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Cytochrome b

Component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex) that is part of the mitochondrial respiratory chain. The b-c1 complex mediates electron transfer from ubiquinol to cytochrome c. Contributes to the generation of a proton gradient across the mitochondrial membrane that is then used for ATP synthesis.

AlphaFold DB , UniProt , Accession A0A023R1Q4, Species HUMAN (Homo sapiens, Human), Gene CYTB, Length 380 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.4Confident92.2Very high244 Ų244115.2 Ų115.2100%1.20260%0.596SS**  0135.10-71.5175.4173.400108.5
2T88.3Confident92.4Very high102 Ų102114 Ų11463%0.62658%0.583SS**  trans-65.9133.8172.630.20000109.3I7T2-I7 WeakPolarHBondContact O-CD1 3.46Å; T2-I7 WeakPolarHBondContact OG1-CD1 3.17Å
3P93.2Very high92.4Very high62 Ų62114.5 Ų114.540%0.40359%0.586SS.*  trans-69.6147.6-176.228.8-35.1000110.7R5 K6P3-R5 HydrophobicContact CB-CG 4.18Å; P3-R5 HydrophobicContact CG-CG 4.12Å; P3-R5 PolarHBondContact O-N 3.34Å; P3-K6 HydrophobicContact CG-CB 4.4Å; P3-K6 HydrophobicContact CG-CD 3.98Å; P3-K6 HydrophobicContact CG-CG 3.99Å; P3-K6 PolarHBondContact O-N 2.96Å
4M93.7Very high92.5Very high155 Ų155113.2 Ų113.276%0.76458%0.58SS**Hα-helixtrans-52.5-34.2179.5-75.9-174.2172.200112.9K6 I7 N8M4-K6 PolarHBondContact O-N 3.28Å; M4-I7 PolarHBondContact O-N 3.27Å; M4-N8 PolarHBondContact O-N 2.89Å
5R94.9Very high92.7Very high100 Ų100105.7 Ų105.738%0.37754%0.541SS..Hα-helixtrans-58.6-19.9177.379.6-176.6-161.8-161.33114.7P3 M11 K12 N15 D20P3-R5 HydrophobicContact CB-CG 4.18Å; P3-R5 HydrophobicContact CG-CG 4.12Å; P3-R5 PolarHBondContact O-N 3.34Å; R5-M11 CarbonylContact O-C 3.34Å; R5-K12 VanDerWaalsContact O-CA 3.32Å; R5-K12 WeakPolarHBondContact O-CA 3.38Å; R5-K12 PolarHBondContact O-N 2.72Å; R5-N15 HydrophobicContact CB-CB 4.43Å; R5-N15 WeakPolarHBondContact CD-OD1 3.48Å; R5-N15 HydrophobicContact CG-CB 4.45Å; R5-N15 WeakPolarHBondContact CG-OD1 3.46Å; R5-N15 PolarHBondContact NE-OD1 3.5Å; R5-N15 VanDerWaalsContact O-CB 3.25Å; R5-N15 WeakPolarHBondContact O-CB 3.18Å; R5-D20 IonicContact CZ-OD1 3.63Å; R5-D20 IonicContact NE-OD2 3.93Å; R5-D20 IonicContact NH2-OD1 2.76Å; R5-D20 PolarHBondContact NH2-OD1 3Å; R5-D20 IonicContact NH2-OD2 3.51Å
6K93.9Very high92.8Very high98 Ų98105.3 Ų105.343%0.42654%0.536SS..Hα-helixtrans-100.6-13.3177.3-66.5-173.2179-167.50113.5P3 M4 D20P3-K6 HydrophobicContact CG-CB 4.4Å; P3-K6 HydrophobicContact CG-CD 3.98Å; P3-K6 HydrophobicContact CG-CG 3.99Å; P3-K6 PolarHBondContact O-N 2.96Å; M4-K6 PolarHBondContact O-N 3.28Å; K6-D20 WeakPolarHBondContact CE-OD2 3.31Å; K6-D20 IonicContact NZ-OD2 3.26Å; K6-D20 PolarHBondContact NZ-OD2 3.02Å
7I94.6Very high92.8Very high103 Ų103100.5 Ų100.553%0.52851%0.514SS..Hα-helixtrans-105.6-49-173.1-55.9169.8000110.9T2 M4T2-I7 WeakPolarHBondContact O-CD1 3.46Å; T2-I7 WeakPolarHBondContact OG1-CD1 3.17Å; M4-I7 PolarHBondContact O-N 3.27Å
8N95.7Very high92.7Very high67 Ų67101.6 Ų101.636%0.35852%0.515SS..SBendtrans-63.4127.8-177175.2-78.8000109.7M4 L10 M11 K12M4-N8 PolarHBondContact O-N 2.89Å; N8-L10 VanDerWaalsContact C-N 3.29Å; N8-L10 PolarHBondContact O-N 2.93Å; N8-L10 PolarHBondContact OD1-N 3.22Å; N8-L10 VanDerWaalsContact OD1-N 3.08Å; N8-M11 HydrophobicContact CB-CB 4.05Å; N8-M11 HydrophobicContact CB-CG 4.1Å; N8-M11 HydrophobicContact CB-SD 4.23Å; N8-M11 PolarHBondContact O-N 2.88Å; N8-M11 PolarHBondContact OD1-N 2.96Å; N8-K12 WeakPolarHBondContact O-CB 3.35Å; N8-K12 PolarHBondContact O-N 3.45Å
9P93.8Very high92.9Very high109 Ų10998.5 Ų98.571%0.70850%0.5SS*.Hα-helixtrans-55.2-39-173.1-29.235.4000114.8
10L92Very high93.1Very high133 Ų13395.3 Ų95.370%0.69648%0.483SS*.Hα-helixtrans-76-48.2178.8-65.4176000111.4N8 K12 L13 I14N8-L10 VanDerWaalsContact C-N 3.29Å; N8-L10 PolarHBondContact O-N 2.93Å; N8-L10 PolarHBondContact OD1-N 3.22Å; N8-L10 VanDerWaalsContact OD1-N 3.08Å; L10-K12 PolarHBondContact O-N 3.13Å; L10-L13 WeakPolarHBondContact O-CB 3.39Å; L10-L13 PolarHBondContact O-N 3Å; L10-I14 PolarHBondContact O-N 3.2Å
11M93.2Very high93.3Very high94 Ų9492 Ų9246%0.46347%0.467SS..Hα-helixtrans-64.8-29.6179.3-61.5-176.5171.300112.1R5 N8 I14 N15R5-M11 CarbonylContact O-C 3.34Å; N8-M11 HydrophobicContact CB-CB 4.05Å; N8-M11 HydrophobicContact CB-CG 4.1Å; N8-M11 HydrophobicContact CB-SD 4.23Å; N8-M11 PolarHBondContact O-N 2.88Å; N8-M11 PolarHBondContact OD1-N 2.96Å; M11-I14 PolarHBondContact O-N 3.41Å; M11-N15 VanDerWaalsContact O-CB 3.26Å; M11-N15 WeakPolarHBondContact O-CB 3.36Å; M11-N15 PolarHBondContact O-N 2.87Å
12K93.8Very high94.1Very high101 Ų10183.7 Ų83.744%0.43943%0.431SS..Hα-helixtrans-61.6-43.3175.6-179.5175.8179.2-173.60111.2R5 N8 L10 N15 H16R5-K12 VanDerWaalsContact O-CA 3.32Å; R5-K12 WeakPolarHBondContact O-CA 3.38Å; R5-K12 PolarHBondContact O-N 2.72Å; N8-K12 WeakPolarHBondContact O-CB 3.35Å; N8-K12 PolarHBondContact O-N 3.45Å; L10-K12 PolarHBondContact O-N 3.13Å; K12-N15 PolarHBondContact O-N 3.15Å; K12-H16 WeakPolarHBondContact CE-NE2 3.31Å; K12-H16 VanDerWaalsContact CG-CD2 3.48Å; K12-H16 WeakPolarHBondContact CG-CD2 3.34Å; K12-H16 PolarHBondContact O-CD2 3.46Å; K12-H16 PolarHBondContact O-N 3.36Å
13L92.8Very high94.6Very high120 Ų12079 Ų7963%0.62840%0.403SS*.Hα-helixtrans-60.2-47.2175.5-178.266.6000111.2L10 N15 H16 S17L10-L13 WeakPolarHBondContact O-CB 3.39Å; L10-L13 PolarHBondContact O-N 3Å; L13-N15 VanDerWaalsContact C-N 3.35Å; L13-N15 PolarHBondContact O-N 3.12Å; L13-H16 PolarHBondContact O-N 3.11Å; L13-S17 VanDerWaalsContact O-CB 3.23Å; L13-S17 WeakPolarHBondContact O-CB 3.39Å; L13-S17 PolarHBondContact O-N 3.08Å; L13-S17 PolarHBondContact O-OG 3.19Å
14I93.6Very high94.8Very high97 Ų9776 Ų7650%0.49738%0.383SS..Hα-helixtrans-61.9-44.3176.7-61.2172.4000110.4L10 M11 H16 S17 F18L10-I14 PolarHBondContact O-N 3.2Å; M11-I14 PolarHBondContact O-N 3.41Å; I14-H16 PolarHBondContact O-N 3.13Å; I14-S17 PolarHBondContact O-N 3.41Å; I14-F18 WeakPolarHBondContact O-CB 3.39Å; I14-F18 PolarHBondContact O-N 3.42Å
15N95.8Very high95Very high0 Ų070.7 Ų70.70%036%0.361CS..Iπ-helixtrans-61.8-46.6-178.5-17679.9000111.8R5 M11 K12 L13 S17 I19 D20R5-N15 HydrophobicContact CB-CB 4.43Å; R5-N15 WeakPolarHBondContact CD-OD1 3.48Å; R5-N15 HydrophobicContact CG-CB 4.45Å; R5-N15 WeakPolarHBondContact CG-OD1 3.46Å; R5-N15 PolarHBondContact NE-OD1 3.5Å; R5-N15 VanDerWaalsContact O-CB 3.25Å; R5-N15 WeakPolarHBondContact O-CB 3.18Å; M11-N15 VanDerWaalsContact O-CB 3.26Å; M11-N15 WeakPolarHBondContact O-CB 3.36Å; M11-N15 PolarHBondContact O-N 2.87Å; K12-N15 PolarHBondContact O-N 3.15Å; L13-N15 VanDerWaalsContact C-N 3.35Å; L13-N15 PolarHBondContact O-N 3.12Å; N15-S17 VanDerWaalsContact C-N 3.32Å; N15-S17 PolarHBondContact O-N 3.11Å; N15-I19 PolarHBondContact O-N 3.09Å; N15-D20 PolarHBondContact ND2-OD2 3.12Å; N15-D20 PolarHBondContact O-N 2.99Å; N15-D20 PolarHBondContact OD1-OD2 3.2Å
16H94Very high95.2Very high100 Ų10068.6 Ų68.646%0.46336%0.357SS..Iπ-helixtrans-71.4-26.3179-74-67.1000113.5K12 L13 I14 L21K12-H16 WeakPolarHBondContact CE-NE2 3.31Å; K12-H16 VanDerWaalsContact CG-CD2 3.48Å; K12-H16 WeakPolarHBondContact CG-CD2 3.34Å; K12-H16 PolarHBondContact O-CD2 3.46Å; K12-H16 PolarHBondContact O-N 3.36Å; L13-H16 PolarHBondContact O-N 3.11Å; I14-H16 PolarHBondContact O-N 3.13Å; H16-L21 WeakPolarHBondContact O-CB 3.43Å
17S92.3Very high95.4Very high23 Ų2364.7 Ų64.716%0.16134%0.341CS..Iπ-helixtrans-92.9-24.1-176.9-57.20000114L13 I14 N15L13-S17 VanDerWaalsContact O-CB 3.23Å; L13-S17 WeakPolarHBondContact O-CB 3.39Å; L13-S17 PolarHBondContact O-N 3.08Å; L13-S17 PolarHBondContact O-OG 3.19Å; I14-S17 PolarHBondContact O-N 3.41Å; N15-S17 VanDerWaalsContact C-N 3.32Å; N15-S17 PolarHBondContact O-N 3.11Å
18F92.2Very high95.6Very high120 Ų12061.5 Ų61.553%0.52633%0.328SS..Iπ-helixtrans-135.7-24.1-171.6-81-84.7000115.6I14 F220I14-F18 WeakPolarHBondContact O-CB 3.39Å; I14-F18 PolarHBondContact O-N 3.42Å; F18-F220 WeakPolarHBondContact O-CD1 3.48Å
19I96.4Very high95.7Very high44 Ų4461.6 Ų61.623%0.22634%0.338CS..Iπ-helixtrans-103.2-67.8-173.2-55.1177.7000110.3N15 L21 F220 H221N15-I19 PolarHBondContact O-N 3.09Å; I19-L21 VanDerWaalsContact C-N 3.29Å; I19-L21 PolarHBondContact O-N 2.8Å; I19-F220 PolarHBondContact O-N 3.17Å; I19-H221 HydrophobicContact CG2-CB 4.13Å; I19-H221 PolarHBondContact O-N 2.79Å
20D97.3Very high95.9Very high33 Ų3361 Ų6118%0.17632%0.322CS..SBendtrans-91.912.7-176.4-66.7-13.1000111.7R5 K6 N15 P22R5-D20 IonicContact CZ-OD1 3.63Å; R5-D20 IonicContact NE-OD2 3.93Å; R5-D20 IonicContact NH2-OD1 2.76Å; R5-D20 PolarHBondContact NH2-OD1 3Å; R5-D20 IonicContact NH2-OD2 3.51Å; K6-D20 WeakPolarHBondContact CE-OD2 3.31Å; K6-D20 IonicContact NZ-OD2 3.26Å; K6-D20 PolarHBondContact NZ-OD2 3.02Å; N15-D20 PolarHBondContact ND2-OD2 3.12Å; N15-D20 PolarHBondContact O-N 2.99Å; N15-D20 PolarHBondContact OD1-OD2 3.2Å; D20-P22 WeakPolarHBondContact O-CD 3.17Å
21L97.4Very high96.3Very high26 Ų2655.8 Ų55.814%0.13629%0.293CS..  trans-60117179.1176.167.2000110.4H16 I19 T23 F220H16-L21 WeakPolarHBondContact O-CB 3.43Å; I19-L21 VanDerWaalsContact C-N 3.29Å; I19-L21 PolarHBondContact O-N 2.8Å; L21-T23 PolarHBondContact O-N 3.29Å; L21-T23 PolarHBondContact O-OG1 3.48Å; L21-F220 HydrophobicContact CB-CB 3.94Å; L21-F220 HydrophobicContact CD2-CD2 4.24Å; L21-F220 PolarHBondContact O-N 3.38Å
22P97.4Very high96.5Very high70 Ų7051.8 Ų51.846%0.45527%0.274SS..EExtended strand (participates in β ladder)trans-72.1112.5178.2-17.532.9000110.9D20 K217D20-P22 WeakPolarHBondContact O-CD 3.17Å; P22-K217 HydrophobicContact CB-CB 4.14Å; P22-K217 HydrophobicContact CB-CD 3.63Å
23T98.1Very high96.8Very high4 Ų448.6 Ų48.63%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-117.9139.6-174.4-51.30000109.4L21 S25 I27 K217 I218 Y224L21-T23 PolarHBondContact O-N 3.29Å; L21-T23 PolarHBondContact O-OG1 3.48Å; T23-S25 PolarHBondContact O-N 2.99Å; T23-I27 HydrophobicContact CG2-CD1 3.62Å; T23-I27 HydrophobicContact CG2-CG1 4.27Å; T23-K217 WeakPolarHBondContact O-CA 3.46Å; T23-I218 PolarHBondContact N-O 2.68Å; T23-I218 PolarHBondContact O-N 2.94Å; T23-Y224 HydrophobicContact CG2-CD2 3.49Å; T23-Y224 VanDerWaalsContact CG2-CD2 3.49Å; T23-Y224 HydrophobicContact CG2-CE2 3.29Å; T23-Y224 HydrophobicContact CG2-CG 4.33Å
24P98.3Very high97Very high0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-51.9138.8175.3-18.826000110.7N26 I27 S205 N207 S213 Y224P24-N26 PolarHBondContact O-N 3.01Å; P24-I27 HydrophobicContact CB-CG2 4.12Å; P24-I27 HydrophobicContact CG-CG2 4.17Å; P24-S205 WeakPolarHBondContact CG-O 3.45Å; P24-N207 HydrophobicContact CB-CB 3.86Å; P24-N207 HydrophobicContact CG-CB 4.18Å; P24-S213 WeakPolarHBondContact CB-OG 3.39Å; P24-S213 WeakPolarHBondContact CG-OG 3.41Å; P24-Y224 PolarHBondContact O-OH 3.47Å
25S98.3Very high97.2Very high42 Ų4242 Ų4229%0.29424%0.237SC..THydrogen-bonded Turntrans-66.9-20.6-177.262.70000114.5T23 D216 Y224T23-S25 PolarHBondContact O-N 2.99Å; S25-D216 VanDerWaalsContact CB-OD2 3.28Å; S25-D216 WeakPolarHBondContact CB-OD2 3.48Å; S25-D216 PolarHBondContact N-O 2.88Å; S25-D216 PolarHBondContact OG-OD2 3.49Å; S25-Y224 VanDerWaalsContact C-OH 3.28Å; S25-Y224 PolarHBondContact O-OH 2.68Å
26N98.3Very high97.4Very high56 Ų5642.6 Ų42.630%0.29924%0.24SC..THydrogen-bonded Turntrans-11115.5-166.669.6-29.6000114.8P24 S28 N207 P208 L209P24-N26 PolarHBondContact O-N 3.01Å; N26-S28 PolarHBondContact O-N 2.88Å; N26-N207 PolarHBondContact ND2-OD1 2.61Å; N26-N207 WeakPolarHBondContact OD1-CB 3.37Å; N26-P208 VanDerWaalsContact O-CD 3.28Å; N26-P208 WeakPolarHBondContact O-CD 3.34Å; N26-P208 WeakPolarHBondContact O-CG 3.29Å; N26-L209 WeakPolarHBondContact ND2-CD1 3.4Å
27I98.4Very high97.6Very high17 Ų1739.3 Ų39.39%0.08723%0.226CC..  trans-68.2129.3177.653.6161.9000111.2T23 P24 W31 N206 N207 Y224 K227T23-I27 HydrophobicContact CG2-CD1 3.62Å; T23-I27 HydrophobicContact CG2-CG1 4.27Å; P24-I27 HydrophobicContact CB-CG2 4.12Å; P24-I27 HydrophobicContact CG-CG2 4.17Å; I27-W31 HydrophobicContact CB-CB 4.05Å; I27-W31 HydrophobicContact CB-CD2 3.75Å; I27-W31 HydrophobicContact CB-CE3 4.2Å; I27-W31 HydrophobicContact CB-CG 3.65Å; I27-W31 HydrophobicContact CD1-CB 3.79Å; I27-W31 HydrophobicContact CD1-CG 3.91Å; I27-W31 HydrophobicContact CG1-CB 4.38Å; I27-W31 HydrophobicContact CG1-CG 4.35Å; I27-W31 HydrophobicContact CG2-CD2 3.77Å; I27-W31 HydrophobicContact CG2-CE3 4.45Å; I27-W31 HydrophobicContact CG2-CG 3.85Å; I27-W31 HydrophobicContact CG2-CZ2 4.26Å; I27-N206 VanDerWaalsContact CG2-O 3.29Å; I27-N206 WeakPolarHBondContact CG2-O 3.46Å; I27-N207 HydrophobicContact CG2-CB 4.1Å; I27-Y224 HydrophobicContact CD1-CD1 3.78Å; I27-Y224 HydrophobicContact CD1-CD2 4.47Å; I27-Y224 HydrophobicContact CD1-CE1 3.47Å; I27-Y224 VanDerWaalsContact CD1-CE1 3.47Å; I27-Y224 HydrophobicContact CD1-CE2 4.15Å; I27-Y224 HydrophobicContact CD1-CG 4.31Å; I27-Y224 HydrophobicContact CG1-CD1 4.09Å; I27-Y224 HydrophobicContact CG1-CE1 3.25Å; I27-Y224 HydrophobicContact CG1-CE2 4.12Å; I27-Y224 WeakPolarHBondContact CG1-OH 3.39Å; I27-K227 PolarHBondContact O-NZ 3.34Å
28S98.4Very high97.9Very high35 Ų3539.8 Ų39.825%0.24524%0.235CC..  trans-82.2-177.8-175.564.80000112.6N26 W30 W31 K227N26-S28 PolarHBondContact O-N 2.88Å; S28-W30 PolarHBondContact O-N 2.74Å; S28-W30 VanDerWaalsContact O-N 3.13Å; S28-W31 PolarHBondContact O-N 3.33Å; S28-W31 VanDerWaalsContact O-N 3.13Å; S28-K227 VanDerWaalsContact C-NZ 3.26Å; S28-K227 PolarHBondContact O-NZ 2.85Å
29A98.4Very high98.2Very high70 Ų7035.3 Ų35.358%0.57922%0.22SC*.G310 helixtrans-57.3-24.5177.400000113.4W31 N32A29-W31 PolarHBondContact O-N 2.75Å; A29-W31 VanDerWaalsContact O-N 3.12Å; A29-N32 WeakPolarHBondContact CA-OD1 3.38Å; A29-N32 VanDerWaalsContact O-CB 3.26Å; A29-N32 WeakPolarHBondContact O-CB 3.35Å; A29-N32 PolarHBondContact O-N 3.4Å; A29-N32 PolarHBondContact O-OD1 3.31Å
30W98.6Very high98.4Very high97 Ų9733.2 Ų33.237%0.36721%0.209SC..G310 helixtrans-61.2-21.1177.1-60.9115.3000113.7S28 N32 F33 L96 R100 Y104S28-W30 PolarHBondContact O-N 2.74Å; S28-W30 VanDerWaalsContact O-N 3.13Å; W30-N32 VanDerWaalsContact C-N 3.34Å; W30-F33 HydrophobicContact CE3-CD2 4.13Å; W30-F33 AromaticContact CE3-CE2 3.59Å; W30-F33 HydrophobicContact CE3-CE2 3.59Å; W30-F33 AromaticContact CZ3-CE2 3.91Å; W30-F33 HydrophobicContact CZ3-CE2 3.91Å; W30-F33 WeakPolarHBondContact O-CD2 3.41Å; W30-L96 HydrophobicContact CZ3-CB 4.45Å; W30-L96 HydrophobicContact CZ3-CD2 4.1Å; W30-R100 HydrophobicContact CB-CB 4.11Å; W30-R100 HydrophobicContact CB-CG 3.54Å; W30-Y104 HydrophobicContact CB-CE2 4.24Å; W30-Y104 AromaticContact CD1-CE2 3.87Å; W30-Y104 HydrophobicContact CG-CE2 4.2Å
31W98.7Very high98.4Very high22 Ų2232.5 Ų32.58%0.08321%0.205CC..G310 helixtrans-77.3-18.7175.3-86.9-113.2000113.9I27 S28 A29 F33 G34 R100 Y104 N206 P208I27-W31 HydrophobicContact CB-CB 4.05Å; I27-W31 HydrophobicContact CB-CD2 3.75Å; I27-W31 HydrophobicContact CB-CE3 4.2Å; I27-W31 HydrophobicContact CB-CG 3.65Å; I27-W31 HydrophobicContact CD1-CB 3.79Å; I27-W31 HydrophobicContact CD1-CG 3.91Å; I27-W31 HydrophobicContact CG1-CB 4.38Å; I27-W31 HydrophobicContact CG1-CG 4.35Å; I27-W31 HydrophobicContact CG2-CD2 3.77Å; I27-W31 HydrophobicContact CG2-CE3 4.45Å; I27-W31 HydrophobicContact CG2-CG 3.85Å; I27-W31 HydrophobicContact CG2-CZ2 4.26Å; S28-W31 PolarHBondContact O-N 3.33Å; S28-W31 VanDerWaalsContact O-N 3.13Å; A29-W31 PolarHBondContact O-N 2.75Å; A29-W31 VanDerWaalsContact O-N 3.12Å; W31-F33 PolarHBondContact O-N 3.19Å; W31-G34 PolarHBondContact O-N 3.32Å; W31-R100 VanDerWaalsContact CE2-NH1 3.3Å; W31-R100 HydrophobicContact CE3-CG 4.36Å; W31-R100 HydrophobicContact CZ3-CG 4.27Å; W31-Y104 HydrophobicContact CH2-CD1 4.12Å; W31-Y104 AromaticContact CH2-CD2 3.55Å; W31-Y104 HydrophobicContact CH2-CD2 3.55Å; W31-Y104 AromaticContact CH2-CE2 3.98Å; W31-Y104 HydrophobicContact CH2-CE2 3.98Å; W31-Y104 AromaticContact CH2-CG 3.6Å; W31-Y104 HydrophobicContact CH2-CG 3.6Å; W31-Y104 AromaticContact CZ3-CD2 3.62Å; W31-Y104 HydrophobicContact CZ3-CD2 3.62Å; W31-Y104 AromaticContact CZ3-CE2 3.58Å; W31-Y104 HydrophobicContact CZ3-CE2 3.58Å; W31-Y104 HydrophobicContact CZ3-CG 4.1Å; W31-N206 VanDerWaalsContact CE2-O 3.29Å; W31-N206 HydrophobicContact CZ2-CB 4.32Å; W31-N206 VanDerWaalsContact CZ2-O 3.28Å; W31-N206 WeakPolarHBondContact CZ2-O 3.31Å; W31-N206 PolarHBondContact NE1-O 3.34Å; W31-P208 HydrophobicContact CH2-CG 4.09Å; W31-P208 HydrophobicContact CZ3-CG 3.84Å
32N98.7Very high98.5Very high11 Ų1136.6 Ų36.66%0.05923%0.226CC..G310 helixtrans-66-23.3178.4-6764000112.6A29 W30 G34 S35 L36 K227 D228A29-N32 WeakPolarHBondContact CA-OD1 3.38Å; A29-N32 VanDerWaalsContact O-CB 3.26Å; A29-N32 WeakPolarHBondContact O-CB 3.35Å; A29-N32 PolarHBondContact O-N 3.4Å; A29-N32 PolarHBondContact O-OD1 3.31Å; W30-N32 VanDerWaalsContact C-N 3.34Å; N32-G34 PolarHBondContact O-N 3.39Å; N32-G34 VanDerWaalsContact O-N 3.08Å; N32-S35 PolarHBondContact O-N 3.17Å; N32-S35 VanDerWaalsContact O-N 3.11Å; N32-S35 PolarHBondContact O-OG 2.99Å; N32-L36 WeakPolarHBondContact O-CG 3.35Å; N32-L36 PolarHBondContact O-N 2.71Å; N32-K227 PolarHBondContact ND2-O 3.25Å; N32-K227 WeakPolarHBondContact OD1-CE 3.47Å; N32-K227 PolarHBondContact OD1-NZ 3.46Å; N32-D228 PolarHBondContact ND2-OD1 3.41Å
33F98.8Very high98.6Very high33 Ų3334.7 Ų34.715%0.14521%0.212CC..Hα-helixtrans-62.4-20.2-179.3-70.2-68.2000113.4W30 W31 L36 L37 C93 L96 H97W30-F33 HydrophobicContact CE3-CD2 4.13Å; W30-F33 AromaticContact CE3-CE2 3.59Å; W30-F33 HydrophobicContact CE3-CE2 3.59Å; W30-F33 AromaticContact CZ3-CE2 3.91Å; W30-F33 HydrophobicContact CZ3-CE2 3.91Å; W30-F33 WeakPolarHBondContact O-CD2 3.41Å; W31-F33 PolarHBondContact O-N 3.19Å; F33-L36 HydrophobicContact CD1-CD1 3.96Å; F33-L36 HydrophobicContact CE1-CD1 4.1Å; F33-L37 WeakPolarHBondContact O-CB 3.22Å; F33-L37 WeakPolarHBondContact O-CD1 3.46Å; F33-L37 WeakPolarHBondContact O-CG 3.5Å; F33-L37 PolarHBondContact O-N 3.03Å; F33-L37 VanDerWaalsContact O-N 3.08Å; F33-C93 HydrophobicContact CD1-CB 4.03Å; F33-L96 HydrophobicContact CD1-CB 4.1Å; F33-L96 HydrophobicContact CD1-CD1 4.41Å; F33-L96 HydrophobicContact CD2-CB 3.95Å; F33-L96 HydrophobicContact CE1-CB 3.95Å; F33-L96 HydrophobicContact CE1-CD1 3.5Å; F33-L96 VanDerWaalsContact CE1-CD1 3.5Å; F33-L96 HydrophobicContact CE1-CG 4.36Å; F33-L96 HydrophobicContact CE2-CB 3.8Å; F33-L96 HydrophobicContact CE2-CD1 4.09Å; F33-L96 HydrophobicContact CG-CB 4.12Å; F33-L96 HydrophobicContact CZ-CB 3.81Å; F33-L96 HydrophobicContact CZ-CD1 3.32Å; F33-L96 HydrophobicContact CZ-CG 4.18Å; F33-H97 HydrophobicContact CB-CB 3.94Å
34G98.1Very high98.6Very high32 Ų3235.6 Ų35.633%0.3322%0.216SC..Hα-helixtrans-65.1-50.617100000112.7W31 N32 L37 G38 H97W31-G34 PolarHBondContact O-N 3.32Å; N32-G34 PolarHBondContact O-N 3.39Å; N32-G34 VanDerWaalsContact O-N 3.08Å; G34-L37 PolarHBondContact O-N 3.49Å; G34-G38 PolarHBondContact O-N 2.97Å; G34-H97 PolarHBondContact N-ND1 3.38Å
35S98.3Very high98.6Very high46 Ų4637.6 Ų37.632%0.32223%0.226SC..Hα-helixtrans-70.3-34.6177.846.70000112.4N32 L37 G38 A39 D228N32-S35 PolarHBondContact O-N 3.17Å; N32-S35 VanDerWaalsContact O-N 3.11Å; N32-S35 PolarHBondContact O-OG 2.99Å; S35-L37 PolarHBondContact O-N 2.85Å; S35-G38 PolarHBondContact O-N 3.4Å; S35-A39 PolarHBondContact O-N 3.18Å; S35-D228 WeakPolarHBondContact CB-OD2 3.35Å; S35-D228 PolarHBondContact OG-OD2 2.68Å
36L98.8Very high98.7Very high14 Ų1438.7 Ų38.77%0.07323%0.231CC..Hα-helixtrans-63.3-38.1173.4-65.7-178.8000112.8N32 F33 G38 A39 C40 L232 F235N32-L36 WeakPolarHBondContact O-CG 3.35Å; N32-L36 PolarHBondContact O-N 2.71Å; F33-L36 HydrophobicContact CD1-CD1 3.96Å; F33-L36 HydrophobicContact CE1-CD1 4.1Å; L36-G38 VanDerWaalsContact C-N 3.33Å; L36-A39 WeakPolarHBondContact O-CB 3.43Å; L36-A39 PolarHBondContact O-N 3.47Å; L36-C40 PolarHBondContact O-N 3.34Å; L36-C40 PolarHBondContact O-SG 2.99Å; L36-L232 HydrophobicContact CD2-CB 4.48Å; L36-F235 HydrophobicContact CD1-CB 4.46Å; L36-F235 HydrophobicContact CD2-CB 3.66Å; L36-F235 HydrophobicContact CD2-CD2 4.42Å; L36-F235 HydrophobicContact CD2-CG 4.05Å
37L98.9Very high98.7Very high30 Ų3036.5 Ų36.516%0.15722%0.22CC..Hα-helixtrans-64.1-38.5173.6-75.5168.2000112F33 G34 S35 C40 L41 F90 C93 L94 H97F33-L37 WeakPolarHBondContact O-CB 3.22Å; F33-L37 WeakPolarHBondContact O-CD1 3.46Å; F33-L37 WeakPolarHBondContact O-CG 3.5Å; F33-L37 PolarHBondContact O-N 3.03Å; F33-L37 VanDerWaalsContact O-N 3.08Å; G34-L37 PolarHBondContact O-N 3.49Å; S35-L37 PolarHBondContact O-N 2.85Å; L37-C40 PolarHBondContact O-N 3.33Å; L37-L41 PolarHBondContact O-N 3.39Å; L37-F90 HydrophobicContact CD2-CD1 3.53Å; L37-F90 HydrophobicContact CD2-CE1 3.5Å; L37-F90 VanDerWaalsContact CD2-CE1 3.5Å; L37-C93 HydrophobicContact CD2-CB 3.78Å; L37-C93 HydrophobicContact CG-CB 4.06Å; L37-L94 HydrophobicContact CD2-CB 3.91Å; L37-L94 HydrophobicContact CD2-CG 4.42Å; L37-H97 HydrophobicContact CD1-CB 3.79Å
38G98.7Very high98.7Very high34 Ų3436.5 Ų36.535%0.35122%0.224SC..Hα-helixtrans-60.4-44171.100000112.4G34 S35 L36 L41 I42G34-G38 PolarHBondContact O-N 2.97Å; S35-G38 PolarHBondContact O-N 3.4Å; L36-G38 VanDerWaalsContact C-N 3.33Å; G38-L41 PolarHBondContact O-N 3.47Å; G38-I42 WeakPolarHBondContact O-CG1 3.5Å; G38-I42 PolarHBondContact O-N 2.86Å; G38-I42 VanDerWaalsContact O-N 3.08Å
39A98.8Very high98.7Very high26 Ų2638.5 Ų38.522%0.21523%0.232CC..Hα-helixtrans-63.8-41.4175.200000112.4S35 L36 L41 I42 L43 L232S35-A39 PolarHBondContact O-N 3.18Å; L36-A39 WeakPolarHBondContact O-CB 3.43Å; L36-A39 PolarHBondContact O-N 3.47Å; A39-L41 PolarHBondContact O-N 2.88Å; A39-I42 PolarHBondContact O-N 3.47Å; A39-L43 WeakPolarHBondContact O-CB 3.4Å; A39-L43 PolarHBondContact O-N 2.85Å; A39-L232 HydrophobicContact CB-CD1 3.73Å
40C98.9Very high98.7Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-59.2-46.1174-66.30000111L36 L37 I42 L43 Q44 F90 F235L36-C40 PolarHBondContact O-N 3.34Å; L36-C40 PolarHBondContact O-SG 2.99Å; L37-C40 PolarHBondContact O-N 3.33Å; C40-I42 PolarHBondContact O-N 3.29Å; C40-L43 WeakPolarHBondContact O-CB 3.29Å; C40-L43 PolarHBondContact O-N 3.1Å; C40-Q44 WeakPolarHBondContact O-CG 3.28Å; C40-Q44 PolarHBondContact O-N 3.42Å; C40-F90 HydrophobicContact CB-CB 4.06Å; C40-F90 HydrophobicContact CB-CD1 4.39Å; C40-F90 HydrophobicContact CB-CD2 3.52Å; C40-F90 HydrophobicContact CB-CE2 4.01Å; C40-F90 HydrophobicContact CB-CG 3.72Å; C40-F235 WeakPolarHBondContact SG-CE2 3.45Å; C40-F235 WeakPolarHBondContact SG-CZ 3.39Å
41L98.9Very high98.8Very high17 Ų1737 Ų379%0.08922%0.216CC..Hα-helixtrans-61.5-44.6179.4-17761.5000112.2L37 G38 A39 Q44 I45 F90 P186 I189 A190L37-L41 PolarHBondContact O-N 3.39Å; G38-L41 PolarHBondContact O-N 3.47Å; A39-L41 PolarHBondContact O-N 2.88Å; L41-Q44 PolarHBondContact O-N 2.81Å; L41-I45 HydrophobicContact CD1-CD1 3.95Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.92Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.15Å; L41-F90 HydrophobicContact CB-CE2 4.06Å; L41-F90 HydrophobicContact CB-CZ 4.3Å; L41-F90 HydrophobicContact CD1-CE2 4.25Å; L41-P186 HydrophobicContact CD1-CB 4.49Å; L41-I189 HydrophobicContact CD1-CB 4.34Å; L41-I189 HydrophobicContact CD1-CG2 3.87Å; L41-I189 HydrophobicContact CD2-CG2 3.98Å; L41-A190 HydrophobicContact CD2-CB 3.95Å
42I98.9Very high98.8Very high112 Ų11237 Ų3757%0.57422%0.221SC*.Hα-helixtrans-62.7-44.5176-66.6167.8000110.5G38 A39 C40 Q44 I45 T46G38-I42 WeakPolarHBondContact O-CG1 3.5Å; G38-I42 PolarHBondContact O-N 2.86Å; G38-I42 VanDerWaalsContact O-N 3.08Å; A39-I42 PolarHBondContact O-N 3.47Å; C40-I42 PolarHBondContact O-N 3.29Å; I42-Q44 PolarHBondContact O-N 2.71Å; I42-I45 PolarHBondContact O-N 3.22Å; I42-T46 HydrophobicContact CG2-CG2 4.26Å; I42-T46 WeakPolarHBondContact O-CB 3.26Å; I42-T46 VanDerWaalsContact O-CG2 3.28Å; I42-T46 WeakPolarHBondContact O-CG2 3.37Å; I42-T46 PolarHBondContact O-N 3.29Å; I42-T46 PolarHBondContact O-OG1 2.91Å
43L98.9Very high98.8Very high31 Ų3142.1 Ų42.116%0.16225%0.246CC..Hα-helixtrans-58-48176.1179.274000111.4A39 C40 T46 T47 L239A39-L43 WeakPolarHBondContact O-CB 3.4Å; A39-L43 PolarHBondContact O-N 2.85Å; C40-L43 WeakPolarHBondContact O-CB 3.29Å; C40-L43 PolarHBondContact O-N 3.1Å; L43-T46 PolarHBondContact O-N 3.48Å; L43-T46 PolarHBondContact O-OG1 3.46Å; L43-T47 HydrophobicContact CD1-CG2 4.04Å; L43-T47 HydrophobicContact CG-CG2 4.46Å; L43-T47 WeakPolarHBondContact O-CB 3.31Å; L43-T47 WeakPolarHBondContact O-CG2 3.42Å; L43-T47 PolarHBondContact O-N 3.36Å; L43-T47 PolarHBondContact O-OG1 2.96Å; L43-L239 HydrophobicContact CD2-CD2 3.44Å; L43-L239 VanDerWaalsContact CD2-CD2 3.44Å
44Q98.9Very high98.8Very high23 Ų2344.4 Ų44.411%0.10726%0.257CS..Hα-helixtrans-65.8-42.8-179.2-67.4-48.6107.100112.3C40 L41 I42 T47 G48 H83 G86 F90C40-Q44 WeakPolarHBondContact O-CG 3.28Å; C40-Q44 PolarHBondContact O-N 3.42Å; L41-Q44 PolarHBondContact O-N 2.81Å; I42-Q44 PolarHBondContact O-N 2.71Å; Q44-T47 PolarHBondContact O-OG1 2.93Å; Q44-G48 WeakPolarHBondContact O-CA 3.33Å; Q44-G48 PolarHBondContact O-N 3.03Å; Q44-H83 PolarHBondContact NE2-O 3.33Å; Q44-H83 PolarHBondContact O-CE1 2.99Å; Q44-H83 VanDerWaalsContact O-CE1 3.27Å; Q44-H83 PolarHBondContact O-ND1 3.35Å; Q44-H83 PolarHBondContact OE1-O 3.42Å; Q44-G86 VanDerWaalsContact OE1-CA 3.31Å; Q44-F90 HydrophobicContact CG-CD2 4.01Å
45I98.9Very high98.8Very high41 Ų4144 Ų4421%0.2125%0.246CC..Hα-helixtrans-63.5-46.6177.8-69.6169.7000110.4L41 I42 L49 P186 F187L41-I45 HydrophobicContact CD1-CD1 3.95Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.92Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.15Å; I42-I45 PolarHBondContact O-N 3.22Å; I45-L49 VanDerWaalsContact O-CB 3.28Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 PolarHBondContact O-N 2.88Å; I45-P186 HydrophobicContact CD1-CB 4.21Å; I45-P186 HydrophobicContact CG1-CB 3.68Å; I45-F187 HydrophobicContact CG2-CE1 4.01Å; I45-F187 HydrophobicContact CG2-CZ 4.19Å
46T98.9Very high98.8Very high65 Ų6544.1 Ų44.140%0.39925%0.246SC..Hα-helixtrans-66-55.3-177.951.10000111.4I42 L43 G48 L49 F50I42-T46 HydrophobicContact CG2-CG2 4.26Å; I42-T46 WeakPolarHBondContact O-CB 3.26Å; I42-T46 VanDerWaalsContact O-CG2 3.28Å; I42-T46 WeakPolarHBondContact O-CG2 3.37Å; I42-T46 PolarHBondContact O-N 3.29Å; I42-T46 PolarHBondContact O-OG1 2.91Å; L43-T46 PolarHBondContact O-N 3.48Å; L43-T46 PolarHBondContact O-OG1 3.46Å; T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.39Å; T46-L49 PolarHBondContact O-N 3.42Å; T46-F50 VanDerWaalsContact O-CD2 3.29Å; T46-F50 WeakPolarHBondContact O-CD2 3.43Å; T46-F50 PolarHBondContact O-N 2.9Å
47T98.9Very high98.7Very high10 Ų1045 Ų456%0.06125%0.253CS..Hα-helixtrans-61-41.7178.154.40000112L43 Q44 L49 F50 L51 I79 L82 H83L43-T47 HydrophobicContact CD1-CG2 4.04Å; L43-T47 HydrophobicContact CG-CG2 4.46Å; L43-T47 WeakPolarHBondContact O-CB 3.31Å; L43-T47 WeakPolarHBondContact O-CG2 3.42Å; L43-T47 PolarHBondContact O-N 3.36Å; L43-T47 PolarHBondContact O-OG1 2.96Å; Q44-T47 PolarHBondContact O-OG1 2.93Å; T47-L49 PolarHBondContact O-N 3.06Å; T47-F50 PolarHBondContact O-N 2.91Å; T47-L51 VanDerWaalsContact O-CG 3.3Å; T47-L51 WeakPolarHBondContact O-CG 3.28Å; T47-L51 PolarHBondContact O-N 2.82Å; T47-I79 HydrophobicContact CG2-CG2 4.31Å; T47-L82 HydrophobicContact CG2-CB 4.08Å; T47-H83 PolarHBondContact OG1-ND1 2.89Å
48G98.8Very high98.6Very high18 Ų1846.3 Ų46.319%0.18626%0.26CS..Hα-helixtrans-62.5-40178.400000112.9Q44 T46 L51 A52 H83Q44-G48 WeakPolarHBondContact O-CA 3.33Å; Q44-G48 PolarHBondContact O-N 3.03Å; T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.39Å; G48-L51 PolarHBondContact O-N 3.47Å; G48-A52 VanDerWaalsContact O-CB 3.32Å; G48-A52 WeakPolarHBondContact O-CB 3.5Å; G48-A52 PolarHBondContact O-N 2.9Å; G48-H83 VanDerWaalsContact CA-CE1 3.45Å; G48-H83 WeakPolarHBondContact CA-CE1 3.4Å; G48-H83 PolarHBondContact N-ND1 2.75Å
49L98.8Very high98.5Very high76 Ų7645.6 Ų45.640%0.39825%0.251SS..Hα-helixtrans-61.9-45.3175.1-178.565.7000111.6I45 T46 T47 A52 M53 F183I45-L49 VanDerWaalsContact O-CB 3.28Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 PolarHBondContact O-N 2.88Å; T46-L49 PolarHBondContact O-N 3.42Å; T47-L49 PolarHBondContact O-N 3.06Å; L49-A52 PolarHBondContact O-N 3.49Å; L49-M53 HydrophobicContact CD2-CE 4.46Å; L49-M53 HydrophobicContact CG-CE 4.04Å; L49-M53 WeakPolarHBondContact O-CG 3.38Å; L49-M53 PolarHBondContact O-N 3.44Å; L49-F183 HydrophobicContact CD1-CE2 4.22Å; L49-F183 HydrophobicContact CD1-CZ 3.99Å
50F98.8Very high98.4Very high111 Ų11149 Ų4949%0.48727%0.273SS..Hα-helixtrans-65.3-38.3176.8-82.1-80.3000112.4T46 T47 M53 H54 I79T46-F50 VanDerWaalsContact O-CD2 3.29Å; T46-F50 WeakPolarHBondContact O-CD2 3.43Å; T46-F50 PolarHBondContact O-N 2.9Å; T47-F50 PolarHBondContact O-N 2.91Å; F50-M53 HydrophobicContact CD1-SD 4.42Å; F50-M53 PolarHBondContact O-N 3.21Å; F50-H54 PolarHBondContact O-CD2 2.92Å; F50-I79 HydrophobicContact CB-CD1 4.35Å; F50-I79 HydrophobicContact CB-CG2 4.2Å
51L98.9Very high98.4Very high24 Ų2451.2 Ų51.213%0.12629%0.287CS..Hα-helixtrans-64.5-41.8174.2-67.5170.5000111.8T47 G48 M53 H54 Y55 I69 I79 R80 H83T47-L51 VanDerWaalsContact O-CG 3.3Å; T47-L51 WeakPolarHBondContact O-CG 3.28Å; T47-L51 PolarHBondContact O-N 2.82Å; G48-L51 PolarHBondContact O-N 3.47Å; L51-M53 PolarHBondContact O-N 3.42Å; L51-H54 PolarHBondContact O-N 3.07Å; L51-Y55 WeakPolarHBondContact O-CB 3.48Å; L51-Y55 PolarHBondContact O-N 2.84Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; L51-I69 HydrophobicContact CD2-CD1 4.3Å; L51-I69 HydrophobicContact CD2-CG2 3.55Å; L51-I79 HydrophobicContact CD2-CG2 3.96Å; L51-I79 HydrophobicContact CG-CG2 3.87Å; L51-R80 HydrophobicContact CD2-CB 4.1Å; L51-H83 HydrophobicContact CD1-CB 3.5Å
52A98.7Very high98.4Very high24 Ų2450.4 Ų50.420%0.19828%0.282CS..Hα-helixtrans-61.9-27.4-179.800000113.2G48 L49 H54 F179 F183G48-A52 VanDerWaalsContact O-CB 3.32Å; G48-A52 WeakPolarHBondContact O-CB 3.5Å; G48-A52 PolarHBondContact O-N 2.9Å; L49-A52 PolarHBondContact O-N 3.49Å; A52-H54 PolarHBondContact O-N 3.28Å; A52-F179 HydrophobicContact CB-CE2 4.23Å; A52-F179 HydrophobicContact CB-CZ 4.12Å; A52-F183 HydrophobicContact CB-CD2 4.25Å; A52-F183 HydrophobicContact CB-CE2 3.95Å
53M98.7Very high98.4Very high118 Ų11847.7 Ų47.758%0.58127%0.267SS*.THydrogen-bonded Turntrans-64.9-17.8175.2-64.2-179.6-168.200113.5L49 F50 L51L49-M53 HydrophobicContact CD2-CE 4.46Å; L49-M53 HydrophobicContact CG-CE 4.04Å; L49-M53 WeakPolarHBondContact O-CG 3.38Å; L49-M53 PolarHBondContact O-N 3.44Å; F50-M53 HydrophobicContact CD1-SD 4.42Å; F50-M53 PolarHBondContact O-N 3.21Å; L51-M53 PolarHBondContact O-N 3.42Å
54H98.6Very high98.3Very high81 Ų8149.3 Ų49.338%0.37528%0.281SS..THydrogen-bonded Turntrans-123.1-3.4-174.9-61.2-67.9000113.5F50 L51 A52 I69 V73F50-H54 PolarHBondContact O-CD2 2.92Å; L51-H54 PolarHBondContact O-N 3.07Å; A52-H54 PolarHBondContact O-N 3.28Å; H54-I69 HydrophobicContact CB-CD1 3.89Å; H54-I69 HydrophobicContact CB-CG1 3.5Å; H54-V73 HydrophobicContact CB-CG2 4.35Å
55Y98.8Very high98.3Very high24 Ų2448.8 Ų48.89%0.09428%0.279CS..  trans-92.6144.9-177.1175.3-108.4000111.9L51 P57 A62 S65 I66 L133 F179L51-Y55 WeakPolarHBondContact O-CB 3.48Å; L51-Y55 PolarHBondContact O-N 2.84Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; Y55-P57 HydrophobicContact CD1-CB 4.43Å; Y55-P57 HydrophobicContact CE1-CB 3.7Å; Y55-A62 HydrophobicContact CE2-CB 3.98Å; Y55-S65 VanDerWaalsContact CD2-OG 3.23Å; Y55-S65 WeakPolarHBondContact CD2-OG 3.47Å; Y55-I66 HydrophobicContact CD2-CD1 3.71Å; Y55-I66 HydrophobicContact CD2-CG1 4.21Å; Y55-I66 HydrophobicContact CE2-CD1 4.14Å; Y55-I66 HydrophobicContact CE2-CG1 4.27Å; Y55-L133 HydrophobicContact CE1-CB 4.45Å; Y55-L133 HydrophobicContact CE2-CB 4.44Å; Y55-L133 WeakPolarHBondContact CE2-O 3.5Å; Y55-L133 PolarHBondContact OH-O 3.2Å; Y55-F179 AromaticContact CD1-CD2 3.66Å; Y55-F179 HydrophobicContact CD1-CD2 3.66Å; Y55-F179 AromaticContact CD1-CE2 3.65Å; Y55-F179 HydrophobicContact CD1-CE2 3.65Å; Y55-F179 HydrophobicContact CD1-CG 4.35Å; Y55-F179 HydrophobicContact CD1-CZ 4.33Å; Y55-F179 HydrophobicContact CE1-CB 4.33Å; Y55-F179 AromaticContact CE1-CD2 3.58Å; Y55-F179 HydrophobicContact CE1-CD2 3.58Å; Y55-F179 HydrophobicContact CE1-CE2 4.09Å; Y55-F179 HydrophobicContact CE1-CG 4.02Å
56S98.3Very high98.3Very high47 Ų4748 Ų4833%0.32928%0.275SS..  trans-120.6113.4177.3-172.30000110.5D58 T61 A62 S65S56-D58 PolarHBondContact O-N 3.06Å; S56-T61 WeakPolarHBondContact CB-OG1 3.13Å; S56-T61 PolarHBondContact OG-OG1 3.5Å; S56-A62 VanDerWaalsContact O-CA 3.26Å; S56-A62 WeakPolarHBondContact O-CA 3.34Å; S56-S65 PolarHBondContact N-OG 3.43Å
57P96.9Very high98.3Very high34 Ų3446.5 Ų46.522%0.22127%0.269CS..  trans-84.952.3-173.536-38.2000113.3Y55 T176 F179Y55-P57 HydrophobicContact CD1-CB 4.43Å; Y55-P57 HydrophobicContact CE1-CB 3.7Å; P57-T176 PolarHBondContact O-OG1 3.1Å; P57-F179 HydrophobicContact CB-CB 3.8Å; P57-F179 HydrophobicContact CB-CD1 3.94Å; P57-F179 HydrophobicContact CB-CG 3.9Å; P57-F179 HydrophobicContact CG-CD1 3.91Å; P57-F179 HydrophobicContact CG-CE1 4.4Å; P57-F179 HydrophobicContact CG-CG 4.37Å
58D97.1Very high98.3Very high56 Ų5649.8 Ų49.830%0.29928%0.284SS..SBendtrans-125.1141.2172.9179-97.4000111S56 S60 T61 A62 S172S56-D58 PolarHBondContact O-N 3.06Å; D58-S60 PolarHBondContact O-N 3.3Å; D58-S60 VanDerWaalsContact O-N 3.11Å; D58-S60 VanDerWaalsContact OD1-CB 3.28Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.04Å; D58-S60 PolarHBondContact OD1-OG 3.3Å; D58-T61 PolarHBondContact O-N 3.5Å; D58-A62 WeakPolarHBondContact O-CB 3.49Å; D58-A62 PolarHBondContact O-N 2.86Å; D58-S172 PolarHBondContact OD2-OG 3.25Å
59A96.1Very high98.3Very high19 Ų1949 Ų4916%0.15728%0.276CS..THydrogen-bonded Turntrans-59.3-26.8-174.800000113.4W135 S172A59-W135 HydrophobicContact CB-CZ2 3.75Å; A59-S172 WeakPolarHBondContact CB-OG 3.29Å; A59-S172 PolarHBondContact N-OG 2.92Å
60S97.5Very high98.3Very high97 Ų9747 Ų4768%0.67827%0.266SS*.THydrogen-bonded Turntrans-79.2-24.217872.80000113.8D58D58-S60 PolarHBondContact O-N 3.3Å; D58-S60 VanDerWaalsContact O-N 3.11Å; D58-S60 VanDerWaalsContact OD1-CB 3.28Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.04Å; D58-S60 PolarHBondContact OD1-OG 3.3Å
61T98.2Very high98.3Very high47 Ų4751.6 Ų51.629%0.28828%0.28SS..THydrogen-bonded Turntrans-120.9-13.4-172.956.60000114.7S56 D58 F63 S64 S65S56-T61 WeakPolarHBondContact CB-OG1 3.13Å; S56-T61 PolarHBondContact OG-OG1 3.5Å; D58-T61 PolarHBondContact O-N 3.5Å; T61-F63 PolarHBondContact O-N 3.46Å; T61-S64 WeakPolarHBondContact CA-OG 3.28Å; T61-S64 PolarHBondContact O-N 3.42Å; T61-S64 PolarHBondContact O-OG 3.48Å; T61-S65 VanDerWaalsContact O-CB 3.27Å; T61-S65 WeakPolarHBondContact O-CB 3.41Å; T61-S65 PolarHBondContact O-N 3.08Å; T61-S65 PolarHBondContact O-OG 2.89Å
62A98.6Very high98.3Very high0 Ų055.8 Ų55.80%030%0.303CS..Hα-helixtrans-59.9-53.4-17400000112.4Y55 S56 D58 S64 S65 I66 W135 L175Y55-A62 HydrophobicContact CE2-CB 3.98Å; S56-A62 VanDerWaalsContact O-CA 3.26Å; S56-A62 WeakPolarHBondContact O-CA 3.34Å; D58-A62 WeakPolarHBondContact O-CB 3.49Å; D58-A62 PolarHBondContact O-N 2.86Å; A62-S64 PolarHBondContact O-N 3.15Å; A62-S65 PolarHBondContact O-N 3.28Å; A62-S65 PolarHBondContact O-OG 3.3Å; A62-I66 PolarHBondContact O-N 3.35Å; A62-I66 VanDerWaalsContact O-N 3.12Å; A62-W135 HydrophobicContact CB-CB 3.85Å; A62-W135 HydrophobicContact CB-CG 4.39Å; A62-L175 HydrophobicContact CB-CD2 3.54Å
63F98.6Very high98.3Very high55 Ų5556 Ų5624%0.24130%0.302CS..Hα-helixtrans-60.2-44.5178.9-173.7-90.6000112.2T61 I66 A67 P134 W135 Y256 L258T61-F63 PolarHBondContact O-N 3.46Å; F63-I66 PolarHBondContact O-N 3.04Å; F63-A67 PolarHBondContact O-N 2.89Å; F63-A67 VanDerWaalsContact O-N 3.11Å; F63-P134 WeakPolarHBondContact CA-O 3.33Å; F63-P134 WeakPolarHBondContact CD2-O 3.47Å; F63-W135 HydrophobicContact CB-CB 4.46Å; F63-Y256 WeakPolarHBondContact CZ-O 3.46Å; F63-L258 HydrophobicContact CB-CD1 3.45Å; F63-L258 VanDerWaalsContact CB-CD1 3.45Å; F63-L258 HydrophobicContact CD1-CB 4.22Å; F63-L258 HydrophobicContact CD1-CD1 4.15Å; F63-L258 HydrophobicContact CD2-CB 4.47Å; F63-L258 HydrophobicContact CD2-CD1 4.24Å; F63-L258 HydrophobicContact CE1-CB 4.37Å; F63-L258 HydrophobicContact CG-CB 4.29Å; F63-L258 HydrophobicContact CG-CD1 3.69Å
64S98.5Very high98.3Very high66 Ų6657.2 Ų57.246%0.46231%0.311SS..Hα-helixtrans-69.8-31.617958.40000112.5T61 A62 A67 H68T61-S64 WeakPolarHBondContact CA-OG 3.28Å; T61-S64 PolarHBondContact O-N 3.42Å; T61-S64 PolarHBondContact O-OG 3.48Å; A62-S64 PolarHBondContact O-N 3.15Å; S64-A67 WeakPolarHBondContact O-CB 3.44Å; S64-A67 PolarHBondContact O-N 3.35Å; S64-H68 WeakPolarHBondContact O-CB 3.36Å; S64-H68 PolarHBondContact O-N 3.39Å
65S98.7Very high98.3Very high11 Ų1161.6 Ų61.68%0.07733%0.325CS..Hα-helixtrans-67.1-36.4174.475.80000112.3Y55 S56 T61 A62 H68 I69Y55-S65 VanDerWaalsContact CD2-OG 3.23Å; Y55-S65 WeakPolarHBondContact CD2-OG 3.47Å; S56-S65 PolarHBondContact N-OG 3.43Å; T61-S65 VanDerWaalsContact O-CB 3.27Å; T61-S65 WeakPolarHBondContact O-CB 3.41Å; T61-S65 PolarHBondContact O-N 3.08Å; T61-S65 PolarHBondContact O-OG 2.89Å; A62-S65 PolarHBondContact O-N 3.28Å; A62-S65 PolarHBondContact O-OG 3.3Å; S65-H68 PolarHBondContact O-N 2.85Å; S65-I69 VanDerWaalsContact O-CG1 3.32Å; S65-I69 WeakPolarHBondContact O-CG1 3.38Å; S65-I69 PolarHBondContact O-N 2.94Å
66I98.6Very high98.3Very high25 Ų2560.5 Ų60.513%0.12832%0.321CS..Hα-helixtrans-66.2-40.1171-65.1-56.1000111.4Y55 A62 F63 I69 T70 R80 P134Y55-I66 HydrophobicContact CD2-CD1 3.71Å; Y55-I66 HydrophobicContact CD2-CG1 4.21Å; Y55-I66 HydrophobicContact CE2-CD1 4.14Å; Y55-I66 HydrophobicContact CE2-CG1 4.27Å; A62-I66 PolarHBondContact O-N 3.35Å; A62-I66 VanDerWaalsContact O-N 3.12Å; F63-I66 PolarHBondContact O-N 3.04Å; I66-I69 HydrophobicContact CD1-CD1 4.17Å; I66-I69 PolarHBondContact O-N 3.3Å; I66-T70 PolarHBondContact O-N 2.89Å; I66-T70 PolarHBondContact O-OG1 3.46Å; I66-R80 VanDerWaalsContact CG2-NE 3.29Å; I66-P134 HydrophobicContact CG1-CB 4.43Å
67A98.4Very high98.3Very high33 Ų3363.4 Ų63.427%0.27333%0.325SS..Hα-helixtrans-62.5-43.4174.300000111.5F63 S64 T70 R71F63-A67 PolarHBondContact O-N 2.89Å; F63-A67 VanDerWaalsContact O-N 3.11Å; S64-A67 WeakPolarHBondContact O-CB 3.44Å; S64-A67 PolarHBondContact O-N 3.35Å; A67-T70 PolarHBondContact O-N 3.42Å; A67-T70 VanDerWaalsContact O-N 3.16Å; A67-R71 WeakPolarHBondContact O-CB 3.34Å; A67-R71 WeakPolarHBondContact O-CG 3.32Å; A67-R71 PolarHBondContact O-N 3.43Å
68H98.8Very high98.4Very high80 Ų8063.3 Ų63.337%0.3732%0.322SS..Hα-helixtrans-60.1-46.6174.4165.5-92000112S64 S65 T70 R71 D72 V73S64-H68 WeakPolarHBondContact O-CB 3.36Å; S64-H68 PolarHBondContact O-N 3.39Å; S65-H68 PolarHBondContact O-N 2.85Å; H68-T70 PolarHBondContact O-N 3.38Å; H68-R71 PolarHBondContact O-N 2.97Å; H68-D72 IonicContact CD2-OD2 3.31Å; H68-D72 PolarHBondContact CD2-OD2 3.05Å; H68-D72 VanDerWaalsContact CD2-OD2 3.31Å; H68-D72 IonicContact CG-OD2 3.88Å; H68-D72 WeakPolarHBondContact O-CB 3.38Å; H68-D72 PolarHBondContact O-N 2.8Å; H68-V73 PolarHBondContact O-N 3.18Å
69I98.8Very high98.4Very high2 Ų262.5 Ų62.51%0.0132%0.318CS..Hα-helixtrans-54.4-44.2173.3-74.5165.6000110.8L51 H54 S65 I66 G76 R80L51-I69 HydrophobicContact CD2-CD1 4.3Å; L51-I69 HydrophobicContact CD2-CG2 3.55Å; H54-I69 HydrophobicContact CB-CD1 3.89Å; H54-I69 HydrophobicContact CB-CG1 3.5Å; S65-I69 VanDerWaalsContact O-CG1 3.32Å; S65-I69 WeakPolarHBondContact O-CG1 3.38Å; S65-I69 PolarHBondContact O-N 2.94Å; I66-I69 HydrophobicContact CD1-CD1 4.17Å; I66-I69 PolarHBondContact O-N 3.3Å; I69-G76 CarbonylContact O-C 3.35Å; I69-G76 WeakPolarHBondContact O-CA 3.32Å; I69-R80 HydrophobicContact CG2-CB 4.42Å
70T98.5Very high98.6Very high32 Ų3263.6 Ų63.620%0.19632%0.318CS..Hα-helixtrans-72.8-33.6-175.1-50.80000112.1I66 A67 H68 W77 R80I66-T70 PolarHBondContact O-N 2.89Å; I66-T70 PolarHBondContact O-OG1 3.46Å; A67-T70 PolarHBondContact O-N 3.42Å; A67-T70 VanDerWaalsContact O-N 3.16Å; H68-T70 PolarHBondContact O-N 3.38Å; T70-W77 HydrophobicContact CG2-CB 3.97Å; T70-W77 WeakPolarHBondContact O-CB 3.37Å; T70-R80 WeakPolarHBondContact OG1-CD 3.35Å
71R98.6Very high98.6Very high208 Ų20860.4 Ų60.479%0.78529%0.291SS*.Hα-helixtrans-103.7-35.6-168.6-66.5178.6176.7-170.3-0.7114.2A67 H68A67-R71 WeakPolarHBondContact O-CB 3.34Å; A67-R71 WeakPolarHBondContact O-CG 3.32Å; A67-R71 PolarHBondContact O-N 3.43Å; H68-R71 PolarHBondContact O-N 2.97Å
72D98.7Very high98.7Very high113 Ų11359.6 Ų59.660%0.60429%0.285SS*.THydrogen-bonded Turntrans-114.5-27-165.2-52.1-43.1000112.7H68H68-D72 IonicContact CD2-OD2 3.31Å; H68-D72 PolarHBondContact CD2-OD2 3.05Å; H68-D72 VanDerWaalsContact CD2-OD2 3.31Å; H68-D72 IonicContact CG-OD2 3.88Å; H68-D72 WeakPolarHBondContact O-CB 3.38Å; H68-D72 PolarHBondContact O-N 2.8Å
73V98.8Very high98.7Very high27 Ų2761.1 Ų61.116%0.16429%0.292CS..SBendtrans-79.1129.3177179.50000110.2H54 H68 Y75 G76H54-V73 HydrophobicContact CB-CG2 4.35Å; H68-V73 PolarHBondContact O-N 3.18Å; V73-Y75 PolarHBondContact O-N 2.68Å; V73-Y75 VanDerWaalsContact O-N 3.15Å; V73-G76 PolarHBondContact O-N 2.87Å
74N98.6Very high98.7Very high145 Ų14561 Ų6178%0.77530%0.3SS*.THydrogen-bonded Turntrans-54.6120.4176-69.5-40.7000110.9G76N74-G76 PolarHBondContact O-N 2.8Å; N74-G76 VanDerWaalsContact O-N 3.1Å
75Y98.6Very high98.7Very high173 Ų17358 Ų5868%0.67828%0.28SS*.THydrogen-bonded Turntrans57.514.9-174.4-54.9-78.9000114.7V73 W77 I78 I79V73-Y75 PolarHBondContact O-N 2.68Å; V73-Y75 VanDerWaalsContact O-N 3.15Å; Y75-W77 VanDerWaalsContact C-N 3.31Å; Y75-W77 PolarHBondContact O-N 2.96Å; Y75-I78 HydrophobicContact CD1-CG2 4.33Å; Y75-I78 WeakPolarHBondContact O-CG2 3.33Å; Y75-I78 PolarHBondContact O-N 2.96Å; Y75-I79 WeakPolarHBondContact O-CG1 3.33Å; Y75-I79 PolarHBondContact O-N 2.82Å; Y75-I79 VanDerWaalsContact O-N 3.16Å
76G98.8Very high98.7Very high1 Ų157.5 Ų57.51%0.0128%0.276CS..Hα-helixtrans-65.4-33.3-179.100000112.9I69 V73 N74 I78 I79 R80I69-G76 CarbonylContact O-C 3.35Å; I69-G76 WeakPolarHBondContact O-CA 3.32Å; V73-G76 PolarHBondContact O-N 2.87Å; N74-G76 PolarHBondContact O-N 2.8Å; N74-G76 VanDerWaalsContact O-N 3.1Å; G76-I78 PolarHBondContact O-N 3.29Å; G76-I79 PolarHBondContact O-N 3.39Å; G76-R80 WeakPolarHBondContact O-CB 3.46Å; G76-R80 PolarHBondContact O-N 3.4Å
77W98.6Very high98.7Very high107 Ų10757.3 Ų57.341%0.40528%0.278SS..Hα-helixtrans-57.9-47.6173.169.8-90.1000112.5T70 Y75 R80 Y81 L244T70-W77 HydrophobicContact CG2-CB 3.97Å; T70-W77 WeakPolarHBondContact O-CB 3.37Å; Y75-W77 VanDerWaalsContact C-N 3.31Å; Y75-W77 PolarHBondContact O-N 2.96Å; W77-R80 PolarHBondContact O-N 3.43Å; W77-Y81 HydrophobicContact CE3-CD2 4.04Å; W77-Y81 HydrophobicContact CE3-CE2 4.47Å; W77-Y81 WeakPolarHBondContact O-CD2 3.5Å; W77-Y81 PolarHBondContact O-N 3.48Å; W77-L244 HydrophobicContact CH2-CD2 3.86Å; W77-L244 HydrophobicContact CZ3-CD2 4.22Å
78I98.8Very high98.7Very high32 Ų3255.9 Ų55.916%0.16427%0.266CS..Hα-helixtrans-71.4-37.2-177.5-172.9168.6000110.7Y75 G76 Y81 L82 M240 T243 L244Y75-I78 HydrophobicContact CD1-CG2 4.33Å; Y75-I78 WeakPolarHBondContact O-CG2 3.33Å; Y75-I78 PolarHBondContact O-N 2.96Å; G76-I78 PolarHBondContact O-N 3.29Å; I78-Y81 PolarHBondContact O-N 3.39Å; I78-L82 HydrophobicContact CG1-CD1 4.09Å; I78-L82 HydrophobicContact CG1-CG 4.21Å; I78-L82 VanDerWaalsContact O-CB 3.27Å; I78-L82 WeakPolarHBondContact O-CB 3.42Å; I78-L82 VanDerWaalsContact O-CG 3.22Å; I78-L82 WeakPolarHBondContact O-CG 3.46Å; I78-L82 PolarHBondContact O-N 2.95Å; I78-M240 HydrophobicContact CD1-CE 4.26Å; I78-T243 HydrophobicContact CG1-CG2 4.26Å; I78-L244 HydrophobicContact CD1-CD2 4.01Å
79I98.8Very high98.7Very high39 Ų3953 Ų5320%0.225%0.253CS..Hα-helixtrans-62.3-44.5174-62.2169.7000110.2T47 F50 L51 Y75 G76 L82 H83T47-I79 HydrophobicContact CG2-CG2 4.31Å; F50-I79 HydrophobicContact CB-CD1 4.35Å; F50-I79 HydrophobicContact CB-CG2 4.2Å; L51-I79 HydrophobicContact CD2-CG2 3.96Å; L51-I79 HydrophobicContact CG-CG2 3.87Å; Y75-I79 WeakPolarHBondContact O-CG1 3.33Å; Y75-I79 PolarHBondContact O-N 2.82Å; Y75-I79 VanDerWaalsContact O-N 3.16Å; G76-I79 PolarHBondContact O-N 3.39Å; I79-L82 PolarHBondContact O-N 3.48Å; I79-H83 WeakPolarHBondContact O-CB 3.28Å; I79-H83 PolarHBondContact O-N 3.08Å
80R98.8Very high98.7Very high42 Ų4253.8 Ų53.816%0.15826%0.256CS..Hα-helixtrans-59.4-49.8176.5178.9-176.2174.8-101.71.8111.4L51 I66 I69 T70 G76 W77 H83 A84 Y256L51-R80 HydrophobicContact CD2-CB 4.1Å; I66-R80 VanDerWaalsContact CG2-NE 3.29Å; I69-R80 HydrophobicContact CG2-CB 4.42Å; T70-R80 WeakPolarHBondContact OG1-CD 3.35Å; G76-R80 WeakPolarHBondContact O-CB 3.46Å; G76-R80 PolarHBondContact O-N 3.4Å; W77-R80 PolarHBondContact O-N 3.43Å; R80-H83 WeakPolarHBondContact O-CB 3.49Å; R80-H83 PolarHBondContact O-N 3.48Å; R80-A84 WeakPolarHBondContact O-CB 3.41Å; R80-A84 PolarHBondContact O-N 3.38Å; R80-Y256 PolarHBondContact NH1-OH 3.41Å
81Y98.8Very high98.8Very high30 Ų3052.3 Ų52.312%0.11825%0.247CC..Hα-helixtrans-72.7-31.4-178-69.9-60000113.1W77 I78 H83 A84 N85 P247 Y256W77-Y81 HydrophobicContact CE3-CD2 4.04Å; W77-Y81 HydrophobicContact CE3-CE2 4.47Å; W77-Y81 WeakPolarHBondContact O-CD2 3.5Å; W77-Y81 PolarHBondContact O-N 3.48Å; I78-Y81 PolarHBondContact O-N 3.39Å; Y81-H83 VanDerWaalsContact C-N 3.31Å; Y81-A84 PolarHBondContact O-N 3.11Å; Y81-N85 VanDerWaalsContact O-CB 3.23Å; Y81-N85 WeakPolarHBondContact O-CB 3.44Å; Y81-N85 PolarHBondContact O-N 3.12Å; Y81-N85 PolarHBondContact O-ND2 3.48Å; Y81-P247 HydrophobicContact CD1-CB 3.55Å; Y81-P247 HydrophobicContact CD2-CB 4.04Å; Y81-P247 HydrophobicContact CE1-CB 3.77Å; Y81-P247 HydrophobicContact CE2-CB 4.23Å; Y81-P247 HydrophobicContact CG-CB 3.71Å; Y81-Y256 PolarHBondContact OH-OH 3.45Å
82L98.9Very high98.8Very high30 Ų3045.3 Ų45.316%0.15723%0.225CC..Hα-helixtrans-61.5-41.1168.7-78172.6000111.1T47 I78 I79 G86 L239 M240 T243T47-L82 HydrophobicContact CG2-CB 4.08Å; I78-L82 HydrophobicContact CG1-CD1 4.09Å; I78-L82 HydrophobicContact CG1-CG 4.21Å; I78-L82 VanDerWaalsContact O-CB 3.27Å; I78-L82 WeakPolarHBondContact O-CB 3.42Å; I78-L82 VanDerWaalsContact O-CG 3.22Å; I78-L82 WeakPolarHBondContact O-CG 3.46Å; I78-L82 PolarHBondContact O-N 2.95Å; I79-L82 PolarHBondContact O-N 3.48Å; L82-G86 WeakPolarHBondContact O-CA 3.29Å; L82-G86 PolarHBondContact O-N 3.09Å; L82-L239 HydrophobicContact CD2-CD2 3.93Å; L82-L239 HydrophobicContact CD2-CG 4.06Å; L82-M240 HydrophobicContact CD2-SD 3.85Å; L82-T243 HydrophobicContact CD2-CG2 4.18Å; L82-T243 HydrophobicContact CG-CG2 4.16Å
83H98.9Very high98.8Very high33 Ų3340.1 Ų40.115%0.15320%0.197CC..Hα-helixtrans-68-44.2177.8-16581.6000112.2Q44 T47 G48 L51 I79 R80 Y81 A87 H182Q44-H83 PolarHBondContact NE2-O 3.33Å; Q44-H83 PolarHBondContact O-CE1 2.99Å; Q44-H83 VanDerWaalsContact O-CE1 3.27Å; Q44-H83 PolarHBondContact O-ND1 3.35Å; Q44-H83 PolarHBondContact OE1-O 3.42Å; T47-H83 PolarHBondContact OG1-ND1 2.89Å; G48-H83 VanDerWaalsContact CA-CE1 3.45Å; G48-H83 WeakPolarHBondContact CA-CE1 3.4Å; G48-H83 PolarHBondContact N-ND1 2.75Å; L51-H83 HydrophobicContact CD1-CB 3.5Å; I79-H83 WeakPolarHBondContact O-CB 3.28Å; I79-H83 PolarHBondContact O-N 3.08Å; R80-H83 WeakPolarHBondContact O-CB 3.49Å; R80-H83 PolarHBondContact O-N 3.48Å; Y81-H83 VanDerWaalsContact C-N 3.31Å; H83-A87 PolarHBondContact O-N 3.47Å; H83-A87 VanDerWaalsContact O-N 3.14Å; H83-H182 AromaticContact NE2-NE2 3.96Å
84A98.8Very high98.8Very high51 Ų5139.3 Ų39.342%0.42119%0.192SC..Hα-helixtrans-69.1-51.7-179.700000112.3R80 Y81 G86 A87 S88R80-A84 WeakPolarHBondContact O-CB 3.41Å; R80-A84 PolarHBondContact O-N 3.38Å; Y81-A84 PolarHBondContact O-N 3.11Å; A84-G86 VanDerWaalsContact C-N 3.34Å; A84-A87 WeakPolarHBondContact O-CB 3.47Å; A84-A87 PolarHBondContact O-N 3.38Å; A84-S88 PolarHBondContact O-N 2.83Å
85N98.9Very high98.8Very high5 Ų535.5 Ų35.53%0.02717%0.168CC..Hα-helixtrans-71.9-30.9178.1-70.8-53.1000112Y81 A87 S88 M89 L239 L242 P247Y81-N85 VanDerWaalsContact O-CB 3.23Å; Y81-N85 WeakPolarHBondContact O-CB 3.44Å; Y81-N85 PolarHBondContact O-N 3.12Å; Y81-N85 PolarHBondContact O-ND2 3.48Å; N85-A87 VanDerWaalsContact C-N 3.3Å; N85-A87 PolarHBondContact O-N 3.48Å; N85-S88 WeakPolarHBondContact O-CB 3.46Å; N85-S88 PolarHBondContact O-N 3.2Å; N85-S88 VanDerWaalsContact O-N 3.16Å; N85-M89 WeakPolarHBondContact O-CG 3.43Å; N85-M89 PolarHBondContact O-N 2.89Å; N85-L239 HydrophobicContact CB-CD1 3.92Å; N85-L242 HydrophobicContact CB-CD2 3.78Å; N85-L242 HydrophobicContact CB-CG 4.19Å; N85-L242 WeakPolarHBondContact OD1-CD2 3.37Å; N85-P247 PolarHBondContact ND2-O 3.01Å; N85-P247 PolarHBondContact OD1-O 3.37Å
86G98.9Very high98.8Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-61.1-36172.100000112.7Q44 L82 A84 M89 F90Q44-G86 VanDerWaalsContact OE1-CA 3.31Å; L82-G86 WeakPolarHBondContact O-CA 3.29Å; L82-G86 PolarHBondContact O-N 3.09Å; A84-G86 VanDerWaalsContact C-N 3.34Å; G86-M89 PolarHBondContact O-N 3.28Å; G86-F90 WeakPolarHBondContact O-CB 3.38Å; G86-F90 PolarHBondContact O-N 3.41Å
87A98.8Very high98.8Very high20 Ų2032 Ų3217%0.16516%0.16CC..Hα-helixtrans-62.6-43.5172.100000111.9H83 A84 N85 F90 F91H83-A87 PolarHBondContact O-N 3.47Å; H83-A87 VanDerWaalsContact O-N 3.14Å; A84-A87 WeakPolarHBondContact O-CB 3.47Å; A84-A87 PolarHBondContact O-N 3.38Å; N85-A87 VanDerWaalsContact C-N 3.3Å; N85-A87 PolarHBondContact O-N 3.48Å; A87-F90 VanDerWaalsContact O-CB 3.25Å; A87-F90 WeakPolarHBondContact O-CB 3.36Å; A87-F90 PolarHBondContact O-N 3.43Å; A87-F91 WeakPolarHBondContact O-CD2 3.2Å; A87-F91 PolarHBondContact O-N 3.49Å
88S98.8Very high98.8Very high4 Ų428.3 Ų28.33%0.02815%0.148CC..Hα-helixtrans-61.9-45.5173.7-73.20000111.9A84 N85 F90 F91 I92 W272A84-S88 PolarHBondContact O-N 2.83Å; N85-S88 WeakPolarHBondContact O-CB 3.46Å; N85-S88 PolarHBondContact O-N 3.2Å; N85-S88 VanDerWaalsContact O-N 3.16Å; S88-F90 VanDerWaalsContact C-N 3.25Å; S88-F90 PolarHBondContact O-N 2.88Å; S88-F91 PolarHBondContact O-N 3.46Å; S88-F91 VanDerWaalsContact O-N 3.14Å; S88-I92 WeakPolarHBondContact O-CG1 3.27Å; S88-I92 PolarHBondContact O-N 2.89Å; S88-W272 WeakPolarHBondContact O-CZ2 3.46Å; S88-W272 PolarHBondContact OG-NE1 3.32Å
89M98.8Very high98.8Very high18 Ų1827.8 Ų27.89%0.08915%0.15CC..Hα-helixtrans-62-34.3176.6-68.1-58.5-65.700112.3N85 G86 I92 C93 F235 S238 L239N85-M89 WeakPolarHBondContact O-CG 3.43Å; N85-M89 PolarHBondContact O-N 2.89Å; G86-M89 PolarHBondContact O-N 3.28Å; M89-I92 PolarHBondContact O-N 2.81Å; M89-I92 HydrophobicContact SD-CD1 3.93Å; M89-C93 WeakPolarHBondContact O-CB 3.44Å; M89-C93 PolarHBondContact O-N 3.18Å; M89-C93 PolarHBondContact O-SG 2.87Å; M89-C93 VanDerWaalsContact O-SG 3.39Å; M89-F235 HydrophobicContact CB-CE2 3.7Å; M89-F235 HydrophobicContact CB-CZ 4.1Å; M89-F235 HydrophobicContact CE-CD2 3.85Å; M89-F235 HydrophobicContact CE-CE2 3.95Å; M89-F235 HydrophobicContact CG-CE2 4.41Å; M89-S238 WeakPolarHBondContact CE-OG 3.44Å; M89-L239 HydrophobicContact CG-CB 4.36Å; M89-L239 HydrophobicContact CG-CD1 3.9Å
90F98.8Very high98.8Very high19 Ų1927 Ų278%0.08314%0.144CC..Hα-helixtrans-57.2-52172-154.4-46.1000110.3L37 C40 L41 Q44 G86 A87 S88 I92 C93 L94 T123L37-F90 HydrophobicContact CD2-CD1 3.53Å; L37-F90 HydrophobicContact CD2-CE1 3.5Å; L37-F90 VanDerWaalsContact CD2-CE1 3.5Å; C40-F90 HydrophobicContact CB-CB 4.06Å; C40-F90 HydrophobicContact CB-CD1 4.39Å; C40-F90 HydrophobicContact CB-CD2 3.52Å; C40-F90 HydrophobicContact CB-CE2 4.01Å; C40-F90 HydrophobicContact CB-CG 3.72Å; L41-F90 HydrophobicContact CB-CE2 4.06Å; L41-F90 HydrophobicContact CB-CZ 4.3Å; L41-F90 HydrophobicContact CD1-CE2 4.25Å; Q44-F90 HydrophobicContact CG-CD2 4.01Å; G86-F90 WeakPolarHBondContact O-CB 3.38Å; G86-F90 PolarHBondContact O-N 3.41Å; A87-F90 VanDerWaalsContact O-CB 3.25Å; A87-F90 WeakPolarHBondContact O-CB 3.36Å; A87-F90 PolarHBondContact O-N 3.43Å; S88-F90 VanDerWaalsContact C-N 3.25Å; S88-F90 PolarHBondContact O-N 2.88Å; F90-I92 PolarHBondContact O-N 3.4Å; F90-C93 PolarHBondContact O-N 3.14Å; F90-L94 HydrophobicContact CD1-CD1 4.29Å; F90-L94 HydrophobicContact CE1-CD1 4.21Å; F90-L94 VanDerWaalsContact O-CB 3.26Å; F90-L94 WeakPolarHBondContact O-CB 3.44Å; F90-L94 PolarHBondContact O-N 3.42Å; F90-T123 HydrophobicContact CD1-CG2 4Å; F90-T123 HydrophobicContact CE1-CG2 3.9Å; F90-T123 HydrophobicContact CG-CG2 4.46Å; F90-T123 HydrophobicContact CZ-CG2 4.26Å
91F98.9Very high98.8Very high2 Ų225 Ų251%0.00914%0.138CC..Hα-helixtrans-66.2-36.4179.7-81.9-81.2000113.5A87 S88 L94 F95 T123 M124 A127 W272 Y273A87-F91 WeakPolarHBondContact O-CD2 3.2Å; A87-F91 PolarHBondContact O-N 3.49Å; S88-F91 PolarHBondContact O-N 3.46Å; S88-F91 VanDerWaalsContact O-N 3.14Å; F91-L94 PolarHBondContact O-N 3.45Å; F91-F95 HydrophobicContact CB-CD2 4.45Å; F91-F95 HydrophobicContact CB-CE2 4Å; F91-F95 HydrophobicContact CB-CZ 4.4Å; F91-F95 HydrophobicContact CD1-CE1 4.24Å; F91-F95 HydrophobicContact CD1-CE2 4.23Å; F91-F95 AromaticContact CD1-CZ 3.76Å; F91-F95 HydrophobicContact CD1-CZ 3.76Å; F91-F95 WeakPolarHBondContact O-CD2 3.5Å; F91-F95 VanDerWaalsContact O-CG 3.27Å; F91-F95 WeakPolarHBondContact O-CG 3.42Å; F91-F95 PolarHBondContact O-N 3.2Å; F91-T123 HydrophobicContact CE2-CG2 4.26Å; F91-T123 HydrophobicContact CZ-CG2 3.99Å; F91-M124 HydrophobicContact CE1-CG 3.83Å; F91-M124 HydrophobicContact CZ-CG 4.16Å; F91-A127 HydrophobicContact CE2-CB 3.51Å; F91-A127 HydrophobicContact CZ-CB 3.88Å; F91-W272 HydrophobicContact CB-CH2 4.08Å; F91-W272 HydrophobicContact CB-CZ2 4.15Å; F91-Y273 HydrophobicContact CB-CD1 4.27Å; F91-Y273 HydrophobicContact CB-CG 3.99Å; F91-Y273 AromaticContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CG 4.03Å; F91-Y273 AromaticContact CD2-CD1 3.78Å; F91-Y273 HydrophobicContact CD2-CD1 3.78Å; F91-Y273 AromaticContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CE1 4.1Å; F91-Y273 AromaticContact CD2-CE2 3.8Å; F91-Y273 HydrophobicContact CD2-CE2 3.8Å; F91-Y273 AromaticContact CD2-CG 3.51Å; F91-Y273 HydrophobicContact CD2-CG 3.51Å; F91-Y273 AromaticContact CE1-CD2 3.92Å; F91-Y273 HydrophobicContact CE1-CD2 3.92Å; F91-Y273 HydrophobicContact CE1-CG 4.42Å; F91-Y273 HydrophobicContact CE2-CD1 4.41Å; F91-Y273 AromaticContact CE2-CD2 3.46Å; F91-Y273 HydrophobicContact CE2-CD2 3.46Å; F91-Y273 VanDerWaalsContact CE2-CD2 3.46Å; F91-Y273 HydrophobicContact CE2-CE1 4.45Å; F91-Y273 AromaticContact CE2-CE2 3.43Å; F91-Y273 HydrophobicContact CE2-CE2 3.43Å; F91-Y273 VanDerWaalsContact CE2-CE2 3.43Å; F91-Y273 AromaticContact CE2-CG 3.97Å; F91-Y273 HydrophobicContact CE2-CG 3.97Å; F91-Y273 AromaticContact CE2-CZ 4Å; F91-Y273 HydrophobicContact CG-CD1 4.1Å; F91-Y273 AromaticContact CG-CD2 3.81Å; F91-Y273 HydrophobicContact CG-CD2 3.81Å; F91-Y273 AromaticContact CG-CG 3.55Å; F91-Y273 HydrophobicContact CG-CG 3.55Å; F91-Y273 AromaticContact CZ-CD2 3.66Å; F91-Y273 HydrophobicContact CZ-CD2 3.66Å; F91-Y273 AromaticContact CZ-CE2 3.87Å; F91-Y273 HydrophobicContact CZ-CE2 3.87Å; F91-Y273 HydrophobicContact CZ-CG 4.4Å
92I98.9Very high98.8Very high61 Ų6124.8 Ų24.831%0.31314%0.138SC..Hα-helixtrans-58.2-52.6172-66.7169.4000109.7S88 M89 F90 L94 F95 L96 W272S88-I92 WeakPolarHBondContact O-CG1 3.27Å; S88-I92 PolarHBondContact O-N 2.89Å; M89-I92 PolarHBondContact O-N 2.81Å; M89-I92 HydrophobicContact SD-CD1 3.93Å; F90-I92 PolarHBondContact O-N 3.4Å; I92-L94 PolarHBondContact O-N 2.89Å; I92-F95 PolarHBondContact O-N 2.84Å; I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.36Å; I92-L96 PolarHBondContact O-N 3.37Å; I92-L96 VanDerWaalsContact O-N 3.08Å; I92-W272 HydrophobicContact CD1-CH2 4.47Å; I92-W272 HydrophobicContact CD1-CZ2 4.28Å; I92-W272 HydrophobicContact CG1-CH2 3.53Å; I92-W272 HydrophobicContact CG1-CZ2 3.71Å
93C98.9Very high98.8Very high3 Ų325 Ų252%0.0214%0.137CC..Hα-helixtrans-59.8-37.4177.3-70.60000112.1F33 L37 M89 F90 H97F33-C93 HydrophobicContact CD1-CB 4.03Å; L37-C93 HydrophobicContact CD2-CB 3.78Å; L37-C93 HydrophobicContact CG-CB 4.06Å; M89-C93 WeakPolarHBondContact O-CB 3.44Å; M89-C93 PolarHBondContact O-N 3.18Å; M89-C93 PolarHBondContact O-SG 2.87Å; M89-C93 VanDerWaalsContact O-SG 3.39Å; F90-C93 PolarHBondContact O-N 3.14Å; C93-H97 WeakPolarHBondContact O-CB 3.44Å; C93-H97 PolarHBondContact O-N 2.99Å
94L98.8Very high98.8Very high11 Ų1124.6 Ų24.66%0.05813%0.134CC..Hα-helixtrans-68.5-48.4-177.5-161.3158.4000110.8L37 F90 F91 I92 L96 H97 I98 L120 T123L37-L94 HydrophobicContact CD2-CB 3.91Å; L37-L94 HydrophobicContact CD2-CG 4.42Å; F90-L94 HydrophobicContact CD1-CD1 4.29Å; F90-L94 HydrophobicContact CE1-CD1 4.21Å; F90-L94 VanDerWaalsContact O-CB 3.26Å; F90-L94 WeakPolarHBondContact O-CB 3.44Å; F90-L94 PolarHBondContact O-N 3.42Å; F91-L94 PolarHBondContact O-N 3.45Å; I92-L94 PolarHBondContact O-N 2.89Å; L94-L96 VanDerWaalsContact C-N 3.35Å; L94-L96 PolarHBondContact O-N 3.43Å; L94-H97 WeakPolarHBondContact O-CB 3.47Å; L94-H97 PolarHBondContact O-N 3.39Å; L94-I98 HydrophobicContact CD2-CD1 3.4Å; L94-I98 HydrophobicContact CD2-CG1 4.1Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 3.04Å; L94-L120 HydrophobicContact CD1-CD1 4.24Å; L94-L120 HydrophobicContact CD2-CB 4.32Å; L94-L120 HydrophobicContact CD2-CD1 3.36Å; L94-L120 HydrophobicContact CD2-CG 4.33Å; L94-L120 HydrophobicContact CG-CD1 4.47Å; L94-T123 HydrophobicContact CD1-CG2 4.04Å
95F98.9Very high98.8Very high64 Ų6422.1 Ų22.128%0.28111%0.114SC..Hα-helixtrans-63.7-39.5177.5-62.6-37.4000112.2F91 I92 I98 G99 W272 Y273 F276F91-F95 HydrophobicContact CB-CD2 4.45Å; F91-F95 HydrophobicContact CB-CE2 4Å; F91-F95 HydrophobicContact CB-CZ 4.4Å; F91-F95 HydrophobicContact CD1-CE1 4.24Å; F91-F95 HydrophobicContact CD1-CE2 4.23Å; F91-F95 AromaticContact CD1-CZ 3.76Å; F91-F95 HydrophobicContact CD1-CZ 3.76Å; F91-F95 WeakPolarHBondContact O-CD2 3.5Å; F91-F95 VanDerWaalsContact O-CG 3.27Å; F91-F95 WeakPolarHBondContact O-CG 3.42Å; F91-F95 PolarHBondContact O-N 3.2Å; I92-F95 PolarHBondContact O-N 2.84Å; F95-I98 PolarHBondContact O-N 3.3Å; F95-G99 PolarHBondContact O-N 2.92Å; F95-W272 HydrophobicContact CD2-CH2 4.23Å; F95-W272 HydrophobicContact CD2-CZ3 4.16Å; F95-W272 HydrophobicContact CE2-CH2 4.06Å; F95-W272 AromaticContact CE2-CZ3 3.84Å; F95-W272 HydrophobicContact CE2-CZ3 3.84Å; F95-Y273 WeakPolarHBondContact CZ-O 3.3Å; F95-F276 HydrophobicContact CE1-CE1 4.45Å; F95-F276 HydrophobicContact CZ-CE1 4.32Å
96L98.9Very high98.8Very high63 Ų6322.8 Ų22.833%0.3312%0.119SC..Hα-helixtrans-67.9-36.1174.9-62.8174.9000111.9W30 F33 I92 L94 G99 R100W30-L96 HydrophobicContact CZ3-CB 4.45Å; W30-L96 HydrophobicContact CZ3-CD2 4.1Å; F33-L96 HydrophobicContact CD1-CB 4.1Å; F33-L96 HydrophobicContact CD1-CD1 4.41Å; F33-L96 HydrophobicContact CD2-CB 3.95Å; F33-L96 HydrophobicContact CE1-CB 3.95Å; F33-L96 HydrophobicContact CE1-CD1 3.5Å; F33-L96 VanDerWaalsContact CE1-CD1 3.5Å; F33-L96 HydrophobicContact CE1-CG 4.36Å; F33-L96 HydrophobicContact CE2-CB 3.8Å; F33-L96 HydrophobicContact CE2-CD1 4.09Å; F33-L96 HydrophobicContact CG-CB 4.12Å; F33-L96 HydrophobicContact CZ-CB 3.81Å; F33-L96 HydrophobicContact CZ-CD1 3.32Å; F33-L96 HydrophobicContact CZ-CG 4.18Å; I92-L96 HydrophobicContact CG2-CD1 3.92Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.36Å; I92-L96 PolarHBondContact O-N 3.37Å; I92-L96 VanDerWaalsContact O-N 3.08Å; L94-L96 VanDerWaalsContact C-N 3.35Å; L94-L96 PolarHBondContact O-N 3.43Å; L96-G99 PolarHBondContact O-N 3.04Å; L96-R100 WeakPolarHBondContact O-CB 3.45Å; L96-R100 PolarHBondContact O-N 3.21Å
97H98.9Very high98.8Very high37 Ų3723.3 Ų23.317%0.17112%0.121CC..Hα-helixtrans-64.3-43.3174.5-168.2102.9000112.2F33 G34 L37 C93 L94 R100 G101F33-H97 HydrophobicContact CB-CB 3.94Å; G34-H97 PolarHBondContact N-ND1 3.38Å; L37-H97 HydrophobicContact CD1-CB 3.79Å; C93-H97 WeakPolarHBondContact O-CB 3.44Å; C93-H97 PolarHBondContact O-N 2.99Å; L94-H97 WeakPolarHBondContact O-CB 3.47Å; L94-H97 PolarHBondContact O-N 3.39Å; H97-R100 PolarHBondContact CE1-NH2 3.22Å; H97-R100 PolarHBondContact ND1-NH2 3.39Å; H97-R100 PolarHBondContact NE2-NH2 2.95Å; H97-G101 PolarHBondContact O-N 3.12Å; H97-G101 VanDerWaalsContact O-N 3.08Å
98I98.9Very high98.8Very high31 Ų3125.6 Ų25.616%0.15913%0.13CC..Hα-helixtrans-65.2-47.6174.3-67.9175.3000110.2L94 F95 R100 G101 L102 W113 L120 L301L94-I98 HydrophobicContact CD2-CD1 3.4Å; L94-I98 HydrophobicContact CD2-CG1 4.1Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 3.04Å; F95-I98 PolarHBondContact O-N 3.3Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 3.03Å; I98-G101 CarbonylContact O-C 3.56Å; I98-G101 WeakPolarHBondContact O-CA 3.2Å; I98-G101 PolarHBondContact O-N 3.4Å; I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 HydrophobicContact CG2-CG 4.31Å; I98-L102 WeakPolarHBondContact O-CG 3.46Å; I98-L102 PolarHBondContact O-N 2.77Å; I98-W113 HydrophobicContact CG2-CH2 4.18Å; I98-L120 HydrophobicContact CD1-CD1 4.35Å; I98-L120 HydrophobicContact CD1-CD2 3.88Å; I98-L301 HydrophobicContact CD1-CD1 4.28Å; I98-L301 HydrophobicContact CG2-CD1 4.46Å; I98-L301 HydrophobicContact CG2-CD2 4.17Å
99G98.8Very high98.7Very high20 Ų2027.9 Ų27.921%0.20614%0.139CC..Hα-helixtrans-56.2-44.5178.300000112.2F95 L96 G101 L102 Y103 H325F95-G99 PolarHBondContact O-N 2.92Å; L96-G99 PolarHBondContact O-N 3.04Å; G99-G101 VanDerWaalsContact C-N 3.33Å; G99-G101 PolarHBondContact O-N 2.84Å; G99-L102 PolarHBondContact O-N 3.33Å; G99-Y103 WeakPolarHBondContact O-CB 3.42Å; G99-Y103 PolarHBondContact O-N 3.18Å; G99-H325 PolarHBondContact O-CE1 3.28Å
100R98.9Very high98.7Very high22 Ų2229.4 Ų29.48%0.08315%0.151CC..Hα-helixtrans-55.3-48169.7178.5-76.4-66.3-95.6-6.5111.1W30 W31 L96 H97 I98 L102 Y103 Y104W30-R100 HydrophobicContact CB-CB 4.11Å; W30-R100 HydrophobicContact CB-CG 3.54Å; W31-R100 VanDerWaalsContact CE2-NH1 3.3Å; W31-R100 HydrophobicContact CE3-CG 4.36Å; W31-R100 HydrophobicContact CZ3-CG 4.27Å; L96-R100 WeakPolarHBondContact O-CB 3.45Å; L96-R100 PolarHBondContact O-N 3.21Å; H97-R100 PolarHBondContact CE1-NH2 3.22Å; H97-R100 PolarHBondContact ND1-NH2 3.39Å; H97-R100 PolarHBondContact NE2-NH2 2.95Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 3.03Å; R100-L102 VanDerWaalsContact C-N 3.32Å; R100-L102 PolarHBondContact O-N 2.96Å; R100-Y103 PolarHBondContact O-N 3.32Å; R100-Y104 HydrophobicContact CG-CD2 3.75Å; R100-Y104 HydrophobicContact CG-CE2 4.09Å; R100-Y104 WeakPolarHBondContact O-CD2 3.33Å; R100-Y104 PolarHBondContact O-N 3.15Å
101G98.8Very high98.6Very high2 Ų233.4 Ų33.42%0.02117%0.17CC..Hα-helixtrans-60.4-40.4-179.600000113.1H97 I98 G99 G105 S106 F107H97-G101 PolarHBondContact O-N 3.12Å; H97-G101 VanDerWaalsContact O-N 3.08Å; I98-G101 CarbonylContact O-C 3.56Å; I98-G101 WeakPolarHBondContact O-CA 3.2Å; I98-G101 PolarHBondContact O-N 3.4Å; G99-G101 VanDerWaalsContact C-N 3.33Å; G99-G101 PolarHBondContact O-N 2.84Å; G101-G105 CarbonylContact O-C 3.6Å; G101-G105 PolarHBondContact O-N 3.19Å; G101-S106 PolarHBondContact O-N 2.83Å; G101-F107 WeakPolarHBondContact O-CD1 3.47Å
102L98.8Very high98.6Very high25 Ų2533.9 Ų33.913%0.13117%0.174CC..Hα-helixtrans-67-47.9174.5-65.2174.9000111.8I98 G99 R100 F107 W113 L301 I304I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 HydrophobicContact CG2-CG 4.31Å; I98-L102 WeakPolarHBondContact O-CG 3.46Å; I98-L102 PolarHBondContact O-N 2.77Å; G99-L102 PolarHBondContact O-N 3.33Å; R100-L102 VanDerWaalsContact C-N 3.32Å; R100-L102 PolarHBondContact O-N 2.96Å; L102-F107 HydrophobicContact CD2-CD1 4.27Å; L102-W113 HydrophobicContact CD2-CH2 3.78Å; L102-W113 HydrophobicContact CD2-CZ2 3.98Å; L102-W113 HydrophobicContact CG-CH2 4.12Å; L102-L301 HydrophobicContact CD2-CD2 4.41Å; L102-I304 HydrophobicContact CD2-CD1 4.25Å; L102-I304 HydrophobicContact CD2-CG1 4.04Å; L102-I304 HydrophobicContact CD2-CG2 3.9Å
103Y98.9Very high98.6Very high35 Ų3532.2 Ų32.214%0.13716%0.163CC..Hα-helixtrans-66.5-42.9-175.4-171.2-89.1000112.8G99 R100 M315 Q322 H325G99-Y103 WeakPolarHBondContact O-CB 3.42Å; G99-Y103 PolarHBondContact O-N 3.18Å; R100-Y103 PolarHBondContact O-N 3.32Å; Y103-M315 HydrophobicContact CD2-CB 4.3Å; Y103-M315 HydrophobicContact CD2-SD 4.34Å; Y103-M315 HydrophobicContact CE1-CB 4.44Å; Y103-M315 HydrophobicContact CE2-CB 4.23Å; Y103-M315 HydrophobicContact CG-CB 4.47Å; Y103-M315 VanDerWaalsContact O-CB 3.28Å; Y103-M315 WeakPolarHBondContact O-CB 3.33Å; Y103-M315 VanDerWaalsContact O-CG 3.31Å; Y103-M315 WeakPolarHBondContact O-CG 3.5Å; Y103-M315 PolarHBondContact O-N 2.75Å; Y103-Q322 HydrophobicContact CE2-CB 4.48Å; Y103-Q322 HydrophobicContact CE2-CG 3.92Å; Y103-Q322 WeakPolarHBondContact OH-CG 3.44Å; Y103-Q322 PolarHBondContact OH-OE1 3.24Å; Y103-H325 HydrophobicContact CD2-CB 4.26Å; Y103-H325 AromaticContact CD2-CD2 3.55Å; Y103-H325 AromaticContact CD2-CG 3.72Å; Y103-H325 AromaticContact CD2-NE2 3.84Å
104Y98.8Very high98.6Very high23 Ų2335.4 Ų35.49%0.0918%0.18CC..THydrogen-bonded Turntrans-93.94-176.7-63.8-69.3000113.8W30 W31 R100 S106 N206 P208 S314W30-Y104 HydrophobicContact CB-CE2 4.24Å; W30-Y104 AromaticContact CD1-CE2 3.87Å; W30-Y104 HydrophobicContact CG-CE2 4.2Å; W31-Y104 HydrophobicContact CH2-CD1 4.12Å; W31-Y104 AromaticContact CH2-CD2 3.55Å; W31-Y104 HydrophobicContact CH2-CD2 3.55Å; W31-Y104 AromaticContact CH2-CE2 3.98Å; W31-Y104 HydrophobicContact CH2-CE2 3.98Å; W31-Y104 AromaticContact CH2-CG 3.6Å; W31-Y104 HydrophobicContact CH2-CG 3.6Å; W31-Y104 AromaticContact CZ3-CD2 3.62Å; W31-Y104 HydrophobicContact CZ3-CD2 3.62Å; W31-Y104 AromaticContact CZ3-CE2 3.58Å; W31-Y104 HydrophobicContact CZ3-CE2 3.58Å; W31-Y104 HydrophobicContact CZ3-CG 4.1Å; R100-Y104 HydrophobicContact CG-CD2 3.75Å; R100-Y104 HydrophobicContact CG-CE2 4.09Å; R100-Y104 WeakPolarHBondContact O-CD2 3.33Å; R100-Y104 PolarHBondContact O-N 3.15Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 3.1Å; Y104-N206 PolarHBondContact O-ND2 2.91Å; Y104-P208 VanDerWaalsContact CD1-CA 3.5Å; Y104-P208 HydrophobicContact CD1-CB 4.22Å; Y104-P208 WeakPolarHBondContact CD1-O 3.29Å; Y104-P208 VanDerWaalsContact CE1-CA 3.48Å; Y104-P208 HydrophobicContact CE1-CB 3.66Å; Y104-P208 HydrophobicContact CE1-CG 4.39Å; Y104-S314 WeakPolarHBondContact CD1-OG 3.25Å
105G98.6Very high98.6Very high0 Ų035.9 Ų35.90%018%0.182CC..THydrogen-bonded Turntrans67.129.7179.500000113.6G101 F107 L108 Q313G101-G105 CarbonylContact O-C 3.6Å; G101-G105 PolarHBondContact O-N 3.19Å; G105-F107 PolarHBondContact O-N 2.95Å; G105-L108 WeakPolarHBondContact O-CG 3.48Å; G105-L108 PolarHBondContact O-N 3.44Å; G105-Q313 WeakPolarHBondContact CA-O 3.15Å; G105-Q313 PolarHBondContact O-NE2 3.09Å
106S98.6Very high98.6Very high18 Ų1834 Ų3413%0.12618%0.181CC..G310 helixtrans-73-14.1178.2-54.80000112.7G101 Y104 L108 Y109 N206G101-S106 PolarHBondContact O-N 2.83Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 3.1Å; S106-L108 PolarHBondContact O-N 3.43Å; S106-Y109 PolarHBondContact O-N 2.88Å; S106-Y109 VanDerWaalsContact O-N 3.15Å; S106-N206 PolarHBondContact OG-ND2 3.41Å
107F98.5Very high98.6Very high11 Ų1131.5 Ų31.55%0.04817%0.168CC..G310 helixtrans-63-14.4172.456.9-107000113.5G101 L102 G105 Y109 W113 I304 P305 H308G101-F107 WeakPolarHBondContact O-CD1 3.47Å; L102-F107 HydrophobicContact CD2-CD1 4.27Å; G105-F107 PolarHBondContact O-N 2.95Å; F107-Y109 PolarHBondContact O-N 2.85Å; F107-W113 HydrophobicContact CB-CB 4.44Å; F107-W113 HydrophobicContact CB-CD2 3.33Å; F107-W113 VanDerWaalsContact CB-CE2 3.49Å; F107-W113 HydrophobicContact CB-CE3 3.61Å; F107-W113 HydrophobicContact CB-CG 3.72Å; F107-W113 HydrophobicContact CB-CH2 4.16Å; F107-W113 HydrophobicContact CB-CZ2 3.92Å; F107-W113 HydrophobicContact CB-CZ3 4.02Å; F107-I304 HydrophobicContact CB-CG2 4.29Å; F107-I304 HydrophobicContact CD1-CG2 3.47Å; F107-I304 VanDerWaalsContact CD1-CG2 3.47Å; F107-I304 HydrophobicContact CD2-CG2 3.78Å; F107-I304 HydrophobicContact CE1-CG2 3.58Å; F107-I304 HydrophobicContact CE2-CG2 3.92Å; F107-I304 HydrophobicContact CG-CG2 3.57Å; F107-I304 HydrophobicContact CZ-CG2 3.81Å; F107-P305 HydrophobicContact CB-CG 4.31Å; F107-P305 HydrophobicContact CD2-CB 4.31Å; F107-P305 HydrophobicContact CD2-CG 4.22Å; F107-P305 WeakPolarHBondContact O-CG 3.49Å; F107-H308 HydrophobicContact CE2-CB 3.85Å; F107-H308 AromaticContact CE2-CG 3.94Å; F107-H308 AromaticContact CE2-ND1 3.79Å; F107-H308 HydrophobicContact CZ-CB 4.36Å; F107-H308 AromaticContact CZ-ND1 3.6Å
108L98.3Very high98.6Very high68 Ų6833.7 Ų33.736%0.35618%0.18SC..G310 helixtrans-66.7-17.7173.3-65.7-177.7000112.8G105 S106 S110 H308 Q313G105-L108 WeakPolarHBondContact O-CG 3.48Å; G105-L108 PolarHBondContact O-N 3.44Å; S106-L108 PolarHBondContact O-N 3.43Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 2.99Å; L108-S110 VanDerWaalsContact O-N 3.1Å; L108-H308 HydrophobicContact CD2-CB 4.27Å; L108-Q313 HydrophobicContact CD1-CB 4.16Å; L108-Q313 HydrophobicContact CD1-CG 3.75Å
109Y98.1Very high98.6Very high52 Ų5233.4 Ų33.420%0.20418%0.179CC..SBendtrans-80.981.2165.4-54.5-42.3000109S106 F107 E111 T112 W113 T203 N206S106-Y109 PolarHBondContact O-N 2.88Å; S106-Y109 VanDerWaalsContact O-N 3.15Å; F107-Y109 PolarHBondContact O-N 2.85Å; Y109-E111 VanDerWaalsContact C-N 3.35Å; Y109-E111 PolarHBondContact O-N 2.95Å; Y109-T112 PolarHBondContact O-N 3.27Å; Y109-W113 WeakPolarHBondContact O-CB 3.41Å; Y109-W113 PolarHBondContact O-N 3.14Å; Y109-T203 HydrophobicContact CD1-CG2 4.18Å; Y109-T203 HydrophobicContact CE1-CG2 4.44Å; Y109-N206 HydrophobicContact CE2-CB 3.64Å
110S96.9Very high98.6Very high50 Ų5032.9 Ų32.935%0.3517%0.171SC..Hα-helixtrans-53-45.4-167.434.90000114.3L108 W113 N114L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 2.99Å; L108-S110 VanDerWaalsContact O-N 3.1Å; S110-W113 PolarHBondContact O-N 2.91Å; S110-N114 VanDerWaalsContact O-CB 3.27Å; S110-N114 WeakPolarHBondContact O-CB 3.41Å; S110-N114 PolarHBondContact O-N 2.96Å; S110-N114 PolarHBondContact O-ND2 3.2Å; S110-N114 VanDerWaalsContact O-ND2 3.09Å
111E98.1Very high98.6Very high103 Ų10335.1 Ų35.148%0.48118%0.184SC..Hα-helixtrans-67.1-51.1-177.2-66.182.8166.500109.9Y109 W113 N114 I115 F199Y109-E111 VanDerWaalsContact C-N 3.35Å; Y109-E111 PolarHBondContact O-N 2.95Å; E111-W113 VanDerWaalsContact C-N 3.32Å; E111-W113 PolarHBondContact O-N 3.36Å; E111-N114 PolarHBondContact O-N 2.86Å; E111-I115 WeakPolarHBondContact O-CG1 3.44Å; E111-I115 PolarHBondContact O-N 2.9Å; E111-F199 HydrophobicContact CB-CB 4.05Å; E111-F199 HydrophobicContact CB-CD1 3.63Å; E111-F199 HydrophobicContact CB-CD2 4.01Å; E111-F199 HydrophobicContact CB-CE1 4Å; E111-F199 HydrophobicContact CB-CE2 4.33Å; E111-F199 HydrophobicContact CB-CG 3.64Å; E111-F199 HydrophobicContact CB-CZ 4.33Å; E111-F199 HydrophobicContact CG-CD1 4.04Å; E111-F199 HydrophobicContact CG-CE1 4.03Å; E111-F199 HydrophobicContact CG-CZ 4.49Å
112T98.6Very high98.6Very high13 Ų1335.7 Ų35.78%0.0819%0.189CC..Hα-helixtrans-57.5-45.6175.1-54.80000110.9Y109 G116 H196 F199 L200Y109-T112 PolarHBondContact O-N 3.27Å; T112-G116 PolarHBondContact O-N 2.85Å; T112-H196 WeakPolarHBondContact CG2-CE1 3.16Å; T112-H196 PolarHBondContact O-CE1 3.21Å; T112-H196 PolarHBondContact O-ND1 3.18Å; T112-F199 WeakPolarHBondContact OG1-CB 3.46Å; T112-L200 HydrophobicContact CG2-CB 4.2Å; T112-L200 PolarHBondContact OG1-N 3.34Å
113W98.8Very high98.6Very high25 Ų2534.9 Ų34.910%0.09519%0.185CC..Hα-helixtrans-63.1-48.2179.6-175.8-107.8000112.7I98 L102 F107 Y109 S110 E111 G116 I117 L301I98-W113 HydrophobicContact CG2-CH2 4.18Å; L102-W113 HydrophobicContact CD2-CH2 3.78Å; L102-W113 HydrophobicContact CD2-CZ2 3.98Å; L102-W113 HydrophobicContact CG-CH2 4.12Å; F107-W113 HydrophobicContact CB-CB 4.44Å; F107-W113 HydrophobicContact CB-CD2 3.33Å; F107-W113 VanDerWaalsContact CB-CE2 3.49Å; F107-W113 HydrophobicContact CB-CE3 3.61Å; F107-W113 HydrophobicContact CB-CG 3.72Å; F107-W113 HydrophobicContact CB-CH2 4.16Å; F107-W113 HydrophobicContact CB-CZ2 3.92Å; F107-W113 HydrophobicContact CB-CZ3 4.02Å; Y109-W113 WeakPolarHBondContact O-CB 3.41Å; Y109-W113 PolarHBondContact O-N 3.14Å; S110-W113 PolarHBondContact O-N 2.91Å; E111-W113 VanDerWaalsContact C-N 3.32Å; E111-W113 PolarHBondContact O-N 3.36Å; W113-G116 CarbonylContact O-C 3.26Å; W113-G116 VanDerWaalsContact O-CA 3.27Å; W113-G116 WeakPolarHBondContact O-CA 2.98Å; W113-G116 PolarHBondContact O-N 3.24Å; W113-I117 PolarHBondContact O-N 3.48Å; W113-L301 HydrophobicContact CH2-CD2 4.46Å; W113-L301 HydrophobicContact CZ2-CB 4.18Å; W113-L301 HydrophobicContact CZ2-CD2 4.02Å; W113-L301 PolarHBondContact NE1-O 3.43Å
114N98.6Very high98.6Very high70 Ų7034.1 Ų34.137%0.37418%0.183SC..Hα-helixtrans-66.6-40.4-179.1-71.6-30.3000112S110 E111 G116 I117 I118S110-N114 VanDerWaalsContact O-CB 3.27Å; S110-N114 WeakPolarHBondContact O-CB 3.41Å; S110-N114 PolarHBondContact O-N 2.96Å; S110-N114 PolarHBondContact O-ND2 3.2Å; S110-N114 VanDerWaalsContact O-ND2 3.09Å; E111-N114 PolarHBondContact O-N 2.86Å; N114-G116 PolarHBondContact O-N 3.21Å; N114-I117 PolarHBondContact O-N 2.93Å; N114-I118 WeakPolarHBondContact O-CG1 3.41Å; N114-I118 PolarHBondContact O-N 2.66Å; N114-I118 VanDerWaalsContact O-N 3.08Å
115I98.8Very high98.6Very high21 Ų2135 Ų3511%0.10820%0.195CC..Hα-helixtrans-62.1-35.9169.7-63-58.7000110.5E111 I117 I118 L119 L195 H196 F199E111-I115 WeakPolarHBondContact O-CG1 3.44Å; E111-I115 PolarHBondContact O-N 2.9Å; I115-I117 VanDerWaalsContact C-N 3.33Å; I115-I117 PolarHBondContact O-N 3.5Å; I115-I118 HydrophobicContact CD1-CD1 4.22Å; I115-I118 PolarHBondContact O-N 3.15Å; I115-L119 HydrophobicContact CG2-CD1 4.18Å; I115-L119 HydrophobicContact CG2-CG 4.42Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.18Å; I115-L195 HydrophobicContact CD1-CD2 3.79Å; I115-L195 HydrophobicContact CD1-CG 4.38Å; I115-L195 HydrophobicContact CG1-CD2 4.39Å; I115-L195 HydrophobicContact CG1-CG 4.45Å; I115-H196 HydrophobicContact CB-CB 4.47Å; I115-H196 HydrophobicContact CG2-CB 3.68Å; I115-F199 HydrophobicContact CG1-CD2 4.06Å; I115-F199 HydrophobicContact CG1-CE2 4.13Å
116G98.8Very high98.6Very high24 Ų2435.6 Ų35.625%0.24720%0.199CC..Hα-helixtrans-59.3-39.5172.900000113.5T112 W113 N114 L119 L120T112-G116 PolarHBondContact O-N 2.85Å; W113-G116 CarbonylContact O-C 3.26Å; W113-G116 VanDerWaalsContact O-CA 3.27Å; W113-G116 WeakPolarHBondContact O-CA 2.98Å; W113-G116 PolarHBondContact O-N 3.24Å; N114-G116 PolarHBondContact O-N 3.21Å; G116-L119 WeakPolarHBondContact O-CB 3.28Å; G116-L119 PolarHBondContact O-N 3.32Å; G116-L120 PolarHBondContact O-N 2.9Å
117I98.8Very high98.6Very high12 Ų1235.3 Ų35.36%0.06220%0.198CC..Hα-helixtrans-66.7-42.2174.4-62.5167.9000110.7W113 N114 I115 L119 L120 L121 L301 A302W113-I117 PolarHBondContact O-N 3.48Å; N114-I117 PolarHBondContact O-N 2.93Å; I115-I117 VanDerWaalsContact C-N 3.33Å; I115-I117 PolarHBondContact O-N 3.5Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 2.76Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.15Å; I117-L121 HydrophobicContact CG2-CD1 4.27Å; I117-L121 WeakPolarHBondContact O-CG 3.19Å; I117-L121 PolarHBondContact O-N 2.97Å; I117-L301 HydrophobicContact CD1-CB 3.84Å; I117-L301 HydrophobicContact CG1-CB 3.98Å; I117-A302 HydrophobicContact CD1-CB 3.89Å
118I98.8Very high98.6Very high82 Ų8236.8 Ų36.842%0.42120%0.204SC..Hα-helixtrans-62.7-41.8175.8-62.2172000110.5N114 I115 L121 A122 L192N114-I118 WeakPolarHBondContact O-CG1 3.41Å; N114-I118 PolarHBondContact O-N 2.66Å; N114-I118 VanDerWaalsContact O-N 3.08Å; I115-I118 HydrophobicContact CD1-CD1 4.22Å; I115-I118 PolarHBondContact O-N 3.15Å; I118-L121 PolarHBondContact O-N 3.22Å; I118-A122 WeakPolarHBondContact O-CB 3.33Å; I118-A122 PolarHBondContact O-N 2.83Å; I118-L192 HydrophobicContact CG2-CD1 3.86Å; I118-L192 HydrophobicContact CG2-CD2 4.34Å
119L98.9Very high98.6Very high25 Ų2534.4 Ų34.413%0.13119%0.191CC..Hα-helixtrans-60.3-44.3173.9-79.7167.4000112I115 G116 I117 A122 T123 I189 L192 A193 H196I115-L119 HydrophobicContact CG2-CD1 4.18Å; I115-L119 HydrophobicContact CG2-CG 4.42Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.18Å; G116-L119 WeakPolarHBondContact O-CB 3.28Å; G116-L119 PolarHBondContact O-N 3.32Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 2.76Å; L119-A122 PolarHBondContact O-N 3.44Å; L119-T123 WeakPolarHBondContact O-CB 3.43Å; L119-T123 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-OG1 3.29Å; L119-I189 HydrophobicContact CD2-CG2 3.82Å; L119-L192 HydrophobicContact CD2-CB 3.55Å; L119-L192 HydrophobicContact CG-CB 4.07Å; L119-A193 HydrophobicContact CD2-CB 4.39Å; L119-H196 HydrophobicContact CD1-CB 3.8Å
120L98.8Very high98.6Very high10 Ų1032.8 Ų32.85%0.05219%0.19CC..Hα-helixtrans-56.9-51.5174.4166.766000110.9L94 I98 G116 I117 A122 T123 M124 I298 L301L94-L120 HydrophobicContact CD1-CD1 4.24Å; L94-L120 HydrophobicContact CD2-CB 4.32Å; L94-L120 HydrophobicContact CD2-CD1 3.36Å; L94-L120 HydrophobicContact CD2-CG 4.33Å; L94-L120 HydrophobicContact CG-CD1 4.47Å; I98-L120 HydrophobicContact CD1-CD1 4.35Å; I98-L120 HydrophobicContact CD1-CD2 3.88Å; G116-L120 PolarHBondContact O-N 2.9Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.15Å; L120-A122 PolarHBondContact O-N 3.26Å; L120-T123 PolarHBondContact O-N 3.41Å; L120-M124 HydrophobicContact CD1-CG 3.99Å; L120-M124 HydrophobicContact CD1-SD 3.7Å; L120-M124 HydrophobicContact CG-SD 3.89Å; L120-M124 WeakPolarHBondContact O-CB 3.34Å; L120-M124 VanDerWaalsContact O-CG 3.24Å; L120-M124 WeakPolarHBondContact O-CG 3.28Å; L120-M124 PolarHBondContact O-N 3.37Å; L120-I298 HydrophobicContact CD2-CG2 3.74Å; L120-I298 HydrophobicContact CG-CG2 4.41Å; L120-L301 HydrophobicContact CD2-CD1 3.72Å
121L98.8Very high98.7Very high68 Ų6832.4 Ų32.436%0.35618%0.181SC..Hα-helixtrans-62.1-41.8-179.5-70.4169.8000112.3I117 I118 M124 A125 I298 L299I117-L121 HydrophobicContact CG2-CD1 4.27Å; I117-L121 WeakPolarHBondContact O-CG 3.19Å; I117-L121 PolarHBondContact O-N 2.97Å; I118-L121 PolarHBondContact O-N 3.22Å; L121-M124 PolarHBondContact O-N 3.43Å; L121-A125 WeakPolarHBondContact O-CB 3.29Å; L121-A125 PolarHBondContact O-N 3.28Å; L121-I298 HydrophobicContact CD2-CD1 4.5Å; L121-I298 HydrophobicContact CD2-CG2 3.76Å; L121-I298 HydrophobicContact CG-CG2 4.42Å; L121-L299 HydrophobicContact CD1-CD2 4.04Å
122A98.8Very high98.7Very high14 Ų1427.5 Ų27.512%0.11616%0.158CC..Hα-helixtrans-65-42.1177.200000112I118 L119 L120 A125 T126 I189I118-A122 WeakPolarHBondContact O-CB 3.33Å; I118-A122 PolarHBondContact O-N 2.83Å; L119-A122 PolarHBondContact O-N 3.44Å; L120-A122 PolarHBondContact O-N 3.26Å; A122-A125 PolarHBondContact O-N 2.56Å; A122-T126 WeakPolarHBondContact O-CB 3.28Å; A122-T126 PolarHBondContact O-N 2.6Å; A122-T126 PolarHBondContact O-OG1 3.44Å; A122-I189 HydrophobicContact CB-CD1 4.14Å; A122-I189 HydrophobicContact CB-CG1 3.71Å
123T98.9Very high98.7Very high9 Ų927.7 Ų27.76%0.05516%0.159CC..Hα-helixtrans-65.4-40.9175.5-60.60000111.4F90 F91 L94 L119 L120 T126 A127F90-T123 HydrophobicContact CD1-CG2 4Å; F90-T123 HydrophobicContact CE1-CG2 3.9Å; F90-T123 HydrophobicContact CG-CG2 4.46Å; F90-T123 HydrophobicContact CZ-CG2 4.26Å; F91-T123 HydrophobicContact CE2-CG2 4.26Å; F91-T123 HydrophobicContact CZ-CG2 3.99Å; L94-T123 HydrophobicContact CD1-CG2 4.04Å; L119-T123 WeakPolarHBondContact O-CB 3.43Å; L119-T123 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-OG1 3.29Å; L120-T123 PolarHBondContact O-N 3.41Å; T123-T126 PolarHBondContact O-N 3.23Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.36Å
124M98.8Very high98.7Very high18 Ų1827.8 Ų27.89%0.08916%0.163CC..Hα-helixtrans-59.3-49173-73.1177.188.500111.9F91 L120 L121 T126 A127 F128 F274 I298F91-M124 HydrophobicContact CE1-CG 3.83Å; F91-M124 HydrophobicContact CZ-CG 4.16Å; L120-M124 HydrophobicContact CD1-CG 3.99Å; L120-M124 HydrophobicContact CD1-SD 3.7Å; L120-M124 HydrophobicContact CG-SD 3.89Å; L120-M124 WeakPolarHBondContact O-CB 3.34Å; L120-M124 VanDerWaalsContact O-CG 3.24Å; L120-M124 WeakPolarHBondContact O-CG 3.28Å; L120-M124 PolarHBondContact O-N 3.37Å; L121-M124 PolarHBondContact O-N 3.43Å; M124-T126 VanDerWaalsContact C-N 3.34Å; M124-T126 PolarHBondContact O-N 2.88Å; M124-A127 PolarHBondContact O-N 3.38Å; M124-F128 WeakPolarHBondContact O-CB 3.24Å; M124-F128 PolarHBondContact O-N 3.3Å; M124-F274 HydrophobicContact CB-CE1 3.83Å; M124-F274 HydrophobicContact CB-CZ 4.25Å; M124-F274 HydrophobicContact CE-CD1 3.63Å; M124-F274 HydrophobicContact CE-CE1 3.49Å; M124-F274 VanDerWaalsContact CE-CE1 3.49Å; M124-F274 HydrophobicContact CG-CE1 3.83Å; M124-F274 WeakPolarHBondContact O-CZ 3.37Å; M124-I298 HydrophobicContact CE-CD1 3.42Å; M124-I298 VanDerWaalsContact CE-CD1 3.42Å; M124-I298 HydrophobicContact CE-CG1 4.17Å; M124-I298 HydrophobicContact SD-CD1 3.84Å; M124-I298 HydrophobicContact SD-CG1 4.42Å; M124-I298 HydrophobicContact SD-CG2 4.42Å
125A98.7Very high98.7Very high41 Ų4125.1 Ų25.134%0.33915%0.147SC..Hα-helixtrans-60.3-44.9176.700000111.6L121 A122 F128 M129 L185L121-A125 WeakPolarHBondContact O-CB 3.29Å; L121-A125 PolarHBondContact O-N 3.28Å; A122-A125 PolarHBondContact O-N 2.56Å; A125-F128 PolarHBondContact O-N 3.43Å; A125-M129 HydrophobicContact CB-CE 4.16Å; A125-M129 WeakPolarHBondContact O-CE 3.35Å; A125-M129 PolarHBondContact O-N 3.45Å; A125-M129 VanDerWaalsContact O-N 3.07Å; A125-L185 HydrophobicContact CB-CD1 4.3Å
126T98.9Very high98.7Very high14 Ų1424.1 Ų24.19%0.08614%0.142CC..Hα-helixtrans-59.5-49.4178.6-56.70000111.4A122 T123 M124 M129 G130 H182 L185 P186 I189A122-T126 WeakPolarHBondContact O-CB 3.28Å; A122-T126 PolarHBondContact O-N 2.6Å; A122-T126 PolarHBondContact O-OG1 3.44Å; T123-T126 PolarHBondContact O-N 3.23Å; M124-T126 VanDerWaalsContact C-N 3.34Å; M124-T126 PolarHBondContact O-N 2.88Å; T126-M129 PolarHBondContact O-N 2.74Å; T126-G130 PolarHBondContact O-N 2.96Å; T126-H182 PolarHBondContact O-CE1 3.08Å; T126-H182 PolarHBondContact O-ND1 2.91Å; T126-L185 HydrophobicContact CG2-CB 4.49Å; T126-L185 VanDerWaalsContact OG1-CB 3.23Å; T126-L185 WeakPolarHBondContact OG1-CB 3.2Å; T126-P186 HydrophobicContact CG2-CG 3.88Å; T126-I189 WeakPolarHBondContact OG1-CD1 3.43Å
127A98.8Very high98.7Very high12 Ų1223.5 Ų23.510%0.09913%0.133CC..Hα-helixtrans-67.2-41-178.300000112.4F91 T123 M124 G130 Y131 Y273F91-A127 HydrophobicContact CE2-CB 3.51Å; F91-A127 HydrophobicContact CZ-CB 3.88Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.36Å; M124-A127 PolarHBondContact O-N 3.38Å; A127-G130 PolarHBondContact O-N 2.97Å; A127-Y131 WeakPolarHBondContact O-CB 3.32Å; A127-Y131 PolarHBondContact O-N 2.78Å; A127-Y273 HydrophobicContact CB-CE2 3.98Å
128F98.7Very high98.6Very high41 Ų4123 Ų2318%0.1813%0.13CC..Hα-helixtrans-56.9-51.9174.3169.9-103.7000111.3M124 A125 G130 Y131 V132 I146 T147 F178 F274M124-F128 WeakPolarHBondContact O-CB 3.24Å; M124-F128 PolarHBondContact O-N 3.3Å; A125-F128 PolarHBondContact O-N 3.43Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.03Å; F128-Y131 PolarHBondContact O-N 3.08Å; F128-V132 WeakPolarHBondContact O-CG2 3.45Å; F128-V132 PolarHBondContact O-N 2.94Å; F128-I146 HydrophobicContact CD2-CG2 4.39Å; F128-I146 HydrophobicContact CE2-CB 3.75Å; F128-I146 HydrophobicContact CE2-CG1 4.07Å; F128-I146 HydrophobicContact CE2-CG2 3.73Å; F128-I146 HydrophobicContact CZ-CB 3.97Å; F128-I146 HydrophobicContact CZ-CG2 3.89Å; F128-T147 HydrophobicContact CE1-CG2 4.26Å; F128-T147 HydrophobicContact CZ-CG2 4.14Å; F128-F178 AromaticContact CE1-CE2 3.91Å; F128-F178 HydrophobicContact CE1-CE2 3.91Å; F128-F178 HydrophobicContact CE1-CZ 4.22Å; F128-F178 HydrophobicContact CZ-CE2 4.49Å; F128-F274 HydrophobicContact CB-CE2 4.27Å; F128-F274 HydrophobicContact CB-CZ 4.18Å
129M98.6Very high98.5Very high19 Ų1919 Ų199%0.09411%0.11CC..Hα-helixtrans-65.9-37.4179.4-71.8-179.6-77.600112.5A125 T126 Y131 V132 L133 F178 F181 H182 L185A125-M129 HydrophobicContact CB-CE 4.16Å; A125-M129 WeakPolarHBondContact O-CE 3.35Å; A125-M129 PolarHBondContact O-N 3.45Å; A125-M129 VanDerWaalsContact O-N 3.07Å; T126-M129 PolarHBondContact O-N 2.74Å; M129-Y131 VanDerWaalsContact C-N 3.28Å; M129-Y131 PolarHBondContact O-N 3.11Å; M129-V132 WeakPolarHBondContact O-CB 3.41Å; M129-V132 PolarHBondContact O-N 3.45Å; M129-V132 VanDerWaalsContact O-N 3.11Å; M129-L133 WeakPolarHBondContact O-CG 3.27Å; M129-F178 HydrophobicContact CB-CB 4.26Å; M129-F178 HydrophobicContact CB-CD2 4.4Å; M129-F178 HydrophobicContact CB-CG 4.35Å; M129-F178 HydrophobicContact CG-CB 4.28Å; M129-F178 HydrophobicContact CG-CD1 4.15Å; M129-F178 HydrophobicContact CG-CD2 3.99Å; M129-F178 HydrophobicContact CG-CE2 4.35Å; M129-F178 HydrophobicContact CG-CG 3.89Å; M129-F178 HydrophobicContact SD-CD1 4.11Å; M129-F178 HydrophobicContact SD-CG 4.33Å; M129-F181 HydrophobicContact CE-CB 3.91Å; M129-F181 HydrophobicContact SD-CB 3.46Å; M129-F181 WeakPolarHBondContact SD-CB 3.34Å; M129-F181 HydrophobicContact SD-CD2 4.5Å; M129-F181 HydrophobicContact SD-CG 4.32Å; M129-H182 HydrophobicContact CB-CB 4.1Å; M129-L185 HydrophobicContact CE-CD1 3.23Å
130G98.6Very high98.5Very high17 Ų1718.3 Ų18.318%0.17511%0.106CC..Hα-helixtrans-60-3917500000112.5T126 A127 F128 V132 L133 P134 H182T126-G130 PolarHBondContact O-N 2.96Å; A127-G130 PolarHBondContact O-N 2.97Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.03Å; G130-V132 PolarHBondContact O-N 3.17Å; G130-L133 WeakPolarHBondContact O-CB 3.27Å; G130-L133 WeakPolarHBondContact O-CG 3.32Å; G130-L133 PolarHBondContact O-N 2.99Å; G130-P134 WeakPolarHBondContact O-CD 3.37Å; G130-H182 WeakPolarHBondContact CA-CE1 3.28Å; G130-H182 VanDerWaalsContact CA-ND1 3.26Å; G130-H182 WeakPolarHBondContact CA-ND1 3.35Å; G130-H182 PolarHBondContact N-ND1 2.78Å
131Y98.6Very high98.5Very high42 Ų4219.4 Ų19.417%0.16511%0.109CC..Hα-helixtrans-68.6-18.8177.2-169-105.1000113.5A127 F128 M129 P134 M138 S139 E271A127-Y131 WeakPolarHBondContact O-CB 3.32Å; A127-Y131 PolarHBondContact O-N 2.78Å; F128-Y131 PolarHBondContact O-N 3.08Å; M129-Y131 VanDerWaalsContact C-N 3.28Å; M129-Y131 PolarHBondContact O-N 3.11Å; Y131-P134 WeakPolarHBondContact O-CD 3.33Å; Y131-M138 HydrophobicContact CE1-CB 4.17Å; Y131-S139 VanDerWaalsContact O-CB 3.27Å; Y131-S139 WeakPolarHBondContact O-CB 3.26Å; Y131-S139 PolarHBondContact O-OG 2.84Å; Y131-E271 HydrophobicContact CD1-CG 4.21Å; Y131-E271 HydrophobicContact CD2-CG 3.44Å; Y131-E271 VanDerWaalsContact CD2-CG 3.44Å; Y131-E271 HydrophobicContact CE1-CG 4.15Å; Y131-E271 HydrophobicContact CE2-CG 3.36Å; Y131-E271 WeakPolarHBondContact CE2-OE1 3.15Å; Y131-E271 HydrophobicContact CG-CG 3.86Å; Y131-E271 PolarHBondContact OH-OE1 3.23Å
132V98.6Very high98.3Very high1 Ų116.6 Ų16.61%0.00610%0.097CC..Hα-helixtrans-78.6-27.8175-177.70000111.8F128 M129 G130 W135 A143 L175 F178F128-V132 WeakPolarHBondContact O-CG2 3.45Å; F128-V132 PolarHBondContact O-N 2.94Å; M129-V132 WeakPolarHBondContact O-CB 3.41Å; M129-V132 PolarHBondContact O-N 3.45Å; M129-V132 VanDerWaalsContact O-N 3.11Å; G130-V132 PolarHBondContact O-N 3.17Å; V132-W135 HydrophobicContact CG1-CE3 4.16Å; V132-W135 HydrophobicContact CG1-CZ3 3.96Å; V132-W135 PolarHBondContact O-N 3.43Å; V132-A143 HydrophobicContact CG1-CB 4.06Å; V132-A143 HydrophobicContact CG2-CB 3.76Å; V132-L175 HydrophobicContact CG1-CD1 4.38Å; V132-F178 HydrophobicContact CB-CD2 3.95Å; V132-F178 HydrophobicContact CG1-CD2 3.99Å; V132-F178 HydrophobicContact CG2-CD2 3.89Å; V132-F178 HydrophobicContact CG2-CE2 4.06Å
133L98.8Very high98.2Very high16 Ų1616 Ų168%0.0849%0.092CC..THydrogen-bonded Turntrans-60.3-34.8-171.7-53.9-175.1000115.2Y55 M129 G130 W135 L175 F179 H182Y55-L133 HydrophobicContact CE1-CB 4.45Å; Y55-L133 HydrophobicContact CE2-CB 4.44Å; Y55-L133 WeakPolarHBondContact CE2-O 3.5Å; Y55-L133 PolarHBondContact OH-O 3.2Å; M129-L133 WeakPolarHBondContact O-CG 3.27Å; G130-L133 WeakPolarHBondContact O-CB 3.27Å; G130-L133 WeakPolarHBondContact O-CG 3.32Å; G130-L133 PolarHBondContact O-N 2.99Å; L133-W135 PolarHBondContact O-N 3.07Å; L133-W135 VanDerWaalsContact O-N 3.15Å; L133-L175 HydrophobicContact CD2-CD1 4Å; L133-F179 HydrophobicContact CD1-CD2 4.04Å; L133-F179 HydrophobicContact CD2-CB 3.9Å; L133-H182 HydrophobicContact CD1-CB 4.3Å
134P98.4Very high98.2Very high28 Ų2817 Ų1718%0.18210%0.098CC..THydrogen-bonded Turntrans-63.4-17.6175.5-2535.8000115.2F63 I66 G130 Y131 G136F63-P134 WeakPolarHBondContact CA-O 3.33Å; F63-P134 WeakPolarHBondContact CD2-O 3.47Å; I66-P134 HydrophobicContact CG1-CB 4.43Å; G130-P134 WeakPolarHBondContact O-CD 3.37Å; Y131-P134 WeakPolarHBondContact O-CD 3.33Å; P134-G136 PolarHBondContact O-N 3.04Å
135W98.4Very high98Very high13 Ų1318.8 Ų18.85%0.04911%0.11CC..  trans55.635.3177.5-150.9-111.1000114.4A59 A62 F63 V132 L133 F140 V170 L175 A259A59-W135 HydrophobicContact CB-CZ2 3.75Å; A62-W135 HydrophobicContact CB-CB 3.85Å; A62-W135 HydrophobicContact CB-CG 4.39Å; F63-W135 HydrophobicContact CB-CB 4.46Å; V132-W135 HydrophobicContact CG1-CE3 4.16Å; V132-W135 HydrophobicContact CG1-CZ3 3.96Å; V132-W135 PolarHBondContact O-N 3.43Å; L133-W135 PolarHBondContact O-N 3.07Å; L133-W135 VanDerWaalsContact O-N 3.15Å; W135-F140 HydrophobicContact CH2-CD2 4.08Å; W135-F140 AromaticContact CZ2-CD2 3.93Å; W135-F140 HydrophobicContact CZ2-CD2 3.93Å; W135-F140 HydrophobicContact CZ2-CE2 4.32Å; W135-V170 HydrophobicContact CH2-CG1 3.7Å; W135-V170 HydrophobicContact CZ3-CG1 4.04Å; W135-L175 HydrophobicContact CD2-CD2 3.84Å; W135-L175 HydrophobicContact CE3-CB 4.26Å; W135-L175 HydrophobicContact CE3-CD1 3.65Å; W135-L175 HydrophobicContact CE3-CD2 3.67Å; W135-L175 HydrophobicContact CE3-CG 4.07Å; W135-L175 HydrophobicContact CG-CD2 4.27Å; W135-L175 HydrophobicContact CH2-CB 4.15Å; W135-L175 HydrophobicContact CZ3-CB 3.8Å; W135-L175 HydrophobicContact CZ3-CD1 3.86Å; W135-L175 HydrophobicContact CZ3-CD2 4.05Å; W135-L175 HydrophobicContact CZ3-CG 4.12Å; W135-A259 HydrophobicContact CG-CB 4.41Å; W135-A259 WeakPolarHBondContact O-CB 3.48Å; W135-A259 PolarHBondContact O-N 3.49Å; W135-A259 VanDerWaalsContact O-N 3.11Å
136G98.3Very high97.9Very high0 Ų019.1 Ų19.10%011%0.105CC..BIsolated β-bridgetrans-84.9-179.9168.800000112.6P134 M138 S139 F140 N255 T257P134-G136 PolarHBondContact O-N 3.04Å; G136-M138 PolarHBondContact O-N 3.39Å; G136-S139 WeakPolarHBondContact O-CB 3.42Å; G136-S139 PolarHBondContact O-N 3.4Å; G136-F140 PolarHBondContact O-N 2.97Å; G136-N255 VanDerWaalsContact C-OD1 3.3Å; G136-N255 VanDerWaalsContact CA-OD1 3.25Å; G136-N255 WeakPolarHBondContact CA-OD1 3.43Å; G136-T257 CarbonylContact C-O 3.51Å; G136-T257 WeakPolarHBondContact CA-O 3.41Å
137Q98.1Very high97.8Very high11 Ų1118.9 Ų18.95%0.05110%0.104CC..Hα-helixtrans-58.9-48.1-179.1-74.8-76.754.500113F140 W141 D254 T257 N263 P265Q137-F140 PolarHBondContact O-N 3.4Å; Q137-W141 WeakPolarHBondContact O-CB 3.49Å; Q137-W141 PolarHBondContact O-N 3.3Å; Q137-D254 HydrophobicContact CB-CB 4.46Å; Q137-T257 WeakPolarHBondContact CG-OG1 3.41Å; Q137-T257 PolarHBondContact N-O 3.32Å; Q137-N263 PolarHBondContact NE2-O 3.08Å; Q137-P265 HydrophobicContact CB-CG 3.86Å
138M97.2Very high97.8Very high1 Ų121.3 Ų21.31%0.00512%0.115CC..Hα-helixtrans-68.6-36.4179.8-70.2-62.916300112.1Y131 G136 G142 D252 D254 N255 P265Y131-M138 HydrophobicContact CE1-CB 4.17Å; G136-M138 PolarHBondContact O-N 3.39Å; M138-G142 WeakPolarHBondContact O-CA 3.41Å; M138-G142 PolarHBondContact O-N 2.92Å; M138-D252 HydrophobicContact CG-CB 4.1Å; M138-D254 HydrophobicContact CE-CB 3.52Å; M138-D254 WeakPolarHBondContact CE-OD2 3.39Å; M138-D254 HydrophobicContact CG-CB 3.8Å; M138-N255 HydrophobicContact CB-CB 4.17Å; M138-N255 PolarHBondContact N-OD1 2.86Å; M138-P265 HydrophobicContact CE-CB 3.48Å; M138-P265 VanDerWaalsContact CE-CB 3.48Å; M138-P265 HydrophobicContact CE-CG 3.98Å
139S97.4Very high97.6Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-55.7-54.1171.7-66.20000111.9Y131 G136 A143 N255Y131-S139 VanDerWaalsContact O-CB 3.27Å; Y131-S139 WeakPolarHBondContact O-CB 3.26Å; Y131-S139 PolarHBondContact O-OG 2.84Å; G136-S139 WeakPolarHBondContact O-CB 3.42Å; G136-S139 PolarHBondContact O-N 3.4Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 2.91Å; S139-N255 PolarHBondContact N-OD1 3.44Å; S139-N255 PolarHBondContact OG-ND2 3.11Å; S139-N255 PolarHBondContact OG-OD1 3.25Å
140F98.1Very high97.4Very high10 Ų1022.3 Ų22.34%0.04412%0.123CC..Hα-helixtrans-68.7-50.1-175.6175.4-91.5000112.7W135 G136 Q137 A143 T144 V170 A259 P261W135-F140 HydrophobicContact CH2-CD2 4.08Å; W135-F140 AromaticContact CZ2-CD2 3.93Å; W135-F140 HydrophobicContact CZ2-CD2 3.93Å; W135-F140 HydrophobicContact CZ2-CE2 4.32Å; G136-F140 PolarHBondContact O-N 2.97Å; Q137-F140 PolarHBondContact O-N 3.4Å; F140-A143 PolarHBondContact O-N 3.27Å; F140-T144 PolarHBondContact O-N 3.4Å; F140-T144 PolarHBondContact O-OG1 3.48Å; F140-T144 VanDerWaalsContact O-OG1 3.05Å; F140-V170 HydrophobicContact CD2-CG1 4.08Å; F140-V170 HydrophobicContact CE2-CB 4.11Å; F140-V170 HydrophobicContact CE2-CG1 4.1Å; F140-V170 VanDerWaalsContact CE2-O 3.3Å; F140-V170 WeakPolarHBondContact CE2-O 3.45Å; F140-A259 HydrophobicContact CB-CB 3.51Å; F140-A259 HydrophobicContact CD2-CB 4.28Å; F140-A259 HydrophobicContact CG-CB 3.93Å; F140-P261 HydrophobicContact CE1-CB 4.12Å; F140-P261 HydrophobicContact CE1-CG 4.27Å; F140-P261 HydrophobicContact CE2-CG 4.24Å; F140-P261 HydrophobicContact CZ-CB 3.87Å; F140-P261 HydrophobicContact CZ-CG 3.81Å
141W98.3Very high97.3Very high32 Ų3223 Ų2312%0.12112%0.124CC..Hα-helixtrans-71.7-35.2-177.6-73.8105.7000112Q137 T144 V145 N260 P261 N263 T264 P265 I268Q137-W141 WeakPolarHBondContact O-CB 3.49Å; Q137-W141 PolarHBondContact O-N 3.3Å; W141-T144 PolarHBondContact O-N 3.47Å; W141-V145 WeakPolarHBondContact O-CB 3.5Å; W141-V145 WeakPolarHBondContact O-CG2 3.48Å; W141-V145 PolarHBondContact O-N 3.43Å; W141-N260 PolarHBondContact NE1-O 2.83Å; W141-P261 WeakPolarHBondContact CH2-O 3.13Å; W141-P261 WeakPolarHBondContact CZ2-O 3.46Å; W141-N263 PolarHBondContact NE1-O 3.48Å; W141-N263 VanDerWaalsContact NE1-O 3.1Å; W141-T264 HydrophobicContact CD2-CG2 4.2Å; W141-T264 HydrophobicContact CE3-CG2 4.19Å; W141-T264 HydrophobicContact CH2-CG2 4.48Å; W141-T264 VanDerWaalsContact CH2-OG1 3.26Å; W141-T264 WeakPolarHBondContact CH2-OG1 3.03Å; W141-T264 HydrophobicContact CZ2-CG2 4.48Å; W141-T264 WeakPolarHBondContact CZ2-OG1 3.07Å; W141-T264 HydrophobicContact CZ3-CG2 4.34Å; W141-P265 HydrophobicContact CG-CG 4.38Å; W141-I268 HydrophobicContact CB-CD1 3.72Å; W141-I268 HydrophobicContact CB-CG1 3.89Å; W141-I268 HydrophobicContact CB-CG2 4.13Å; W141-I268 HydrophobicContact CD2-CD1 4.27Å; W141-I268 HydrophobicContact CE3-CD1 4.19Å; W141-I268 HydrophobicContact CG-CD1 4.11Å; W141-I268 HydrophobicContact CG-CG1 4.49Å
142G96Very high97.2Very high9 Ų921.8 Ų21.89%0.09312%0.123CC..Hα-helixtrans-59.4-47.4170.100000111.7M138 T144 V145 I146M138-G142 WeakPolarHBondContact O-CA 3.41Å; M138-G142 PolarHBondContact O-N 2.92Å; G142-T144 PolarHBondContact O-N 3.43Å; G142-V145 PolarHBondContact O-N 2.97Å; G142-I146 WeakPolarHBondContact O-CB 3.34Å; G142-I146 VanDerWaalsContact O-CG1 3.25Å; G142-I146 WeakPolarHBondContact O-CG1 3.24Å; G142-I146 PolarHBondContact O-N 3.2Å
143A96.8Very high97.2Very high1 Ų124.4 Ų24.41%0.00814%0.137CC..Hα-helixtrans-58.2-49.4175.600000111.7V132 S139 F140 V145 T147 V170V132-A143 HydrophobicContact CG1-CB 4.06Å; V132-A143 HydrophobicContact CG2-CB 3.76Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 2.91Å; F140-A143 PolarHBondContact O-N 3.27Å; A143-V145 PolarHBondContact O-N 3.4Å; A143-T147 WeakPolarHBondContact O-CB 3.4Å; A143-T147 WeakPolarHBondContact O-CG2 3.15Å; A143-T147 PolarHBondContact O-N 3.27Å; A143-T147 PolarHBondContact O-OG1 3.34Å; A143-V170 HydrophobicContact CB-CG1 4.19Å; A143-V170 HydrophobicContact CB-CG2 4.27Å
144T97.4Very high97.1Very high30 Ų3027.1 Ų27.118%0.18416%0.155CC..Hα-helixtrans-58.7-49.4-179.6-630000111.8F140 W141 G142 N148F140-T144 PolarHBondContact O-N 3.4Å; F140-T144 PolarHBondContact O-OG1 3.48Å; F140-T144 VanDerWaalsContact O-OG1 3.05Å; W141-T144 PolarHBondContact O-N 3.47Å; G142-T144 PolarHBondContact O-N 3.43Å; T144-N148 WeakPolarHBondContact O-CB 3.27Å; T144-N148 PolarHBondContact O-N 2.78Å
145V96.6Very high97Very high56 Ų5636.5 Ų36.534%0.33919%0.189SC..Hα-helixtrans-67.3-49.7-177.6171.60000111.4W141 G142 A143 N148 L149 I268W141-V145 WeakPolarHBondContact O-CB 3.5Å; W141-V145 WeakPolarHBondContact O-CG2 3.48Å; W141-V145 PolarHBondContact O-N 3.43Å; G142-V145 PolarHBondContact O-N 2.97Å; A143-V145 PolarHBondContact O-N 3.4Å; V145-N148 PolarHBondContact O-N 3.48Å; V145-L149 PolarHBondContact O-N 3.17Å; V145-I268 HydrophobicContact CG2-CD1 4.27Å; V145-I268 HydrophobicContact CG2-CG2 4.3Å
146I95.8Very high96.9Very high48 Ų4840.8 Ų40.825%0.24621%0.212CC..Hα-helixtrans-69.1-44.3-173.2-63.5-61.6000111.6F128 G142 N148 L149F128-I146 HydrophobicContact CD2-CG2 4.39Å; F128-I146 HydrophobicContact CE2-CB 3.75Å; F128-I146 HydrophobicContact CE2-CG1 4.07Å; F128-I146 HydrophobicContact CE2-CG2 3.73Å; F128-I146 HydrophobicContact CZ-CB 3.97Å; F128-I146 HydrophobicContact CZ-CG2 3.89Å; G142-I146 WeakPolarHBondContact O-CB 3.34Å; G142-I146 VanDerWaalsContact O-CG1 3.25Å; G142-I146 WeakPolarHBondContact O-CG1 3.24Å; G142-I146 PolarHBondContact O-N 3.2Å; I146-N148 VanDerWaalsContact C-N 3.34Å; I146-N148 PolarHBondContact O-N 3.23Å; I146-L149 HydrophobicContact CD1-CD1 4.23Å; I146-L149 WeakPolarHBondContact O-CB 3.33Å; I146-L149 WeakPolarHBondContact O-CG 3.45Å; I146-L149 PolarHBondContact O-N 3.3Å
147T97.2Very high96.9Very high10 Ų1040.9 Ų40.96%0.06121%0.212CC..Hα-helixtrans-68.1-35.4178.755.10000112F128 A143 L149 L150 V161 I164 W165 F178F128-T147 HydrophobicContact CE1-CG2 4.26Å; F128-T147 HydrophobicContact CZ-CG2 4.14Å; A143-T147 WeakPolarHBondContact O-CB 3.4Å; A143-T147 WeakPolarHBondContact O-CG2 3.15Å; A143-T147 PolarHBondContact O-N 3.27Å; A143-T147 PolarHBondContact O-OG1 3.34Å; T147-L149 PolarHBondContact O-N 3.14Å; T147-L149 VanDerWaalsContact O-N 3.12Å; T147-L150 WeakPolarHBondContact O-CB 3.44Å; T147-L150 PolarHBondContact O-N 3.19Å; T147-L150 VanDerWaalsContact O-N 3.12Å; T147-V161 WeakPolarHBondContact O-CG2 3.13Å; T147-I164 HydrophobicContact CG2-CG2 4.4Å; T147-W165 PolarHBondContact OG1-NE1 3.12Å; T147-F178 HydrophobicContact CG2-CZ 4.03Å
148N97.1Very high96.9Very high63 Ų6344.1 Ų44.134%0.33723%0.233SC..G310 helixtrans-69.8-4.7175.9-168.634.7000113.7T144 V145 I146 L150 S151 W165 K287T144-N148 WeakPolarHBondContact O-CB 3.27Å; T144-N148 PolarHBondContact O-N 2.78Å; V145-N148 PolarHBondContact O-N 3.48Å; I146-N148 VanDerWaalsContact C-N 3.34Å; I146-N148 PolarHBondContact O-N 3.23Å; N148-L150 PolarHBondContact O-N 3.11Å; N148-S151 PolarHBondContact O-N 3.1Å; N148-S151 PolarHBondContact O-OG 3.26Å; N148-S151 PolarHBondContact OD1-OG 2.91Å; N148-W165 HydrophobicContact CB-CH2 4.28Å; N148-W165 HydrophobicContact CB-CZ2 4.09Å; N148-K287 WeakPolarHBondContact O-CE 2.9Å; N148-K287 PolarHBondContact O-NZ 2.83Å
149L95.3Very high96.9Very high25 Ų2549 Ų4913%0.13126%0.259CS..G310 helixtrans-62.7-32.1167.5-66.8179.7000111.7V145 I146 T147 S151 A152 L281 V291V145-L149 PolarHBondContact O-N 3.17Å; I146-L149 HydrophobicContact CD1-CD1 4.23Å; I146-L149 WeakPolarHBondContact O-CB 3.33Å; I146-L149 WeakPolarHBondContact O-CG 3.45Å; I146-L149 PolarHBondContact O-N 3.3Å; T147-L149 PolarHBondContact O-N 3.14Å; T147-L149 VanDerWaalsContact O-N 3.12Å; L149-S151 PolarHBondContact O-N 3.42Å; L149-A152 VanDerWaalsContact O-CB 3.24Å; L149-A152 WeakPolarHBondContact O-CB 3.46Å; L149-A152 PolarHBondContact O-N 3.08Å; L149-A152 VanDerWaalsContact O-N 3.08Å; L149-L281 HydrophobicContact CD1-CD1 4.36Å; L149-L281 HydrophobicContact CD1-CD2 3.68Å; L149-L281 HydrophobicContact CD2-CD1 4.25Å; L149-L281 HydrophobicContact CD2-CD2 4.15Å; L149-V291 HydrophobicContact CB-CG2 3.73Å; L149-V291 HydrophobicContact CD2-CG2 4.03Å; L149-V291 HydrophobicContact CG-CG2 4.3Å
150L95.1Very high96.9Very high56 Ų5651.5 Ų51.529%0.29327%0.272SS..G310 helixtrans-66.1-20.8179.6-64.8172.6000113.3T147 N148 A152 I153 G157 L160 V161 I164T147-L150 WeakPolarHBondContact O-CB 3.44Å; T147-L150 PolarHBondContact O-N 3.19Å; T147-L150 VanDerWaalsContact O-N 3.12Å; N148-L150 PolarHBondContact O-N 3.11Å; L150-A152 PolarHBondContact O-N 3.45Å; L150-A152 VanDerWaalsContact O-N 3.11Å; L150-I153 HydrophobicContact CD2-CD1 4.07Å; L150-I153 WeakPolarHBondContact O-CB 3.2Å; L150-I153 WeakPolarHBondContact O-CG1 3.45Å; L150-I153 PolarHBondContact O-N 3.42Å; L150-G157 WeakPolarHBondContact O-CA 3.47Å; L150-L160 HydrophobicContact CB-CD2 4.26Å; L150-L160 HydrophobicContact CD1-CD2 4.24Å; L150-V161 HydrophobicContact CB-CG2 3.79Å; L150-I164 HydrophobicContact CD1-CD1 3.29Å
151S96.9Very high96.9Very high30 Ų3051.2 Ų51.221%0.2127%0.271CS..G310 helixtrans-68.3-7.3173.8650000113.6N148 L149 K287N148-S151 PolarHBondContact O-N 3.1Å; N148-S151 PolarHBondContact O-OG 3.26Å; N148-S151 PolarHBondContact OD1-OG 2.91Å; L149-S151 PolarHBondContact O-N 3.42Å; S151-K287 PolarHBondContact OG-NZ 3.28Å
152A96.4Very high96.9Very high17 Ų1753.5 Ų53.514%0.1428%0.283CS..G310 helixtrans-72.4-16.6169.700000113.4L149 L150 P154 K287 L288 V291L149-A152 VanDerWaalsContact O-CB 3.24Å; L149-A152 WeakPolarHBondContact O-CB 3.46Å; L149-A152 PolarHBondContact O-N 3.08Å; L149-A152 VanDerWaalsContact O-N 3.08Å; L150-A152 PolarHBondContact O-N 3.45Å; L150-A152 VanDerWaalsContact O-N 3.11Å; A152-P154 WeakPolarHBondContact O-CD 3.45Å; A152-K287 HydrophobicContact CB-CB 4.5Å; A152-K287 HydrophobicContact CB-CD 3.96Å; A152-K287 HydrophobicContact CB-CG 3.9Å; A152-L288 HydrophobicContact CB-CB 4.27Å; A152-L288 HydrophobicContact CB-CD1 4.38Å; A152-V291 HydrophobicContact CB-CG2 4.36Å
153I96.9Very high97Very high57 Ų5762 Ų6229%0.29231%0.313SS..SBendtrans-68.3123.1178.9-61.2171.3000108.8L150 I156 G157 L160L150-I153 HydrophobicContact CD2-CD1 4.07Å; L150-I153 WeakPolarHBondContact O-CB 3.2Å; L150-I153 WeakPolarHBondContact O-CG1 3.45Å; L150-I153 PolarHBondContact O-N 3.42Å; I153-I156 HydrophobicContact CG2-CD1 4.16Å; I153-I156 HydrophobicContact CG2-CG1 3.68Å; I153-G157 VanDerWaalsContact O-CA 3.32Å; I153-G157 WeakPolarHBondContact O-CA 3.47Å; I153-G157 PolarHBondContact O-N 3.45Å; I153-G157 VanDerWaalsContact O-N 3.07Å; I153-L160 HydrophobicContact CD1-CD2 4.07Å
154P96.6Very high97.1Very high73 Ų7363.6 Ų63.647%0.47432%0.32SS..THydrogen-bonded Turntrans-57.7144179.3-25.234.8000112.5A152 I156 L288A152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-I156 PolarHBondContact O-N 2.87Å; P154-L288 HydrophobicContact CG-CD2 4.43Å
155Y96.5Very high97.1Very high224 Ų22463.2 Ų63.288%0.87832%0.316SS*.THydrogen-bonded Turntrans68.8-53.2176.9-46.1-69.8000115.7
156I97.9Very high97.2Very high104 Ų10462.4 Ų62.453%0.53332%0.318SS..THydrogen-bonded Turntrans-103.2-6.8-170.762.3169.4000114.3I153 P154 T158 D159 L160I153-I156 HydrophobicContact CG2-CD1 4.16Å; I153-I156 HydrophobicContact CG2-CG1 3.68Å; P154-I156 PolarHBondContact O-N 2.87Å; I156-T158 PolarHBondContact O-N 3.13Å; I156-D159 PolarHBondContact O-N 2.88Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 PolarHBondContact O-N 3.2Å
157G97.4Very high97.2Very high1 Ų161.5 Ų61.51%0.0132%0.321CS..Hα-helixtrans-63.1-42.8-167.400000114.3L150 I153 L160 V161L150-G157 WeakPolarHBondContact O-CA 3.47Å; I153-G157 VanDerWaalsContact O-CA 3.32Å; I153-G157 WeakPolarHBondContact O-CA 3.47Å; I153-G157 PolarHBondContact O-N 3.45Å; I153-G157 VanDerWaalsContact O-N 3.07Å; G157-L160 PolarHBondContact O-N 3.12Å; G157-V161 WeakPolarHBondContact O-CG2 3.37Å; G157-V161 PolarHBondContact O-N 3.16Å; G157-V161 VanDerWaalsContact O-N 3.1Å
158T97.3Very high97.2Very high79 Ų7970.4 Ų70.449%0.48536%0.355SS..Hα-helixtrans-65-44.5179.7470000111.7I156 L160 V161 Q162I156-T158 PolarHBondContact O-N 3.13Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 3.13Å; T158-V161 PolarHBondContact O-N 2.77Å; T158-Q162 PolarHBondContact O-N 2.74Å
159D98.2Very high97.1Very high103 Ų10370.5 Ų70.555%0.55136%0.36SS*.Hα-helixtrans-66.5-39.1-179.4-60.3-8.3000110.4I156 V161 Q162 W163I156-D159 PolarHBondContact O-N 2.88Å; D159-V161 PolarHBondContact O-N 2.99Å; D159-Q162 PolarHBondContact O-N 2.91Å; D159-W163 WeakPolarHBondContact O-CB 3.34Å; D159-W163 PolarHBondContact O-N 3.27Å
160L97.9Very high97.3Very high54 Ų5469.4 Ų69.428%0.28336%0.355SS..Hα-helixtrans-61.8-43.4175.4-176.864.4000112L150 I153 I156 G157 T158 W163 I164L150-L160 HydrophobicContact CB-CD2 4.26Å; L150-L160 HydrophobicContact CD1-CD2 4.24Å; I153-L160 HydrophobicContact CD1-CD2 4.07Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 PolarHBondContact O-N 3.2Å; G157-L160 PolarHBondContact O-N 3.12Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 3.13Å; L160-W163 HydrophobicContact CD1-CE3 4.27Å; L160-W163 PolarHBondContact O-N 3.24Å; L160-I164 HydrophobicContact CD1-CD1 4.38Å; L160-I164 HydrophobicContact CG-CD1 4.15Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.5Å; L160-I164 PolarHBondContact O-N 3.3Å
161V98.2Very high97.3Very high3 Ų370.7 Ų70.72%0.01836%0.362CS..Hα-helixtrans-63.9-49.1177.8170.40000111T147 L150 G157 T158 D159 W163 I164 W165T147-V161 WeakPolarHBondContact O-CG2 3.13Å; L150-V161 HydrophobicContact CB-CG2 3.79Å; G157-V161 WeakPolarHBondContact O-CG2 3.37Å; G157-V161 PolarHBondContact O-N 3.16Å; G157-V161 VanDerWaalsContact O-N 3.1Å; T158-V161 PolarHBondContact O-N 2.77Å; D159-V161 PolarHBondContact O-N 2.99Å; V161-W163 VanDerWaalsContact C-N 3.28Å; V161-W163 PolarHBondContact O-N 3.4Å; V161-I164 PolarHBondContact O-N 3.47Å; V161-I164 VanDerWaalsContact O-N 3.17Å; V161-W165 HydrophobicContact CG1-CD2 3.63Å; V161-W165 VanDerWaalsContact CG1-CE2 3.43Å; V161-W165 HydrophobicContact CG1-CE3 3.69Å; V161-W165 HydrophobicContact CG1-CG 4.47Å; V161-W165 HydrophobicContact CG1-CH2 3.45Å; V161-W165 VanDerWaalsContact CG1-CH2 3.45Å; V161-W165 HydrophobicContact CG1-CZ2 3.36Å; V161-W165 HydrophobicContact CG1-CZ3 3.6Å; V161-W165 PolarHBondContact O-N 2.58Å
162Q98.1Very high97.4Very high81 Ų8170.5 Ų70.538%0.37936%0.36SS..Hα-helixtrans-64.1-35178.4-69.8-179.4-2.500112T158 D159 W165 G166 G167T158-Q162 PolarHBondContact O-N 2.74Å; D159-Q162 PolarHBondContact O-N 2.91Å; Q162-W165 PolarHBondContact O-N 3.42Å; Q162-G166 WeakPolarHBondContact O-CA 3.37Å; Q162-G166 PolarHBondContact O-N 3.12Å; Q162-G167 WeakPolarHBondContact CA-O 3.42Å; Q162-G167 PolarHBondContact O-N 3.38Å
163W98.3Very high97.4Very high188 Ų18872.4 Ų72.471%0.71237%0.371SS*.Hα-helixtrans-64-44.6173-17979.6000111.7D159 L160 V161 W165 G166 R177D159-W163 WeakPolarHBondContact O-CB 3.34Å; D159-W163 PolarHBondContact O-N 3.27Å; L160-W163 HydrophobicContact CD1-CE3 4.27Å; L160-W163 PolarHBondContact O-N 3.24Å; V161-W163 VanDerWaalsContact C-N 3.28Å; V161-W163 PolarHBondContact O-N 3.4Å; W163-W165 VanDerWaalsContact C-N 3.33Å; W163-W165 PolarHBondContact O-N 2.92Å; W163-G166 PolarHBondContact O-N 3.19Å; W163-R177 PolarHBondContact O-NH1 2.93Å
164I97.4Very high97.5Very high33 Ų3369.7 Ų69.717%0.16936%0.358CS..Hα-helixtrans-63.2-38.7174.9-71.5167.6000111.3T147 L150 L160 V161 R177 F178T147-I164 HydrophobicContact CG2-CG2 4.4Å; L150-I164 HydrophobicContact CD1-CD1 3.29Å; L160-I164 HydrophobicContact CD1-CD1 4.38Å; L160-I164 HydrophobicContact CG-CD1 4.15Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.5Å; L160-I164 PolarHBondContact O-N 3.3Å; V161-I164 PolarHBondContact O-N 3.47Å; V161-I164 VanDerWaalsContact O-N 3.17Å; I164-R177 WeakPolarHBondContact O-CD 3.41Å; I164-R177 PolarHBondContact O-NE 3.48Å; I164-R177 PolarHBondContact O-NH1 3.34Å; I164-F178 HydrophobicContact CG2-CE1 4.22Å; I164-F178 HydrophobicContact CG2-CZ 4.4Å
165W98.3Very high97.6Very high23 Ų2366.2 Ų66.29%0.08734%0.335CS..Hα-helixtrans-74-33.2177.6-66.2-17.3000112.8T147 N148 V161 Q162 W163 G167 Y168 V170 T174T147-W165 PolarHBondContact OG1-NE1 3.12Å; N148-W165 HydrophobicContact CB-CH2 4.28Å; N148-W165 HydrophobicContact CB-CZ2 4.09Å; V161-W165 HydrophobicContact CG1-CD2 3.63Å; V161-W165 VanDerWaalsContact CG1-CE2 3.43Å; V161-W165 HydrophobicContact CG1-CE3 3.69Å; V161-W165 HydrophobicContact CG1-CG 4.47Å; V161-W165 HydrophobicContact CG1-CH2 3.45Å; V161-W165 VanDerWaalsContact CG1-CH2 3.45Å; V161-W165 HydrophobicContact CG1-CZ2 3.36Å; V161-W165 HydrophobicContact CG1-CZ3 3.6Å; V161-W165 PolarHBondContact O-N 2.58Å; Q162-W165 PolarHBondContact O-N 3.42Å; W163-W165 VanDerWaalsContact C-N 3.33Å; W163-W165 PolarHBondContact O-N 2.92Å; W165-G167 VanDerWaalsContact C-N 3.31Å; W165-Y168 VanDerWaalsContact CZ3-O 3.27Å; W165-Y168 WeakPolarHBondContact CZ3-O 3.37Å; W165-V170 HydrophobicContact CD2-CG2 4.41Å; W165-V170 HydrophobicContact CG-CG2 4.37Å; W165-V170 HydrophobicContact CZ2-CG2 4.36Å; W165-T174 WeakPolarHBondContact CA-OG1 3.19Å; W165-T174 PolarHBondContact O-N 3.44Å; W165-T174 PolarHBondContact O-OG1 2.97Å
166G97.4Very high97.7Very high38 Ų3858.5 Ų58.539%0.39231%0.312SS..THydrogen-bonded Turntrans73.327.4-168.700000113.1Q162 W163Q162-G166 WeakPolarHBondContact O-CA 3.37Å; Q162-G166 PolarHBondContact O-N 3.12Å; W163-G166 PolarHBondContact O-N 3.19Å
167G96.3Very high97.7Very high30 Ų3056.8 Ų56.831%0.30930%0.298SS..SBendtrans172.4-166.2-171.700000110.9Q162 W165Q162-G167 WeakPolarHBondContact CA-O 3.42Å; Q162-G167 PolarHBondContact O-N 3.38Å; W165-G167 VanDerWaalsContact C-N 3.31Å
168Y97.1Very high97.7Very high197 Ų19757.3 Ų57.377%0.77330%0.3SS*.SBendtrans-90.6-10.7-176.5-59.2-71.5000114.1W165W165-Y168 VanDerWaalsContact CZ3-O 3.27Å; W165-Y168 WeakPolarHBondContact CZ3-O 3.37Å
169S96.4Very high97.8Very high64 Ų6455.5 Ų55.545%0.44829%0.286SS..SBendtrans-150.4167.6177.456.60000109.8D171S169-D171 PolarHBondContact O-N 3.47Å
170V97.8Very high97.8Very high3 Ų354.5 Ų54.52%0.01828%0.284CS..SBendtrans-61.2123.4166.9175.30000108.7W135 F140 A143 W165 T174W135-V170 HydrophobicContact CH2-CG1 3.7Å; W135-V170 HydrophobicContact CZ3-CG1 4.04Å; F140-V170 HydrophobicContact CD2-CG1 4.08Å; F140-V170 HydrophobicContact CE2-CB 4.11Å; F140-V170 HydrophobicContact CE2-CG1 4.1Å; F140-V170 VanDerWaalsContact CE2-O 3.3Å; F140-V170 WeakPolarHBondContact CE2-O 3.45Å; A143-V170 HydrophobicContact CB-CG1 4.19Å; A143-V170 HydrophobicContact CB-CG2 4.27Å; W165-V170 HydrophobicContact CD2-CG2 4.41Å; W165-V170 HydrophobicContact CG-CG2 4.37Å; W165-V170 HydrophobicContact CZ2-CG2 4.36Å; V170-T174 HydrophobicContact CG1-CG2 4.22Å
171D97.1Very high97.9Very high83 Ų8357.1 Ų57.144%0.44429%0.293SS..SBendtrans-158.2-170.7-178.4-161.80.9000110.5S169 P173 T174 L175S169-D171 PolarHBondContact O-N 3.47Å; D171-P173 VanDerWaalsContact C-CD 3.44Å; D171-P173 VanDerWaalsContact C-N 3.33Å; D171-T174 PolarHBondContact N-OG1 2.99Å; D171-T174 WeakPolarHBondContact O-CA 3.48Å; D171-T174 VanDerWaalsContact O-CB 3.25Å; D171-T174 WeakPolarHBondContact O-CB 3.47Å; D171-T174 PolarHBondContact O-N 3.33Å; D171-L175 PolarHBondContact O-N 3.3Å
172S97.2Very high97.9Very high25 Ų2558.2 Ų58.218%0.17530%0.298CS..Hα-helixtrans-43.5-47.3178.8-82.30000114.1D58 A59 T174 L175 T176D58-S172 PolarHBondContact OD2-OG 3.25Å; A59-S172 WeakPolarHBondContact CB-OG 3.29Å; A59-S172 PolarHBondContact N-OG 2.92Å; S172-T174 PolarHBondContact O-N 3.4Å; S172-L175 PolarHBondContact O-N 2.85Å; S172-L175 VanDerWaalsContact O-N 3.08Å; S172-T176 PolarHBondContact O-N 3.45Å; S172-T176 PolarHBondContact O-OG1 2.88Å; S172-T176 VanDerWaalsContact O-OG1 3.1Å
173P98.1Very high97.9Very high57 Ų5758.2 Ų58.237%0.3730%0.296SS..Hα-helixtrans-58.4-34.9177.2-24.935.2000113.6D171 R177D171-P173 VanDerWaalsContact C-CD 3.44Å; D171-P173 VanDerWaalsContact C-N 3.33Å; P173-R177 WeakPolarHBondContact O-CG 3.42Å; P173-R177 PolarHBondContact O-N 3.48Å; P173-R177 PolarHBondContact O-NE 2.84Å
174T98.1Very high97.9Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-71.5-40.4175.7-44.30000111.4W165 V170 D171 S172 R177 F178W165-T174 WeakPolarHBondContact CA-OG1 3.19Å; W165-T174 PolarHBondContact O-N 3.44Å; W165-T174 PolarHBondContact O-OG1 2.97Å; V170-T174 HydrophobicContact CG1-CG2 4.22Å; D171-T174 PolarHBondContact N-OG1 2.99Å; D171-T174 WeakPolarHBondContact O-CA 3.48Å; D171-T174 VanDerWaalsContact O-CB 3.25Å; D171-T174 WeakPolarHBondContact O-CB 3.47Å; D171-T174 PolarHBondContact O-N 3.33Å; S172-T174 PolarHBondContact O-N 3.4Å; T174-R177 WeakPolarHBondContact O-CG 2.84Å; T174-F178 HydrophobicContact CG2-CD1 4.34Å; T174-F178 HydrophobicContact CG2-CD2 4.44Å; T174-F178 HydrophobicContact CG2-CE1 4.06Å; T174-F178 HydrophobicContact CG2-CE2 4.19Å; T174-F178 HydrophobicContact CG2-CZ 3.98Å; T174-F178 WeakPolarHBondContact O-CB 3.48Å; T174-F178 WeakPolarHBondContact O-CG 3.43Å; T174-F178 PolarHBondContact O-N 3.23Å
175L98.1Very high98Very high0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-66.5-45.5-180-174.555.4000111.9A62 V132 L133 W135 D171 S172 R177 F178 F179A62-L175 HydrophobicContact CB-CD2 3.54Å; V132-L175 HydrophobicContact CG1-CD1 4.38Å; L133-L175 HydrophobicContact CD2-CD1 4Å; W135-L175 HydrophobicContact CD2-CD2 3.84Å; W135-L175 HydrophobicContact CE3-CB 4.26Å; W135-L175 HydrophobicContact CE3-CD1 3.65Å; W135-L175 HydrophobicContact CE3-CD2 3.67Å; W135-L175 HydrophobicContact CE3-CG 4.07Å; W135-L175 HydrophobicContact CG-CD2 4.27Å; W135-L175 HydrophobicContact CH2-CB 4.15Å; W135-L175 HydrophobicContact CZ3-CB 3.8Å; W135-L175 HydrophobicContact CZ3-CD1 3.86Å; W135-L175 HydrophobicContact CZ3-CD2 4.05Å; W135-L175 HydrophobicContact CZ3-CG 4.12Å; D171-L175 PolarHBondContact O-N 3.3Å; S172-L175 PolarHBondContact O-N 2.85Å; S172-L175 VanDerWaalsContact O-N 3.08Å; L175-R177 PolarHBondContact O-N 3.5Å; L175-F178 PolarHBondContact O-N 3.06Å; L175-F179 PolarHBondContact O-N 3.22Å
176T98.4Very high98Very high63 Ų6352.6 Ų52.639%0.38728%0.283SS..Hα-helixtrans-60-46.8179.4-51.70000111.9P57 S172 F179 T180P57-T176 PolarHBondContact O-OG1 3.1Å; S172-T176 PolarHBondContact O-N 3.45Å; S172-T176 PolarHBondContact O-OG1 2.88Å; S172-T176 VanDerWaalsContact O-OG1 3.1Å; T176-F179 WeakPolarHBondContact O-CB 3.21Å; T176-F179 PolarHBondContact O-N 3.05Å; T176-T180 PolarHBondContact O-N 3.48Å; T176-T180 PolarHBondContact O-OG1 3.29Å; T176-T180 VanDerWaalsContact O-OG1 3.1Å
177R98.2Very high98.1Very high67 Ų6755.4 Ų55.425%0.25328%0.284SS..Hα-helixtrans-66.9-38.6177.566.6-174.368.5-155.7-11.8112.4W163 I164 P173 T174 L175 F179 T180 F181W163-R177 PolarHBondContact O-NH1 2.93Å; I164-R177 WeakPolarHBondContact O-CD 3.41Å; I164-R177 PolarHBondContact O-NE 3.48Å; I164-R177 PolarHBondContact O-NH1 3.34Å; P173-R177 WeakPolarHBondContact O-CG 3.42Å; P173-R177 PolarHBondContact O-N 3.48Å; P173-R177 PolarHBondContact O-NE 2.84Å; T174-R177 WeakPolarHBondContact O-CG 2.84Å; L175-R177 PolarHBondContact O-N 3.5Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 2.88Å; R177-T180 WeakPolarHBondContact O-CB 3.35Å; R177-T180 PolarHBondContact O-N 3.28Å; R177-T180 VanDerWaalsContact O-N 3.17Å; R177-F181 HydrophobicContact CB-CD2 4.38Å; R177-F181 HydrophobicContact CB-CE2 4.32Å; R177-F181 WeakPolarHBondContact O-CD2 3.21Å; R177-F181 PolarHBondContact O-N 2.84Å
178F98.6Very high98.2Very high12 Ų1257.7 Ų57.75%0.05329%0.288CS..Hα-helixtrans-65.8-37.3178.6-8315.4000110.5F128 M129 V132 T147 I164 T174 L175 F181 H182F128-F178 AromaticContact CE1-CE2 3.91Å; F128-F178 HydrophobicContact CE1-CE2 3.91Å; F128-F178 HydrophobicContact CE1-CZ 4.22Å; F128-F178 HydrophobicContact CZ-CE2 4.49Å; M129-F178 HydrophobicContact CB-CB 4.26Å; M129-F178 HydrophobicContact CB-CD2 4.4Å; M129-F178 HydrophobicContact CB-CG 4.35Å; M129-F178 HydrophobicContact CG-CB 4.28Å; M129-F178 HydrophobicContact CG-CD1 4.15Å; M129-F178 HydrophobicContact CG-CD2 3.99Å; M129-F178 HydrophobicContact CG-CE2 4.35Å; M129-F178 HydrophobicContact CG-CG 3.89Å; M129-F178 HydrophobicContact SD-CD1 4.11Å; M129-F178 HydrophobicContact SD-CG 4.33Å; V132-F178 HydrophobicContact CB-CD2 3.95Å; V132-F178 HydrophobicContact CG1-CD2 3.99Å; V132-F178 HydrophobicContact CG2-CD2 3.89Å; V132-F178 HydrophobicContact CG2-CE2 4.06Å; T147-F178 HydrophobicContact CG2-CZ 4.03Å; I164-F178 HydrophobicContact CG2-CE1 4.22Å; I164-F178 HydrophobicContact CG2-CZ 4.4Å; T174-F178 HydrophobicContact CG2-CD1 4.34Å; T174-F178 HydrophobicContact CG2-CD2 4.44Å; T174-F178 HydrophobicContact CG2-CE1 4.06Å; T174-F178 HydrophobicContact CG2-CE2 4.19Å; T174-F178 HydrophobicContact CG2-CZ 3.98Å; T174-F178 WeakPolarHBondContact O-CB 3.48Å; T174-F178 WeakPolarHBondContact O-CG 3.43Å; T174-F178 PolarHBondContact O-N 3.23Å; L175-F178 PolarHBondContact O-N 3.06Å; F178-F181 PolarHBondContact O-N 3.14Å; F178-H182 WeakPolarHBondContact O-CB 3.49Å; F178-H182 PolarHBondContact O-N 3.44Å
179F98.8Very high98.3Very high42 Ų4248.6 Ų48.618%0.18425%0.253CS..Hα-helixtrans-59.6-48.5169.4175-109.2000111.8A52 Y55 P57 L133 L175 T176 R177 F181 H182 F183A52-F179 HydrophobicContact CB-CE2 4.23Å; A52-F179 HydrophobicContact CB-CZ 4.12Å; Y55-F179 AromaticContact CD1-CD2 3.66Å; Y55-F179 HydrophobicContact CD1-CD2 3.66Å; Y55-F179 AromaticContact CD1-CE2 3.65Å; Y55-F179 HydrophobicContact CD1-CE2 3.65Å; Y55-F179 HydrophobicContact CD1-CG 4.35Å; Y55-F179 HydrophobicContact CD1-CZ 4.33Å; Y55-F179 HydrophobicContact CE1-CB 4.33Å; Y55-F179 AromaticContact CE1-CD2 3.58Å; Y55-F179 HydrophobicContact CE1-CD2 3.58Å; Y55-F179 HydrophobicContact CE1-CE2 4.09Å; Y55-F179 HydrophobicContact CE1-CG 4.02Å; P57-F179 HydrophobicContact CB-CB 3.8Å; P57-F179 HydrophobicContact CB-CD1 3.94Å; P57-F179 HydrophobicContact CB-CG 3.9Å; P57-F179 HydrophobicContact CG-CD1 3.91Å; P57-F179 HydrophobicContact CG-CE1 4.4Å; P57-F179 HydrophobicContact CG-CG 4.37Å; L133-F179 HydrophobicContact CD1-CD2 4.04Å; L133-F179 HydrophobicContact CD2-CB 3.9Å; L175-F179 PolarHBondContact O-N 3.22Å; T176-F179 WeakPolarHBondContact O-CB 3.21Å; T176-F179 PolarHBondContact O-N 3.05Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 2.88Å; F179-F181 PolarHBondContact O-N 3.23Å; F179-H182 PolarHBondContact O-N 2.95Å; F179-F183 HydrophobicContact CZ-CD2 4.36Å; F179-F183 WeakPolarHBondContact O-CB 3.37Å; F179-F183 PolarHBondContact O-N 3.05Å
180T98.6Very high98.4Very high82 Ų8247.5 Ų47.550%0.50325%0.248SC..Hα-helixtrans-58.7-46.9177.9-53.30000112.3T176 R177 F183 I184T176-T180 PolarHBondContact O-N 3.48Å; T176-T180 PolarHBondContact O-OG1 3.29Å; T176-T180 VanDerWaalsContact O-OG1 3.1Å; R177-T180 WeakPolarHBondContact O-CB 3.35Å; R177-T180 PolarHBondContact O-N 3.28Å; R177-T180 VanDerWaalsContact O-N 3.17Å; T180-F183 PolarHBondContact O-N 3.36Å; T180-I184 WeakPolarHBondContact O-CG2 3.26Å; T180-I184 PolarHBondContact O-N 3.38Å; T180-I184 VanDerWaalsContact O-N 3.12Å
181F98.7Very high98.5Very high109 Ų10950.4 Ų50.448%0.47827%0.272SS..Hα-helixtrans-68-41.9178.7-74.9-58.4000112.6M129 R177 F178 F179 F183 I184 L185M129-F181 HydrophobicContact CE-CB 3.91Å; M129-F181 HydrophobicContact SD-CB 3.46Å; M129-F181 WeakPolarHBondContact SD-CB 3.34Å; M129-F181 HydrophobicContact SD-CD2 4.5Å; M129-F181 HydrophobicContact SD-CG 4.32Å; R177-F181 HydrophobicContact CB-CD2 4.38Å; R177-F181 HydrophobicContact CB-CE2 4.32Å; R177-F181 WeakPolarHBondContact O-CD2 3.21Å; R177-F181 PolarHBondContact O-N 2.84Å; F178-F181 PolarHBondContact O-N 3.14Å; F179-F181 PolarHBondContact O-N 3.23Å; F181-F183 PolarHBondContact O-N 2.88Å; F181-I184 WeakPolarHBondContact O-CG2 3.38Å; F181-I184 PolarHBondContact O-N 3.23Å; F181-L185 WeakPolarHBondContact O-CB 3.43Å; F181-L185 VanDerWaalsContact O-CG 3.3Å; F181-L185 WeakPolarHBondContact O-CG 3.11Å; F181-L185 PolarHBondContact O-N 3.05Å
182H98.8Very high98.5Very high26 Ų2648.1 Ų48.112%0.1226%0.26CS..Hα-helixtrans-61.2-34.7174.7179.872.2000111.9H83 T126 M129 G130 L133 F178 F179 P186H83-H182 AromaticContact NE2-NE2 3.96Å; T126-H182 PolarHBondContact O-CE1 3.08Å; T126-H182 PolarHBondContact O-ND1 2.91Å; M129-H182 HydrophobicContact CB-CB 4.1Å; G130-H182 WeakPolarHBondContact CA-CE1 3.28Å; G130-H182 VanDerWaalsContact CA-ND1 3.26Å; G130-H182 WeakPolarHBondContact CA-ND1 3.35Å; G130-H182 PolarHBondContact N-ND1 2.78Å; L133-H182 HydrophobicContact CD1-CB 4.3Å; F178-H182 WeakPolarHBondContact O-CB 3.49Å; F178-H182 PolarHBondContact O-N 3.44Å; F179-H182 PolarHBondContact O-N 2.95Å; H182-P186 WeakPolarHBondContact O-CD 3.35Å; H182-P186 WeakPolarHBondContact O-CG 3.25Å
183F98.8Very high98.6Very high80 Ų8048.3 Ų48.335%0.35126%0.263SS..Hα-helixtrans-72-42.9177.8-167-84.4000112.6L49 A52 F179 T180 F181 F187L49-F183 HydrophobicContact CD1-CE2 4.22Å; L49-F183 HydrophobicContact CD1-CZ 3.99Å; A52-F183 HydrophobicContact CB-CD2 4.25Å; A52-F183 HydrophobicContact CB-CE2 3.95Å; F179-F183 HydrophobicContact CZ-CD2 4.36Å; F179-F183 WeakPolarHBondContact O-CB 3.37Å; F179-F183 PolarHBondContact O-N 3.05Å; T180-F183 PolarHBondContact O-N 3.36Å; F181-F183 PolarHBondContact O-N 2.88Å; F183-F187 HydrophobicContact CD1-CE2 4.11Å; F183-F187 AromaticContact CE1-CE2 3.87Å; F183-F187 HydrophobicContact CE1-CE2 3.87Å; F183-F187 HydrophobicContact CE1-CZ 4.48Å; F183-F187 VanDerWaalsContact O-CD2 3.28Å; F183-F187 WeakPolarHBondContact O-CD2 3.26Å; F183-F187 VanDerWaalsContact O-CE2 3.26Å; F183-F187 WeakPolarHBondContact O-CE2 3.15Å
184I98.8Very high98.6Very high80 Ų8048.5 Ų48.541%0.4127%0.27SS..Hα-helixtrans-79-35-175.6-169.460.7000113.5T180 F181 F187 I188T180-I184 WeakPolarHBondContact O-CG2 3.26Å; T180-I184 PolarHBondContact O-N 3.38Å; T180-I184 VanDerWaalsContact O-N 3.12Å; F181-I184 WeakPolarHBondContact O-CG2 3.38Å; F181-I184 PolarHBondContact O-N 3.23Å; I184-F187 PolarHBondContact O-N 2.88Å; I184-F187 VanDerWaalsContact O-N 3.13Å; I184-I188 HydrophobicContact CG1-CD1 4.24Å; I184-I188 PolarHBondContact O-N 3.48Å
185L98.7Very high98.6Very high30 Ų3051.5 Ų51.516%0.15729%0.285CS..Hα-helixtrans-60.3-39.4-173.8-81.6170000115A125 T126 M129 F181 F187 I188 I189A125-L185 HydrophobicContact CB-CD1 4.3Å; T126-L185 HydrophobicContact CG2-CB 4.49Å; T126-L185 VanDerWaalsContact OG1-CB 3.23Å; T126-L185 WeakPolarHBondContact OG1-CB 3.2Å; M129-L185 HydrophobicContact CE-CD1 3.23Å; F181-L185 WeakPolarHBondContact O-CB 3.43Å; F181-L185 VanDerWaalsContact O-CG 3.3Å; F181-L185 WeakPolarHBondContact O-CG 3.11Å; F181-L185 PolarHBondContact O-N 3.05Å; L185-F187 PolarHBondContact O-N 2.97Å; L185-I188 HydrophobicContact CD2-CD1 4.2Å; L185-I188 CarbonylContact O-C 2.92Å; L185-I188 WeakPolarHBondContact O-CA 3.26Å; L185-I188 WeakPolarHBondContact O-CB 3.38Å; L185-I188 PolarHBondContact O-N 3.22Å; L185-I189 WeakPolarHBondContact O-CG1 3.41Å; L185-I189 PolarHBondContact O-N 3.31Å
186P98.8Very high98.6Very high17 Ų1752.8 Ų52.811%0.1129%0.291CS..Hα-helixtrans-54.4-34.4174.3-29.134.8000113.9L41 I45 T126 H182 I189 A190L41-P186 HydrophobicContact CD1-CB 4.49Å; I45-P186 HydrophobicContact CD1-CB 4.21Å; I45-P186 HydrophobicContact CG1-CB 3.68Å; T126-P186 HydrophobicContact CG2-CG 3.88Å; H182-P186 WeakPolarHBondContact O-CD 3.35Å; H182-P186 WeakPolarHBondContact O-CG 3.25Å; P186-I189 PolarHBondContact O-N 2.84Å; P186-A190 PolarHBondContact O-N 3.4Å
187F98.7Very high98.6Very high96 Ų9653.3 Ų53.342%0.42129%0.291SS..Hα-helixtrans-74.3-35.7176.2-58.7-76.1000112.1I45 F183 I184 L185 I189 A190 A191I45-F187 HydrophobicContact CG2-CE1 4.01Å; I45-F187 HydrophobicContact CG2-CZ 4.19Å; F183-F187 HydrophobicContact CD1-CE2 4.11Å; F183-F187 AromaticContact CE1-CE2 3.87Å; F183-F187 HydrophobicContact CE1-CE2 3.87Å; F183-F187 HydrophobicContact CE1-CZ 4.48Å; F183-F187 VanDerWaalsContact O-CD2 3.28Å; F183-F187 WeakPolarHBondContact O-CD2 3.26Å; F183-F187 VanDerWaalsContact O-CE2 3.26Å; F183-F187 WeakPolarHBondContact O-CE2 3.15Å; I184-F187 PolarHBondContact O-N 2.88Å; I184-F187 VanDerWaalsContact O-N 3.13Å; L185-F187 PolarHBondContact O-N 2.97Å; F187-I189 VanDerWaalsContact C-N 3.34Å; F187-A190 WeakPolarHBondContact O-CB 3.16Å; F187-A190 PolarHBondContact O-N 2.95Å; F187-A191 PolarHBondContact O-N 3.15Å; F187-A191 VanDerWaalsContact O-N 3.09Å
188I98.8Very high98.6Very high78 Ų7854.7 Ų54.740%0.430%0.303SS..Hα-helixtrans-64.3-42.3171.4-62.9171.4000110I184 L185 A190 A191 L192I184-I188 HydrophobicContact CG1-CD1 4.24Å; I184-I188 PolarHBondContact O-N 3.48Å; L185-I188 HydrophobicContact CD2-CD1 4.2Å; L185-I188 CarbonylContact O-C 2.92Å; L185-I188 WeakPolarHBondContact O-CA 3.26Å; L185-I188 WeakPolarHBondContact O-CB 3.38Å; L185-I188 PolarHBondContact O-N 3.22Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.27Å; I188-A191 PolarHBondContact O-N 3.14Å; I188-L192 HydrophobicContact CG2-CD1 4.07Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 WeakPolarHBondContact O-CG 3.39Å; I188-L192 PolarHBondContact O-N 3.18Å
189I98.9Very high98.6Very high7 Ų757.5 Ų57.54%0.03632%0.315CS..Hα-helixtrans-59.8-41.5174.2-68.4167000110.4L41 L119 A122 T126 L185 P186 F187 A191 L192 A193L41-I189 HydrophobicContact CD1-CB 4.34Å; L41-I189 HydrophobicContact CD1-CG2 3.87Å; L41-I189 HydrophobicContact CD2-CG2 3.98Å; L119-I189 HydrophobicContact CD2-CG2 3.82Å; A122-I189 HydrophobicContact CB-CD1 4.14Å; A122-I189 HydrophobicContact CB-CG1 3.71Å; T126-I189 WeakPolarHBondContact OG1-CD1 3.43Å; L185-I189 WeakPolarHBondContact O-CG1 3.41Å; L185-I189 PolarHBondContact O-N 3.31Å; P186-I189 PolarHBondContact O-N 2.84Å; F187-I189 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 3.39Å; I189-L192 PolarHBondContact O-N 3.27Å; I189-A193 VanDerWaalsContact O-CB 3.3Å; I189-A193 WeakPolarHBondContact O-CB 3.44Å; I189-A193 PolarHBondContact O-N 2.97Å
190A98.8Very high98.5Very high40 Ų4057.1 Ų57.133%0.33132%0.315SS..Hα-helixtrans-61.3-42.3175.700000112.4L41 P186 F187 I188 A193 A194L41-A190 HydrophobicContact CD2-CB 3.95Å; P186-A190 PolarHBondContact O-N 3.4Å; F187-A190 WeakPolarHBondContact O-CB 3.16Å; F187-A190 PolarHBondContact O-N 2.95Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.27Å; A190-A193 PolarHBondContact O-N 3.11Å; A190-A194 PolarHBondContact O-N 3.08Å
191A98.8Very high98.4Very high65 Ų6556.1 Ų56.154%0.53731%0.305SS..Hα-helixtrans-65.3-43.4175.100000112.2F187 I188 I189 A193 A194 L195F187-A191 PolarHBondContact O-N 3.15Å; F187-A191 VanDerWaalsContact O-N 3.09Å; I188-A191 PolarHBondContact O-N 3.14Å; I189-A191 PolarHBondContact O-N 3.39Å; A191-A193 VanDerWaalsContact C-N 3.32Å; A191-A193 PolarHBondContact O-N 2.99Å; A191-A194 PolarHBondContact O-N 3.01Å; A191-L195 PolarHBondContact O-N 3.39Å
192L98.8Very high98.3Very high34 Ų3458.1 Ų58.118%0.17832%0.316CS..Hα-helixtrans-64.1-35.2175-71.9171.1000112.1I118 L119 I188 I189 L195 H196I118-L192 HydrophobicContact CG2-CD1 3.86Å; I118-L192 HydrophobicContact CG2-CD2 4.34Å; L119-L192 HydrophobicContact CD2-CB 3.55Å; L119-L192 HydrophobicContact CG-CB 4.07Å; I188-L192 HydrophobicContact CG2-CD1 4.07Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 WeakPolarHBondContact O-CG 3.39Å; I188-L192 PolarHBondContact O-N 3.18Å; I189-L192 PolarHBondContact O-N 3.27Å; L192-L195 PolarHBondContact O-N 3.05Å; L192-H196 WeakPolarHBondContact O-CB 3.27Å; L192-H196 PolarHBondContact O-N 3.25Å
193A98.7Very high98Very high29 Ų2960.3 Ų60.324%0.2433%0.331CS..Hα-helixtrans-67.9-3817600000111.6L119 I189 A190 A191 L195 H196 L197L119-A193 HydrophobicContact CD2-CB 4.39Å; I189-A193 VanDerWaalsContact O-CB 3.3Å; I189-A193 WeakPolarHBondContact O-CB 3.44Å; I189-A193 PolarHBondContact O-N 2.97Å; A190-A193 PolarHBondContact O-N 3.11Å; A191-A193 VanDerWaalsContact C-N 3.32Å; A191-A193 PolarHBondContact O-N 2.99Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-H196 WeakPolarHBondContact O-CB 3.38Å; A193-H196 PolarHBondContact O-N 3.49Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.39Å
194A98.2Very high97.9Very high62 Ų6257 Ų5751%0.51232%0.319SS..Hα-helixtrans-62.6-42.1171.400000111.6A190 A191 L197 L198A190-A194 PolarHBondContact O-N 3.08Å; A191-A194 PolarHBondContact O-N 3.01Å; A194-L197 PolarHBondContact O-N 2.96Å; A194-L198 PolarHBondContact O-N 3.32Å
195L98.4Very high97.8Very high62 Ų6254.5 Ų54.533%0.32531%0.309SS..Hα-helixtrans-64.7-39.4174.3-177.261.4000112.3I115 A191 L192 A193 L197 L198 F199I115-L195 HydrophobicContact CD1-CD2 3.79Å; I115-L195 HydrophobicContact CD1-CG 4.38Å; I115-L195 HydrophobicContact CG1-CD2 4.39Å; I115-L195 HydrophobicContact CG1-CG 4.45Å; A191-L195 PolarHBondContact O-N 3.39Å; L192-L195 PolarHBondContact O-N 3.05Å; A193-L195 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.47Å; L195-L198 HydrophobicContact CD1-CD2 4.17Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 PolarHBondContact O-N 3.27Å; L195-F199 HydrophobicContact CD1-CD2 4.07Å; L195-F199 HydrophobicContact CD1-CE2 3.58Å; L195-F199 HydrophobicContact CD1-CZ 4.26Å; L195-F199 HydrophobicContact CD2-CE2 4.33Å; L195-F199 HydrophobicContact CG-CD2 4.1Å; L195-F199 HydrophobicContact CG-CE2 3.79Å; L195-F199 WeakPolarHBondContact O-CD2 3.39Å; L195-F199 PolarHBondContact O-N 2.94Å; L195-F199 VanDerWaalsContact O-N 3.14Å
196H98.6Very high97.8Very high27 Ų2753.4 Ų53.413%0.12530%0.303CS..Hα-helixtrans-59.7-45.7175.3-174.582.5000111.6T112 I115 L119 L192 A193 L200T112-H196 WeakPolarHBondContact CG2-CE1 3.16Å; T112-H196 PolarHBondContact O-CE1 3.21Å; T112-H196 PolarHBondContact O-ND1 3.18Å; I115-H196 HydrophobicContact CB-CB 4.47Å; I115-H196 HydrophobicContact CG2-CB 3.68Å; L119-H196 HydrophobicContact CD1-CB 3.8Å; L192-H196 WeakPolarHBondContact O-CB 3.27Å; L192-H196 PolarHBondContact O-N 3.25Å; A193-H196 WeakPolarHBondContact O-CB 3.38Å; A193-H196 PolarHBondContact O-N 3.49Å; H196-L200 WeakPolarHBondContact O-CB 3.39Å; H196-L200 PolarHBondContact O-N 3.47Å
197L98Very high97.7Very high75 Ų7552.8 Ų52.839%0.39330%0.298SS..Hα-helixtrans-68.1-34.9176.5-70.1174.9000112.3A193 A194 L195 L200 H201A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.39Å; A194-L197 PolarHBondContact O-N 2.96Å; L195-L197 PolarHBondContact O-N 3.47Å; L197-L200 HydrophobicContact CD2-CD2 4.12Å; L197-L200 WeakPolarHBondContact O-CB 3.4Å; L197-L200 PolarHBondContact O-N 3.46Å; L197-H201 WeakPolarHBondContact O-CB 3.48Å; L197-H201 PolarHBondContact O-CD2 3.02Å; L197-H201 VanDerWaalsContact O-CG 3.22Å; L197-H201 PolarHBondContact O-N 3.46Å
198L97.4Very high97.7Very high95 Ų9548.9 Ų48.950%0.49728%0.283SS..Hα-helixtrans-57.7-53.9174.5-177.470.5000110.8A194 L195 L200 H201 E202A194-L198 PolarHBondContact O-N 3.32Å; L195-L198 HydrophobicContact CD1-CD2 4.17Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 PolarHBondContact O-N 3.27Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 2.78Å; L198-H201 PolarHBondContact O-N 2.78Å; L198-E202 PolarHBondContact O-N 3.4Å
199F98.2Very high97.7Very high71 Ų7147.7 Ų47.731%0.31128%0.277SS..Hα-helixtrans-63.3-34.3177.2-73.5-60.2000113E111 T112 I115 L195 H201 E202E111-F199 HydrophobicContact CB-CB 4.05Å; E111-F199 HydrophobicContact CB-CD1 3.63Å; E111-F199 HydrophobicContact CB-CD2 4.01Å; E111-F199 HydrophobicContact CB-CE1 4Å; E111-F199 HydrophobicContact CB-CE2 4.33Å; E111-F199 HydrophobicContact CB-CG 3.64Å; E111-F199 HydrophobicContact CB-CZ 4.33Å; E111-F199 HydrophobicContact CG-CD1 4.04Å; E111-F199 HydrophobicContact CG-CE1 4.03Å; E111-F199 HydrophobicContact CG-CZ 4.49Å; T112-F199 WeakPolarHBondContact OG1-CB 3.46Å; I115-F199 HydrophobicContact CG1-CD2 4.06Å; I115-F199 HydrophobicContact CG1-CE2 4.13Å; L195-F199 HydrophobicContact CD1-CD2 4.07Å; L195-F199 HydrophobicContact CD1-CE2 3.58Å; L195-F199 HydrophobicContact CD1-CZ 4.26Å; L195-F199 HydrophobicContact CD2-CE2 4.33Å; L195-F199 HydrophobicContact CG-CD2 4.1Å; L195-F199 HydrophobicContact CG-CE2 3.79Å; L195-F199 WeakPolarHBondContact O-CD2 3.39Å; L195-F199 PolarHBondContact O-N 2.94Å; L195-F199 VanDerWaalsContact O-N 3.14Å; F199-H201 VanDerWaalsContact C-N 3.3Å; F199-H201 PolarHBondContact O-N 3.4Å; F199-E202 PolarHBondContact O-N 3.08Å
200L97.6Very high97.6Very high35 Ų3548 Ų4818%0.18328%0.281CS..Hα-helixtrans-63-38172.8178.664.7000111.7T112 H196 L197 L198 E202 T203 G204T112-L200 HydrophobicContact CG2-CB 4.2Å; T112-L200 PolarHBondContact OG1-N 3.34Å; H196-L200 WeakPolarHBondContact O-CB 3.39Å; H196-L200 PolarHBondContact O-N 3.47Å; L197-L200 HydrophobicContact CD2-CD2 4.12Å; L197-L200 WeakPolarHBondContact O-CB 3.4Å; L197-L200 PolarHBondContact O-N 3.46Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 2.78Å; L200-E202 VanDerWaalsContact C-N 3.34Å; L200-T203 PolarHBondContact O-N 2.6Å; L200-T203 PolarHBondContact O-OG1 3.07Å; L200-G204 VanDerWaalsContact O-CA 3.29Å; L200-G204 WeakPolarHBondContact O-CA 3.44Å; L200-G204 PolarHBondContact O-N 3.45Å
201H96.4Very high97.5Very high61 Ų6151.1 Ų51.128%0.28229%0.292SS..Hα-helixtrans-73.8-23.1-178.6-70.4177.8000113.4L197 L198 F199 T203L197-H201 WeakPolarHBondContact O-CB 3.48Å; L197-H201 PolarHBondContact O-CD2 3.02Å; L197-H201 VanDerWaalsContact O-CG 3.22Å; L197-H201 PolarHBondContact O-N 3.46Å; L198-H201 PolarHBondContact O-N 2.78Å; F199-H201 VanDerWaalsContact C-N 3.3Å; F199-H201 PolarHBondContact O-N 3.4Å; H201-T203 VanDerWaalsContact C-N 3.31Å; H201-T203 PolarHBondContact O-N 3.03Å
202E95.8Very high97.4Very high151 Ų15152.8 Ų52.871%0.70630%0.295SS*.Hα-helixtrans-62.2-38.1172.4-67.2-60.3134.700112.2L198 F199 L200L198-E202 PolarHBondContact O-N 3.4Å; F199-E202 PolarHBondContact O-N 3.08Å; L200-E202 VanDerWaalsContact C-N 3.34Å
203T94.1Very high97.3Very high72 Ų7251.9 Ų51.944%0.44229%0.292SS..Hα-helixtrans-101-28.6-178.354.40000113.1Y109 L200 H201Y109-T203 HydrophobicContact CD1-CG2 4.18Å; Y109-T203 HydrophobicContact CE1-CG2 4.44Å; L200-T203 PolarHBondContact O-N 2.6Å; L200-T203 PolarHBondContact O-OG1 3.07Å; H201-T203 VanDerWaalsContact C-N 3.31Å; H201-T203 PolarHBondContact O-N 3.03Å
204G95.3Very high97.1Very high9 Ų957.3 Ų57.39%0.09331%0.312CS..  trans79.8169.1-166.500000112.6L200L200-G204 VanDerWaalsContact O-CA 3.29Å; L200-G204 WeakPolarHBondContact O-CA 3.44Å; L200-G204 PolarHBondContact O-N 3.45Å
205S97Very high97Very high29 Ų2960 Ų6020%0.20333%0.327CS..  trans-66.1139.2178.4-73.30000112.6P24P24-S205 WeakPolarHBondContact CG-O 3.45Å
206N97.9Very high97Very high6 Ų661 Ų613%0.03233%0.333CS..  trans-64.3173.9159.3-17422.3000110.3I27 W31 Y104 S106 Y109 Q313I27-N206 VanDerWaalsContact CG2-O 3.29Å; I27-N206 WeakPolarHBondContact CG2-O 3.46Å; W31-N206 VanDerWaalsContact CE2-O 3.29Å; W31-N206 HydrophobicContact CZ2-CB 4.32Å; W31-N206 VanDerWaalsContact CZ2-O 3.28Å; W31-N206 WeakPolarHBondContact CZ2-O 3.31Å; W31-N206 PolarHBondContact NE1-O 3.34Å; Y104-N206 PolarHBondContact O-ND2 2.91Å; S106-N206 PolarHBondContact OG-ND2 3.41Å; Y109-N206 HydrophobicContact CE2-CB 3.64Å; N206-Q313 PolarHBondContact ND2-NE2 2.92Å
207N98.6Very high96.9Very high4 Ų462.9 Ų62.92%0.02134%0.34CS..  trans-140.5167.1176.370.485.8000112.8P24 N26 I27 L209 G210 I211P24-N207 HydrophobicContact CB-CB 3.86Å; P24-N207 HydrophobicContact CG-CB 4.18Å; N26-N207 PolarHBondContact ND2-OD1 2.61Å; N26-N207 WeakPolarHBondContact OD1-CB 3.37Å; I27-N207 HydrophobicContact CG2-CB 4.1Å; N207-L209 PolarHBondContact O-N 3.39Å; N207-L209 VanDerWaalsContact O-N 3.12Å; N207-L209 WeakPolarHBondContact OD1-CB 3.3Å; N207-L209 PolarHBondContact OD1-N 2.9Å; N207-L209 VanDerWaalsContact OD1-N 3.11Å; N207-G210 PolarHBondContact O-N 2.98Å; N207-I211 PolarHBondContact ND2-O 2.92Å
208P98.6Very high96.9Very high14 Ų1461.3 Ų61.39%0.09133%0.332CS..THydrogen-bonded Turntrans-56.7-31.5-173.7-30.337.6000115.7N26 W31 Y104 G210 S314 M316N26-P208 VanDerWaalsContact O-CD 3.28Å; N26-P208 WeakPolarHBondContact O-CD 3.34Å; N26-P208 WeakPolarHBondContact O-CG 3.29Å; W31-P208 HydrophobicContact CH2-CG 4.09Å; W31-P208 HydrophobicContact CZ3-CG 3.84Å; Y104-P208 VanDerWaalsContact CD1-CA 3.5Å; Y104-P208 HydrophobicContact CD1-CB 4.22Å; Y104-P208 WeakPolarHBondContact CD1-O 3.29Å; Y104-P208 VanDerWaalsContact CE1-CA 3.48Å; Y104-P208 HydrophobicContact CE1-CB 3.66Å; Y104-P208 HydrophobicContact CE1-CG 4.39Å; P208-G210 VanDerWaalsContact C-N 3.31Å; P208-G210 PolarHBondContact O-N 3.41Å; P208-S314 WeakPolarHBondContact O-CB 3.39Å; P208-S314 PolarHBondContact O-OG 2.84Å; P208-M316 HydrophobicContact CB-SD 4.28Å
209L98.1Very high97Very high54 Ų5459.6 Ų59.628%0.28333%0.326SS..THydrogen-bonded Turntrans-75.7-19.7-178.4-59.3171.2000112.4N26 N207 I211 M316 F317N26-L209 WeakPolarHBondContact ND2-CD1 3.4Å; N207-L209 PolarHBondContact O-N 3.39Å; N207-L209 VanDerWaalsContact O-N 3.12Å; N207-L209 WeakPolarHBondContact OD1-CB 3.3Å; N207-L209 PolarHBondContact OD1-N 2.9Å; N207-L209 VanDerWaalsContact OD1-N 3.11Å; L209-I211 HydrophobicContact CB-CD1 4.26Å; L209-I211 HydrophobicContact CB-CG1 3.84Å; L209-I211 HydrophobicContact CD1-CD1 4.15Å; L209-I211 HydrophobicContact CD1-CG1 4.41Å; L209-I211 PolarHBondContact O-N 2.72Å; L209-M316 HydrophobicContact CD2-CE 3.79Å; L209-M316 HydrophobicContact CD2-SD 3.69Å; L209-F317 HydrophobicContact CD2-CE2 4.03Å; L209-F317 HydrophobicContact CD2-CZ 3.65Å
210G97.3Very high97Very high12 Ų1257.6 Ų57.612%0.12432%0.317CS..  trans64.127.2-176.700000113.9N207 P208N207-G210 PolarHBondContact O-N 2.98Å; P208-G210 VanDerWaalsContact C-N 3.31Å; P208-G210 PolarHBondContact O-N 3.41Å
211I96.8Very high97Very high107 Ų10760.5 Ų60.555%0.54933%0.33SS..SBendtrans-118.1163.9173.563.3176.3000109.7N207 L209 S213N207-I211 PolarHBondContact ND2-O 2.92Å; L209-I211 HydrophobicContact CB-CD1 4.26Å; L209-I211 HydrophobicContact CB-CG1 3.84Å; L209-I211 HydrophobicContact CD1-CD1 4.15Å; L209-I211 HydrophobicContact CD1-CG1 4.41Å; L209-I211 PolarHBondContact O-N 2.72Å; I211-S213 PolarHBondContact O-N 3.41Å
212T96.4Very high97.1Very high99 Ų9960.8 Ų60.861%0.60734%0.336SS*.  trans-59135176.7-177.60000111.8H214T212-H214 PolarHBondContact OG1-CD2 2.95Å; T212-H214 PolarHBondContact OG1-N 2.9Å
213S96.3Very high97.2Very high16 Ų1660 Ų6011%0.11233%0.328CS..  trans-105.412.7178.280.40000112.8P24 I211 S215 D216 K217P24-S213 WeakPolarHBondContact CB-OG 3.39Å; P24-S213 WeakPolarHBondContact CG-OG 3.41Å; I211-S213 PolarHBondContact O-N 3.41Å; S213-S215 PolarHBondContact O-N 3.48Å; S213-D216 CarbonylContact O-C 3.52Å; S213-D216 VanDerWaalsContact O-C 3.26Å; S213-D216 PolarHBondContact O-N 3.19Å; S213-K217 VanDerWaalsContact O-CG 3.28Å; S213-K217 WeakPolarHBondContact O-CG 3.49Å
214H94.8Very high97.4Very high143 Ų14357 Ų5766%0.66231%0.309SS*.THydrogen-bonded Turntrans-59.9-29.5-175.9-71.7-60.6000113.2T212 D216T212-H214 PolarHBondContact OG1-CD2 2.95Å; T212-H214 PolarHBondContact OG1-N 2.9Å; H214-D216 VanDerWaalsContact C-N 3.26Å; H214-D216 PolarHBondContact O-N 3.45Å
215S96.3Very high97.5Very high119 Ų11958.9 Ų58.983%0.83232%0.318SS*.THydrogen-bonded Turntrans-69.7-21.1176.955.60000113.6S213S213-S215 PolarHBondContact O-N 3.48Å
216D97.4Very high97.6Very high83 Ų8363.1 Ų63.144%0.44434%0.337SS..SBendtrans-14685.3-177.2-172.917.4000111.3S25 S213 H214S25-D216 VanDerWaalsContact CB-OD2 3.28Å; S25-D216 WeakPolarHBondContact CB-OD2 3.48Å; S25-D216 PolarHBondContact N-O 2.88Å; S25-D216 PolarHBondContact OG-OD2 3.49Å; S213-D216 CarbonylContact O-C 3.52Å; S213-D216 VanDerWaalsContact O-C 3.26Å; S213-D216 PolarHBondContact O-N 3.19Å; H214-D216 VanDerWaalsContact C-N 3.26Å; H214-D216 PolarHBondContact O-N 3.45Å
217K97.8Very high97.6Very high65 Ų6565.2 Ų65.228%0.28335%0.347SS..EExtended strand (participates in β ladder)trans-115.2139.7170.7-64.8-164.9175.4-170.10110P22 T23 S213P22-K217 HydrophobicContact CB-CB 4.14Å; P22-K217 HydrophobicContact CB-CD 3.63Å; T23-K217 WeakPolarHBondContact O-CA 3.46Å; S213-K217 VanDerWaalsContact O-CG 3.28Å; S213-K217 WeakPolarHBondContact O-CG 3.49Å
218I98.1Very high97.6Very high42 Ų4266.4 Ų66.422%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-110.9158.5171.162.9-178000109.5T23 Y223 Y224T23-I218 PolarHBondContact N-O 2.68Å; T23-I218 PolarHBondContact O-N 2.94Å; I218-Y223 HydrophobicContact CB-CD2 4.06Å; I218-Y223 HydrophobicContact CB-CE2 4.23Å; I218-Y223 HydrophobicContact CD1-CD1 4.3Å; I218-Y223 HydrophobicContact CD1-CD2 3.82Å; I218-Y223 HydrophobicContact CD1-CE2 4.5Å; I218-Y223 HydrophobicContact CD1-CG 3.7Å; I218-Y223 HydrophobicContact CG1-CD2 4.19Å; I218-Y224 HydrophobicContact CD1-CE2 3.71Å; I218-Y224 HydrophobicContact CG1-CD2 4.5Å; I218-Y224 HydrophobicContact CG1-CE2 3.76Å
219T97.5Very high97.6Very high60 Ų6068.2 Ų68.237%0.36837%0.369SS..EExtended strand (participates in β ladder)trans-69145.4172.450.70000110.5H221T219-H221 WeakPolarHBondContact CB-O 3.31Å; T219-H221 PolarHBondContact O-N 3.37Å; T219-H221 PolarHBondContact OG1-O 3.37Å
220F98.3Very high97.7Very high29 Ų2970.4 Ų70.413%0.12738%0.38CS..SBendtrans-60.5-44.7178.8-170.7-82.5000112.2F18 I19 L21 P222 Y223 Y224 T225F18-F220 WeakPolarHBondContact O-CD1 3.48Å; I19-F220 PolarHBondContact O-N 3.17Å; L21-F220 HydrophobicContact CB-CB 3.94Å; L21-F220 HydrophobicContact CD2-CD2 4.24Å; L21-F220 PolarHBondContact O-N 3.38Å; F220-P222 CarbonylContact O-C 3.57Å; F220-Y223 PolarHBondContact O-N 3.46Å; F220-Y224 VanDerWaalsContact CD2-CB 3.48Å; F220-Y224 HydrophobicContact CD2-CD2 4.19Å; F220-Y224 HydrophobicContact CD2-CG 4.14Å; F220-Y224 HydrophobicContact CE2-CG 4.23Å; F220-Y224 WeakPolarHBondContact O-CA 3.01Å; F220-Y224 PolarHBondContact O-N 3.3Å; F220-T225 HydrophobicContact CD1-CG2 3.68Å; F220-T225 HydrophobicContact CE1-CG2 3.68Å; F220-T225 PolarHBondContact O-N 3.31Å
221H98.1Very high97.7Very high96 Ų9670.4 Ų70.444%0.44438%0.38SS..THydrogen-bonded Turntrans-90.2133.5169.2-174.871.1000110.5I19 T219 T225I19-H221 HydrophobicContact CG2-CB 4.13Å; I19-H221 PolarHBondContact O-N 2.79Å; T219-H221 WeakPolarHBondContact CB-O 3.31Å; T219-H221 PolarHBondContact O-N 3.37Å; T219-H221 PolarHBondContact OG1-O 3.37Å; H221-T225 HydrophobicContact CB-CG2 3.97Å; H221-T225 PolarHBondContact ND1-OG1 3.39Å
222P97.9Very high97.8Very high66 Ų6668.5 Ų68.543%0.42937%0.371SS..THydrogen-bonded Turncis-89.1-15.62.635.3-35.4000115.1F220 Y224 T225 I226F220-P222 CarbonylContact O-C 3.57Å; P222-Y224 PolarHBondContact O-N 2.8Å; P222-T225 VanDerWaalsContact C-OG1 3.26Å; P222-T225 WeakPolarHBondContact CA-OG1 3.44Å; P222-T225 PolarHBondContact O-N 2.99Å; P222-T225 PolarHBondContact O-OG1 3.5Å; P222-I226 WeakPolarHBondContact O-CG2 3.16Å; P222-I226 PolarHBondContact O-N 3.32Å
223Y98.5Very high97.9Very high135 Ų13569 Ų6953%0.52937%0.369SS..Hα-helixtrans-58.4-53.7-164.2-62.1-77.1000114.3I218 F220 I226 K227I218-Y223 HydrophobicContact CB-CD2 4.06Å; I218-Y223 HydrophobicContact CB-CE2 4.23Å; I218-Y223 HydrophobicContact CD1-CD1 4.3Å; I218-Y223 HydrophobicContact CD1-CD2 3.82Å; I218-Y223 HydrophobicContact CD1-CE2 4.5Å; I218-Y223 HydrophobicContact CD1-CG 3.7Å; I218-Y223 HydrophobicContact CG1-CD2 4.19Å; F220-Y223 PolarHBondContact O-N 3.46Å; Y223-I226 VanDerWaalsContact O-CG2 3.3Å; Y223-I226 WeakPolarHBondContact O-CG2 3.4Å; Y223-K227 WeakPolarHBondContact O-CB 3.49Å; Y223-K227 PolarHBondContact O-N 3.29Å
224Y98.3Very high98Very high9 Ų973.1 Ų73.14%0.03539%0.39CS..Hα-helixtrans-82.8-25.9-179.7-67.1-60.6000112.3T23 P24 S25 I27 I218 F220 P222 I226 K227 D228T23-Y224 HydrophobicContact CG2-CD2 3.49Å; T23-Y224 VanDerWaalsContact CG2-CD2 3.49Å; T23-Y224 HydrophobicContact CG2-CE2 3.29Å; T23-Y224 HydrophobicContact CG2-CG 4.33Å; P24-Y224 PolarHBondContact O-OH 3.47Å; S25-Y224 VanDerWaalsContact C-OH 3.28Å; S25-Y224 PolarHBondContact O-OH 2.68Å; I27-Y224 HydrophobicContact CD1-CD1 3.78Å; I27-Y224 HydrophobicContact CD1-CD2 4.47Å; I27-Y224 HydrophobicContact CD1-CE1 3.47Å; I27-Y224 VanDerWaalsContact CD1-CE1 3.47Å; I27-Y224 HydrophobicContact CD1-CE2 4.15Å; I27-Y224 HydrophobicContact CD1-CG 4.31Å; I27-Y224 HydrophobicContact CG1-CD1 4.09Å; I27-Y224 HydrophobicContact CG1-CE1 3.25Å; I27-Y224 HydrophobicContact CG1-CE2 4.12Å; I27-Y224 WeakPolarHBondContact CG1-OH 3.39Å; I218-Y224 HydrophobicContact CD1-CE2 3.71Å; I218-Y224 HydrophobicContact CG1-CD2 4.5Å; I218-Y224 HydrophobicContact CG1-CE2 3.76Å; F220-Y224 VanDerWaalsContact CD2-CB 3.48Å; F220-Y224 HydrophobicContact CD2-CD2 4.19Å; F220-Y224 HydrophobicContact CD2-CG 4.14Å; F220-Y224 HydrophobicContact CE2-CG 4.23Å; F220-Y224 WeakPolarHBondContact O-CA 3.01Å; F220-Y224 PolarHBondContact O-N 3.3Å; P222-Y224 PolarHBondContact O-N 2.8Å; Y224-I226 PolarHBondContact O-N 3.06Å; Y224-K227 HydrophobicContact CD1-CD 3.93Å; Y224-K227 HydrophobicContact CE1-CD 4.02Å; Y224-K227 PolarHBondContact O-N 2.94Å; Y224-D228 WeakPolarHBondContact O-CB 3.42Å; Y224-D228 VanDerWaalsContact O-CG 3.3Å; Y224-D228 PolarHBondContact O-N 3.27Å
225T98.3Very high98.2Very high48 Ų4866.7 Ų66.729%0.29436%0.36SS..Hα-helixtrans-60.9-44.3170.552.90000112.7F220 H221 P222 A229F220-T225 HydrophobicContact CD1-CG2 3.68Å; F220-T225 HydrophobicContact CE1-CG2 3.68Å; F220-T225 PolarHBondContact O-N 3.31Å; H221-T225 HydrophobicContact CB-CG2 3.97Å; H221-T225 PolarHBondContact ND1-OG1 3.39Å; P222-T225 VanDerWaalsContact C-OG1 3.26Å; P222-T225 WeakPolarHBondContact CA-OG1 3.44Å; P222-T225 PolarHBondContact O-N 2.99Å; P222-T225 PolarHBondContact O-OG1 3.5Å; T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.42Å
226I98.4Very high98.3Very high118 Ų11864.7 Ų64.761%0.60534%0.339SS*.Hα-helixtrans-73.8-36.9179.3-168.760.9000111.7P222 Y223 Y224 A229 L230P222-I226 WeakPolarHBondContact O-CG2 3.16Å; P222-I226 PolarHBondContact O-N 3.32Å; Y223-I226 VanDerWaalsContact O-CG2 3.3Å; Y223-I226 WeakPolarHBondContact O-CG2 3.4Å; Y224-I226 PolarHBondContact O-N 3.06Å; I226-A229 PolarHBondContact O-N 3.06Å; I226-L230 PolarHBondContact O-N 3.12Å
227K98.6Very high98.4Very high51 Ų5165.9 Ų65.922%0.22235%0.345CS..Hα-helixtrans-64.6-40.8175.8-174.2-178.3164.3-145.40111.6I27 S28 N32 Y223 Y224 L230 G231I27-K227 PolarHBondContact O-NZ 3.34Å; S28-K227 VanDerWaalsContact C-NZ 3.26Å; S28-K227 PolarHBondContact O-NZ 2.85Å; N32-K227 PolarHBondContact ND2-O 3.25Å; N32-K227 WeakPolarHBondContact OD1-CE 3.47Å; N32-K227 PolarHBondContact OD1-NZ 3.46Å; Y223-K227 WeakPolarHBondContact O-CB 3.49Å; Y223-K227 PolarHBondContact O-N 3.29Å; Y224-K227 HydrophobicContact CD1-CD 3.93Å; Y224-K227 HydrophobicContact CE1-CD 4.02Å; Y224-K227 PolarHBondContact O-N 2.94Å; K227-L230 PolarHBondContact O-N 3.11Å; K227-G231 PolarHBondContact O-N 3.35Å
228D98.6Very high98.4Very high29 Ų2965.2 Ų65.216%0.15535%0.348CS..Hα-helixtrans-69.8-37.3176.5-78.511000111.6N32 S35 Y224 L230 G231 L232N32-D228 PolarHBondContact ND2-OD1 3.41Å; S35-D228 WeakPolarHBondContact CB-OD2 3.35Å; S35-D228 PolarHBondContact OG-OD2 2.68Å; Y224-D228 WeakPolarHBondContact O-CB 3.42Å; Y224-D228 VanDerWaalsContact O-CG 3.3Å; Y224-D228 PolarHBondContact O-N 3.27Å; D228-L230 VanDerWaalsContact C-N 3.32Å; D228-L230 PolarHBondContact O-N 2.92Å; D228-G231 PolarHBondContact O-N 2.95Å; D228-L232 WeakPolarHBondContact O-CB 3.34Å; D228-L232 PolarHBondContact O-N 3.2Å
229A98.6Very high98.5Very high51 Ų5163.2 Ų63.242%0.42134%0.338SS..Hα-helixtrans-60.6-40.5172.200000112.3T225 I226 L232 L233T225-A229 WeakPolarHBondContact O-CB 3.4Å; T225-A229 PolarHBondContact O-N 3.42Å; I226-A229 PolarHBondContact O-N 3.06Å; A229-L232 PolarHBondContact O-N 3.03Å; A229-L233 PolarHBondContact O-N 3.08Å
230L98.7Very high98.5Very high101 Ų10163.4 Ų63.453%0.52934%0.336SS..Hα-helixtrans-63.1-45.3172.7176.462.6000111.6I226 K227 D228 L232 L233 L234I226-L230 PolarHBondContact O-N 3.12Å; K227-L230 PolarHBondContact O-N 3.11Å; D228-L230 VanDerWaalsContact C-N 3.32Å; D228-L230 PolarHBondContact O-N 2.92Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 3Å; L230-L233 PolarHBondContact O-N 2.71Å; L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 3.39Å; L230-L234 VanDerWaalsContact O-N 3.08Å
231G98.6Very high98.5Very high12 Ų1265.3 Ų65.312%0.12435%0.35CS..Hα-helixtrans-57.7-44.3175.300000112.1K227 D228 L234 F235K227-G231 PolarHBondContact O-N 3.35Å; D228-G231 PolarHBondContact O-N 2.95Å; G231-L234 PolarHBondContact O-N 3.37Å; G231-F235 WeakPolarHBondContact O-CB 3.41Å; G231-F235 PolarHBondContact O-N 3.23Å
232L98.8Very high98.5Very high66 Ų6661.9 Ų61.935%0.34633%0.334SS..Hα-helixtrans-63.4-40.8176.6-178.962.4000112.1L36 A39 D228 A229 L230 F235 L236L36-L232 HydrophobicContact CD2-CB 4.48Å; A39-L232 HydrophobicContact CB-CD1 3.73Å; D228-L232 WeakPolarHBondContact O-CB 3.34Å; D228-L232 PolarHBondContact O-N 3.2Å; A229-L232 PolarHBondContact O-N 3.03Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 3Å; L232-F235 HydrophobicContact CD1-CD1 4.16Å; L232-F235 WeakPolarHBondContact O-CB 2.95Å; L232-F235 PolarHBondContact O-N 3.43Å; L232-L236 HydrophobicContact CD1-CD1 4.29Å; L232-L236 HydrophobicContact CD1-CG 4.16Å; L232-L236 HydrophobicContact CG-CD1 4.08Å; L232-L236 HydrophobicContact CG-CG 4.37Å; L232-L236 WeakPolarHBondContact O-CB 3.25Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.09Å
233L98.8Very high98.6Very high110 Ų11058.7 Ų58.758%0.57631%0.314SS*.Hα-helixtrans-60.2-46.3176.3178.464.8000111.6A229 L230 L236 L237A229-L233 PolarHBondContact O-N 3.08Å; L230-L233 PolarHBondContact O-N 2.71Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-L237 WeakPolarHBondContact O-CB 3.47Å; L233-L237 PolarHBondContact O-N 3.03Å
234L98.7Very high98.6Very high103 Ų10356.2 Ų56.254%0.53931%0.309SS..Hα-helixtrans-65.6-40.3177.8-65.8176.1000111.9L230 G231 L237 S238L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 3.39Å; L230-L234 VanDerWaalsContact O-N 3.08Å; G231-L234 PolarHBondContact O-N 3.37Å; L234-L237 PolarHBondContact O-N 3.1Å; L234-S238 PolarHBondContact O-N 3.34Å; L234-S238 PolarHBondContact O-OG 3.34Å
235F98.6Very high98.6Very high8 Ų863.4 Ų63.44%0.03534%0.341CS..Hα-helixtrans-57.9-52.7172.8168.5-90.4000111.3L36 C40 M89 G231 L232 L237 S238 L239L36-F235 HydrophobicContact CD1-CB 4.46Å; L36-F235 HydrophobicContact CD2-CB 3.66Å; L36-F235 HydrophobicContact CD2-CD2 4.42Å; L36-F235 HydrophobicContact CD2-CG 4.05Å; C40-F235 WeakPolarHBondContact SG-CE2 3.45Å; C40-F235 WeakPolarHBondContact SG-CZ 3.39Å; M89-F235 HydrophobicContact CB-CE2 3.7Å; M89-F235 HydrophobicContact CB-CZ 4.1Å; M89-F235 HydrophobicContact CE-CD2 3.85Å; M89-F235 HydrophobicContact CE-CE2 3.95Å; M89-F235 HydrophobicContact CG-CE2 4.41Å; G231-F235 WeakPolarHBondContact O-CB 3.41Å; G231-F235 PolarHBondContact O-N 3.23Å; L232-F235 HydrophobicContact CD1-CD1 4.16Å; L232-F235 WeakPolarHBondContact O-CB 2.95Å; L232-F235 PolarHBondContact O-N 3.43Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.39Å; F235-S238 PolarHBondContact O-N 3.42Å; F235-S238 PolarHBondContact O-OG 2.69Å; F235-L239 HydrophobicContact CE1-CD2 4.09Å; F235-L239 HydrophobicContact CZ-CD2 4.31Å; F235-L239 WeakPolarHBondContact O-CB 3.41Å; F235-L239 PolarHBondContact O-N 3.34Å
236L98.6Very high98.6Very high76 Ų7663.8 Ų63.840%0.39835%0.346SS..Hα-helixtrans-62.3-39.8179.7-71.4174.5000111.3L232 L233 S238 L239 M240L232-L236 HydrophobicContact CD1-CD1 4.29Å; L232-L236 HydrophobicContact CD1-CG 4.16Å; L232-L236 HydrophobicContact CG-CD1 4.08Å; L232-L236 HydrophobicContact CG-CG 4.37Å; L232-L236 WeakPolarHBondContact O-CB 3.25Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.09Å; L233-L236 PolarHBondContact O-N 2.91Å; L236-S238 PolarHBondContact O-N 2.94Å; L236-L239 PolarHBondContact O-N 3.25Å; L236-M240 VanDerWaalsContact O-CB 3.25Å; L236-M240 WeakPolarHBondContact O-CB 3.46Å; L236-M240 WeakPolarHBondContact O-CG 3.4Å; L236-M240 PolarHBondContact O-N 3.33Å
237L98.7Very high98.6Very high109 Ų10959.8 Ų59.857%0.57133%0.327SS*.Hα-helixtrans-57.2-51.2174.3-17963.9000110.7L233 L234 F235 L239 M240 T241L233-L237 WeakPolarHBondContact O-CB 3.47Å; L233-L237 PolarHBondContact O-N 3.03Å; L234-L237 PolarHBondContact O-N 3.1Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.39Å; L237-L239 PolarHBondContact O-N 2.98Å; L237-M240 PolarHBondContact O-N 3.47Å; L237-T241 WeakPolarHBondContact O-CB 3.39Å; L237-T241 PolarHBondContact O-N 2.91Å; L237-T241 PolarHBondContact O-OG1 3.43Å
238S98.4Very high98.5Very high50 Ų5060.8 Ų60.835%0.3534%0.335SS..Hα-helixtrans-62.1-44.1179.566.40000113.1M89 L234 F235 L236 T241 L242M89-S238 WeakPolarHBondContact CE-OG 3.44Å; L234-S238 PolarHBondContact O-N 3.34Å; L234-S238 PolarHBondContact O-OG 3.34Å; F235-S238 PolarHBondContact O-N 3.42Å; F235-S238 PolarHBondContact O-OG 2.69Å; L236-S238 PolarHBondContact O-N 2.94Å; S238-T241 PolarHBondContact O-N 3.16Å; S238-L242 PolarHBondContact O-N 3.14Å
239L98.8Very high98.5Very high1 Ų165.4 Ų65.41%0.00536%0.359CS..Hα-helixtrans-63.7-44.1178173.864000111.4L43 L82 N85 M89 F235 L236 L237 L242 T243L43-L239 HydrophobicContact CD2-CD2 3.44Å; L43-L239 VanDerWaalsContact CD2-CD2 3.44Å; L82-L239 HydrophobicContact CD2-CD2 3.93Å; L82-L239 HydrophobicContact CD2-CG 4.06Å; N85-L239 HydrophobicContact CB-CD1 3.92Å; M89-L239 HydrophobicContact CG-CB 4.36Å; M89-L239 HydrophobicContact CG-CD1 3.9Å; F235-L239 HydrophobicContact CE1-CD2 4.09Å; F235-L239 HydrophobicContact CZ-CD2 4.31Å; F235-L239 WeakPolarHBondContact O-CB 3.41Å; F235-L239 PolarHBondContact O-N 3.34Å; L236-L239 PolarHBondContact O-N 3.25Å; L237-L239 PolarHBondContact O-N 2.98Å; L239-L242 PolarHBondContact O-N 3.32Å; L239-T243 WeakPolarHBondContact O-CB 3.3Å; L239-T243 PolarHBondContact O-N 3.39Å; L239-T243 PolarHBondContact O-OG1 2.84Å
240M98.6Very high98.5Very high64 Ų6465.7 Ų65.732%0.31535%0.353SS..Hα-helixtrans-69.2-37.8179-68.8-57-60.200111.4I78 L82 L236 L237 T243 L244I78-M240 HydrophobicContact CD1-CE 4.26Å; L82-M240 HydrophobicContact CD2-SD 3.85Å; L236-M240 VanDerWaalsContact O-CB 3.25Å; L236-M240 WeakPolarHBondContact O-CB 3.46Å; L236-M240 WeakPolarHBondContact O-CG 3.4Å; L236-M240 PolarHBondContact O-N 3.33Å; L237-M240 PolarHBondContact O-N 3.47Å; M240-T243 PolarHBondContact O-N 3.45Å; M240-L244 HydrophobicContact CE-CD1 3.67Å; M240-L244 HydrophobicContact CE-CD2 4.2Å; M240-L244 HydrophobicContact CE-CG 3.92Å; M240-L244 VanDerWaalsContact O-CB 3.24Å; M240-L244 WeakPolarHBondContact O-CB 3.33Å; M240-L244 VanDerWaalsContact O-CG 3.26Å; M240-L244 WeakPolarHBondContact O-CG 3.49Å; M240-L244 PolarHBondContact O-N 3.39Å
241T98.7Very high98.3Very high69 Ų6962.9 Ų62.942%0.42335%0.349SS..Hα-helixtrans-60.3-48.2173.6-61.20000110.9L237 S238 F245L237-T241 WeakPolarHBondContact O-CB 3.39Å; L237-T241 PolarHBondContact O-N 2.91Å; L237-T241 PolarHBondContact O-OG1 3.43Å; S238-T241 PolarHBondContact O-N 3.16Å; T241-F245 HydrophobicContact CG2-CD2 4.12Å; T241-F245 WeakPolarHBondContact O-CB 3.48Å; T241-F245 WeakPolarHBondContact O-CD2 3.45Å; T241-F245 PolarHBondContact O-N 3.49Å
242L98.4Very high98.3Very high23 Ų2363.4 Ų63.412%0.1235%0.349CS..Hα-helixtrans-60.4-50176.2-179.762.3000111.2N85 S238 L239 L244 S246 P247 L249 L250N85-L242 HydrophobicContact CB-CD2 3.78Å; N85-L242 HydrophobicContact CB-CG 4.19Å; N85-L242 WeakPolarHBondContact OD1-CD2 3.37Å; S238-L242 PolarHBondContact O-N 3.14Å; L239-L242 PolarHBondContact O-N 3.32Å; L242-L244 PolarHBondContact O-N 3.15Å; L242-S246 WeakPolarHBondContact CD1-O 3.49Å; L242-S246 CarbonylContact O-C 3.45Å; L242-S246 WeakPolarHBondContact O-CA 3.38Å; L242-S246 PolarHBondContact O-N 2.83Å; L242-P247 WeakPolarHBondContact O-CA 3.3Å; L242-L249 HydrophobicContact CD1-CB 3.98Å; L242-L249 HydrophobicContact CD1-CD2 4.08Å; L242-L250 HydrophobicContact CD1-CG 4.43Å; L242-L250 HydrophobicContact CD2-CD1 3.67Å; L242-L250 HydrophobicContact CD2-CG 4.32Å
243T98.3Very high98.2Very high0 Ų064.8 Ų64.80%036%0.362CS..Hα-helixtrans-65.2-37.6-175.7-61.20000113.4I78 L82 L239 M240 P247I78-T243 HydrophobicContact CG1-CG2 4.26Å; L82-T243 HydrophobicContact CD2-CG2 4.18Å; L82-T243 HydrophobicContact CG-CG2 4.16Å; L239-T243 WeakPolarHBondContact O-CB 3.3Å; L239-T243 PolarHBondContact O-N 3.39Å; L239-T243 PolarHBondContact O-OG1 2.84Å; M240-T243 PolarHBondContact O-N 3.45Å; T243-P247 WeakPolarHBondContact O-CB 3.17Å
244L98.6Very high98.1Very high82 Ų8262.2 Ų62.243%0.42935%0.348SS..Hα-helixtrans-91.3-33.6-174.6-63.7178000113.4W77 I78 M240 L242W77-L244 HydrophobicContact CH2-CD2 3.86Å; W77-L244 HydrophobicContact CZ3-CD2 4.22Å; I78-L244 HydrophobicContact CD1-CD2 4.01Å; M240-L244 HydrophobicContact CE-CD1 3.67Å; M240-L244 HydrophobicContact CE-CD2 4.2Å; M240-L244 HydrophobicContact CE-CG 3.92Å; M240-L244 VanDerWaalsContact O-CB 3.24Å; M240-L244 WeakPolarHBondContact O-CB 3.33Å; M240-L244 VanDerWaalsContact O-CG 3.26Å; M240-L244 WeakPolarHBondContact O-CG 3.49Å; M240-L244 PolarHBondContact O-N 3.39Å; L242-L244 PolarHBondContact O-N 3.15Å
245F98.5Very high98Very high161 Ų16158.3 Ų58.371%0.70633%0.328SS*.Hα-helixtrans-106.6-25.8-174.1-64.2-78.8000113.8T241T241-F245 HydrophobicContact CG2-CD2 4.12Å; T241-F245 WeakPolarHBondContact O-CB 3.48Å; T241-F245 WeakPolarHBondContact O-CD2 3.45Å; T241-F245 PolarHBondContact O-N 3.49Å
246S98.3Very high98Very high56 Ų5662.8 Ų62.839%0.39235%0.345SS..  trans-147.454.8-177.2-54.70000112.2L242 D248 L249L242-S246 WeakPolarHBondContact CD1-O 3.49Å; L242-S246 CarbonylContact O-C 3.45Å; L242-S246 WeakPolarHBondContact O-CA 3.38Å; L242-S246 PolarHBondContact O-N 2.83Å; S246-D248 PolarHBondContact O-N 3.02Å; S246-L249 VanDerWaalsContact O-CB 3.31Å; S246-L249 WeakPolarHBondContact O-CB 3.19Å; S246-L249 PolarHBondContact O-N 3.43Å; S246-L249 VanDerWaalsContact O-N 3.07Å
247P98.1Very high98Very high33 Ų3362.5 Ų62.521%0.21435%0.347CS..THydrogen-bonded Turntrans-59.8-25.8-168.420.8-32.8000114.7Y81 N85 L242 T243Y81-P247 HydrophobicContact CD1-CB 3.55Å; Y81-P247 HydrophobicContact CD2-CB 4.04Å; Y81-P247 HydrophobicContact CE1-CB 3.77Å; Y81-P247 HydrophobicContact CE2-CB 4.23Å; Y81-P247 HydrophobicContact CG-CB 3.71Å; N85-P247 PolarHBondContact ND2-O 3.01Å; N85-P247 PolarHBondContact OD1-O 3.37Å; L242-P247 WeakPolarHBondContact O-CA 3.3Å; T243-P247 WeakPolarHBondContact O-CB 3.17Å
248D98.1Very high97.9Very high73 Ų7362 Ų6239%0.3934%0.344SS..THydrogen-bonded Turntrans-100.61.6-176.7-63.1-52.5000113.7S246 L250 G251 Y256S246-D248 PolarHBondContact O-N 3.02Å; D248-L250 PolarHBondContact O-N 3.24Å; D248-L250 VanDerWaalsContact O-N 3.11Å; D248-G251 PolarHBondContact O-N 2.82Å; D248-G251 VanDerWaalsContact O-N 3.13Å; D248-Y256 WeakPolarHBondContact OD1-CE2 3.23Å; D248-Y256 PolarHBondContact OD1-OH 3.47Å
249L98.4Very high97.8Very high126 Ų12660.3 Ų60.366%0.6633%0.333SS*.THydrogen-bonded Turntrans-56.5-33.8-172.917963.8000113.6L242 S246L242-L249 HydrophobicContact CD1-CB 3.98Å; L242-L249 HydrophobicContact CD1-CD2 4.08Å; S246-L249 VanDerWaalsContact O-CB 3.31Å; S246-L249 WeakPolarHBondContact O-CB 3.19Å; S246-L249 PolarHBondContact O-N 3.43Å; S246-L249 VanDerWaalsContact O-N 3.07Å
250L97.9Very high97.8Very high56 Ų5663.4 Ų63.429%0.29335%0.35SS..THydrogen-bonded Turntrans-99.4-5.5-176.2-58.8-177.2000113.7L242 D248L242-L250 HydrophobicContact CD1-CG 4.43Å; L242-L250 HydrophobicContact CD2-CD1 3.67Å; L242-L250 HydrophobicContact CD2-CG 4.32Å; D248-L250 PolarHBondContact O-N 3.24Å; D248-L250 VanDerWaalsContact O-N 3.11Å
251G95.8Very high97.6Very high42 Ų4264 Ų6443%0.43336%0.359SS..SBendtrans-98.1168.3-178.700000113D248D248-G251 PolarHBondContact O-N 2.82Å; D248-G251 VanDerWaalsContact O-N 3.13Å
252D97.1Very high97.5Very high23 Ų2368.6 Ų68.612%0.12338%0.38CS..  trans-98.8129.4175.7-161.6-72.4000111.7M138 D254 N255 K269M138-D252 HydrophobicContact CG-CB 4.1Å; D252-D254 PolarHBondContact O-N 3.48Å; D252-D254 WeakPolarHBondContact OD1-CB 3.41Å; D252-D254 PolarHBondContact OD1-N 2.98Å; D252-N255 WeakPolarHBondContact O-CB 3.35Å; D252-N255 PolarHBondContact O-N 3.41Å; D252-N255 VanDerWaalsContact O-N 3.11Å; D252-K269 WeakPolarHBondContact OD2-CE 3.35Å; D252-K269 IonicContact OD2-NZ 3.56Å; D252-K269 PolarHBondContact OD2-NZ 3.33Å
253P97.1Very high97.4Very high96 Ų9672 Ų7262%0.62340%0.398SS*.G310 helixtrans-61.9-27.4-17825.6-35.9000113.5N255 Y256P253-N255 PolarHBondContact O-N 3.31Å; P253-N255 VanDerWaalsContact O-N 3.14Å; P253-Y256 WeakPolarHBondContact O-CB 3.32Å; P253-Y256 PolarHBondContact O-N 2.92Å
254D96.8Very high97.2Very high55 Ų5575.4 Ų75.429%0.29442%0.419SS..G310 helixtrans-63.6-22.7179-76.7-9.4000111.3Q137 M138 D252 Y256 T257Q137-D254 HydrophobicContact CB-CB 4.46Å; M138-D254 HydrophobicContact CE-CB 3.52Å; M138-D254 WeakPolarHBondContact CE-OD2 3.39Å; M138-D254 HydrophobicContact CG-CB 3.8Å; D252-D254 PolarHBondContact O-N 3.48Å; D252-D254 WeakPolarHBondContact OD1-CB 3.41Å; D252-D254 PolarHBondContact OD1-N 2.98Å; D254-Y256 PolarHBondContact O-N 3.05Å; D254-T257 PolarHBondContact O-N 2.97Å; D254-T257 PolarHBondContact O-OG1 2.95Å
255N97.5Very high97Very high22 Ų2272 Ų7212%0.11840%0.402CS..G310 helixtrans-73.3-5.3176.7-139.731.9000114.2G136 M138 S139 D252 P253 T257G136-N255 VanDerWaalsContact C-OD1 3.3Å; G136-N255 VanDerWaalsContact CA-OD1 3.25Å; G136-N255 WeakPolarHBondContact CA-OD1 3.43Å; M138-N255 HydrophobicContact CB-CB 4.17Å; M138-N255 PolarHBondContact N-OD1 2.86Å; S139-N255 PolarHBondContact N-OD1 3.44Å; S139-N255 PolarHBondContact OG-ND2 3.11Å; S139-N255 PolarHBondContact OG-OD1 3.25Å; D252-N255 WeakPolarHBondContact O-CB 3.35Å; D252-N255 PolarHBondContact O-N 3.41Å; D252-N255 VanDerWaalsContact O-N 3.11Å; P253-N255 PolarHBondContact O-N 3.31Å; P253-N255 VanDerWaalsContact O-N 3.14Å; N255-T257 VanDerWaalsContact C-N 3.31Å
256Y97.5Very high96.6Very high101 Ų10170.7 Ų70.740%0.39641%0.41SS..G310 helixtrans-872.8167.6-75.2-70.5000113.8F63 R80 Y81 D248 P253 D254F63-Y256 WeakPolarHBondContact CZ-O 3.46Å; R80-Y256 PolarHBondContact NH1-OH 3.41Å; Y81-Y256 PolarHBondContact OH-OH 3.45Å; D248-Y256 WeakPolarHBondContact OD1-CE2 3.23Å; D248-Y256 PolarHBondContact OD1-OH 3.47Å; P253-Y256 WeakPolarHBondContact O-CB 3.32Å; P253-Y256 PolarHBondContact O-N 2.92Å; D254-Y256 PolarHBondContact O-N 3.05Å
257T97.9Very high96.3Very high70 Ų7070.2 Ų70.243%0.42940%0.401SS..SBendtrans-108.1135.317161.20000110.1G136 Q137 D254 N255 A259G136-T257 CarbonylContact C-O 3.51Å; G136-T257 WeakPolarHBondContact CA-O 3.41Å; Q137-T257 WeakPolarHBondContact CG-OG1 3.41Å; Q137-T257 PolarHBondContact N-O 3.32Å; D254-T257 PolarHBondContact O-N 2.97Å; D254-T257 PolarHBondContact O-OG1 2.95Å; N255-T257 VanDerWaalsContact C-N 3.31Å; T257-A259 PolarHBondContact O-N 3.33Å
258L97.6Very high96.1Very high99 Ų9970.1 Ų70.152%0.51840%0.398SS..BIsolated β-bridgetrans-56.5137.7178.9175.265.5000110.3F63 N260F63-L258 HydrophobicContact CB-CD1 3.45Å; F63-L258 VanDerWaalsContact CB-CD1 3.45Å; F63-L258 HydrophobicContact CD1-CB 4.22Å; F63-L258 HydrophobicContact CD1-CD1 4.15Å; F63-L258 HydrophobicContact CD2-CB 4.47Å; F63-L258 HydrophobicContact CD2-CD1 4.24Å; F63-L258 HydrophobicContact CE1-CB 4.37Å; F63-L258 HydrophobicContact CG-CB 4.29Å; F63-L258 HydrophobicContact CG-CD1 3.69Å; L258-N260 PolarHBondContact O-N 3.34Å
259A97.1Very high96Very high14 Ų1469.4 Ų69.412%0.11639%0.392CS..  trans-52.5128.2176.100000112.1W135 F140 T257W135-A259 HydrophobicContact CG-CB 4.41Å; W135-A259 WeakPolarHBondContact O-CB 3.48Å; W135-A259 PolarHBondContact O-N 3.49Å; W135-A259 VanDerWaalsContact O-N 3.11Å; F140-A259 HydrophobicContact CB-CB 3.51Å; F140-A259 HydrophobicContact CD2-CB 4.28Å; F140-A259 HydrophobicContact CG-CB 3.93Å; T257-A259 PolarHBondContact O-N 3.33Å
260N96.9Very high95.9Very high66 Ų6664.4 Ų64.435%0.35337%0.367SS..  trans-125.7108.3173.1-177.3-11.9000109.4W141 L258 L262 N263W141-N260 PolarHBondContact NE1-O 2.83Å; L258-N260 PolarHBondContact O-N 3.34Å; N260-L262 PolarHBondContact O-N 3.22Å; N260-L262 WeakPolarHBondContact OD1-CB 3.34Å; N260-L262 PolarHBondContact OD1-N 2.95Å; N260-N263 HydrophobicContact CB-CB 4.16Å; N260-N263 PolarHBondContact O-N 3.21Å; N260-N263 VanDerWaalsContact O-N 3.09Å
261P95.6Very high95.9Very high78 Ų7862.8 Ų62.851%0.50636%0.358SS..THydrogen-bonded Turntrans-60-16.2179.1-24.334.1000114.8F140 W141F140-P261 HydrophobicContact CE1-CB 4.12Å; F140-P261 HydrophobicContact CE1-CG 4.27Å; F140-P261 HydrophobicContact CE2-CG 4.24Å; F140-P261 HydrophobicContact CZ-CB 3.87Å; F140-P261 HydrophobicContact CZ-CG 3.81Å; W141-P261 WeakPolarHBondContact CH2-O 3.13Å; W141-P261 WeakPolarHBondContact CZ2-O 3.46Å
262L96.4Very high96Very high165 Ų16563.6 Ų63.686%0.86435%0.348SS*.THydrogen-bonded Turntrans-100.1-6-179-55.7179.2000113.5N260N260-L262 PolarHBondContact O-N 3.22Å; N260-L262 WeakPolarHBondContact OD1-CB 3.34Å; N260-L262 PolarHBondContact OD1-N 2.95Å
263N95.8Very high96.1Very high93 Ų9363 Ų6350%0.49734%0.344SS..  trans-128.199.9-179.4-174.616.6000110.8Q137 W141 N260Q137-N263 PolarHBondContact NE2-O 3.08Å; W141-N263 PolarHBondContact NE1-O 3.48Å; W141-N263 VanDerWaalsContact NE1-O 3.1Å; N260-N263 HydrophobicContact CB-CB 4.16Å; N260-N263 PolarHBondContact O-N 3.21Å; N260-N263 VanDerWaalsContact O-N 3.09Å
264T94.1Very high96.2Very high73 Ų7359.8 Ų59.845%0.44832%0.32SS..  trans-78.4127.8179.3-48.60000110.9W141 I268W141-T264 HydrophobicContact CD2-CG2 4.2Å; W141-T264 HydrophobicContact CE3-CG2 4.19Å; W141-T264 HydrophobicContact CH2-CG2 4.48Å; W141-T264 VanDerWaalsContact CH2-OG1 3.26Å; W141-T264 WeakPolarHBondContact CH2-OG1 3.03Å; W141-T264 HydrophobicContact CZ2-CG2 4.48Å; W141-T264 WeakPolarHBondContact CZ2-OG1 3.07Å; W141-T264 HydrophobicContact CZ3-CG2 4.34Å; T264-I268 HydrophobicContact CG2-CD1 3.43Å; T264-I268 VanDerWaalsContact CG2-CD1 3.43Å; T264-I268 HydrophobicContact CG2-CG1 4.29Å
265P94.1Very high96.3Very high10 Ų1058 Ų587%0.06531%0.311CS..  trans-57.4150.8173.1-2835.6000112.7Q137 M138 W141 H267 I268Q137-P265 HydrophobicContact CB-CG 3.86Å; M138-P265 HydrophobicContact CE-CB 3.48Å; M138-P265 VanDerWaalsContact CE-CB 3.48Å; M138-P265 HydrophobicContact CE-CG 3.98Å; W141-P265 HydrophobicContact CG-CG 4.38Å; P265-H267 VanDerWaalsContact C-N 3.27Å; P265-H267 PolarHBondContact O-N 2.75Å; P265-I268 HydrophobicContact CB-CG1 4.35Å
266P90.8Very high96.3Very high134 Ų13458 Ų5887%0.8731%0.31SS*.SBendtrans-58.5-35.4-178.4-23.932.7000114
267H92.5Very high96.4Very high46 Ų4653.4 Ų53.421%0.21329%0.292CS..SBendtrans-141.391.8-179.1-173.2-127.1000111.6P265 K269 G340 Q341P265-H267 VanDerWaalsContact C-N 3.27Å; P265-H267 PolarHBondContact O-N 2.75Å; H267-K269 PolarHBondContact O-N 2.73Å; H267-G340 PolarHBondContact CE1-O 3.47Å; H267-G340 VanDerWaalsContact CE1-O 3.23Å; H267-Q341 PolarHBondContact CE1-O 3.04Å; H267-Q341 PolarHBondContact NE2-O 3.24Å
268I94Very high96.4Very high30 Ų3051.4 Ų51.415%0.15428%0.277CS..  trans-74.2121.9175.4-58.2161.6000109.5W141 V145 T264 P265 Y278W141-I268 HydrophobicContact CB-CD1 3.72Å; W141-I268 HydrophobicContact CB-CG1 3.89Å; W141-I268 HydrophobicContact CB-CG2 4.13Å; W141-I268 HydrophobicContact CD2-CD1 4.27Å; W141-I268 HydrophobicContact CE3-CD1 4.19Å; W141-I268 HydrophobicContact CG-CD1 4.11Å; W141-I268 HydrophobicContact CG-CG1 4.49Å; V145-I268 HydrophobicContact CG2-CD1 4.27Å; V145-I268 HydrophobicContact CG2-CG2 4.3Å; T264-I268 HydrophobicContact CG2-CD1 3.43Å; T264-I268 VanDerWaalsContact CG2-CD1 3.43Å; T264-I268 HydrophobicContact CG2-CG1 4.29Å; P265-I268 HydrophobicContact CB-CG1 4.35Å; I268-Y278 PolarHBondContact O-OH 2.91Å
269K94.9Very high96.5Very high59 Ų5946.8 Ų46.826%0.25725%0.253SS..  trans-143.2152.8177.161.8-175.4175.5-175.50109.6D252 H267 L275 Y278D252-K269 WeakPolarHBondContact OD2-CE 3.35Å; D252-K269 IonicContact OD2-NZ 3.56Å; D252-K269 PolarHBondContact OD2-NZ 3.33Å; H267-K269 PolarHBondContact O-N 2.73Å; K269-L275 HydrophobicContact CB-CD2 4.16Å; K269-Y278 HydrophobicContact CB-CE1 4.36Å
270P96.8Very high96.5Very high21 Ų2146.2 Ų46.214%0.13625%0.248CC..  trans-77.5174.3170.935.9-36.8000110.9F274 L275 Y278P270-F274 HydrophobicContact CB-CB 3.81Å; P270-F274 HydrophobicContact CB-CD2 4.16Å; P270-F274 HydrophobicContact CB-CG 4.42Å; P270-F274 HydrophobicContact CG-CB 3.73Å; P270-L275 HydrophobicContact CG-CD2 4.11Å; P270-L275 WeakPolarHBondContact O-CD2 2.93Å; P270-Y278 HydrophobicContact CG-CD2 4.45Å; P270-Y278 HydrophobicContact CG-CG 4.08Å
271E97.7Very high96.6Very high21 Ų2144 Ų4410%0.09824%0.236CC..  trans-57.9156.6171.7-69.5-68.8108.900112.7Y131 Y273 F274Y131-E271 HydrophobicContact CD1-CG 4.21Å; Y131-E271 HydrophobicContact CD2-CG 3.44Å; Y131-E271 VanDerWaalsContact CD2-CG 3.44Å; Y131-E271 HydrophobicContact CE1-CG 4.15Å; Y131-E271 HydrophobicContact CE2-CG 3.36Å; Y131-E271 WeakPolarHBondContact CE2-OE1 3.15Å; Y131-E271 HydrophobicContact CG-CG 3.86Å; Y131-E271 PolarHBondContact OH-OE1 3.23Å; E271-Y273 HydrophobicContact CB-CD1 4.2Å; E271-Y273 HydrophobicContact CB-CE1 3.57Å; E271-Y273 HydrophobicContact CB-CE2 4.08Å; E271-Y273 VanDerWaalsContact CB-CZ 3.49Å; E271-Y273 HydrophobicContact CG-CE1 4.3Å; E271-Y273 PolarHBondContact O-N 3.26Å; E271-F274 PolarHBondContact O-N 3.32Å
272W98.6Very high96.7Very high60 Ų6043 Ų4323%0.22722%0.222CC..G310 helixtrans-53.7-37-166.570.9-93.6000114.1S88 F91 I92 F95 F274 L275S88-W272 WeakPolarHBondContact O-CZ2 3.46Å; S88-W272 PolarHBondContact OG-NE1 3.32Å; F91-W272 HydrophobicContact CB-CH2 4.08Å; F91-W272 HydrophobicContact CB-CZ2 4.15Å; I92-W272 HydrophobicContact CD1-CH2 4.47Å; I92-W272 HydrophobicContact CD1-CZ2 4.28Å; I92-W272 HydrophobicContact CG1-CH2 3.53Å; I92-W272 HydrophobicContact CG1-CZ2 3.71Å; F95-W272 HydrophobicContact CD2-CH2 4.23Å; F95-W272 HydrophobicContact CD2-CZ3 4.16Å; F95-W272 HydrophobicContact CE2-CH2 4.06Å; F95-W272 AromaticContact CE2-CZ3 3.84Å; F95-W272 HydrophobicContact CE2-CZ3 3.84Å; W272-F274 PolarHBondContact O-N 3.25Å; W272-L275 HydrophobicContact CB-CD1 4.27Å; W272-L275 WeakPolarHBondContact O-CB 3.46Å; W272-L275 PolarHBondContact O-N 2.76Å; W272-L275 VanDerWaalsContact O-N 3.11Å
273Y98.5Very high96.8Very high9 Ų935.8 Ų35.84%0.03519%0.185CC..G310 helixtrans-70.6-8.5-178.745.8-96.1000114F91 F95 A127 E271F91-Y273 HydrophobicContact CB-CD1 4.27Å; F91-Y273 HydrophobicContact CB-CG 3.99Å; F91-Y273 AromaticContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CG 4.03Å; F91-Y273 AromaticContact CD2-CD1 3.78Å; F91-Y273 HydrophobicContact CD2-CD1 3.78Å; F91-Y273 AromaticContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CE1 4.1Å; F91-Y273 AromaticContact CD2-CE2 3.8Å; F91-Y273 HydrophobicContact CD2-CE2 3.8Å; F91-Y273 AromaticContact CD2-CG 3.51Å; F91-Y273 HydrophobicContact CD2-CG 3.51Å; F91-Y273 AromaticContact CE1-CD2 3.92Å; F91-Y273 HydrophobicContact CE1-CD2 3.92Å; F91-Y273 HydrophobicContact CE1-CG 4.42Å; F91-Y273 HydrophobicContact CE2-CD1 4.41Å; F91-Y273 AromaticContact CE2-CD2 3.46Å; F91-Y273 HydrophobicContact CE2-CD2 3.46Å; F91-Y273 VanDerWaalsContact CE2-CD2 3.46Å; F91-Y273 HydrophobicContact CE2-CE1 4.45Å; F91-Y273 AromaticContact CE2-CE2 3.43Å; F91-Y273 HydrophobicContact CE2-CE2 3.43Å; F91-Y273 VanDerWaalsContact CE2-CE2 3.43Å; F91-Y273 AromaticContact CE2-CG 3.97Å; F91-Y273 HydrophobicContact CE2-CG 3.97Å; F91-Y273 AromaticContact CE2-CZ 4Å; F91-Y273 HydrophobicContact CG-CD1 4.1Å; F91-Y273 AromaticContact CG-CD2 3.81Å; F91-Y273 HydrophobicContact CG-CD2 3.81Å; F91-Y273 AromaticContact CG-CG 3.55Å; F91-Y273 HydrophobicContact CG-CG 3.55Å; F91-Y273 AromaticContact CZ-CD2 3.66Å; F91-Y273 HydrophobicContact CZ-CD2 3.66Å; F91-Y273 AromaticContact CZ-CE2 3.87Å; F91-Y273 HydrophobicContact CZ-CE2 3.87Å; F91-Y273 HydrophobicContact CZ-CG 4.4Å; F95-Y273 WeakPolarHBondContact CZ-O 3.3Å; A127-Y273 HydrophobicContact CB-CE2 3.98Å; E271-Y273 HydrophobicContact CB-CD1 4.2Å; E271-Y273 HydrophobicContact CB-CE1 3.57Å; E271-Y273 HydrophobicContact CB-CE2 4.08Å; E271-Y273 VanDerWaalsContact CB-CZ 3.49Å; E271-Y273 HydrophobicContact CG-CE1 4.3Å; E271-Y273 PolarHBondContact O-N 3.26Å
274F98.6Very high96.9Very high30 Ų3033.9 Ų33.913%0.13218%0.177CC..G310 helixtrans-103.5-9.3171.6-66.4-58.1000113.8M124 F128 P270 E271 W272 F276 A277 Y278M124-F274 HydrophobicContact CB-CE1 3.83Å; M124-F274 HydrophobicContact CB-CZ 4.25Å; M124-F274 HydrophobicContact CE-CD1 3.63Å; M124-F274 HydrophobicContact CE-CE1 3.49Å; M124-F274 VanDerWaalsContact CE-CE1 3.49Å; M124-F274 HydrophobicContact CG-CE1 3.83Å; M124-F274 WeakPolarHBondContact O-CZ 3.37Å; F128-F274 HydrophobicContact CB-CE2 4.27Å; F128-F274 HydrophobicContact CB-CZ 4.18Å; P270-F274 HydrophobicContact CB-CB 3.81Å; P270-F274 HydrophobicContact CB-CD2 4.16Å; P270-F274 HydrophobicContact CB-CG 4.42Å; P270-F274 HydrophobicContact CG-CB 3.73Å; E271-F274 PolarHBondContact O-N 3.32Å; W272-F274 PolarHBondContact O-N 3.25Å; F274-F276 VanDerWaalsContact C-N 3.3Å; F274-F276 PolarHBondContact O-N 3.45Å; F274-A277 PolarHBondContact O-N 2.79Å; F274-Y278 WeakPolarHBondContact O-CB 3.43Å; F274-Y278 PolarHBondContact O-N 3.08Å
275L98.7Very high97Very high17 Ų1736.4 Ų36.49%0.08920%0.195CC..Hα-helixtrans-62.7-33.9-170.4-68.7179.3000113.3K269 P270 W272 A277 Y278 T279 T336K269-L275 HydrophobicContact CB-CD2 4.16Å; P270-L275 HydrophobicContact CG-CD2 4.11Å; P270-L275 WeakPolarHBondContact O-CD2 2.93Å; W272-L275 HydrophobicContact CB-CD1 4.27Å; W272-L275 WeakPolarHBondContact O-CB 3.46Å; W272-L275 PolarHBondContact O-N 2.76Å; W272-L275 VanDerWaalsContact O-N 3.11Å; L275-A277 PolarHBondContact O-N 3.27Å; L275-Y278 HydrophobicContact CD2-CD1 4.34Å; L275-Y278 PolarHBondContact O-N 2.91Å; L275-T279 PolarHBondContact O-N 3.45Å; L275-T279 PolarHBondContact O-OG1 3.41Å; L275-T336 HydrophobicContact CB-CG2 4.07Å; L275-T336 WeakPolarHBondContact CB-O 3.35Å; L275-T336 HydrophobicContact CD1-CG2 4.34Å
276F98.9Very high97.1Very high22 Ų2240.5 Ų40.510%0.09622%0.216CC..Hα-helixtrans-61.1-46.417880.9-84.2000111.8F95 F274 T279 I280 L332 L335F95-F276 HydrophobicContact CE1-CE1 4.45Å; F95-F276 HydrophobicContact CZ-CE1 4.32Å; F274-F276 VanDerWaalsContact C-N 3.3Å; F274-F276 PolarHBondContact O-N 3.45Å; F276-T279 PolarHBondContact O-N 3.06Å; F276-I280 PolarHBondContact O-N 2.79Å; F276-L332 HydrophobicContact CB-CD2 4.2Å; F276-L332 HydrophobicContact CD2-CD2 3.64Å; F276-L332 HydrophobicContact CE2-CD2 4.32Å; F276-L332 HydrophobicContact CG-CD2 4.04Å; F276-L335 HydrophobicContact CB-CB 3.93Å
277A98.6Very high97.3Very high4 Ų438.9 Ų38.93%0.03320%0.195CC..Hα-helixtrans-71.1-36.6178.300000111F274 L275 T279 I280 L281 L294F274-A277 PolarHBondContact O-N 2.79Å; L275-A277 PolarHBondContact O-N 3.27Å; A277-T279 VanDerWaalsContact C-N 3.29Å; A277-T279 PolarHBondContact O-N 3.47Å; A277-I280 PolarHBondContact O-N 2.73Å; A277-I280 VanDerWaalsContact O-N 3.15Å; A277-L281 PolarHBondContact O-N 2.8Å; A277-L294 HydrophobicContact CB-CD1 4Å; A277-L294 HydrophobicContact CB-CG 4.31Å
278Y98.5Very high97.5Very high28 Ų2839.5 Ų39.511%0.1120%0.2CC..Hα-helixtrans-61.3-35.6174.2179.1-115.4000112.6I268 K269 P270 F274 L275 L281 R282I268-Y278 PolarHBondContact O-OH 2.91Å; K269-Y278 HydrophobicContact CB-CE1 4.36Å; P270-Y278 HydrophobicContact CG-CD2 4.45Å; P270-Y278 HydrophobicContact CG-CG 4.08Å; F274-Y278 WeakPolarHBondContact O-CB 3.43Å; F274-Y278 PolarHBondContact O-N 3.08Å; L275-Y278 HydrophobicContact CD2-CD1 4.34Å; L275-Y278 PolarHBondContact O-N 2.91Å; Y278-L281 HydrophobicContact CD2-CD2 4.14Å; Y278-L281 WeakPolarHBondContact O-CB 3.48Å; Y278-R282 HydrophobicContact CE2-CG 4.17Å; Y278-R282 VanDerWaalsContact CZ-CD 3.44Å; Y278-R282 WeakPolarHBondContact O-CG 3.23Å; Y278-R282 PolarHBondContact O-N 3.32Å; Y278-R282 WeakPolarHBondContact OH-CD 3.26Å
279T98.7Very high97.7Very high2 Ų239.2 Ų39.21%0.01220%0.204CC..Hα-helixtrans-63.6-48.3170.5-64.80000111.5L275 F276 A277 L281 R282 S283 L335 I338 G339L275-T279 PolarHBondContact O-N 3.45Å; L275-T279 PolarHBondContact O-OG1 3.41Å; F276-T279 PolarHBondContact O-N 3.06Å; A277-T279 VanDerWaalsContact C-N 3.29Å; A277-T279 PolarHBondContact O-N 3.47Å; T279-L281 VanDerWaalsContact C-N 3.28Å; T279-L281 PolarHBondContact O-N 3.06Å; T279-R282 PolarHBondContact O-N 3.3Å; T279-R282 VanDerWaalsContact O-N 3.08Å; T279-S283 PolarHBondContact O-N 3.04Å; T279-S283 PolarHBondContact O-OG 3.45Å; T279-L335 WeakPolarHBondContact CB-O 3.49Å; T279-L335 HydrophobicContact CG2-CD2 3.52Å; T279-L335 PolarHBondContact OG1-O 3.06Å; T279-I338 HydrophobicContact CG2-CB 4.04Å; T279-I338 HydrophobicContact CG2-CG2 3.64Å; T279-G339 WeakPolarHBondContact OG1-CA 3.47Å; T279-G339 PolarHBondContact OG1-N 3.12Å
280I98.8Very high97.9Very high2 Ų236.4 Ų36.41%0.0119%0.192CC..Hα-helixtrans-58.2-41.4178.7-66.7171.1000111.4F276 A277 R282 S283 A293 S297 L335 Y358 F359F276-I280 PolarHBondContact O-N 2.79Å; A277-I280 PolarHBondContact O-N 2.73Å; A277-I280 VanDerWaalsContact O-N 3.15Å; I280-R282 PolarHBondContact O-N 3.33Å; I280-S283 PolarHBondContact O-N 3.39Å; I280-A293 HydrophobicContact CG2-CB 3.81Å; I280-S297 VanDerWaalsContact CD1-CB 3.49Å; I280-L335 HydrophobicContact CD1-CD1 4.07Å; I280-L335 HydrophobicContact CG1-CD1 4.22Å; I280-L335 HydrophobicContact CG1-CD2 4.15Å; I280-Y358 HydrophobicContact CD1-CD1 3.93Å; I280-Y358 HydrophobicContact CD1-CE1 4.26Å; I280-Y358 HydrophobicContact CD1-CG 4.26Å; I280-F359 HydrophobicContact CG2-CE2 3.87Å; I280-F359 HydrophobicContact CG2-CZ 4.35Å
281L98.4Very high97.9Very high19 Ų1936.3 Ų36.310%0.09919%0.191CC..Hα-helixtrans-54.3-51.6173170.865000111.8L149 A277 Y278 T279 S283 G290 V291 L294L149-L281 HydrophobicContact CD1-CD1 4.36Å; L149-L281 HydrophobicContact CD1-CD2 3.68Å; L149-L281 HydrophobicContact CD2-CD1 4.25Å; L149-L281 HydrophobicContact CD2-CD2 4.15Å; A277-L281 PolarHBondContact O-N 2.8Å; Y278-L281 HydrophobicContact CD2-CD2 4.14Å; Y278-L281 WeakPolarHBondContact O-CB 3.48Å; T279-L281 VanDerWaalsContact C-N 3.28Å; T279-L281 PolarHBondContact O-N 3.06Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 3.37Å; L281-G290 WeakPolarHBondContact CD1-O 3.36Å; L281-G290 WeakPolarHBondContact O-CA 3.39Å; L281-V291 HydrophobicContact CD1-CG2 4.25Å; L281-L294 HydrophobicContact CB-CB 4.13Å; L281-L294 HydrophobicContact CB-CD1 3.94Å; L281-L294 HydrophobicContact CD2-CD1 4.29Å
282R97.2Very high98Very high59 Ų5939.6 Ų39.622%0.22321%0.209CC..Hα-helixtrans-74.7-20.4-175.1-68-171.3-61.4171.612.6113.6Y278 T279 I280 V284 I338 G339 Q341Y278-R282 HydrophobicContact CE2-CG 4.17Å; Y278-R282 VanDerWaalsContact CZ-CD 3.44Å; Y278-R282 WeakPolarHBondContact O-CG 3.23Å; Y278-R282 PolarHBondContact O-N 3.32Å; Y278-R282 WeakPolarHBondContact OH-CD 3.26Å; T279-R282 PolarHBondContact O-N 3.3Å; T279-R282 VanDerWaalsContact O-N 3.08Å; I280-R282 PolarHBondContact O-N 3.33Å; R282-V284 PolarHBondContact O-N 3.34Å; R282-I338 PolarHBondContact NH2-O 3.44Å; R282-G339 PolarHBondContact NH2-O 2.72Å; R282-Q341 PolarHBondContact NH1-O 3.29Å; R282-Q341 PolarHBondContact NH2-O 3.34Å
283S98.1Very high98Very high12 Ų1237.3 Ų37.38%0.08420%0.203CC..Hα-helixtrans-66.7-26.2178.4-67.60000113.2T279 I280 L281 G351 Q352 S355T279-S283 PolarHBondContact O-N 3.04Å; T279-S283 PolarHBondContact O-OG 3.45Å; I280-S283 PolarHBondContact O-N 3.39Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 3.37Å; S283-G351 PolarHBondContact OG-O 2.81Å; S283-G351 VanDerWaalsContact OG-O 3.05Å; S283-Q352 WeakPolarHBondContact O-CG 3.05Å; S283-Q352 PolarHBondContact O-NE2 2.75Å; S283-Q352 PolarHBondContact OG-N 3.49Å; S283-S355 WeakPolarHBondContact CB-OG 3.22Å; S283-S355 PolarHBondContact OG-OG 3.02Å
284V98.1Very high97.9Very high53 Ų5338.9 Ų38.932%0.32121%0.212SC..SBendtrans-93.1117.3-179.4-175.70000109.9R282 N286 A293R282-V284 PolarHBondContact O-N 3.34Å; V284-N286 HydrophobicContact CG1-CB 4.27Å; V284-N286 PolarHBondContact O-N 2.96Å; V284-A293 HydrophobicContact CG2-CB 3.86Å
285P96.3Very high97.9Very high127 Ų12741.4 Ų41.483%0.82523%0.226SC*.SBendtrans-78.744.5-178.534.7-37.3000112.4
286N97.5Very high97.9Very high95 Ų9544.9 Ų44.951%0.50824%0.244SC..SBendtrans-151.3130.3175.9179.9-80.8000108.9V284 L288 G289 G290V284-N286 HydrophobicContact CG1-CB 4.27Å; V284-N286 PolarHBondContact O-N 2.96Å; N286-L288 PolarHBondContact O-N 3.19Å; N286-L288 PolarHBondContact OD1-N 3.29Å; N286-G289 PolarHBondContact O-N 3.13Å; N286-G289 PolarHBondContact OD1-N 3.2Å; N286-G290 PolarHBondContact O-N 3.43Å
287K94.9Very high97.8Very high100 Ų10043.9 Ų43.944%0.43524%0.24SC..Hα-helixtrans-58.4-52.9-175.9-167-174.8177.5-1800112.3N148 S151 A152 G290 V291N148-K287 WeakPolarHBondContact O-CE 2.9Å; N148-K287 PolarHBondContact O-NZ 2.83Å; S151-K287 PolarHBondContact OG-NZ 3.28Å; A152-K287 HydrophobicContact CB-CB 4.5Å; A152-K287 HydrophobicContact CB-CD 3.96Å; A152-K287 HydrophobicContact CB-CG 3.9Å; K287-G290 PolarHBondContact O-N 2.89Å; K287-V291 VanDerWaalsContact O-CG2 3.29Å; K287-V291 WeakPolarHBondContact O-CG2 3.25Å; K287-V291 PolarHBondContact O-N 2.85Å; K287-V291 VanDerWaalsContact O-N 3.09Å
288L96.9Very high97.8Very high60 Ų6044.6 Ų44.631%0.31424%0.243SC..Hα-helixtrans-65.3-44.7179.8177.160000111.3A152 P154 N286 G290 V291 L292A152-L288 HydrophobicContact CB-CB 4.27Å; A152-L288 HydrophobicContact CB-CD1 4.38Å; P154-L288 HydrophobicContact CG-CD2 4.43Å; N286-L288 PolarHBondContact O-N 3.19Å; N286-L288 PolarHBondContact OD1-N 3.29Å; L288-G290 VanDerWaalsContact C-N 3.34Å; L288-G290 PolarHBondContact O-N 3.47Å; L288-V291 PolarHBondContact O-N 3.49Å; L288-L292 HydrophobicContact CD1-CD1 4.28Å; L288-L292 HydrophobicContact CD1-CG 4.2Å; L288-L292 HydrophobicContact CG-CD1 4.14Å; L288-L292 HydrophobicContact CG-CG 4.48Å; L288-L292 WeakPolarHBondContact O-CG 3.32Å; L288-L292 PolarHBondContact O-N 3.29Å
289G98.3Very high97.8Very high23 Ų2346.4 Ų46.424%0.23726%0.255CS..Hα-helixtrans-58.8-42.7177.800000112.8N286 L292 A293N286-G289 PolarHBondContact O-N 3.13Å; N286-G289 PolarHBondContact OD1-N 3.2Å; G289-L292 PolarHBondContact O-N 3.05Å; G289-A293 WeakPolarHBondContact O-CB 3.16Å; G289-A293 PolarHBondContact O-N 3.5Å
290G98Very high97.8Very high1 Ų146.7 Ų46.71%0.0126%0.256CS..Hα-helixtrans-65.3-41175.400000112.7L281 N286 K287 L288 A293 L294L281-G290 WeakPolarHBondContact CD1-O 3.36Å; L281-G290 WeakPolarHBondContact O-CA 3.39Å; N286-G290 PolarHBondContact O-N 3.43Å; K287-G290 PolarHBondContact O-N 2.89Å; L288-G290 VanDerWaalsContact C-N 3.34Å; L288-G290 PolarHBondContact O-N 3.47Å; G290-A293 PolarHBondContact O-N 2.83Å; G290-L294 WeakPolarHBondContact O-CB 3.48Å; G290-L294 PolarHBondContact O-N 2.97Å
291V97.8Very high97.8Very high19 Ų1947.4 Ų47.412%0.11526%0.26CS..Hα-helixtrans-62.7-43.7175.8172.10000111.3L149 A152 L281 K287 L288 L294 L295L149-V291 HydrophobicContact CB-CG2 3.73Å; L149-V291 HydrophobicContact CD2-CG2 4.03Å; L149-V291 HydrophobicContact CG-CG2 4.3Å; A152-V291 HydrophobicContact CB-CG2 4.36Å; L281-V291 HydrophobicContact CD1-CG2 4.25Å; K287-V291 VanDerWaalsContact O-CG2 3.29Å; K287-V291 WeakPolarHBondContact O-CG2 3.25Å; K287-V291 PolarHBondContact O-N 2.85Å; K287-V291 VanDerWaalsContact O-N 3.09Å; L288-V291 PolarHBondContact O-N 3.49Å; V291-L294 PolarHBondContact O-N 3.26Å; V291-L295 PolarHBondContact O-N 2.77Å
292L98.2Very high97.8Very high89 Ų8948.5 Ų48.547%0.46627%0.271SS..Hα-helixtrans-63.3-43.3174.5-67.9174.5000111.4L288 G289 L294 L295 L296L288-L292 HydrophobicContact CD1-CD1 4.28Å; L288-L292 HydrophobicContact CD1-CG 4.2Å; L288-L292 HydrophobicContact CG-CD1 4.14Å; L288-L292 HydrophobicContact CG-CG 4.48Å; L288-L292 WeakPolarHBondContact O-CG 3.32Å; L288-L292 PolarHBondContact O-N 3.29Å; G289-L292 PolarHBondContact O-N 3.05Å; L292-L294 PolarHBondContact O-N 2.76Å; L292-L295 PolarHBondContact O-N 3.49Å; L292-L296 VanDerWaalsContact O-CB 3.29Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 WeakPolarHBondContact O-CG 3.44Å; L292-L296 PolarHBondContact O-N 3.33Å
293A98.4Very high97.8Very high13 Ų1350 Ų5011%0.10728%0.282CS..Hα-helixtrans-63-41.6178.300000112.4I280 V284 G289 G290 L296 S297I280-A293 HydrophobicContact CG2-CB 3.81Å; V284-A293 HydrophobicContact CG2-CB 3.86Å; G289-A293 WeakPolarHBondContact O-CB 3.16Å; G289-A293 PolarHBondContact O-N 3.5Å; G290-A293 PolarHBondContact O-N 2.83Å; A293-L296 PolarHBondContact O-N 3.31Å; A293-S297 WeakPolarHBondContact O-CB 3.17Å; A293-S297 PolarHBondContact O-N 2.89Å
294L97.9Very high97.8Very high42 Ų4250.1 Ų50.122%0.2228%0.281CS..Hα-helixtrans-59.9-50.5173.5172.9128.7000111.2A277 L281 G290 V291 L292 L296 S297A277-L294 HydrophobicContact CB-CD1 4Å; A277-L294 HydrophobicContact CB-CG 4.31Å; L281-L294 HydrophobicContact CB-CB 4.13Å; L281-L294 HydrophobicContact CB-CD1 3.94Å; L281-L294 HydrophobicContact CD2-CD1 4.29Å; G290-L294 WeakPolarHBondContact O-CB 3.48Å; G290-L294 PolarHBondContact O-N 2.97Å; V291-L294 PolarHBondContact O-N 3.26Å; L292-L294 PolarHBondContact O-N 2.76Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 2.92Å; L294-S297 WeakPolarHBondContact O-CB 3.38Å; L294-S297 PolarHBondContact O-N 3.07Å; L294-S297 PolarHBondContact O-OG 3.09Å
295L97.4Very high97.8Very high83 Ų8349.2 Ų49.244%0.43528%0.276SS..Hα-helixtrans-62.4-42.7179.5-177.4147.5000111.7V291 L292 S297 I298 L299V291-L295 PolarHBondContact O-N 2.77Å; L292-L295 PolarHBondContact O-N 3.49Å; L295-S297 VanDerWaalsContact C-N 3.29Å; L295-S297 PolarHBondContact O-N 3.06Å; L295-I298 PolarHBondContact O-N 2.85Å; L295-L299 HydrophobicContact CD2-CD1 3.33Å; L295-L299 HydrophobicContact CD2-CG 3.92Å; L295-L299 HydrophobicContact CG-CD1 4.14Å; L295-L299 HydrophobicContact CG-CG 4.4Å; L295-L299 PolarHBondContact O-N 2.98Å
296L98.3Very high97.8Very high89 Ų8948.8 Ų48.847%0.46627%0.266SS..Hα-helixtrans-65.9-29.6176.5-71.9172.4000112.7L292 A293 L294 I298 L299 I300 F359L292-L296 VanDerWaalsContact O-CB 3.29Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 WeakPolarHBondContact O-CG 3.44Å; L292-L296 PolarHBondContact O-N 3.33Å; A293-L296 PolarHBondContact O-N 3.31Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 2.92Å; L296-I298 PolarHBondContact O-N 3.32Å; L296-I298 VanDerWaalsContact O-N 3.14Å; L296-L299 PolarHBondContact O-N 3.19Å; L296-I300 WeakPolarHBondContact O-CB 3.41Å; L296-I300 WeakPolarHBondContact O-CG2 3.38Å; L296-I300 PolarHBondContact O-N 3.13Å; L296-F359 HydrophobicContact CB-CE1 4.2Å; L296-F359 HydrophobicContact CB-CZ 4.32Å
297S98.4Very high97.8Very high2 Ų246 Ų461%0.01425%0.251CS..Hα-helixtrans-61.7-20.6175.876.80000113.7I280 A293 L294 L295 Y358I280-S297 VanDerWaalsContact CD1-CB 3.49Å; A293-S297 WeakPolarHBondContact O-CB 3.17Å; A293-S297 PolarHBondContact O-N 2.89Å; L294-S297 WeakPolarHBondContact O-CB 3.38Å; L294-S297 PolarHBondContact O-N 3.07Å; L294-S297 PolarHBondContact O-OG 3.09Å; L295-S297 VanDerWaalsContact C-N 3.29Å; L295-S297 PolarHBondContact O-N 3.06Å; S297-Y358 PolarHBondContact O-OH 3.4Å
298I98.4Very high98Very high18 Ų1843.2 Ų43.29%0.09224%0.239CC..Hα-helixtrans-100.9-47.5175.2-55.1161.2000109.7L120 L121 M124 L295 L296 I300 L301L120-I298 HydrophobicContact CD2-CG2 3.74Å; L120-I298 HydrophobicContact CG-CG2 4.41Å; L121-I298 HydrophobicContact CD2-CD1 4.5Å; L121-I298 HydrophobicContact CD2-CG2 3.76Å; L121-I298 HydrophobicContact CG-CG2 4.42Å; M124-I298 HydrophobicContact CE-CD1 3.42Å; M124-I298 VanDerWaalsContact CE-CD1 3.42Å; M124-I298 HydrophobicContact CE-CG1 4.17Å; M124-I298 HydrophobicContact SD-CD1 3.84Å; M124-I298 HydrophobicContact SD-CG1 4.42Å; M124-I298 HydrophobicContact SD-CG2 4.42Å; L295-I298 PolarHBondContact O-N 2.85Å; L296-I298 PolarHBondContact O-N 3.32Å; L296-I298 VanDerWaalsContact O-N 3.14Å; I298-I300 PolarHBondContact O-N 3.43Å; I298-L301 WeakPolarHBondContact O-CB 3.46Å; I298-L301 WeakPolarHBondContact O-CG 3.42Å; I298-L301 PolarHBondContact O-N 3.02Å
299L98.3Very high98Very high67 Ų6744.5 Ų44.535%0.35125%0.245SC..Hα-helixtrans-68.2-16.3-177.4-65.9-165.5000113.9L121 L295 L296 L301 A302L121-L299 HydrophobicContact CD1-CD2 4.04Å; L295-L299 HydrophobicContact CD2-CD1 3.33Å; L295-L299 HydrophobicContact CD2-CG 3.92Å; L295-L299 HydrophobicContact CG-CD1 4.14Å; L295-L299 HydrophobicContact CG-CG 4.4Å; L295-L299 PolarHBondContact O-N 2.98Å; L296-L299 PolarHBondContact O-N 3.19Å; L299-L301 PolarHBondContact O-N 3Å; L299-L301 VanDerWaalsContact O-N 3.12Å; L299-A302 WeakPolarHBondContact O-CB 3.05Å; L299-A302 PolarHBondContact O-N 2.96Å
300I98.5Very high98Very high8 Ų843.9 Ų43.94%0.04124%0.237CC..G310 helixtrans-57.3-24.8172.3-165.8168.4000112.5L296 I298 A302 M303 I304 Y358 F359 I362 L363L296-I300 WeakPolarHBondContact O-CB 3.41Å; L296-I300 WeakPolarHBondContact O-CG2 3.38Å; L296-I300 PolarHBondContact O-N 3.13Å; I298-I300 PolarHBondContact O-N 3.43Å; I300-A302 PolarHBondContact O-N 3.39Å; I300-M303 WeakPolarHBondContact O-CB 3.41Å; I300-M303 PolarHBondContact O-N 2.86Å; I300-I304 PolarHBondContact O-N 3.48Å; I300-Y358 HydrophobicContact CG2-CE1 4.15Å; I300-Y358 VanDerWaalsContact CG2-OH 3.27Å; I300-Y358 WeakPolarHBondContact CG2-OH 3.4Å; I300-F359 HydrophobicContact CD1-CD1 3.71Å; I300-F359 HydrophobicContact CD1-CE1 4.07Å; I300-I362 HydrophobicContact CD1-CB 3.82Å; I300-I362 HydrophobicContact CD1-CD1 3.99Å; I300-I362 HydrophobicContact CD1-CG2 3.54Å; I300-I362 HydrophobicContact CG1-CG2 3.76Å; I300-I362 HydrophobicContact CG2-CD1 4.23Å; I300-L363 HydrophobicContact CD1-CD1 4.43Å; I300-L363 HydrophobicContact CD1-CD2 3.77Å; I300-L363 HydrophobicContact CD1-CG 3.89Å; I300-L363 HydrophobicContact CG1-CD2 4.11Å
301L98.6Very high98Very high17 Ų1750.3 Ų50.39%0.08926%0.264CS..G310 helixtrans-57.1-32.1172.9-67.4175.8000112.5I98 L102 W113 I117 L120 I298 L299 M303 I304I98-L301 HydrophobicContact CD1-CD1 4.28Å; I98-L301 HydrophobicContact CG2-CD1 4.46Å; I98-L301 HydrophobicContact CG2-CD2 4.17Å; L102-L301 HydrophobicContact CD2-CD2 4.41Å; W113-L301 HydrophobicContact CH2-CD2 4.46Å; W113-L301 HydrophobicContact CZ2-CB 4.18Å; W113-L301 HydrophobicContact CZ2-CD2 4.02Å; W113-L301 PolarHBondContact NE1-O 3.43Å; I117-L301 HydrophobicContact CD1-CB 3.84Å; I117-L301 HydrophobicContact CG1-CB 3.98Å; L120-L301 HydrophobicContact CD2-CD1 3.72Å; I298-L301 WeakPolarHBondContact O-CB 3.46Å; I298-L301 WeakPolarHBondContact O-CG 3.42Å; I298-L301 PolarHBondContact O-N 3.02Å; L299-L301 PolarHBondContact O-N 3Å; L299-L301 VanDerWaalsContact O-N 3.12Å; L301-M303 PolarHBondContact O-N 3.38Å; L301-I304 WeakPolarHBondContact O-CB 3.23Å; L301-I304 WeakPolarHBondContact O-CG1 3.21Å; L301-I304 PolarHBondContact O-N 3.48Å
302A98.2Very high98Very high41 Ų4151.5 Ų51.534%0.33927%0.269SS..G310 helixtrans-70.3-22177.200000112.7I117 L299 I300I117-A302 HydrophobicContact CD1-CB 3.89Å; L299-A302 WeakPolarHBondContact O-CB 3.05Å; L299-A302 PolarHBondContact O-N 2.96Å; I300-A302 PolarHBondContact O-N 3.39Å
303M97.6Very high98Very high90 Ų9049.3 Ų49.344%0.44326%0.256SS..G310 helixtrans-81.5-20.3176.7-61-60.5-66.600112.5I300 L301 I306 L307I300-M303 WeakPolarHBondContact O-CB 3.41Å; I300-M303 PolarHBondContact O-N 2.86Å; L301-M303 PolarHBondContact O-N 3.38Å; M303-I306 WeakPolarHBondContact O-CB 3.15Å; M303-I306 PolarHBondContact O-N 3.19Å; M303-I306 HydrophobicContact SD-CD1 4.43Å; M303-L307 HydrophobicContact CB-CD1 3.93Å; M303-L307 HydrophobicContact CB-CG 4.4Å; M303-L307 VanDerWaalsContact O-CG 3.31Å; M303-L307 WeakPolarHBondContact O-CG 3.25Å; M303-L307 PolarHBondContact O-N 2.89Å
304I98.1Very high98Very high16 Ų1648.8 Ų48.88%0.08225%0.252CS..THydrogen-bonded Turntrans-54.6-45.9-173.8-61.1-68.8000113.5L102 F107 I300 L301 I306 L307 H308 I362L102-I304 HydrophobicContact CD2-CD1 4.25Å; L102-I304 HydrophobicContact CD2-CG1 4.04Å; L102-I304 HydrophobicContact CD2-CG2 3.9Å; F107-I304 HydrophobicContact CB-CG2 4.29Å; F107-I304 HydrophobicContact CD1-CG2 3.47Å; F107-I304 VanDerWaalsContact CD1-CG2 3.47Å; F107-I304 HydrophobicContact CD2-CG2 3.78Å; F107-I304 HydrophobicContact CE1-CG2 3.58Å; F107-I304 HydrophobicContact CE2-CG2 3.92Å; F107-I304 HydrophobicContact CG-CG2 3.57Å; F107-I304 HydrophobicContact CZ-CG2 3.81Å; I300-I304 PolarHBondContact O-N 3.48Å; L301-I304 WeakPolarHBondContact O-CB 3.23Å; L301-I304 WeakPolarHBondContact O-CG1 3.21Å; L301-I304 PolarHBondContact O-N 3.48Å; I304-I306 VanDerWaalsContact C-N 3.26Å; I304-I306 PolarHBondContact O-N 2.98Å; I304-L307 PolarHBondContact O-N 2.7Å; I304-H308 PolarHBondContact O-N 3.21Å; I304-I362 HydrophobicContact CD1-CG2 3.44Å; I304-I362 VanDerWaalsContact CD1-CG2 3.44Å
305P97.7Very high98Very high33 Ų3347.4 Ų47.421%0.21424%0.244CC..THydrogen-bonded Turntrans-60.5-35.4178.2-2334.5000113.1F107 H308F107-P305 HydrophobicContact CB-CG 4.31Å; F107-P305 HydrophobicContact CD2-CB 4.31Å; F107-P305 HydrophobicContact CD2-CG 4.22Å; F107-P305 WeakPolarHBondContact O-CG 3.49Å; P305-H308 WeakPolarHBondContact O-CB 3.44Å; P305-H308 PolarHBondContact O-N 3.01Å
306I97.3Very high98Very high119 Ų11947.1 Ų47.161%0.6124%0.242SC*.THydrogen-bonded Turntrans-74.7-31.8-179.5-54.1170.1000110.9M303 I304 H308M303-I306 WeakPolarHBondContact O-CB 3.15Å; M303-I306 PolarHBondContact O-N 3.19Å; M303-I306 HydrophobicContact SD-CD1 4.43Å; I304-I306 VanDerWaalsContact C-N 3.26Å; I304-I306 PolarHBondContact O-N 2.98Å; I306-H308 PolarHBondContact O-N 3.14Å
307L97.7Very high98Very high36 Ų3648.2 Ų48.219%0.18824%0.243CC..THydrogen-bonded Turntrans-79-4.3178.9-67.4172.1000113.2M303 I304 M309 I362 L363 P367M303-L307 HydrophobicContact CB-CD1 3.93Å; M303-L307 HydrophobicContact CB-CG 4.4Å; M303-L307 VanDerWaalsContact O-CG 3.31Å; M303-L307 WeakPolarHBondContact O-CG 3.25Å; M303-L307 PolarHBondContact O-N 2.89Å; I304-L307 PolarHBondContact O-N 2.7Å; L307-M309 PolarHBondContact O-N 3.04Å; L307-M309 VanDerWaalsContact O-N 3.17Å; L307-I362 HydrophobicContact CD1-CG2 4.18Å; L307-L363 HydrophobicContact CD1-CD2 3.86Å; L307-P367 HydrophobicContact CB-CG 4.04Å; L307-P367 HydrophobicContact CD2-CG 4.13Å
308H98Very high98Very high41 Ų4148.3 Ų48.319%0.1924%0.243CC..  trans-76104-178.8-172.577.6000112.1F107 L108 I304 P305 I306 S310 Q312F107-H308 HydrophobicContact CE2-CB 3.85Å; F107-H308 AromaticContact CE2-CG 3.94Å; F107-H308 AromaticContact CE2-ND1 3.79Å; F107-H308 HydrophobicContact CZ-CB 4.36Å; F107-H308 AromaticContact CZ-ND1 3.6Å; L108-H308 HydrophobicContact CD2-CB 4.27Å; I304-H308 PolarHBondContact O-N 3.21Å; P305-H308 WeakPolarHBondContact O-CB 3.44Å; P305-H308 PolarHBondContact O-N 3.01Å; I306-H308 PolarHBondContact O-N 3.14Å; H308-S310 PolarHBondContact NE2-O 3.39Å; H308-Q312 PolarHBondContact CE1-O 3.11Å
309M97.7Very high98Very high87 Ų8751.9 Ų51.943%0.42927%0.267SS..  trans-104.8-3.4-178.7-62.4-64.9171.400114.1L307 P367 L371 N374L307-M309 PolarHBondContact O-N 3.04Å; L307-M309 VanDerWaalsContact O-N 3.17Å; M309-P367 HydrophobicContact CG-CB 4.06Å; M309-L371 HydrophobicContact CB-CD2 3.82Å; M309-L371 HydrophobicContact CB-CG 3.85Å; M309-L371 HydrophobicContact CG-CD2 4.45Å; M309-L371 HydrophobicContact CG-CG 4.36Å; M309-N374 PolarHBondContact O-ND2 3.24Å
310S98Very high98Very high10 Ų1051.8 Ų51.87%0.0727%0.267CS..  trans-77147.4-178.5173.20000111.5H308 Q312 R318H308-S310 PolarHBondContact NE2-O 3.39Å; S310-Q312 VanDerWaalsContact C-N 3.33Å; S310-Q312 WeakPolarHBondContact CB-O 3.44Å; S310-Q312 PolarHBondContact OG-N 3.21Å; S310-Q312 PolarHBondContact OG-O 3.05Å; S310-R318 WeakPolarHBondContact OG-CD 3.27Å; S310-R318 VanDerWaalsContact OG-CZ 3.29Å; S310-R318 PolarHBondContact OG-NE 2.89Å; S310-R318 PolarHBondContact OG-NH1 3.4Å
311K97.7Very high98Very high136 Ų13651.4 Ų51.459%0.59127%0.265SS*.SBendtrans-82.5-13.6168.8-54.5-70.2-173.5172.20112.7N374 W379 A380K311-N374 PolarHBondContact N-OD1 3.43Å; K311-W379 HydrophobicContact CB-CD2 4.04Å; K311-W379 HydrophobicContact CB-CE3 3.5Å; K311-W379 VanDerWaalsContact CB-CE3 3.5Å; K311-W379 HydrophobicContact CB-CH2 4.49Å; K311-W379 HydrophobicContact CB-CZ3 3.76Å; K311-W379 HydrophobicContact CG-CB 4.2Å; K311-W379 HydrophobicContact CG-CD2 4.21Å; K311-W379 HydrophobicContact CG-CE3 3.89Å; K311-W379 HydrophobicContact CG-CG 4.4Å; K311-A380 WeakPolarHBondContact CE-O 3.46Å; K311-A380 PolarHBondContact NZ-O 3.37Å; K311-A380 VanDerWaalsContact NZ-O 3.13Å
312Q98Very high98Very high45 Ų4553.1 Ų53.121%0.2127%0.272CS..SBendtrans-99.4131.4170.9-78.4162-2800110.6H308 S310 R318 W379H308-Q312 PolarHBondContact CE1-O 3.11Å; S310-Q312 VanDerWaalsContact C-N 3.33Å; S310-Q312 WeakPolarHBondContact CB-O 3.44Å; S310-Q312 PolarHBondContact OG-N 3.21Å; S310-Q312 PolarHBondContact OG-O 3.05Å; Q312-R318 HydrophobicContact CB-CG 4.48Å; Q312-W379 HydrophobicContact CB-CZ3 4.46Å; Q312-W379 HydrophobicContact CG-CH2 3.42Å; Q312-W379 VanDerWaalsContact CG-CH2 3.42Å; Q312-W379 HydrophobicContact CG-CZ3 3.57Å
313Q97.8Very high98.1Very high42 Ų4254.5 Ų54.520%0.19628%0.279CS..SBendtrans-66.4-54.8178.21751694.800112.3G105 L108 N206G105-Q313 WeakPolarHBondContact CA-O 3.15Å; G105-Q313 PolarHBondContact O-NE2 3.09Å; L108-Q313 HydrophobicContact CD1-CB 4.16Å; L108-Q313 HydrophobicContact CD1-CG 3.75Å; N206-Q313 PolarHBondContact ND2-NE2 2.92Å
314S98.3Very high98.1Very high2 Ų251 Ų511%0.01426%0.263CS..SBendtrans-84148.9-177174.70000112.6Y104 P208 M316 R318Y104-S314 WeakPolarHBondContact CD1-OG 3.25Å; P208-S314 WeakPolarHBondContact O-CB 3.39Å; P208-S314 PolarHBondContact O-OG 2.84Å; S314-M316 PolarHBondContact O-N 2.92Å; S314-M316 WeakPolarHBondContact OG-CB 3.15Å; S314-M316 PolarHBondContact OG-N 3.4Å; S314-R318 WeakPolarHBondContact O-CD 3.43Å
315M98.6Very high98.1Very high14 Ų1451.1 Ų51.17%0.06926%0.263CS..G310 helixtrans-75.8-5.5170.2-64.7-176.5-177.100113.5Y103 F317 R318 Q322 H325Y103-M315 HydrophobicContact CD2-CB 4.3Å; Y103-M315 HydrophobicContact CD2-SD 4.34Å; Y103-M315 HydrophobicContact CE1-CB 4.44Å; Y103-M315 HydrophobicContact CE2-CB 4.23Å; Y103-M315 HydrophobicContact CG-CB 4.47Å; Y103-M315 VanDerWaalsContact O-CB 3.28Å; Y103-M315 WeakPolarHBondContact O-CB 3.33Å; Y103-M315 VanDerWaalsContact O-CG 3.31Å; Y103-M315 WeakPolarHBondContact O-CG 3.5Å; Y103-M315 PolarHBondContact O-N 2.75Å; M315-F317 PolarHBondContact O-N 3.41Å; M315-R318 PolarHBondContact O-N 3.41Å; M315-Q322 HydrophobicContact CB-CG 4.16Å; M315-Q322 VanDerWaalsContact O-CG 3.26Å; M315-Q322 WeakPolarHBondContact O-CG 3.49Å; M315-Q322 PolarHBondContact O-NE2 3Å; M315-H325 HydrophobicContact SD-CB 3.81Å
316M97.9Very high98.2Very high76 Ų7656.4 Ų56.437%0.37428%0.278SS..G310 helixtrans-52.4-32.9-176-178.6165.7176.700114.4P208 L209 S314 Q322P208-M316 HydrophobicContact CB-SD 4.28Å; L209-M316 HydrophobicContact CD2-CE 3.79Å; L209-M316 HydrophobicContact CD2-SD 3.69Å; S314-M316 PolarHBondContact O-N 2.92Å; S314-M316 WeakPolarHBondContact OG-CB 3.15Å; S314-M316 PolarHBondContact OG-N 3.4Å; M316-Q322 PolarHBondContact O-NE2 2.58Å
317F98.1Very high98.2Very high112 Ų11254 Ų5449%0.49127%0.267SS..G310 helixtrans-109.620179.4-55.5-62.5000113.7L209 M315L209-F317 HydrophobicContact CD2-CE2 4.03Å; L209-F317 HydrophobicContact CD2-CZ 3.65Å; M315-F317 PolarHBondContact O-N 3.41Å
318R98.4Very high98.3Very high5 Ų552.7 Ų52.72%0.01926%0.26CS..  trans-127.578.1-170.8-69.1176.356.7-164.20.4110.9S310 Q312 S314 M315 L320 S321 Q322 S370 E373S310-R318 WeakPolarHBondContact OG-CD 3.27Å; S310-R318 VanDerWaalsContact OG-CZ 3.29Å; S310-R318 PolarHBondContact OG-NE 2.89Å; S310-R318 PolarHBondContact OG-NH1 3.4Å; Q312-R318 HydrophobicContact CB-CG 4.48Å; S314-R318 WeakPolarHBondContact O-CD 3.43Å; M315-R318 PolarHBondContact O-N 3.41Å; R318-L320 VanDerWaalsContact C-N 3.31Å; R318-L320 PolarHBondContact O-N 2.93Å; R318-S321 PolarHBondContact NE-OG 3.11Å; R318-S321 PolarHBondContact NH2-OG 2.93Å; R318-S321 PolarHBondContact O-N 3.49Å; R318-S321 VanDerWaalsContact O-N 3.12Å; R318-Q322 WeakPolarHBondContact O-CG 3.36Å; R318-Q322 PolarHBondContact O-N 2.97Å; R318-S370 PolarHBondContact NH2-OG 3.37Å; R318-E373 VanDerWaalsContact CA-OE1 3.31Å; R318-E373 WeakPolarHBondContact CA-OE1 3.38Å; R318-E373 WeakPolarHBondContact CB-OE1 3.49Å; R318-E373 WeakPolarHBondContact CB-OE2 3.32Å; R318-E373 IonicContact CZ-OE2 3.34Å; R318-E373 IonicContact NE-OE2 2.88Å; R318-E373 PolarHBondContact NE-OE2 2.56Å; R318-E373 IonicContact NH2-OE2 2.85Å; R318-E373 PolarHBondContact NH2-OE2 3.12Å
319P98.3Very high98.3Very high92 Ų9252.2 Ų52.260%0.59726%0.263SS*.Hα-helixtrans-63-32.9-167.724.3-34.3000113.7Q322 S323P319-Q322 PolarHBondContact O-N 2.85Å; P319-S323 PolarHBondContact O-N 2.92Å
320L98.5Very high98.4Very high65 Ų6550.2 Ų50.234%0.3426%0.26SS..Hα-helixtrans-73.2-36.4177.4-59.5177.9000110.6R318 S323 L324 I369 I372 E373 M376R318-L320 VanDerWaalsContact C-N 3.31Å; R318-L320 PolarHBondContact O-N 2.93Å; L320-S323 PolarHBondContact O-N 3.48Å; L320-S323 PolarHBondContact O-OG 3.43Å; L320-L324 PolarHBondContact O-N 3.31Å; L320-I369 HydrophobicContact CB-CG2 3.41Å; L320-I369 VanDerWaalsContact CB-CG2 3.41Å; L320-I369 HydrophobicContact CD1-CD1 4.46Å; L320-I369 HydrophobicContact CD1-CG2 4.48Å; L320-I372 HydrophobicContact CD1-CG2 4.42Å; L320-E373 HydrophobicContact CB-CG 4.25Å; L320-E373 WeakPolarHBondContact CB-OE1 3.45Å; L320-E373 HydrophobicContact CD1-CG 4.23Å; L320-E373 PolarHBondContact N-OE1 3.35Å; L320-M376 HydrophobicContact CD1-SD 4.08Å
321S98.6Very high98.4Very high1 Ų149.9 Ų49.91%0.00726%0.257CS..Hα-helixtrans-69.4-34173.8-63.60000112.7R318 L324 H325 E373R318-S321 PolarHBondContact NE-OG 3.11Å; R318-S321 PolarHBondContact NH2-OG 2.93Å; R318-S321 PolarHBondContact O-N 3.49Å; R318-S321 VanDerWaalsContact O-N 3.12Å; S321-L324 PolarHBondContact O-N 2.87Å; S321-H325 PolarHBondContact O-N 3.21Å; S321-E373 PolarHBondContact N-OE1 2.91Å; S321-E373 PolarHBondContact OG-OE2 3.21Å
322Q98.7Very high98.5Very high52 Ų5246 Ų4624%0.24324%0.243CC..Hα-helixtrans-61.8-44.5173.3-70.3178.439.600111.8Y103 M315 M316 R318 P319 L324 H325 W326Y103-Q322 HydrophobicContact CE2-CB 4.48Å; Y103-Q322 HydrophobicContact CE2-CG 3.92Å; Y103-Q322 WeakPolarHBondContact OH-CG 3.44Å; Y103-Q322 PolarHBondContact OH-OE1 3.24Å; M315-Q322 HydrophobicContact CB-CG 4.16Å; M315-Q322 VanDerWaalsContact O-CG 3.26Å; M315-Q322 WeakPolarHBondContact O-CG 3.49Å; M315-Q322 PolarHBondContact O-NE2 3Å; M316-Q322 PolarHBondContact O-NE2 2.58Å; R318-Q322 WeakPolarHBondContact O-CG 3.36Å; R318-Q322 PolarHBondContact O-N 2.97Å; P319-Q322 PolarHBondContact O-N 2.85Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.05Å; Q322-H325 WeakPolarHBondContact O-CB 3.42Å; Q322-H325 PolarHBondContact O-N 3.27Å; Q322-W326 PolarHBondContact O-N 2.97Å
323S98.5Very high98.5Very high70 Ų7050 Ų5049%0.4927%0.265SS..Hα-helixtrans-63.7-39.5177.968.30000111.5P319 L320 W326 L327P319-S323 PolarHBondContact O-N 2.92Å; L320-S323 PolarHBondContact O-N 3.48Å; L320-S323 PolarHBondContact O-OG 3.43Å; S323-W326 PolarHBondContact O-N 2.79Å; S323-L327 WeakPolarHBondContact O-CB 3.45Å; S323-L327 PolarHBondContact O-N 2.86Å
324L98.4Very high98.6Very high17 Ų1751.3 Ų51.39%0.08927%0.273CS..Hα-helixtrans-65.6-36.8173.3-73.8-172.6000113.5L320 S321 Q322 L327 L328 L365 M366 I369L320-L324 PolarHBondContact O-N 3.31Å; S321-L324 PolarHBondContact O-N 2.87Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.05Å; L324-L327 HydrophobicContact CD2-CD2 4.05Å; L324-L327 PolarHBondContact O-N 3.39Å; L324-L328 WeakPolarHBondContact O-CB 3.26Å; L324-L328 PolarHBondContact O-N 3.15Å; L324-L365 HydrophobicContact CD1-CB 3.76Å; L324-L365 HydrophobicContact CD2-CB 4.13Å; L324-L365 HydrophobicContact CD2-CD1 4.18Å; L324-M366 HydrophobicContact CB-CG 4.39Å; L324-M366 HydrophobicContact CD1-CG 4.15Å; L324-I369 HydrophobicContact CD1-CB 3.83Å; L324-I369 HydrophobicContact CD1-CG1 3.51Å; L324-I369 HydrophobicContact CD1-CG2 4.28Å; L324-I369 HydrophobicContact CG-CG1 4.37Å
325H98.6Very high98.6Very high18 Ų1851.2 Ų51.28%0.08327%0.272CS..Hα-helixtrans-62-45.9174.9178.486.5000111.5G99 Y103 M315 S321 Q322 L328 A329G99-H325 PolarHBondContact O-CE1 3.28Å; Y103-H325 HydrophobicContact CD2-CB 4.26Å; Y103-H325 AromaticContact CD2-CD2 3.55Å; Y103-H325 AromaticContact CD2-CG 3.72Å; Y103-H325 AromaticContact CD2-NE2 3.84Å; M315-H325 HydrophobicContact SD-CB 3.81Å; S321-H325 PolarHBondContact O-N 3.21Å; Q322-H325 WeakPolarHBondContact O-CB 3.42Å; Q322-H325 PolarHBondContact O-N 3.27Å; H325-L328 WeakPolarHBondContact O-CB 3.33Å; H325-L328 PolarHBondContact O-N 2.86Å; H325-A329 PolarHBondContact O-N 3.48Å
326W98.7Very high98.6Very high144 Ų14452.2 Ų52.255%0.54528%0.279SS..Hα-helixtrans-71.7-31.3177.9-69.5116.9000112.8Q322 S323 A329 A330Q322-W326 PolarHBondContact O-N 2.97Å; S323-W326 PolarHBondContact O-N 2.79Å; W326-A329 HydrophobicContact CE3-CB 4.15Å; W326-A329 PolarHBondContact O-N 2.85Å; W326-A330 WeakPolarHBondContact O-CB 3.37Å; W326-A330 PolarHBondContact O-N 3.25Å
327L98.7Very high98.7Very high69 Ų6954.7 Ų54.736%0.36128%0.284SS..Hα-helixtrans-60.1-46.8168.718065.2000110.8S323 L324 A329 A330 D331 L357S323-L327 WeakPolarHBondContact O-CB 3.45Å; S323-L327 PolarHBondContact O-N 2.86Å; L324-L327 HydrophobicContact CD2-CD2 4.05Å; L324-L327 PolarHBondContact O-N 3.39Å; L327-A329 VanDerWaalsContact C-N 3.35Å; L327-A329 PolarHBondContact O-N 3.36Å; L327-A330 PolarHBondContact O-N 2.91Å; L327-D331 WeakPolarHBondContact O-CB 3.38Å; L327-D331 PolarHBondContact O-N 3.04Å; L327-L357 HydrophobicContact CD1-CD2 4.29Å; L327-L357 HydrophobicContact CD2-CD1 4.36Å
328L98.8Very high98.7Very high9 Ų949.6 Ų49.65%0.04726%0.262CS..Hα-helixtrans-61.9-41.9176.4-18063.3000111.9L324 H325 D331 L332 Y358 T361 I362 M366L324-L328 WeakPolarHBondContact O-CB 3.26Å; L324-L328 PolarHBondContact O-N 3.15Å; H325-L328 WeakPolarHBondContact O-CB 3.33Å; H325-L328 PolarHBondContact O-N 2.86Å; L328-D331 PolarHBondContact O-N 2.85Å; L328-L332 HydrophobicContact CG-CD1 4.48Å; L328-L332 WeakPolarHBondContact O-CG 3.46Å; L328-L332 PolarHBondContact O-N 2.95Å; L328-Y358 HydrophobicContact CD1-CD2 3.66Å; L328-Y358 HydrophobicContact CD1-CE2 3.94Å; L328-T361 HydrophobicContact CB-CG2 4.13Å; L328-I362 HydrophobicContact CD1-CD1 4.11Å; L328-I362 HydrophobicContact CD1-CG1 4.11Å; L328-I362 HydrophobicContact CD2-CD1 4.24Å; L328-I362 HydrophobicContact CD2-CG1 3.97Å; L328-M366 HydrophobicContact CB-CE 4.28Å; L328-M366 HydrophobicContact CD2-CE 3.78Å
329A98.8Very high98.7Very high30 Ų3049.3 Ų49.325%0.24826%0.261CS..Hα-helixtrans-63.1-43.7176.100000111.8H325 W326 L327 L332 L333H325-A329 PolarHBondContact O-N 3.48Å; W326-A329 HydrophobicContact CE3-CB 4.15Å; W326-A329 PolarHBondContact O-N 2.85Å; L327-A329 VanDerWaalsContact C-N 3.35Å; L327-A329 PolarHBondContact O-N 3.36Å; A329-L332 PolarHBondContact O-N 3.08Å; A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.45Å; A329-L333 VanDerWaalsContact O-N 3.15Å
330A98.9Very high98.6Very high45 Ų4545.9 Ų45.937%0.37224%0.242SC..Hα-helixtrans-64.7-40.5175.900000112W326 L327 L333 I334W326-A330 WeakPolarHBondContact O-CB 3.37Å; W326-A330 PolarHBondContact O-N 3.25Å; L327-A330 PolarHBondContact O-N 2.91Å; A330-L333 WeakPolarHBondContact O-CB 3.25Å; A330-L333 PolarHBondContact O-N 3.46Å; A330-I334 WeakPolarHBondContact O-CG1 3.39Å; A330-I334 PolarHBondContact O-N 3.39Å
331D98.9Very high98.6Very high3 Ų345.3 Ų45.32%0.01624%0.237CC..Hα-helixtrans-63.5-41.4176.7-172.955.2000111.9L327 L328 L333 I334 L335 A354 L357 Y358L327-D331 WeakPolarHBondContact O-CB 3.38Å; L327-D331 PolarHBondContact O-N 3.04Å; L328-D331 PolarHBondContact O-N 2.85Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.45Å; D331-I334 WeakPolarHBondContact O-CB 3.28Å; D331-I334 PolarHBondContact O-N 3.28Å; D331-I334 VanDerWaalsContact O-N 3.14Å; D331-L335 WeakPolarHBondContact O-CG 3.46Å; D331-L335 PolarHBondContact O-N 2.96Å; D331-A354 VanDerWaalsContact OD1-CA 3.32Å; D331-A354 WeakPolarHBondContact OD1-CA 3.08Å; D331-A354 WeakPolarHBondContact OD1-CB 3.49Å; D331-A354 VanDerWaalsContact OD2-O 3.08Å; D331-L357 HydrophobicContact CB-CD2 4.24Å; D331-Y358 VanDerWaalsContact OD2-CA 3.28Å; D331-Y358 WeakPolarHBondContact OD2-CA 3.07Å; D331-Y358 WeakPolarHBondContact OD2-CB 3.36Å; D331-Y358 PolarHBondContact OD2-N 3.48Å; D331-Y358 VanDerWaalsContact OD2-N 3.1Å
332L98.9Very high98.5Very high55 Ų5548.1 Ų48.129%0.28826%0.256SS..Hα-helixtrans-60.9-37.3172-78.3168.7000112.9F276 L328 A329 L335 T336 Y358F276-L332 HydrophobicContact CB-CD2 4.2Å; F276-L332 HydrophobicContact CD2-CD2 3.64Å; F276-L332 HydrophobicContact CE2-CD2 4.32Å; F276-L332 HydrophobicContact CG-CD2 4.04Å; L328-L332 HydrophobicContact CG-CD1 4.48Å; L328-L332 WeakPolarHBondContact O-CG 3.46Å; L328-L332 PolarHBondContact O-N 2.95Å; A329-L332 PolarHBondContact O-N 3.08Å; L332-L335 HydrophobicContact CD2-CD1 4.41Å; L332-L335 PolarHBondContact O-N 3.1Å; L332-T336 WeakPolarHBondContact O-CB 3.31Å; L332-T336 PolarHBondContact O-N 3.39Å; L332-T336 PolarHBondContact O-OG1 3.22Å; L332-Y358 HydrophobicContact CD2-CD2 4.01Å; L332-Y358 HydrophobicContact CD2-CE2 3.77Å; L332-Y358 HydrophobicContact CG-CD2 4.38Å; L332-Y358 HydrophobicContact CG-CE2 4.3Å
333L98.8Very high98.3Very high129 Ų12950.6 Ų50.668%0.67527%0.274SS*.Hα-helixtrans-66.9-39.6173.5-67.8173.3000111.6A329 A330 D331 T336 W337A329-L333 WeakPolarHBondContact O-CG 3.37Å; A329-L333 PolarHBondContact O-N 3.45Å; A329-L333 VanDerWaalsContact O-N 3.15Å; A330-L333 WeakPolarHBondContact O-CB 3.25Å; A330-L333 PolarHBondContact O-N 3.46Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.45Å; L333-T336 PolarHBondContact O-N 3.1Å; L333-W337 WeakPolarHBondContact O-CB 3.49Å; L333-W337 PolarHBondContact O-N 2.95Å
334I98.9Very high98.2Very high69 Ų6949.4 Ų49.435%0.35427%0.266SS..Hα-helixtrans-63.3-48.3173.9-68.3167.4000110.2A330 D331 T336 W337 I338 I350 A354A330-I334 WeakPolarHBondContact O-CG1 3.39Å; A330-I334 PolarHBondContact O-N 3.39Å; D331-I334 WeakPolarHBondContact O-CB 3.28Å; D331-I334 PolarHBondContact O-N 3.28Å; D331-I334 VanDerWaalsContact O-N 3.14Å; I334-T336 VanDerWaalsContact C-N 3.27Å; I334-T336 PolarHBondContact O-N 3.03Å; I334-W337 HydrophobicContact CG2-CE3 4.42Å; I334-W337 PolarHBondContact O-N 3.46Å; I334-I338 HydrophobicContact CG2-CG1 4.15Å; I334-I338 WeakPolarHBondContact O-CB 3.26Å; I334-I338 VanDerWaalsContact O-CG1 3.29Å; I334-I338 WeakPolarHBondContact O-CG1 3.28Å; I334-I338 PolarHBondContact O-N 2.81Å; I334-I350 HydrophobicContact CG2-CG2 4.01Å; I334-A354 HydrophobicContact CG2-CB 4.08Å
335L98.9Very high98.1Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-57.8-40.8176.3-73170.5000111.7F276 T279 I280 D331 L332 G339 A354 Y358F276-L335 HydrophobicContact CB-CB 3.93Å; T279-L335 WeakPolarHBondContact CB-O 3.49Å; T279-L335 HydrophobicContact CG2-CD2 3.52Å; T279-L335 PolarHBondContact OG1-O 3.06Å; I280-L335 HydrophobicContact CD1-CD1 4.07Å; I280-L335 HydrophobicContact CG1-CD1 4.22Å; I280-L335 HydrophobicContact CG1-CD2 4.15Å; D331-L335 WeakPolarHBondContact O-CG 3.46Å; D331-L335 PolarHBondContact O-N 2.96Å; L332-L335 HydrophobicContact CD2-CD1 4.41Å; L332-L335 PolarHBondContact O-N 3.1Å; L335-G339 PolarHBondContact O-N 3.35Å; L335-A354 HydrophobicContact CD2-CB 3.59Å; L335-A354 HydrophobicContact CG-CB 3.95Å; L335-Y358 HydrophobicContact CD1-CD2 4.27Å; L335-Y358 HydrophobicContact CD1-CG 4.31Å
336T98.8Very high98Very high35 Ų3559.9 Ų59.922%0.21531%0.311CS..Hα-helixtrans-63.7-47.9175.7-58.20000111.1L275 L332 L333 I334 G339 G340L275-T336 HydrophobicContact CB-CG2 4.07Å; L275-T336 WeakPolarHBondContact CB-O 3.35Å; L275-T336 HydrophobicContact CD1-CG2 4.34Å; L332-T336 WeakPolarHBondContact O-CB 3.31Å; L332-T336 PolarHBondContact O-N 3.39Å; L332-T336 PolarHBondContact O-OG1 3.22Å; L333-T336 PolarHBondContact O-N 3.1Å; I334-T336 VanDerWaalsContact C-N 3.27Å; I334-T336 PolarHBondContact O-N 3.03Å; T336-G339 PolarHBondContact O-N 3.17Å; T336-G340 PolarHBondContact O-N 2.89Å
337W98.7Very high98Very high129 Ų12955.1 Ų55.149%0.48930%0.295SS..Hα-helixtrans-59.3-49.7177.2165.658000112L333 I334 G339 G340 Q341 F347 I350L333-W337 WeakPolarHBondContact O-CB 3.49Å; L333-W337 PolarHBondContact O-N 2.95Å; I334-W337 HydrophobicContact CG2-CE3 4.42Å; I334-W337 PolarHBondContact O-N 3.46Å; W337-G339 PolarHBondContact O-N 2.93Å; W337-G340 PolarHBondContact O-N 3.37Å; W337-G340 VanDerWaalsContact O-N 3.1Å; W337-Q341 WeakPolarHBondContact O-CG 3.4Å; W337-F347 HydrophobicContact CH2-CD1 4.39Å; W337-F347 HydrophobicContact CH2-CE1 4.07Å; W337-F347 HydrophobicContact CZ2-CD1 4.39Å; W337-F347 AromaticContact CZ2-CE1 3.77Å; W337-F347 HydrophobicContact CZ2-CE1 3.77Å; W337-I350 HydrophobicContact CH2-CD1 4.47Å; W337-I350 HydrophobicContact CZ3-CG2 4.48Å
338I98.7Very high98Very high4 Ų454.5 Ų54.52%0.02129%0.294CS..Hα-helixtrans-61.9-31.8178-65.1-61.7000111.5T279 R282 I334 G340 Q341 F347 I350T279-I338 HydrophobicContact CG2-CB 4.04Å; T279-I338 HydrophobicContact CG2-CG2 3.64Å; R282-I338 PolarHBondContact NH2-O 3.44Å; I334-I338 HydrophobicContact CG2-CG1 4.15Å; I334-I338 WeakPolarHBondContact O-CB 3.26Å; I334-I338 VanDerWaalsContact O-CG1 3.29Å; I334-I338 WeakPolarHBondContact O-CG1 3.28Å; I334-I338 PolarHBondContact O-N 2.81Å; I338-G340 PolarHBondContact O-N 3.49Å; I338-Q341 PolarHBondContact O-N 2.86Å; I338-F347 HydrophobicContact CD1-CB 4.27Å; I338-F347 HydrophobicContact CD1-CD1 3.74Å; I338-F347 HydrophobicContact CD1-CG 4.46Å; I338-I350 HydrophobicContact CD1-CB 3.88Å; I338-I350 HydrophobicContact CD1-CD1 4.36Å; I338-I350 HydrophobicContact CD1-CG2 3.65Å; I338-I350 HydrophobicContact CG1-CB 4.37Å; I338-I350 HydrophobicContact CG1-CG2 3.83Å
339G98Very high97.9Very high0 Ų058 Ų580%031%0.312CS..Hα-helixtrans-60.9-33.7177.200000112.1T279 R282 L335 T336 W337 Q341T279-G339 WeakPolarHBondContact OG1-CA 3.47Å; T279-G339 PolarHBondContact OG1-N 3.12Å; R282-G339 PolarHBondContact NH2-O 2.72Å; L335-G339 PolarHBondContact O-N 3.35Å; T336-G339 PolarHBondContact O-N 3.17Å; W337-G339 PolarHBondContact O-N 2.93Å; G339-Q341 VanDerWaalsContact C-N 3.33Å
340G97.1Very high97.9Very high19 Ų1959.1 Ų59.120%0.19631%0.313CS..THydrogen-bonded Turntrans-79.9-8.8175.500000114.8H267 T336 W337 I338H267-G340 PolarHBondContact CE1-O 3.47Å; H267-G340 VanDerWaalsContact CE1-O 3.23Å; T336-G340 PolarHBondContact O-N 2.89Å; W337-G340 PolarHBondContact O-N 3.37Å; W337-G340 VanDerWaalsContact O-N 3.1Å; I338-G340 PolarHBondContact O-N 3.49Å
341Q97.9Very high97.9Very high53 Ų5357 Ų5725%0.24830%0.296CS..SBendtrans-93.7152.9-179.4-57.7-50.3-43.800112.5H267 R282 W337 I338 G339 F347H267-Q341 PolarHBondContact CE1-O 3.04Å; H267-Q341 PolarHBondContact NE2-O 3.24Å; R282-Q341 PolarHBondContact NH1-O 3.29Å; R282-Q341 PolarHBondContact NH2-O 3.34Å; W337-Q341 WeakPolarHBondContact O-CG 3.4Å; I338-Q341 PolarHBondContact O-N 2.86Å; G339-Q341 VanDerWaalsContact C-N 3.33Å; Q341-F347 HydrophobicContact CB-CB 4.12Å; Q341-F347 HydrophobicContact CB-CD1 3.95Å; Q341-F347 HydrophobicContact CB-CD2 3.73Å; Q341-F347 HydrophobicContact CB-CE1 4.28Å; Q341-F347 HydrophobicContact CB-CE2 4.07Å; Q341-F347 HydrophobicContact CB-CG 3.66Å; Q341-F347 HydrophobicContact CB-CZ 4.33Å; Q341-F347 HydrophobicContact CG-CD1 3.82Å; Q341-F347 HydrophobicContact CG-CD2 4.31Å; Q341-F347 HydrophobicContact CG-CE1 3.81Å; Q341-F347 HydrophobicContact CG-CE2 4.3Å; Q341-F347 HydrophobicContact CG-CG 4.07Å; Q341-F347 HydrophobicContact CG-CZ 4.05Å
342P96Very high97.9Very high61 Ų6160.1 Ų60.140%0.39631%0.31SS..  trans-66.1153.6174.928.4-35.9000111.9S344 F347P342-S344 VanDerWaalsContact C-N 3.32Å; P342-S344 PolarHBondContact O-N 2.79Å; P342-S344 PolarHBondContact O-OG 2.92Å; P342-F347 HydrophobicContact CG-CD2 4.43Å
343V95.2Very high97.9Very high103 Ų10361.8 Ų61.862%0.62432%0.323SS*.SBendtrans-74.186.2176.1-172.60000109.6
344S96.1Very high97.9Very high46 Ų4655.9 Ų55.932%0.32229%0.292SS..  trans-152.7163-178.357.90000110.6P342 F347 T348P342-S344 VanDerWaalsContact C-N 3.32Å; P342-S344 PolarHBondContact O-N 2.79Å; P342-S344 PolarHBondContact O-OG 2.92Å; S344-F347 WeakPolarHBondContact O-CA 3.41Å; S344-F347 WeakPolarHBondContact O-CB 3.38Å; S344-F347 PolarHBondContact O-N 3.08Å; S344-T348 PolarHBondContact N-OG1 3.3Å; S344-T348 PolarHBondContact O-N 3.06Å; S344-T348 PolarHBondContact O-OG1 3.19Å
345Y96.1Very high97.9Very high204 Ų20453 Ų5380%0.828%0.279SS*.THydrogen-bonded Turntrans-67.6136.1170.9-178.6-91.1000110.3I349Y345-I349 HydrophobicContact CD2-CG2 4.49Å; Y345-I349 HydrophobicContact CE2-CG2 4.32Å
346P97.4Very high97.9Very high50 Ų5057.6 Ų57.633%0.32531%0.307SS..THydrogen-bonded Turncis-92.91.32.836.9-35.8000114.7T348 I349 I350P346-T348 VanDerWaalsContact C-N 3.32Å; P346-T348 PolarHBondContact O-N 3.06Å; P346-I349 HydrophobicContact CB-CG2 4.45Å; P346-I349 WeakPolarHBondContact O-CG2 3.49Å; P346-I349 PolarHBondContact O-N 3Å; P346-I350 HydrophobicContact CB-CD1 4.24Å; P346-I350 HydrophobicContact CG-CD1 4.25Å; P346-I350 WeakPolarHBondContact O-CG1 3.47Å; P346-I350 PolarHBondContact O-N 2.93Å; P346-I350 VanDerWaalsContact O-N 3.15Å
347F98.4Very high97.9Very high44 Ų4458.6 Ų58.619%0.19331%0.31CS..Hα-helixtrans-62.5-34.7-173.7-56.4-55.2000113.9W337 I338 Q341 P342 S344 I349 I350 G351W337-F347 HydrophobicContact CH2-CD1 4.39Å; W337-F347 HydrophobicContact CH2-CE1 4.07Å; W337-F347 HydrophobicContact CZ2-CD1 4.39Å; W337-F347 AromaticContact CZ2-CE1 3.77Å; W337-F347 HydrophobicContact CZ2-CE1 3.77Å; I338-F347 HydrophobicContact CD1-CB 4.27Å; I338-F347 HydrophobicContact CD1-CD1 3.74Å; I338-F347 HydrophobicContact CD1-CG 4.46Å; Q341-F347 HydrophobicContact CB-CB 4.12Å; Q341-F347 HydrophobicContact CB-CD1 3.95Å; Q341-F347 HydrophobicContact CB-CD2 3.73Å; Q341-F347 HydrophobicContact CB-CE1 4.28Å; Q341-F347 HydrophobicContact CB-CE2 4.07Å; Q341-F347 HydrophobicContact CB-CG 3.66Å; Q341-F347 HydrophobicContact CB-CZ 4.33Å; Q341-F347 HydrophobicContact CG-CD1 3.82Å; Q341-F347 HydrophobicContact CG-CD2 4.31Å; Q341-F347 HydrophobicContact CG-CE1 3.81Å; Q341-F347 HydrophobicContact CG-CE2 4.3Å; Q341-F347 HydrophobicContact CG-CG 4.07Å; Q341-F347 HydrophobicContact CG-CZ 4.05Å; P342-F347 HydrophobicContact CG-CD2 4.43Å; S344-F347 WeakPolarHBondContact O-CA 3.41Å; S344-F347 WeakPolarHBondContact O-CB 3.38Å; S344-F347 PolarHBondContact O-N 3.08Å; F347-I349 PolarHBondContact O-N 3.41Å; F347-I350 PolarHBondContact O-N 3.46Å; F347-G351 PolarHBondContact O-N 3.2Å
348T97.9Very high97.9Very high57 Ų5752.9 Ų52.935%0.3529%0.289SS..Hα-helixtrans-59.3-47.7176.7-540000111.9S344 P346 G351 Q352S344-T348 PolarHBondContact N-OG1 3.3Å; S344-T348 PolarHBondContact O-N 3.06Å; S344-T348 PolarHBondContact O-OG1 3.19Å; P346-T348 VanDerWaalsContact C-N 3.32Å; P346-T348 PolarHBondContact O-N 3.06Å; T348-G351 PolarHBondContact O-N 2.86Å; T348-Q352 WeakPolarHBondContact O-CG 3.24Å; T348-Q352 PolarHBondContact O-N 2.52Å; T348-Q352 VanDerWaalsContact O-N 3.08Å
349I98.5Very high97.9Very high81 Ų8154.9 Ų54.942%0.41530%0.297SS..Hα-helixtrans-72.2-36.4-178.6-172.861.7000111.4Y345 P346 F347 G351 Q352 V353Y345-I349 HydrophobicContact CD2-CG2 4.49Å; Y345-I349 HydrophobicContact CE2-CG2 4.32Å; P346-I349 HydrophobicContact CB-CG2 4.45Å; P346-I349 WeakPolarHBondContact O-CG2 3.49Å; P346-I349 PolarHBondContact O-N 3Å; F347-I349 PolarHBondContact O-N 3.41Å; I349-G351 VanDerWaalsContact C-N 3.35Å; I349-G351 PolarHBondContact O-N 3.24Å; I349-Q352 PolarHBondContact O-N 2.89Å; I349-V353 HydrophobicContact CD1-CG2 4.37Å; I349-V353 HydrophobicContact CG1-CG2 4.42Å; I349-V353 WeakPolarHBondContact O-CG2 3.26Å; I349-V353 PolarHBondContact O-N 2.97Å
350I98.8Very high98Very high54 Ų5457 Ų5728%0.27731%0.31SS..Hα-helixtrans-62.1-45.4174.8-61.2165.5000110.1I334 W337 I338 P346 F347 Q352 V353 A354I334-I350 HydrophobicContact CG2-CG2 4.01Å; W337-I350 HydrophobicContact CH2-CD1 4.47Å; W337-I350 HydrophobicContact CZ3-CG2 4.48Å; I338-I350 HydrophobicContact CD1-CB 3.88Å; I338-I350 HydrophobicContact CD1-CD1 4.36Å; I338-I350 HydrophobicContact CD1-CG2 3.65Å; I338-I350 HydrophobicContact CG1-CB 4.37Å; I338-I350 HydrophobicContact CG1-CG2 3.83Å; P346-I350 HydrophobicContact CB-CD1 4.24Å; P346-I350 HydrophobicContact CG-CD1 4.25Å; P346-I350 WeakPolarHBondContact O-CG1 3.47Å; P346-I350 PolarHBondContact O-N 2.93Å; P346-I350 VanDerWaalsContact O-N 3.15Å; F347-I350 PolarHBondContact O-N 3.46Å; I350-Q352 VanDerWaalsContact C-N 3.34Å; I350-Q352 PolarHBondContact O-N 2.82Å; I350-V353 PolarHBondContact O-N 2.77Å; I350-A354 VanDerWaalsContact O-CB 3.28Å; I350-A354 WeakPolarHBondContact O-CB 3.4Å; I350-A354 PolarHBondContact O-N 2.94Å
351G98.7Very high98.1Very high2 Ų256.1 Ų56.12%0.02130%0.301CS..Hα-helixtrans-59.3-42.8176.800000112.8S283 F347 T348 I349 S355S283-G351 PolarHBondContact OG-O 2.81Å; S283-G351 VanDerWaalsContact OG-O 3.05Å; F347-G351 PolarHBondContact O-N 3.2Å; T348-G351 PolarHBondContact O-N 2.86Å; I349-G351 VanDerWaalsContact C-N 3.35Å; I349-G351 PolarHBondContact O-N 3.24Å; G351-S355 WeakPolarHBondContact O-CB 3.44Å; G351-S355 PolarHBondContact O-N 3.41Å; G351-S355 PolarHBondContact O-OG 3.42Å
352Q98.8Very high98.1Very high67 Ų6754 Ų5431%0.31329%0.291SS..Hα-helixtrans-63.2-48.4176.5-74.6173.9-22.800112.3S283 T348 I349 I350 S355 V356S283-Q352 WeakPolarHBondContact O-CG 3.05Å; S283-Q352 PolarHBondContact O-NE2 2.75Å; S283-Q352 PolarHBondContact OG-N 3.49Å; T348-Q352 WeakPolarHBondContact O-CG 3.24Å; T348-Q352 PolarHBondContact O-N 2.52Å; T348-Q352 VanDerWaalsContact O-N 3.08Å; I349-Q352 PolarHBondContact O-N 2.89Å; I350-Q352 VanDerWaalsContact C-N 3.34Å; I350-Q352 PolarHBondContact O-N 2.82Å; Q352-S355 PolarHBondContact O-N 3.12Å; Q352-V356 WeakPolarHBondContact O-CG2 3.27Å; Q352-V356 PolarHBondContact O-N 2.67Å
353V98.8Very high98.2Very high91 Ų9154.7 Ų54.755%0.55229%0.291SS*.Hα-helixtrans-62.5-45.7178.7172.30000110.9I349 I350 S355 V356 L357I349-V353 HydrophobicContact CD1-CG2 4.37Å; I349-V353 HydrophobicContact CG1-CG2 4.42Å; I349-V353 WeakPolarHBondContact O-CG2 3.26Å; I349-V353 PolarHBondContact O-N 2.97Å; I350-V353 PolarHBondContact O-N 2.77Å; V353-S355 VanDerWaalsContact C-N 3.35Å; V353-S355 PolarHBondContact O-N 3.23Å; V353-V356 PolarHBondContact O-N 3.26Å; V353-L357 WeakPolarHBondContact O-CB 3.38Å; V353-L357 PolarHBondContact O-N 3.42Å
354A98.9Very high98.4Very high4 Ų454.3 Ų54.33%0.03329%0.285CS..Hα-helixtrans-61.8-41.8176.400000111.6D331 I334 L335 I350 V356 L357 Y358D331-A354 VanDerWaalsContact OD1-CA 3.32Å; D331-A354 WeakPolarHBondContact OD1-CA 3.08Å; D331-A354 WeakPolarHBondContact OD1-CB 3.49Å; D331-A354 VanDerWaalsContact OD2-O 3.08Å; I334-A354 HydrophobicContact CG2-CB 4.08Å; L335-A354 HydrophobicContact CD2-CB 3.59Å; L335-A354 HydrophobicContact CG-CB 3.95Å; I350-A354 VanDerWaalsContact O-CB 3.28Å; I350-A354 WeakPolarHBondContact O-CB 3.4Å; I350-A354 PolarHBondContact O-N 2.94Å; A354-V356 VanDerWaalsContact C-N 3.34Å; A354-V356 PolarHBondContact O-N 3.45Å; A354-L357 WeakPolarHBondContact O-CB 3.44Å; A354-L357 PolarHBondContact O-N 2.96Å; A354-L357 VanDerWaalsContact O-N 3.15Å; A354-Y358 PolarHBondContact O-N 2.96Å
355S98.8Very high98.5Very high10 Ų1054.8 Ų54.87%0.0728%0.284CS..Hα-helixtrans-63.5-40.2177.5-56.50000112S283 G351 Q352 V353 F359S283-S355 WeakPolarHBondContact CB-OG 3.22Å; S283-S355 PolarHBondContact OG-OG 3.02Å; G351-S355 WeakPolarHBondContact O-CB 3.44Å; G351-S355 PolarHBondContact O-N 3.41Å; G351-S355 PolarHBondContact O-OG 3.42Å; Q352-S355 PolarHBondContact O-N 3.12Å; V353-S355 VanDerWaalsContact C-N 3.35Å; V353-S355 PolarHBondContact O-N 3.23Å; S355-F359 VanDerWaalsContact O-CD2 3.29Å; S355-F359 WeakPolarHBondContact O-CD2 3.37Å; S355-F359 PolarHBondContact O-N 2.85Å
356V98.8Very high98.6Very high96 Ų9646.3 Ų46.358%0.58225%0.251SS*.Hα-helixtrans-64.9-43.3173.4171.40000110.6Q352 V353 A354 Y358 F359 T360Q352-V356 WeakPolarHBondContact O-CG2 3.27Å; Q352-V356 PolarHBondContact O-N 2.67Å; V353-V356 PolarHBondContact O-N 3.26Å; A354-V356 VanDerWaalsContact C-N 3.34Å; A354-V356 PolarHBondContact O-N 3.45Å; V356-Y358 PolarHBondContact O-N 2.75Å; V356-F359 PolarHBondContact O-N 3.11Å; V356-T360 WeakPolarHBondContact O-CB 3.3Å; V356-T360 PolarHBondContact O-N 2.88Å; V356-T360 PolarHBondContact O-OG1 3.3Å
357L98.8Very high98.6Very high55 Ų5544.5 Ų44.529%0.28824%0.24SC..Hα-helixtrans-61.5-42.3179-176.560.3000111.7L327 D331 V353 A354 T360 T361L327-L357 HydrophobicContact CD1-CD2 4.29Å; L327-L357 HydrophobicContact CD2-CD1 4.36Å; D331-L357 HydrophobicContact CB-CD2 4.24Å; V353-L357 WeakPolarHBondContact O-CB 3.38Å; V353-L357 PolarHBondContact O-N 3.42Å; A354-L357 WeakPolarHBondContact O-CB 3.44Å; A354-L357 PolarHBondContact O-N 2.96Å; A354-L357 VanDerWaalsContact O-N 3.15Å; L357-T360 PolarHBondContact O-N 2.94Å; L357-T361 VanDerWaalsContact O-CB 3.22Å; L357-T361 WeakPolarHBondContact O-CB 3.4Å; L357-T361 PolarHBondContact O-N 2.99Å; L357-T361 PolarHBondContact O-OG1 2.76Å
358Y98.9Very high98.6Very high10 Ų1045.3 Ų45.34%0.03925%0.248CC..Hα-helixtrans-53.4-58.6175.9176-97.7000112.1I280 S297 I300 L328 D331 L332 L335 A354 V356 T361 I362I280-Y358 HydrophobicContact CD1-CD1 3.93Å; I280-Y358 HydrophobicContact CD1-CE1 4.26Å; I280-Y358 HydrophobicContact CD1-CG 4.26Å; S297-Y358 PolarHBondContact O-OH 3.4Å; I300-Y358 HydrophobicContact CG2-CE1 4.15Å; I300-Y358 VanDerWaalsContact CG2-OH 3.27Å; I300-Y358 WeakPolarHBondContact CG2-OH 3.4Å; L328-Y358 HydrophobicContact CD1-CD2 3.66Å; L328-Y358 HydrophobicContact CD1-CE2 3.94Å; D331-Y358 VanDerWaalsContact OD2-CA 3.28Å; D331-Y358 WeakPolarHBondContact OD2-CA 3.07Å; D331-Y358 WeakPolarHBondContact OD2-CB 3.36Å; D331-Y358 PolarHBondContact OD2-N 3.48Å; D331-Y358 VanDerWaalsContact OD2-N 3.1Å; L332-Y358 HydrophobicContact CD2-CD2 4.01Å; L332-Y358 HydrophobicContact CD2-CE2 3.77Å; L332-Y358 HydrophobicContact CG-CD2 4.38Å; L332-Y358 HydrophobicContact CG-CE2 4.3Å; L335-Y358 HydrophobicContact CD1-CD2 4.27Å; L335-Y358 HydrophobicContact CD1-CG 4.31Å; A354-Y358 PolarHBondContact O-N 2.96Å; V356-Y358 PolarHBondContact O-N 2.75Å; Y358-T361 PolarHBondContact O-N 2.95Å; Y358-I362 HydrophobicContact CD1-CD1 4.48Å; Y358-I362 HydrophobicContact CD2-CD1 4.26Å; Y358-I362 HydrophobicContact CE1-CD1 3.93Å; Y358-I362 HydrophobicContact CE2-CD1 3.69Å; Y358-I362 VanDerWaalsContact CZ-CD1 3.49Å; Y358-I362 PolarHBondContact O-N 3.23Å
359F98.8Very high98.7Very high46 Ų4644.2 Ų44.220%0.20224%0.24CC..Hα-helixtrans-67.2-40-178.9-75-72.4000112I280 L296 I300 S355 V356 T361 I362 L363I280-F359 HydrophobicContact CG2-CE2 3.87Å; I280-F359 HydrophobicContact CG2-CZ 4.35Å; L296-F359 HydrophobicContact CB-CE1 4.2Å; L296-F359 HydrophobicContact CB-CZ 4.32Å; I300-F359 HydrophobicContact CD1-CD1 3.71Å; I300-F359 HydrophobicContact CD1-CE1 4.07Å; S355-F359 VanDerWaalsContact O-CD2 3.29Å; S355-F359 WeakPolarHBondContact O-CD2 3.37Å; S355-F359 PolarHBondContact O-N 2.85Å; V356-F359 PolarHBondContact O-N 3.11Å; F359-T361 VanDerWaalsContact C-N 3.34Å; F359-T361 PolarHBondContact O-N 2.91Å; F359-I362 PolarHBondContact O-N 3.03Å; F359-L363 HydrophobicContact CB-CD1 4.44Å; F359-L363 HydrophobicContact CD1-CD1 4.43Å; F359-L363 VanDerWaalsContact O-CB 3.28Å; F359-L363 WeakPolarHBondContact O-CB 3.21Å; F359-L363 WeakPolarHBondContact O-CG 3.26Å; F359-L363 PolarHBondContact O-N 3Å
360T98.8Very high98.6Very high45 Ų4540.6 Ų40.628%0.27622%0.222SC..Hα-helixtrans-64.4-40.3179.4-58.30000111.4V356 L357 I364 L365V356-T360 WeakPolarHBondContact O-CB 3.3Å; V356-T360 PolarHBondContact O-N 2.88Å; V356-T360 PolarHBondContact O-OG1 3.3Å; L357-T360 PolarHBondContact O-N 2.94Å; T360-I364 HydrophobicContact CG2-CB 4.42Å; T360-I364 HydrophobicContact CG2-CD1 4.42Å; T360-I364 WeakPolarHBondContact O-CA 3.21Å; T360-I364 WeakPolarHBondContact O-CB 3.32Å; T360-I364 PolarHBondContact O-N 2.93Å; T360-L365 HydrophobicContact CG2-CD1 4.41Å; T360-L365 HydrophobicContact CG2-CG 4.15Å; T360-L365 PolarHBondContact O-N 2.96Å
361T98.7Very high98.6Very high0 Ų042 Ų420%023%0.23CC..Iπ-helixtrans-62.1-47.4179-60.50000110.9L328 L357 Y358 F359 L365 M366L328-T361 HydrophobicContact CB-CG2 4.13Å; L357-T361 VanDerWaalsContact O-CB 3.22Å; L357-T361 WeakPolarHBondContact O-CB 3.4Å; L357-T361 PolarHBondContact O-N 2.99Å; L357-T361 PolarHBondContact O-OG1 2.76Å; Y358-T361 PolarHBondContact O-N 2.95Å; F359-T361 VanDerWaalsContact C-N 3.34Å; F359-T361 PolarHBondContact O-N 2.91Å; T361-L365 PolarHBondContact O-N 3.35Å; T361-M366 HydrophobicContact CG2-CE 4.2Å; T361-M366 HydrophobicContact CG2-CG 4.41Å; T361-M366 WeakPolarHBondContact O-CB 3.4Å; T361-M366 WeakPolarHBondContact O-CG 3.4Å; T361-M366 PolarHBondContact O-N 3.27Å
362I98.6Very high98.6Very high7 Ų745.8 Ų45.84%0.03625%0.248CC..Iπ-helixtrans-73.4-49.6-177.3-64.6168.1000111.9I300 I304 L307 L328 Y358 F359 P367I300-I362 HydrophobicContact CD1-CB 3.82Å; I300-I362 HydrophobicContact CD1-CD1 3.99Å; I300-I362 HydrophobicContact CD1-CG2 3.54Å; I300-I362 HydrophobicContact CG1-CG2 3.76Å; I300-I362 HydrophobicContact CG2-CD1 4.23Å; I304-I362 HydrophobicContact CD1-CG2 3.44Å; I304-I362 VanDerWaalsContact CD1-CG2 3.44Å; L307-I362 HydrophobicContact CD1-CG2 4.18Å; L328-I362 HydrophobicContact CD1-CD1 4.11Å; L328-I362 HydrophobicContact CD1-CG1 4.11Å; L328-I362 HydrophobicContact CD2-CD1 4.24Å; L328-I362 HydrophobicContact CD2-CG1 3.97Å; Y358-I362 HydrophobicContact CD1-CD1 4.48Å; Y358-I362 HydrophobicContact CD2-CD1 4.26Å; Y358-I362 HydrophobicContact CE1-CD1 3.93Å; Y358-I362 HydrophobicContact CE2-CD1 3.69Å; Y358-I362 VanDerWaalsContact CZ-CD1 3.49Å; Y358-I362 PolarHBondContact O-N 3.23Å; F359-I362 PolarHBondContact O-N 3.03Å; I362-P367 WeakPolarHBondContact O-CD 3.46Å
363L98.6Very high98.6Very high77 Ų7743 Ų4340%0.40324%0.235SC..Iπ-helixtrans-80.7-29.3-170.8-62177.7000113.5I300 L307 F359I300-L363 HydrophobicContact CD1-CD1 4.43Å; I300-L363 HydrophobicContact CD1-CD2 3.77Å; I300-L363 HydrophobicContact CD1-CG 3.89Å; I300-L363 HydrophobicContact CG1-CD2 4.11Å; L307-L363 HydrophobicContact CD1-CD2 3.86Å; F359-L363 HydrophobicContact CB-CD1 4.44Å; F359-L363 HydrophobicContact CD1-CD1 4.43Å; F359-L363 VanDerWaalsContact O-CB 3.28Å; F359-L363 WeakPolarHBondContact O-CB 3.21Å; F359-L363 WeakPolarHBondContact O-CG 3.26Å; F359-L363 PolarHBondContact O-N 3Å
364I98.6Very high98.6Very high95 Ų9539.1 Ų39.149%0.48721%0.212SC..Iπ-helixtrans-121-57.6-169.7-55.3178.1000111.2T360 P367 T368T360-I364 HydrophobicContact CG2-CB 4.42Å; T360-I364 HydrophobicContact CG2-CD1 4.42Å; T360-I364 WeakPolarHBondContact O-CA 3.21Å; T360-I364 WeakPolarHBondContact O-CB 3.32Å; T360-I364 PolarHBondContact O-N 2.93Å; I364-P367 WeakPolarHBondContact O-CD 3.28Å; I364-T368 HydrophobicContact CG2-CG2 4.43Å; I364-T368 WeakPolarHBondContact O-CB 3.21Å; I364-T368 WeakPolarHBondContact O-CG2 3.39Å; I364-T368 PolarHBondContact O-N 3.38Å; I364-T368 VanDerWaalsContact O-N 3.13Å; I364-T368 PolarHBondContact O-OG1 3.16Å
365L98.6Very high98.5Very high56 Ų5646.6 Ų46.629%0.29324%0.243SC..Iπ-helixtrans-68.2-45.4-170.9-57.5178.9000112.3L324 T360 T361 T368 I369L324-L365 HydrophobicContact CD1-CB 3.76Å; L324-L365 HydrophobicContact CD2-CB 4.13Å; L324-L365 HydrophobicContact CD2-CD1 4.18Å; T360-L365 HydrophobicContact CG2-CD1 4.41Å; T360-L365 HydrophobicContact CG2-CG 4.15Å; T360-L365 PolarHBondContact O-N 2.96Å; T361-L365 PolarHBondContact O-N 3.35Å; L365-T368 WeakPolarHBondContact CA-OG1 3.07Å; L365-T368 PolarHBondContact O-N 3.11Å; L365-T368 PolarHBondContact O-OG1 3.04Å; L365-I369 VanDerWaalsContact O-CB 3.31Å; L365-I369 WeakPolarHBondContact O-CB 3.49Å; L365-I369 WeakPolarHBondContact O-CG1 3.23Å; L365-I369 PolarHBondContact O-N 3.27Å
366M98.3Very high98.5Very high25 Ų2552.4 Ų52.412%0.12327%0.271CS..Hα-helixtrans-61.7-49.2-179.5-78.9-175.9175.900113L324 L328 T361 S370L324-M366 HydrophobicContact CB-CG 4.39Å; L324-M366 HydrophobicContact CD1-CG 4.15Å; L328-M366 HydrophobicContact CB-CE 4.28Å; L328-M366 HydrophobicContact CD2-CE 3.78Å; T361-M366 HydrophobicContact CG2-CE 4.2Å; T361-M366 HydrophobicContact CG2-CG 4.41Å; T361-M366 WeakPolarHBondContact O-CB 3.4Å; T361-M366 WeakPolarHBondContact O-CG 3.4Å; T361-M366 PolarHBondContact O-N 3.27Å; M366-S370 WeakPolarHBondContact O-CB 3.29Å; M366-S370 PolarHBondContact O-N 3.48Å; M366-S370 PolarHBondContact O-OG 2.84Å
367P98.3Very high98.4Very high13 Ų1352 Ų528%0.08427%0.265CS..Hα-helixtrans-62.3-42.3175.7-25.134.6000113.2L307 M309 I362 I364 S370 L371L307-P367 HydrophobicContact CB-CG 4.04Å; L307-P367 HydrophobicContact CD2-CG 4.13Å; M309-P367 HydrophobicContact CG-CB 4.06Å; I362-P367 WeakPolarHBondContact O-CD 3.46Å; I364-P367 WeakPolarHBondContact O-CD 3.28Å; P367-S370 WeakPolarHBondContact O-CB 3.27Å; P367-S370 PolarHBondContact O-N 3.41Å; P367-L371 WeakPolarHBondContact O-CG 3.49Å; P367-L371 PolarHBondContact O-N 3.41Å; P367-L371 VanDerWaalsContact O-N 3.11Å
368T98.4Very high98.3Very high61 Ų6158.7 Ų58.737%0.37429%0.292SS..Hα-helixtrans-67.3-44.7-178.7530000112.2I364 L365 S370 L371 I372I364-T368 HydrophobicContact CG2-CG2 4.43Å; I364-T368 WeakPolarHBondContact O-CB 3.21Å; I364-T368 WeakPolarHBondContact O-CG2 3.39Å; I364-T368 PolarHBondContact O-N 3.38Å; I364-T368 VanDerWaalsContact O-N 3.13Å; I364-T368 PolarHBondContact O-OG1 3.16Å; L365-T368 WeakPolarHBondContact CA-OG1 3.07Å; L365-T368 PolarHBondContact O-N 3.11Å; L365-T368 PolarHBondContact O-OG1 3.04Å; T368-S370 VanDerWaalsContact C-N 3.31Å; T368-S370 PolarHBondContact O-N 3.24Å; T368-L371 PolarHBondContact O-N 3.36Å; T368-I372 WeakPolarHBondContact O-CG1 3.42Å; T368-I372 PolarHBondContact O-N 2.81Å
369I98.3Very high98.1Very high33 Ų3363.1 Ų63.117%0.16931%0.309CS..Hα-helixtrans-62.3-39.2174.1-72.2-57.6000111.2L320 L324 L365 L371 I372 E373L320-I369 HydrophobicContact CB-CG2 3.41Å; L320-I369 VanDerWaalsContact CB-CG2 3.41Å; L320-I369 HydrophobicContact CD1-CD1 4.46Å; L320-I369 HydrophobicContact CD1-CG2 4.48Å; L324-I369 HydrophobicContact CD1-CB 3.83Å; L324-I369 HydrophobicContact CD1-CG1 3.51Å; L324-I369 HydrophobicContact CD1-CG2 4.28Å; L324-I369 HydrophobicContact CG-CG1 4.37Å; L365-I369 VanDerWaalsContact O-CB 3.31Å; L365-I369 WeakPolarHBondContact O-CB 3.49Å; L365-I369 WeakPolarHBondContact O-CG1 3.23Å; L365-I369 PolarHBondContact O-N 3.27Å; I369-L371 VanDerWaalsContact C-N 3.3Å; I369-L371 PolarHBondContact O-N 3.16Å; I369-I372 HydrophobicContact CD1-CD1 4.08Å; I369-I372 PolarHBondContact O-N 3.25Å; I369-I372 VanDerWaalsContact O-N 3.15Å; I369-E373 HydrophobicContact CG2-CG 4.26Å; I369-E373 WeakPolarHBondContact O-CG 3.28Å; I369-E373 PolarHBondContact O-N 2.8Å
370S97.8Very high96.7Very high5 Ų567.9 Ų67.94%0.03536%0.357CS..Hα-helixtrans-56.9-43.7174.6-57.50000112R318 M366 P367 T368 N374R318-S370 PolarHBondContact NH2-OG 3.37Å; M366-S370 WeakPolarHBondContact O-CB 3.29Å; M366-S370 PolarHBondContact O-N 3.48Å; M366-S370 PolarHBondContact O-OG 2.84Å; P367-S370 WeakPolarHBondContact O-CB 3.27Å; P367-S370 PolarHBondContact O-N 3.41Å; T368-S370 VanDerWaalsContact C-N 3.31Å; T368-S370 PolarHBondContact O-N 3.24Å; S370-N374 VanDerWaalsContact O-CG 3.24Å; S370-N374 PolarHBondContact O-N 2.89Å; S370-N374 VanDerWaalsContact O-N 3.08Å; S370-N374 PolarHBondContact O-ND2 2.94Å
371L98.3Very high96.6Very high84 Ų8469.1 Ų69.144%0.4436%0.361SS..Hα-helixtrans-67.7-37.3176.8-69172.1000112.5M309 P367 T368 I369 N374 K375M309-L371 HydrophobicContact CB-CD2 3.82Å; M309-L371 HydrophobicContact CB-CG 3.85Å; M309-L371 HydrophobicContact CG-CD2 4.45Å; M309-L371 HydrophobicContact CG-CG 4.36Å; P367-L371 WeakPolarHBondContact O-CG 3.49Å; P367-L371 PolarHBondContact O-N 3.41Å; P367-L371 VanDerWaalsContact O-N 3.11Å; T368-L371 PolarHBondContact O-N 3.36Å; I369-L371 VanDerWaalsContact C-N 3.3Å; I369-L371 PolarHBondContact O-N 3.16Å; L371-N374 PolarHBondContact O-N 3.01Å; L371-K375 WeakPolarHBondContact O-CG 3.36Å; L371-K375 PolarHBondContact O-N 3.36Å; L371-K375 VanDerWaalsContact O-N 3.12Å
372I98.3Very high96.5Very high81 Ų8172.7 Ų72.742%0.41538%0.38SS..Hα-helixtrans-64.3-47.2175.9-70.1163.4000110.3L320 T368 I369 N374 K375 M376L320-I372 HydrophobicContact CD1-CG2 4.42Å; T368-I372 WeakPolarHBondContact O-CG1 3.42Å; T368-I372 PolarHBondContact O-N 2.81Å; I369-I372 HydrophobicContact CD1-CD1 4.08Å; I369-I372 PolarHBondContact O-N 3.25Å; I369-I372 VanDerWaalsContact O-N 3.15Å; I372-N374 VanDerWaalsContact C-N 3.33Å; I372-N374 PolarHBondContact O-N 3.04Å; I372-K375 PolarHBondContact O-N 3.31Å; I372-K375 VanDerWaalsContact O-N 3.11Å; I372-M376 HydrophobicContact CG2-CG 4.35Å; I372-M376 HydrophobicContact CG2-SD 3.98Å; I372-M376 WeakPolarHBondContact O-CG 3.38Å; I372-M376 PolarHBondContact O-N 3.26Å
373E98.4Very high96.4Very high9 Ų976.3 Ų76.34%0.04240%0.399CS..Hα-helixtrans-60.2-41.8177.6-72.7176.8145.800111.6R318 L320 S321 I369 K375 M376 L377R318-E373 VanDerWaalsContact CA-OE1 3.31Å; R318-E373 WeakPolarHBondContact CA-OE1 3.38Å; R318-E373 WeakPolarHBondContact CB-OE1 3.49Å; R318-E373 WeakPolarHBondContact CB-OE2 3.32Å; R318-E373 IonicContact CZ-OE2 3.34Å; R318-E373 IonicContact NE-OE2 2.88Å; R318-E373 PolarHBondContact NE-OE2 2.56Å; R318-E373 IonicContact NH2-OE2 2.85Å; R318-E373 PolarHBondContact NH2-OE2 3.12Å; L320-E373 HydrophobicContact CB-CG 4.25Å; L320-E373 WeakPolarHBondContact CB-OE1 3.45Å; L320-E373 HydrophobicContact CD1-CG 4.23Å; L320-E373 PolarHBondContact N-OE1 3.35Å; S321-E373 PolarHBondContact N-OE1 2.91Å; S321-E373 PolarHBondContact OG-OE2 3.21Å; I369-E373 HydrophobicContact CG2-CG 4.26Å; I369-E373 WeakPolarHBondContact O-CG 3.28Å; I369-E373 PolarHBondContact O-N 2.8Å; E373-K375 VanDerWaalsContact C-N 3.34Å; E373-K375 PolarHBondContact O-N 3.32Å; E373-M376 PolarHBondContact O-N 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.32Å; E373-L377 PolarHBondContact O-N 3.37Å; E373-L377 VanDerWaalsContact O-N 3.09Å
374N98.4Very high96.3Very high10 Ų1076.3 Ų76.35%0.05340%0.398CS..Hα-helixtrans-57-46.8173-69.2-20.2000111.6M309 K311 S370 L371 I372 L377 K378 W379M309-N374 PolarHBondContact O-ND2 3.24Å; K311-N374 PolarHBondContact N-OD1 3.43Å; S370-N374 VanDerWaalsContact O-CG 3.24Å; S370-N374 PolarHBondContact O-N 2.89Å; S370-N374 VanDerWaalsContact O-N 3.08Å; S370-N374 PolarHBondContact O-ND2 2.94Å; L371-N374 PolarHBondContact O-N 3.01Å; I372-N374 VanDerWaalsContact C-N 3.33Å; I372-N374 PolarHBondContact O-N 3.04Å; N374-L377 CarbonylContact O-C 3.5Å; N374-L377 PolarHBondContact O-N 3.24Å; N374-K378 PolarHBondContact O-N 2.85Å; N374-W379 HydrophobicContact CB-CB 4.31Å; N374-W379 PolarHBondContact O-N 3.1Å
375K97.8Very high96.2Very high161 Ų16175.1 Ų75.170%0.739%0.393SS*.Hα-helixtrans-65-38.8178.7-73.1-179.7179.7-177.50112.4L371 I372 E373 L377 K378L371-K375 WeakPolarHBondContact O-CG 3.36Å; L371-K375 PolarHBondContact O-N 3.36Å; L371-K375 VanDerWaalsContact O-N 3.12Å; I372-K375 PolarHBondContact O-N 3.31Å; I372-K375 VanDerWaalsContact O-N 3.11Å; E373-K375 VanDerWaalsContact C-N 3.34Å; E373-K375 PolarHBondContact O-N 3.32Å; K375-L377 PolarHBondContact O-N 3.31Å; K375-K378 PolarHBondContact O-N 2.82Å
376M97.8Very high96Very high132 Ų13276.4 Ų76.465%0.6540%0.399SS*.Hα-helixtrans-60.3-34.1174.9-70.4173.165.900111.8L320 I372 E373 K378L320-M376 HydrophobicContact CD1-SD 4.08Å; I372-M376 HydrophobicContact CG2-CG 4.35Å; I372-M376 HydrophobicContact CG2-SD 3.98Å; I372-M376 WeakPolarHBondContact O-CG 3.38Å; I372-M376 PolarHBondContact O-N 3.26Å; E373-M376 PolarHBondContact O-N 3.32Å; M376-K378 VanDerWaalsContact C-N 3.28Å
377L97.8Very high95.8Very high88 Ų8880.1 Ų80.146%0.46142%0.419SS..THydrogen-bonded Turntrans-85.35.3174.9-64176.2000113.8E373 N374 K375 W379E373-L377 WeakPolarHBondContact O-CG 3.32Å; E373-L377 PolarHBondContact O-N 3.37Å; E373-L377 VanDerWaalsContact O-N 3.09Å; N374-L377 CarbonylContact O-C 3.5Å; N374-L377 PolarHBondContact O-N 3.24Å; K375-L377 PolarHBondContact O-N 3.31Å; L377-W379 HydrophobicContact CB-CD2 4.17Å; L377-W379 HydrophobicContact CB-CE3 4.16Å; L377-W379 HydrophobicContact CD1-CE3 3.88Å; L377-W379 HydrophobicContact CD1-CH2 3.88Å; L377-W379 HydrophobicContact CD1-CZ3 3.52Å; L377-W379 PolarHBondContact O-N 3.15Å
378K96.6Very high95.6Very high194 Ų19485.2 Ų85.284%0.84345%0.445SS*.THydrogen-bonded Turntrans56.731.3-176.3-52.9177.9-178.11770113.1N374 K375 M376N374-K378 PolarHBondContact O-N 2.85Å; K375-K378 PolarHBondContact O-N 2.82Å; M376-K378 VanDerWaalsContact C-N 3.28Å
379W94.1Very high95.4Very high104 Ų10487.3 Ų87.339%0.39445%0.451SS..  trans-81.9135.2169.3-74.7-26.2000110.9K311 Q312 N374 L377K311-W379 HydrophobicContact CB-CD2 4.04Å; K311-W379 HydrophobicContact CB-CE3 3.5Å; K311-W379 VanDerWaalsContact CB-CE3 3.5Å; K311-W379 HydrophobicContact CB-CH2 4.49Å; K311-W379 HydrophobicContact CB-CZ3 3.76Å; K311-W379 HydrophobicContact CG-CB 4.2Å; K311-W379 HydrophobicContact CG-CD2 4.21Å; K311-W379 HydrophobicContact CG-CE3 3.89Å; K311-W379 HydrophobicContact CG-CG 4.4Å; Q312-W379 HydrophobicContact CB-CZ3 4.46Å; Q312-W379 HydrophobicContact CG-CH2 3.42Å; Q312-W379 VanDerWaalsContact CG-CH2 3.42Å; Q312-W379 HydrophobicContact CG-CZ3 3.57Å; N374-W379 HydrophobicContact CB-CB 4.31Å; N374-W379 PolarHBondContact O-N 3.1Å; L377-W379 HydrophobicContact CB-CD2 4.17Å; L377-W379 HydrophobicContact CB-CE3 4.16Å; L377-W379 HydrophobicContact CD1-CE3 3.88Å; L377-W379 HydrophobicContact CD1-CH2 3.88Å; L377-W379 HydrophobicContact CD1-CZ3 3.52Å; L377-W379 PolarHBondContact O-N 3.15Å
380A71.1Confident95.1Very high146 Ų14692.2 Ų92.2100%1.20748%0.476SS*.  trans-72.50-179.900000113K311K311-A380 WeakPolarHBondContact CE-O 3.46Å; K311-A380 PolarHBondContact NZ-O 3.37Å; K311-A380 VanDerWaalsContact NZ-O 3.13Å

Retrieved 380 of 380 residues in 164.7 ms (Link to these results)