I190 HydrophobicContact CG-CG1 4.36Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 3.1Å; S187-I190 PolarHBondContact O-N 3.11Å; I190-T192 VanDerWaalsContact C-N 3.29Å; I190-T192 PolarHBondContact O-N 3.47Å; I190-L193 WeakPolarHBondContact O-CB 3.4Å; I190-L193 PolarHBondContact O-N 2.94Å; I190-L193 VanDerWaalsContact O-N 3.14Å; I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.19Å; I190-L194 WeakPolarHBondContact O-CG 2.89Å; I190-L194 PolarHBondContact O-N 3.21Å
191A91.7Very high85.5Confident53 Ų5378.4 Ų78.444%0.43842%0.417SS..Hα-helixtrans-60-38.1176.300000112.1S187 K188 Y189 L194 N195S187-A191 VanDerWaalsContact O-CB 3.32Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 2.98Å; K188-A191 WeakPolarHBondContact O-CB 3.13Å; K188-A191 PolarHBondContact O-N 3.12Å; Y189-A191 VanDerWaalsContact C-N 3.28Å; Y189-A191 PolarHBondContact O-N 2.93Å; A191-L194 PolarHBondContact O-N 3.49Å; A191-N195 VanDerWaalsContact O-CB 3.29Å; A191-N195 WeakPolarHBondContact O-CB 3.5Å; A191-N195 PolarHBondContact O-N 2.96Å
192T91.1Very high85.4Confident81 Ų8185.8 Ų85.850%0.49745%0.452SS..Hα-helixtrans-65.4-38174.861.80000112.8K188 Y189 I190 N195K188-T192 WeakPolarHBondContact O-CG2 3.14Å; K188-T192 PolarHBondContact O-N 3.36Å; Y189-T192 PolarHBondContact O-N 2.76Å; Y189-T192 PolarHBondContact O-OG1 2.73Å; I190-T192 VanDerWaalsContact C-N 3.29Å; I190-T192 PolarHBondContact O-N 3.47Å; T192-N195 PolarHBondContact O-N 3.06Å
193L90.1Very high85.6Confident81 Ų8188.1 Ų88.142%0.42447%0.474SS..Hα-helixtrans-66.7-43.5174.9-63.8177.8000111.5Y189 I190 N195 F196Y189-L193 HydrophobicContact CD1-CD1 4.42Å; Y189-L193 HydrophobicContact CE1-CD1 3.84Å; Y189-L193 HydrophobicContact CE2-CD1 4.16Å; Y189-L193 HydrophobicContact CE2-CD2 4.04Å; Y189-L193 HydrophobicContact CE2-CG 4.01Å; Y189-L193 PolarHBondContact O-N 3.17Å; Y189-L193 VanDerWaalsContact O-N 3.12Å; I190-L193 WeakPolarHBondContact O-CB 3.4Å; I190-L193 PolarHBondContact O-N 2.94Å; I190-L193 VanDerWaalsContact O-N 3.14Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.34Å; L193-F196 WeakPolarHBondContact O-CB 3.26Å; L193-F196 PolarHBondContact O-N 2.79Å
194L88.8Confident85.8Confident112 Ų11289.5 Ų89.559%0.58648%0.477SS*.Hα-helixtrans-67-34.6177.8-68175.7000112.1I190 A191 F196 F197 A198I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.19Å; I190-L194 WeakPolarHBondContact O-CG 2.89Å; I190-L194 PolarHBondContact O-N 3.21Å; A191-L194 PolarHBondContact O-N 3.49Å; L194-F196 PolarHBondContact O-N 2.86Å; L194-F197 PolarHBondContact O-N 3.28Å; L194-A198 PolarHBondContact O-N 3.45Å
195N88.1Confident85.9Confident119 Ų11990.9 Ų90.964%0.63648%0.484SS*.Hα-helixtrans-63.2-26.3178.3-164.749.5000112.4A191 T192 L193 F197 A198A191-N195 VanDerWaalsContact O-CB 3.29Å; A191-N195 WeakPolarHBondContact O-CB 3.5Å; A191-N195 PolarHBondContact O-N 2.96Å; T192-N195 PolarHBondContact O-N 3.06Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.34Å; N195-F197 PolarHBondContact O-N 2.99Å; N195-A198 WeakPolarHBondContact O-CB 3.34Å; N195-A198 PolarHBondContact O-N 3.4Å
196F83.4Confident85.8Confident125 Ų12592.1 Ų92.155%0.54849%0.49SS..THydrogen-bonded Turntrans-60.9-31.1173-178.8-93.8000112.9L193 L194 K200L193-F196 WeakPolarHBondContact O-CB 3.26Å; L193-F196 PolarHBondContact O-N 2.79Å; L194-F196 PolarHBondContact O-N 2.86Å; F196-K200 VanDerWaalsContact O-CD 3.3Å; F196-K200 WeakPolarHBondContact O-CD 3.12Å; F196-K200 VanDerWaalsContact O-CE 3.26Å; F196-K200 WeakPolarHBondContact O-CE 3.43Å
197F82.5Confident85.8Confident115 Ų11599 Ų9950%0.50452%0.515SS..THydrogen-bonded Turntrans-91.3-15.8178.3-62.9-74.2000113.1L194 N195L194-F197 PolarHBondContact O-N 3.28Å; N195-F197 PolarHBondContact O-N 2.99Å
198A82Confident85.8Confident59 Ų59100.1 Ų100.149%0.48852%0.523SS..THydrogen-bonded Turntrans-67.3134.3170.800000109.2L194 N195 K200L194-A198 PolarHBondContact O-N 3.45Å; N195-A198 WeakPolarHBondContact O-CB 3.34Å; N195-A198 PolarHBondContact O-N 3.4Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 2.83Å
199G78.8Confident85.7Confident40 Ų40102.6 Ų102.641%0.41253%0.529SS..THydrogen-bonded Turntrans89.3-24.3178.600000116.6H204G199-H204 WeakPolarHBondContact CA-CD2 3.33Å; G199-H204 PolarHBondContact N-CD2 3.18Å
200K78.8Confident85.5Confident135 Ų135105.2 Ų105.259%0.58754%0.542SS*.  trans-94.7-5.2-171.4-61-172.3-174.1175.20115.5F196 A198F196-K200 VanDerWaalsContact O-CD 3.3Å; F196-K200 WeakPolarHBondContact O-CD 3.12Å; F196-K200 VanDerWaalsContact O-CE 3.26Å; F196-K200 WeakPolarHBondContact O-CE 3.43Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-K200 PolarHBondContact O-N 2.83Å
201R81Confident85.4Confident166 Ų166105.8 Ų105.863%0.62655%0.545SS*.SBendtrans-80.5145.9179.5-67.7-167.3175.3117.6-0.2110.2S203 H204R201-S203 PolarHBondContact O-N 3.32Å; R201-H204 WeakPolarHBondContact O-CB 3.42Å; R201-H204 PolarHBondContact O-N 3.37Å
202Q79.7Confident85.2Confident206 Ų206108.2 Ų108.296%0.96355%0.55SS**THydrogen-bonded Turntrans-60.1-28.1174.4-169.4176.316.200112.7H204Q202-H204 VanDerWaalsContact C-N 3.29Å
203S82Confident85.1Confident100 Ų100109 Ų10970%0.69955%0.552SS**THydrogen-bonded Turntrans-85.35.4174.257.70000114.1R201 V205R201-S203 PolarHBondContact O-N 3.32Å; S203-V205 PolarHBondContact O-N 2.91Å
204H85.6Confident84.7Confident75 Ų75107.1 Ų107.135%0.34755%0.548SS..  trans-67132177.4177.4-94.9000110G199 R201 Q202 S206G199-H204 WeakPolarHBondContact CA-CD2 3.33Å; G199-H204 PolarHBondContact N-CD2 3.18Å; R201-H204 WeakPolarHBondContact O-CB 3.42Å; R201-H204 PolarHBondContact O-N 3.37Å; Q202-H204 VanDerWaalsContact C-N 3.29Å; H204-S206 PolarHBondContact CE1-OG 3.46Å
205V85.7Confident84.6Confident53 Ų53106.3 Ų106.332%0.32155%0.547SS..  trans-117.7119.5175.5-179.90000108.1S203 Y207 E210 L211S203-V205 PolarHBondContact O-N 2.91Å; V205-Y207 WeakPolarHBondContact CG1-O 3.45Å; V205-E210 HydrophobicContact CG1-CB 3.94Å; V205-E210 HydrophobicContact CG1-CG 4.27Å; V205-L211 HydrophobicContact CG1-CB 3.59Å; V205-L211 HydrophobicContact CG2-CB 4.37Å; V205-L211 HydrophobicContact CG2-CD1 4.07Å
206S85.3Confident84.5Confident63 Ų63108.7 Ų108.744%0.44155%0.552SS.*SBendtrans-78.8-38.6-178.1-520000111.7H204 E210H204-S206 PolarHBondContact CE1-OG 3.46Å; S206-E210 WeakPolarHBondContact CB-OE2 3.34Å; S206-E210 PolarHBondContact N-OE2 3.45Å; S206-E210 PolarHBondContact OG-OE2 3.48Å
207Y87.6Confident84.2Confident175 Ų175107.9 Ų107.969%0.68656%0.557SS**SBendtrans-138.5153.2-174.7-42.9-73.3000111.8V205 R209 E210 L211V205-Y207 WeakPolarHBondContact CG1-O 3.45Å; Y207-R209 PolarHBondContact O-N 3.27Å; Y207-R209 VanDerWaalsContact O-N 3.1Å; Y207-E210 WeakPolarHBondContact O-CB 3.3Å; Y207-E210 PolarHBondContact O-N 2.99Å; Y207-L211 PolarHBondContact O-N 3.26Å
208S87.9Confident83.7Confident91 Ų91106.3 Ų106.364%0.63656%0.558SS**Hα-helixtrans-56.3-31.6179.656.30000113.8L211 L212S208-L211 PolarHBondContact O-N 3.48Å; S208-L212 VanDerWaalsContact O-CG 3.31Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.03Å
209R88.6Confident82.8Confident199 Ų199110 Ų11075%0.75157%0.574SS**Hα-helixtrans-65.1-38.9175.6-70.8-174.5-179.8173.2-0.1112.8Y207 L211 L212 N213Y207-R209 PolarHBondContact O-N 3.27Å; Y207-R209 VanDerWaalsContact O-N 3.1Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L212 PolarHBondContact O-N 3.34Å; R209-N213 WeakPolarHBondContact O-CB 3.39Å; R209-N213 PolarHBondContact O-N 3.38Å; R209-N213 PolarHBondContact O-OD1 3.03Å
210E86.8Confident81.7Confident85 Ų85116.4 Ų116.440%0.39759%0.593SS.*Hα-helixtrans-64.5-40.9177.1-175.7179.1-168.600110.5V205 S206 Y207 N213 A214V205-E210 HydrophobicContact CG1-CB 3.94Å; V205-E210 HydrophobicContact CG1-CG 4.27Å; S206-E210 WeakPolarHBondContact CB-OE2 3.34Å; S206-E210 PolarHBondContact N-OE2 3.45Å; S206-E210 PolarHBondContact OG-OE2 3.48Å; Y207-E210 WeakPolarHBondContact O-CB 3.3Å; Y207-E210 PolarHBondContact O-N 2.99Å; E210-N213 PolarHBondContact O-N 3.44Å; E210-A214 WeakPolarHBondContact O-CB 3.32Å; E210-A214 PolarHBondContact O-N 3.16Å
211L87.5Confident80.4Confident89 Ų89114.6 Ų114.647%0.46660%0.595SS.*Hα-helixtrans-62.1-47.5174.4-179.267.7000110.8V205 Y207 S208 R209 N213 A214 V215V205-L211 HydrophobicContact CG1-CB 3.59Å; V205-L211 HydrophobicContact CG2-CB 4.37Å; V205-L211 HydrophobicContact CG2-CD1 4.07Å; Y207-L211 PolarHBondContact O-N 3.26Å; S208-L211 PolarHBondContact O-N 3.48Å; R209-L211 VanDerWaalsContact C-N 3.32Å; L211-N213 VanDerWaalsContact C-N 3.27Å; L211-N213 PolarHBondContact O-N 3.24Å; L211-A214 PolarHBondContact O-N 3.38Å; L211-V215 HydrophobicContact CD1-CG2 4.2Å; L211-V215 HydrophobicContact CG-CG2 4.32Å; L211-V215 WeakPolarHBondContact O-CB 3.36Å; L211-V215 VanDerWaalsContact O-CG2 3.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.4Å
212L88.7Confident78.9Confident103 Ų103112 Ų11254%0.53960%0.6SS.*Hα-helixtrans-60.7-39178.8-71.5173.1000111.7S208 R209 K216S208-L212 VanDerWaalsContact O-CG 3.31Å; S208-L212 WeakPolarHBondContact O-CG 3.37Å; S208-L212 PolarHBondContact O-N 3.03Å; R209-L212 PolarHBondContact O-N 3.34Å; L212-K216 WeakPolarHBondContact O-CB 3.25Å; L212-K216 VanDerWaalsContact O-CG 3.23Å; L212-K216 WeakPolarHBondContact O-CG 3.36Å; L212-K216 PolarHBondContact O-N 2.89Å; L212-K216 VanDerWaalsContact O-N 3.08Å
213N87.6Confident77.4Confident98 Ų98111.5 Ų111.552%0.52459%0.594SS.*Hα-helixtrans-67.5-45.2176-69-11.3000111.2R209 E210 L211 V215 K216 T217R209-N213 WeakPolarHBondContact O-CB 3.39Å; R209-N213 PolarHBondContact O-N 3.38Å; R209-N213 PolarHBondContact O-OD1 3.03Å; E210-N213 PolarHBondContact O-N 3.44Å; L211-N213 VanDerWaalsContact C-N 3.27Å; L211-N213 PolarHBondContact O-N 3.24Å; N213-V215 PolarHBondContact O-N 3.43Å; N213-K216 PolarHBondContact O-N 2.87Å; N213-T217 WeakPolarHBondContact O-CG2 3.3Å; N213-T217 PolarHBondContact O-N 3.42Å; N213-T217 PolarHBondContact O-OG1 3.44Å
214A83.4Confident75.7Confident42 Ų42114.2 Ų114.235%0.34760%0.6SS.*Hα-helixtrans-62-41177.700000112.5E210 L211 K216 T217 T218E210-A214 WeakPolarHBondContact O-CB 3.32Å; E210-A214 PolarHBondContact O-N 3.16Å; L211-A214 PolarHBondContact O-N 3.38Å; A214-K216 VanDerWaalsContact C-N 3.35Å; A214-T217 WeakPolarHBondContact CA-OG1 3.38Å; A214-T217 PolarHBondContact O-N 2.87Å; A214-T217 PolarHBondContact O-OG1 3.11Å; A214-T218 PolarHBondContact O-N 3.28Å; A214-T218 PolarHBondContact O-OG1 3.1Å
215V85.4Confident73.4Confident94 Ų94116.6 Ų116.657%0.5762%0.62SS**Hα-helixtrans-66.2-37.7176.1172.20000111L211 N213 T218L211-V215 HydrophobicContact CD1-CG2 4.2Å; L211-V215 HydrophobicContact CG-CG2 4.32Å; L211-V215 WeakPolarHBondContact O-CB 3.36Å; L211-V215 VanDerWaalsContact O-CG2 3.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.4Å; N213-V215 PolarHBondContact O-N 3.43Å; V215-T218 PolarHBondContact O-N 3.1Å
216K85.6Confident71.3Confident169 Ų169119.4 Ų119.474%0.73564%0.637SS**Hα-helixtrans-67.4-35.6175.2-75.3174-179.9-1740113.2L212 N213 A214 T218L212-K216 WeakPolarHBondContact O-CB 3.25Å; L212-K216 VanDerWaalsContact O-CG 3.23Å; L212-K216 WeakPolarHBondContact O-CG 3.36Å; L212-K216 PolarHBondContact O-N 2.89Å; L212-K216 VanDerWaalsContact O-N 3.08Å; N213-K216 PolarHBondContact O-N 2.87Å; A214-K216 VanDerWaalsContact C-N 3.35Å; K216-T218 VanDerWaalsContact C-N 3.34Å
217T78.1Confident69.3Low108 Ų108121.8 Ų121.866%0.66365%0.654SS**Hα-helixtrans-78.2-20.5177.951.50000113.1N213 A214 V219N213-T217 WeakPolarHBondContact O-CG2 3.3Å; N213-T217 PolarHBondContact O-N 3.42Å; N213-T217 PolarHBondContact O-OG1 3.44Å; A214-T217 WeakPolarHBondContact CA-OG1 3.38Å; A214-T217 PolarHBondContact O-N 2.87Å; A214-T217 PolarHBondContact O-OG1 3.11Å; T217-V219 VanDerWaalsContact C-N 3.33Å; T217-V219 PolarHBondContact O-N 3.28Å
218T71.7Confident67.1Low83 Ų83120.3 Ų120.351%0.50966%0.657SS.*SBendtrans-76.789.4176.2-50.10000108.2A214 V215 K216 E220A214-T218 PolarHBondContact O-N 3.28Å; A214-T218 PolarHBondContact O-OG1 3.1Å; V215-T218 PolarHBondContact O-N 3.1Å; K216-T218 VanDerWaalsContact C-N 3.34Å; T218-E220 PolarHBondContact O-N 2.91Å
219V62Low64.7Low137 Ų137121.7 Ų121.783%0.8367%0.665SS**  trans-47.8120.3166.3179.20000107.7T217T217-V219 VanDerWaalsContact C-N 3.33Å; T217-V219 PolarHBondContact O-N 3.28Å
220E56.1Low62.2Low173 Ų173123.5 Ų123.581%0.80867%0.672SS**SBendtrans9.8123.4-170.8-71.5-163.5153.800118.3T218T218-E220 PolarHBondContact O-N 2.91Å
221P51.1Low60Low97 Ų97124.8 Ų124.863%0.6369%0.688SS**  trans-60.2128.8-178.926.9-32.2000109.4K223P221-K223 PolarHBondContact O-N 3.25Å
222P50Low57.9Low112 Ų112126 Ų12673%0.72770%0.701SS**  trans-55.2123.4171.322.8-30.3000106.2L224P222-L224 PolarHBondContact O-N 3Å
223K49.2Very low55.7Low196 Ų196126.9 Ų126.985%0.85271%0.713SS**  trans-35.6104.2-179.7-73.3176.3178.8175.40107.9P221 T225P221-K223 PolarHBondContact O-N 3.25Å; K223-T225 PolarHBondContact O-N 2.87Å
224L46.2Very low53.5Low156 Ų156131.6 Ų131.682%0.81773%0.729SS**  trans-60.798.3171.1-76.8164000103.5P222 T226P222-L224 PolarHBondContact O-N 3Å; L224-T226 PolarHBondContact O-N 2.92Å
225T37.7Very low51.6Low126 Ų126137.7 Ų137.777%0.77376%0.755SS**  trans-62.493.6166.336.80000103.7K223 S227K223-T225 PolarHBondContact O-N 2.87Å; T225-S227 PolarHBondContact O-N 2.85Å
226T40.6Very low49.7Very low111 Ų111139.4 Ų139.468%0.68177%0.766SS**  trans-53.886.7158.338.50000105.5L224 L228L224-T226 PolarHBondContact O-N 2.92Å; T226-L228 PolarHBondContact O-N 3.15Å
227S42.7Very low47.6Very low113 Ų113140.3 Ų140.379%0.7977%0.773SS**  trans-63.672.9145.946.90000104.8T225 C229T225-S227 PolarHBondContact O-N 2.85Å; S227-C229 PolarHBondContact O-N 3.5Å
228L41.9Very low46.1Very low144 Ų144147 Ų14775%0.75480%0.803SS**  trans-44.7116.9165.7-88.8152.5000104.9T226 R230T226-L228 PolarHBondContact O-N 3.15Å; L228-R230 PolarHBondContact O-N 2.84Å
229C37.9Very low44.9Very low120 Ų120150.2 Ų150.281%0.81182%0.818SS**  trans-30.4112.9168.5-64.60000108.5S227 P231S227-C229 PolarHBondContact O-N 3.5Å; C229-P231 WeakPolarHBondContact O-CD 3.27Å
230R36.1Very low44Very low237 Ų237150.9 Ų150.989%0.89482%0.817SS**PPolyproline II helixtrans-51.4121.2168.9-94.3-176.1179.4-179.20.1106.1L228L228-R230 PolarHBondContact O-N 2.84Å
231P39.8Very low43.3Very low113 Ų113149.7 Ų149.773%0.73482%0.818SS**PPolyproline II helixtrans-58.3141.5174.222.8-30000108.2C229C229-P231 WeakPolarHBondContact O-CD 3.27Å
232P43.7Very low42.8Very low114 Ų114152.8 Ų152.874%0.7483%0.829SS**PPolyproline II helixtrans-59.6146.8-17624.3-32.6000110.4K234P232-K234 PolarHBondContact O-N 3.3Å
233P42.1Very low42.4Very low121 Ų121155.3 Ų155.379%0.78684%0.835SS**PPolyproline II helixtrans-59.8130.3-178.423.8-31.4000109.8L235P233-L235 PolarHBondContact O-N 3.03Å
234K43.3Very low41.9Very low197 Ų197152.6 Ų152.686%0.85783%0.834SS**PPolyproline II helixtrans-58.2122.3169.5-74.5-178.8175.4-178.20107.6P232 T236P232-K234 PolarHBondContact O-N 3.3Å; K234-T236 PolarHBondContact O-N 2.58Å; K234-T236 VanDerWaalsContact O-N 3.12Å
235L42.8Very low41.6Very low170 Ų170152.4 Ų152.489%0.8984%0.835SS**  trans-60.2112.4164-85.4121.3000107.2P233 E237P233-L235 PolarHBondContact O-N 3.03Å; L235-E237 PolarHBondContact O-N 3.44Å
236T44.7Very low41.9Very low131 Ų131154.4 Ų154.480%0.80484%0.84SS**  trans-69116.6167.4-420000106.7K234 L238K234-T236 PolarHBondContact O-N 2.58Å; K234-T236 VanDerWaalsContact O-N 3.12Å; T236-L238 PolarHBondContact O-N 2.6Å
237E42.5Very low42Very low188 Ų188158 Ų15888%0.87985%0.853SS**  trans-60.1123.3169.1-65.9-178.8162.900108.3L235L235-E237 PolarHBondContact O-N 3.44Å
238L46.9Very low42Very low248 Ų248162.1 Ų162.1100%1.29886%0.859SS**  trans-94.70155.4-85.8167.2000107.4T236T236-L238 PolarHBondContact O-N 2.6Å

Retrieved 238 of 238 residues in 57.9 ms (Link to these results)