A0A087XJB6_POEFO Loading...

Protein VAC14 homolog

Scaffold protein component of the PI(3,5)P2 regulatory complex which regulates both the synthesis and turnover of phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2). Pentamerizes into a star-shaped structure and nucleates the assembly of the complex. The pentamer binds a single copy each of PIKFYVE and FIG4 and coordinates both PIKfyve kinase activity and FIG4 phosphatase activity, being required to maintain normal levels of phosphatidylinositol 3-phosphate (PtdIns(3)P) and phosphatidylinositol 5-phosphate (PtdIns(5)P). Plays a role in the biogenesis of endosome carrier vesicles (ECV) / multivesicular bodies (MVB) transport intermediates from early endosomes.

AlphaFold DB , UniProt , Accession A0A087XJB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 768 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
1M39.4Very low67Low235 Ų235106.5 Ų106.5100%1.15856%0.559SS**  0101.90-83.9176.7159.800106.3T3M1-T3 PolarHBondContact O-N 2.98Å
2N36Very low68.6Low161 Ų161106.8 Ų106.886%0.86157%0.572SS**  trans-77.8110.2168.8-87.2-0.6000107.2
3T45.3Very low70.2Confident128 Ų128106.7 Ų106.779%0.78557%0.572SS**SBendtrans-69.513916540.60000108.7M1M1-T3 PolarHBondContact O-N 2.98Å
4E50.9Low71.7Confident194 Ų19499.9 Ų99.991%0.90754%0.535SS*.  trans91.142.7-178.6-52.9-172.817400117.6
5K61.8Low73Confident110 Ų11094.7 Ų94.748%0.47851%0.508SS..  trans-108117.8145.4-71.2-163.3178.4-164.40108.3F7 E59K5-F7 HydrophobicContact CB-CD2 4.37Å; K5-F7 HydrophobicContact CB-CE1 4.09Å; K5-F7 HydrophobicContact CB-CE2 3.74Å; K5-F7 HydrophobicContact CB-CZ 3.58Å; K5-F7 HydrophobicContact CD-CZ 4.24Å; K5-F7 HydrophobicContact CG-CZ 4.48Å; K5-F7 VanDerWaalsContact O-CD2 3.24Å; K5-F7 WeakPolarHBondContact O-CD2 3.18Å; K5-F7 PolarHBondContact O-N 3.26Å; K5-E59 WeakPolarHBondContact CD-OE2 3.36Å; K5-E59 WeakPolarHBondContact CE-OE2 3.39Å; K5-E59 IonicContact NZ-OE1 2.97Å; K5-E59 PolarHBondContact NZ-OE1 3.18Å; K5-E59 IonicContact NZ-OE2 3.64Å; K5-E59 PolarHBondContact NZ-OE2 2.92Å
6D75Confident74.2Confident135 Ų13599.8 Ų99.872%0.72252%0.518SS*.  trans-71.2114.1170.4-171.33.9000107.9S8D6-S8 WeakPolarHBondContact OD1-CB 3.49Å; D6-S8 PolarHBondContact OD1-N 3.44Å
7F83.4Confident75.2Confident49 Ų4995.2 Ų95.222%0.21550%0.498CS..  trans-997.8178.1-67-67.9000111.9K5 L10 V15 I55 E59 F60K5-F7 HydrophobicContact CB-CD2 4.37Å; K5-F7 HydrophobicContact CB-CE1 4.09Å; K5-F7 HydrophobicContact CB-CE2 3.74Å; K5-F7 HydrophobicContact CB-CZ 3.58Å; K5-F7 HydrophobicContact CD-CZ 4.24Å; K5-F7 HydrophobicContact CG-CZ 4.48Å; K5-F7 VanDerWaalsContact O-CD2 3.24Å; K5-F7 WeakPolarHBondContact O-CD2 3.18Å; K5-F7 PolarHBondContact O-N 3.26Å; F7-L10 WeakPolarHBondContact O-CA 3.44Å; F7-L10 WeakPolarHBondContact O-CB 3.5Å; F7-L10 PolarHBondContact O-N 3.04Å; F7-V15 HydrophobicContact CB-CG2 3.64Å; F7-V15 HydrophobicContact CD2-CG1 4.03Å; F7-V15 HydrophobicContact CD2-CG2 4.12Å; F7-V15 HydrophobicContact CE2-CG1 4.23Å; F7-V15 HydrophobicContact CG-CG2 3.9Å; F7-I55 HydrophobicContact CD1-CG2 3.81Å; F7-E59 HydrophobicContact CE1-CB 3.84Å; F7-E59 HydrophobicContact CE1-CG 4.04Å; F7-F60 HydrophobicContact CD1-CE2 4.11Å; F7-F60 HydrophobicContact CE1-CE2 4.09Å
8S82.3Confident76.2Confident58 Ų5889.9 Ų89.941%0.40647%0.47SS..THydrogen-bonded Turntrans-51.5133.8173.4-174.60000110.4D6 H51 I55D6-S8 WeakPolarHBondContact OD1-CB 3.49Å; D6-S8 PolarHBondContact OD1-N 3.44Å; S8-H51 PolarHBondContact O-CD2 2.97Å; S8-H51 PolarHBondContact O-NE2 3.29Å; S8-H51 VanDerWaalsContact O-NE2 3.07Å; S8-I55 WeakPolarHBondContact O-CD1 3.38Å
9P83.3Confident77Confident24 Ų2488.3 Ų88.316%0.15646%0.462CS..THydrogen-bonded Turncis-90.79.512.237.3-37.8000114.7T11 L36 F40 V52P9-T11 PolarHBondContact O-N 3.33Å; P9-L36 HydrophobicContact CG-CD2 4.5Å; P9-F40 HydrophobicContact CB-CE2 4.11Å; P9-F40 HydrophobicContact CB-CZ 3.86Å; P9-F40 HydrophobicContact CG-CE2 3.75Å; P9-F40 HydrophobicContact CG-CZ 4Å; P9-V52 HydrophobicContact CG-CG2 3.31Å
10L89Confident77.8Confident7 Ų785.8 Ų85.84%0.03745%0.449CS..SBendtrans-72.6126.3175.7-55.9179.3000110.6F7 I14 V15 I33 L36 V52 I55 L56 F60F7-L10 WeakPolarHBondContact O-CA 3.44Å; F7-L10 WeakPolarHBondContact O-CB 3.5Å; F7-L10 PolarHBondContact O-N 3.04Å; L10-I14 HydrophobicContact CB-CG2 4.47Å; L10-I14 HydrophobicContact CD2-CG2 4.28Å; L10-V15 HydrophobicContact CB-CG2 4.06Å; L10-I33 HydrophobicContact CD2-CG1 4.12Å; L10-L36 HydrophobicContact CD2-CD2 4.19Å; L10-V52 HydrophobicContact CD2-CG1 4.17Å; L10-V52 HydrophobicContact CD2-CG2 4.48Å; L10-I55 HydrophobicContact CD1-CG2 3.73Å; L10-L56 HydrophobicContact CD1-CD2 4.02Å; L10-L56 HydrophobicContact CD1-CG 4.37Å; L10-F60 HydrophobicContact CD1-CE2 4.49Å
11T90.2Very high78.4Confident70 Ų7089.3 Ų89.343%0.42946%0.461SS..  trans-67.6152.3177.468.30000111.3P9 N13 I14 V15P9-T11 PolarHBondContact O-N 3.33Å; T11-N13 PolarHBondContact O-N 3.27Å; T11-I14 WeakPolarHBondContact O-CB 3.21Å; T11-I14 PolarHBondContact O-N 3.07Å; T11-I14 WeakPolarHBondContact OG1-CG1 3.35Å; T11-I14 PolarHBondContact OG1-N 3.01Å; T11-V15 PolarHBondContact O-N 3.37Å
12P87.1Confident80.9Confident110 Ų11082.9 Ų82.971%0.71443%0.431SS*.Hα-helixtrans-55.7-28.8176.5-27.235000113.8R16P12-R16 WeakPolarHBondContact O-CB 3.41Å; P12-R16 PolarHBondContact O-N 3.21Å
13N88.9Confident83.5Confident106 Ų10678.9 Ų78.957%0.56740%0.404SS*.Hα-helixtrans-68.2-43.4175.3-76.6-28.4000112.2T11 R16 A17T11-N13 PolarHBondContact O-N 3.27Å; N13-R16 PolarHBondContact O-N 3.23Å; N13-A17 VanDerWaalsContact O-CB 3.27Å; N13-A17 WeakPolarHBondContact O-CB 3.32Å; N13-A17 PolarHBondContact O-N 3.24Å
14I91.7Very high85.7Confident12 Ų1278.5 Ų78.56%0.06239%0.394CS..Hα-helixtrans-61.5-49.9174.5-67.5168.5000109.4L10 T11 R16 A17 L18 A29 E32 I33L10-I14 HydrophobicContact CB-CG2 4.47Å; L10-I14 HydrophobicContact CD2-CG2 4.28Å; T11-I14 WeakPolarHBondContact O-CB 3.21Å; T11-I14 PolarHBondContact O-N 3.07Å; T11-I14 WeakPolarHBondContact OG1-CG1 3.35Å; T11-I14 PolarHBondContact OG1-N 3.01Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 3.29Å; I14-A17 PolarHBondContact O-N 2.8Å; I14-A17 VanDerWaalsContact O-N 3.14Å; I14-L18 HydrophobicContact CG2-CD1 4.1Å; I14-L18 HydrophobicContact CG2-CG 4.23Å; I14-L18 WeakPolarHBondContact O-CG 3.2Å; I14-L18 PolarHBondContact O-N 3.36Å; I14-A29 HydrophobicContact CG2-CB 4.44Å; I14-E32 HydrophobicContact CD1-CB 4.04Å; I14-E32 HydrophobicContact CG1-CB 4.06Å; I14-I33 HydrophobicContact CG2-CD1 3.76Å; I14-I33 HydrophobicContact CG2-CG1 3.66Å
15V91.4Very high87.8Confident21 Ų2174.1 Ų74.113%0.12737%0.372CS..Hα-helixtrans-56.3-46178.8170.30000111.5F7 L10 T11 N19 F60F7-V15 HydrophobicContact CB-CG2 3.64Å; F7-V15 HydrophobicContact CD2-CG1 4.03Å; F7-V15 HydrophobicContact CD2-CG2 4.12Å; F7-V15 HydrophobicContact CE2-CG1 4.23Å; F7-V15 HydrophobicContact CG-CG2 3.9Å; L10-V15 HydrophobicContact CB-CG2 4.06Å; T11-V15 PolarHBondContact O-N 3.37Å; V15-N19 PolarHBondContact O-N 3.27Å; V15-N19 PolarHBondContact O-ND2 3.25Å; V15-F60 HydrophobicContact CB-CZ 4.35Å; V15-F60 HydrophobicContact CG1-CZ 4.03Å; V15-F60 HydrophobicContact CG2-CZ 4.26Å
16R91.1Very high89.3Confident176 Ų17669.3 Ų69.366%0.66435%0.351SS*.Hα-helixtrans-64.4-42.8177.5-176.4177.963.2158.3-3112P12 N13 I14 N19 D20P12-R16 WeakPolarHBondContact O-CB 3.41Å; P12-R16 PolarHBondContact O-N 3.21Å; N13-R16 PolarHBondContact O-N 3.23Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 3.29Å; R16-N19 PolarHBondContact O-N 3.3Å; R16-D20 PolarHBondContact O-N 3.33Å
17A91.8Very high90.2Very high22 Ų2267.1 Ų67.118%0.18234%0.335CS..Hα-helixtrans-71.4-35.1-176.900000112.8N13 I14 N19 D20 R26 A29N13-A17 VanDerWaalsContact O-CB 3.27Å; N13-A17 WeakPolarHBondContact O-CB 3.32Å; N13-A17 PolarHBondContact O-N 3.24Å; I14-A17 PolarHBondContact O-N 2.8Å; I14-A17 VanDerWaalsContact O-N 3.14Å; A17-N19 PolarHBondContact O-N 3.44Å; A17-D20 WeakPolarHBondContact O-CB 3.49Å; A17-D20 PolarHBondContact O-N 3.07Å; A17-D20 VanDerWaalsContact O-N 3.16Å; A17-R26 WeakPolarHBondContact O-CG 3.42Å; A17-A29 HydrophobicContact CB-CB 3.68Å
18L92.2Very high90.8Very high0 Ų068.9 Ų68.90%035%0.349CS..Hα-helixtrans-62-31.8171.7-72.7-179.2000112.9I14 D20 R26 A29 I33 L56 F60 G71 I74I14-L18 HydrophobicContact CG2-CD1 4.1Å; I14-L18 HydrophobicContact CG2-CG 4.23Å; I14-L18 WeakPolarHBondContact O-CG 3.2Å; I14-L18 PolarHBondContact O-N 3.36Å; L18-D20 VanDerWaalsContact C-N 3.32Å; L18-R26 VanDerWaalsContact O-CD 3.31Å; L18-R26 WeakPolarHBondContact O-CD 3.32Å; L18-A29 HydrophobicContact CD2-CB 3.77Å; L18-A29 HydrophobicContact CG-CB 3.98Å; L18-I33 HydrophobicContact CD1-CD1 3.94Å; L18-I33 HydrophobicContact CD2-CD1 4Å; L18-I33 HydrophobicContact CG-CD1 4.32Å; L18-L56 HydrophobicContact CD1-CD2 3.66Å; L18-F60 HydrophobicContact CB-CD1 4.03Å; L18-F60 HydrophobicContact CB-CE1 3.63Å; L18-F60 HydrophobicContact CB-CZ 4.47Å; L18-F60 HydrophobicContact CD1-CD1 4.05Å; L18-F60 HydrophobicContact CD1-CE1 3.76Å; L18-F60 HydrophobicContact CD1-CE2 4.44Å; L18-F60 HydrophobicContact CD1-CG 4.5Å; L18-F60 HydrophobicContact CD1-CZ 3.96Å; L18-F60 HydrophobicContact CG-CE1 4.39Å; L18-G71 WeakPolarHBondContact CD2-O 3.16Å; L18-G71 WeakPolarHBondContact O-CA 3.47Å; L18-I74 HydrophobicContact CD2-CG2 4.45Å
19N92.7Very high91.3Very high59 Ų5966.3 Ų66.332%0.31633%0.331SS..THydrogen-bonded Turntrans-83.5-4.2177.8-75.1-57.9000113.9V15 R16 A17 H67 S68V15-N19 PolarHBondContact O-N 3.27Å; V15-N19 PolarHBondContact O-ND2 3.25Å; R16-N19 PolarHBondContact O-N 3.3Å; A17-N19 PolarHBondContact O-N 3.44Å; N19-H67 WeakPolarHBondContact O-CB 3.41Å; N19-S68 VanDerWaalsContact OD1-CB 3.27Å; N19-S68 WeakPolarHBondContact OD1-CB 3.46Å; N19-S68 PolarHBondContact OD1-OG 3.46Å
20D93.1Very high91.9Very high38 Ų3865.5 Ų65.520%0.20333%0.326CS..  trans-71.7149.7-176.2-161.2-67.5000111.4R16 A17 L18 L22 K25 R26R16-D20 PolarHBondContact O-N 3.33Å; A17-D20 WeakPolarHBondContact O-CB 3.49Å; A17-D20 PolarHBondContact O-N 3.07Å; A17-D20 VanDerWaalsContact O-N 3.16Å; L18-D20 VanDerWaalsContact C-N 3.32Å; D20-L22 VanDerWaalsContact C-N 3.35Å; D20-L22 PolarHBondContact OD1-N 3.44Å; D20-K25 HydrophobicContact CB-CB 4.02Å; D20-K25 HydrophobicContact CB-CD 4.07Å; D20-K25 IonicContact OD1-NZ 3.96Å; D20-K25 WeakPolarHBondContact OD2-CD 3.38Å; D20-K25 IonicContact OD2-NZ 2.79Å; D20-K25 PolarHBondContact OD2-NZ 3.31Å; D20-R26 PolarHBondContact O-NH1 3.21Å
21K90.1Very high92.2Very high160 Ų16069.7 Ų69.770%0.69635%0.348SS*.SBendtrans-68.9-32.6177.7-178.7177.7178-177.70112R26K21-R26 PolarHBondContact O-NH1 3.39Å
22L91.4Very high92.5Very high100 Ų10071 Ų7152%0.52435%0.349SS..SBendtrans-79.6131.3-177-62.8176000111.8D20 E24 K25 R26D20-L22 VanDerWaalsContact C-N 3.35Å; D20-L22 PolarHBondContact OD1-N 3.44Å; L22-E24 PolarHBondContact O-N 3.22Å; L22-K25 HydrophobicContact CB-CD 4.39Å; L22-K25 HydrophobicContact CB-CG 4.39Å; L22-K25 HydrophobicContact CD1-CD 4.27Å; L22-K25 PolarHBondContact O-N 3.13Å; L22-R26 PolarHBondContact O-N 3.42Å
23Y90.2Very high92.9Very high78 Ų7865.7 Ų65.731%0.30632%0.315SS..Hα-helixtrans-59.5-45.2177.4172.9-100.9000112.4K25 R26 K27 I74 Y112Y23-K25 VanDerWaalsContact C-N 3.28Å; Y23-K25 PolarHBondContact O-N 2.99Å; Y23-R26 WeakPolarHBondContact O-CB 3.45Å; Y23-R26 PolarHBondContact O-N 2.6Å; Y23-K27 HydrophobicContact CE1-CD 4.14Å; Y23-K27 PolarHBondContact O-N 2.92Å; Y23-I74 HydrophobicContact CE2-CD1 4.01Å; Y23-Y112 HydrophobicContact CD2-CE1 4.49Å
24E92.5Very high93.2Very high119 Ų11961.8 Ų61.856%0.55629%0.294SS*.Hα-helixtrans-57.2-38.8-179.2-66.8-53.8136.300113.1L22 K27 V28L22-E24 PolarHBondContact O-N 3.22Å; E24-K27 WeakPolarHBondContact O-CB 3.28Å; E24-K27 PolarHBondContact O-N 3.49Å; E24-V28 WeakPolarHBondContact O-CG2 3.39Å; E24-V28 PolarHBondContact O-N 3.42Å
25K93.9Very high93.4Very high102 Ų10266.9 Ų66.944%0.44332%0.315SS..Hα-helixtrans-69.9-38.1177.5-72-178.9177.7-177.60112.4D20 L22 Y23 K27 V28 A29D20-K25 HydrophobicContact CB-CB 4.02Å; D20-K25 HydrophobicContact CB-CD 4.07Å; D20-K25 IonicContact OD1-NZ 3.96Å; D20-K25 WeakPolarHBondContact OD2-CD 3.38Å; D20-K25 IonicContact OD2-NZ 2.79Å; D20-K25 PolarHBondContact OD2-NZ 3.31Å; L22-K25 HydrophobicContact CB-CD 4.39Å; L22-K25 HydrophobicContact CB-CG 4.39Å; L22-K25 HydrophobicContact CD1-CD 4.27Å; L22-K25 PolarHBondContact O-N 3.13Å; Y23-K25 VanDerWaalsContact C-N 3.28Å; Y23-K25 PolarHBondContact O-N 2.99Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-V28 PolarHBondContact O-N 3.48Å; K25-A29 PolarHBondContact O-N 3.31Å; K25-A29 VanDerWaalsContact O-N 3.14Å
26R94.3Very high93.5Very high10 Ų1067.3 Ų67.34%0.03832%0.317CS..Hα-helixtrans-64.9-37.5172.9-65.7-167.4-61.6-87-2.1111.5A17 L18 D20 K21 L22 Y23 A29 A30 I74A17-R26 WeakPolarHBondContact O-CG 3.42Å; L18-R26 VanDerWaalsContact O-CD 3.31Å; L18-R26 WeakPolarHBondContact O-CD 3.32Å; D20-R26 PolarHBondContact O-NH1 3.21Å; K21-R26 PolarHBondContact O-NH1 3.39Å; L22-R26 PolarHBondContact O-N 3.42Å; Y23-R26 WeakPolarHBondContact O-CB 3.45Å; Y23-R26 PolarHBondContact O-N 2.6Å; R26-A29 WeakPolarHBondContact O-CB 3.49Å; R26-A29 PolarHBondContact O-N 2.87Å; R26-A30 PolarHBondContact O-N 2.73Å; R26-I74 HydrophobicContact CB-CG2 4.25Å
27K94.1Very high93.7Very high89 Ų8959 Ų5939%0.38729%0.286SS..Hα-helixtrans-63.7-42175.4-175.4-179.1177-175.50112.3Y23 E24 K25 A29 A30 L31 I74Y23-K27 HydrophobicContact CE1-CD 4.14Å; Y23-K27 PolarHBondContact O-N 2.92Å; E24-K27 WeakPolarHBondContact O-CB 3.28Å; E24-K27 PolarHBondContact O-N 3.49Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K27-A29 VanDerWaalsContact C-N 3.32Å; K27-A29 PolarHBondContact O-N 3.39Å; K27-A30 WeakPolarHBondContact O-CB 3.46Å; K27-A30 PolarHBondContact O-N 3.02Å; K27-L31 WeakPolarHBondContact O-CG 3.36Å; K27-L31 PolarHBondContact O-N 3.08Å; K27-I74 HydrophobicContact CB-CD1 4.24Å
28V94.8Very high93.9Very high86 Ų8664.5 Ų64.552%0.52130%0.302SS..Hα-helixtrans-59.7-44.4172.8172.70000110.9E24 K25 A30 L31 E32E24-V28 WeakPolarHBondContact O-CG2 3.39Å; E24-V28 PolarHBondContact O-N 3.42Å; K25-V28 PolarHBondContact O-N 3.48Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 3.22Å; V28-L31 PolarHBondContact O-N 2.82Å; V28-E32 PolarHBondContact O-N 3.22Å; V28-E32 VanDerWaalsContact O-N 3.16Å
29A94.6Very high94Very high3 Ų368.7 Ų68.73%0.02532%0.321CS..Hα-helixtrans-61.1-39.5175.800000112.5I14 A17 L18 K25 R26 K27 E32 I33I14-A29 HydrophobicContact CG2-CB 4.44Å; A17-A29 HydrophobicContact CB-CB 3.68Å; L18-A29 HydrophobicContact CD2-CB 3.77Å; L18-A29 HydrophobicContact CG-CB 3.98Å; K25-A29 PolarHBondContact O-N 3.31Å; K25-A29 VanDerWaalsContact O-N 3.14Å; R26-A29 WeakPolarHBondContact O-CB 3.49Å; R26-A29 PolarHBondContact O-N 2.87Å; K27-A29 VanDerWaalsContact C-N 3.32Å; K27-A29 PolarHBondContact O-N 3.39Å; A29-E32 PolarHBondContact O-N 3.17Å; A29-I33 VanDerWaalsContact O-CG1 3.31Å; A29-I33 WeakPolarHBondContact O-CG1 3.42Å; A29-I33 PolarHBondContact O-N 2.98Å
30A95.4Very high94Very high7 Ų767 Ų676%0.05831%0.311CS..Hα-helixtrans-62.9-40.5176.800000112.2R26 K27 V28 E32 I33 E34 I74 A78R26-A30 PolarHBondContact O-N 2.73Å; K27-A30 WeakPolarHBondContact O-CB 3.46Å; K27-A30 PolarHBondContact O-N 3.02Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 3.22Å; A30-E32 PolarHBondContact O-N 2.73Å; A30-I33 PolarHBondContact O-N 3.41Å; A30-E34 WeakPolarHBondContact O-CB 3.49Å; A30-E34 PolarHBondContact O-N 3.49Å; A30-I74 HydrophobicContact CB-CD1 4.13Å; A30-I74 HydrophobicContact CB-CG1 3.83Å; A30-I74 HydrophobicContact CB-CG2 4.38Å; A30-A78 HydrophobicContact CB-CB 3.94Å; A30-A78 VanDerWaalsContact O-CB 3.3Å; A30-A78 WeakPolarHBondContact O-CB 3.35Å
31L95.2Very high94Very high95 Ų9566.9 Ų66.950%0.49731%0.312SS..Hα-helixtrans-64.9-36.9175-68.2171.9000112.7K27 V28 E34 K35K27-L31 WeakPolarHBondContact O-CG 3.36Å; K27-L31 PolarHBondContact O-N 3.08Å; V28-L31 PolarHBondContact O-N 2.82Å; L31-E34 WeakPolarHBondContact O-CB 3.37Å; L31-E34 PolarHBondContact O-N 3.09Å; L31-K35 PolarHBondContact O-N 3.26Å
32E95.4Very high94.2Very high97 Ų9763.2 Ų63.245%0.45331%0.312SS..Hα-helixtrans-68.9-38.7174.5-68.2-62.1149.500111.9I14 V28 A29 A30 E34 K35 L36I14-E32 HydrophobicContact CD1-CB 4.04Å; I14-E32 HydrophobicContact CG1-CB 4.06Å; V28-E32 PolarHBondContact O-N 3.22Å; V28-E32 VanDerWaalsContact O-N 3.16Å; A29-E32 PolarHBondContact O-N 3.17Å; A30-E32 PolarHBondContact O-N 2.73Å; E32-E34 VanDerWaalsContact C-N 3.31Å; E32-K35 PolarHBondContact O-N 2.94Å; E32-L36 WeakPolarHBondContact O-CB 3.34Å; E32-L36 PolarHBondContact O-N 3.3Å
33I95.8Very high94.3Very high0 Ų064.3 Ų64.30%031%0.314CS..Hα-helixtrans-61.8-43171.7-68.6164.1000110.3L10 I14 L18 A29 A30 K35 L36 V37 V52 L56 C79L10-I33 HydrophobicContact CD2-CG1 4.12Å; I14-I33 HydrophobicContact CG2-CD1 3.76Å; I14-I33 HydrophobicContact CG2-CG1 3.66Å; L18-I33 HydrophobicContact CD1-CD1 3.94Å; L18-I33 HydrophobicContact CD2-CD1 4Å; L18-I33 HydrophobicContact CG-CD1 4.32Å; A29-I33 VanDerWaalsContact O-CG1 3.31Å; A29-I33 WeakPolarHBondContact O-CG1 3.42Å; A29-I33 PolarHBondContact O-N 2.98Å; A30-I33 PolarHBondContact O-N 3.41Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.07Å; I33-V37 HydrophobicContact CG2-CG2 4.24Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.29Å; I33-V52 HydrophobicContact CG2-CG1 4.41Å; I33-L56 HydrophobicContact CD1-CD1 4.37Å; I33-L56 HydrophobicContact CD1-CD2 4.08Å; I33-L56 HydrophobicContact CG2-CD1 4.13Å; I33-C79 VanDerWaalsContact CG2-SG 3.55Å
34E95.6Very high94.2Very high24 Ų2467.6 Ų67.611%0.11234%0.337CS..Hα-helixtrans-58.8-46178-167.3-175.6158.600111.1A30 L31 E32 V37 R38 A78 I81 A82A30-E34 WeakPolarHBondContact O-CB 3.49Å; A30-E34 PolarHBondContact O-N 3.49Å; L31-E34 WeakPolarHBondContact O-CB 3.37Å; L31-E34 PolarHBondContact O-N 3.09Å; E32-E34 VanDerWaalsContact C-N 3.31Å; E34-V37 PolarHBondContact O-N 3.49Å; E34-R38 VanDerWaalsContact O-CG 3.3Å; E34-R38 WeakPolarHBondContact O-CG 3.37Å; E34-R38 PolarHBondContact O-N 3.38Å; E34-R38 IonicContact OE1-CZ 3.31Å; E34-R38 VanDerWaalsContact OE1-CZ 3.31Å; E34-R38 IonicContact OE1-NE 3.57Å; E34-R38 IonicContact OE1-NH2 2.59Å; E34-R38 PolarHBondContact OE1-NH2 2.83Å; E34-A78 HydrophobicContact CB-CB 4.36Å; E34-I81 HydrophobicContact CG-CG2 4.49Å; E34-I81 WeakPolarHBondContact OE1-CG2 3.48Å; E34-A82 HydrophobicContact CB-CB 4.43Å; E34-A82 HydrophobicContact CG-CB 3.77Å; E34-A82 VanDerWaalsContact O-CB 3.32Å; E34-A82 WeakPolarHBondContact O-CB 3.5Å
35K95.3Very high94.2Very high118 Ų11864 Ų6451%0.51332%0.321SS..Hα-helixtrans-61-47.3175.4-174.5-175.6173.7-168.50111.9L31 E32 I33 V37 R38 E39L31-K35 PolarHBondContact O-N 3.26Å; E32-K35 PolarHBondContact O-N 2.94Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.09Å; K35-V37 PolarHBondContact O-N 3.16Å; K35-R38 PolarHBondContact O-N 3.3Å; K35-E39 WeakPolarHBondContact CE-OE1 3.45Å; K35-E39 WeakPolarHBondContact O-CG 3.43Å; K35-E39 PolarHBondContact O-N 3.43Å
36L94.9Very high94.1Very high31 Ų3161.2 Ų61.216%0.16232%0.315CS..Hα-helixtrans-59-46.4178.9179.266.4000111.9P9 L10 E32 I33 E39 F40 V52P9-L36 HydrophobicContact CG-CD2 4.5Å; L10-L36 HydrophobicContact CD2-CD2 4.19Å; E32-L36 WeakPolarHBondContact O-CB 3.34Å; E32-L36 PolarHBondContact O-N 3.3Å; I33-L36 PolarHBondContact O-N 3.07Å; L36-E39 WeakPolarHBondContact O-CB 3.35Å; L36-E39 PolarHBondContact O-N 3.27Å; L36-F40 HydrophobicContact CD1-CD2 4.48Å; L36-F40 HydrophobicContact CD1-CE1 4.42Å; L36-F40 HydrophobicContact CD1-CE2 3.74Å; L36-F40 HydrophobicContact CD1-CZ 3.7Å; L36-F40 HydrophobicContact CD2-CE2 4.14Å; L36-F40 HydrophobicContact CG-CD2 4.21Å; L36-F40 HydrophobicContact CG-CE2 3.66Å; L36-F40 HydrophobicContact CG-CZ 4.17Å; L36-F40 PolarHBondContact O-N 2.94Å; L36-F40 VanDerWaalsContact O-N 3.08Å; L36-V52 HydrophobicContact CD2-CG2 4.49Å
37V95.4Very high94Very high1 Ų164.9 Ų64.91%0.00634%0.338CS..Hα-helixtrans-66.2-39.2179.1173.80000110.8I33 E34 K35 E39 F40 V41 V52 C79 A82 L83I33-V37 HydrophobicContact CG2-CG2 4.24Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.29Å; E34-V37 PolarHBondContact O-N 3.49Å; K35-V37 PolarHBondContact O-N 3.16Å; V37-E39 VanDerWaalsContact C-N 3.31Å; V37-E39 PolarHBondContact O-N 3.14Å; V37-F40 PolarHBondContact O-N 3.04Å; V37-V41 HydrophobicContact CG1-CG2 4.36Å; V37-V41 VanDerWaalsContact O-CG2 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.5Å; V37-V41 PolarHBondContact O-N 3.41Å; V37-V52 HydrophobicContact CG2-CG1 4.13Å; V37-C79 HydrophobicContact CG2-CB 4.5Å; V37-A82 HydrophobicContact CB-CB 3.64Å; V37-A82 HydrophobicContact CG1-CB 3.6Å; V37-L83 HydrophobicContact CG1-CD2 3.98Å; V37-L83 HydrophobicContact CG1-CG 3.96Å
38R95.1Very high93.9Very high138 Ų13863.4 Ų63.452%0.52133%0.333SS..Hα-helixtrans-60.4-38.7173.5-73.3175.9-173.2-173.40.1112.5E34 K35 V41 A42 A82E34-R38 VanDerWaalsContact O-CG 3.3Å; E34-R38 WeakPolarHBondContact O-CG 3.37Å; E34-R38 PolarHBondContact O-N 3.38Å; E34-R38 IonicContact OE1-CZ 3.31Å; E34-R38 VanDerWaalsContact OE1-CZ 3.31Å; E34-R38 IonicContact OE1-NE 3.57Å; E34-R38 IonicContact OE1-NH2 2.59Å; E34-R38 PolarHBondContact OE1-NH2 2.83Å; K35-R38 PolarHBondContact O-N 3.3Å; R38-V41 PolarHBondContact O-N 3.24Å; R38-A42 WeakPolarHBondContact O-CB 3.22Å; R38-A42 PolarHBondContact O-N 3.45Å; R38-A82 HydrophobicContact CG-CB 3.9Å
39E94.1Very high93.8Very high87 Ų8759.6 Ų59.641%0.40731%0.309SS..Hα-helixtrans-63.8-42.2174.8-71.6173.1-168.200111.4K35 L36 V37 A42 Q43K35-E39 WeakPolarHBondContact CE-OE1 3.45Å; K35-E39 WeakPolarHBondContact O-CG 3.43Å; K35-E39 PolarHBondContact O-N 3.43Å; L36-E39 WeakPolarHBondContact O-CB 3.35Å; L36-E39 PolarHBondContact O-N 3.27Å; V37-E39 VanDerWaalsContact C-N 3.31Å; V37-E39 PolarHBondContact O-N 3.14Å; E39-A42 PolarHBondContact O-N 3.28Å; E39-Q43 VanDerWaalsContact O-CG 3.27Å; E39-Q43 WeakPolarHBondContact O-CG 3.4Å; E39-Q43 PolarHBondContact O-N 3.22Å; E39-Q43 VanDerWaalsContact O-N 3.08Å
40F94Very high93.8Very high23 Ų2365.5 Ų65.510%0.10133%0.331CS..Hα-helixtrans-68.1-35.1175.1-66.3-35.7000113.5P9 L36 V37 Q43 N44 N45 Q48 I49 V52P9-F40 HydrophobicContact CB-CE2 4.11Å; P9-F40 HydrophobicContact CB-CZ 3.86Å; P9-F40 HydrophobicContact CG-CE2 3.75Å; P9-F40 HydrophobicContact CG-CZ 4Å; L36-F40 HydrophobicContact CD1-CD2 4.48Å; L36-F40 HydrophobicContact CD1-CE1 4.42Å; L36-F40 HydrophobicContact CD1-CE2 3.74Å; L36-F40 HydrophobicContact CD1-CZ 3.7Å; L36-F40 HydrophobicContact CD2-CE2 4.14Å; L36-F40 HydrophobicContact CG-CD2 4.21Å; L36-F40 HydrophobicContact CG-CE2 3.66Å; L36-F40 HydrophobicContact CG-CZ 4.17Å; L36-F40 PolarHBondContact O-N 2.94Å; L36-F40 VanDerWaalsContact O-N 3.08Å; V37-F40 PolarHBondContact O-N 3.04Å; F40-Q43 CarbonylContact O-C 3.26Å; F40-Q43 PolarHBondContact O-N 3.23Å; F40-N44 PolarHBondContact O-N 3.45Å; F40-N44 VanDerWaalsContact O-N 3.1Å; F40-N45 HydrophobicContact CB-CB 4.32Å; F40-N45 HydrophobicContact CD1-CB 4.41Å; F40-N45 PolarHBondContact O-N 3.27Å; F40-Q48 HydrophobicContact CD1-CB 4.13Å; F40-Q48 HydrophobicContact CD2-CB 3.87Å; F40-Q48 HydrophobicContact CE1-CB 4.1Å; F40-Q48 HydrophobicContact CE1-CG 4.34Å; F40-Q48 HydrophobicContact CE2-CB 3.82Å; F40-Q48 HydrophobicContact CG-CB 4.03Å; F40-Q48 HydrophobicContact CZ-CB 3.94Å; F40-Q48 HydrophobicContact CZ-CG 4.36Å; F40-I49 HydrophobicContact CB-CD1 4.17Å; F40-I49 HydrophobicContact CB-CG1 3.7Å; F40-V52 HydrophobicContact CE2-CG2 4.19Å
41V92.9Very high93.7Very high36 Ų3669 Ų6922%0.21835%0.346CS..Hα-helixtrans-62-47171.8171.70000110V37 R38 Q43 N44 I49 L83V37-V41 HydrophobicContact CG1-CG2 4.36Å; V37-V41 VanDerWaalsContact O-CG2 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.5Å; V37-V41 PolarHBondContact O-N 3.41Å; R38-V41 PolarHBondContact O-N 3.24Å; V41-Q43 PolarHBondContact O-N 3.11Å; V41-N44 PolarHBondContact O-N 2.86Å; V41-I49 HydrophobicContact CG2-CD1 3.73Å; V41-L83 HydrophobicContact CG2-CD2 3.7Å
42A93.1Very high93.7Very high84 Ų8464.5 Ų64.569%0.69432%0.323SS*.Hα-helixtrans-61.1-27.4177.100000113.2R38 E39R38-A42 WeakPolarHBondContact O-CB 3.22Å; R38-A42 PolarHBondContact O-N 3.45Å; E39-A42 PolarHBondContact O-N 3.28Å
43Q93.3Very high93.7Very high123 Ų12360 Ų6058%0.57530%0.302SS*.THydrogen-bonded Turntrans-90.91.1176-66169.824.700113.6E39 F40 V41 N45E39-Q43 VanDerWaalsContact O-CG 3.27Å; E39-Q43 WeakPolarHBondContact O-CG 3.4Å; E39-Q43 PolarHBondContact O-N 3.22Å; E39-Q43 VanDerWaalsContact O-N 3.08Å; F40-Q43 CarbonylContact O-C 3.26Å; F40-Q43 PolarHBondContact O-N 3.23Å; V41-Q43 PolarHBondContact O-N 3.11Å; Q43-N45 HydrophobicContact CB-CB 4.37Å; Q43-N45 PolarHBondContact O-N 3.35Å
44N89.3Confident93.7Very high146 Ų14666 Ų6678%0.78133%0.329SS*.THydrogen-bonded Turntrans53.530.2-171.8-67.3-57.4000114F40 V41 S46F40-N44 PolarHBondContact O-N 3.45Å; F40-N44 VanDerWaalsContact O-N 3.1Å; V41-N44 PolarHBondContact O-N 2.86Å; N44-S46 PolarHBondContact O-N 3.34Å; N44-S46 VanDerWaalsContact O-N 3.08Å
45N92.3Very high93.6Very high44 Ų4465.3 Ų65.324%0.23533%0.326CS..  trans-88.672-175.4-164.5-16.5000112.1F40 Q43 T47 Q48 I49F40-N45 HydrophobicContact CB-CB 4.32Å; F40-N45 HydrophobicContact CD1-CB 4.41Å; F40-N45 PolarHBondContact O-N 3.27Å; Q43-N45 HydrophobicContact CB-CB 4.37Å; Q43-N45 PolarHBondContact O-N 3.35Å; N45-T47 PolarHBondContact O-N 3.28Å; N45-T47 PolarHBondContact OD1-OG1 3.05Å; N45-Q48 WeakPolarHBondContact ND2-CG 3.25Å; N45-Q48 PolarHBondContact O-N 2.96Å; N45-Q48 WeakPolarHBondContact OD1-CG 3.43Å; N45-Q48 PolarHBondContact OD1-N 3.45Å; N45-I49 WeakPolarHBondContact O-CG1 3.4Å; N45-I49 PolarHBondContact O-N 3.26Å
46S91.3Very high93.6Very high44 Ų4459.7 Ų59.731%0.30830%0.302SS..Hα-helixtrans-59.1-28.9179.659.40000113.8N44 R50 Y90N44-S46 PolarHBondContact O-N 3.34Å; N44-S46 VanDerWaalsContact O-N 3.08Å; S46-R50 WeakPolarHBondContact O-CG 3.3Å; S46-R50 PolarHBondContact O-N 3.42Å; S46-Y90 WeakPolarHBondContact CB-OH 3.15Å
47T91.9Very high93.6Very high87 Ų8758.7 Ų58.753%0.53430%0.299SS..Hα-helixtrans-66.9-45.6179.264.30000112.2N45 R50 H51N45-T47 PolarHBondContact O-N 3.28Å; N45-T47 PolarHBondContact OD1-OG1 3.05Å; T47-R50 PolarHBondContact O-N 3.01Å; T47-H51 WeakPolarHBondContact O-CB 3.38Å; T47-H51 PolarHBondContact O-N 3.21Å
48Q92.1Very high93.4Very high58 Ų5861.3 Ų61.327%0.27132%0.317SS..Hα-helixtrans-70.3-34.9178.3-68.1-61-42.800111.7F40 N45 H51 V52F40-Q48 HydrophobicContact CD1-CB 4.13Å; F40-Q48 HydrophobicContact CD2-CB 3.87Å; F40-Q48 HydrophobicContact CE1-CB 4.1Å; F40-Q48 HydrophobicContact CE1-CG 4.34Å; F40-Q48 HydrophobicContact CE2-CB 3.82Å; F40-Q48 HydrophobicContact CG-CB 4.03Å; F40-Q48 HydrophobicContact CZ-CB 3.94Å; F40-Q48 HydrophobicContact CZ-CG 4.36Å; N45-Q48 WeakPolarHBondContact ND2-CG 3.25Å; N45-Q48 PolarHBondContact O-N 2.96Å; N45-Q48 WeakPolarHBondContact OD1-CG 3.43Å; N45-Q48 PolarHBondContact OD1-N 3.45Å; Q48-H51 PolarHBondContact O-N 3.21Å; Q48-V52 WeakPolarHBondContact O-CG2 3.33Å; Q48-V52 PolarHBondContact O-N 3.19Å
49I93.7Very high93.3Very high5 Ų557.6 Ų57.63%0.02631%0.306CS..Hα-helixtrans-59.7-51.5173.2-65.8168.7000110.7F40 V41 N45 H51 V52 I53 L83 Y90F40-I49 HydrophobicContact CB-CD1 4.17Å; F40-I49 HydrophobicContact CB-CG1 3.7Å; V41-I49 HydrophobicContact CG2-CD1 3.73Å; N45-I49 WeakPolarHBondContact O-CG1 3.4Å; N45-I49 PolarHBondContact O-N 3.26Å; I49-H51 VanDerWaalsContact C-N 3.26Å; I49-H51 PolarHBondContact O-N 2.88Å; I49-V52 PolarHBondContact O-N 3.27Å; I49-I53 HydrophobicContact CG2-CD1 3.95Å; I49-I53 WeakPolarHBondContact O-CG1 3.37Å; I49-I53 PolarHBondContact O-N 3.15Å; I49-L83 HydrophobicContact CD1-CD2 4.17Å; I49-L83 HydrophobicContact CG2-CD1 4.42Å; I49-L83 HydrophobicContact CG2-CD2 3.81Å; I49-Y90 HydrophobicContact CG2-CD1 4.35Å; I49-Y90 HydrophobicContact CG2-CD2 4.44Å; I49-Y90 HydrophobicContact CG2-CE1 3.95Å; I49-Y90 HydrophobicContact CG2-CE2 4.04Å
50R93.8Very high93.3Very high127 Ų12753.6 Ų53.648%0.47929%0.287SS..Hα-helixtrans-59.5-39.6176.3-70-173.7-166.1133.44.1111.6S46 T47 I53 Q54 Y90S46-R50 WeakPolarHBondContact O-CG 3.3Å; S46-R50 PolarHBondContact O-N 3.42Å; T47-R50 PolarHBondContact O-N 3.01Å; R50-I53 PolarHBondContact O-N 3.49Å; R50-Q54 VanDerWaalsContact O-CB 3.28Å; R50-Q54 WeakPolarHBondContact O-CB 3.47Å; R50-Q54 PolarHBondContact O-N 3.01Å; R50-Y90 HydrophobicContact CG-CD1 3.9Å; R50-Y90 HydrophobicContact CG-CE1 3.6Å
51H93.9Very high93.3Very high82 Ų8252.5 Ų52.538%0.3828%0.282SS..Hα-helixtrans-63.4-44.9179-164.442.6000112.1S8 T47 Q48 I49 Q54 I55S8-H51 PolarHBondContact O-CD2 2.97Å; S8-H51 PolarHBondContact O-NE2 3.29Å; S8-H51 VanDerWaalsContact O-NE2 3.07Å; T47-H51 WeakPolarHBondContact O-CB 3.38Å; T47-H51 PolarHBondContact O-N 3.21Å; Q48-H51 PolarHBondContact O-N 3.21Å; I49-H51 VanDerWaalsContact C-N 3.26Å; I49-H51 PolarHBondContact O-N 2.88Å; H51-Q54 PolarHBondContact O-N 3.09Å; H51-I55 VanDerWaalsContact O-CG1 3.31Å; H51-I55 WeakPolarHBondContact O-CG1 3.26Å; H51-I55 PolarHBondContact O-N 3.39Å
52V94.9Very high93.2Very high0 Ų054.6 Ų54.60%029%0.292CS..Hα-helixtrans-58.7-49.9174.2170.40000111.3P9 L10 I33 L36 V37 F40 Q48 I49 Q54 I55 L56P9-V52 HydrophobicContact CG-CG2 3.31Å; L10-V52 HydrophobicContact CD2-CG1 4.17Å; L10-V52 HydrophobicContact CD2-CG2 4.48Å; I33-V52 HydrophobicContact CG2-CG1 4.41Å; L36-V52 HydrophobicContact CD2-CG2 4.49Å; V37-V52 HydrophobicContact CG2-CG1 4.13Å; F40-V52 HydrophobicContact CE2-CG2 4.19Å; Q48-V52 WeakPolarHBondContact O-CG2 3.33Å; Q48-V52 PolarHBondContact O-N 3.19Å; I49-V52 PolarHBondContact O-N 3.27Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 3.1Å; V52-I55 PolarHBondContact O-N 2.98Å; V52-L56 HydrophobicContact CG1-CD1 3.79Å; V52-L56 HydrophobicContact CG1-CG 4.47Å; V52-L56 WeakPolarHBondContact O-CG 3.33Å; V52-L56 PolarHBondContact O-N 3.04Å
53I95.8Very high93.2Very high2 Ų251.7 Ų51.71%0.0127%0.266CS..Hα-helixtrans-58.9-44.9178.9-66.4170.5000110I49 R50 I55 L56 A57 L76 C79 L83 Y90 E93 L94I49-I53 HydrophobicContact CG2-CD1 3.95Å; I49-I53 WeakPolarHBondContact O-CG1 3.37Å; I49-I53 PolarHBondContact O-N 3.15Å; R50-I53 PolarHBondContact O-N 3.49Å; I53-I55 PolarHBondContact O-N 3.11Å; I53-L56 PolarHBondContact O-N 3.23Å; I53-A57 WeakPolarHBondContact O-CB 3.4Å; I53-A57 PolarHBondContact O-N 2.91Å; I53-L76 HydrophobicContact CG2-CD2 4.05Å; I53-C79 HydrophobicContact CG1-CB 4.32Å; I53-L83 HydrophobicContact CD1-CD1 4.2Å; I53-Y90 HydrophobicContact CD1-CD1 4.09Å; I53-Y90 HydrophobicContact CD1-CG 3.94Å; I53-E93 HydrophobicContact CG2-CB 3.74Å; I53-L94 HydrophobicContact CD1-CD2 4.09Å; I53-L94 HydrophobicContact CD1-CG 4.3Å; I53-L94 HydrophobicContact CG1-CD2 4.11Å; I53-L94 HydrophobicContact CG2-CD2 4.02Å; I53-L94 HydrophobicContact CG2-CG 4.4Å
54Q94.5Very high93Very high125 Ų12554 Ų5458%0.58428%0.277SS*.Hα-helixtrans-66.2-39-178.6-172.6138.58.100112.8R50 H51 V52 A57 S58R50-Q54 VanDerWaalsContact O-CB 3.28Å; R50-Q54 WeakPolarHBondContact O-CB 3.47Å; R50-Q54 PolarHBondContact O-N 3.01Å; H51-Q54 PolarHBondContact O-N 3.09Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 3.1Å; Q54-A57 PolarHBondContact O-N 2.99Å; Q54-S58 WeakPolarHBondContact O-CB 3.38Å; Q54-S58 PolarHBondContact O-N 3.25Å; Q54-S58 PolarHBondContact O-OG 2.87Å
55I94.4Very high93Very high10 Ų1053 Ų535%0.05127%0.267CS..Hα-helixtrans-62-49.9173.1-69.6165.7000109.9F7 S8 L10 H51 V52 I53 A57 E59 F60F7-I55 HydrophobicContact CD1-CG2 3.81Å; S8-I55 WeakPolarHBondContact O-CD1 3.38Å; L10-I55 HydrophobicContact CD1-CG2 3.73Å; H51-I55 VanDerWaalsContact O-CG1 3.31Å; H51-I55 WeakPolarHBondContact O-CG1 3.26Å; H51-I55 PolarHBondContact O-N 3.39Å; V52-I55 PolarHBondContact O-N 2.98Å; I53-I55 PolarHBondContact O-N 3.11Å; I55-A57 VanDerWaalsContact C-N 3.29Å; I55-A57 PolarHBondContact O-N 3.08Å; I55-E59 HydrophobicContact CG2-CB 4.43Å; I55-E59 WeakPolarHBondContact O-CA 3.46Å; I55-E59 VanDerWaalsContact O-CB 3.26Å; I55-E59 WeakPolarHBondContact O-CB 3.49Å; I55-E59 PolarHBondContact O-N 3.44Å; I55-F60 HydrophobicContact CG2-CD2 4.28Å; I55-F60 HydrophobicContact CG2-CE2 4.07Å
56L95.6Very high92.8Very high0 Ų053.9 Ų53.90%028%0.275CS..Iπ-helixtrans-63.7-35.5-179.6-67.6169.9000112.5L10 L18 I33 V52 I53 F60 A61 L76 C79L10-L56 HydrophobicContact CD1-CD2 4.02Å; L10-L56 HydrophobicContact CD1-CG 4.37Å; L18-L56 HydrophobicContact CD1-CD2 3.66Å; I33-L56 HydrophobicContact CD1-CD1 4.37Å; I33-L56 HydrophobicContact CD1-CD2 4.08Å; I33-L56 HydrophobicContact CG2-CD1 4.13Å; V52-L56 HydrophobicContact CG1-CD1 3.79Å; V52-L56 HydrophobicContact CG1-CG 4.47Å; V52-L56 WeakPolarHBondContact O-CG 3.33Å; V52-L56 PolarHBondContact O-N 3.04Å; I53-L56 PolarHBondContact O-N 3.23Å; L56-F60 HydrophobicContact CD2-CD2 4.44Å; L56-F60 WeakPolarHBondContact O-CB 3.36Å; L56-A61 WeakPolarHBondContact O-CB 3.38Å; L56-A61 PolarHBondContact O-N 2.87Å; L56-L76 HydrophobicContact CB-CD2 3.84Å; L56-L76 HydrophobicContact CB-CG 4.1Å; L56-C79 WeakPolarHBondContact CD1-SG 3.43Å
57A94.3Very high92.7Very high11 Ų1155.2 Ų55.29%0.09128%0.276CS..Iπ-helixtrans-68.7-60.517600000112.1I53 Q54 I55 A61 L62 L76 P97I53-A57 WeakPolarHBondContact O-CB 3.4Å; I53-A57 PolarHBondContact O-N 2.91Å; Q54-A57 PolarHBondContact O-N 2.99Å; I55-A57 VanDerWaalsContact C-N 3.29Å; I55-A57 PolarHBondContact O-N 3.08Å; A57-A61 WeakPolarHBondContact O-CB 3.34Å; A57-A61 PolarHBondContact O-N 2.77Å; A57-L62 WeakPolarHBondContact O-CG 3.38Å; A57-L62 PolarHBondContact O-N 3.45Å; A57-L76 HydrophobicContact CB-CD2 4.43Å; A57-P97 HydrophobicContact CB-CB 3.98Å; A57-P97 HydrophobicContact CB-CG 3.44Å; A57-P97 VanDerWaalsContact CB-CG 3.44Å
58S92.2Very high92.7Very high56 Ų5651.4 Ų51.439%0.39225%0.253SS..Iπ-helixtrans-80.6-39.7-168.960.40000113.5Q54Q54-S58 WeakPolarHBondContact O-CB 3.38Å; Q54-S58 PolarHBondContact O-N 3.25Å; Q54-S58 PolarHBondContact O-OG 2.87Å
59E92.6Very high92.8Very high60 Ų6050.5 Ų50.528%0.2825%0.247SC..Iπ-helixtrans-92.5-24.2-172.8-63.8-63.4160.200113.4K5 F7 I55 S63K5-E59 WeakPolarHBondContact CD-OE2 3.36Å; K5-E59 WeakPolarHBondContact CE-OE2 3.39Å; K5-E59 IonicContact NZ-OE1 2.97Å; K5-E59 PolarHBondContact NZ-OE1 3.18Å; K5-E59 IonicContact NZ-OE2 3.64Å; K5-E59 PolarHBondContact NZ-OE2 2.92Å; F7-E59 HydrophobicContact CE1-CB 3.84Å; F7-E59 HydrophobicContact CE1-CG 4.04Å; I55-E59 HydrophobicContact CG2-CB 4.43Å; I55-E59 WeakPolarHBondContact O-CA 3.46Å; I55-E59 VanDerWaalsContact O-CB 3.26Å; I55-E59 WeakPolarHBondContact O-CB 3.49Å; I55-E59 PolarHBondContact O-N 3.44Å; E59-S63 WeakPolarHBondContact O-CB 3.47Å
60F93.9Very high92.8Very high3 Ų351.4 Ų51.41%0.01325%0.251CS..Iπ-helixtrans-111.5-65.5-179.2-71.3-98.3000112.4F7 L10 V15 L18 I55 L56 L62 S63 S68 R69 G72F7-F60 HydrophobicContact CD1-CE2 4.11Å; F7-F60 HydrophobicContact CE1-CE2 4.09Å; L10-F60 HydrophobicContact CD1-CE2 4.49Å; V15-F60 HydrophobicContact CB-CZ 4.35Å; V15-F60 HydrophobicContact CG1-CZ 4.03Å; V15-F60 HydrophobicContact CG2-CZ 4.26Å; L18-F60 HydrophobicContact CB-CD1 4.03Å; L18-F60 HydrophobicContact CB-CE1 3.63Å; L18-F60 HydrophobicContact CB-CZ 4.47Å; L18-F60 HydrophobicContact CD1-CD1 4.05Å; L18-F60 HydrophobicContact CD1-CE1 3.76Å; L18-F60 HydrophobicContact CD1-CE2 4.44Å; L18-F60 HydrophobicContact CD1-CG 4.5Å; L18-F60 HydrophobicContact CD1-CZ 3.96Å; L18-F60 HydrophobicContact CG-CE1 4.39Å; I55-F60 HydrophobicContact CG2-CD2 4.28Å; I55-F60 HydrophobicContact CG2-CE2 4.07Å; L56-F60 HydrophobicContact CD2-CD2 4.44Å; L56-F60 WeakPolarHBondContact O-CB 3.36Å; F60-L62 VanDerWaalsContact C-N 3.28Å; F60-L62 PolarHBondContact O-N 3.22Å; F60-S63 WeakPolarHBondContact O-CB 3.49Å; F60-S63 PolarHBondContact O-N 3.32Å; F60-S68 CarbonylContact C-O 3.56Å; F60-S68 CarbonylContact O-C 3.51Å; F60-R69 WeakPolarHBondContact O-CA 3.31Å; F60-R69 PolarHBondContact O-N 3.47Å; F60-G72 VanDerWaalsContact CB-CA 3.48Å
61A93.1Very high92.8Very high0 Ų045.3 Ų45.30%023%0.228CC..Iπ-helixtrans-60.7-36.9-172.800000112.5L56 A57 R69 L76 P97 C101L56-A61 WeakPolarHBondContact O-CB 3.38Å; L56-A61 PolarHBondContact O-N 2.87Å; A57-A61 WeakPolarHBondContact O-CB 3.34Å; A57-A61 PolarHBondContact O-N 2.77Å; A61-R69 WeakPolarHBondContact O-CG 3.22Å; A61-L76 HydrophobicContact CB-CD1 3.95Å; A61-P97 HydrophobicContact CB-CB 4.24Å; A61-C101 PolarHBondContact O-SG 3.41Å
62L92.1Very high92.8Very high80 Ų8041.4 Ų41.442%0.41921%0.21SC..THydrogen-bonded Turntrans-98.415.3176.5-58-179.9000113.8A57 F60 P97 T100A57-L62 WeakPolarHBondContact O-CG 3.38Å; A57-L62 PolarHBondContact O-N 3.45Å; F60-L62 VanDerWaalsContact C-N 3.28Å; F60-L62 PolarHBondContact O-N 3.22Å; L62-P97 HydrophobicContact CG-CB 4.49Å; L62-T100 HydrophobicContact CD2-CG2 3.6Å
63S92.7Very high92.9Very high22 Ų2241.5 Ų41.515%0.15421%0.21CC..  trans-66.6155.6179.3-170.20000112.9E59 F60 H65 R69E59-S63 WeakPolarHBondContact O-CB 3.47Å; F60-S63 WeakPolarHBondContact O-CB 3.49Å; F60-S63 PolarHBondContact O-N 3.32Å; S63-H65 PolarHBondContact O-N 3.43Å; S63-H65 PolarHBondContact OG-N 3Å; S63-R69 WeakPolarHBondContact O-CD 3.28Å; S63-R69 WeakPolarHBondContact O-CG 3.5Å
64Q87.9Confident92.9Very high173 Ų17343 Ų4381%0.80822%0.218SC*.SBendtrans-70.1-17.3169.5-63.2-62.9-25.700112.7
65H89.5Confident93Very high125 Ų12537 Ų3758%0.57919%0.19SC*.SBendtrans-93.2123-174.8-69.7-50.6000112.1S63 H67 S68 R69S63-H65 PolarHBondContact O-N 3.43Å; S63-H65 PolarHBondContact OG-N 3Å; H65-H67 VanDerWaalsContact C-N 3.32Å; H65-H67 PolarHBondContact O-N 3.03Å; H65-S68 WeakPolarHBondContact CB-OG 3.29Å; H65-S68 WeakPolarHBondContact O-CB 3.35Å; H65-S68 PolarHBondContact O-N 3.45Å; H65-S68 VanDerWaalsContact O-N 3.12Å; H65-R69 WeakPolarHBondContact O-CG 3.2Å; H65-R69 PolarHBondContact O-N 3.02Å
66P88.5Confident93.1Very high61 Ų6136.6 Ų36.640%0.39619%0.188SC..Hα-helixtrans-59.4-34.9-175.1-27.935000115.3K70P66-K70 WeakPolarHBondContact O-CG 3.39Å; P66-K70 PolarHBondContact O-N 3.32Å
67H90.4Very high93.2Very high73 Ų7336.8 Ų36.834%0.33819%0.19SC..Hα-helixtrans-73.7-39177.8-62.5-41.3000111.9N19 H65 R69 K70 G71N19-H67 WeakPolarHBondContact O-CB 3.41Å; H65-H67 VanDerWaalsContact C-N 3.32Å; H65-H67 PolarHBondContact O-N 3.03Å; H67-R69 VanDerWaalsContact C-N 3.33Å; H67-R69 PolarHBondContact O-N 3.4Å; H67-K70 PolarHBondContact O-N 2.9Å; H67-G71 PolarHBondContact O-N 3.41Å
68S91.5Very high93.3Very high7 Ų736.5 Ų36.55%0.04919%0.188CC..Hα-helixtrans-60.1-42.5173.5-450000111.3N19 F60 H65 K70 G71 G72N19-S68 VanDerWaalsContact OD1-CB 3.27Å; N19-S68 WeakPolarHBondContact OD1-CB 3.46Å; N19-S68 PolarHBondContact OD1-OG 3.46Å; F60-S68 CarbonylContact C-O 3.56Å; F60-S68 CarbonylContact O-C 3.51Å; H65-S68 WeakPolarHBondContact CB-OG 3.29Å; H65-S68 WeakPolarHBondContact O-CB 3.35Å; H65-S68 PolarHBondContact O-N 3.45Å; H65-S68 VanDerWaalsContact O-N 3.12Å; S68-K70 PolarHBondContact O-N 3.18Å; S68-G71 CarbonylContact O-C 3.55Å; S68-G71 WeakPolarHBondContact O-CA 3.28Å; S68-G71 PolarHBondContact O-N 3.01Å; S68-G71 VanDerWaalsContact O-N 3.15Å; S68-G72 PolarHBondContact O-N 3.28Å
69R93.9Very high93.5Very high38 Ų3833.9 Ų33.914%0.14317%0.169CC..Hα-helixtrans-59.8-45.2174.9-63-169.8-67.8-170.820.5112.6F60 A61 S63 H65 H67 G71 G72 L73 D104 L109F60-R69 WeakPolarHBondContact O-CA 3.31Å; F60-R69 PolarHBondContact O-N 3.47Å; A61-R69 WeakPolarHBondContact O-CG 3.22Å; S63-R69 WeakPolarHBondContact O-CD 3.28Å; S63-R69 WeakPolarHBondContact O-CG 3.5Å; H65-R69 WeakPolarHBondContact O-CG 3.2Å; H65-R69 PolarHBondContact O-N 3.02Å; H67-R69 VanDerWaalsContact C-N 3.33Å; H67-R69 PolarHBondContact O-N 3.4Å; R69-G71 VanDerWaalsContact C-N 3.31Å; R69-G71 PolarHBondContact O-N 2.85Å; R69-G72 PolarHBondContact O-N 3.33Å; R69-L73 WeakPolarHBondContact O-CG 3.39Å; R69-L73 PolarHBondContact O-N 2.91Å; R69-D104 IonicContact CZ-OD1 3.35Å; R69-D104 IonicContact CZ-OD2 2.87Å; R69-D104 IonicContact NE-OD2 3.79Å; R69-D104 IonicContact NH1-OD1 3.24Å; R69-D104 IonicContact NH1-OD2 3.7Å; R69-D104 PolarHBondContact NH1-OD2 3Å; R69-D104 VanDerWaalsContact NH2-CG 3.3Å; R69-D104 IonicContact NH2-OD1 2.83Å; R69-D104 PolarHBondContact NH2-OD1 3.43Å; R69-D104 IonicContact NH2-OD2 3.82Å; R69-D104 PolarHBondContact NH2-OD2 3.32Å; R69-L109 HydrophobicContact CB-CD1 3.64Å; R69-L109 HydrophobicContact CB-CD2 3.92Å; R69-L109 HydrophobicContact CB-CG 4.46Å; R69-L109 HydrophobicContact CG-CD2 4.47Å
70K92.9Very high93.7Very high24 Ų2431 Ų3110%0.10416%0.156CC..Hα-helixtrans-62.6-37.9175.2-68.1171.4-175.9170.90111.8P66 H67 S68 I74 D106 L109 Y112P66-K70 WeakPolarHBondContact O-CG 3.39Å; P66-K70 PolarHBondContact O-N 3.32Å; H67-K70 PolarHBondContact O-N 2.9Å; S68-K70 PolarHBondContact O-N 3.18Å; K70-I74 WeakPolarHBondContact O-CG2 3.38Å; K70-I74 PolarHBondContact O-N 3.27Å; K70-D106 WeakPolarHBondContact CE-OD2 3.44Å; K70-D106 IonicContact NZ-OD2 2.8Å; K70-D106 PolarHBondContact NZ-OD2 3.29Å; K70-L109 HydrophobicContact CB-CD1 4.46Å; K70-L109 HydrophobicContact CG-CD1 3.53Å; K70-Y112 HydrophobicContact CD-CD2 3.97Å; K70-Y112 HydrophobicContact CD-CE2 3.89Å; K70-Y112 HydrophobicContact CG-CD2 3.83Å; K70-Y112 HydrophobicContact CG-CE2 4.22Å
71G93.4Very high93.8Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-64.9-43.2172.500000113.2L18 H67 S68 R69 I74 G75L18-G71 WeakPolarHBondContact CD2-O 3.16Å; L18-G71 WeakPolarHBondContact O-CA 3.47Å; H67-G71 PolarHBondContact O-N 3.41Å; S68-G71 CarbonylContact O-C 3.55Å; S68-G71 WeakPolarHBondContact O-CA 3.28Å; S68-G71 PolarHBondContact O-N 3.01Å; S68-G71 VanDerWaalsContact O-N 3.15Å; R69-G71 VanDerWaalsContact C-N 3.31Å; R69-G71 PolarHBondContact O-N 2.85Å; G71-I74 VanDerWaalsContact O-CG2 3.26Å; G71-I74 WeakPolarHBondContact O-CG2 3.25Å; G71-G75 PolarHBondContact O-N 3.19Å
72G95.4Very high93.9Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-61-47.2177.400000112F60 S68 R69 I74 G75 L76F60-G72 VanDerWaalsContact CB-CA 3.48Å; S68-G72 PolarHBondContact O-N 3.28Å; R69-G72 PolarHBondContact O-N 3.33Å; G72-I74 PolarHBondContact O-N 3.35Å; G72-G75 PolarHBondContact O-N 3.08Å; G72-L76 VanDerWaalsContact O-CG 3.31Å; G72-L76 WeakPolarHBondContact O-CG 3.42Å; G72-L76 PolarHBondContact O-N 3.17Å
73L96.4Very high94Very high1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-59.6-48.5179.2-68.1173.5000112.8R69 G75 L76 A77 V98 C101 L109 A113 A116R69-L73 WeakPolarHBondContact O-CG 3.39Å; R69-L73 PolarHBondContact O-N 2.91Å; L73-G75 VanDerWaalsContact C-N 3.33Å; L73-G75 PolarHBondContact O-N 2.86Å; L73-L76 PolarHBondContact O-N 3.14Å; L73-A77 PolarHBondContact O-N 3.46Å; L73-A77 VanDerWaalsContact O-N 3.11Å; L73-V98 HydrophobicContact CD2-CB 4.21Å; L73-V98 HydrophobicContact CD2-CG1 4.05Å; L73-V98 HydrophobicContact CD2-CG2 3.9Å; L73-C101 HydrophobicContact CD1-CB 4.42Å; L73-C101 HydrophobicContact CD2-CB 4.21Å; L73-L109 HydrophobicContact CD1-CD1 3.6Å; L73-L109 HydrophobicContact CD1-CG 4.03Å; L73-A113 HydrophobicContact CD1-CB 3.96Å; L73-A113 HydrophobicContact CD2-CB 4.14Å; L73-A116 HydrophobicContact CB-CB 4.08Å; L73-A116 HydrophobicContact CD2-CB 4.5Å; L73-A116 WeakPolarHBondContact O-CB 3.5Å
74I95.6Very high94Very high34 Ų3431.2 Ų31.217%0.17416%0.162CC..Hα-helixtrans-68.5-33.1178.1-164.4174.3000112L18 Y23 R26 K27 A30 K70 G71 G72 A78L18-I74 HydrophobicContact CD2-CG2 4.45Å; Y23-I74 HydrophobicContact CE2-CD1 4.01Å; R26-I74 HydrophobicContact CB-CG2 4.25Å; K27-I74 HydrophobicContact CB-CD1 4.24Å; A30-I74 HydrophobicContact CB-CD1 4.13Å; A30-I74 HydrophobicContact CB-CG1 3.83Å; A30-I74 HydrophobicContact CB-CG2 4.38Å; K70-I74 WeakPolarHBondContact O-CG2 3.38Å; K70-I74 PolarHBondContact O-N 3.27Å; G71-I74 VanDerWaalsContact O-CG2 3.26Å; G71-I74 WeakPolarHBondContact O-CG2 3.25Å; G72-I74 PolarHBondContact O-N 3.35Å; I74-A78 WeakPolarHBondContact O-CB 3.33Å; I74-A78 PolarHBondContact O-N 3.4Å
75G96.1Very high94Very high0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-67-43.317500000112.9G71 G72 L73 A78 C79G71-G75 PolarHBondContact O-N 3.19Å; G72-G75 PolarHBondContact O-N 3.08Å; L73-G75 VanDerWaalsContact C-N 3.33Å; L73-G75 PolarHBondContact O-N 2.86Å; G75-A78 PolarHBondContact O-N 3.17Å; G75-C79 PolarHBondContact O-N 3.12Å; G75-C79 PolarHBondContact O-SG 2.94Å
76L97.1Very high94.1Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-63.5-42.5175.7-70.7171.1000111.3I53 L56 A57 A61 G72 L73 A78 C79 S80 L94 P97 V98I53-L76 HydrophobicContact CG2-CD2 4.05Å; L56-L76 HydrophobicContact CB-CD2 3.84Å; L56-L76 HydrophobicContact CB-CG 4.1Å; A57-L76 HydrophobicContact CB-CD2 4.43Å; A61-L76 HydrophobicContact CB-CD1 3.95Å; G72-L76 VanDerWaalsContact O-CG 3.31Å; G72-L76 WeakPolarHBondContact O-CG 3.42Å; G72-L76 PolarHBondContact O-N 3.17Å; L73-L76 PolarHBondContact O-N 3.14Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 2.86Å; L76-C79 WeakPolarHBondContact O-CB 3.48Å; L76-C79 PolarHBondContact O-N 3.48Å; L76-S80 PolarHBondContact O-N 3.08Å; L76-L94 HydrophobicContact CB-CD2 4.43Å; L76-L94 HydrophobicContact CD2-CD2 4.07Å; L76-P97 HydrophobicContact CD1-CB 4.09Å; L76-P97 HydrophobicContact CD1-CG 4.49Å; L76-V98 HydrophobicContact CD1-CG2 3.99Å
77A96.8Very high94.3Very high5 Ų527.5 Ų27.54%0.04114%0.14CC..Hα-helixtrans-60.3-43.8173.700000111.9L73 C79 S80 I81 A116 N119L73-A77 PolarHBondContact O-N 3.46Å; L73-A77 VanDerWaalsContact O-N 3.11Å; A77-C79 PolarHBondContact O-N 3.04Å; A77-S80 WeakPolarHBondContact O-CB 3.25Å; A77-S80 PolarHBondContact O-N 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.3Å; A77-I81 PolarHBondContact O-N 3.09Å; A77-A116 HydrophobicContact CB-CB 4.16Å; A77-N119 HydrophobicContact CB-CB 4.13Å
78A96.8Very high94.3Very high5 Ų525.5 Ų25.54%0.04114%0.138CC..Hα-helixtrans-63.9-37.817600000113A30 E34 I74 G75 L76 S80 I81 A82A30-A78 HydrophobicContact CB-CB 3.94Å; A30-A78 VanDerWaalsContact O-CB 3.3Å; A30-A78 WeakPolarHBondContact O-CB 3.35Å; E34-A78 HydrophobicContact CB-CB 4.36Å; I74-A78 WeakPolarHBondContact O-CB 3.33Å; I74-A78 PolarHBondContact O-N 3.4Å; G75-A78 PolarHBondContact O-N 3.17Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 2.86Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 2.87Å; A78-I81 PolarHBondContact O-N 3Å; A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 2.76Å
79C96.7Very high94.4Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-59.2-46.6171.8-67.10000110.9I33 V37 I53 L56 G75 L76 A77 I81 A82 L83 L94I33-C79 VanDerWaalsContact CG2-SG 3.55Å; V37-C79 HydrophobicContact CG2-CB 4.5Å; I53-C79 HydrophobicContact CG1-CB 4.32Å; L56-C79 WeakPolarHBondContact CD1-SG 3.43Å; G75-C79 PolarHBondContact O-N 3.12Å; G75-C79 PolarHBondContact O-SG 2.94Å; L76-C79 WeakPolarHBondContact O-CB 3.48Å; L76-C79 PolarHBondContact O-N 3.48Å; A77-C79 PolarHBondContact O-N 3.04Å; C79-I81 VanDerWaalsContact C-N 3.35Å; C79-I81 PolarHBondContact O-N 3.39Å; C79-A82 WeakPolarHBondContact O-CB 3.44Å; C79-A82 PolarHBondContact O-N 2.82Å; C79-L83 WeakPolarHBondContact O-CB 3.46Å; C79-L83 WeakPolarHBondContact O-CD1 3.33Å; C79-L83 WeakPolarHBondContact O-CG 3.35Å; C79-L83 PolarHBondContact O-N 3.05Å; C79-L94 HydrophobicContact CB-CD2 4.26Å
80S96.7Very high94.5Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-61.4-42.1177.6-167.40000112.4L76 A77 A78 L83 G84 I120 V123L76-S80 PolarHBondContact O-N 3.08Å; A77-S80 WeakPolarHBondContact O-CB 3.25Å; A77-S80 PolarHBondContact O-N 3.26Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 2.87Å; S80-L83 PolarHBondContact O-N 3.45Å; S80-G84 PolarHBondContact O-N 3.1Å; S80-G84 VanDerWaalsContact O-N 3.15Å; S80-I120 WeakPolarHBondContact OG-CA 3.33Å; S80-V123 WeakPolarHBondContact O-CG1 3.21Å
81I96.1Very high94.6Very high66 Ų6629 Ų2934%0.33816%0.159SC..Hα-helixtrans-62.4-43.2176.8-65.6165.1000110.9E34 A77 A78 C79 L83 G84 V123E34-I81 HydrophobicContact CG-CG2 4.49Å; E34-I81 WeakPolarHBondContact OE1-CG2 3.48Å; A77-I81 WeakPolarHBondContact O-CG1 3.3Å; A77-I81 PolarHBondContact O-N 3.09Å; A78-I81 PolarHBondContact O-N 3Å; C79-I81 VanDerWaalsContact C-N 3.35Å; C79-I81 PolarHBondContact O-N 3.39Å; I81-L83 VanDerWaalsContact C-N 3.34Å; I81-L83 PolarHBondContact O-N 3Å; I81-G84 PolarHBondContact O-N 3.33Å; I81-V123 HydrophobicContact CG1-CG2 4.06Å
82A95.4Very high94.6Very high11 Ų1134.5 Ų34.59%0.09118%0.183CC..Hα-helixtrans-62.6-39.5176.600000113.2E34 V37 R38 A78 C79 G84E34-A82 HydrophobicContact CB-CB 4.43Å; E34-A82 HydrophobicContact CG-CB 3.77Å; E34-A82 VanDerWaalsContact O-CB 3.32Å; E34-A82 WeakPolarHBondContact O-CB 3.5Å; V37-A82 HydrophobicContact CB-CB 3.64Å; V37-A82 HydrophobicContact CG1-CB 3.6Å; R38-A82 HydrophobicContact CG-CB 3.9Å; A78-A82 WeakPolarHBondContact O-CB 3.47Å; A78-A82 PolarHBondContact O-N 2.76Å; C79-A82 WeakPolarHBondContact O-CB 3.44Å; C79-A82 PolarHBondContact O-N 2.82Å; A82-G84 VanDerWaalsContact C-N 3.31Å
83L94.2Very high94.5Very high6 Ų638.2 Ų38.23%0.03120%0.2CC..Hα-helixtrans-71.1-25.9-179.9-69.3165000112.7V37 V41 I49 I53 C79 S80 I81 K85 D86 Y90 L94V37-L83 HydrophobicContact CG1-CD2 3.98Å; V37-L83 HydrophobicContact CG1-CG 3.96Å; V41-L83 HydrophobicContact CG2-CD2 3.7Å; I49-L83 HydrophobicContact CD1-CD2 4.17Å; I49-L83 HydrophobicContact CG2-CD1 4.42Å; I49-L83 HydrophobicContact CG2-CD2 3.81Å; I53-L83 HydrophobicContact CD1-CD1 4.2Å; C79-L83 WeakPolarHBondContact O-CB 3.46Å; C79-L83 WeakPolarHBondContact O-CD1 3.33Å; C79-L83 WeakPolarHBondContact O-CG 3.35Å; C79-L83 PolarHBondContact O-N 3.05Å; S80-L83 PolarHBondContact O-N 3.45Å; I81-L83 VanDerWaalsContact C-N 3.34Å; I81-L83 PolarHBondContact O-N 3Å; L83-K85 PolarHBondContact O-N 3.49Å; L83-D86 WeakPolarHBondContact O-CB 3.2Å; L83-D86 PolarHBondContact O-N 3.27Å; L83-Y90 HydrophobicContact CD1-CD2 3.79Å; L83-Y90 HydrophobicContact CD1-CE2 4.4Å; L83-Y90 HydrophobicContact CD1-CG 4.37Å; L83-Y90 HydrophobicContact CD2-CD2 4.09Å; L83-Y90 HydrophobicContact CD2-CE2 3.86Å; L83-L94 HydrophobicContact CD1-CD1 4.3Å
84G92.8Very high94.5Very high26 Ų2638.1 Ų38.127%0.26820%0.2SC..G310 helixtrans55.7-126-179.100000111.5S80 I81 A82 D86 S87 V123S80-G84 PolarHBondContact O-N 3.1Å; S80-G84 VanDerWaalsContact O-N 3.15Å; I81-G84 PolarHBondContact O-N 3.33Å; A82-G84 VanDerWaalsContact C-N 3.31Å; G84-D86 PolarHBondContact O-N 3.31Å; G84-S87 VanDerWaalsContact O-CB 3.23Å; G84-S87 WeakPolarHBondContact O-CB 3.4Å; G84-S87 PolarHBondContact O-N 2.94Å; G84-S87 PolarHBondContact O-OG 3.39Å; G84-V123 VanDerWaalsContact O-CG1 3.24Å; G84-V123 WeakPolarHBondContact O-CG1 3.44Å
85K87.7Confident94.5Very high199 Ų19936.6 Ų36.687%0.86519%0.192SC*.G310 helixtrans-64.1-27.6178.7-66.1-174.9178.6-177.40113.4L83 S87L83-K85 PolarHBondContact O-N 3.49Å; K85-S87 PolarHBondContact O-N 2.9Å
86D90.7Very high94.4Very high83 Ų8340.7 Ų40.744%0.44421%0.211SC..G310 helixtrans-75.3-7.1179.8-59.6-27.4000112.4L83 G84 G88 L89 Y90L83-D86 WeakPolarHBondContact O-CB 3.2Å; L83-D86 PolarHBondContact O-N 3.27Å; G84-D86 PolarHBondContact O-N 3.31Å; D86-G88 PolarHBondContact O-N 3.17Å; D86-G88 VanDerWaalsContact O-N 3.13Å; D86-L89 PolarHBondContact O-N 3.3Å; D86-L89 VanDerWaalsContact O-N 3.09Å; D86-Y90 WeakPolarHBondContact O-CD2 3.37Å
87S92.8Very high94.3Very high0 Ų041.2 Ų41.20%021%0.214CC..G310 helixtrans-55.7-28.3173.260.20000112.4G84 K85 L89 Y90 L91G84-S87 VanDerWaalsContact O-CB 3.23Å; G84-S87 WeakPolarHBondContact O-CB 3.4Å; G84-S87 PolarHBondContact O-N 2.94Å; G84-S87 PolarHBondContact O-OG 3.39Å; K85-S87 PolarHBondContact O-N 2.9Å; S87-L89 PolarHBondContact O-N 3.04Å; S87-L89 VanDerWaalsContact O-N 3.12Å; S87-Y90 PolarHBondContact O-N 3.01Å; S87-L91 WeakPolarHBondContact O-CD2 3.19Å; S87-L91 WeakPolarHBondContact O-CG 3.18Å; S87-L91 PolarHBondContact O-N 2.97Å
88G91.1Very high94.3Very high30 Ų3041 Ų4131%0.30921%0.212SC..G310 helixtrans-51.4-31.8174.500000114.4D86 Y90D86-G88 PolarHBondContact O-N 3.17Å; D86-G88 VanDerWaalsContact O-N 3.13Å; G88-Y90 VanDerWaalsContact C-N 3.28Å; G88-Y90 PolarHBondContact O-N 3.45Å
89L93.3Very high94.2Very high126 Ų12641.9 Ų41.966%0.6622%0.217SC*.G310 helixtrans-77-12.6-178.1-59.7175.6000114D86 S87D86-L89 PolarHBondContact O-N 3.3Å; D86-L89 VanDerWaalsContact O-N 3.09Å; S87-L89 PolarHBondContact O-N 3.04Å; S87-L89 VanDerWaalsContact O-N 3.12Å
90Y95.8Very high94Very high13 Ų1345.8 Ų45.85%0.05124%0.24CC..G310 helixtrans-128.313.3-171.6-51.6-81.6000112.6S46 I49 R50 I53 L83 D86 S87 G88 K92 E93 L94S46-Y90 WeakPolarHBondContact CB-OH 3.15Å; I49-Y90 HydrophobicContact CG2-CD1 4.35Å; I49-Y90 HydrophobicContact CG2-CD2 4.44Å; I49-Y90 HydrophobicContact CG2-CE1 3.95Å; I49-Y90 HydrophobicContact CG2-CE2 4.04Å; R50-Y90 HydrophobicContact CG-CD1 3.9Å; R50-Y90 HydrophobicContact CG-CE1 3.6Å; I53-Y90 HydrophobicContact CD1-CD1 4.09Å; I53-Y90 HydrophobicContact CD1-CG 3.94Å; L83-Y90 HydrophobicContact CD1-CD2 3.79Å; L83-Y90 HydrophobicContact CD1-CE2 4.4Å; L83-Y90 HydrophobicContact CD1-CG 4.37Å; L83-Y90 HydrophobicContact CD2-CD2 4.09Å; L83-Y90 HydrophobicContact CD2-CE2 3.86Å; D86-Y90 WeakPolarHBondContact O-CD2 3.37Å; S87-Y90 PolarHBondContact O-N 3.01Å; G88-Y90 VanDerWaalsContact C-N 3.28Å; G88-Y90 PolarHBondContact O-N 3.45Å; Y90-K92 VanDerWaalsContact C-N 3.3Å; Y90-K92 PolarHBondContact O-N 3.39Å; Y90-E93 WeakPolarHBondContact CA-OE2 3.33Å; Y90-E93 PolarHBondContact O-N 3.29Å; Y90-L94 WeakPolarHBondContact O-CB 3.35Å; Y90-L94 VanDerWaalsContact O-CG 3.25Å; Y90-L94 WeakPolarHBondContact O-CG 3.34Å; Y90-L94 PolarHBondContact O-N 3.49Å
91L94.9Very high93.9Very high3 Ų346 Ų462%0.01624%0.242CC..Hα-helixtrans-62.5-36-172-70.8179.4000113S87 E93 L94 I95 I120 A124 A127 V128S87-L91 WeakPolarHBondContact O-CD2 3.19Å; S87-L91 WeakPolarHBondContact O-CG 3.18Å; S87-L91 PolarHBondContact O-N 2.97Å; L91-E93 PolarHBondContact O-N 3.03Å; L91-L94 PolarHBondContact O-N 3.31Å; L91-I95 HydrophobicContact CB-CD1 4Å; L91-I95 HydrophobicContact CD2-CD1 4.41Å; L91-I95 WeakPolarHBondContact O-CB 3.49Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 3.22Å; L91-I120 HydrophobicContact CD2-CG2 4.21Å; L91-A124 HydrophobicContact CD1-CB 4.26Å; L91-A124 HydrophobicContact CD2-CB 3.68Å; L91-A127 HydrophobicContact CD1-CB 4.18Å; L91-A127 WeakPolarHBondContact CD1-O 3.35Å; L91-V128 HydrophobicContact CD1-CB 4.46Å; L91-V128 HydrophobicContact CD1-CG2 4.32Å
92K93.9Very high93.8Very high116 Ų11643.1 Ų43.150%0.50423%0.227SC..Hα-helixtrans-59-51177.9-170.8-180178.3-179.20110.9Y90 L94 I95 E96Y90-K92 VanDerWaalsContact C-N 3.3Å; Y90-K92 PolarHBondContact O-N 3.39Å; K92-L94 VanDerWaalsContact C-N 3.31Å; K92-L94 PolarHBondContact O-N 3.27Å; K92-I95 PolarHBondContact O-N 3.17Å; K92-E96 WeakPolarHBondContact CE-OE1 3.18Å; K92-E96 HydrophobicContact CG-CG 4.4Å; K92-E96 VanDerWaalsContact CG-OE1 3.24Å; K92-E96 WeakPolarHBondContact CG-OE1 3.31Å; K92-E96 WeakPolarHBondContact O-CG 3.48Å; K92-E96 PolarHBondContact O-N 2.71Å
93E94.4Very high93.6Very high78 Ų7848.3 Ų48.336%0.36425%0.253SS..Hα-helixtrans-69.7-27.9-179-6089.9159.600112.7I53 Y90 L91 P97I53-E93 HydrophobicContact CG2-CB 3.74Å; Y90-E93 WeakPolarHBondContact CA-OE2 3.33Å; Y90-E93 PolarHBondContact O-N 3.29Å; L91-E93 PolarHBondContact O-N 3.03Å; E93-P97 WeakPolarHBondContact O-CD 3.46Å; E93-P97 VanDerWaalsContact O-CG 3.26Å; E93-P97 WeakPolarHBondContact O-CG 3.36Å
94L95.6Very high93.5Very high0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-79.6-38.8176.9-70.5169.4000112.7I53 L76 C79 L83 Y90 L91 K92 V98 I120I53-L94 HydrophobicContact CD1-CD2 4.09Å; I53-L94 HydrophobicContact CD1-CG 4.3Å; I53-L94 HydrophobicContact CG1-CD2 4.11Å; I53-L94 HydrophobicContact CG2-CD2 4.02Å; I53-L94 HydrophobicContact CG2-CG 4.4Å; L76-L94 HydrophobicContact CB-CD2 4.43Å; L76-L94 HydrophobicContact CD2-CD2 4.07Å; C79-L94 HydrophobicContact CB-CD2 4.26Å; L83-L94 HydrophobicContact CD1-CD1 4.3Å; Y90-L94 WeakPolarHBondContact O-CB 3.35Å; Y90-L94 VanDerWaalsContact O-CG 3.25Å; Y90-L94 WeakPolarHBondContact O-CG 3.34Å; Y90-L94 PolarHBondContact O-N 3.49Å; L91-L94 PolarHBondContact O-N 3.31Å; K92-L94 VanDerWaalsContact C-N 3.31Å; K92-L94 PolarHBondContact O-N 3.27Å; L94-V98 VanDerWaalsContact O-CG2 3.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; L94-I120 HydrophobicContact CB-CD1 4.35Å; L94-I120 HydrophobicContact CB-CG2 4.43Å
95I95.7Very high93.4Very high1 Ų153.2 Ų53.21%0.00528%0.282CS..Hα-helixtrans-84.2-47.6-171.4-67.8170.1000111.9L91 K92 V98 L99 L117 I120 V128 H131 L135L91-I95 HydrophobicContact CB-CD1 4Å; L91-I95 HydrophobicContact CD2-CD1 4.41Å; L91-I95 WeakPolarHBondContact O-CB 3.49Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 3.22Å; K92-I95 PolarHBondContact O-N 3.17Å; I95-V98 PolarHBondContact O-N 3.01Å; I95-V98 VanDerWaalsContact O-N 3.07Å; I95-L99 HydrophobicContact CG2-CD1 3.52Å; I95-L99 HydrophobicContact CG2-CG 3.74Å; I95-L99 PolarHBondContact O-N 3.17Å; I95-L117 HydrophobicContact CG1-CD1 4.06Å; I95-L117 HydrophobicContact CG2-CD1 4.25Å; I95-I120 HydrophobicContact CG1-CG2 4.26Å; I95-V128 HydrophobicContact CD1-CG2 3.75Å; I95-H131 HydrophobicContact CD1-CB 4.06Å; I95-L135 HydrophobicContact CD1-CD2 4.36Å; I95-L135 HydrophobicContact CG2-CD2 3.81Å
96E95Very high93.6Very high87 Ų8745.8 Ų45.841%0.40725%0.252SS..Hα-helixtrans-56.2-43.6-173.1-71.4178.1-178.900114.1K92 V98 L99 T100K92-E96 WeakPolarHBondContact CE-OE1 3.18Å; K92-E96 HydrophobicContact CG-CG 4.4Å; K92-E96 VanDerWaalsContact CG-OE1 3.24Å; K92-E96 WeakPolarHBondContact CG-OE1 3.31Å; K92-E96 WeakPolarHBondContact O-CG 3.48Å; K92-E96 PolarHBondContact O-N 2.71Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 3.39Å; E96-L99 PolarHBondContact O-N 2.82Å; E96-T100 PolarHBondContact O-N 2.89Å; E96-T100 PolarHBondContact O-OG1 3.33Å
97P94.6Very high93.7Very high10 Ų1043.3 Ų43.37%0.06524%0.241CC..Hα-helixtrans-66.3-34.6177.7-18.732.2000112.5A57 A61 L62 L76 E93 T100 C101A57-P97 HydrophobicContact CB-CB 3.98Å; A57-P97 HydrophobicContact CB-CG 3.44Å; A57-P97 VanDerWaalsContact CB-CG 3.44Å; A61-P97 HydrophobicContact CB-CB 4.24Å; L62-P97 HydrophobicContact CG-CB 4.49Å; L76-P97 HydrophobicContact CD1-CB 4.09Å; L76-P97 HydrophobicContact CD1-CG 4.49Å; E93-P97 WeakPolarHBondContact O-CD 3.46Å; E93-P97 VanDerWaalsContact O-CG 3.26Å; E93-P97 WeakPolarHBondContact O-CG 3.36Å; P97-T100 PolarHBondContact O-N 3.39Å; P97-C101 PolarHBondContact O-N 2.99Å; P97-C101 PolarHBondContact O-SG 3.04Å
98V95.9Very high93.7Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-71.1-43178.9-179.30000110.5L73 L76 L94 I95 E96 T100 C101 F102 A113 A116 L117 I120L73-V98 HydrophobicContact CD2-CB 4.21Å; L73-V98 HydrophobicContact CD2-CG1 4.05Å; L73-V98 HydrophobicContact CD2-CG2 3.9Å; L76-V98 HydrophobicContact CD1-CG2 3.99Å; L94-V98 VanDerWaalsContact O-CG2 3.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.39Å; I95-V98 PolarHBondContact O-N 3.01Å; I95-V98 VanDerWaalsContact O-N 3.07Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 3.39Å; V98-T100 VanDerWaalsContact C-N 3.28Å; V98-T100 PolarHBondContact O-N 3.23Å; V98-C101 WeakPolarHBondContact O-CB 3.46Å; V98-C101 PolarHBondContact O-N 3.34Å; V98-C101 VanDerWaalsContact O-N 3.1Å; V98-F102 HydrophobicContact CG1-CE1 4.3Å; V98-F102 WeakPolarHBondContact O-CD1 3.28Å; V98-A113 HydrophobicContact CG1-CB 4.05Å; V98-A113 VanDerWaalsContact CG1-O 3.25Å; V98-A113 WeakPolarHBondContact CG1-O 3.46Å; V98-A116 HydrophobicContact CG1-CB 4.34Å; V98-L117 HydrophobicContact CG1-CB 3.83Å; V98-I120 HydrophobicContact CG2-CD1 4.04Å
99L94.6Very high93.8Very high25 Ų2550.2 Ų50.213%0.13126%0.257CS..Hα-helixtrans-62-35.5175.2-70.7-178.4000112.2I95 E96 C101 F102 L117 L134I95-L99 HydrophobicContact CG2-CD1 3.52Å; I95-L99 HydrophobicContact CG2-CG 3.74Å; I95-L99 PolarHBondContact O-N 3.17Å; E96-L99 PolarHBondContact O-N 2.82Å; L99-C101 PolarHBondContact O-N 3.07Å; L99-F102 HydrophobicContact CD2-CD2 3.77Å; L99-F102 HydrophobicContact CD2-CE2 3.48Å; L99-F102 VanDerWaalsContact CD2-CE2 3.48Å; L99-F102 HydrophobicContact CD2-CZ 4.11Å; L99-F102 VanDerWaalsContact O-CB 3.25Å; L99-F102 WeakPolarHBondContact O-CB 3.44Å; L99-F102 PolarHBondContact O-N 3.3Å; L99-L117 HydrophobicContact CD2-CD2 3.7Å; L99-L134 HydrophobicContact CD1-CB 3.91Å
100T93.4Very high93.9Very high81 Ų8145.4 Ų45.450%0.49723%0.231SC..Hα-helixtrans-60.1-37.7175.3-56.70000111.3L62 E96 P97 V98 F102 N103L62-T100 HydrophobicContact CD2-CG2 3.6Å; E96-T100 PolarHBondContact O-N 2.89Å; E96-T100 PolarHBondContact O-OG1 3.33Å; P97-T100 PolarHBondContact O-N 3.39Å; V98-T100 VanDerWaalsContact C-N 3.28Å; V98-T100 PolarHBondContact O-N 3.23Å; T100-F102 PolarHBondContact O-N 3.43Å; T100-N103 PolarHBondContact O-N 2.99Å
101C93.6Very high93.8Very high4 Ų448.9 Ų48.93%0.02724%0.244CC..G310 helixtrans-68.4-11.5176.3-67.30000114.2A61 L73 P97 V98 L99 N103 D104 L109 A113A61-C101 PolarHBondContact O-SG 3.41Å; L73-C101 HydrophobicContact CD1-CB 4.42Å; L73-C101 HydrophobicContact CD2-CB 4.21Å; P97-C101 PolarHBondContact O-N 2.99Å; P97-C101 PolarHBondContact O-SG 3.04Å; V98-C101 WeakPolarHBondContact O-CB 3.46Å; V98-C101 PolarHBondContact O-N 3.34Å; V98-C101 VanDerWaalsContact O-N 3.1Å; L99-C101 PolarHBondContact O-N 3.07Å; C101-N103 PolarHBondContact O-N 3Å; C101-D104 WeakPolarHBondContact O-CB 3.42Å; C101-D104 PolarHBondContact O-N 3.31Å; C101-L109 HydrophobicContact CB-CD2 4.42Å; C101-A113 HydrophobicContact CB-CB 3.8Å
102F93.7Very high93.8Very high7 Ų751.6 Ų51.63%0.03126%0.255CS..G310 helixtrans-68.2-21.8175-71.62.2000112.7V98 L99 T100 R110 A113 L117 L142V98-F102 HydrophobicContact CG1-CE1 4.3Å; V98-F102 WeakPolarHBondContact O-CD1 3.28Å; L99-F102 HydrophobicContact CD2-CD2 3.77Å; L99-F102 HydrophobicContact CD2-CE2 3.48Å; L99-F102 VanDerWaalsContact CD2-CE2 3.48Å; L99-F102 HydrophobicContact CD2-CZ 4.11Å; L99-F102 VanDerWaalsContact O-CB 3.25Å; L99-F102 WeakPolarHBondContact O-CB 3.44Å; L99-F102 PolarHBondContact O-N 3.3Å; T100-F102 PolarHBondContact O-N 3.43Å; F102-R110 WeakPolarHBondContact O-CD 3.4Å; F102-A113 HydrophobicContact CD1-CB 3.62Å; F102-A113 HydrophobicContact CE1-CB 3.61Å; F102-L117 HydrophobicContact CE1-CD2 4.31Å; F102-L117 HydrophobicContact CE2-CD2 3.88Å; F102-L117 HydrophobicContact CZ-CB 4.33Å; F102-L117 HydrophobicContact CZ-CD2 3.4Å; F102-L142 HydrophobicContact CB-CD1 4.35Å; F102-L142 HydrophobicContact CB-CD2 4.04Å; F102-L142 HydrophobicContact CB-CG 4.29Å; F102-L142 HydrophobicContact CD1-CD1 3.87Å; F102-L142 HydrophobicContact CD2-CD1 3.35Å; F102-L142 HydrophobicContact CD2-CD2 4.48Å; F102-L142 HydrophobicContact CD2-CG 3.86Å; F102-L142 HydrophobicContact CE1-CD1 3.82Å; F102-L142 HydrophobicContact CE2-CD1 3.29Å; F102-L142 HydrophobicContact CE2-CG 4.24Å; F102-L142 HydrophobicContact CG-CD1 3.62Å; F102-L142 HydrophobicContact CG-CD2 4.19Å; F102-L142 HydrophobicContact CG-CG 4.07Å; F102-L142 HydrophobicContact CZ-CD1 3.51Å
103N91.1Very high93.8Very high119 Ų11946.1 Ų46.164%0.63623%0.231SC*.G310 helixtrans-96.312.4177.5-58.6-58.5000112.5T100 C101T100-N103 PolarHBondContact O-N 2.99Å; C101-N103 PolarHBondContact O-N 3Å
104D92.4Very high93.9Very high22 Ų2242.4 Ų42.412%0.11821%0.213CC..  trans-69.7145.1-177.5-157.8-89.2000112.5R69 C101 D106 L109 R110R69-D104 IonicContact CZ-OD1 3.35Å; R69-D104 IonicContact CZ-OD2 2.87Å; R69-D104 IonicContact NE-OD2 3.79Å; R69-D104 IonicContact NH1-OD1 3.24Å; R69-D104 IonicContact NH1-OD2 3.7Å; R69-D104 PolarHBondContact NH1-OD2 3Å; R69-D104 VanDerWaalsContact NH2-CG 3.3Å; R69-D104 IonicContact NH2-OD1 2.83Å; R69-D104 PolarHBondContact NH2-OD1 3.43Å; R69-D104 IonicContact NH2-OD2 3.82Å; R69-D104 PolarHBondContact NH2-OD2 3.32Å; C101-D104 WeakPolarHBondContact O-CB 3.42Å; C101-D104 PolarHBondContact O-N 3.31Å; D104-D106 VanDerWaalsContact C-N 3.3Å; D104-D106 PolarHBondContact O-N 2.98Å; D104-D106 WeakPolarHBondContact OD1-CB 3.48Å; D104-D106 PolarHBondContact OD1-N 3.29Å; D104-L109 HydrophobicContact CB-CB 4.39Å; D104-L109 HydrophobicContact CB-CD2 3.74Å; D104-L109 HydrophobicContact CB-CG 4.5Å; D104-L109 WeakPolarHBondContact OD2-CD2 3.15Å; D104-R110 HydrophobicContact CB-CG 4.22Å; D104-R110 VanDerWaalsContact O-CD 3.28Å; D104-R110 WeakPolarHBondContact O-CD 3.5Å; D104-R110 WeakPolarHBondContact O-CG 3.3Å; D104-R110 PolarHBondContact O-NH1 3.03Å
105S90.7Very high93.8Very high113 Ų11345.7 Ų45.779%0.7923%0.229SC*.SBendtrans-59.9-34.1172.960.40000114.1S107 R110S105-S107 PolarHBondContact O-N 2.83Å; S105-R110 PolarHBondContact O-NH1 2.89Å
106D92Very high93.8Very high44 Ų4445.9 Ų45.924%0.23523%0.23CC..  trans-81.1111.8-179.6-179.54.4000110.8K70 D104 R108 L109 R110K70-D106 WeakPolarHBondContact CE-OD2 3.44Å; K70-D106 IonicContact NZ-OD2 2.8Å; K70-D106 PolarHBondContact NZ-OD2 3.29Å; D104-D106 VanDerWaalsContact C-N 3.3Å; D104-D106 PolarHBondContact O-N 2.98Å; D104-D106 WeakPolarHBondContact OD1-CB 3.48Å; D104-D106 PolarHBondContact OD1-N 3.29Å; D106-R108 PolarHBondContact O-N 3.41Å; D106-R108 WeakPolarHBondContact OD1-CB 3.42Å; D106-R108 PolarHBondContact OD1-N 2.93Å; D106-L109 HydrophobicContact CB-CB 4.04Å; D106-L109 WeakPolarHBondContact O-CB 3.49Å; D106-L109 PolarHBondContact O-N 2.74Å; D106-R110 PolarHBondContact O-N 3.14Å; D106-R110 VanDerWaalsContact O-N 3.09Å
107S93.8Very high93.9Very high30 Ų3041.7 Ų41.721%0.2121%0.211CC..Hα-helixtrans-60.7-29.9178.768.20000113.1S105 L109 R110 Y111 D147 V150S105-S107 PolarHBondContact O-N 2.83Å; S107-L109 VanDerWaalsContact C-N 3.31Å; S107-L109 PolarHBondContact O-N 3.24Å; S107-R110 PolarHBondContact O-N 3.22Å; S107-Y111 WeakPolarHBondContact O-CB 3.32Å; S107-Y111 PolarHBondContact O-N 3.38Å; S107-D147 WeakPolarHBondContact CB-OD2 3.37Å; S107-D147 PolarHBondContact OG-OD2 3.07Å; S107-V150 WeakPolarHBondContact O-CG2 3.28Å
108R91.9Very high94Very high175 Ų17544.4 Ų44.466%0.6622%0.22SC*.Hα-helixtrans-67.6-35.3174.6-62180179175.80.4111.3D106 Y112D106-R108 PolarHBondContact O-N 3.41Å; D106-R108 WeakPolarHBondContact OD1-CB 3.42Å; D106-R108 PolarHBondContact OD1-N 2.93Å; R108-Y112 HydrophobicContact CB-CE2 4.46Å; R108-Y112 WeakPolarHBondContact O-CD2 3.42Å; R108-Y112 PolarHBondContact O-N 3.45Å
109L93.2Very high94Very high0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-69.6-43176.2-168.875.5000110.7R69 K70 L73 C101 D104 D106 S107 Y111 Y112 A113R69-L109 HydrophobicContact CB-CD1 3.64Å; R69-L109 HydrophobicContact CB-CD2 3.92Å; R69-L109 HydrophobicContact CB-CG 4.46Å; R69-L109 HydrophobicContact CG-CD2 4.47Å; K70-L109 HydrophobicContact CB-CD1 4.46Å; K70-L109 HydrophobicContact CG-CD1 3.53Å; L73-L109 HydrophobicContact CD1-CD1 3.6Å; L73-L109 HydrophobicContact CD1-CG 4.03Å; C101-L109 HydrophobicContact CB-CD2 4.42Å; D104-L109 HydrophobicContact CB-CB 4.39Å; D104-L109 HydrophobicContact CB-CD2 3.74Å; D104-L109 HydrophobicContact CB-CG 4.5Å; D104-L109 WeakPolarHBondContact OD2-CD2 3.15Å; D106-L109 HydrophobicContact CB-CB 4.04Å; D106-L109 WeakPolarHBondContact O-CB 3.49Å; D106-L109 PolarHBondContact O-N 2.74Å; S107-L109 VanDerWaalsContact C-N 3.31Å; S107-L109 PolarHBondContact O-N 3.24Å; L109-Y111 VanDerWaalsContact C-N 3.3Å; L109-Y111 PolarHBondContact O-N 3.38Å; L109-Y112 PolarHBondContact O-N 3.41Å; L109-A113 WeakPolarHBondContact O-CB 3.5Å; L109-A113 PolarHBondContact O-N 3.13Å
110R95.1Very high94.1Very high25 Ų2545.2 Ų45.29%0.09423%0.225CC..Hα-helixtrans-56.8-44.8173.5-60.9-163-60.4-86.46.3111.4F102 D104 S105 D106 S107 A113 C114 D145 V150F102-R110 WeakPolarHBondContact O-CD 3.4Å; D104-R110 HydrophobicContact CB-CG 4.22Å; D104-R110 VanDerWaalsContact O-CD 3.28Å; D104-R110 WeakPolarHBondContact O-CD 3.5Å; D104-R110 WeakPolarHBondContact O-CG 3.3Å; D104-R110 PolarHBondContact O-NH1 3.03Å; S105-R110 PolarHBondContact O-NH1 2.89Å; D106-R110 PolarHBondContact O-N 3.14Å; D106-R110 VanDerWaalsContact O-N 3.09Å; S107-R110 PolarHBondContact O-N 3.22Å; R110-A113 WeakPolarHBondContact O-CB 3.49Å; R110-A113 PolarHBondContact O-N 2.99Å; R110-A113 VanDerWaalsContact O-N 3.17Å; R110-C114 PolarHBondContact O-N 3.35Å; R110-C114 PolarHBondContact O-SG 3.39Å; R110-D145 IonicContact CZ-OD1 2.85Å; R110-D145 IonicContact CZ-OD2 3.27Å; R110-D145 IonicContact NE-OD1 3.7Å; R110-D145 IonicContact NE-OD2 3.06Å; R110-D145 PolarHBondContact NE-OD2 3.05Å; R110-D145 IonicContact NH2-OD1 2.81Å; R110-D145 PolarHBondContact NH2-OD1 2.94Å; R110-D145 IonicContact NH2-OD2 3.06Å; R110-D145 PolarHBondContact NH2-OD2 3.22Å; R110-V150 HydrophobicContact CB-CG1 4.04Å; R110-V150 HydrophobicContact CB-CG2 4.01Å
111Y94.6Very high94.3Very high87 Ų8741.4 Ų41.434%0.34120%0.201SC..Hα-helixtrans-59.3-48.2174.4176.5-97.4000112.8S107 L109 A113 C114 E115 N149S107-Y111 WeakPolarHBondContact O-CB 3.32Å; S107-Y111 PolarHBondContact O-N 3.38Å; L109-Y111 VanDerWaalsContact C-N 3.3Å; L109-Y111 PolarHBondContact O-N 3.38Å; Y111-A113 PolarHBondContact O-N 2.93Å; Y111-C114 VanDerWaalsContact O-CB 3.31Å; Y111-C114 WeakPolarHBondContact O-CB 3.19Å; Y111-C114 PolarHBondContact O-N 2.89Å; Y111-C114 VanDerWaalsContact O-N 3.11Å; Y111-E115 PolarHBondContact O-N 3.12Å; Y111-N149 HydrophobicContact CD2-CB 4.24Å; Y111-N149 VanDerWaalsContact CD2-O 3.25Å; Y111-N149 WeakPolarHBondContact CD2-O 3.25Å
112Y93.8Very high94.4Very high60 Ų6046.5 Ų46.524%0.23522%0.223CC..Hα-helixtrans-64.3-29.6176.5-72.4-50.3000112.7Y23 K70 R108 L109 E115 A116Y23-Y112 HydrophobicContact CD2-CE1 4.49Å; K70-Y112 HydrophobicContact CD-CD2 3.97Å; K70-Y112 HydrophobicContact CD-CE2 3.89Å; K70-Y112 HydrophobicContact CG-CD2 3.83Å; K70-Y112 HydrophobicContact CG-CE2 4.22Å; R108-Y112 HydrophobicContact CB-CE2 4.46Å; R108-Y112 WeakPolarHBondContact O-CD2 3.42Å; R108-Y112 PolarHBondContact O-N 3.45Å; L109-Y112 PolarHBondContact O-N 3.41Å; Y112-E115 PolarHBondContact O-N 2.89Å; Y112-A116 WeakPolarHBondContact O-CB 3.46Å; Y112-A116 PolarHBondContact O-N 2.73Å
113A95.7Very high94.5Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-68-41173.400000110.5L73 V98 C101 F102 L109 R110 Y111 E115 A116 L117L73-A113 HydrophobicContact CD1-CB 3.96Å; L73-A113 HydrophobicContact CD2-CB 4.14Å; V98-A113 HydrophobicContact CG1-CB 4.05Å; V98-A113 VanDerWaalsContact CG1-O 3.25Å; V98-A113 WeakPolarHBondContact CG1-O 3.46Å; C101-A113 HydrophobicContact CB-CB 3.8Å; F102-A113 HydrophobicContact CD1-CB 3.62Å; F102-A113 HydrophobicContact CE1-CB 3.61Å; L109-A113 WeakPolarHBondContact O-CB 3.5Å; L109-A113 PolarHBondContact O-N 3.13Å; R110-A113 WeakPolarHBondContact O-CB 3.49Å; R110-A113 PolarHBondContact O-N 2.99Å; R110-A113 VanDerWaalsContact O-N 3.17Å; Y111-A113 PolarHBondContact O-N 2.93Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 3.37Å; A113-A116 PolarHBondContact O-N 3.44Å; A113-L117 WeakPolarHBondContact O-CB 3.32Å; A113-L117 PolarHBondContact O-N 2.85Å
114C95Very high94.7Very high0 Ų042.9 Ų42.90%021%0.207CC..Hα-helixtrans-58-46.3171.8-57.90000111.5R110 Y111 L117 Y118 L142R110-C114 PolarHBondContact O-N 3.35Å; R110-C114 PolarHBondContact O-SG 3.39Å; Y111-C114 VanDerWaalsContact O-CB 3.31Å; Y111-C114 WeakPolarHBondContact O-CB 3.19Å; Y111-C114 PolarHBondContact O-N 2.89Å; Y111-C114 VanDerWaalsContact O-N 3.11Å; C114-L117 PolarHBondContact O-N 3.46Å; C114-Y118 VanDerWaalsContact O-CB 3.28Å; C114-Y118 WeakPolarHBondContact O-CB 3.3Å; C114-Y118 PolarHBondContact O-N 2.93Å; C114-L142 WeakPolarHBondContact SG-CD1 3.29Å
115E94.3Very high94.8Very high70 Ų7046.1 Ų46.133%0.32722%0.217SC..Hα-helixtrans-64-43.3179.3-173.8-178.2-171.600112Y111 Y112 A113 Y118 N119Y111-E115 PolarHBondContact O-N 3.12Å; Y112-E115 PolarHBondContact O-N 2.89Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 3.37Å; E115-Y118 PolarHBondContact O-N 3.42Å; E115-N119 PolarHBondContact O-N 3.1Å; E115-N119 VanDerWaalsContact O-N 3.09Å; E115-N119 PolarHBondContact O-ND2 2.95Å
116A96Very high95Very high4 Ų442.1 Ų42.13%0.03319%0.194CC..Hα-helixtrans-62.3-47.317600000111.2L73 A77 V98 Y112 A113 Y118 N119 I120L73-A116 HydrophobicContact CB-CB 4.08Å; L73-A116 HydrophobicContact CD2-CB 4.5Å; L73-A116 WeakPolarHBondContact O-CB 3.5Å; A77-A116 HydrophobicContact CB-CB 4.16Å; V98-A116 HydrophobicContact CG1-CB 4.34Å; Y112-A116 WeakPolarHBondContact O-CB 3.46Å; Y112-A116 PolarHBondContact O-N 2.73Å; A113-A116 PolarHBondContact O-N 3.44Å; A116-Y118 PolarHBondContact O-N 3.39Å; A116-N119 PolarHBondContact O-N 3.13Å; A116-I120 WeakPolarHBondContact O-CG1 3.39Å; A116-I120 PolarHBondContact O-N 3.31Å
117L97.1Very high95.1Very high0 Ų042.2 Ų42.20%020%0.201CC..Hα-helixtrans-66.2-38.1179.2-166.654.7000112I95 V98 L99 F102 A113 C114 N119 I120 V121 L135 L157I95-L117 HydrophobicContact CG1-CD1 4.06Å; I95-L117 HydrophobicContact CG2-CD1 4.25Å; V98-L117 HydrophobicContact CG1-CB 3.83Å; L99-L117 HydrophobicContact CD2-CD2 3.7Å; F102-L117 HydrophobicContact CE1-CD2 4.31Å; F102-L117 HydrophobicContact CE2-CD2 3.88Å; F102-L117 HydrophobicContact CZ-CB 4.33Å; F102-L117 HydrophobicContact CZ-CD2 3.4Å; A113-L117 WeakPolarHBondContact O-CB 3.32Å; A113-L117 PolarHBondContact O-N 2.85Å; C114-L117 PolarHBondContact O-N 3.46Å; L117-N119 VanDerWaalsContact C-N 3.32Å; L117-N119 PolarHBondContact O-N 3.14Å; L117-I120 PolarHBondContact O-N 2.91Å; L117-V121 HydrophobicContact CD1-CG2 4.18Å; L117-V121 HydrophobicContact CG-CG2 4.19Å; L117-V121 WeakPolarHBondContact O-CB 3.41Å; L117-V121 VanDerWaalsContact O-CG2 3.26Å; L117-V121 WeakPolarHBondContact O-CG2 3.45Å; L117-V121 PolarHBondContact O-N 3.47Å; L117-L135 HydrophobicContact CD1-CD2 3.87Å; L117-L135 HydrophobicContact CD2-CD2 3.72Å; L117-L135 HydrophobicContact CG-CD2 4.13Å; L117-L157 HydrophobicContact CB-CD2 3.96Å; L117-L157 HydrophobicContact CD2-CD2 3.76Å; L117-L157 HydrophobicContact CG-CD2 3.83Å
118Y96.9Very high95.1Very high67 Ų6740.8 Ų40.826%0.26319%0.191SC..Hα-helixtrans-55.2-46.9171.4177.4-90.3000112C114 E115 A116 K122 L156 L157 L160C114-Y118 VanDerWaalsContact O-CB 3.28Å; C114-Y118 WeakPolarHBondContact O-CB 3.3Å; C114-Y118 PolarHBondContact O-N 2.93Å; E115-Y118 PolarHBondContact O-N 3.42Å; A116-Y118 PolarHBondContact O-N 3.39Å; Y118-K122 HydrophobicContact CE1-CD 3.97Å; Y118-K122 WeakPolarHBondContact O-CB 3.29Å; Y118-K122 PolarHBondContact O-N 2.99Å; Y118-L156 HydrophobicContact CD2-CB 4.25Å; Y118-L156 HydrophobicContact CE2-CB 4.24Å; Y118-L157 HydrophobicContact CD2-CB 4.45Å; Y118-L160 HydrophobicContact CD2-CB 4.33Å; Y118-L160 HydrophobicContact CD2-CD2 3.7Å; Y118-L160 HydrophobicContact CE2-CB 3.95Å; Y118-L160 HydrophobicContact CE2-CD2 3.61Å; Y118-L160 HydrophobicContact CE2-CG 4.37Å; Y118-L160 HydrophobicContact CG-CD2 4.35Å
119N96.1Very high95.3Very high42 Ų4233.2 Ų33.223%0.22516%0.164CC..Hα-helixtrans-66.5-39.5178.1-71.8-45.4000112.4A77 E115 A116 L117 V123A77-N119 HydrophobicContact CB-CB 4.13Å; E115-N119 PolarHBondContact O-N 3.1Å; E115-N119 VanDerWaalsContact O-N 3.09Å; E115-N119 PolarHBondContact O-ND2 2.95Å; A116-N119 PolarHBondContact O-N 3.13Å; L117-N119 VanDerWaalsContact C-N 3.32Å; L117-N119 PolarHBondContact O-N 3.14Å; N119-V123 VanDerWaalsContact O-CG2 3.28Å; N119-V123 WeakPolarHBondContact O-CG2 3.43Å; N119-V123 PolarHBondContact O-N 3.36Å
120I96.6Very high95.4Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-61.8-52.8175.9-65.6163.1000110.4S80 L91 L94 I95 V98 A116 L117 K122 V123 A124S80-I120 WeakPolarHBondContact OG-CA 3.33Å; L91-I120 HydrophobicContact CD2-CG2 4.21Å; L94-I120 HydrophobicContact CB-CD1 4.35Å; L94-I120 HydrophobicContact CB-CG2 4.43Å; I95-I120 HydrophobicContact CG1-CG2 4.26Å; V98-I120 HydrophobicContact CG2-CD1 4.04Å; A116-I120 WeakPolarHBondContact O-CG1 3.39Å; A116-I120 PolarHBondContact O-N 3.31Å; L117-I120 PolarHBondContact O-N 2.91Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.04Å; I120-V123 PolarHBondContact O-N 3.18Å; I120-A124 WeakPolarHBondContact O-CB 3.36Å; I120-A124 PolarHBondContact O-N 2.97Å
121V96.8Very high95.4Very high0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-61.8-40.6179.7171.30000111.4L117 V123 A124 R125 V128 L135 L157 L160 L161 I164L117-V121 HydrophobicContact CD1-CG2 4.18Å; L117-V121 HydrophobicContact CG-CG2 4.19Å; L117-V121 WeakPolarHBondContact O-CB 3.41Å; L117-V121 VanDerWaalsContact O-CG2 3.26Å; L117-V121 WeakPolarHBondContact O-CG2 3.45Å; L117-V121 PolarHBondContact O-N 3.47Å; V121-V123 VanDerWaalsContact C-N 3.26Å; V121-V123 PolarHBondContact O-N 3.48Å; V121-A124 PolarHBondContact O-N 3.07Å; V121-R125 PolarHBondContact O-N 3.4Å; V121-V128 HydrophobicContact CG1-CG1 4.33Å; V121-V128 HydrophobicContact CG2-CG2 4.23Å; V121-L135 HydrophobicContact CG2-CD1 4.15Å; V121-L157 HydrophobicContact CB-CD1 3.99Å; V121-L157 HydrophobicContact CG1-CD1 4.17Å; V121-L157 HydrophobicContact CG2-CD1 3.9Å; V121-L160 HydrophobicContact CB-CD2 4.25Å; V121-L160 HydrophobicContact CG1-CD2 3.85Å; V121-L160 HydrophobicContact CG1-CG 4.09Å; V121-L161 HydrophobicContact CG1-CD1 4.43Å; V121-I164 HydrophobicContact CG1-CD1 3.46Å; V121-I164 VanDerWaalsContact CG1-CD1 3.46Å
122K96.6Very high95.5Very high111 Ų11135.4 Ų35.448%0.48319%0.188SC..Hα-helixtrans-60.2-37.5178.2179.8-178.2174.3-172.10112Y118 I120 R125 L160Y118-K122 HydrophobicContact CE1-CD 3.97Å; Y118-K122 WeakPolarHBondContact O-CB 3.29Å; Y118-K122 PolarHBondContact O-N 2.99Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 3.04Å; K122-R125 WeakPolarHBondContact O-CD 3.4Å; K122-R125 WeakPolarHBondContact O-CG 3.36Å; K122-L160 HydrophobicContact CB-CD2 3.79Å
123V95.6Very high95.6Very high41 Ų4134.8 Ų34.825%0.24819%0.189CC..Hα-helixtrans-80.2-42.6179.5176.20000111.1S80 I81 G84 N119 I120 V121S80-V123 WeakPolarHBondContact O-CG1 3.21Å; I81-V123 HydrophobicContact CG1-CG2 4.06Å; G84-V123 VanDerWaalsContact O-CG1 3.24Å; G84-V123 WeakPolarHBondContact O-CG1 3.44Å; N119-V123 VanDerWaalsContact O-CG2 3.28Å; N119-V123 WeakPolarHBondContact O-CG2 3.43Å; N119-V123 PolarHBondContact O-N 3.36Å; I120-V123 PolarHBondContact O-N 3.18Å; V121-V123 VanDerWaalsContact C-N 3.26Å; V121-V123 PolarHBondContact O-N 3.48Å
124A94.7Very high95.5Very high9 Ų938.8 Ų38.87%0.07421%0.209CC..Hα-helixtrans-70.2-31.1-177.600000113.8L91 I120 V121 G126 A127 V128L91-A124 HydrophobicContact CD1-CB 4.26Å; L91-A124 HydrophobicContact CD2-CB 3.68Å; I120-A124 WeakPolarHBondContact O-CB 3.36Å; I120-A124 PolarHBondContact O-N 2.97Å; V121-A124 PolarHBondContact O-N 3.07Å; A124-G126 PolarHBondContact O-N 3.14Å; A124-A127 VanDerWaalsContact O-CB 3.28Å; A124-A127 WeakPolarHBondContact O-CB 3.3Å; A124-A127 PolarHBondContact O-N 3.48Å; A124-A127 VanDerWaalsContact O-N 3.08Å; A124-V128 HydrophobicContact CB-CB 4.26Å
125R94.8Very high95.6Very high90 Ų9038.9 Ų38.934%0.3421%0.21SC..G310 helixtrans47.2-128.6-176.5-60.2-69.8-81.6177.4-6.5110.8V121 K122 A127 V128 E167V121-R125 PolarHBondContact O-N 3.4Å; K122-R125 WeakPolarHBondContact O-CD 3.4Å; K122-R125 WeakPolarHBondContact O-CG 3.36Å; R125-A127 PolarHBondContact O-N 2.91Å; R125-A127 VanDerWaalsContact O-N 3.1Å; R125-V128 WeakPolarHBondContact O-CB 3.41Å; R125-V128 VanDerWaalsContact O-CG1 3.3Å; R125-V128 WeakPolarHBondContact O-CG1 3.41Å; R125-V128 PolarHBondContact O-N 3.36Å; R125-V128 VanDerWaalsContact O-N 3.09Å; R125-E167 IonicContact CZ-OE2 2.58Å; R125-E167 IonicContact NH2-OE1 2.6Å; R125-E167 PolarHBondContact NH2-OE1 2.83Å; R125-E167 IonicContact NH2-OE2 3.87Å; R125-E167 PolarHBondContact NH2-OE2 2.87Å
126G93.8Very high95.7Very high30 Ų3035.5 Ų35.531%0.30919%0.194SC..G310 helixtrans-59.3-21.5-177.600000115.1A124 V128 L129A124-G126 PolarHBondContact O-N 3.14Å; G126-V128 PolarHBondContact O-N 3.26Å; G126-V128 VanDerWaalsContact O-N 3.08Å; G126-L129 WeakPolarHBondContact O-CG 3.48Å; G126-L129 PolarHBondContact O-N 2.92Å
127A94.5Very high95.6Very high46 Ų4637.1 Ų37.138%0.3820%0.202SC..G310 helixtrans-63.3-16.5176.200000112.9L91 A124 R125 P130L91-A127 HydrophobicContact CD1-CB 4.18Å; L91-A127 WeakPolarHBondContact CD1-O 3.35Å; A124-A127 VanDerWaalsContact O-CB 3.28Å; A124-A127 WeakPolarHBondContact O-CB 3.3Å; A124-A127 PolarHBondContact O-N 3.48Å; A124-A127 VanDerWaalsContact O-N 3.08Å; R125-A127 PolarHBondContact O-N 2.91Å; R125-A127 VanDerWaalsContact O-N 3.1Å; A127-P130 WeakPolarHBondContact O-CD 3.17Å
128V95.2Very high95.4Very high0 Ų037.4 Ų37.40%021%0.205CC..G310 helixtrans-82.1-13.5-179.692.40000114.4L91 I95 V121 A124 R125 G126 P130 H131 F132 L135 L161L91-V128 HydrophobicContact CD1-CB 4.46Å; L91-V128 HydrophobicContact CD1-CG2 4.32Å; I95-V128 HydrophobicContact CD1-CG2 3.75Å; V121-V128 HydrophobicContact CG1-CG1 4.33Å; V121-V128 HydrophobicContact CG2-CG2 4.23Å; A124-V128 HydrophobicContact CB-CB 4.26Å; R125-V128 WeakPolarHBondContact O-CB 3.41Å; R125-V128 VanDerWaalsContact O-CG1 3.3Å; R125-V128 WeakPolarHBondContact O-CG1 3.41Å; R125-V128 PolarHBondContact O-N 3.36Å; R125-V128 VanDerWaalsContact O-N 3.09Å; G126-V128 PolarHBondContact O-N 3.26Å; G126-V128 VanDerWaalsContact O-N 3.08Å; V128-P130 VanDerWaalsContact C-CD 3.46Å; V128-H131 CarbonylContact O-C 3.51Å; V128-H131 WeakPolarHBondContact O-CA 3.49Å; V128-H131 WeakPolarHBondContact O-CB 3.19Å; V128-H131 PolarHBondContact O-N 3.29Å; V128-F132 PolarHBondContact O-N 3.49Å; V128-L135 HydrophobicContact CB-CD1 4.41Å; V128-L135 HydrophobicContact CG1-CD1 4.04Å; V128-L135 HydrophobicContact CG2-CD1 3.56Å; V128-L161 HydrophobicContact CG1-CD1 4.03Å
129L95.1Very high95.2Very high16 Ų1634.3 Ų34.38%0.08419%0.193CC..G310 helixtrans-60-35-174.6-66.5178000114.9G126 H131 F132 I164 V165 S168 T170 F171G126-L129 WeakPolarHBondContact O-CG 3.48Å; G126-L129 PolarHBondContact O-N 2.92Å; L129-H131 PolarHBondContact O-N 2.95Å; L129-H131 VanDerWaalsContact O-N 3.09Å; L129-F132 WeakPolarHBondContact O-CB 3.28Å; L129-F132 PolarHBondContact O-N 3.21Å; L129-I164 HydrophobicContact CD2-CG2 4.02Å; L129-I164 HydrophobicContact CG-CG2 4.27Å; L129-V165 HydrophobicContact CD2-CG2 3.87Å; L129-S168 WeakPolarHBondContact CD1-OG 3.35Å; L129-T170 WeakPolarHBondContact CD1-OG1 3.36Å; L129-F171 HydrophobicContact CD2-CD2 4.28Å
130P94.8Very high95Very high114 Ų11432.8 Ų32.874%0.7419%0.186SC*.G310 helixtrans-59.7-20.6171.7-25.536.2000114.2A127 V128A127-P130 WeakPolarHBondContact O-CD 3.17Å; V128-P130 VanDerWaalsContact C-CD 3.46Å
131H95.3Very high94.6Very high40 Ų4037.3 Ų37.319%0.18521%0.205CC..G310 helixtrans-100.46.8176.5-61.4-89.7000112.7I95 V128 L129 N133 L134 L135I95-H131 HydrophobicContact CD1-CB 4.06Å; V128-H131 CarbonylContact O-C 3.51Å; V128-H131 WeakPolarHBondContact O-CA 3.49Å; V128-H131 WeakPolarHBondContact O-CB 3.19Å; V128-H131 PolarHBondContact O-N 3.29Å; L129-H131 PolarHBondContact O-N 2.95Å; L129-H131 VanDerWaalsContact O-N 3.09Å; H131-N133 VanDerWaalsContact C-N 3.33Å; H131-N133 PolarHBondContact O-N 3.44Å; H131-L134 WeakPolarHBondContact O-CB 3.33Å; H131-L134 PolarHBondContact O-N 3.37Å; H131-L134 VanDerWaalsContact O-N 3.1Å; H131-L135 PolarHBondContact O-N 3.28Å; H131-L135 VanDerWaalsContact O-N 3.16Å
132F96.6Very high94.4Very high4 Ų437.4 Ų37.42%0.01821%0.206CC..Hα-helixtrans-53.7-46.3-172.9177.1-95.3000112.9V128 L129 L134 L135 F136 L161 V165 F171 F176 W198V128-F132 PolarHBondContact O-N 3.49Å; L129-F132 WeakPolarHBondContact O-CB 3.28Å; L129-F132 PolarHBondContact O-N 3.21Å; F132-L134 VanDerWaalsContact C-N 3.26Å; F132-L134 PolarHBondContact O-N 3.04Å; F132-L135 WeakPolarHBondContact O-CB 3.35Å; F132-L135 PolarHBondContact O-N 3.48Å; F132-F136 HydrophobicContact CD1-CB 4.39Å; F132-F136 HydrophobicContact CE1-CB 4.04Å; F132-F136 HydrophobicContact CE1-CD2 4.09Å; F132-F136 HydrophobicContact CE1-CG 4.29Å; F132-F136 HydrophobicContact CZ-CB 4.26Å; F132-F136 AromaticContact CZ-CD2 3.87Å; F132-F136 HydrophobicContact CZ-CD2 3.87Å; F132-F136 HydrophobicContact CZ-CG 4.44Å; F132-F136 WeakPolarHBondContact O-CB 3.41Å; F132-F136 PolarHBondContact O-N 3.2Å; F132-L161 HydrophobicContact CD2-CD1 4.15Å; F132-L161 HydrophobicContact CD2-CD2 3.86Å; F132-L161 HydrophobicContact CD2-CG 4.03Å; F132-L161 HydrophobicContact CE2-CD1 4.48Å; F132-L161 HydrophobicContact CE2-CD2 3.67Å; F132-L161 HydrophobicContact CE2-CG 3.87Å; F132-V165 HydrophobicContact CD2-CG2 4.1Å; F132-V165 HydrophobicContact CE2-CG2 3.77Å; F132-F171 HydrophobicContact CB-CE2 4.46Å; F132-F171 AromaticContact CD1-CE2 3.5Å; F132-F171 HydrophobicContact CD1-CE2 3.5Å; F132-F171 AromaticContact CD1-CZ 3.94Å; F132-F171 HydrophobicContact CD1-CZ 3.94Å; F132-F171 AromaticContact CD2-CE2 3.86Å; F132-F171 HydrophobicContact CD2-CE2 3.86Å; F132-F171 AromaticContact CE1-CE2 3.52Å; F132-F171 HydrophobicContact CE1-CE2 3.52Å; F132-F171 AromaticContact CE1-CZ 3.63Å; F132-F171 HydrophobicContact CE1-CZ 3.63Å; F132-F171 AromaticContact CE2-CE2 3.88Å; F132-F171 HydrophobicContact CE2-CE2 3.88Å; F132-F171 AromaticContact CG-CE2 3.67Å; F132-F171 HydrophobicContact CG-CE2 3.67Å; F132-F171 AromaticContact CZ-CE2 3.71Å; F132-F171 HydrophobicContact CZ-CE2 3.71Å; F132-F171 AromaticContact CZ-CZ 3.98Å; F132-F171 HydrophobicContact CZ-CZ 3.98Å; F132-F176 HydrophobicContact CD1-CD2 4.04Å; F132-F176 HydrophobicContact CD1-CG 4.37Å; F132-F176 HydrophobicContact CE1-CD1 4.35Å; F132-F176 AromaticContact CE1-CD2 3.5Å; F132-F176 HydrophobicContact CE1-CD2 3.5Å; F132-F176 VanDerWaalsContact CE1-CD2 3.5Å; F132-F176 AromaticContact CE1-CE2 3.68Å; F132-F176 HydrophobicContact CE1-CE2 3.68Å; F132-F176 AromaticContact CE1-CG 3.85Å; F132-F176 HydrophobicContact CE1-CG 3.85Å; F132-F176 HydrophobicContact CE1-CZ 4.18Å; F132-F176 HydrophobicContact CZ-CE2 4.49Å; F132-W198 AromaticContact CE2-CH2 3.69Å; F132-W198 HydrophobicContact CE2-CH2 3.69Å; F132-W198 HydrophobicContact CE2-CZ2 4.4Å; F132-W198 AromaticContact CE2-CZ3 3.78Å; F132-W198 HydrophobicContact CE2-CZ3 3.78Å; F132-W198 HydrophobicContact CZ-CE3 4.15Å; F132-W198 HydrophobicContact CZ-CH2 4.03Å; F132-W198 AromaticContact CZ-CZ3 3.81Å; F132-W198 HydrophobicContact CZ-CZ3 3.81Å
133N96.1Very high94.2Very high47 Ų4732.9 Ų32.925%0.25119%0.188SC..Hα-helixtrans-59.3-36.9-178-67.3-19.7000112.6H131 D137 S175 F176 L179H131-N133 VanDerWaalsContact C-N 3.33Å; H131-N133 PolarHBondContact O-N 3.44Å; N133-D137 WeakPolarHBondContact O-CB 3.17Å; N133-D137 PolarHBondContact O-N 3.26Å; N133-S175 PolarHBondContact ND2-O 3.29Å; N133-S175 VanDerWaalsContact ND2-O 3.1Å; N133-S175 PolarHBondContact ND2-OG 3.43Å; N133-F176 WeakPolarHBondContact OD1-CA 3.22Å; N133-L179 HydrophobicContact CB-CD2 4.17Å; N133-L179 WeakPolarHBondContact O-CD2 3.34Å
134L94.7Very high93.9Very high83 Ų8332.2 Ų32.244%0.43519%0.187SC..Hα-helixtrans-69.7-42.2176.1-63.9172.6000111.4L99 H131 F132 G138L99-L134 HydrophobicContact CD1-CB 3.91Å; H131-L134 WeakPolarHBondContact O-CB 3.33Å; H131-L134 PolarHBondContact O-N 3.37Å; H131-L134 VanDerWaalsContact O-N 3.1Å; F132-L134 VanDerWaalsContact C-N 3.26Å; F132-L134 PolarHBondContact O-N 3.04Å; L134-G138 PolarHBondContact O-N 3.49Å
135L96Very high93.9Very high2 Ų232.4 Ų32.41%0.0119%0.187CC..Hα-helixtrans-64.9-45.1177.5-63.9178.4000111.5I95 L117 V121 V128 H131 F132 G138 L139 L161I95-L135 HydrophobicContact CD1-CD2 4.36Å; I95-L135 HydrophobicContact CG2-CD2 3.81Å; L117-L135 HydrophobicContact CD1-CD2 3.87Å; L117-L135 HydrophobicContact CD2-CD2 3.72Å; L117-L135 HydrophobicContact CG-CD2 4.13Å; V121-L135 HydrophobicContact CG2-CD1 4.15Å; V128-L135 HydrophobicContact CB-CD1 4.41Å; V128-L135 HydrophobicContact CG1-CD1 4.04Å; V128-L135 HydrophobicContact CG2-CD1 3.56Å; H131-L135 PolarHBondContact O-N 3.28Å; H131-L135 VanDerWaalsContact O-N 3.16Å; F132-L135 WeakPolarHBondContact O-CB 3.35Å; F132-L135 PolarHBondContact O-N 3.48Å; L135-G138 PolarHBondContact O-N 2.52Å; L135-L139 WeakPolarHBondContact O-CB 3.33Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 3.17Å; L135-L161 HydrophobicContact CB-CD2 4.08Å; L135-L161 HydrophobicContact CD1-CD1 4.02Å
136F96.4Very high93.8Very high0 Ų033.6 Ų33.60%021%0.207CC..Hα-helixtrans-61.6-46.4177.2-177.4-85.3000111.3F132 G138 L139 S140 F176 L179 F194 I195 W198F132-F136 HydrophobicContact CD1-CB 4.39Å; F132-F136 HydrophobicContact CE1-CB 4.04Å; F132-F136 HydrophobicContact CE1-CD2 4.09Å; F132-F136 HydrophobicContact CE1-CG 4.29Å; F132-F136 HydrophobicContact CZ-CB 4.26Å; F132-F136 AromaticContact CZ-CD2 3.87Å; F132-F136 HydrophobicContact CZ-CD2 3.87Å; F132-F136 HydrophobicContact CZ-CG 4.44Å; F132-F136 WeakPolarHBondContact O-CB 3.41Å; F132-F136 PolarHBondContact O-N 3.2Å; F136-G138 PolarHBondContact O-N 3.41Å; F136-L139 PolarHBondContact O-N 2.84Å; F136-S140 VanDerWaalsContact O-CB 3.32Å; F136-S140 WeakPolarHBondContact O-CB 3.36Å; F136-S140 PolarHBondContact O-N 3.04Å; F136-S140 PolarHBondContact O-OG 3.47Å; F136-F176 AromaticContact CD1-CE2 3.75Å; F136-F176 HydrophobicContact CD1-CE2 3.75Å; F136-F176 HydrophobicContact CD1-CZ 4.46Å; F136-F176 AromaticContact CD2-CE2 3.76Å; F136-F176 HydrophobicContact CD2-CE2 3.76Å; F136-F176 AromaticContact CD2-CZ 3.97Å; F136-F176 HydrophobicContact CD2-CZ 3.97Å; F136-F176 AromaticContact CE1-CE2 3.73Å; F136-F176 HydrophobicContact CE1-CE2 3.73Å; F136-F176 HydrophobicContact CE1-CZ 4.09Å; F136-F176 AromaticContact CE2-CE2 3.74Å; F136-F176 HydrophobicContact CE2-CE2 3.74Å; F136-F176 AromaticContact CE2-CZ 3.54Å; F136-F176 HydrophobicContact CE2-CZ 3.54Å; F136-F176 AromaticContact CG-CE2 3.74Å; F136-F176 HydrophobicContact CG-CE2 3.74Å; F136-F176 HydrophobicContact CG-CZ 4.39Å; F136-F176 AromaticContact CZ-CE2 3.71Å; F136-F176 HydrophobicContact CZ-CE2 3.71Å; F136-F176 AromaticContact CZ-CZ 3.59Å; F136-F176 HydrophobicContact CZ-CZ 3.59Å; F136-L179 HydrophobicContact CB-CD2 4.42Å; F136-L179 HydrophobicContact CD1-CD2 3.66Å; F136-L179 HydrophobicContact CD1-CG 4.11Å; F136-L179 HydrophobicContact CE1-CD2 4.4Å; F136-L179 HydrophobicContact CE1-CG 4.38Å; F136-L179 HydrophobicContact CG-CD2 4.42Å; F136-F194 HydrophobicContact CD2-CE1 4.01Å; F136-F194 HydrophobicContact CD2-CZ 4.09Å; F136-F194 HydrophobicContact CE1-CE1 4.14Å; F136-F194 AromaticContact CE2-CE1 3.58Å; F136-F194 HydrophobicContact CE2-CE1 3.58Å; F136-F194 HydrophobicContact CE2-CZ 4.04Å; F136-F194 HydrophobicContact CG-CE1 4.47Å; F136-F194 HydrophobicContact CZ-CD1 4.41Å; F136-F194 AromaticContact CZ-CE1 3.67Å; F136-F194 HydrophobicContact CZ-CE1 3.67Å; F136-I195 HydrophobicContact CE1-CD1 3.93Å; F136-I195 HydrophobicContact CZ-CD1 3.54Å; F136-W198 HydrophobicContact CD2-CD2 4.23Å; F136-W198 HydrophobicContact CD2-CG 4.29Å; F136-W198 HydrophobicContact CE2-CB 4.04Å; F136-W198 AromaticContact CE2-CD1 3.56Å; F136-W198 AromaticContact CE2-CD2 3.97Å; F136-W198 HydrophobicContact CE2-CD2 3.97Å; F136-W198 AromaticContact CE2-CG 3.58Å; F136-W198 HydrophobicContact CE2-CG 3.58Å; F136-W198 AromaticContact CE2-NE1 3.93Å
137D93.7Very high93.8Very high38 Ų3833.8 Ų33.820%0.20320%0.2CC..Hα-helixtrans-58.3-47.9176176.753.4000111.4N133 S140 K141 L179 R183N133-D137 WeakPolarHBondContact O-CB 3.17Å; N133-D137 PolarHBondContact O-N 3.26Å; D137-S140 PolarHBondContact O-N 3.07Å; D137-S140 PolarHBondContact O-OG 3.45Å; D137-K141 PolarHBondContact O-N 2.88Å; D137-K141 WeakPolarHBondContact OD1-CE 3.45Å; D137-K141 IonicContact OD1-NZ 2.72Å; D137-K141 PolarHBondContact OD1-NZ 3.22Å; D137-K141 IonicContact OD2-NZ 2.78Å; D137-K141 PolarHBondContact OD2-NZ 3.38Å; D137-L179 HydrophobicContact CB-CD2 4.44Å; D137-R183 IonicContact OD1-CZ 3.3Å; D137-R183 IonicContact OD1-NH1 3.57Å; D137-R183 PolarHBondContact OD1-NH1 3.42Å; D137-R183 IonicContact OD1-NH2 2.67Å; D137-R183 PolarHBondContact OD1-NH2 2.74Å
138G92.4Very high93.8Very high6 Ų635.9 Ų35.96%0.06221%0.21CC..Hα-helixtrans-59.4-48.4176.600000112.8L134 L135 F136 S140 K141 L142L134-G138 PolarHBondContact O-N 3.49Å; L135-G138 PolarHBondContact O-N 2.52Å; F136-G138 PolarHBondContact O-N 3.41Å; G138-S140 PolarHBondContact O-N 3Å; G138-K141 PolarHBondContact O-N 3.02Å; G138-L142 WeakPolarHBondContact O-CG 3.34Å; G138-L142 PolarHBondContact O-N 3.47Å
139L94.5Very high93.6Very high2 Ų240.8 Ų40.81%0.0124%0.236CC..Hα-helixtrans-63.1-39.8178-79.4173.1000112.9L135 F136 K141 L142 S143 L157 L161 F194L135-L139 WeakPolarHBondContact O-CB 3.33Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 3.17Å; F136-L139 PolarHBondContact O-N 2.84Å; L139-K141 PolarHBondContact O-N 2.92Å; L139-L142 PolarHBondContact O-N 3.31Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L139-S143 PolarHBondContact O-N 3.36Å; L139-L157 HydrophobicContact CD1-CD2 4.49Å; L139-L157 HydrophobicContact CD1-CG 4.15Å; L139-L157 HydrophobicContact CD2-CB 4.08Å; L139-L157 HydrophobicContact CD2-CD2 3.66Å; L139-L157 HydrophobicContact CD2-CG 3.79Å; L139-L157 HydrophobicContact CG-CD2 4.24Å; L139-L157 HydrophobicContact CG-CG 4.36Å; L139-L161 HydrophobicContact CD1-CD2 3.79Å; L139-F194 HydrophobicContact CB-CE2 3.96Å; L139-F194 HydrophobicContact CB-CZ 3.76Å
140S91.9Very high93.6Very high10 Ų1040 Ų407%0.0723%0.232CC..Hα-helixtrans-62.1-30.1179.975.60000112.7F136 D137 G138 S143 R183F136-S140 VanDerWaalsContact O-CB 3.32Å; F136-S140 WeakPolarHBondContact O-CB 3.36Å; F136-S140 PolarHBondContact O-N 3.04Å; F136-S140 PolarHBondContact O-OG 3.47Å; D137-S140 PolarHBondContact O-N 3.07Å; D137-S140 PolarHBondContact O-OG 3.45Å; G138-S140 PolarHBondContact O-N 3Å; S140-S143 PolarHBondContact O-OG 3.09Å; S140-R183 PolarHBondContact OG-NH1 3.2Å
141K87.7Confident93.5Very high94 Ų9436.1 Ų36.141%0.40920%0.204SC..Hα-helixtrans-75.3-42.2174.4-68.1164.7179.2161.90111.2D137 G138 L139 A144D137-K141 PolarHBondContact O-N 2.88Å; D137-K141 WeakPolarHBondContact OD1-CE 3.45Å; D137-K141 IonicContact OD1-NZ 2.72Å; D137-K141 PolarHBondContact OD1-NZ 3.22Å; D137-K141 IonicContact OD2-NZ 2.78Å; D137-K141 PolarHBondContact OD2-NZ 3.38Å; G138-K141 PolarHBondContact O-N 3.02Å; L139-K141 PolarHBondContact O-N 2.92Å; K141-A144 PolarHBondContact O-N 3.36Å
142L92.6Very high93.3Very high2 Ų237.3 Ų37.31%0.0122%0.216CC..Hα-helixtrans-73.1-28.8-178.7-67.2178.7000114F102 C114 G138 L139 A144 D145 V150F102-L142 HydrophobicContact CB-CD1 4.35Å; F102-L142 HydrophobicContact CB-CD2 4.04Å; F102-L142 HydrophobicContact CB-CG 4.29Å; F102-L142 HydrophobicContact CD1-CD1 3.87Å; F102-L142 HydrophobicContact CD2-CD1 3.35Å; F102-L142 HydrophobicContact CD2-CD2 4.48Å; F102-L142 HydrophobicContact CD2-CG 3.86Å; F102-L142 HydrophobicContact CE1-CD1 3.82Å; F102-L142 HydrophobicContact CE2-CD1 3.29Å; F102-L142 HydrophobicContact CE2-CG 4.24Å; F102-L142 HydrophobicContact CG-CD1 3.62Å; F102-L142 HydrophobicContact CG-CD2 4.19Å; F102-L142 HydrophobicContact CG-CG 4.07Å; F102-L142 HydrophobicContact CZ-CD1 3.51Å; C114-L142 WeakPolarHBondContact SG-CD1 3.29Å; G138-L142 WeakPolarHBondContact O-CG 3.34Å; G138-L142 PolarHBondContact O-N 3.47Å; L139-L142 PolarHBondContact O-N 3.31Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L142-A144 PolarHBondContact O-N 3.13Å; L142-D145 WeakPolarHBondContact O-CB 3.38Å; L142-D145 PolarHBondContact O-N 3.08Å; L142-V150 HydrophobicContact CD2-CG1 3.81Å
143S91.2Very high93.1Very high16 Ų1637.4 Ų37.411%0.11222%0.219CC..THydrogen-bonded Turntrans-61.7-26.9175.667.30000111.7L139 S140 K151 Y190L139-S143 PolarHBondContact O-N 3.36Å; S140-S143 PolarHBondContact O-OG 3.09Å; S143-K151 WeakPolarHBondContact O-CD 3.19Å; S143-Y190 VanDerWaalsContact O-CB 3.3Å; S143-Y190 WeakPolarHBondContact O-CB 3.45Å
144A90.9Very high93Very high28 Ų2835.4 Ų35.423%0.23121%0.208CC..THydrogen-bonded Turntrans-95.913.1174.100000114.2K141 L142K141-A144 PolarHBondContact O-N 3.36Å; L142-A144 PolarHBondContact O-N 3.13Å
145D94.4Very high93Very high13 Ų1337 Ų377%0.0721%0.214CC..  trans-63.7140.7-177.4-161.3-75.4000111.9R110 L142 D147 V150 K151R110-D145 IonicContact CZ-OD1 2.85Å; R110-D145 IonicContact CZ-OD2 3.27Å; R110-D145 IonicContact NE-OD1 3.7Å; R110-D145 IonicContact NE-OD2 3.06Å; R110-D145 PolarHBondContact NE-OD2 3.05Å; R110-D145 IonicContact NH2-OD1 2.81Å; R110-D145 PolarHBondContact NH2-OD1 2.94Å; R110-D145 IonicContact NH2-OD2 3.06Å; R110-D145 PolarHBondContact NH2-OD2 3.22Å; L142-D145 WeakPolarHBondContact O-CB 3.38Å; L142-D145 PolarHBondContact O-N 3.08Å; D145-D147 VanDerWaalsContact C-N 3.26Å; D145-D147 PolarHBondContact O-N 3.17Å; D145-D147 WeakPolarHBondContact OD1-CB 3.45Å; D145-D147 PolarHBondContact OD1-N 3.49Å; D145-V150 HydrophobicContact CB-CB 4.13Å; D145-V150 HydrophobicContact CB-CG1 3.88Å; D145-K151 HydrophobicContact CB-CG 4.12Å; D145-K151 WeakPolarHBondContact O-CD 3.33Å; D145-K151 WeakPolarHBondContact O-CE 3.21Å; D145-K151 WeakPolarHBondContact O-CG 3.39Å
146P91.9Very high92.9Very high115 Ų11540.5 Ų40.575%0.74723%0.232SC*.SBendtrans-64.9-26.4176.125.9-36.2000113.6P148P146-P148 WeakPolarHBondContact O-CD 3.12Å
147D94.7Very high92.9Very high34 Ų3440.6 Ų40.618%0.18223%0.232CC..SBendtrans-85.8120.5-179-168.3-61.7000111.3S107 D145 N149 V150 K151S107-D147 WeakPolarHBondContact CB-OD2 3.37Å; S107-D147 PolarHBondContact OG-OD2 3.07Å; D145-D147 VanDerWaalsContact C-N 3.26Å; D145-D147 PolarHBondContact O-N 3.17Å; D145-D147 WeakPolarHBondContact OD1-CB 3.45Å; D145-D147 PolarHBondContact OD1-N 3.49Å; D147-N149 VanDerWaalsContact C-N 3.27Å; D147-N149 PolarHBondContact O-N 3.06Å; D147-N149 WeakPolarHBondContact OD1-CA 3.33Å; D147-N149 VanDerWaalsContact OD1-CB 3.26Å; D147-N149 WeakPolarHBondContact OD1-CB 3.33Å; D147-N149 PolarHBondContact OD1-N 2.82Å; D147-N149 PolarHBondContact OD1-ND2 2.97Å; D147-N149 VanDerWaalsContact OD1-ND2 3.09Å; D147-V150 HydrophobicContact CB-CB 4.18Å; D147-V150 HydrophobicContact CB-CG2 3.78Å; D147-V150 PolarHBondContact O-N 3.48Å; D147-V150 PolarHBondContact OD1-N 2.89Å; D147-K151 PolarHBondContact O-N 3.49Å; D147-K151 VanDerWaalsContact O-N 3.14Å
148P92.9Very high93Very high89 Ų8939.9 Ų39.958%0.57823%0.228SC*.Hα-helixtrans-60.3-31179.8-24.834.7000114.6P146 K151 S152P146-P148 WeakPolarHBondContact O-CD 3.12Å; P148-K151 PolarHBondContact O-N 2.9Å; P148-S152 PolarHBondContact O-N 2.93Å
149N92.3Very high93.2Very high103 Ų10346.1 Ų46.155%0.55125%0.25SS*.Hα-helixtrans-71.4-39.2179.4-54.6-67.4000110.7Y111 D147 K151 S152 G153Y111-N149 HydrophobicContact CD2-CB 4.24Å; Y111-N149 VanDerWaalsContact CD2-O 3.25Å; Y111-N149 WeakPolarHBondContact CD2-O 3.25Å; D147-N149 VanDerWaalsContact C-N 3.27Å; D147-N149 PolarHBondContact O-N 3.06Å; D147-N149 WeakPolarHBondContact OD1-CA 3.33Å; D147-N149 VanDerWaalsContact OD1-CB 3.26Å; D147-N149 WeakPolarHBondContact OD1-CB 3.33Å; D147-N149 PolarHBondContact OD1-N 2.82Å; D147-N149 PolarHBondContact OD1-ND2 2.97Å; D147-N149 VanDerWaalsContact OD1-ND2 3.09Å; N149-K151 VanDerWaalsContact C-N 3.34Å; N149-S152 PolarHBondContact O-N 3.05Å; N149-G153 PolarHBondContact O-N 3.28Å
150V94.5Very high93.4Very high0 Ų046.6 Ų46.60%025%0.252CS..Hα-helixtrans-62.5-44.4175.6-179.50000110.1S107 R110 L142 D145 D147 G153 S154S107-V150 WeakPolarHBondContact O-CG2 3.28Å; R110-V150 HydrophobicContact CB-CG1 4.04Å; R110-V150 HydrophobicContact CB-CG2 4.01Å; L142-V150 HydrophobicContact CD2-CG1 3.81Å; D145-V150 HydrophobicContact CB-CB 4.13Å; D145-V150 HydrophobicContact CB-CG1 3.88Å; D147-V150 HydrophobicContact CB-CB 4.18Å; D147-V150 HydrophobicContact CB-CG2 3.78Å; D147-V150 PolarHBondContact O-N 3.48Å; D147-V150 PolarHBondContact OD1-N 2.89Å; V150-G153 PolarHBondContact O-N 3.18Å; V150-S154 WeakPolarHBondContact O-CB 3.46Å; V150-S154 PolarHBondContact O-N 3.44Å
151K92.9Very high93.6Very high33 Ų3346.1 Ų46.114%0.14325%0.249CC..Hα-helixtrans-57.8-50.7173.8-72.7-171.3-69.9-1730112.2S143 D145 D147 P148 N149 G153 S154 E155S143-K151 WeakPolarHBondContact O-CD 3.19Å; D145-K151 HydrophobicContact CB-CG 4.12Å; D145-K151 WeakPolarHBondContact O-CD 3.33Å; D145-K151 WeakPolarHBondContact O-CE 3.21Å; D145-K151 WeakPolarHBondContact O-CG 3.39Å; D147-K151 PolarHBondContact O-N 3.49Å; D147-K151 VanDerWaalsContact O-N 3.14Å; P148-K151 PolarHBondContact O-N 2.9Å; N149-K151 VanDerWaalsContact C-N 3.34Å; K151-G153 VanDerWaalsContact C-N 3.3Å; K151-G153 PolarHBondContact O-N 2.92Å; K151-S154 WeakPolarHBondContact O-CA 3.46Å; K151-S154 WeakPolarHBondContact O-CB 3.35Å; K151-S154 PolarHBondContact O-N 3.24Å; K151-S154 PolarHBondContact O-OG 3.36Å; K151-E155 WeakPolarHBondContact O-CG 3.2Å; K151-E155 PolarHBondContact O-N 2.65Å
152S92.1Very high94Very high64 Ų6442.5 Ų42.545%0.44823%0.234SC..Hα-helixtrans-59.2-40177.1-177.10000112.6P148 N149 E155 L156P148-S152 PolarHBondContact O-N 2.93Å; N149-S152 PolarHBondContact O-N 3.05Å; S152-E155 PolarHBondContact O-N 3Å; S152-L156 PolarHBondContact O-N 3.17Å
153G91Very high94.2Very high7 Ų745.7 Ų45.77%0.07225%0.25CS..Hα-helixtrans-63.7-40.6173.300000112.9N149 V150 K151 L156 L157N149-G153 PolarHBondContact O-N 3.28Å; V150-G153 PolarHBondContact O-N 3.18Å; K151-G153 VanDerWaalsContact C-N 3.3Å; K151-G153 PolarHBondContact O-N 2.92Å; G153-L156 PolarHBondContact O-N 2.75Å; G153-L157 PolarHBondContact O-N 3.1Å
154S94.6Very high94.4Very high4 Ų445 Ų453%0.02825%0.246CC..Hα-helixtrans-66.7-35.5176.877.70000112.6V150 K151 L156 L157 D158V150-S154 WeakPolarHBondContact O-CB 3.46Å; V150-S154 PolarHBondContact O-N 3.44Å; K151-S154 WeakPolarHBondContact O-CA 3.46Å; K151-S154 WeakPolarHBondContact O-CB 3.35Å; K151-S154 PolarHBondContact O-N 3.24Å; K151-S154 PolarHBondContact O-OG 3.36Å; S154-L156 VanDerWaalsContact C-N 3.34Å; S154-L156 PolarHBondContact O-N 3.21Å; S154-L157 PolarHBondContact O-N 3.11Å; S154-D158 VanDerWaalsContact O-CB 3.28Å; S154-D158 WeakPolarHBondContact O-CB 3.48Å; S154-D158 PolarHBondContact O-N 3.18Å
155E94.2Very high94.7Very high118 Ų11843.7 Ų43.755%0.55124%0.235SC*.Hα-helixtrans-63.9-36.3177.3-73.8167.6-174.600112.5K151 S152 L157 R159K151-E155 WeakPolarHBondContact O-CG 3.2Å; K151-E155 PolarHBondContact O-N 2.65Å; S152-E155 PolarHBondContact O-N 3Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-R159 WeakPolarHBondContact O-CB 3.42Å; E155-R159 PolarHBondContact O-N 3.5Å
156L94.2Very high94.6Very high75 Ų7546.3 Ų46.339%0.39325%0.251SS..Hα-helixtrans-64.3-42.2175.2-63178.6000111.5Y118 S152 G153 S154 L160Y118-L156 HydrophobicContact CD2-CB 4.25Å; Y118-L156 HydrophobicContact CE2-CB 4.24Å; S152-L156 PolarHBondContact O-N 3.17Å; G153-L156 PolarHBondContact O-N 2.75Å; S154-L156 VanDerWaalsContact C-N 3.34Å; S154-L156 PolarHBondContact O-N 3.21Å; L156-L160 WeakPolarHBondContact O-CB 3.42Å; L156-L160 PolarHBondContact O-N 2.95Å; L156-L160 VanDerWaalsContact O-N 3.14Å
157L95.7Very high94.7Very high2 Ų247 Ų471%0.0124%0.244CC..Hα-helixtrans-70.2-42.7177.2175.657.5000112L117 Y118 V121 L139 G153 S154 E155 L160 L161L117-L157 HydrophobicContact CB-CD2 3.96Å; L117-L157 HydrophobicContact CD2-CD2 3.76Å; L117-L157 HydrophobicContact CG-CD2 3.83Å; Y118-L157 HydrophobicContact CD2-CB 4.45Å; V121-L157 HydrophobicContact CB-CD1 3.99Å; V121-L157 HydrophobicContact CG1-CD1 4.17Å; V121-L157 HydrophobicContact CG2-CD1 3.9Å; L139-L157 HydrophobicContact CD1-CD2 4.49Å; L139-L157 HydrophobicContact CD1-CG 4.15Å; L139-L157 HydrophobicContact CD2-CB 4.08Å; L139-L157 HydrophobicContact CD2-CD2 3.66Å; L139-L157 HydrophobicContact CD2-CG 3.79Å; L139-L157 HydrophobicContact CG-CD2 4.24Å; L139-L157 HydrophobicContact CG-CG 4.36Å; G153-L157 PolarHBondContact O-N 3.1Å; S154-L157 PolarHBondContact O-N 3.11Å; E155-L157 VanDerWaalsContact C-N 3.35Å; L157-L160 PolarHBondContact O-N 2.75Å; L157-L161 WeakPolarHBondContact O-CB 3.36Å; L157-L161 PolarHBondContact O-N 3.08Å
158D96.9Very high94.4Very high22 Ų2246.4 Ų46.412%0.11824%0.243CC..Hα-helixtrans-56.1-50.3174.8174.160.7000111.7S154 L160 L161 K162 F194 W198S154-D158 VanDerWaalsContact O-CB 3.28Å; S154-D158 WeakPolarHBondContact O-CB 3.48Å; S154-D158 PolarHBondContact O-N 3.18Å; D158-L160 PolarHBondContact O-N 3.47Å; D158-L161 PolarHBondContact O-N 2.83Å; D158-K162 VanDerWaalsContact CG-NZ 3.35Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 3.34Å; D158-K162 WeakPolarHBondContact OD1-CE 3.38Å; D158-K162 IonicContact OD1-NZ 2.97Å; D158-K162 PolarHBondContact OD1-NZ 3.08Å; D158-K162 WeakPolarHBondContact OD2-CE 3.32Å; D158-K162 IonicContact OD2-NZ 3.61Å; D158-K162 PolarHBondContact OD2-NZ 3.44Å; D158-F194 HydrophobicContact CB-CE2 4.39Å; D158-F194 WeakPolarHBondContact OD1-CE2 3.16Å; D158-W198 VanDerWaalsContact OD1-CE2 3.24Å; D158-W198 WeakPolarHBondContact OD1-CZ2 3.47Å; D158-W198 PolarHBondContact OD1-NE1 3.11Å
159R96.9Very high94.1Very high137 Ų13748.7 Ų48.752%0.51725%0.25SS..Hα-helixtrans-60.8-45.3176.2177.9172.548126.82.2112.5E155 L161 K162 D163E155-R159 WeakPolarHBondContact O-CB 3.42Å; E155-R159 PolarHBondContact O-N 3.5Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.23Å; R159-K162 WeakPolarHBondContact O-CB 3.14Å; R159-K162 PolarHBondContact O-N 2.98Å; R159-D163 VanDerWaalsContact O-CG 3.22Å; R159-D163 PolarHBondContact O-N 2.97Å
160L97.3Very high93.9Very high12 Ų1248.1 Ų48.16%0.06325%0.251CS..Hα-helixtrans-61.1-40.1176.9173.263.4000111.8Y118 V121 K122 L156 L157 D158 D163 I164Y118-L160 HydrophobicContact CD2-CB 4.33Å; Y118-L160 HydrophobicContact CD2-CD2 3.7Å; Y118-L160 HydrophobicContact CE2-CB 3.95Å; Y118-L160 HydrophobicContact CE2-CD2 3.61Å; Y118-L160 HydrophobicContact CE2-CG 4.37Å; Y118-L160 HydrophobicContact CG-CD2 4.35Å; V121-L160 HydrophobicContact CB-CD2 4.25Å; V121-L160 HydrophobicContact CG1-CD2 3.85Å; V121-L160 HydrophobicContact CG1-CG 4.09Å; K122-L160 HydrophobicContact CB-CD2 3.79Å; L156-L160 WeakPolarHBondContact O-CB 3.42Å; L156-L160 PolarHBondContact O-N 2.95Å; L156-L160 VanDerWaalsContact O-N 3.14Å; L157-L160 PolarHBondContact O-N 2.75Å; D158-L160 PolarHBondContact O-N 3.47Å; L160-D163 PolarHBondContact O-N 3.04Å; L160-I164 HydrophobicContact CD1-CD1 4.18Å; L160-I164 HydrophobicContact CD1-CG1 4.43Å; L160-I164 HydrophobicContact CG-CD1 4.08Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.37Å
161L96.9Very high93.9Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-67.5-38.9178.3-16763.6000110.9V121 V128 F132 L135 L139 L157 D158 R159 I164 V165 W198V121-L161 HydrophobicContact CG1-CD1 4.43Å; V128-L161 HydrophobicContact CG1-CD1 4.03Å; F132-L161 HydrophobicContact CD2-CD1 4.15Å; F132-L161 HydrophobicContact CD2-CD2 3.86Å; F132-L161 HydrophobicContact CD2-CG 4.03Å; F132-L161 HydrophobicContact CE2-CD1 4.48Å; F132-L161 HydrophobicContact CE2-CD2 3.67Å; F132-L161 HydrophobicContact CE2-CG 3.87Å; L135-L161 HydrophobicContact CB-CD2 4.08Å; L135-L161 HydrophobicContact CD1-CD1 4.02Å; L139-L161 HydrophobicContact CD1-CD2 3.79Å; L157-L161 WeakPolarHBondContact O-CB 3.36Å; L157-L161 PolarHBondContact O-N 3.08Å; D158-L161 PolarHBondContact O-N 2.83Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 3.23Å; L161-I164 PolarHBondContact O-N 2.78Å; L161-V165 WeakPolarHBondContact O-CG2 3.41Å; L161-V165 PolarHBondContact O-N 3Å; L161-W198 HydrophobicContact CB-CH2 3.92Å; L161-W198 HydrophobicContact CB-CZ2 4.13Å; L161-W198 HydrophobicContact CD2-CH2 3.98Å; L161-W198 HydrophobicContact CD2-CZ2 3.98Å; L161-W198 HydrophobicContact CG-CH2 3.78Å; L161-W198 HydrophobicContact CG-CZ2 4.19Å
162K96.8Very high93.9Very high19 Ų1951.7 Ų51.78%0.08327%0.27CS..Hα-helixtrans-59.1-47.5171.6-74164.5175.8165.10111.3D158 R159 I164 V165 T166 S197 W198 V201D158-K162 VanDerWaalsContact CG-NZ 3.35Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 3.34Å; D158-K162 WeakPolarHBondContact OD1-CE 3.38Å; D158-K162 IonicContact OD1-NZ 2.97Å; D158-K162 PolarHBondContact OD1-NZ 3.08Å; D158-K162 WeakPolarHBondContact OD2-CE 3.32Å; D158-K162 IonicContact OD2-NZ 3.61Å; D158-K162 PolarHBondContact OD2-NZ 3.44Å; R159-K162 WeakPolarHBondContact O-CB 3.14Å; R159-K162 PolarHBondContact O-N 2.98Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.2Å; K162-V165 PolarHBondContact O-N 2.82Å; K162-V165 VanDerWaalsContact O-N 3.17Å; K162-T166 WeakPolarHBondContact O-CG2 3.25Å; K162-T166 PolarHBondContact O-N 3.36Å; K162-T166 PolarHBondContact O-OG1 3.44Å; K162-S197 PolarHBondContact NZ-OG 3.28Å; K162-W198 HydrophobicContact CB-CH2 4.24Å; K162-W198 HydrophobicContact CB-CZ3 4.43Å; K162-W198 HydrophobicContact CD-CZ2 4.39Å; K162-W198 HydrophobicContact CG-CD2 4.17Å; K162-W198 HydrophobicContact CG-CE3 3.96Å; K162-W198 HydrophobicContact CG-CH2 3.44Å; K162-W198 VanDerWaalsContact CG-CH2 3.44Å; K162-W198 HydrophobicContact CG-CZ2 3.65Å; K162-W198 HydrophobicContact CG-CZ3 3.6Å; K162-V201 HydrophobicContact CB-CG1 4.27Å; K162-V201 HydrophobicContact CD-CG2 3.99Å; K162-V201 HydrophobicContact CG-CG1 4.28Å; K162-V201 HydrophobicContact CG-CG2 4.21Å
163D96.5Very high94Very high68 Ų6849.5 Ų49.536%0.36425%0.253SS..Hα-helixtrans-58.7-40.5176.7-63.1-21.6000111.5R159 L160 T166 E167R159-D163 VanDerWaalsContact O-CG 3.22Å; R159-D163 PolarHBondContact O-N 2.97Å; L160-D163 PolarHBondContact O-N 3.04Å; D163-T166 WeakPolarHBondContact CA-OG1 3.35Å; D163-T166 PolarHBondContact O-OG1 2.78Å; D163-T166 VanDerWaalsContact O-OG1 3.06Å; D163-E167 VanDerWaalsContact O-CB 3.28Å; D163-E167 WeakPolarHBondContact O-CB 3.4Å; D163-E167 WeakPolarHBondContact O-CG 3.21Å; D163-E167 PolarHBondContact O-N 3.44Å
164I95.8Very high94.2Very high3 Ų353.5 Ų53.52%0.01528%0.277CS..Hα-helixtrans-66.8-40.4177.3-68.6163.7000111.6V121 L129 L160 L161 K162 S168V121-I164 HydrophobicContact CG1-CD1 3.46Å; V121-I164 VanDerWaalsContact CG1-CD1 3.46Å; L129-I164 HydrophobicContact CD2-CG2 4.02Å; L129-I164 HydrophobicContact CG-CG2 4.27Å; L160-I164 HydrophobicContact CD1-CD1 4.18Å; L160-I164 HydrophobicContact CD1-CG1 4.43Å; L160-I164 HydrophobicContact CG-CD1 4.08Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.39Å; L160-I164 PolarHBondContact O-N 3.37Å; L161-I164 PolarHBondContact O-N 2.78Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.2Å; I164-S168 VanDerWaalsContact O-CB 3.24Å; I164-S168 WeakPolarHBondContact O-CB 3.47Å; I164-S168 PolarHBondContact O-N 3.32Å
165V95.4Very high94.2Very high0 Ų055.8 Ų55.80%029%0.292CS..Hα-helixtrans-67.3-42.6178.1171.10000110.8L129 F132 L161 K162 S168 F171 W198 L202 I208L129-V165 HydrophobicContact CD2-CG2 3.87Å; F132-V165 HydrophobicContact CD2-CG2 4.1Å; F132-V165 HydrophobicContact CE2-CG2 3.77Å; L161-V165 WeakPolarHBondContact O-CG2 3.41Å; L161-V165 PolarHBondContact O-N 3Å; K162-V165 PolarHBondContact O-N 2.82Å; K162-V165 VanDerWaalsContact O-N 3.17Å; V165-S168 PolarHBondContact O-N 3.48Å; V165-F171 HydrophobicContact CG1-CB 4.35Å; V165-F171 HydrophobicContact CG1-CD1 4.4Å; V165-F171 HydrophobicContact CG1-CD2 3.92Å; V165-F171 HydrophobicContact CG1-CE2 4.31Å; V165-F171 HydrophobicContact CG1-CG 3.96Å; V165-F171 HydrophobicContact CG2-CD2 3.84Å; V165-F171 HydrophobicContact CG2-CE2 4.02Å; V165-W198 HydrophobicContact CG2-CH2 4.5Å; V165-W198 HydrophobicContact CG2-CZ3 4.17Å; V165-L202 HydrophobicContact CG1-CD2 3.83Å; V165-I208 HydrophobicContact CG1-CD1 4.25Å
166T93.9Very high94.2Very high67 Ų6750.1 Ų50.141%0.41127%0.266SS..Hα-helixtrans-71.6-28.2179.656.90000113.1K162 D163 V201 V205K162-T166 WeakPolarHBondContact O-CG2 3.25Å; K162-T166 PolarHBondContact O-N 3.36Å; K162-T166 PolarHBondContact O-OG1 3.44Å; D163-T166 WeakPolarHBondContact CA-OG1 3.35Å; D163-T166 PolarHBondContact O-OG1 2.78Å; D163-T166 VanDerWaalsContact O-OG1 3.06Å; T166-V201 HydrophobicContact CG2-CG1 3.57Å; T166-V205 HydrophobicContact CG2-CG2 3.79Å
167E92.6Very high94.3Very high130 Ų13046.6 Ų46.661%0.60725%0.247SC*.THydrogen-bonded Turntrans-81.5-9.7174.5-72.2174.7-158.200113.7R125 D163R125-E167 IonicContact CZ-OE2 2.58Å; R125-E167 IonicContact NH2-OE1 2.6Å; R125-E167 PolarHBondContact NH2-OE1 2.83Å; R125-E167 IonicContact NH2-OE2 3.87Å; R125-E167 PolarHBondContact NH2-OE2 2.87Å; D163-E167 VanDerWaalsContact O-CB 3.28Å; D163-E167 WeakPolarHBondContact O-CB 3.4Å; D163-E167 WeakPolarHBondContact O-CG 3.21Å; D163-E167 PolarHBondContact O-N 3.44Å
168S89.2Confident94.3Very high22 Ų2250 Ų5015%0.15427%0.269CS..  trans-113.7143.2-173.2-170.10000113.4L129 I164 V165 T170L129-S168 WeakPolarHBondContact CD1-OG 3.35Å; I164-S168 VanDerWaalsContact O-CB 3.24Å; I164-S168 WeakPolarHBondContact O-CB 3.47Å; I164-S168 PolarHBondContact O-N 3.32Å; V165-S168 PolarHBondContact O-N 3.48Å; S168-T170 PolarHBondContact OG-N 3.06Å; S168-T170 PolarHBondContact OG-OG1 3.34Å
169N87.3Confident94.2Very high136 Ų13650.2 Ų50.273%0.72727%0.271SS*.SBendtrans-98.37.5171.864.4-13.4000113.5
170T88.1Confident94.1Very high91 Ų9143.7 Ų43.756%0.55825%0.246SC*.  trans-106.99.7-175.460.70000113.5L129 S168 D172L129-T170 WeakPolarHBondContact CD1-OG1 3.36Å; S168-T170 PolarHBondContact OG-N 3.06Å; S168-T170 PolarHBondContact OG-OG1 3.34Å; T170-D172 PolarHBondContact O-N 3.11Å
171F93.6Very high94Very high23 Ų2348.4 Ų48.410%0.10126%0.263CS..  trans-66.3119.5179.6-177.4-104.2000111L129 F132 V165 L173 F176 L202 I208L129-F171 HydrophobicContact CD2-CD2 4.28Å; F132-F171 HydrophobicContact CB-CE2 4.46Å; F132-F171 AromaticContact CD1-CE2 3.5Å; F132-F171 HydrophobicContact CD1-CE2 3.5Å; F132-F171 AromaticContact CD1-CZ 3.94Å; F132-F171 HydrophobicContact CD1-CZ 3.94Å; F132-F171 AromaticContact CD2-CE2 3.86Å; F132-F171 HydrophobicContact CD2-CE2 3.86Å; F132-F171 AromaticContact CE1-CE2 3.52Å; F132-F171 HydrophobicContact CE1-CE2 3.52Å; F132-F171 AromaticContact CE1-CZ 3.63Å; F132-F171 HydrophobicContact CE1-CZ 3.63Å; F132-F171 AromaticContact CE2-CE2 3.88Å; F132-F171 HydrophobicContact CE2-CE2 3.88Å; F132-F171 AromaticContact CG-CE2 3.67Å; F132-F171 HydrophobicContact CG-CE2 3.67Å; F132-F171 AromaticContact CZ-CE2 3.71Å; F132-F171 HydrophobicContact CZ-CE2 3.71Å; F132-F171 AromaticContact CZ-CZ 3.98Å; F132-F171 HydrophobicContact CZ-CZ 3.98Å; V165-F171 HydrophobicContact CG1-CB 4.35Å; V165-F171 HydrophobicContact CG1-CD1 4.4Å; V165-F171 HydrophobicContact CG1-CD2 3.92Å; V165-F171 HydrophobicContact CG1-CE2 4.31Å; V165-F171 HydrophobicContact CG1-CG 3.96Å; V165-F171 HydrophobicContact CG2-CD2 3.84Å; V165-F171 HydrophobicContact CG2-CE2 4.02Å; F171-L173 HydrophobicContact CD1-CB 4.31Å; F171-L173 HydrophobicContact CE1-CB 4.25Å; F171-L173 HydrophobicContact CE1-CD1 4.14Å; F171-L173 PolarHBondContact O-N 3.2Å; F171-L173 VanDerWaalsContact O-N 3.14Å; F171-F176 HydrophobicContact CE1-CB 4.48Å; F171-F176 HydrophobicContact CE1-CD1 4.27Å; F171-F176 HydrophobicContact CZ-CB 4.02Å; F171-F176 AromaticContact CZ-CD1 3.9Å; F171-F176 HydrophobicContact CZ-CD1 3.9Å; F171-F176 HydrophobicContact CZ-CG 4.02Å; F171-L202 HydrophobicContact CD1-CD2 4.2Å; F171-L202 HydrophobicContact CE1-CD2 3.71Å; F171-L202 HydrophobicContact CZ-CD2 4.08Å; F171-I208 HydrophobicContact CB-CD1 4.48Å; F171-I208 HydrophobicContact CD1-CD1 3.82Å; F171-I208 HydrophobicContact CG-CD1 4.41Å
172D93.5Very high93.8Very high85 Ų8554.2 Ų54.246%0.45529%0.29SS..  trans-84.687.1178.3179.512.4000110.6T170 V174 S175 F176T170-D172 PolarHBondContact O-N 3.11Å; D172-V174 PolarHBondContact O-N 3.33Å; D172-V174 WeakPolarHBondContact OD1-CB 3.22Å; D172-V174 PolarHBondContact OD1-N 3.48Å; D172-S175 PolarHBondContact O-OG 3Å; D172-S175 PolarHBondContact OD1-N 3.37Å; D172-S175 WeakPolarHBondContact OD2-CB 3.34Å; D172-S175 PolarHBondContact OD2-OG 3.44Å; D172-F176 PolarHBondContact O-N 3.45Å
173L94Very high93.7Very high18 Ų1856 Ų569%0.09430%0.296CS..Hα-helixtrans-59.2-37.5176.1179.864.2000111.8F171 S175 F176 V177 I208 L210 Y213F171-L173 HydrophobicContact CD1-CB 4.31Å; F171-L173 HydrophobicContact CE1-CB 4.25Å; F171-L173 HydrophobicContact CE1-CD1 4.14Å; F171-L173 PolarHBondContact O-N 3.2Å; F171-L173 VanDerWaalsContact O-N 3.14Å; L173-S175 PolarHBondContact O-N 3.5Å; L173-F176 HydrophobicContact CD1-CD1 4.39Å; L173-F176 PolarHBondContact O-N 2.79Å; L173-F176 VanDerWaalsContact O-N 3.1Å; L173-V177 HydrophobicContact CD1-CG2 3.95Å; L173-V177 HydrophobicContact CG-CG2 4.04Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.18Å; L173-I208 HydrophobicContact CD1-CG2 4.16Å; L173-I208 HydrophobicContact CD2-CG2 3.82Å; L173-I208 HydrophobicContact CG-CG2 4.42Å; L173-L210 HydrophobicContact CD1-CD1 4.08Å; L173-Y213 HydrophobicContact CD2-CD2 3.85Å; L173-Y213 HydrophobicContact CD2-CE2 3.65Å; L173-Y213 HydrophobicContact CG-CD2 4.32Å; L173-Y213 HydrophobicContact CG-CE2 4.02Å
174V94.6Very high93.6Very high92 Ų9252.8 Ų52.856%0.55828%0.279SS*.Hα-helixtrans-61.9-44.9-173.5-174.50000110.8D172 F176 P178 Y213D172-V174 PolarHBondContact O-N 3.33Å; D172-V174 WeakPolarHBondContact OD1-CB 3.22Å; D172-V174 PolarHBondContact OD1-N 3.48Å; V174-F176 VanDerWaalsContact C-N 3.31Å; V174-F176 PolarHBondContact O-N 3.15Å; V174-P178 WeakPolarHBondContact O-CD 3.35Å; V174-Y213 WeakPolarHBondContact CG2-OH 3.33Å
175S94.4Very high93.5Very high51 Ų5156.9 Ų56.936%0.35730%0.295SS..Hα-helixtrans-74.4-20.617868.60000113.7N133 D172 L173N133-S175 PolarHBondContact ND2-O 3.29Å; N133-S175 VanDerWaalsContact ND2-O 3.1Å; N133-S175 PolarHBondContact ND2-OG 3.43Å; D172-S175 PolarHBondContact O-OG 3Å; D172-S175 PolarHBondContact OD1-N 3.37Å; D172-S175 WeakPolarHBondContact OD2-CB 3.34Å; D172-S175 PolarHBondContact OD2-OG 3.44Å; L173-S175 PolarHBondContact O-N 3.5Å
176F95.8Very high93.4Very high0 Ų058.6 Ų58.60%031%0.307CS..Hα-helixtrans-81.1-38.6179.2173.3-122.3000113.5F132 N133 F136 F171 D172 L173 V174 P178 L179 L180 L202F132-F176 HydrophobicContact CD1-CD2 4.04Å; F132-F176 HydrophobicContact CD1-CG 4.37Å; F132-F176 HydrophobicContact CE1-CD1 4.35Å; F132-F176 AromaticContact CE1-CD2 3.5Å; F132-F176 HydrophobicContact CE1-CD2 3.5Å; F132-F176 VanDerWaalsContact CE1-CD2 3.5Å; F132-F176 AromaticContact CE1-CE2 3.68Å; F132-F176 HydrophobicContact CE1-CE2 3.68Å; F132-F176 AromaticContact CE1-CG 3.85Å; F132-F176 HydrophobicContact CE1-CG 3.85Å; F132-F176 HydrophobicContact CE1-CZ 4.18Å; F132-F176 HydrophobicContact CZ-CE2 4.49Å; N133-F176 WeakPolarHBondContact OD1-CA 3.22Å; F136-F176 AromaticContact CD1-CE2 3.75Å; F136-F176 HydrophobicContact CD1-CE2 3.75Å; F136-F176 HydrophobicContact CD1-CZ 4.46Å; F136-F176 AromaticContact CD2-CE2 3.76Å; F136-F176 HydrophobicContact CD2-CE2 3.76Å; F136-F176 AromaticContact CD2-CZ 3.97Å; F136-F176 HydrophobicContact CD2-CZ 3.97Å; F136-F176 AromaticContact CE1-CE2 3.73Å; F136-F176 HydrophobicContact CE1-CE2 3.73Å; F136-F176 HydrophobicContact CE1-CZ 4.09Å; F136-F176 AromaticContact CE2-CE2 3.74Å; F136-F176 HydrophobicContact CE2-CE2 3.74Å; F136-F176 AromaticContact CE2-CZ 3.54Å; F136-F176 HydrophobicContact CE2-CZ 3.54Å; F136-F176 AromaticContact CG-CE2 3.74Å; F136-F176 HydrophobicContact CG-CE2 3.74Å; F136-F176 HydrophobicContact CG-CZ 4.39Å; F136-F176 AromaticContact CZ-CE2 3.71Å; F136-F176 HydrophobicContact CZ-CE2 3.71Å; F136-F176 AromaticContact CZ-CZ 3.59Å; F136-F176 HydrophobicContact CZ-CZ 3.59Å; F171-F176 HydrophobicContact CE1-CB 4.48Å; F171-F176 HydrophobicContact CE1-CD1 4.27Å; F171-F176 HydrophobicContact CZ-CB 4.02Å; F171-F176 AromaticContact CZ-CD1 3.9Å; F171-F176 HydrophobicContact CZ-CD1 3.9Å; F171-F176 HydrophobicContact CZ-CG 4.02Å; D172-F176 PolarHBondContact O-N 3.45Å; L173-F176 HydrophobicContact CD1-CD1 4.39Å; L173-F176 PolarHBondContact O-N 2.79Å; L173-F176 VanDerWaalsContact O-N 3.1Å; V174-F176 VanDerWaalsContact C-N 3.31Å; V174-F176 PolarHBondContact O-N 3.15Å; F176-P178 VanDerWaalsContact C-CD 3.44Å; F176-L179 HydrophobicContact CD2-CB 4.47Å; F176-L179 WeakPolarHBondContact O-CB 3.32Å; F176-L179 PolarHBondContact O-N 3.05Å; F176-L180 HydrophobicContact CE1-CB 3.99Å; F176-L180 HydrophobicContact CE1-CD1 4.44Å; F176-L180 HydrophobicContact CE1-CD2 4.04Å; F176-L180 HydrophobicContact CE1-CG 4.39Å; F176-L180 HydrophobicContact CE2-CB 4.37Å; F176-L180 HydrophobicContact CZ-CB 3.91Å; F176-L180 HydrophobicContact CZ-CD1 4.16Å; F176-L180 HydrophobicContact CZ-CG 4.43Å; F176-L180 PolarHBondContact O-N 2.94Å; F176-L180 VanDerWaalsContact O-N 3.16Å; F176-L202 HydrophobicContact CD1-CD1 4Å; F176-L202 HydrophobicContact CE1-CD1 3.49Å; F176-L202 VanDerWaalsContact CE1-CD1 3.49Å; F176-L202 HydrophobicContact CZ-CD1 4.5Å
177V95.3Very high93.1Very high1 Ų162.2 Ų62.21%0.00632%0.324CS..Hα-helixtrans-51.3-42.5-174168.90000114.1L173 L179 L180 R181 Y213 E216L173-V177 HydrophobicContact CD1-CG2 3.95Å; L173-V177 HydrophobicContact CG-CG2 4.04Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.18Å; V177-L179 VanDerWaalsContact C-N 3.27Å; V177-L179 PolarHBondContact O-N 3.05Å; V177-L180 WeakPolarHBondContact O-CB 3.47Å; V177-L180 PolarHBondContact O-N 3.08Å; V177-L180 VanDerWaalsContact O-N 3.16Å; V177-R181 WeakPolarHBondContact O-CB 3.38Å; V177-R181 PolarHBondContact O-N 3.08Å; V177-Y213 HydrophobicContact CB-CD1 4.09Å; V177-Y213 HydrophobicContact CB-CE1 4.37Å; V177-Y213 HydrophobicContact CB-CG 4.38Å; V177-Y213 HydrophobicContact CG1-CD1 3.65Å; V177-Y213 HydrophobicContact CG1-CE1 4.31Å; V177-Y213 HydrophobicContact CG1-CG 4.02Å; V177-Y213 HydrophobicContact CG2-CD1 3.76Å; V177-Y213 HydrophobicContact CG2-CD2 3.83Å; V177-Y213 HydrophobicContact CG2-CE1 4.07Å; V177-Y213 HydrophobicContact CG2-CE2 4.17Å; V177-Y213 HydrophobicContact CG2-CG 3.6Å; V177-E216 WeakPolarHBondContact CG1-OE2 3.31Å
178P95.6Very high93.1Very high72 Ų7259 Ų5947%0.46831%0.311SS..Hα-helixtrans-57.3-38.9177.1-26.635.5000113.6V174 F176 E182V174-P178 WeakPolarHBondContact O-CD 3.35Å; F176-P178 VanDerWaalsContact C-CD 3.44Å; P178-E182 PolarHBondContact O-N 2.77Å
179L94.9Very high93.2Very high28 Ų2862.2 Ų62.215%0.14732%0.324CS..Hα-helixtrans-70.6-40.2177.9-177.760.7000111.3N133 F136 D137 F176 V177 E182 R183N133-L179 HydrophobicContact CB-CD2 4.17Å; N133-L179 WeakPolarHBondContact O-CD2 3.34Å; F136-L179 HydrophobicContact CB-CD2 4.42Å; F136-L179 HydrophobicContact CD1-CD2 3.66Å; F136-L179 HydrophobicContact CD1-CG 4.11Å; F136-L179 HydrophobicContact CE1-CD2 4.4Å; F136-L179 HydrophobicContact CE1-CG 4.38Å; F136-L179 HydrophobicContact CG-CD2 4.42Å; D137-L179 HydrophobicContact CB-CD2 4.44Å; F176-L179 HydrophobicContact CD2-CB 4.47Å; F176-L179 WeakPolarHBondContact O-CB 3.32Å; F176-L179 PolarHBondContact O-N 3.05Å; V177-L179 VanDerWaalsContact C-N 3.27Å; V177-L179 PolarHBondContact O-N 3.05Å; L179-E182 PolarHBondContact O-N 3.37Å; L179-R183 HydrophobicContact CD1-CG 4.23Å; L179-R183 VanDerWaalsContact O-CG 3.32Å; L179-R183 WeakPolarHBondContact O-CG 3.44Å; L179-R183 PolarHBondContact O-N 3.32Å; L179-R183 VanDerWaalsContact O-N 3.12Å
180L95.9Very high93.5Very high0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-61.4-45.6174.8-178.861.8000111.5F176 V177 E182 R183 I184 I195 I199 I217F176-L180 HydrophobicContact CE1-CB 3.99Å; F176-L180 HydrophobicContact CE1-CD1 4.44Å; F176-L180 HydrophobicContact CE1-CD2 4.04Å; F176-L180 HydrophobicContact CE1-CG 4.39Å; F176-L180 HydrophobicContact CE2-CB 4.37Å; F176-L180 HydrophobicContact CZ-CB 3.91Å; F176-L180 HydrophobicContact CZ-CD1 4.16Å; F176-L180 HydrophobicContact CZ-CG 4.43Å; F176-L180 PolarHBondContact O-N 2.94Å; F176-L180 VanDerWaalsContact O-N 3.16Å; V177-L180 WeakPolarHBondContact O-CB 3.47Å; V177-L180 PolarHBondContact O-N 3.08Å; V177-L180 VanDerWaalsContact O-N 3.16Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 2.71Å; L180-R183 PolarHBondContact O-N 2.96Å; L180-R183 VanDerWaalsContact O-N 3.15Å; L180-I184 PolarHBondContact O-N 2.94Å; L180-I195 HydrophobicContact CD1-CD1 4.46Å; L180-I195 HydrophobicContact CD1-CG2 3.73Å; L180-I199 HydrophobicContact CD1-CD1 4.11Å; L180-I199 HydrophobicContact CD1-CG1 3.97Å; L180-I199 HydrophobicContact CD2-CD1 4.43Å; L180-I199 HydrophobicContact CD2-CG1 4.06Å; L180-I217 HydrophobicContact CD2-CG2 4.28Å; L180-I217 HydrophobicContact CG-CG2 4.37Å
181R94.4Very high93.7Very high110 Ų11056.1 Ų56.142%0.41528%0.283SS..Hα-helixtrans-58.8-38.7178.5-165.6-163.6-54.6175.96.8112.2V177 I184 Y185 E216V177-R181 WeakPolarHBondContact O-CB 3.38Å; V177-R181 PolarHBondContact O-N 3.08Å; R181-I184 WeakPolarHBondContact O-CG2 3.48Å; R181-Y185 WeakPolarHBondContact O-CD2 3.4Å; R181-E216 HydrophobicContact CG-CB 4.33Å; R181-E216 VanDerWaalsContact CZ-CD 3.48Å; R181-E216 IonicContact CZ-OE1 3.85Å; R181-E216 IonicContact CZ-OE2 2.86Å; R181-E216 IonicContact NE-OE2 2.67Å; R181-E216 PolarHBondContact NE-OE2 2.89Å; R181-E216 IonicContact NH2-OE1 3Å; R181-E216 PolarHBondContact NH2-OE1 3.37Å; R181-E216 VanDerWaalsContact NH2-OE1 3.11Å; R181-E216 IonicContact NH2-OE2 3.99Å; R181-E216 PolarHBondContact NH2-OE2 3.24Å
182E92.3Very high93.8Very high123 Ų12356.3 Ų56.358%0.57528%0.283SS*.Hα-helixtrans-68.5-44.4175.2-172.2-165.2124.400111.5P178 L179 L180P178-E182 PolarHBondContact O-N 2.77Å; L179-E182 PolarHBondContact O-N 3.37Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 2.71Å
183R93.9Very high93.9Very high55 Ų5556 Ų5621%0.20828%0.279CS..Hα-helixtrans-84.3-18.6-167.8-65.6-65.9167.998.75115.1D137 S140 L179 L180 Y185 S186 I195D137-R183 IonicContact OD1-CZ 3.3Å; D137-R183 IonicContact OD1-NH1 3.57Å; D137-R183 PolarHBondContact OD1-NH1 3.42Å; D137-R183 IonicContact OD1-NH2 2.67Å; D137-R183 PolarHBondContact OD1-NH2 2.74Å; S140-R183 PolarHBondContact OG-NH1 3.2Å; L179-R183 HydrophobicContact CD1-CG 4.23Å; L179-R183 VanDerWaalsContact O-CG 3.32Å; L179-R183 WeakPolarHBondContact O-CG 3.44Å; L179-R183 PolarHBondContact O-N 3.32Å; L179-R183 VanDerWaalsContact O-N 3.12Å; L180-R183 PolarHBondContact O-N 2.96Å; L180-R183 VanDerWaalsContact O-N 3.15Å; R183-Y185 PolarHBondContact O-N 2.85Å; R183-S186 WeakPolarHBondContact O-CB 3.48Å; R183-S186 PolarHBondContact O-N 3.25Å; R183-S186 VanDerWaalsContact O-N 3.13Å; R183-I195 HydrophobicContact CB-CD1 3.73Å; R183-I195 HydrophobicContact CB-CG1 4.35Å
184I95.6Very high93.9Very high1 Ų155.9 Ų55.91%0.00528%0.278CS..THydrogen-bonded Turntrans-61-24.8178.7-158.5167.7000113.1L180 R181 S186 I195 I199 I217 L221 I224L180-I184 PolarHBondContact O-N 2.94Å; R181-I184 WeakPolarHBondContact O-CG2 3.48Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 PolarHBondContact O-N 3.32Å; I184-I195 HydrophobicContact CB-CG2 4.35Å; I184-I195 HydrophobicContact CG1-CG2 4.14Å; I184-I199 HydrophobicContact CD1-CD1 3.96Å; I184-I217 HydrophobicContact CD1-CB 3.91Å; I184-I217 WeakPolarHBondContact CD1-O 3.28Å; I184-L221 HydrophobicContact CD1-CD2 4.12Å; I184-L221 HydrophobicContact CD1-CG 4.03Å; I184-I224 HydrophobicContact CG1-CD1 3.71Å
185Y94.1Very high94.1Very high89 Ų8951.6 Ų51.635%0.34925%0.252SS..THydrogen-bonded Turntrans-84.79.1178.8-66.6-70.6000114.7R181 R183 D219 Q223R181-Y185 WeakPolarHBondContact O-CD2 3.4Å; R183-Y185 PolarHBondContact O-N 2.85Å; Y185-D219 WeakPolarHBondContact CE1-OD2 3.45Å; Y185-D219 PolarHBondContact OH-OD2 2.94Å; Y185-Q223 VanDerWaalsContact CE1-NE2 3.33Å
186S91.8Very high94.2Very high37 Ų3749.3 Ų49.326%0.25924%0.235SC..  trans-59.7139.9178.1-176.70000112R183 I184 N188 A191 R192R183-S186 WeakPolarHBondContact O-CB 3.48Å; R183-S186 PolarHBondContact O-N 3.25Å; R183-S186 VanDerWaalsContact O-N 3.13Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 PolarHBondContact O-N 3.32Å; S186-N188 PolarHBondContact OG-N 3.31Å; S186-A191 VanDerWaalsContact OG-CB 3.3Å; S186-A191 WeakPolarHBondContact OG-CB 3.27Å; S186-R192 WeakPolarHBondContact O-CG 3.1Å; S186-R192 PolarHBondContact O-NE 2.91Å; S186-R192 PolarHBondContact O-NH2 2.9Å
187N89.1Confident94.2Very high143 Ų14351.1 Ų51.177%0.76525%0.248SC*.  trans-89.3-5.4175.9-69.4-36.6000113.5
188N91.2Very high94.3Very high62 Ų6251.1 Ų51.133%0.33225%0.248SC..  trans-85.5126.7-179.5-175.2-56000110.6S186 Y190 A191 R192S186-N188 PolarHBondContact OG-N 3.31Å; N188-Y190 VanDerWaalsContact C-N 3.29Å; N188-Y190 PolarHBondContact O-N 3.5Å; N188-Y190 WeakPolarHBondContact OD1-CB 3.36Å; N188-Y190 PolarHBondContact OD1-N 3.36Å; N188-A191 HydrophobicContact CB-CB 3.94Å; N188-A191 PolarHBondContact O-N 2.99Å; N188-A191 PolarHBondContact OD1-N 3.21Å; N188-R192 WeakPolarHBondContact O-CG 3.23Å; N188-R192 PolarHBondContact O-N 2.95Å
189Q93.1Very high94.4Very high90 Ų9047.7 Ų47.742%0.42123%0.226SC..Hα-helixtrans-55.7-40.2-178.769.7177.9-25.500113.3R192 Q193 I232Q189-R192 PolarHBondContact O-N 2.93Å; Q189-Q193 WeakPolarHBondContact O-CB 3.4Å; Q189-Q193 PolarHBondContact O-N 3.29Å; Q189-I232 HydrophobicContact CB-CD1 4.16Å; Q189-I232 WeakPolarHBondContact O-CD1 3.18Å
190Y92.3Very high94.4Very high88 Ų8849.5 Ų49.535%0.34523%0.234SC..Hα-helixtrans-74.1-36.9-177.4-61-70.8000111S143 N188 Q193 F194S143-Y190 VanDerWaalsContact O-CB 3.3Å; S143-Y190 WeakPolarHBondContact O-CB 3.45Å; N188-Y190 VanDerWaalsContact C-N 3.29Å; N188-Y190 PolarHBondContact O-N 3.5Å; N188-Y190 WeakPolarHBondContact OD1-CB 3.36Å; N188-Y190 PolarHBondContact OD1-N 3.36Å; Y190-Q193 PolarHBondContact O-N 3.22Å; Y190-F194 WeakPolarHBondContact O-CB 3.34Å; Y190-F194 PolarHBondContact O-N 3.26Å
191A92.8Very high94.4Very high11 Ų1150.8 Ų50.89%0.09124%0.241CC..Hα-helixtrans-62.9-44.6171.900000111S186 N188 Q193 F194 I195S186-A191 VanDerWaalsContact OG-CB 3.3Å; S186-A191 WeakPolarHBondContact OG-CB 3.27Å; N188-A191 HydrophobicContact CB-CB 3.94Å; N188-A191 PolarHBondContact O-N 2.99Å; N188-A191 PolarHBondContact OD1-N 3.21Å; A191-Q193 PolarHBondContact O-N 2.82Å; A191-F194 WeakPolarHBondContact O-CB 3.35Å; A191-F194 PolarHBondContact O-N 3.43Å; A191-I195 VanDerWaalsContact O-CG1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.47Å; A191-I195 PolarHBondContact O-N 2.89Å
192R94.7Very high94.5Very high26 Ų2645.6 Ų45.610%0.09822%0.222CC..Hα-helixtrans-59.9-44.4175.1-70.9178174.1-149.1-6.8112.2S186 N188 Q189 F194 I195 I196 Q223 I224 D227S186-R192 WeakPolarHBondContact O-CG 3.1Å; S186-R192 PolarHBondContact O-NE 2.91Å; S186-R192 PolarHBondContact O-NH2 2.9Å; N188-R192 WeakPolarHBondContact O-CG 3.23Å; N188-R192 PolarHBondContact O-N 2.95Å; Q189-R192 PolarHBondContact O-N 2.93Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-F194 PolarHBondContact O-N 3.33Å; R192-I195 PolarHBondContact O-N 2.99Å; R192-I196 WeakPolarHBondContact O-CG2 3.39Å; R192-I196 PolarHBondContact O-N 3.35Å; R192-Q223 PolarHBondContact NH1-O 3.02Å; R192-I224 HydrophobicContact CB-CG1 4.32Å; R192-I224 HydrophobicContact CB-CG2 4.46Å; R192-I224 HydrophobicContact CG-CG1 4.09Å; R192-D227 WeakPolarHBondContact CD-OD2 3.39Å; R192-D227 IonicContact CZ-OD2 2.72Å; R192-D227 IonicContact NE-OD2 2.77Å; R192-D227 IonicContact NH1-OD2 2.65Å; R192-D227 PolarHBondContact NH1-OD2 3.19Å
193Q95.3Very high94.5Very high80 Ų8041.4 Ų41.437%0.37420%0.202SC..Hα-helixtrans-59.7-42.4175.1-175.1177.5-2.700112Q189 Y190 A191 I196 S197 I232Q189-Q193 WeakPolarHBondContact O-CB 3.4Å; Q189-Q193 PolarHBondContact O-N 3.29Å; Y190-Q193 PolarHBondContact O-N 3.22Å; A191-Q193 PolarHBondContact O-N 2.82Å; Q193-I196 WeakPolarHBondContact O-CG2 3.16Å; Q193-S197 VanDerWaalsContact O-CB 3.26Å; Q193-S197 WeakPolarHBondContact O-CB 3.48Å; Q193-S197 PolarHBondContact O-N 3.21Å; Q193-S197 VanDerWaalsContact O-N 3.07Å; Q193-I232 HydrophobicContact CB-CD1 3.95Å; Q193-I232 HydrophobicContact CB-CG1 4.04Å; Q193-I232 HydrophobicContact CG-CG1 4.43Å
194F96Very high94.4Very high14 Ų1442.2 Ų42.26%0.06122%0.216CC..Hα-helixtrans-62.6-50.2175.8175.4-94.2000111.4F136 L139 D158 Y190 A191 R192 S197 W198F136-F194 HydrophobicContact CD2-CE1 4.01Å; F136-F194 HydrophobicContact CD2-CZ 4.09Å; F136-F194 HydrophobicContact CE1-CE1 4.14Å; F136-F194 AromaticContact CE2-CE1 3.58Å; F136-F194 HydrophobicContact CE2-CE1 3.58Å; F136-F194 HydrophobicContact CE2-CZ 4.04Å; F136-F194 HydrophobicContact CG-CE1 4.47Å; F136-F194 HydrophobicContact CZ-CD1 4.41Å; F136-F194 AromaticContact CZ-CE1 3.67Å; F136-F194 HydrophobicContact CZ-CE1 3.67Å; L139-F194 HydrophobicContact CB-CE2 3.96Å; L139-F194 HydrophobicContact CB-CZ 3.76Å; D158-F194 HydrophobicContact CB-CE2 4.39Å; D158-F194 WeakPolarHBondContact OD1-CE2 3.16Å; Y190-F194 WeakPolarHBondContact O-CB 3.34Å; Y190-F194 PolarHBondContact O-N 3.26Å; A191-F194 WeakPolarHBondContact O-CB 3.35Å; A191-F194 PolarHBondContact O-N 3.43Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-F194 PolarHBondContact O-N 3.33Å; F194-S197 PolarHBondContact O-N 3.14Å; F194-W198 AromaticContact CD1-CD1 3.94Å; F194-W198 AromaticContact CD2-CD1 4Å; F194-W198 AromaticContact CD2-NE1 3.9Å; F194-W198 AromaticContact CE1-CD1 3.6Å; F194-W198 AromaticContact CE1-NE1 3.75Å; F194-W198 AromaticContact CE2-CD1 3.68Å; F194-W198 AromaticContact CE2-NE1 3.19Å; F194-W198 AromaticContact CZ-CD1 3.47Å; F194-W198 VanDerWaalsContact CZ-CD1 3.47Å; F194-W198 AromaticContact CZ-NE1 3.1Å; F194-W198 VanDerWaalsContact O-CD1 3.31Å; F194-W198 PolarHBondContact O-N 3.45Å; F194-W198 VanDerWaalsContact O-N 3.08Å
195I96.9Very high94.2Very high3 Ų342.9 Ų42.92%0.01522%0.221CC..Hα-helixtrans-60.7-49.5180-64.5-58000111.4F136 L180 R183 I184 A191 R192 S197 W198 I199 I224F136-I195 HydrophobicContact CE1-CD1 3.93Å; F136-I195 HydrophobicContact CZ-CD1 3.54Å; L180-I195 HydrophobicContact CD1-CD1 4.46Å; L180-I195 HydrophobicContact CD1-CG2 3.73Å; R183-I195 HydrophobicContact CB-CD1 3.73Å; R183-I195 HydrophobicContact CB-CG1 4.35Å; I184-I195 HydrophobicContact CB-CG2 4.35Å; I184-I195 HydrophobicContact CG1-CG2 4.14Å; A191-I195 VanDerWaalsContact O-CG1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.47Å; A191-I195 PolarHBondContact O-N 2.89Å; R192-I195 PolarHBondContact O-N 2.99Å; I195-S197 VanDerWaalsContact C-N 3.27Å; I195-S197 PolarHBondContact O-N 3.39Å; I195-W198 PolarHBondContact O-N 3.46Å; I195-W198 VanDerWaalsContact O-N 3.14Å; I195-I199 HydrophobicContact CG2-CD1 3.9Å; I195-I199 HydrophobicContact CG2-CG1 4.43Å; I195-I199 WeakPolarHBondContact O-CG1 3.27Å; I195-I199 PolarHBondContact O-N 3.49Å; I195-I224 HydrophobicContact CG2-CD1 4.47Å
196I96.6Very high93.8Very high2 Ų244 Ų441%0.0124%0.239CC..Hα-helixtrans-64.9-33.5-179.1-165.262.5000111.9R192 Q193 I199 H200 L221 T235 C236 V239R192-I196 WeakPolarHBondContact O-CG2 3.39Å; R192-I196 PolarHBondContact O-N 3.35Å; Q193-I196 WeakPolarHBondContact O-CG2 3.16Å; I196-I199 PolarHBondContact O-N 3.47Å; I196-H200 WeakPolarHBondContact O-CB 2.87Å; I196-H200 PolarHBondContact O-N 3.2Å; I196-L221 HydrophobicContact CD1-CD2 3.57Å; I196-T235 HydrophobicContact CG1-CG2 4.14Å; I196-T235 HydrophobicContact CG2-CG2 4.17Å; I196-C236 HydrophobicContact CD1-CB 4.16Å; I196-C236 HydrophobicContact CG1-CB 4.17Å; I196-V239 HydrophobicContact CD1-CB 3.95Å; I196-V239 HydrophobicContact CD1-CG1 3.99Å; I196-V239 HydrophobicContact CD1-CG2 3.87Å; I196-V239 HydrophobicContact CG1-CG2 4.14Å
197S96.6Very high93.6Very high39 Ų3948.2 Ų48.227%0.27326%0.258SS..Hα-helixtrans-65.7-37.7175-179.30000112.3K162 Q193 F194 I195 V201K162-S197 PolarHBondContact NZ-OG 3.28Å; Q193-S197 VanDerWaalsContact O-CB 3.26Å; Q193-S197 WeakPolarHBondContact O-CB 3.48Å; Q193-S197 PolarHBondContact O-N 3.21Å; Q193-S197 VanDerWaalsContact O-N 3.07Å; F194-S197 PolarHBondContact O-N 3.14Å; I195-S197 VanDerWaalsContact C-N 3.27Å; I195-S197 PolarHBondContact O-N 3.39Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 3.09Å; S197-V201 VanDerWaalsContact O-N 3.14Å
198W97.4Very high93.6Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-69.5-43.7174.3-85.9101.9000112.8F132 F136 D158 L161 K162 V165 F194 I195 H200 V201 L202F132-W198 AromaticContact CE2-CH2 3.69Å; F132-W198 HydrophobicContact CE2-CH2 3.69Å; F132-W198 HydrophobicContact CE2-CZ2 4.4Å; F132-W198 AromaticContact CE2-CZ3 3.78Å; F132-W198 HydrophobicContact CE2-CZ3 3.78Å; F132-W198 HydrophobicContact CZ-CE3 4.15Å; F132-W198 HydrophobicContact CZ-CH2 4.03Å; F132-W198 AromaticContact CZ-CZ3 3.81Å; F132-W198 HydrophobicContact CZ-CZ3 3.81Å; F136-W198 HydrophobicContact CD2-CD2 4.23Å; F136-W198 HydrophobicContact CD2-CG 4.29Å; F136-W198 HydrophobicContact CE2-CB 4.04Å; F136-W198 AromaticContact CE2-CD1 3.56Å; F136-W198 AromaticContact CE2-CD2 3.97Å; F136-W198 HydrophobicContact CE2-CD2 3.97Å; F136-W198 AromaticContact CE2-CG 3.58Å; F136-W198 HydrophobicContact CE2-CG 3.58Å; F136-W198 AromaticContact CE2-NE1 3.93Å; D158-W198 VanDerWaalsContact OD1-CE2 3.24Å; D158-W198 WeakPolarHBondContact OD1-CZ2 3.47Å; D158-W198 PolarHBondContact OD1-NE1 3.11Å; L161-W198 HydrophobicContact CB-CH2 3.92Å; L161-W198 HydrophobicContact CB-CZ2 4.13Å; L161-W198 HydrophobicContact CD2-CH2 3.98Å; L161-W198 HydrophobicContact CD2-CZ2 3.98Å; L161-W198 HydrophobicContact CG-CH2 3.78Å; L161-W198 HydrophobicContact CG-CZ2 4.19Å; K162-W198 HydrophobicContact CB-CH2 4.24Å; K162-W198 HydrophobicContact CB-CZ3 4.43Å; K162-W198 HydrophobicContact CD-CZ2 4.39Å; K162-W198 HydrophobicContact CG-CD2 4.17Å; K162-W198 HydrophobicContact CG-CE3 3.96Å; K162-W198 HydrophobicContact CG-CH2 3.44Å; K162-W198 VanDerWaalsContact CG-CH2 3.44Å; K162-W198 HydrophobicContact CG-CZ2 3.65Å; K162-W198 HydrophobicContact CG-CZ3 3.6Å; V165-W198 HydrophobicContact CG2-CH2 4.5Å; V165-W198 HydrophobicContact CG2-CZ3 4.17Å; F194-W198 AromaticContact CD1-CD1 3.94Å; F194-W198 AromaticContact CD2-CD1 4Å; F194-W198 AromaticContact CD2-NE1 3.9Å; F194-W198 AromaticContact CE1-CD1 3.6Å; F194-W198 AromaticContact CE1-NE1 3.75Å; F194-W198 AromaticContact CE2-CD1 3.68Å; F194-W198 AromaticContact CE2-NE1 3.19Å; F194-W198 AromaticContact CZ-CD1 3.47Å; F194-W198 VanDerWaalsContact CZ-CD1 3.47Å; F194-W198 AromaticContact CZ-NE1 3.1Å; F194-W198 VanDerWaalsContact O-CD1 3.31Å; F194-W198 PolarHBondContact O-N 3.45Å; F194-W198 VanDerWaalsContact O-N 3.08Å; I195-W198 PolarHBondContact O-N 3.46Å; I195-W198 VanDerWaalsContact O-N 3.14Å; W198-H200 VanDerWaalsContact C-N 3.27Å; W198-H200 PolarHBondContact O-N 3.48Å; W198-V201 PolarHBondContact O-N 3.2Å; W198-L202 WeakPolarHBondContact O-CB 3.09Å; W198-L202 VanDerWaalsContact O-CG 3.28Å; W198-L202 WeakPolarHBondContact O-CG 3.19Å; W198-L202 PolarHBondContact O-N 3.22Å
199I97.3Very high93.6Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-57.5-44.5175-66.6174.2000110.1L180 I184 I195 I196 V201 L202 E203 L210 L221 V239 F243L180-I199 HydrophobicContact CD1-CD1 4.11Å; L180-I199 HydrophobicContact CD1-CG1 3.97Å; L180-I199 HydrophobicContact CD2-CD1 4.43Å; L180-I199 HydrophobicContact CD2-CG1 4.06Å; I184-I199 HydrophobicContact CD1-CD1 3.96Å; I195-I199 HydrophobicContact CG2-CD1 3.9Å; I195-I199 HydrophobicContact CG2-CG1 4.43Å; I195-I199 WeakPolarHBondContact O-CG1 3.27Å; I195-I199 PolarHBondContact O-N 3.49Å; I196-I199 PolarHBondContact O-N 3.47Å; I199-V201 PolarHBondContact O-N 3.41Å; I199-L202 PolarHBondContact O-N 3.16Å; I199-E203 WeakPolarHBondContact O-CB 3.38Å; I199-E203 PolarHBondContact O-N 3.28Å; I199-L210 HydrophobicContact CG2-CD2 3.91Å; I199-L221 HydrophobicContact CD1-CD2 3.72Å; I199-V239 HydrophobicContact CG2-CG1 3.59Å; I199-F243 HydrophobicContact CG2-CE2 3.96Å; I199-F243 HydrophobicContact CG2-CZ 4.19Å
200H95.9Very high93.6Very high67 Ų6740.4 Ų40.431%0.3122%0.215SC..Hα-helixtrans-60.4-44.7177.8-174.347.1000112.9I196 W198 S204 V239I196-H200 WeakPolarHBondContact O-CB 2.87Å; I196-H200 PolarHBondContact O-N 3.2Å; W198-H200 VanDerWaalsContact C-N 3.27Å; W198-H200 PolarHBondContact O-N 3.48Å; H200-S204 PolarHBondContact O-N 3.18Å; H200-S204 PolarHBondContact O-OG 3.41Å; H200-V239 HydrophobicContact CB-CG2 3.62Å
201V95.8Very high93.6Very high27 Ų2736.7 Ų36.716%0.16420%0.202CC..Hα-helixtrans-65.2-45.2178170.20000111.3K162 T166 S197 W198 I199 S204 V205K162-V201 HydrophobicContact CB-CG1 4.27Å; K162-V201 HydrophobicContact CD-CG2 3.99Å; K162-V201 HydrophobicContact CG-CG1 4.28Å; K162-V201 HydrophobicContact CG-CG2 4.21Å; T166-V201 HydrophobicContact CG2-CG1 3.57Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 3.09Å; S197-V201 VanDerWaalsContact O-N 3.14Å; W198-V201 PolarHBondContact O-N 3.2Å; I199-V201 PolarHBondContact O-N 3.41Å; V201-S204 PolarHBondContact O-N 3.34Å; V201-V205 WeakPolarHBondContact O-CG2 3.38Å
202L95.2Very high93.6Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-65-39.7-178.7-69172.5000112.1V165 F171 F176 W198 I199 S204 V205 I208 L210V165-L202 HydrophobicContact CG1-CD2 3.83Å; F171-L202 HydrophobicContact CD1-CD2 4.2Å; F171-L202 HydrophobicContact CE1-CD2 3.71Å; F171-L202 HydrophobicContact CZ-CD2 4.08Å; F176-L202 HydrophobicContact CD1-CD1 4Å; F176-L202 HydrophobicContact CE1-CD1 3.49Å; F176-L202 VanDerWaalsContact CE1-CD1 3.49Å; F176-L202 HydrophobicContact CZ-CD1 4.5Å; W198-L202 WeakPolarHBondContact O-CB 3.09Å; W198-L202 VanDerWaalsContact O-CG 3.28Å; W198-L202 WeakPolarHBondContact O-CG 3.19Å; W198-L202 PolarHBondContact O-N 3.22Å; I199-L202 PolarHBondContact O-N 3.16Å; L202-S204 VanDerWaalsContact C-N 3.28Å; L202-S204 PolarHBondContact O-N 3.13Å; L202-V205 PolarHBondContact O-N 2.91Å; L202-I208 HydrophobicContact CB-CG2 4.38Å; L202-I208 HydrophobicContact CD2-CD1 3.74Å; L202-L210 HydrophobicContact CB-CD2 4.27Å
203E93.3Very high93.6Very high35 Ų3541 Ų4116%0.16422%0.221CC..Hα-helixtrans-65-31.9175.4-175.8-79.4150.100112.1I199 V205 E242 F243I199-E203 WeakPolarHBondContact O-CB 3.38Å; I199-E203 PolarHBondContact O-N 3.28Å; E203-V205 PolarHBondContact O-N 2.95Å; E203-E242 WeakPolarHBondContact OE1-CB 3.48Å; E203-F243 HydrophobicContact CG-CE1 4.26Å; E203-F243 HydrophobicContact CG-CZ 4.46Å
204S91.3Very high93.6Very high73 Ų7337.1 Ų37.151%0.5120%0.203SC..THydrogen-bonded Turntrans-74.9-7.5177.6-63.50000114.4H200 V201 L202 P206H200-S204 PolarHBondContact O-N 3.18Å; H200-S204 PolarHBondContact O-OG 3.41Å; V201-S204 PolarHBondContact O-N 3.34Å; L202-S204 VanDerWaalsContact C-N 3.28Å; L202-S204 PolarHBondContact O-N 3.13Å; S204-P206 WeakPolarHBondContact O-CD 3.18Å
205V91.9Very high93.6Very high15 Ų1537.1 Ų37.19%0.09121%0.205CC..  trans-92.4116.1179.6179.50000110T166 V201 L202 E203 D207 I208T166-V205 HydrophobicContact CG2-CG2 3.79Å; V201-V205 WeakPolarHBondContact O-CG2 3.38Å; L202-V205 PolarHBondContact O-N 2.91Å; E203-V205 PolarHBondContact O-N 2.95Å; V205-D207 VanDerWaalsContact C-N 3.27Å; V205-D207 PolarHBondContact O-N 3.32Å; V205-D207 VanDerWaalsContact O-N 3.15Å; V205-I208 HydrophobicContact CB-CB 4.16Å; V205-I208 HydrophobicContact CB-CD1 3.83Å; V205-I208 HydrophobicContact CB-CG1 3.96Å; V205-I208 HydrophobicContact CG1-CB 4.3Å; V205-I208 HydrophobicContact CG1-CD1 3.79Å; V205-I208 HydrophobicContact CG1-CG1 3.7Å; V205-I208 HydrophobicContact CG2-CD1 4.21Å; V205-I208 PolarHBondContact O-N 3.2Å
206P86Confident93.5Very high112 Ų11240 Ų4073%0.72722%0.218SC*.THydrogen-bonded Turntrans-59.8-30.1-173.5-26.434.8000115.9S204 I208S204-P206 WeakPolarHBondContact O-CD 3.18Å; P206-I208 VanDerWaalsContact C-N 3.3Å
207D86.1Confident93.5Very high126 Ų12639.9 Ų39.967%0.67422%0.217SC*.THydrogen-bonded Turntrans-85.2-3.1-177.9-62.7-30.9000112.8V205V205-D207 VanDerWaalsContact C-N 3.27Å; V205-D207 PolarHBondContact O-N 3.32Å; V205-D207 VanDerWaalsContact O-N 3.15Å
208I90.8Very high93.5Very high18 Ų1838 Ų389%0.09220%0.204CC..  trans-107.1109-179.2-62.1-177.1000109.2V165 F171 L173 L202 V205 P206 L210V165-I208 HydrophobicContact CG1-CD1 4.25Å; F171-I208 HydrophobicContact CB-CD1 4.48Å; F171-I208 HydrophobicContact CD1-CD1 3.82Å; F171-I208 HydrophobicContact CG-CD1 4.41Å; L173-I208 HydrophobicContact CD1-CG2 4.16Å; L173-I208 HydrophobicContact CD2-CG2 3.82Å; L173-I208 HydrophobicContact CG-CG2 4.42Å; L202-I208 HydrophobicContact CB-CG2 4.38Å; L202-I208 HydrophobicContact CD2-CD1 3.74Å; V205-I208 HydrophobicContact CB-CB 4.16Å; V205-I208 HydrophobicContact CB-CD1 3.83Å; V205-I208 HydrophobicContact CB-CG1 3.96Å; V205-I208 HydrophobicContact CG1-CB 4.3Å; V205-I208 HydrophobicContact CG1-CD1 3.79Å; V205-I208 HydrophobicContact CG1-CG1 3.7Å; V205-I208 HydrophobicContact CG2-CD1 4.21Å; V205-I208 PolarHBondContact O-N 3.2Å; P206-I208 VanDerWaalsContact C-N 3.3Å; I208-L210 PolarHBondContact O-N 3.41Å
209H89.6Confident93.5Very high111 Ų11139.5 Ų39.551%0.51421%0.212SC..  trans-90.376.4-179.6-60.7-51.7000112.1L211H209-L211 VanDerWaalsContact C-N 3.25Å; H209-L211 PolarHBondContact O-N 3.4Å
210L93.5Very high93.4Very high2 Ų239.5 Ų39.51%0.0121%0.212CC..G310 helixtrans-70.9-21.9179.6-168.257.4000113L173 I199 L202 I208 D212 Y213 L214 I217 F243L173-L210 HydrophobicContact CD1-CD1 4.08Å; I199-L210 HydrophobicContact CG2-CD2 3.91Å; L202-L210 HydrophobicContact CB-CD2 4.27Å; I208-L210 PolarHBondContact O-N 3.41Å; L210-D212 PolarHBondContact O-N 3.19Å; L210-Y213 PolarHBondContact O-N 2.89Å; L210-Y213 VanDerWaalsContact O-N 3.12Å; L210-L214 PolarHBondContact O-N 2.98Å; L210-I217 HydrophobicContact CD1-CD1 4.34Å; L210-I217 HydrophobicContact CD2-CD1 4.46Å; L210-I217 HydrophobicContact CG-CD1 4.28Å; L210-F243 HydrophobicContact CB-CE1 4.21Å; L210-F243 HydrophobicContact CB-CZ 4.39Å; L210-F243 HydrophobicContact CD2-CE1 4.38Å; L210-F243 HydrophobicContact CD2-CZ 3.74Å; L210-F243 HydrophobicContact CG-CE1 4.16Å; L210-F243 HydrophobicContact CG-CZ 3.89Å
211L92.8Very high93.5Very high10 Ų1036.3 Ų36.35%0.05220%0.197CC..G310 helixtrans-56.6-34.9178.4-177.660.1000113.3H209 Y213 L214 F243 E246 I247 V254H209-L211 VanDerWaalsContact C-N 3.25Å; H209-L211 PolarHBondContact O-N 3.4Å; L211-Y213 PolarHBondContact O-N 3.35Å; L211-L214 HydrophobicContact CD1-CB 4.35Å; L211-L214 HydrophobicContact CD1-CD2 3.78Å; L211-L214 VanDerWaalsContact O-CB 3.23Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.44Å; L211-L214 VanDerWaalsContact O-N 3.11Å; L211-F243 HydrophobicContact CD1-CD1 4.47Å; L211-E246 HydrophobicContact CD2-CG 4.01Å; L211-I247 HydrophobicContact CD1-CD1 4.18Å; L211-I247 HydrophobicContact CD1-CG1 3.63Å; L211-V254 HydrophobicContact CD2-CG2 4.14Å
212D92.9Very high93.5Very high72 Ų7235 Ų3539%0.38519%0.19SC..G310 helixtrans-63.8-23.4-179.5-69.6-29.5000113.4L210 K255L210-D212 PolarHBondContact O-N 3.19Å; D212-K255 PolarHBondContact O-NZ 2.83Å
213Y94.9Very high93.4Very high54 Ų5438.5 Ų38.521%0.21221%0.206CC..G310 helixtrans-105.2-0.8-179.9-58.7-79.6000113L173 V174 V177 L210 L211 P215 E216L173-Y213 HydrophobicContact CD2-CD2 3.85Å; L173-Y213 HydrophobicContact CD2-CE2 3.65Å; L173-Y213 HydrophobicContact CG-CD2 4.32Å; L173-Y213 HydrophobicContact CG-CE2 4.02Å; V174-Y213 WeakPolarHBondContact CG2-OH 3.33Å; V177-Y213 HydrophobicContact CB-CD1 4.09Å; V177-Y213 HydrophobicContact CB-CE1 4.37Å; V177-Y213 HydrophobicContact CB-CG 4.38Å; V177-Y213 HydrophobicContact CG1-CD1 3.65Å; V177-Y213 HydrophobicContact CG1-CE1 4.31Å; V177-Y213 HydrophobicContact CG1-CG 4.02Å; V177-Y213 HydrophobicContact CG2-CD1 3.76Å; V177-Y213 HydrophobicContact CG2-CD2 3.83Å; V177-Y213 HydrophobicContact CG2-CE1 4.07Å; V177-Y213 HydrophobicContact CG2-CE2 4.17Å; V177-Y213 HydrophobicContact CG2-CG 3.6Å; L210-Y213 PolarHBondContact O-N 2.89Å; L210-Y213 VanDerWaalsContact O-N 3.12Å; L211-Y213 PolarHBondContact O-N 3.35Å; Y213-P215 VanDerWaalsContact C-N 3.3Å; Y213-E216 WeakPolarHBondContact O-CB 3.32Å; Y213-E216 PolarHBondContact O-N 3.19Å
214L95.8Very high93.5Very high0 Ų036.8 Ų36.80%020%0.198CC..Hα-helixtrans-51.7-40.4178.8-175.460.6000113.4L210 L211 E216 I217 L218 L221 F243 I247 M259 W287L210-L214 PolarHBondContact O-N 2.98Å; L211-L214 HydrophobicContact CD1-CB 4.35Å; L211-L214 HydrophobicContact CD1-CD2 3.78Å; L211-L214 VanDerWaalsContact O-CB 3.23Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.44Å; L211-L214 VanDerWaalsContact O-N 3.11Å; L214-E216 PolarHBondContact O-N 2.88Å; L214-E216 VanDerWaalsContact O-N 3.09Å; L214-I217 HydrophobicContact CD1-CD1 4.48Å; L214-I217 HydrophobicContact CD1-CG1 4.18Å; L214-I217 PolarHBondContact O-N 3.45Å; L214-I217 VanDerWaalsContact O-N 3.1Å; L214-L218 HydrophobicContact CD1-CB 4.23Å; L214-L218 HydrophobicContact CD1-CD1 4.11Å; L214-L218 HydrophobicContact CG-CB 4.39Å; L214-L218 HydrophobicContact CG-CD1 4.5Å; L214-L218 VanDerWaalsContact O-CB 3.24Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.27Å; L214-L221 HydrophobicContact CD1-CD1 4.18Å; L214-F243 HydrophobicContact CD1-CD1 4.25Å; L214-F243 HydrophobicContact CD1-CD2 4.04Å; L214-F243 HydrophobicContact CD1-CE1 4.31Å; L214-F243 HydrophobicContact CD1-CE2 4.1Å; L214-F243 HydrophobicContact CD1-CG 4.11Å; L214-F243 HydrophobicContact CD1-CZ 4.22Å; L214-F243 HydrophobicContact CD2-CB 4.28Å; L214-F243 HydrophobicContact CD2-CD1 4.25Å; L214-F243 HydrophobicContact CD2-CG 4.29Å; L214-I247 HydrophobicContact CD2-CD1 3.86Å; L214-M259 HydrophobicContact CB-SD 4.27Å; L214-M259 HydrophobicContact CD2-SD 3.79Å; L214-M259 HydrophobicContact CG-SD 3.77Å; L214-W287 HydrophobicContact CD2-CH2 3.98Å; L214-W287 HydrophobicContact CD2-CZ3 4Å
215P95.3Very high93.7Very high14 Ų1433.3 Ų33.39%0.09117%0.174CC..Hα-helixtrans-55.9-29.2177.5-24.833.7000114.3Y213 K255 E258 M259 I262Y213-P215 VanDerWaalsContact C-N 3.3Å; P215-K255 HydrophobicContact CG-CB 4.08Å; P215-K255 HydrophobicContact CG-CD 4.16Å; P215-E258 HydrophobicContact CB-CB 3.83Å; P215-E258 HydrophobicContact CG-CB 4.17Å; P215-M259 HydrophobicContact CB-CG 3.94Å; P215-M259 HydrophobicContact CG-CG 3.92Å; P215-M259 HydrophobicContact CG-SD 4.29Å; P215-I262 VanDerWaalsContact O-CD1 3.3Å; P215-I262 WeakPolarHBondContact O-CD1 3.47Å
216E95Very high93.6Very high62 Ų6232.8 Ų32.829%0.2917%0.171SC..Hα-helixtrans-83.4-23.3-177.9-54.2179.8-178.100113.5V177 R181 Y213 L214V177-E216 WeakPolarHBondContact CG1-OE2 3.31Å; R181-E216 HydrophobicContact CG-CB 4.33Å; R181-E216 VanDerWaalsContact CZ-CD 3.48Å; R181-E216 IonicContact CZ-OE1 3.85Å; R181-E216 IonicContact CZ-OE2 2.86Å; R181-E216 IonicContact NE-OE2 2.67Å; R181-E216 PolarHBondContact NE-OE2 2.89Å; R181-E216 IonicContact NH2-OE1 3Å; R181-E216 PolarHBondContact NH2-OE1 3.37Å; R181-E216 VanDerWaalsContact NH2-OE1 3.11Å; R181-E216 IonicContact NH2-OE2 3.99Å; R181-E216 PolarHBondContact NH2-OE2 3.24Å; Y213-E216 WeakPolarHBondContact O-CB 3.32Å; Y213-E216 PolarHBondContact O-N 3.19Å; L214-E216 PolarHBondContact O-N 2.88Å; L214-E216 VanDerWaalsContact O-N 3.09Å
217I96.6Very high94Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-112.9-15.8-174.163170.6000113.2L180 I184 L210 L214 D219 G220 L221 F243L180-I217 HydrophobicContact CD2-CG2 4.28Å; L180-I217 HydrophobicContact CG-CG2 4.37Å; I184-I217 HydrophobicContact CD1-CB 3.91Å; I184-I217 WeakPolarHBondContact CD1-O 3.28Å; L210-I217 HydrophobicContact CD1-CD1 4.34Å; L210-I217 HydrophobicContact CD2-CD1 4.46Å; L210-I217 HydrophobicContact CG-CD1 4.28Å; L214-I217 HydrophobicContact CD1-CD1 4.48Å; L214-I217 HydrophobicContact CD1-CG1 4.18Å; L214-I217 PolarHBondContact O-N 3.45Å; L214-I217 VanDerWaalsContact O-N 3.1Å; I217-D219 VanDerWaalsContact C-N 3.33Å; I217-D219 PolarHBondContact O-N 3.18Å; I217-G220 PolarHBondContact O-N 3.26Å; I217-G220 VanDerWaalsContact O-N 3.12Å; I217-L221 HydrophobicContact CD1-CD1 4.5Å; I217-L221 PolarHBondContact O-N 3.01Å; I217-F243 HydrophobicContact CD1-CZ 4.37Å
218L97.3Very high94.2Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-57.3-44-174.1-177.963.5000112.4L214 G220 L221 F222 L240 M259 I262 L263 W287L214-L218 HydrophobicContact CD1-CB 4.23Å; L214-L218 HydrophobicContact CD1-CD1 4.11Å; L214-L218 HydrophobicContact CG-CB 4.39Å; L214-L218 HydrophobicContact CG-CD1 4.5Å; L214-L218 VanDerWaalsContact O-CB 3.24Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.27Å; L218-G220 PolarHBondContact O-N 2.96Å; L218-L221 WeakPolarHBondContact O-CB 3.37Å; L218-L221 PolarHBondContact O-N 3.2Å; L218-F222 HydrophobicContact CD1-CD2 4.01Å; L218-F222 HydrophobicContact CD1-CE2 3.6Å; L218-F222 HydrophobicContact CD2-CE2 4.35Å; L218-F222 HydrophobicContact CG-CD2 4.01Å; L218-F222 HydrophobicContact CG-CE2 3.83Å; L218-F222 WeakPolarHBondContact O-CD2 3.29Å; L218-F222 PolarHBondContact O-N 3.07Å; L218-F222 VanDerWaalsContact O-N 3.09Å; L218-L240 HydrophobicContact CD1-CD2 4.05Å; L218-M259 HydrophobicContact CD2-CB 3.95Å; L218-M259 HydrophobicContact CD2-CG 3.81Å; L218-M259 HydrophobicContact CD2-SD 3.78Å; L218-I262 HydrophobicContact CB-CD1 4.46Å; L218-I262 HydrophobicContact CB-CG2 4.44Å; L218-I262 HydrophobicContact CD2-CB 4.48Å; L218-I262 HydrophobicContact CD2-CG2 4.16Å; L218-I262 HydrophobicContact CG-CG2 4.13Å; L218-L263 HydrophobicContact CD2-CD2 4.23Å; L218-L263 HydrophobicContact CD2-CG 4.42Å; L218-W287 HydrophobicContact CD1-CE3 4.39Å; L218-W287 HydrophobicContact CD1-CH2 3.9Å; L218-W287 HydrophobicContact CD1-CZ3 3.82Å; L218-W287 HydrophobicContact CD2-CZ3 4.41Å
219D96.3Very high94.3Very high32 Ų3229.3 Ų29.317%0.17115%0.149CC..Hα-helixtrans-59.5-47.1177.5177.765.4000111.4Y185 I217 L221 F222 Q223 I262 H266Y185-D219 WeakPolarHBondContact CE1-OD2 3.45Å; Y185-D219 PolarHBondContact OH-OD2 2.94Å; I217-D219 VanDerWaalsContact C-N 3.33Å; I217-D219 PolarHBondContact O-N 3.18Å; D219-L221 VanDerWaalsContact C-N 3.32Å; D219-L221 PolarHBondContact O-N 2.91Å; D219-F222 PolarHBondContact O-N 3.33Å; D219-Q223 WeakPolarHBondContact O-CG 3.32Å; D219-Q223 PolarHBondContact O-N 3.12Å; D219-Q223 PolarHBondContact OD2-NE2 3.47Å; D219-Q223 VanDerWaalsContact OD2-NE2 3.16Å; D219-I262 HydrophobicContact CB-CG2 3.83Å; D219-H266 IonicContact OD1-CD2 3.39Å; D219-H266 IonicContact OD1-CE1 3.99Å; D219-H266 IonicContact OD1-NE2 3.31Å; D219-H266 PolarHBondContact OD1-NE2 2.97Å
220G95.9Very high94.4Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-60.1-38.3175.700000113.3I217 L218 Q223 I224I217-G220 PolarHBondContact O-N 3.26Å; I217-G220 VanDerWaalsContact O-N 3.12Å; L218-G220 PolarHBondContact O-N 2.96Å; G220-Q223 WeakPolarHBondContact O-CB 3.38Å; G220-Q223 PolarHBondContact O-N 2.92Å; G220-I224 WeakPolarHBondContact O-CG1 3.31Å; G220-I224 PolarHBondContact O-N 2.91Å
221L97.3Very high94.4Very high0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-62.1-44.2174.4-69.5175000111.8I184 I196 I199 L214 I217 L218 D219 Q223 I224 L225 C236 V239 L240 F243I184-L221 HydrophobicContact CD1-CD2 4.12Å; I184-L221 HydrophobicContact CD1-CG 4.03Å; I196-L221 HydrophobicContact CD1-CD2 3.57Å; I199-L221 HydrophobicContact CD1-CD2 3.72Å; L214-L221 HydrophobicContact CD1-CD1 4.18Å; I217-L221 HydrophobicContact CD1-CD1 4.5Å; I217-L221 PolarHBondContact O-N 3.01Å; L218-L221 WeakPolarHBondContact O-CB 3.37Å; L218-L221 PolarHBondContact O-N 3.2Å; D219-L221 VanDerWaalsContact C-N 3.32Å; D219-L221 PolarHBondContact O-N 2.91Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 3.43Å; L221-I224 PolarHBondContact O-N 3.22Å; L221-I224 VanDerWaalsContact O-N 3.17Å; L221-L225 PolarHBondContact O-N 3.15Å; L221-C236 PolarHBondContact O-SG 3.28Å; L221-V239 HydrophobicContact CD2-CG1 4.48Å; L221-L240 HydrophobicContact CB-CD2 3.97Å; L221-L240 HydrophobicContact CD1-CD2 3.96Å; L221-F243 HydrophobicContact CD1-CD2 4.25Å; L221-F243 HydrophobicContact CD1-CE2 3.92Å
222F95.8Very high94.5Very high0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-64.2-32.4174.5-81.7-72.3000112.6L218 D219 L225 G226 L263 H266 I280 T283 A284L218-F222 HydrophobicContact CD1-CD2 4.01Å; L218-F222 HydrophobicContact CD1-CE2 3.6Å; L218-F222 HydrophobicContact CD2-CE2 4.35Å; L218-F222 HydrophobicContact CG-CD2 4.01Å; L218-F222 HydrophobicContact CG-CE2 3.83Å; L218-F222 WeakPolarHBondContact O-CD2 3.29Å; L218-F222 PolarHBondContact O-N 3.07Å; L218-F222 VanDerWaalsContact O-N 3.09Å; D219-F222 PolarHBondContact O-N 3.33Å; F222-L225 HydrophobicContact CD1-CD2 4.07Å; F222-L225 HydrophobicContact CE1-CD2 4.38Å; F222-L225 WeakPolarHBondContact O-CB 3.45Å; F222-L225 PolarHBondContact O-N 3.02Å; F222-G226 PolarHBondContact O-N 3.27Å; F222-L263 HydrophobicContact CE2-CD2 3.61Å; F222-L263 HydrophobicContact CZ-CD2 3.75Å; F222-H266 VanDerWaalsContact CB-CE1 3.47Å; F222-H266 WeakPolarHBondContact CB-CE1 3.5Å; F222-H266 HydrophobicContact CD1-CB 4.26Å; F222-H266 AromaticContact CD2-CD2 3.78Å; F222-H266 HydrophobicContact CG-CB 4.21Å; F222-H266 AromaticContact CG-CD2 3.79Å; F222-H266 AromaticContact CG-CG 3.76Å; F222-I280 HydrophobicContact CD1-CG2 4.08Å; F222-T283 HydrophobicContact CE1-CG2 3.89Å; F222-T283 HydrophobicContact CZ-CG2 4.43Å; F222-A284 HydrophobicContact CE1-CB 3.76Å; F222-A284 HydrophobicContact CZ-CB 3.97Å
223Q93.8Very high94.6Very high72 Ų7236 Ų3634%0.33617%0.174SC..Hα-helixtrans-68.6-35.4172.5-65.4-169.619.700113.2Y185 R192 D219 G220 L221 G226Y185-Q223 VanDerWaalsContact CE1-NE2 3.33Å; R192-Q223 PolarHBondContact NH1-O 3.02Å; D219-Q223 WeakPolarHBondContact O-CG 3.32Å; D219-Q223 PolarHBondContact O-N 3.12Å; D219-Q223 PolarHBondContact OD2-NE2 3.47Å; D219-Q223 VanDerWaalsContact OD2-NE2 3.16Å; G220-Q223 WeakPolarHBondContact O-CB 3.38Å; G220-Q223 PolarHBondContact O-N 2.92Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 3.43Å; Q223-G226 PolarHBondContact O-N 3.36Å
224I95.1Very high94.6Very high0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-69.9-36.8172.8-67.3173.5000110.8I184 R192 I195 G220 L221 G226 D227 I232 C236I184-I224 HydrophobicContact CG1-CD1 3.71Å; R192-I224 HydrophobicContact CB-CG1 4.32Å; R192-I224 HydrophobicContact CB-CG2 4.46Å; R192-I224 HydrophobicContact CG-CG1 4.09Å; I195-I224 HydrophobicContact CG2-CD1 4.47Å; G220-I224 WeakPolarHBondContact O-CG1 3.31Å; G220-I224 PolarHBondContact O-N 2.91Å; L221-I224 PolarHBondContact O-N 3.22Å; L221-I224 VanDerWaalsContact O-N 3.17Å; I224-G226 PolarHBondContact O-N 3.02Å; I224-G226 VanDerWaalsContact O-N 3.14Å; I224-D227 WeakPolarHBondContact O-CB 3.34Å; I224-D227 PolarHBondContact O-N 3.21Å; I224-I232 HydrophobicContact CG2-CG2 3.63Å; I224-C236 HydrophobicContact CG2-CB 4.14Å
225L94.6Very high94.6Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-58.7-26.3173.3-175.664.8000112.2L221 F222 D227 R233 C236 E237 L240 L279 I280 T283L221-L225 PolarHBondContact O-N 3.15Å; F222-L225 HydrophobicContact CD1-CD2 4.07Å; F222-L225 HydrophobicContact CE1-CD2 4.38Å; F222-L225 WeakPolarHBondContact O-CB 3.45Å; F222-L225 PolarHBondContact O-N 3.02Å; L225-D227 VanDerWaalsContact C-N 3.29Å; L225-D227 PolarHBondContact O-N 2.91Å; L225-R233 WeakPolarHBondContact O-CD 3.49Å; L225-R233 WeakPolarHBondContact O-CG 2.85Å; L225-C236 HydrophobicContact CD1-CB 4.46Å; L225-E237 HydrophobicContact CD1-CG 3.44Å; L225-E237 VanDerWaalsContact CD1-CG 3.44Å; L225-L240 HydrophobicContact CD2-CD1 4.04Å; L225-L279 HydrophobicContact CD1-CD2 3.86Å; L225-L279 HydrophobicContact CD1-CG 4.21Å; L225-L279 HydrophobicContact CD2-CG 4.49Å; L225-L279 HydrophobicContact CG-CD2 4.31Å; L225-L279 HydrophobicContact CG-CG 4.35Å; L225-I280 HydrophobicContact CB-CG1 4.44Å; L225-I280 HydrophobicContact CD2-CG1 4.23Å; L225-I280 HydrophobicContact CG-CG1 4.22Å; L225-T283 HydrophobicContact CD2-CG2 4.05Å
226G91.2Very high94.7Very high4 Ų443.7 Ų43.74%0.04121%0.206CC..THydrogen-bonded Turntrans-80.25.3173.500000116.4F222 Q223 I224 K274 T276F222-G226 PolarHBondContact O-N 3.27Å; Q223-G226 PolarHBondContact O-N 3.36Å; I224-G226 PolarHBondContact O-N 3.02Å; I224-G226 VanDerWaalsContact O-N 3.14Å; G226-K274 PolarHBondContact O-NZ 3.18Å; G226-T276 PolarHBondContact O-OG1 2.94Å
227D93Very high94.7Very high13 Ų1344.6 Ų44.67%0.0721%0.21CC..  trans-64.3154.5-178.2-161.1-80.6000112.7R192 I224 L225 S229 I232 R233R192-D227 WeakPolarHBondContact CD-OD2 3.39Å; R192-D227 IonicContact CZ-OD2 2.72Å; R192-D227 IonicContact NE-OD2 2.77Å; R192-D227 IonicContact NH1-OD2 2.65Å; R192-D227 PolarHBondContact NH1-OD2 3.19Å; I224-D227 WeakPolarHBondContact O-CB 3.34Å; I224-D227 PolarHBondContact O-N 3.21Å; L225-D227 VanDerWaalsContact C-N 3.29Å; L225-D227 PolarHBondContact O-N 2.91Å; D227-S229 WeakPolarHBondContact OD1-CB 3.18Å; D227-S229 PolarHBondContact OD1-N 3.14Å; D227-I232 HydrophobicContact CB-CB 4.38Å; D227-I232 HydrophobicContact CB-CG2 3.99Å; D227-R233 HydrophobicContact CB-CG 4.48Å; D227-R233 VanDerWaalsContact O-CD 3.23Å; D227-R233 WeakPolarHBondContact O-CD 3.49Å; D227-R233 WeakPolarHBondContact O-CG 3.37Å; D227-R233 PolarHBondContact O-NH1 3.36Å
228N90.1Very high94.7Very high138 Ų13847.8 Ų47.874%0.73823%0.229SC*.SBendtrans-74.8-27.4178.8-67.1-33.3000112.5K230 R233N228-K230 PolarHBondContact O-N 3.23Å; N228-R233 PolarHBondContact O-NH1 3.48Å
229S92.9Very high94.8Very high31 Ų3147.8 Ų47.822%0.21723%0.229CC..  trans-73.4121.6177.7178.90000111.8D227 E231 I232 R233D227-S229 WeakPolarHBondContact OD1-CB 3.18Å; D227-S229 PolarHBondContact OD1-N 3.14Å; S229-E231 VanDerWaalsContact C-N 3.26Å; S229-E231 PolarHBondContact O-N 3.21Å; S229-I232 PolarHBondContact O-N 3.23Å; S229-R233 WeakPolarHBondContact O-CG 3.45Å; S229-R233 PolarHBondContact O-N 2.89Å; S229-R233 VanDerWaalsContact O-N 3.13Å; S229-R233 PolarHBondContact O-NH1 3.43Å
230K92.3Very high94.8Very high165 Ų16546.3 Ų46.372%0.71722%0.221SC*.Hα-helixtrans-59.7-36.4176.7-76.8176.7179.9-176.10112.7N228 R234N228-K230 PolarHBondContact O-N 3.23Å; K230-R234 WeakPolarHBondContact O-CB 3.24Å; K230-R234 PolarHBondContact O-N 2.8Å
231E93.9Very high94.9Very high128 Ų12848 Ų4860%0.59824%0.239SC*.Hα-helixtrans-69.5-46.1-178.6-174.8175.5-179.300111.2S229 R233 R234 T235S229-E231 VanDerWaalsContact C-N 3.26Å; S229-E231 PolarHBondContact O-N 3.21Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.42Å; E231-R234 PolarHBondContact O-N 3.49Å; E231-T235 PolarHBondContact O-N 2.97Å; E231-T235 PolarHBondContact O-OG1 2.88Å
232I94.9Very high94.8Very high3 Ų351 Ų512%0.01525%0.252CS..Hα-helixtrans-59.3-45.1176.5-63.2178.4000110.3Q189 Q193 I224 D227 S229 R234 T235 C236Q189-I232 HydrophobicContact CB-CD1 4.16Å; Q189-I232 WeakPolarHBondContact O-CD1 3.18Å; Q193-I232 HydrophobicContact CB-CD1 3.95Å; Q193-I232 HydrophobicContact CB-CG1 4.04Å; Q193-I232 HydrophobicContact CG-CG1 4.43Å; I224-I232 HydrophobicContact CG2-CG2 3.63Å; D227-I232 HydrophobicContact CB-CB 4.38Å; D227-I232 HydrophobicContact CB-CG2 3.99Å; S229-I232 PolarHBondContact O-N 3.23Å; I232-R234 PolarHBondContact O-N 2.98Å; I232-T235 PolarHBondContact O-N 3.49Å; I232-C236 WeakPolarHBondContact O-CB 3.45Å; I232-C236 PolarHBondContact O-N 2.85Å
233R94.5Very high94.8Very high39 Ų3951 Ų5115%0.14725%0.252CS..Hα-helixtrans-58.6-49.3176-68.3-160.4-59-81.25.4111.8L225 D227 N228 S229 E231 T235 C236 E237L225-R233 WeakPolarHBondContact O-CD 3.49Å; L225-R233 WeakPolarHBondContact O-CG 2.85Å; D227-R233 HydrophobicContact CB-CG 4.48Å; D227-R233 VanDerWaalsContact O-CD 3.23Å; D227-R233 WeakPolarHBondContact O-CD 3.49Å; D227-R233 WeakPolarHBondContact O-CG 3.37Å; D227-R233 PolarHBondContact O-NH1 3.36Å; N228-R233 PolarHBondContact O-NH1 3.48Å; S229-R233 WeakPolarHBondContact O-CG 3.45Å; S229-R233 PolarHBondContact O-N 2.89Å; S229-R233 VanDerWaalsContact O-N 3.13Å; S229-R233 PolarHBondContact O-NH1 3.43Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.42Å; R233-T235 VanDerWaalsContact C-N 3.34Å; R233-T235 PolarHBondContact O-N 3.3Å; R233-C236 CarbonylContact O-C 3.34Å; R233-C236 WeakPolarHBondContact O-CB 3.33Å; R233-C236 PolarHBondContact O-N 3.34Å; R233-C236 VanDerWaalsContact O-N 3.1Å; R233-E237 WeakPolarHBondContact O-CG 3.49Å; R233-E237 PolarHBondContact O-N 3.44Å
234R95.3Very high94.9Very high185 Ų18548.4 Ų48.470%0.69824%0.241SC*.Hα-helixtrans-59.7-43.6-179.9-173.2178.8-176.9165.71.8112.1K230 E231 I232 C236 E237 V238K230-R234 WeakPolarHBondContact O-CB 3.24Å; K230-R234 PolarHBondContact O-N 2.8Å; E231-R234 PolarHBondContact O-N 3.49Å; I232-R234 PolarHBondContact O-N 2.98Å; R234-C236 VanDerWaalsContact C-N 3.34Å; R234-E237 PolarHBondContact O-N 3.35Å; R234-V238 WeakPolarHBondContact O-CG2 3.32Å; R234-V238 PolarHBondContact O-N 2.99Å; R234-V238 VanDerWaalsContact O-N 3.11Å
235T95.6Very high94.9Very high46 Ų4654.5 Ų54.528%0.28227%0.267SS..Hα-helixtrans-64.9-40.5176.3-57.10000111.1I196 E231 I232 R233 V238 V239I196-T235 HydrophobicContact CG1-CG2 4.14Å; I196-T235 HydrophobicContact CG2-CG2 4.17Å; E231-T235 PolarHBondContact O-N 2.97Å; E231-T235 PolarHBondContact O-OG1 2.88Å; I232-T235 PolarHBondContact O-N 3.49Å; R233-T235 VanDerWaalsContact C-N 3.34Å; R233-T235 PolarHBondContact O-N 3.3Å; T235-V238 PolarHBondContact O-N 3.21Å; T235-V239 WeakPolarHBondContact O-CG2 3.4Å; T235-V239 PolarHBondContact O-N 2.93Å
236C97.3Very high94.8Very high0 Ų056.9 Ų56.90%028%0.279CS..Hα-helixtrans-64.5-38.8175.7-166.10000112.7I196 L221 I224 L225 I232 R233 R234 V238 V239 L240I196-C236 HydrophobicContact CD1-CB 4.16Å; I196-C236 HydrophobicContact CG1-CB 4.17Å; L221-C236 PolarHBondContact O-SG 3.28Å; I224-C236 HydrophobicContact CG2-CB 4.14Å; L225-C236 HydrophobicContact CD1-CB 4.46Å; I232-C236 WeakPolarHBondContact O-CB 3.45Å; I232-C236 PolarHBondContact O-N 2.85Å; R233-C236 CarbonylContact O-C 3.34Å; R233-C236 WeakPolarHBondContact O-CB 3.33Å; R233-C236 PolarHBondContact O-N 3.34Å; R233-C236 VanDerWaalsContact O-N 3.1Å; R234-C236 VanDerWaalsContact C-N 3.34Å; C236-V238 VanDerWaalsContact C-N 3.33Å; C236-V238 PolarHBondContact O-N 3.32Å; C236-V239 PolarHBondContact O-N 2.67Å; C236-L240 WeakPolarHBondContact O-CB 3.41Å; C236-L240 WeakPolarHBondContact O-CG 3.47Å; C236-L240 PolarHBondContact O-N 2.76Å
237E96Very high95Very high80 Ų8056.7 Ų56.737%0.37428%0.277SS..Hα-helixtrans-61-41.2173.7-71.9173.9-89.200111.6L225 R233 R234 G241 L279L225-E237 HydrophobicContact CD1-CG 3.44Å; L225-E237 VanDerWaalsContact CD1-CG 3.44Å; R233-E237 WeakPolarHBondContact O-CG 3.49Å; R233-E237 PolarHBondContact O-N 3.44Å; R234-E237 PolarHBondContact O-N 3.35Å; E237-G241 PolarHBondContact O-N 2.91Å; E237-L279 HydrophobicContact CG-CD2 4.47Å; E237-L279 WeakPolarHBondContact OE2-CD1 3.22Å
238V96.7Very high95.1Very high67 Ų6760.5 Ų60.541%0.40629%0.293SS..Hα-helixtrans-63.1-48.3176171.80000110.7R234 T235 C236 L240 G241 E242R234-V238 WeakPolarHBondContact O-CG2 3.32Å; R234-V238 PolarHBondContact O-N 2.99Å; R234-V238 VanDerWaalsContact O-N 3.11Å; T235-V238 PolarHBondContact O-N 3.21Å; C236-V238 VanDerWaalsContact C-N 3.33Å; C236-V238 PolarHBondContact O-N 3.32Å; V238-L240 PolarHBondContact O-N 2.95Å; V238-G241 WeakPolarHBondContact O-CA 3.08Å; V238-G241 PolarHBondContact O-N 3.23Å; V238-E242 PolarHBondContact O-N 2.93Å
239V97.6Very high95.2Very high0 Ų062.4 Ų62.40%029%0.294CS..Hα-helixtrans-59.8-47.3178.5169.40000111.6I196 I199 H200 L221 T235 C236 G241 E242 F243I196-V239 HydrophobicContact CD1-CB 3.95Å; I196-V239 HydrophobicContact CD1-CG1 3.99Å; I196-V239 HydrophobicContact CD1-CG2 3.87Å; I196-V239 HydrophobicContact CG1-CG2 4.14Å; I199-V239 HydrophobicContact CG2-CG1 3.59Å; H200-V239 HydrophobicContact CB-CG2 3.62Å; L221-V239 HydrophobicContact CD2-CG1 4.48Å; T235-V239 WeakPolarHBondContact O-CG2 3.4Å; T235-V239 PolarHBondContact O-N 2.93Å; C236-V239 PolarHBondContact O-N 2.67Å; V239-G241 VanDerWaalsContact C-N 3.26Å; V239-G241 PolarHBondContact O-N 3.42Å; V239-E242 PolarHBondContact O-N 3.45Å; V239-F243 HydrophobicContact CG1-CD2 3.9Å; V239-F243 HydrophobicContact CG1-CE2 3.64Å; V239-F243 VanDerWaalsContact O-CD2 3.3Å; V239-F243 WeakPolarHBondContact O-CD2 3.49Å; V239-F243 PolarHBondContact O-N 3.44Å; V239-F243 VanDerWaalsContact O-N 3.1Å
240L97.8Very high95.1Very high2 Ų263.4 Ų63.41%0.0130%0.299CS..Hα-helixtrans-62-36.5174.4-72.2169.3000111.4L218 L221 L225 C236 V238 L244 T283 W287L218-L240 HydrophobicContact CD1-CD2 4.05Å; L221-L240 HydrophobicContact CB-CD2 3.97Å; L221-L240 HydrophobicContact CD1-CD2 3.96Å; L225-L240 HydrophobicContact CD2-CD1 4.04Å; C236-L240 WeakPolarHBondContact O-CB 3.41Å; C236-L240 WeakPolarHBondContact O-CG 3.47Å; C236-L240 PolarHBondContact O-N 2.76Å; V238-L240 PolarHBondContact O-N 2.95Å; L240-L244 WeakPolarHBondContact O-CB 3.18Å; L240-L244 PolarHBondContact O-N 2.99Å; L240-T283 HydrophobicContact CD1-CG2 4.2Å; L240-W287 HydrophobicContact CB-CZ2 4.01Å; L240-W287 HydrophobicContact CD2-CH2 4.23Å; L240-W287 HydrophobicContact CD2-CZ2 3.7Å; L240-W287 HydrophobicContact CG-CZ2 4.49Å; L240-W287 WeakPolarHBondContact O-CZ2 3.49Å
241G96.7Very high95Very high35 Ų3557.8 Ų57.836%0.36128%0.28SS..Hα-helixtrans-61.8-43.5175.800000113.3E237 V238 V239 L244 K245E237-G241 PolarHBondContact O-N 2.91Å; V238-G241 WeakPolarHBondContact O-CA 3.08Å; V238-G241 PolarHBondContact O-N 3.23Å; V239-G241 VanDerWaalsContact C-N 3.26Å; V239-G241 PolarHBondContact O-N 3.42Å; G241-L244 PolarHBondContact O-N 3.33Å; G241-K245 WeakPolarHBondContact O-CB 3.44Å; G241-K245 PolarHBondContact O-N 3.36Å
242E95.4Very high94.6Very high62 Ų6257.5 Ų57.529%0.2929%0.292SS..Hα-helixtrans-69.2-43.2178.1-65.2-57138.200111.7E203 V238 V239 L244 K245 E246E203-E242 WeakPolarHBondContact OE1-CB 3.48Å; V238-E242 PolarHBondContact O-N 2.93Å; V239-E242 PolarHBondContact O-N 3.45Å; E242-L244 VanDerWaalsContact C-N 3.32Å; E242-L244 PolarHBondContact O-N 3.41Å; E242-K245 WeakPolarHBondContact O-CB 3.4Å; E242-K245 PolarHBondContact O-N 3.23Å; E242-K245 VanDerWaalsContact O-N 3.1Å; E242-K245 IonicContact OE1-NZ 2.69Å; E242-K245 WeakPolarHBondContact OE2-CD 3.26Å; E242-K245 IonicContact OE2-NZ 3.72Å; E242-K245 PolarHBondContact OE2-NZ 2.64Å; E242-E246 PolarHBondContact O-N 3.28Å
243F96.8Very high94.1Very high0 Ų060.2 Ų60.20%031%0.311CS..Hα-helixtrans-56.7-44.8172-80.1-58000112.4I199 E203 L210 L211 L214 I217 L221 V239 K245 E246 I247 W287I199-F243 HydrophobicContact CG2-CE2 3.96Å; I199-F243 HydrophobicContact CG2-CZ 4.19Å; E203-F243 HydrophobicContact CG-CE1 4.26Å; E203-F243 HydrophobicContact CG-CZ 4.46Å; L210-F243 HydrophobicContact CB-CE1 4.21Å; L210-F243 HydrophobicContact CB-CZ 4.39Å; L210-F243 HydrophobicContact CD2-CE1 4.38Å; L210-F243 HydrophobicContact CD2-CZ 3.74Å; L210-F243 HydrophobicContact CG-CE1 4.16Å; L210-F243 HydrophobicContact CG-CZ 3.89Å; L211-F243 HydrophobicContact CD1-CD1 4.47Å; L214-F243 HydrophobicContact CD1-CD1 4.25Å; L214-F243 HydrophobicContact CD1-CD2 4.04Å; L214-F243 HydrophobicContact CD1-CE1 4.31Å; L214-F243 HydrophobicContact CD1-CE2 4.1Å; L214-F243 HydrophobicContact CD1-CG 4.11Å; L214-F243 HydrophobicContact CD1-CZ 4.22Å; L214-F243 HydrophobicContact CD2-CB 4.28Å; L214-F243 HydrophobicContact CD2-CD1 4.25Å; L214-F243 HydrophobicContact CD2-CG 4.29Å; I217-F243 HydrophobicContact CD1-CZ 4.37Å; L221-F243 HydrophobicContact CD1-CD2 4.25Å; L221-F243 HydrophobicContact CD1-CE2 3.92Å; V239-F243 HydrophobicContact CG1-CD2 3.9Å; V239-F243 HydrophobicContact CG1-CE2 3.64Å; V239-F243 VanDerWaalsContact O-CD2 3.3Å; V239-F243 WeakPolarHBondContact O-CD2 3.49Å; V239-F243 PolarHBondContact O-N 3.44Å; V239-F243 VanDerWaalsContact O-N 3.1Å; F243-K245 VanDerWaalsContact C-N 3.27Å; F243-K245 PolarHBondContact O-N 2.92Å; F243-E246 PolarHBondContact O-N 3.24Å; F243-I247 WeakPolarHBondContact O-CB 3.45Å; F243-I247 VanDerWaalsContact O-CG1 3.27Å; F243-I247 WeakPolarHBondContact O-CG1 3.5Å; F243-I247 PolarHBondContact O-N 2.82Å; F243-W287 HydrophobicContact CB-CH2 3.86Å; F243-W287 HydrophobicContact CB-CZ2 4.22Å
244L96Very high93.9Very high19 Ų1959 Ų5910%0.09931%0.308CS..Hα-helixtrans-64.2-35.3179.4-174.361.5000111.9L240 G241 E242 K248 W287 E290L240-L244 WeakPolarHBondContact O-CB 3.18Å; L240-L244 PolarHBondContact O-N 2.99Å; G241-L244 PolarHBondContact O-N 3.33Å; E242-L244 VanDerWaalsContact C-N 3.32Å; E242-L244 PolarHBondContact O-N 3.41Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.44Å; L244-K248 PolarHBondContact O-N 2.92Å; L244-K248 VanDerWaalsContact O-N 3.1Å; L244-W287 HydrophobicContact CB-CZ2 4.03Å; L244-W287 HydrophobicContact CD1-CD2 4.05Å; L244-W287 HydrophobicContact CD1-CE3 4.41Å; L244-W287 HydrophobicContact CD1-CG 4.23Å; L244-W287 HydrophobicContact CD2-CG 4.49Å; L244-E290 HydrophobicContact CD1-CB 4.02Å; L244-E290 HydrophobicContact CD1-CG 4.12Å; L244-E290 HydrophobicContact CD2-CG 4.29Å
245K94.6Very high93.7Very high127 Ų12754.6 Ų54.655%0.55229%0.294SS*.Hα-helixtrans-69.9-38.2175.7177.1-172.1169.2-162.80111.7G241 E242 F243 K248 K249G241-K245 WeakPolarHBondContact O-CB 3.44Å; G241-K245 PolarHBondContact O-N 3.36Å; E242-K245 WeakPolarHBondContact O-CB 3.4Å; E242-K245 PolarHBondContact O-N 3.23Å; E242-K245 VanDerWaalsContact O-N 3.1Å; E242-K245 IonicContact OE1-NZ 2.69Å; E242-K245 WeakPolarHBondContact OE2-CD 3.26Å; E242-K245 IonicContact OE2-NZ 3.72Å; E242-K245 PolarHBondContact OE2-NZ 2.64Å; F243-K245 VanDerWaalsContact C-N 3.27Å; F243-K245 PolarHBondContact O-N 2.92Å; K245-K248 PolarHBondContact O-N 3.16Å; K245-K249 PolarHBondContact O-N 2.91Å; K245-K249 VanDerWaalsContact O-N 3.17Å
246E93.3Very high93.4Very high50 Ų5053.3 Ų53.323%0.23428%0.284CS..Hα-helixtrans-64-46.9172.8-163.2-173.3176.900111.2L211 E242 F243 K248 K249 T250L211-E246 HydrophobicContact CD2-CG 4.01Å; E242-E246 PolarHBondContact O-N 3.28Å; F243-E246 PolarHBondContact O-N 3.24Å; E246-K248 VanDerWaalsContact C-N 3.26Å; E246-K248 PolarHBondContact O-N 2.87Å; E246-K249 WeakPolarHBondContact O-CA 3.45Å; E246-K249 WeakPolarHBondContact O-CB 3.45Å; E246-K249 PolarHBondContact O-N 3.47Å; E246-T250 PolarHBondContact O-N 3Å; E246-T250 PolarHBondContact O-OG1 2.74Å
247I94.8Very high93Very high0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-54.2-42.2174.4-72.5168.2000111.6L211 L214 F243 K249 T250 P251 V254 F256 W287 F291 L294L211-I247 HydrophobicContact CD1-CD1 4.18Å; L211-I247 HydrophobicContact CD1-CG1 3.63Å; L214-I247 HydrophobicContact CD2-CD1 3.86Å; F243-I247 WeakPolarHBondContact O-CB 3.45Å; F243-I247 VanDerWaalsContact O-CG1 3.27Å; F243-I247 WeakPolarHBondContact O-CG1 3.5Å; F243-I247 PolarHBondContact O-N 2.82Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 3.19Å; I247-T250 CarbonylContact O-C 3.58Å; I247-P251 WeakPolarHBondContact O-CA 3.22Å; I247-V254 HydrophobicContact CB-CG2 4.23Å; I247-V254 HydrophobicContact CG1-CG1 4.24Å; I247-V254 HydrophobicContact CG1-CG2 3.91Å; I247-V254 HydrophobicContact CG2-CG1 4.32Å; I247-V254 HydrophobicContact CG2-CG2 4.11Å; I247-F256 HydrophobicContact CG2-CE1 4.03Å; I247-F256 HydrophobicContact CG2-CZ 4.22Å; I247-W287 HydrophobicContact CD1-CE3 4.46Å; I247-W287 HydrophobicContact CD1-CH2 4.11Å; I247-W287 HydrophobicContact CD1-CZ3 3.71Å; I247-F291 HydrophobicContact CD1-CE1 4.02Å; I247-F291 HydrophobicContact CD1-CZ 4.36Å; I247-F291 HydrophobicContact CG2-CE1 4.38Å; I247-L294 HydrophobicContact CG2-CD1 3.74Å
248K94.4Very high92.7Very high94 Ų9456.5 Ų56.541%0.40931%0.305SS..Hα-helixtrans-66.4-30.7176.2-73.8175.1-174.5-146.90113L244 K245 E246 E290 L294L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.44Å; L244-K248 PolarHBondContact O-N 2.92Å; L244-K248 VanDerWaalsContact O-N 3.1Å; K245-K248 PolarHBondContact O-N 3.16Å; E246-K248 VanDerWaalsContact C-N 3.26Å; E246-K248 PolarHBondContact O-N 2.87Å; K248-E290 WeakPolarHBondContact CE-OE2 3.29Å; K248-E290 IonicContact NZ-OE1 3.68Å; K248-E290 PolarHBondContact NZ-OE1 2.77Å; K248-E290 VanDerWaalsContact NZ-OE1 3.17Å; K248-E290 IonicContact NZ-OE2 2.74Å; K248-E290 PolarHBondContact NZ-OE2 2.95Å; K248-L294 HydrophobicContact CG-CD1 3.99Å
249K92.4Very high92.6Very high177 Ų17753.4 Ų53.477%0.7729%0.286SS*.Hα-helixtrans-78.2-38.9-179.7-172.2-175.8175-169.40111.7K245 E246 I247K245-K249 PolarHBondContact O-N 2.91Å; K245-K249 VanDerWaalsContact O-N 3.17Å; E246-K249 WeakPolarHBondContact O-CA 3.45Å; E246-K249 WeakPolarHBondContact O-CB 3.45Å; E246-K249 PolarHBondContact O-N 3.47Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 3.19Å
250T90.1Very high92.3Very high52 Ų5253.7 Ų53.732%0.31929%0.289SS..  trans-130.566.1-176.552.50000111.9E246 I247 S252 S253 V254E246-T250 PolarHBondContact O-N 3Å; E246-T250 PolarHBondContact O-OG1 2.74Å; I247-T250 CarbonylContact O-C 3.58Å; T250-S252 VanDerWaalsContact C-N 3.26Å; T250-S252 PolarHBondContact O-N 3Å; T250-S253 PolarHBondContact O-OG 3.41Å; T250-V254 WeakPolarHBondContact O-CG2 3.33Å
251P90.2Very high92Very high47 Ų4758.1 Ų58.131%0.30531%0.312SS..G310 helixtrans-67.3-23.1-174.926.3-35000113.8I247 S253 V254 F256 L294I247-P251 WeakPolarHBondContact O-CA 3.22Å; P251-S253 VanDerWaalsContact C-N 3.35Å; P251-S253 PolarHBondContact O-N 3.42Å; P251-V254 PolarHBondContact O-N 3.04Å; P251-F256 HydrophobicContact CB-CZ 4.38Å; P251-F256 WeakPolarHBondContact O-CE2 2.91Å; P251-L294 HydrophobicContact CB-CB 4.32Å; P251-L294 HydrophobicContact CB-CD2 4.39Å
252S85.5Confident91.9Very high123 Ų12357.7 Ų57.786%0.8630%0.302SS*.G310 helixtrans-70.7-24.3-175.351.60000114.6T250T250-S252 VanDerWaalsContact C-N 3.26Å; T250-S252 PolarHBondContact O-N 3Å
253S84.4Confident91.9Very high59 Ų5954.7 Ų54.741%0.41329%0.288SS..G310 helixtrans-89.6-5.8177.354.40000113.3T250 P251T250-S253 PolarHBondContact O-OG 3.41Å; P251-S253 VanDerWaalsContact C-N 3.35Å; P251-S253 PolarHBondContact O-N 3.42Å
254V90.6Very high91.7Very high15 Ų1555.2 Ų55.29%0.09129%0.291CS..  trans-84.1126.1-169.8179.60000111.4L211 I247 T250 P251 F256 M259L211-V254 HydrophobicContact CD2-CG2 4.14Å; I247-V254 HydrophobicContact CB-CG2 4.23Å; I247-V254 HydrophobicContact CG1-CG1 4.24Å; I247-V254 HydrophobicContact CG1-CG2 3.91Å; I247-V254 HydrophobicContact CG2-CG1 4.32Å; I247-V254 HydrophobicContact CG2-CG2 4.11Å; T250-V254 WeakPolarHBondContact O-CG2 3.33Å; P251-V254 PolarHBondContact O-N 3.04Å; V254-F256 VanDerWaalsContact C-N 3.26Å; V254-F256 HydrophobicContact CB-CD2 4.13Å; V254-F256 HydrophobicContact CB-CE1 4.22Å; V254-F256 HydrophobicContact CB-CE2 3.73Å; V254-F256 HydrophobicContact CB-CZ 3.78Å; V254-F256 HydrophobicContact CG1-CD1 3.79Å; V254-F256 HydrophobicContact CG1-CD2 4.11Å; V254-F256 HydrophobicContact CG1-CE1 3.66Å; V254-F256 HydrophobicContact CG1-CE2 3.99Å; V254-F256 HydrophobicContact CG1-CG 4.02Å; V254-F256 HydrophobicContact CG1-CZ 3.76Å; V254-F256 HydrophobicContact CG2-CZ 4.46Å; V254-F256 VanDerWaalsContact O-CD2 3.3Å; V254-F256 WeakPolarHBondContact O-CD2 3.31Å; V254-F256 PolarHBondContact O-N 3.03Å; V254-M259 HydrophobicContact CG1-CE 3.52Å
255K90.9Very high91.6Very high92 Ų9259.3 Ų59.340%0.431%0.312SS..  trans-79.865.7176.3-62.9167.2177.8173.70111.8D212 P215 A257 E258D212-K255 PolarHBondContact O-NZ 2.83Å; P215-K255 HydrophobicContact CG-CB 4.08Å; P215-K255 HydrophobicContact CG-CD 4.16Å; K255-A257 VanDerWaalsContact C-N 3.25Å; K255-A257 PolarHBondContact O-N 2.86Å; K255-E258 HydrophobicContact CB-CB 4.41Å; K255-E258 HydrophobicContact CB-CG 4.37Å; K255-E258 PolarHBondContact O-N 3.27Å
256F91.1Very high91.6Very high18 Ų1853.9 Ų53.98%0.07929%0.288CS..Hα-helixtrans-54.8-39.8-177.3-66.5-74.2000113.4I247 P251 V254 E258 M259 A260 F291 L294 A295I247-F256 HydrophobicContact CG2-CE1 4.03Å; I247-F256 HydrophobicContact CG2-CZ 4.22Å; P251-F256 HydrophobicContact CB-CZ 4.38Å; P251-F256 WeakPolarHBondContact O-CE2 2.91Å; V254-F256 VanDerWaalsContact C-N 3.26Å; V254-F256 HydrophobicContact CB-CD2 4.13Å; V254-F256 HydrophobicContact CB-CE1 4.22Å; V254-F256 HydrophobicContact CB-CE2 3.73Å; V254-F256 HydrophobicContact CB-CZ 3.78Å; V254-F256 HydrophobicContact CG1-CD1 3.79Å; V254-F256 HydrophobicContact CG1-CD2 4.11Å; V254-F256 HydrophobicContact CG1-CE1 3.66Å; V254-F256 HydrophobicContact CG1-CE2 3.99Å; V254-F256 HydrophobicContact CG1-CG 4.02Å; V254-F256 HydrophobicContact CG1-CZ 3.76Å; V254-F256 HydrophobicContact CG2-CZ 4.46Å; V254-F256 VanDerWaalsContact O-CD2 3.3Å; V254-F256 WeakPolarHBondContact O-CD2 3.31Å; V254-F256 PolarHBondContact O-N 3.03Å; F256-E258 PolarHBondContact O-N 3.09Å; F256-M259 PolarHBondContact O-N 3.26Å; F256-A260 PolarHBondContact O-N 2.97Å; F256-F291 HydrophobicContact CB-CD2 4.49Å; F256-F291 HydrophobicContact CD1-CB 4.24Å; F256-F291 AromaticContact CD1-CD1 3.92Å; F256-F291 HydrophobicContact CD1-CD1 3.92Å; F256-F291 AromaticContact CD1-CD2 3.57Å; F256-F291 HydrophobicContact CD1-CD2 3.57Å; F256-F291 HydrophobicContact CD1-CE1 4.09Å; F256-F291 AromaticContact CD1-CE2 3.75Å; F256-F291 HydrophobicContact CD1-CE2 3.75Å; F256-F291 AromaticContact CD1-CG 3.65Å; F256-F291 HydrophobicContact CD1-CG 3.65Å; F256-F291 HydrophobicContact CD1-CZ 4.01Å; F256-F291 AromaticContact CE1-CD1 3.85Å; F256-F291 HydrophobicContact CE1-CD1 3.85Å; F256-F291 HydrophobicContact CE1-CD2 4.34Å; F256-F291 HydrophobicContact CE1-CE1 4.05Å; F256-F291 AromaticContact CE1-CG 4Å; F256-F291 HydrophobicContact CE1-CG 4Å; F256-F291 HydrophobicContact CE1-CZ 4.37Å; F256-L294 HydrophobicContact CE1-CB 4.26Å; F256-L294 HydrophobicContact CZ-CB 3.8Å; F256-A295 HydrophobicContact CB-CB 3.96Å; F256-A295 HydrophobicContact CD1-CB 3.96Å; F256-A295 HydrophobicContact CD2-CB 3.5Å; F256-A295 HydrophobicContact CE1-CB 4.31Å; F256-A295 HydrophobicContact CE2-CB 3.87Å; F256-A295 HydrophobicContact CG-CB 3.54Å; F256-A295 HydrophobicContact CZ-CB 4.27Å
257A87.1Confident91.6Very high34 Ų3451.6 Ų51.628%0.28128%0.278SS..Hα-helixtrans-54.9-46.817900000113.2K255 M259 Y302K255-A257 VanDerWaalsContact C-N 3.25Å; K255-A257 PolarHBondContact O-N 2.86Å; A257-M259 VanDerWaalsContact C-N 3.27Å; A257-M259 PolarHBondContact O-N 3.19Å; A257-Y302 HydrophobicContact CB-CE2 3.98Å; A257-Y302 WeakPolarHBondContact CB-OH 3.35Å
258E90.1Very high91.4Very high113 Ų11355.7 Ų55.753%0.52830%0.297SS..Hα-helixtrans-70.1-25.8-177.1-64.5176.3-150.900112.3P215 K255 F256P215-E258 HydrophobicContact CB-CB 3.83Å; P215-E258 HydrophobicContact CG-CB 4.17Å; K255-E258 HydrophobicContact CB-CB 4.41Å; K255-E258 HydrophobicContact CB-CG 4.37Å; K255-E258 PolarHBondContact O-N 3.27Å; F256-E258 PolarHBondContact O-N 3.09Å
259M94.3Very high90.8Very high2 Ų252.9 Ų52.91%0.0129%0.288CS..Hα-helixtrans-95.5-16.8-178.1-72.1-174.6-69.600114.1L214 P215 L218 V254 F256 A257 N261 I262 L263 F291L214-M259 HydrophobicContact CB-SD 4.27Å; L214-M259 HydrophobicContact CD2-SD 3.79Å; L214-M259 HydrophobicContact CG-SD 3.77Å; P215-M259 HydrophobicContact CB-CG 3.94Å; P215-M259 HydrophobicContact CG-CG 3.92Å; P215-M259 HydrophobicContact CG-SD 4.29Å; L218-M259 HydrophobicContact CD2-CB 3.95Å; L218-M259 HydrophobicContact CD2-CG 3.81Å; L218-M259 HydrophobicContact CD2-SD 3.78Å; V254-M259 HydrophobicContact CG1-CE 3.52Å; F256-M259 PolarHBondContact O-N 3.26Å; A257-M259 VanDerWaalsContact C-N 3.27Å; A257-M259 PolarHBondContact O-N 3.19Å; M259-N261 PolarHBondContact O-N 3.32Å; M259-I262 WeakPolarHBondContact O-CB 3.18Å; M259-I262 PolarHBondContact O-N 2.79Å; M259-L263 PolarHBondContact O-N 3.15Å; M259-L263 VanDerWaalsContact O-N 3.09Å; M259-F291 HydrophobicContact CB-CE2 3.69Å; M259-F291 HydrophobicContact CB-CZ 4.2Å; M259-F291 HydrophobicContact CE-CE2 3.98Å; M259-F291 HydrophobicContact CE-CZ 3.61Å; M259-F291 HydrophobicContact SD-CE2 4.49Å; M259-F291 HydrophobicContact SD-CZ 4.08Å
260A91.8Very high89.5Confident7 Ų747.5 Ų47.56%0.05828%0.276CS..Hα-helixtrans-57.5-47.2-174.600000112.4F256 I262 L263 V264 Y302F256-A260 PolarHBondContact O-N 2.97Å; A260-I262 VanDerWaalsContact C-N 3.35Å; A260-I262 PolarHBondContact O-N 2.91Å; A260-L263 PolarHBondContact O-N 3.42Å; A260-V264 VanDerWaalsContact O-CG2 3.31Å; A260-V264 WeakPolarHBondContact O-CG2 3.48Å; A260-V264 PolarHBondContact O-N 3.21Å; A260-Y302 HydrophobicContact CB-CD1 3.9Å; A260-Y302 HydrophobicContact CB-CD2 4.14Å; A260-Y302 HydrophobicContact CB-CE1 4.39Å; A260-Y302 HydrophobicContact CB-CG 3.77Å
261N91.8Very high88.1Confident94 Ų9449.9 Ų49.950%0.50329%0.287SS..Hα-helixtrans-66.9-35.6180-72.3-26.8000112.6M259 L263 V264 I265M259-N261 PolarHBondContact O-N 3.32Å; N261-L263 VanDerWaalsContact C-N 3.35Å; N261-V264 PolarHBondContact O-N 3.5Å; N261-I265 WeakPolarHBondContact O-CG1 3.32Å; N261-I265 PolarHBondContact O-N 3.32Å
262I94.4Very high86.6Confident26 Ų2655.7 Ų55.713%0.13331%0.31CS..Hα-helixtrans-60.6-48.5175.7-60173.5000109.3P215 L218 D219 M259 A260 V264 I265 H266P215-I262 VanDerWaalsContact O-CD1 3.3Å; P215-I262 WeakPolarHBondContact O-CD1 3.47Å; L218-I262 HydrophobicContact CB-CD1 4.46Å; L218-I262 HydrophobicContact CB-CG2 4.44Å; L218-I262 HydrophobicContact CD2-CB 4.48Å; L218-I262 HydrophobicContact CD2-CG2 4.16Å; L218-I262 HydrophobicContact CG-CG2 4.13Å; D219-I262 HydrophobicContact CB-CG2 3.83Å; M259-I262 WeakPolarHBondContact O-CB 3.18Å; M259-I262 PolarHBondContact O-N 2.79Å; A260-I262 VanDerWaalsContact C-N 3.35Å; A260-I262 PolarHBondContact O-N 2.91Å; I262-V264 PolarHBondContact O-N 2.59Å; I262-I265 PolarHBondContact O-N 3.19Å; I262-H266 PolarHBondContact O-CD2 2.76Å; I262-H266 PolarHBondContact O-N 3.48Å; I262-H266 VanDerWaalsContact O-N 3.13Å
263L95.1Very high85.2Confident0 Ų054 Ų540%030%0.304CS..Hα-helixtrans-63.8-40.7178-66.7177.9000112.2L218 F222 M259 A260 N261 I265 H266 C267 W287 M288 F291L218-L263 HydrophobicContact CD2-CD2 4.23Å; L218-L263 HydrophobicContact CD2-CG 4.42Å; F222-L263 HydrophobicContact CE2-CD2 3.61Å; F222-L263 HydrophobicContact CZ-CD2 3.75Å; M259-L263 PolarHBondContact O-N 3.15Å; M259-L263 VanDerWaalsContact O-N 3.09Å; A260-L263 PolarHBondContact O-N 3.42Å; N261-L263 VanDerWaalsContact C-N 3.35Å; L263-I265 VanDerWaalsContact C-N 3.31Å; L263-I265 PolarHBondContact O-N 3.46Å; L263-H266 PolarHBondContact O-N 3.41Å; L263-C267 WeakPolarHBondContact O-CB 3.32Å; L263-C267 PolarHBondContact O-N 3.35Å; L263-C267 PolarHBondContact O-SG 2.71Å; L263-W287 HydrophobicContact CD1-CB 4.06Å; L263-W287 HydrophobicContact CD2-CB 3.75Å; L263-W287 HydrophobicContact CD2-CE3 4.31Å; L263-W287 HydrophobicContact CD2-CG 4.36Å; L263-M288 HydrophobicContact CB-CE 3.46Å; L263-M288 VanDerWaalsContact CB-CE 3.46Å; L263-M288 HydrophobicContact CD1-CE 4.4Å; L263-F291 HydrophobicContact CD1-CD1 4.29Å; L263-F291 HydrophobicContact CD1-CD2 3.47Å; L263-F291 VanDerWaalsContact CD1-CD2 3.47Å; L263-F291 HydrophobicContact CD1-CE1 4.33Å; L263-F291 HydrophobicContact CD1-CE2 3.52Å; L263-F291 HydrophobicContact CD1-CG 3.9Å; L263-F291 HydrophobicContact CD1-CZ 3.97Å
264V94.1Very high84.6Confident11 Ų1155.2 Ų55.27%0.06730%0.301CS..Hα-helixtrans-56.7-45.1175.81680000111.3A260 N261 I262 C267 Q268 M288 G305 I306 A309A260-V264 VanDerWaalsContact O-CG2 3.31Å; A260-V264 WeakPolarHBondContact O-CG2 3.48Å; A260-V264 PolarHBondContact O-N 3.21Å; N261-V264 PolarHBondContact O-N 3.5Å; I262-V264 PolarHBondContact O-N 2.59Å; V264-C267 PolarHBondContact O-N 2.88Å; V264-Q268 WeakPolarHBondContact O-CG 3.42Å; V264-Q268 PolarHBondContact O-N 3.35Å; V264-M288 HydrophobicContact CG2-CE 3.71Å; V264-G305 WeakPolarHBondContact CG1-O 3.43Å; V264-I306 HydrophobicContact CG2-CG1 4.13Å; V264-A309 HydrophobicContact CG1-CB 4.35Å
265I93.6Very high83.6Confident105 Ų10561.8 Ų61.854%0.53834%0.335SS..Hα-helixtrans-60.5-49.5177.3-68.9163.9000110.4N261 I262 L263 C267 Q268N261-I265 WeakPolarHBondContact O-CG1 3.32Å; N261-I265 PolarHBondContact O-N 3.32Å; I262-I265 PolarHBondContact O-N 3.19Å; L263-I265 VanDerWaalsContact C-N 3.31Å; L263-I265 PolarHBondContact O-N 3.46Å; I265-C267 VanDerWaalsContact C-N 3.34Å; I265-C267 PolarHBondContact O-N 3.19Å; I265-Q268 PolarHBondContact O-N 3.2Å; I265-Q268 VanDerWaalsContact O-N 3.1Å
266H94.1Very high83Confident13 Ų1358.1 Ų58.16%0.0632%0.32CS..Hα-helixtrans-71.6-24.7-177.3-72.8-64.5000113.7D219 F222 I262 L263 Q268 V269 I280 A284D219-H266 IonicContact OD1-CD2 3.39Å; D219-H266 IonicContact OD1-CE1 3.99Å; D219-H266 IonicContact OD1-NE2 3.31Å; D219-H266 PolarHBondContact OD1-NE2 2.97Å; F222-H266 VanDerWaalsContact CB-CE1 3.47Å; F222-H266 WeakPolarHBondContact CB-CE1 3.5Å; F222-H266 HydrophobicContact CD1-CB 4.26Å; F222-H266 AromaticContact CD2-CD2 3.78Å; F222-H266 HydrophobicContact CG-CB 4.21Å; F222-H266 AromaticContact CG-CD2 3.79Å; F222-H266 AromaticContact CG-CG 3.76Å; I262-H266 PolarHBondContact O-CD2 2.76Å; I262-H266 PolarHBondContact O-N 3.48Å; I262-H266 VanDerWaalsContact O-N 3.13Å; L263-H266 PolarHBondContact O-N 3.41Å; H266-Q268 VanDerWaalsContact C-N 3.27Å; H266-Q268 PolarHBondContact O-N 2.88Å; H266-V269 WeakPolarHBondContact O-CG2 3.45Å; H266-I280 HydrophobicContact CB-CG2 4.06Å; H266-A284 HydrophobicContact CB-CB 3.72Å
267C93.2Very high82.7Confident1 Ų157.9 Ų57.91%0.00732%0.32CS..Hα-helixtrans-69.2-23170.1-72.80000113.3L263 V264 I265 Q281 M285 A309L263-C267 WeakPolarHBondContact O-CB 3.32Å; L263-C267 PolarHBondContact O-N 3.35Å; L263-C267 PolarHBondContact O-SG 2.71Å; V264-C267 PolarHBondContact O-N 2.88Å; I265-C267 VanDerWaalsContact C-N 3.34Å; I265-C267 PolarHBondContact O-N 3.19Å; C267-Q281 WeakPolarHBondContact O-CG 3.29Å; C267-Q281 PolarHBondContact O-NE2 3.47Å; C267-M285 HydrophobicContact CB-CE 3.93Å; C267-M285 PolarHBondContact SG-N 3.3Å; C267-M285 VanDerWaalsContact SG-N 3.42Å; C267-A309 HydrophobicContact CB-CB 3.68Å
268Q89.9Confident82.7Confident86 Ų8658.9 Ų58.940%0.40232%0.321SS..THydrogen-bonded Turntrans-95.16-177-68.417823.100113.6V264 I265 H266 A270 A309V264-Q268 WeakPolarHBondContact O-CG 3.42Å; V264-Q268 PolarHBondContact O-N 3.35Å; I265-Q268 PolarHBondContact O-N 3.2Å; I265-Q268 VanDerWaalsContact O-N 3.1Å; H266-Q268 VanDerWaalsContact C-N 3.27Å; H266-Q268 PolarHBondContact O-N 2.88Å; Q268-A270 PolarHBondContact O-N 3.48Å; Q268-A309 HydrophobicContact CG-CB 3.76Å
269V83Confident82.7Confident36 Ų3655.5 Ų55.522%0.21831%0.306CS..  trans-66.899.9177.8-176.20000109.1H266 N277 I280H266-V269 WeakPolarHBondContact O-CG2 3.45Å; V269-N277 HydrophobicContact CG1-CB 3.69Å; V269-N277 VanDerWaalsContact CG1-CG 3.4Å; V269-I280 HydrophobicContact CG2-CG2 4.3Å
270A63.9Low82.7Confident63 Ų6355.9 Ų55.952%0.52131%0.308SS..  trans-112.13.1-167.200000114.7Q268 E272Q268-A270 PolarHBondContact O-N 3.48Å; A270-E272 PolarHBondContact O-N 3.3Å
271D61Low82.7Confident102 Ų10255.6 Ų55.655%0.54531%0.306SS..  trans-70.2101.4179.4-179.19.9000110.6A273 K274 N277D271-A273 PolarHBondContact O-N 3.46Å; D271-A273 VanDerWaalsContact OD1-CB 3.22Å; D271-A273 WeakPolarHBondContact OD1-CB 3.15Å; D271-A273 PolarHBondContact OD1-N 2.86Å; D271-K274 PolarHBondContact O-N 2.98Å; D271-N277 PolarHBondContact O-ND2 3.3Å
272E59.7Low82.8Confident169 Ų16953.2 Ų53.279%0.7929%0.292SS*.THydrogen-bonded Turntrans-63.4-15.2-179.5-61.3-171.6165.800113.1A270 K274A270-E272 PolarHBondContact O-N 3.3Å; E272-K274 PolarHBondContact O-N 3.37Å
273A56Low82.8Confident89 Ų8953 Ų5374%0.73629%0.292SS*.THydrogen-bonded Turntrans-70.8-19.5-178.800000113.2D271D271-A273 PolarHBondContact O-N 3.46Å; D271-A273 VanDerWaalsContact OD1-CB 3.22Å; D271-A273 WeakPolarHBondContact OD1-CB 3.15Å; D271-A273 PolarHBondContact OD1-N 2.86Å
274K70.7Confident82.9Confident83 Ų8353 Ų5336%0.36129%0.292SS..  trans-116.2108-176.7-160-174-177.1-165.60110.8G226 D271 E272 T276 N277G226-K274 PolarHBondContact O-NZ 3.18Å; D271-K274 PolarHBondContact O-N 2.98Å; E272-K274 PolarHBondContact O-N 3.37Å; K274-T276 WeakPolarHBondContact CD-OG1 3.42Å; K274-T276 WeakPolarHBondContact CE-OG1 3.37Å; K274-T276 WeakPolarHBondContact CG-OG1 3.31Å; K274-T276 PolarHBondContact O-N 3.25Å; K274-N277 VanDerWaalsContact O-CB 3.26Å; K274-N277 WeakPolarHBondContact O-CB 3.46Å; K274-N277 PolarHBondContact O-N 3.13Å
275L69.8Low82.9Confident154 Ų15452.5 Ų52.581%0.80629%0.289SS*.Hα-helixtrans-53.3-26.9178.8-170.472.5000113.7N277L275-N277 VanDerWaalsContact C-N 3.27Å; L275-N277 PolarHBondContact O-N 3.14Å
276T79.4Confident83.1Confident14 Ų1449 Ų499%0.08627%0.273CS..Hα-helixtrans-73.1-18.1178.461.70000113.3G226 K274 D278 L279 I280G226-T276 PolarHBondContact O-OG1 2.94Å; K274-T276 WeakPolarHBondContact CD-OG1 3.42Å; K274-T276 WeakPolarHBondContact CE-OG1 3.37Å; K274-T276 WeakPolarHBondContact CG-OG1 3.31Å; K274-T276 PolarHBondContact O-N 3.25Å; T276-D278 VanDerWaalsContact C-N 3.34Å; T276-L279 WeakPolarHBondContact O-CB 3.28Å; T276-L279 PolarHBondContact O-N 3.13Å; T276-I280 WeakPolarHBondContact O-CG1 3.35Å; T276-I280 PolarHBondContact O-N 3.29Å; T276-I280 VanDerWaalsContact O-N 3.11Å
277N83.9Confident83.2Confident14 Ų1448.7 Ų48.78%0.07527%0.271CS..Hα-helixtrans-67.6-35.3177.6-70.5-8.1000112V269 D271 K274 L275 L279 I280 Q281V269-N277 HydrophobicContact CG1-CB 3.69Å; V269-N277 VanDerWaalsContact CG1-CG 3.4Å; D271-N277 PolarHBondContact O-ND2 3.3Å; K274-N277 VanDerWaalsContact O-CB 3.26Å; K274-N277 WeakPolarHBondContact O-CB 3.46Å; K274-N277 PolarHBondContact O-N 3.13Å; L275-N277 VanDerWaalsContact C-N 3.27Å; L275-N277 PolarHBondContact O-N 3.14Å; N277-L279 VanDerWaalsContact C-N 3.28Å; N277-L279 PolarHBondContact O-N 3.41Å; N277-I280 PolarHBondContact O-N 3.07Å; N277-Q281 WeakPolarHBondContact O-CB 3.41Å; N277-Q281 PolarHBondContact O-N 2.92Å
278D86.9Confident83.3Confident55 Ų5548.8 Ų48.829%0.29427%0.272SS..Hα-helixtrans-63-37.2175.3-72.2-5.1000111.6T276 L282 K320T276-D278 VanDerWaalsContact C-N 3.34Å; D278-L282 VanDerWaalsContact O-CB 3.25Å; D278-L282 WeakPolarHBondContact O-CB 3.42Å; D278-L282 PolarHBondContact O-N 3.35Å; D278-K320 WeakPolarHBondContact OD1-CE 3.39Å; D278-K320 IonicContact OD1-NZ 2.65Å; D278-K320 PolarHBondContact OD1-NZ 2.92Å
279L90.6Very high83.6Confident41 Ų4147.4 Ų47.422%0.21526%0.263CS..Hα-helixtrans-66.8-45.6174.7177.262.7000111.6L225 E237 T276 N277 L282 T283L225-L279 HydrophobicContact CD1-CD2 3.86Å; L225-L279 HydrophobicContact CD1-CG 4.21Å; L225-L279 HydrophobicContact CD2-CG 4.49Å; L225-L279 HydrophobicContact CG-CD2 4.31Å; L225-L279 HydrophobicContact CG-CG 4.35Å; E237-L279 HydrophobicContact CG-CD2 4.47Å; E237-L279 WeakPolarHBondContact OE2-CD1 3.22Å; T276-L279 WeakPolarHBondContact O-CB 3.28Å; T276-L279 PolarHBondContact O-N 3.13Å; N277-L279 VanDerWaalsContact C-N 3.28Å; N277-L279 PolarHBondContact O-N 3.41Å; L279-L282 PolarHBondContact O-N 3.07Å; L279-T283 WeakPolarHBondContact O-CB 3.5Å; L279-T283 PolarHBondContact O-N 3.44Å; L279-T283 PolarHBondContact O-OG1 3.45Å
280I93.3Very high84.2Confident10 Ų1046.5 Ų46.55%0.05126%0.256CS..Hα-helixtrans-59.1-51.8176.8-65.2167.3000109.9F222 L225 H266 V269 T276 N277 L282 T283 A284F222-I280 HydrophobicContact CD1-CG2 4.08Å; L225-I280 HydrophobicContact CB-CG1 4.44Å; L225-I280 HydrophobicContact CD2-CG1 4.23Å; L225-I280 HydrophobicContact CG-CG1 4.22Å; H266-I280 HydrophobicContact CB-CG2 4.06Å; V269-I280 HydrophobicContact CG2-CG2 4.3Å; T276-I280 WeakPolarHBondContact O-CG1 3.35Å; T276-I280 PolarHBondContact O-N 3.29Å; T276-I280 VanDerWaalsContact O-N 3.11Å; N277-I280 PolarHBondContact O-N 3.07Å; I280-L282 PolarHBondContact O-N 3.42Å; I280-T283 PolarHBondContact O-N 3.14Å; I280-A284 WeakPolarHBondContact O-CB 3.4Å; I280-A284 PolarHBondContact O-N 3.03Å
281Q93.3Very high85.6Confident2 Ų243.6 Ų43.61%0.00923%0.232CC..Hα-helixtrans-59.2-47-178.9179.4177.760.300111.4C267 N277 A284 M285 Y316 T323C267-Q281 WeakPolarHBondContact O-CG 3.29Å; C267-Q281 PolarHBondContact O-NE2 3.47Å; N277-Q281 WeakPolarHBondContact O-CB 3.41Å; N277-Q281 PolarHBondContact O-N 2.92Å; Q281-A284 PolarHBondContact O-N 3.4Å; Q281-M285 WeakPolarHBondContact O-CB 3.43Å; Q281-M285 PolarHBondContact O-N 3.32Å; Q281-Y316 PolarHBondContact NE2-OH 2.9Å; Q281-T323 HydrophobicContact CG-CG2 3.96Å
282L92.9Very high87.2Confident43 Ų4338.9 Ų38.923%0.22521%0.207CC..Hα-helixtrans-63.8-43.1179.3178.360.6000111.8D278 L279 I280 M285 T286 N322 V326D278-L282 VanDerWaalsContact O-CB 3.25Å; D278-L282 WeakPolarHBondContact O-CB 3.42Å; D278-L282 PolarHBondContact O-N 3.35Å; L279-L282 PolarHBondContact O-N 3.07Å; I280-L282 PolarHBondContact O-N 3.42Å; L282-M285 PolarHBondContact O-N 3.31Å; L282-T286 WeakPolarHBondContact O-CB 3.45Å; L282-T286 PolarHBondContact O-N 3.31Å; L282-T286 PolarHBondContact O-OG1 2.68Å; L282-N322 HydrophobicContact CD1-CB 3.97Å; L282-N322 HydrophobicContact CD2-CB 4.15Å; L282-V326 HydrophobicContact CD1-CG2 4.23Å
283T95.2Very high88.8Confident22 Ų2236 Ų3614%0.13519%0.193CC..Hα-helixtrans-64.3-47.9177.9-61.20000110.7F222 L225 L240 L279 I280 M285 T286 W287F222-T283 HydrophobicContact CE1-CG2 3.89Å; F222-T283 HydrophobicContact CZ-CG2 4.43Å; L225-T283 HydrophobicContact CD2-CG2 4.05Å; L240-T283 HydrophobicContact CD1-CG2 4.2Å; L279-T283 WeakPolarHBondContact O-CB 3.5Å; L279-T283 PolarHBondContact O-N 3.44Å; L279-T283 PolarHBondContact O-OG1 3.45Å; I280-T283 PolarHBondContact O-N 3.14Å; T283-M285 PolarHBondContact O-N 3.12Å; T283-T286 WeakPolarHBondContact O-CB 3.3Å; T283-T286 PolarHBondContact O-N 3.3Å; T283-W287 VanDerWaalsContact O-CD1 3.23Å; T283-W287 PolarHBondContact O-N 3.09Å
284A96.6Very high90.6Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-62-42.4177.300000111.9F222 H266 I280 Q281 T286 W287 M288F222-A284 HydrophobicContact CE1-CB 3.76Å; F222-A284 HydrophobicContact CZ-CB 3.97Å; H266-A284 HydrophobicContact CB-CB 3.72Å; I280-A284 WeakPolarHBondContact O-CB 3.4Å; I280-A284 PolarHBondContact O-N 3.03Å; Q281-A284 PolarHBondContact O-N 3.4Å; A284-T286 VanDerWaalsContact C-N 3.3Å; A284-T286 PolarHBondContact O-N 3.28Å; A284-W287 WeakPolarHBondContact O-CB 3.5Å; A284-W287 PolarHBondContact O-N 3.25Å; A284-M288 WeakPolarHBondContact O-CB 3.47Å; A284-M288 PolarHBondContact O-N 3.12Å
285M94.9Very high91.5Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-64.6-36.3176.8-166.264.868.900111.5C267 Q281 L282 T283 M288 R289 V310 C313 V326 A327C267-M285 HydrophobicContact CB-CE 3.93Å; C267-M285 PolarHBondContact SG-N 3.3Å; C267-M285 VanDerWaalsContact SG-N 3.42Å; Q281-M285 WeakPolarHBondContact O-CB 3.43Å; Q281-M285 PolarHBondContact O-N 3.32Å; L282-M285 PolarHBondContact O-N 3.31Å; T283-M285 PolarHBondContact O-N 3.12Å; M285-M288 PolarHBondContact O-N 3.25Å; M285-R289 PolarHBondContact O-N 3.03Å; M285-V310 HydrophobicContact CE-CG2 4.45Å; M285-V310 HydrophobicContact SD-CG2 3.86Å; M285-C313 HydrophobicContact CE-CB 4.33Å; M285-V326 HydrophobicContact CB-CG1 4.2Å; M285-V326 HydrophobicContact CG-CB 4.02Å; M285-V326 HydrophobicContact CG-CG1 3.69Å; M285-V326 VanDerWaalsContact O-CG1 3.3Å; M285-V326 WeakPolarHBondContact O-CG1 3.4Å; M285-A327 HydrophobicContact CE-CB 4.38Å; M285-A327 HydrophobicContact CG-CB 4.4Å; M285-A327 HydrophobicContact SD-CB 4.15Å
286T96Very high92.5Very high33 Ų3324.6 Ų24.620%0.20213%0.13CC..Hα-helixtrans-65.6-44.6174.9-60.70000111L282 T283 A284 R289 E290L282-T286 WeakPolarHBondContact O-CB 3.45Å; L282-T286 PolarHBondContact O-N 3.31Å; L282-T286 PolarHBondContact O-OG1 2.68Å; T283-T286 WeakPolarHBondContact O-CB 3.3Å; T283-T286 PolarHBondContact O-N 3.3Å; A284-T286 VanDerWaalsContact C-N 3.3Å; A284-T286 PolarHBondContact O-N 3.28Å; T286-R289 WeakPolarHBondContact O-CB 3.14Å; T286-R289 PolarHBondContact O-N 3.09Å; T286-E290 WeakPolarHBondContact O-CG 3.46Å; T286-E290 PolarHBondContact O-N 3.14Å
287W96.8Very high92.9Very high5 Ų527.4 Ų27.42%0.01914%0.139CC..Hα-helixtrans-60.5-45.5173.2-8560.2000111.9L214 L218 L240 F243 L244 I247 L263 T283 A284 R289 E290 F291L214-W287 HydrophobicContact CD2-CH2 3.98Å; L214-W287 HydrophobicContact CD2-CZ3 4Å; L218-W287 HydrophobicContact CD1-CE3 4.39Å; L218-W287 HydrophobicContact CD1-CH2 3.9Å; L218-W287 HydrophobicContact CD1-CZ3 3.82Å; L218-W287 HydrophobicContact CD2-CZ3 4.41Å; L240-W287 HydrophobicContact CB-CZ2 4.01Å; L240-W287 HydrophobicContact CD2-CH2 4.23Å; L240-W287 HydrophobicContact CD2-CZ2 3.7Å; L240-W287 HydrophobicContact CG-CZ2 4.49Å; L240-W287 WeakPolarHBondContact O-CZ2 3.49Å; F243-W287 HydrophobicContact CB-CH2 3.86Å; F243-W287 HydrophobicContact CB-CZ2 4.22Å; L244-W287 HydrophobicContact CB-CZ2 4.03Å; L244-W287 HydrophobicContact CD1-CD2 4.05Å; L244-W287 HydrophobicContact CD1-CE3 4.41Å; L244-W287 HydrophobicContact CD1-CG 4.23Å; L244-W287 HydrophobicContact CD2-CG 4.49Å; I247-W287 HydrophobicContact CD1-CE3 4.46Å; I247-W287 HydrophobicContact CD1-CH2 4.11Å; I247-W287 HydrophobicContact CD1-CZ3 3.71Å; L263-W287 HydrophobicContact CD1-CB 4.06Å; L263-W287 HydrophobicContact CD2-CB 3.75Å; L263-W287 HydrophobicContact CD2-CE3 4.31Å; L263-W287 HydrophobicContact CD2-CG 4.36Å; T283-W287 VanDerWaalsContact O-CD1 3.23Å; T283-W287 PolarHBondContact O-N 3.09Å; A284-W287 WeakPolarHBondContact O-CB 3.5Å; A284-W287 PolarHBondContact O-N 3.25Å; W287-R289 VanDerWaalsContact C-N 3.28Å; W287-R289 PolarHBondContact O-N 3.16Å; W287-E290 PolarHBondContact O-N 3.29Å; W287-E290 VanDerWaalsContact O-N 3.13Å; W287-F291 AromaticContact CE3-CE1 3.74Å; W287-F291 HydrophobicContact CE3-CE1 3.74Å; W287-F291 AromaticContact CE3-CZ 3.99Å; W287-F291 HydrophobicContact CE3-CZ 3.99Å; W287-F291 HydrophobicContact CZ3-CE1 4.21Å; W287-F291 HydrophobicContact CZ3-CZ 4.26Å; W287-F291 WeakPolarHBondContact O-CD1 3.4Å; W287-F291 PolarHBondContact O-N 3.43Å
288M96.2Very high93.2Very high3 Ų329.9 Ų29.92%0.01516%0.155CC..Hα-helixtrans-57.4-41.9177.4-171.959.676.700111.7L263 V264 A284 M285 E290 F291 I292 I306L263-M288 HydrophobicContact CB-CE 3.46Å; L263-M288 VanDerWaalsContact CB-CE 3.46Å; L263-M288 HydrophobicContact CD1-CE 4.4Å; V264-M288 HydrophobicContact CG2-CE 3.71Å; A284-M288 WeakPolarHBondContact O-CB 3.47Å; A284-M288 PolarHBondContact O-N 3.12Å; M285-M288 PolarHBondContact O-N 3.25Å; M288-E290 PolarHBondContact O-N 3.35Å; M288-F291 PolarHBondContact O-N 3Å; M288-I292 HydrophobicContact CG-CD1 4.03Å; M288-I292 WeakPolarHBondContact O-CD1 3.49Å; M288-I292 VanDerWaalsContact O-CG1 3.26Å; M288-I292 WeakPolarHBondContact O-CG1 3.25Å; M288-I292 PolarHBondContact O-N 3.28Å; M288-I292 HydrophobicContact SD-CD1 4.49Å; M288-I306 HydrophobicContact CE-CG1 4.03Å; M288-I306 HydrophobicContact CG-CG2 4.17Å; M288-I306 HydrophobicContact SD-CD1 3.92Å; M288-I306 HydrophobicContact SD-CG1 3.77Å; M288-I306 HydrophobicContact SD-CG2 4.2Å
289R95.8Very high93.3Very high57 Ų5727.7 Ų27.722%0.21514%0.143CC..Hα-helixtrans-57.4-49.1175-172.5-172.365.8-137.9-2.3112M285 T286 W287 F291 Q293 V326 A329 C330M285-R289 PolarHBondContact O-N 3.03Å; T286-R289 WeakPolarHBondContact O-CB 3.14Å; T286-R289 PolarHBondContact O-N 3.09Å; W287-R289 VanDerWaalsContact C-N 3.28Å; W287-R289 PolarHBondContact O-N 3.16Å; R289-F291 VanDerWaalsContact C-N 3.35Å; R289-Q293 WeakPolarHBondContact O-CG 3.45Å; R289-Q293 PolarHBondContact O-N 2.97Å; R289-V326 HydrophobicContact CB-CG1 4.02Å; R289-A329 HydrophobicContact CG-CB 4.31Å; R289-C330 WeakPolarHBondContact CA-SG 3.38Å; R289-C330 WeakPolarHBondContact CB-SG 3.29Å; R289-C330 PolarHBondContact N-SG 2.65Å
290E95.7Very high93.3Very high17 Ų1725.8 Ų25.88%0.07913%0.133CC..Hα-helixtrans-67.3-38.2-179.5-58.2-61.3155.700111L244 K248 T286 W287 M288 I292 Q293 L294L244-E290 HydrophobicContact CD1-CB 4.02Å; L244-E290 HydrophobicContact CD1-CG 4.12Å; L244-E290 HydrophobicContact CD2-CG 4.29Å; K248-E290 WeakPolarHBondContact CE-OE2 3.29Å; K248-E290 IonicContact NZ-OE1 3.68Å; K248-E290 PolarHBondContact NZ-OE1 2.77Å; K248-E290 VanDerWaalsContact NZ-OE1 3.17Å; K248-E290 IonicContact NZ-OE2 2.74Å; K248-E290 PolarHBondContact NZ-OE2 2.95Å; T286-E290 WeakPolarHBondContact O-CG 3.46Å; T286-E290 PolarHBondContact O-N 3.14Å; W287-E290 PolarHBondContact O-N 3.29Å; W287-E290 VanDerWaalsContact O-N 3.13Å; M288-E290 PolarHBondContact O-N 3.35Å; E290-I292 PolarHBondContact O-N 3.33Å; E290-Q293 PolarHBondContact O-N 3.47Å; E290-L294 WeakPolarHBondContact O-CB 3.32Å; E290-L294 VanDerWaalsContact O-CG 3.26Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 2.96Å
291F94.1Very high93.2Very high3 Ų327.7 Ų27.71%0.01315%0.146CC..Hα-helixtrans-60.4-47.3176.5-87.635.8000111.5I247 F256 M259 L263 W287 M288 R289 Q293 L294 A295I247-F291 HydrophobicContact CD1-CE1 4.02Å; I247-F291 HydrophobicContact CD1-CZ 4.36Å; I247-F291 HydrophobicContact CG2-CE1 4.38Å; F256-F291 HydrophobicContact CB-CD2 4.49Å; F256-F291 HydrophobicContact CD1-CB 4.24Å; F256-F291 AromaticContact CD1-CD1 3.92Å; F256-F291 HydrophobicContact CD1-CD1 3.92Å; F256-F291 AromaticContact CD1-CD2 3.57Å; F256-F291 HydrophobicContact CD1-CD2 3.57Å; F256-F291 HydrophobicContact CD1-CE1 4.09Å; F256-F291 AromaticContact CD1-CE2 3.75Å; F256-F291 HydrophobicContact CD1-CE2 3.75Å; F256-F291 AromaticContact CD1-CG 3.65Å; F256-F291 HydrophobicContact CD1-CG 3.65Å; F256-F291 HydrophobicContact CD1-CZ 4.01Å; F256-F291 AromaticContact CE1-CD1 3.85Å; F256-F291 HydrophobicContact CE1-CD1 3.85Å; F256-F291 HydrophobicContact CE1-CD2 4.34Å; F256-F291 HydrophobicContact CE1-CE1 4.05Å; F256-F291 AromaticContact CE1-CG 4Å; F256-F291 HydrophobicContact CE1-CG 4Å; F256-F291 HydrophobicContact CE1-CZ 4.37Å; M259-F291 HydrophobicContact CB-CE2 3.69Å; M259-F291 HydrophobicContact CB-CZ 4.2Å; M259-F291 HydrophobicContact CE-CE2 3.98Å; M259-F291 HydrophobicContact CE-CZ 3.61Å; M259-F291 HydrophobicContact SD-CE2 4.49Å; M259-F291 HydrophobicContact SD-CZ 4.08Å; L263-F291 HydrophobicContact CD1-CD1 4.29Å; L263-F291 HydrophobicContact CD1-CD2 3.47Å; L263-F291 VanDerWaalsContact CD1-CD2 3.47Å; L263-F291 HydrophobicContact CD1-CE1 4.33Å; L263-F291 HydrophobicContact CD1-CE2 3.52Å; L263-F291 HydrophobicContact CD1-CG 3.9Å; L263-F291 HydrophobicContact CD1-CZ 3.97Å; W287-F291 AromaticContact CE3-CE1 3.74Å; W287-F291 HydrophobicContact CE3-CE1 3.74Å; W287-F291 AromaticContact CE3-CZ 3.99Å; W287-F291 HydrophobicContact CE3-CZ 3.99Å; W287-F291 HydrophobicContact CZ3-CE1 4.21Å; W287-F291 HydrophobicContact CZ3-CZ 4.26Å; W287-F291 WeakPolarHBondContact O-CD1 3.4Å; W287-F291 PolarHBondContact O-N 3.43Å; M288-F291 PolarHBondContact O-N 3Å; R289-F291 VanDerWaalsContact C-N 3.35Å; F291-Q293 VanDerWaalsContact C-N 3.26Å; F291-Q293 PolarHBondContact O-N 2.77Å; F291-L294 PolarHBondContact O-N 3.02Å; F291-A295 WeakPolarHBondContact O-CB 3.5Å; F291-A295 PolarHBondContact O-N 2.87Å
292I93.8Very high93.1Very high2 Ų230.6 Ų30.61%0.0116%0.158CC..Hα-helixtrans-60.2-38.9176.8-64.3162.5000110.9M288 E290 G296 V299 I306 C330 L334 L337M288-I292 HydrophobicContact CG-CD1 4.03Å; M288-I292 WeakPolarHBondContact O-CD1 3.49Å; M288-I292 VanDerWaalsContact O-CG1 3.26Å; M288-I292 WeakPolarHBondContact O-CG1 3.25Å; M288-I292 PolarHBondContact O-N 3.28Å; M288-I292 HydrophobicContact SD-CD1 4.49Å; E290-I292 PolarHBondContact O-N 3.33Å; I292-G296 PolarHBondContact O-N 2.89Å; I292-V299 HydrophobicContact CG1-CG2 4.47Å; I292-I306 HydrophobicContact CD1-CG2 4.04Å; I292-I306 HydrophobicContact CG1-CD1 4.5Å; I292-C330 HydrophobicContact CD1-CB 3.93Å; I292-L334 HydrophobicContact CD1-CB 4.45Å; I292-L334 HydrophobicContact CG2-CB 4.35Å; I292-L337 HydrophobicContact CG2-CD1 3.83Å
293Q93.2Very high93.1Very high108 Ų10828.6 Ų28.651%0.50515%0.147SC..Hα-helixtrans-71.4-40.8179.5-71.9179.53.500113.2R289 E290 F291R289-Q293 WeakPolarHBondContact O-CG 3.45Å; R289-Q293 PolarHBondContact O-N 2.97Å; E290-Q293 PolarHBondContact O-N 3.47Å; F291-Q293 VanDerWaalsContact C-N 3.26Å; F291-Q293 PolarHBondContact O-N 2.77Å
294L93.6Very high93.1Very high57 Ų5728.6 Ų28.630%0.29815%0.148SC..Hα-helixtrans-84.5-44.5-174-66172.4000112.5I247 K248 P251 F256 E290 F291 G296I247-L294 HydrophobicContact CG2-CD1 3.74Å; K248-L294 HydrophobicContact CG-CD1 3.99Å; P251-L294 HydrophobicContact CB-CB 4.32Å; P251-L294 HydrophobicContact CB-CD2 4.39Å; F256-L294 HydrophobicContact CE1-CB 4.26Å; F256-L294 HydrophobicContact CZ-CB 3.8Å; E290-L294 WeakPolarHBondContact O-CB 3.32Å; E290-L294 VanDerWaalsContact O-CG 3.26Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 2.96Å; F291-L294 PolarHBondContact O-N 3.02Å; L294-G296 VanDerWaalsContact C-N 3.29Å
295A90.1Very high92.9Very high12 Ų1229.5 Ų29.510%0.09916%0.157CC..Hα-helixtrans-77.4-19.1-178.100000112.3F256 F291 R297 V298 V299F256-A295 HydrophobicContact CB-CB 3.96Å; F256-A295 HydrophobicContact CD1-CB 3.96Å; F256-A295 HydrophobicContact CD2-CB 3.5Å; F256-A295 HydrophobicContact CE1-CB 4.31Å; F256-A295 HydrophobicContact CE2-CB 3.87Å; F256-A295 HydrophobicContact CG-CB 3.54Å; F256-A295 HydrophobicContact CZ-CB 4.27Å; F291-A295 WeakPolarHBondContact O-CB 3.5Å; F291-A295 PolarHBondContact O-N 2.87Å; A295-R297 PolarHBondContact O-N 3.06Å; A295-V298 HydrophobicContact CB-CB 4.3Å; A295-V298 WeakPolarHBondContact O-CB 3.34Å; A295-V298 WeakPolarHBondContact O-CG2 3.18Å; A295-V298 PolarHBondContact O-N 3.29Å; A295-V298 VanDerWaalsContact O-N 3.14Å; A295-V299 HydrophobicContact CB-CG1 3.58Å
296G89.8Confident92.9Very high18 Ų1829.6 Ų29.619%0.18616%0.158CC..G310 helixtrans53.6-129.2179.300000111I292 L294 V298 V299 L337I292-G296 PolarHBondContact O-N 2.89Å; L294-G296 VanDerWaalsContact C-N 3.29Å; G296-V298 PolarHBondContact O-N 3.48Å; G296-V298 VanDerWaalsContact O-N 3.08Å; G296-V299 VanDerWaalsContact O-CG2 3.29Å; G296-V299 WeakPolarHBondContact O-CG2 3.34Å; G296-V299 PolarHBondContact O-N 2.99Å; G296-L337 VanDerWaalsContact O-CD1 3.3Å; G296-L337 WeakPolarHBondContact O-CD1 3.35Å
297R89.4Confident92.9Very high73 Ų7328 Ų2828%0.27515%0.148SC..G310 helixtrans-60.3-21.5-177.3-74.3-171.9174.7-100.514.9114.8A295 V299 L300 T339 E341 D342 V377A295-R297 PolarHBondContact O-N 3.06Å; R297-V299 PolarHBondContact O-N 3.44Å; R297-L300 HydrophobicContact CB-CD1 4.16Å; R297-L300 HydrophobicContact CG-CD1 4.1Å; R297-L300 WeakPolarHBondContact O-CB 3.42Å; R297-L300 VanDerWaalsContact O-CG 3.25Å; R297-L300 WeakPolarHBondContact O-CG 3.39Å; R297-L300 PolarHBondContact O-N 2.99Å; R297-T339 PolarHBondContact NH2-OG1 3.37Å; R297-E341 IonicContact CZ-OE2 3.84Å; R297-E341 IonicContact NH2-OE2 2.7Å; R297-E341 PolarHBondContact NH2-OE2 3.03Å; R297-D342 IonicContact CZ-OD2 2.8Å; R297-D342 VanDerWaalsContact NH1-CG 3.3Å; R297-D342 IonicContact NH1-OD1 3.53Å; R297-D342 PolarHBondContact NH1-OD1 3.06Å; R297-D342 IonicContact NH1-OD2 2.84Å; R297-D342 PolarHBondContact NH1-OD2 2.88Å; R297-D342 IonicContact NH2-OD2 2.75Å; R297-V377 WeakPolarHBondContact O-CG1 3.42Å
298V88.6Confident92.8Very high67 Ų6729.9 Ų29.941%0.40616%0.161SC..G310 helixtrans-58.8-22.5179.8-179.70000112.5A295 G296 P301A295-V298 HydrophobicContact CB-CB 4.3Å; A295-V298 WeakPolarHBondContact O-CB 3.34Å; A295-V298 WeakPolarHBondContact O-CG2 3.18Å; A295-V298 PolarHBondContact O-N 3.29Å; A295-V298 VanDerWaalsContact O-N 3.14Å; G296-V298 PolarHBondContact O-N 3.48Å; G296-V298 VanDerWaalsContact O-N 3.08Å; V298-P301 WeakPolarHBondContact O-CD 3.29Å
299V89.4Confident92.7Very high9 Ų929.9 Ų29.96%0.05516%0.161CC..G310 helixtrans-80.1-13.2177.6-49.30000114.3I292 A295 G296 R297 P301 Y302 S303 I306 L334 L337I292-V299 HydrophobicContact CG1-CG2 4.47Å; A295-V299 HydrophobicContact CB-CG1 3.58Å; G296-V299 VanDerWaalsContact O-CG2 3.29Å; G296-V299 WeakPolarHBondContact O-CG2 3.34Å; G296-V299 PolarHBondContact O-N 2.99Å; R297-V299 PolarHBondContact O-N 3.44Å; V299-P301 VanDerWaalsContact C-N 3.35Å; V299-Y302 PolarHBondContact O-N 2.94Å; V299-S303 PolarHBondContact O-N 3.47Å; V299-I306 HydrophobicContact CB-CD1 4.28Å; V299-L334 HydrophobicContact CG2-CD1 3.86Å; V299-L337 HydrophobicContact CG2-CD1 3.54Å
300L90.4Very high92.6Very high0 Ų027.2 Ų27.20%015%0.151CC..G310 helixtrans-56.3-37.1-172.2-67.9180000114.6R297 Y302 S303 L337 V338 V377 L379R297-L300 HydrophobicContact CB-CD1 4.16Å; R297-L300 HydrophobicContact CG-CD1 4.1Å; R297-L300 WeakPolarHBondContact O-CB 3.42Å; R297-L300 VanDerWaalsContact O-CG 3.25Å; R297-L300 WeakPolarHBondContact O-CG 3.39Å; R297-L300 PolarHBondContact O-N 2.99Å; L300-Y302 PolarHBondContact O-N 3.35Å; L300-S303 WeakPolarHBondContact CA-OG 3.39Å; L300-S303 VanDerWaalsContact O-CB 3.29Å; L300-S303 WeakPolarHBondContact O-CB 3.29Å; L300-S303 PolarHBondContact O-N 3.02Å; L300-S303 PolarHBondContact O-OG 3.42Å; L300-L337 HydrophobicContact CD2-CB 3.77Å; L300-V338 HydrophobicContact CD2-CG2 4.46Å; L300-V377 HydrophobicContact CB-CG1 4.11Å; L300-L379 HydrophobicContact CB-CD1 4.21Å; L300-L379 HydrophobicContact CD2-CD1 3.92Å; L300-L379 HydrophobicContact CG-CD1 4.46Å
301P91.1Very high92.6Very high50 Ų5026.4 Ų26.433%0.32515%0.147SC..G310 helixtrans-63.8-20.4175.5-23.135.1000113.9V298 V299 V377V298-P301 WeakPolarHBondContact O-CD 3.29Å; V299-P301 VanDerWaalsContact C-N 3.35Å; P301-V377 HydrophobicContact CG-CG1 3.85Å
302Y91.4Very high92.5Very high63 Ų6328.5 Ų28.525%0.24716%0.161CC..G310 helixtrans-99.32.9-179.3-53-81.7000112.6A257 A260 V299 L300 S304 G305 I306A257-Y302 HydrophobicContact CB-CE2 3.98Å; A257-Y302 WeakPolarHBondContact CB-OH 3.35Å; A260-Y302 HydrophobicContact CB-CD1 3.9Å; A260-Y302 HydrophobicContact CB-CD2 4.14Å; A260-Y302 HydrophobicContact CB-CE1 4.39Å; A260-Y302 HydrophobicContact CB-CG 3.77Å; V299-Y302 PolarHBondContact O-N 2.94Å; L300-Y302 PolarHBondContact O-N 3.35Å; Y302-S304 VanDerWaalsContact C-N 3.27Å; Y302-S304 PolarHBondContact O-N 2.94Å; Y302-G305 PolarHBondContact O-N 3.08Å; Y302-G305 VanDerWaalsContact O-N 3.14Å; Y302-I306 WeakPolarHBondContact O-CG1 3.37Å; Y302-I306 PolarHBondContact O-N 3.29Å
303S93.1Very high92.4Very high1 Ų128.5 Ų28.51%0.00716%0.161CC..Hα-helixtrans-55.8-39-173.4-61.60000113.1V299 L300 I306 L307V299-S303 PolarHBondContact O-N 3.47Å; L300-S303 WeakPolarHBondContact CA-OG 3.39Å; L300-S303 VanDerWaalsContact O-CB 3.29Å; L300-S303 WeakPolarHBondContact O-CB 3.29Å; L300-S303 PolarHBondContact O-N 3.02Å; L300-S303 PolarHBondContact O-OG 3.42Å; S303-I306 PolarHBondContact O-N 3.01Å; S303-L307 WeakPolarHBondContact O-CB 3.33Å; S303-L307 VanDerWaalsContact O-CG 3.26Å; S303-L307 WeakPolarHBondContact O-CG 3.14Å; S303-L307 PolarHBondContact O-N 3.36Å
304S94.2Very high92.4Very high22 Ų2224.1 Ų24.115%0.15414%0.141CC..Hα-helixtrans-62-46.5178.755.10000112Y302 L307 T308 D380Y302-S304 VanDerWaalsContact C-N 3.27Å; Y302-S304 PolarHBondContact O-N 2.94Å; S304-L307 PolarHBondContact O-N 3.41Å; S304-T308 PolarHBondContact O-N 3.05Å; S304-T308 PolarHBondContact O-OG1 3.17Å; S304-D380 WeakPolarHBondContact CB-OD2 3.29Å; S304-D380 PolarHBondContact OG-OD2 2.74Å
305G94Very high92.2Very high19 Ų1923.3 Ų23.320%0.19614%0.14CC..Hα-helixtrans-62.8-44.6173.600000112.6V264 Y302 T308 A309V264-G305 WeakPolarHBondContact CG1-O 3.43Å; Y302-G305 PolarHBondContact O-N 3.08Å; Y302-G305 VanDerWaalsContact O-N 3.14Å; G305-T308 WeakPolarHBondContact O-CB 3.43Å; G305-T308 PolarHBondContact O-N 3.46Å; G305-A309 PolarHBondContact O-N 3.23Å
306I94.9Very high92.2Very high2 Ų225 Ų251%0.0114%0.144CC..Hα-helixtrans-61.4-46.9177.7-63.5170000110.6V264 M288 I292 V299 Y302 S303 T308 A309 V310 L334V264-I306 HydrophobicContact CG2-CG1 4.13Å; M288-I306 HydrophobicContact CE-CG1 4.03Å; M288-I306 HydrophobicContact CG-CG2 4.17Å; M288-I306 HydrophobicContact SD-CD1 3.92Å; M288-I306 HydrophobicContact SD-CG1 3.77Å; M288-I306 HydrophobicContact SD-CG2 4.2Å; I292-I306 HydrophobicContact CD1-CG2 4.04Å; I292-I306 HydrophobicContact CG1-CD1 4.5Å; V299-I306 HydrophobicContact CB-CD1 4.28Å; Y302-I306 WeakPolarHBondContact O-CG1 3.37Å; Y302-I306 PolarHBondContact O-N 3.29Å; S303-I306 PolarHBondContact O-N 3.01Å; I306-T308 VanDerWaalsContact C-N 3.32Å; I306-T308 PolarHBondContact O-N 3.36Å; I306-A309 PolarHBondContact O-N 3.48Å; I306-A309 VanDerWaalsContact O-N 3.11Å; I306-V310 HydrophobicContact CG2-CG2 3.87Å; I306-V310 WeakPolarHBondContact O-CB 3.24Å; I306-V310 VanDerWaalsContact O-CG2 3.25Å; I306-V310 WeakPolarHBondContact O-CG2 3.02Å; I306-V310 PolarHBondContact O-N 2.76Å; I306-L334 HydrophobicContact CB-CD2 4.25Å; I306-L334 HydrophobicContact CG2-CD2 3.9Å
307L95.8Very high92Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-63.4-37.7178.5-73.8177.1000112.3S303 S304 A309 V310 L311 L334 I384 V387 W408S303-L307 WeakPolarHBondContact O-CB 3.33Å; S303-L307 VanDerWaalsContact O-CG 3.26Å; S303-L307 WeakPolarHBondContact O-CG 3.14Å; S303-L307 PolarHBondContact O-N 3.36Å; S304-L307 PolarHBondContact O-N 3.41Å; L307-A309 PolarHBondContact O-N 3.27Å; L307-V310 PolarHBondContact O-N 2.97Å; L307-L311 HydrophobicContact CB-CD1 4.01Å; L307-L311 HydrophobicContact CB-CG 4.32Å; L307-L311 HydrophobicContact CD2-CD1 4.28Å; L307-L311 HydrophobicContact CD2-CD2 4.35Å; L307-L311 HydrophobicContact CD2-CG 4.11Å; L307-L311 VanDerWaalsContact O-CB 3.29Å; L307-L311 WeakPolarHBondContact O-CB 3.25Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 3.48Å; L307-L334 HydrophobicContact CD2-CD2 3.89Å; L307-L334 HydrophobicContact CG-CD2 3.9Å; L307-I384 HydrophobicContact CD1-CB 4.43Å; L307-I384 HydrophobicContact CD1-CG1 4.15Å; L307-I384 HydrophobicContact CD1-CG2 3.78Å; L307-V387 HydrophobicContact CB-CG1 4.18Å; L307-W408 HydrophobicContact CD1-CD2 4.43Å; L307-W408 HydrophobicContact CD1-CZ2 4.37Å; L307-W408 HydrophobicContact CD2-CD2 4.49Å; L307-W408 HydrophobicContact CD2-CZ2 3.7Å
308T94.3Very high91.7Very high45 Ų4533.3 Ų33.328%0.27619%0.19SC..Hα-helixtrans-58.1-35.6174.5-56.50000111.5S304 G305 I306 P312 V387S304-T308 PolarHBondContact O-N 3.05Å; S304-T308 PolarHBondContact O-OG1 3.17Å; G305-T308 WeakPolarHBondContact O-CB 3.43Å; G305-T308 PolarHBondContact O-N 3.46Å; I306-T308 VanDerWaalsContact C-N 3.32Å; I306-T308 PolarHBondContact O-N 3.36Å; T308-P312 WeakPolarHBondContact O-CD 3.21Å; T308-P312 WeakPolarHBondContact O-CG 3.25Å; T308-V387 VanDerWaalsContact OG1-CG2 3.25Å; T308-V387 WeakPolarHBondContact OG1-CG2 3.4Å
309A93.4Very high91.4Very high3 Ų341.8 Ų41.83%0.02522%0.215CC..Hα-helixtrans-82-39.9176.400000113.8V264 C267 Q268 G305 I306 L307 C313V264-A309 HydrophobicContact CG1-CB 4.35Å; C267-A309 HydrophobicContact CB-CB 3.68Å; Q268-A309 HydrophobicContact CG-CB 3.76Å; G305-A309 PolarHBondContact O-N 3.23Å; I306-A309 PolarHBondContact O-N 3.48Å; I306-A309 VanDerWaalsContact O-N 3.11Å; L307-A309 PolarHBondContact O-N 3.27Å; A309-C313 PolarHBondContact O-SG 3.46Å
310V95.3Very high91.2Very high1 Ų142.8 Ų42.81%0.00622%0.219CC..Hα-helixtrans-80.6-43.7-170.1170.70000112.5M285 I306 L307 C313 A327 C330 N331M285-V310 HydrophobicContact CE-CG2 4.45Å; M285-V310 HydrophobicContact SD-CG2 3.86Å; I306-V310 HydrophobicContact CG2-CG2 3.87Å; I306-V310 WeakPolarHBondContact O-CB 3.24Å; I306-V310 VanDerWaalsContact O-CG2 3.25Å; I306-V310 WeakPolarHBondContact O-CG2 3.02Å; I306-V310 PolarHBondContact O-N 2.76Å; L307-V310 PolarHBondContact O-N 2.97Å; V310-C313 WeakPolarHBondContact O-CB 3.4Å; V310-C313 PolarHBondContact O-N 2.91Å; V310-C313 VanDerWaalsContact O-N 3.16Å; V310-A327 HydrophobicContact CG1-CB 4.18Å; V310-A327 WeakPolarHBondContact CG1-O 3.34Å; V310-C330 HydrophobicContact CG1-CB 4.14Å; V310-C330 HydrophobicContact CG2-CB 3.91Å; V310-N331 HydrophobicContact CG1-CB 3.89Å
311L94.7Very high91.2Very high0 Ų047.9 Ų47.90%024%0.241CC..G310 helixtrans-61.3-43.7-171.4-71.9174.6000114.1L307 C313 L314 V387 L388 T401 A404 V405L307-L311 HydrophobicContact CB-CD1 4.01Å; L307-L311 HydrophobicContact CB-CG 4.32Å; L307-L311 HydrophobicContact CD2-CD1 4.28Å; L307-L311 HydrophobicContact CD2-CD2 4.35Å; L307-L311 HydrophobicContact CD2-CG 4.11Å; L307-L311 VanDerWaalsContact O-CB 3.29Å; L307-L311 WeakPolarHBondContact O-CB 3.25Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 3.48Å; L311-C313 PolarHBondContact O-N 2.9Å; L311-L314 HydrophobicContact CD2-CD1 3.99Å; L311-L314 WeakPolarHBondContact O-CB 3.33Å; L311-L314 PolarHBondContact O-N 3.44Å; L311-V387 HydrophobicContact CD1-CG1 4.3Å; L311-L388 HydrophobicContact CD1-CD2 3.85Å; L311-T401 HydrophobicContact CB-CG2 3.97Å; L311-T401 VanDerWaalsContact O-CG2 3.26Å; L311-T401 WeakPolarHBondContact O-CG2 3.13Å; L311-T401 PolarHBondContact O-OG1 3.06Å; L311-A404 HydrophobicContact CD2-CB 4.08Å; L311-V405 HydrophobicContact CD1-CG2 3.96Å; L311-V405 HydrophobicContact CD2-CG2 4.45Å
312P92.3Very high91.2Very high47 Ų4750.3 Ų50.331%0.30525%0.251SS..G310 helixtrans-61.1-30.4176.6-22.733.4000113.4T308 L314 S315T308-P312 WeakPolarHBondContact O-CD 3.21Å; T308-P312 WeakPolarHBondContact O-CG 3.25Å; P312-L314 PolarHBondContact O-N 3.19Å; P312-S315 PolarHBondContact O-N 3.47Å; P312-S315 PolarHBondContact O-OG 3.47Å; P312-S315 VanDerWaalsContact O-OG 3.09Å
313C92Very high91.2Very high2 Ų247.6 Ų47.61%0.01424%0.241CC..G310 helixtrans-71.9-14.8-177.7-60.90000113.1M285 A309 V310 L311 S315 Y316 T323 A327M285-C313 HydrophobicContact CE-CB 4.33Å; A309-C313 PolarHBondContact O-SG 3.46Å; V310-C313 WeakPolarHBondContact O-CB 3.4Å; V310-C313 PolarHBondContact O-N 2.91Å; V310-C313 VanDerWaalsContact O-N 3.16Å; L311-C313 PolarHBondContact O-N 2.9Å; C313-S315 VanDerWaalsContact C-N 3.31Å; C313-S315 PolarHBondContact O-N 3.38Å; C313-Y316 HydrophobicContact CB-CD2 4.01Å; C313-Y316 HydrophobicContact CB-CE2 3.75Å; C313-Y316 PolarHBondContact O-N 3.11Å; C313-T323 HydrophobicContact CB-CG2 4.48Å; C313-A327 HydrophobicContact CB-CB 3.61Å
314L92.1Very high91.2Very high15 Ų1550.6 Ų50.68%0.07925%0.254CS..G310 helixtrans-72.7-24.4-179.7-59179.7000112.9L311 P312 K324 A327 M400 A404L311-L314 HydrophobicContact CD2-CD1 3.99Å; L311-L314 WeakPolarHBondContact O-CB 3.33Å; L311-L314 PolarHBondContact O-N 3.44Å; P312-L314 PolarHBondContact O-N 3.19Å; L314-K324 VanDerWaalsContact O-CE 3.26Å; L314-K324 WeakPolarHBondContact O-CE 3.26Å; L314-A327 HydrophobicContact CD2-CB 4.01Å; L314-M400 WeakPolarHBondContact O-CB 3.38Å; L314-A404 HydrophobicContact CD1-CB 3.38Å
315S90.4Very high91.2Very high41 Ų4154.6 Ų54.629%0.28727%0.27SS..G310 helixtrans-926.2177.459.90000113.8P312 C313 T401P312-S315 PolarHBondContact O-N 3.47Å; P312-S315 PolarHBondContact O-OG 3.47Å; P312-S315 VanDerWaalsContact O-OG 3.09Å; C313-S315 VanDerWaalsContact C-N 3.31Å; C313-S315 PolarHBondContact O-N 3.38Å; S315-T401 PolarHBondContact OG-OG1 3.23Å
316Y88.8Confident91.3Very high46 Ų4654.4 Ų54.418%0.1827%0.265CS..  trans-62.1148.1176.5-73.2-15.4000112.9Q281 C313 K320 T323 K324Q281-Y316 PolarHBondContact NE2-OH 2.9Å; C313-Y316 HydrophobicContact CB-CD2 4.01Å; C313-Y316 HydrophobicContact CB-CE2 3.75Å; C313-Y316 PolarHBondContact O-N 3.11Å; Y316-K320 HydrophobicContact CD2-CB 3.71Å; Y316-K320 HydrophobicContact CD2-CD 3.81Å; Y316-K320 HydrophobicContact CD2-CG 4.41Å; Y316-K320 HydrophobicContact CE2-CB 4.48Å; Y316-K320 HydrophobicContact CE2-CD 3.82Å; Y316-K320 HydrophobicContact CG-CB 4.04Å; Y316-K320 HydrophobicContact CG-CD 4.19Å; Y316-T323 HydrophobicContact CD2-CG2 4.23Å; Y316-T323 HydrophobicContact CE2-CG2 3.97Å; Y316-K324 WeakPolarHBondContact O-CD 3.35Å; Y316-K324 PolarHBondContact O-NZ 3.11Å
317D85.4Confident91.3Very high126 Ų12654.3 Ų54.367%0.67427%0.265SS*.  trans-78.1175.1174.8-64.9-29.2000111.7R319 K320D317-R319 PolarHBondContact O-N 3.31Å; D317-K320 PolarHBondContact O-N 2.96Å
318D84.5Confident91.3Very high141 Ų14156.6 Ų56.675%0.75428%0.281SS*.G310 helixtrans-57-22.9-177.7-71-31.1000114.3K320 K321D318-K320 PolarHBondContact O-N 3.01Å; D318-K321 WeakPolarHBondContact O-CB 3.28Å; D318-K321 PolarHBondContact O-N 3.43Å
319R82.9Confident91.4Very high244 Ų24456 Ų5692%0.92128%0.281SS*.G310 helixtrans-60.8-33.5175-64.9-177.6-178.3-178.31.8112.8D317D317-R319 PolarHBondContact O-N 3.31Å
320K84.8Confident91.5Very high31 Ų3155.9 Ų55.914%0.13528%0.279CS..G310 helixtrans-113.232.9179-64.3-170.6175.9-158.80111.6D278 Y316 D317 D318 N322 T323 K324D278-K320 WeakPolarHBondContact OD1-CE 3.39Å; D278-K320 IonicContact OD1-NZ 2.65Å; D278-K320 PolarHBondContact OD1-NZ 2.92Å; Y316-K320 HydrophobicContact CD2-CB 3.71Å; Y316-K320 HydrophobicContact CD2-CD 3.81Å; Y316-K320 HydrophobicContact CD2-CG 4.41Å; Y316-K320 HydrophobicContact CE2-CB 4.48Å; Y316-K320 HydrophobicContact CE2-CD 3.82Å; Y316-K320 HydrophobicContact CG-CB 4.04Å; Y316-K320 HydrophobicContact CG-CD 4.19Å; D317-K320 PolarHBondContact O-N 2.96Å; D318-K320 PolarHBondContact O-N 3.01Å; K320-N322 VanDerWaalsContact C-N 3.33Å; K320-N322 PolarHBondContact O-N 3.31Å; K320-T323 PolarHBondContact O-N 2.88Å; K320-K324 PolarHBondContact O-N 3.44Å
321K89.4Confident91.6Very high107 Ų10756.3 Ų56.347%0.46528%0.282SS..Hα-helixtrans-53.3-45-177.9179174.2173.1177.60113.3D318 T323 K324 E325D318-K321 WeakPolarHBondContact O-CB 3.28Å; D318-K321 PolarHBondContact O-N 3.43Å; K321-T323 PolarHBondContact O-N 3.19Å; K321-K324 WeakPolarHBondContact O-CB 3.45Å; K321-K324 PolarHBondContact O-N 2.98Å; K321-E325 WeakPolarHBondContact CE-OE1 3.32Å; K321-E325 HydrophobicContact CG-CG 4.41Å; K321-E325 IonicContact NZ-OE1 3.81Å; K321-E325 WeakPolarHBondContact O-CG 3.48Å; K321-E325 PolarHBondContact O-N 3.27Å
322N90.9Very high91.7Very high100 Ų10059.6 Ų59.654%0.53530%0.299SS..Hα-helixtrans-59.8-48.4179.7-64.5-10.6000111.1L282 K320 K324 E325 V326L282-N322 HydrophobicContact CD1-CB 3.97Å; L282-N322 HydrophobicContact CD2-CB 4.15Å; K320-N322 VanDerWaalsContact C-N 3.33Å; K320-N322 PolarHBondContact O-N 3.31Å; N322-K324 VanDerWaalsContact C-N 3.31Å; N322-K324 PolarHBondContact O-N 3.43Å; N322-E325 PolarHBondContact O-N 3.32Å; N322-V326 WeakPolarHBondContact O-CG2 3.49Å; N322-V326 PolarHBondContact O-N 2.93Å
323T91.6Very high91.8Very high6 Ų658.6 Ų58.64%0.03729%0.293CS..Hα-helixtrans-60.7-42.1178.2-52.60000111.3Q281 C313 Y316 K320 K321 V326 A327Q281-T323 HydrophobicContact CG-CG2 3.96Å; C313-T323 HydrophobicContact CB-CG2 4.48Å; Y316-T323 HydrophobicContact CD2-CG2 4.23Å; Y316-T323 HydrophobicContact CE2-CG2 3.97Å; K320-T323 PolarHBondContact O-N 2.88Å; K321-T323 PolarHBondContact O-N 3.19Å; T323-V326 PolarHBondContact O-N 3.45Å; T323-A327 VanDerWaalsContact O-CB 3.25Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 2.87Å
324K92.9Very high92Very high64 Ų6458.5 Ų58.528%0.27829%0.293SS..Hα-helixtrans-60.7-44.2175.8179.5-177.8-172.7162.90112.9L314 Y316 K320 K321 N322 A327 S328L314-K324 VanDerWaalsContact O-CE 3.26Å; L314-K324 WeakPolarHBondContact O-CE 3.26Å; Y316-K324 WeakPolarHBondContact O-CD 3.35Å; Y316-K324 PolarHBondContact O-NZ 3.11Å; K320-K324 PolarHBondContact O-N 3.44Å; K321-K324 WeakPolarHBondContact O-CB 3.45Å; K321-K324 PolarHBondContact O-N 2.98Å; N322-K324 VanDerWaalsContact C-N 3.31Å; N322-K324 PolarHBondContact O-N 3.43Å; K324-A327 PolarHBondContact O-N 3.42Å; K324-S328 WeakPolarHBondContact O-CB 3.45Å; K324-S328 PolarHBondContact O-N 2.91Å
325E94.7Very high92.1Very high107 Ų10759.6 Ų59.650%0.530%0.298SS..Hα-helixtrans-63.8-44.4178.3-74.4177.117900111.4K321 N322 S328 A329K321-E325 WeakPolarHBondContact CE-OE1 3.32Å; K321-E325 HydrophobicContact CG-CG 4.41Å; K321-E325 IonicContact NZ-OE1 3.81Å; K321-E325 WeakPolarHBondContact O-CG 3.48Å; K321-E325 PolarHBondContact O-N 3.27Å; N322-E325 PolarHBondContact O-N 3.32Å; E325-S328 PolarHBondContact O-N 3.41Å; E325-A329 PolarHBondContact O-N 3.14Å
326V95.4Very high92.3Very high14 Ų1465.4 Ų65.49%0.08532%0.318CS..Hα-helixtrans-66-42.3176.3-175.70000111L282 M285 R289 N322 T323 S328 A329 C330L282-V326 HydrophobicContact CD1-CG2 4.23Å; M285-V326 HydrophobicContact CB-CG1 4.2Å; M285-V326 HydrophobicContact CG-CB 4.02Å; M285-V326 HydrophobicContact CG-CG1 3.69Å; M285-V326 VanDerWaalsContact O-CG1 3.3Å; M285-V326 WeakPolarHBondContact O-CG1 3.4Å; R289-V326 HydrophobicContact CB-CG1 4.02Å; N322-V326 WeakPolarHBondContact O-CG2 3.49Å; N322-V326 PolarHBondContact O-N 2.93Å; T323-V326 PolarHBondContact O-N 3.45Å; V326-S328 PolarHBondContact O-N 2.76Å; V326-A329 WeakPolarHBondContact O-CB 3.35Å; V326-A329 PolarHBondContact O-N 3.45Å; V326-C330 PolarHBondContact O-N 3.26Å; V326-C330 PolarHBondContact O-SG 3.17Å
327A95.7Very high92.6Very high0 Ų064.7 Ų64.70%032%0.317CS..Hα-helixtrans-61.4-42.2175.800000111.8M285 V310 C313 L314 T323 K324 A329 C330 N331M285-A327 HydrophobicContact CE-CB 4.38Å; M285-A327 HydrophobicContact CG-CB 4.4Å; M285-A327 HydrophobicContact SD-CB 4.15Å; V310-A327 HydrophobicContact CG1-CB 4.18Å; V310-A327 WeakPolarHBondContact CG1-O 3.34Å; C313-A327 HydrophobicContact CB-CB 3.61Å; L314-A327 HydrophobicContact CD2-CB 4.01Å; T323-A327 VanDerWaalsContact O-CB 3.25Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 2.87Å; K324-A327 PolarHBondContact O-N 3.42Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.16Å; A327-C330 WeakPolarHBondContact O-CB 3.43Å; A327-C330 PolarHBondContact O-N 2.95Å; A327-N331 WeakPolarHBondContact O-CB 3.36Å; A327-N331 PolarHBondContact O-N 2.89Å
328S95.8Very high93Very high49 Ų4958.9 Ų58.934%0.34329%0.286SS..Hα-helixtrans-60.8-42.7174.3-177.50000111.7K324 E325 V326 N331 N332K324-S328 WeakPolarHBondContact O-CB 3.45Å; K324-S328 PolarHBondContact O-N 2.91Å; E325-S328 PolarHBondContact O-N 3.41Å; V326-S328 PolarHBondContact O-N 2.76Å; S328-N331 PolarHBondContact O-N 3.13Å; S328-N332 WeakPolarHBondContact O-CB 3.3Å; S328-N332 PolarHBondContact O-N 3Å; S328-N332 PolarHBondContact O-ND2 2.91Å; S328-N332 VanDerWaalsContact O-ND2 3.08Å
329A96.4Very high93.3Very high33 Ų3353.8 Ų53.827%0.27326%0.26SS..Hα-helixtrans-63.2-43.3174.200000112.2R289 E325 V326 A327 N332 S333R289-A329 HydrophobicContact CG-CB 4.31Å; E325-A329 PolarHBondContact O-N 3.14Å; V326-A329 WeakPolarHBondContact O-CB 3.35Å; V326-A329 PolarHBondContact O-N 3.45Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.16Å; A329-N332 PolarHBondContact O-N 3.22Å; A329-S333 WeakPolarHBondContact O-CB 3.32Å; A329-S333 PolarHBondContact O-N 2.97Å; A329-S333 PolarHBondContact O-OG 2.75Å; A329-S333 VanDerWaalsContact O-OG 3.06Å
330C96.3Very high93.6Very high0 Ų045.9 Ų45.90%024%0.24CC..Hα-helixtrans-58.4-50174.9-64.80000111.2R289 I292 V310 V326 A327 N332 S333 L334R289-C330 WeakPolarHBondContact CA-SG 3.38Å; R289-C330 WeakPolarHBondContact CB-SG 3.29Å; R289-C330 PolarHBondContact N-SG 2.65Å; I292-C330 HydrophobicContact CD1-CB 3.93Å; V310-C330 HydrophobicContact CG1-CB 4.14Å; V310-C330 HydrophobicContact CG2-CB 3.91Å; V326-C330 PolarHBondContact O-N 3.26Å; V326-C330 PolarHBondContact O-SG 3.17Å; A327-C330 WeakPolarHBondContact O-CB 3.43Å; A327-C330 PolarHBondContact O-N 2.95Å; C330-N332 VanDerWaalsContact C-N 3.35Å; C330-N332 PolarHBondContact O-N 3.12Å; C330-S333 PolarHBondContact O-N 3.47Å; C330-L334 WeakPolarHBondContact O-CB 3.32Å; C330-L334 PolarHBondContact O-N 3.36Å
331N96.7Very high93.7Very high10 Ų1050.5 Ų50.55%0.05326%0.262CS..Hα-helixtrans-56-48.9179.2-176.679000111.6V310 A327 S328 L334 M335 W408V310-N331 HydrophobicContact CG1-CB 3.89Å; A327-N331 WeakPolarHBondContact O-CB 3.36Å; A327-N331 PolarHBondContact O-N 2.89Å; S328-N331 PolarHBondContact O-N 3.13Å; N331-L334 PolarHBondContact O-N 2.86Å; N331-M335 WeakPolarHBondContact O-CB 3.3Å; N331-M335 PolarHBondContact O-N 2.83Å; N331-W408 PolarHBondContact OD1-NE1 3.17Å
332N96.1Very high93.6Very high69 Ų6946.1 Ų46.137%0.36924%0.244SC..Hα-helixtrans-68.8-38-179.1-66.8-28.2000112.6S328 A329 C330 K336S328-N332 WeakPolarHBondContact O-CB 3.3Å; S328-N332 PolarHBondContact O-N 3Å; S328-N332 PolarHBondContact O-ND2 2.91Å; S328-N332 VanDerWaalsContact O-ND2 3.08Å; A329-N332 PolarHBondContact O-N 3.22Å; C330-N332 VanDerWaalsContact C-N 3.35Å; C330-N332 PolarHBondContact O-N 3.12Å; N332-K336 VanDerWaalsContact O-CG 3.3Å; N332-K336 WeakPolarHBondContact O-CG 3.41Å; N332-K336 PolarHBondContact O-N 2.65Å
333S95.9Very high93.4Very high25 Ų2542 Ų4218%0.17522%0.222CC..Hα-helixtrans-66.6-44.4175.9-67.20000111.4A329 C330 M335 K336 L337A329-S333 WeakPolarHBondContact O-CB 3.32Å; A329-S333 PolarHBondContact O-N 2.97Å; A329-S333 PolarHBondContact O-OG 2.75Å; A329-S333 VanDerWaalsContact O-OG 3.06Å; C330-S333 PolarHBondContact O-N 3.47Å; S333-M335 PolarHBondContact O-N 3.31Å; S333-K336 PolarHBondContact O-N 3.41Å; S333-L337 PolarHBondContact O-N 2.64Å
334L95.5Very high93Very high1 Ų147.9 Ų47.91%0.00525%0.249CC..Hα-helixtrans-63-43179.5-172.764.1000111.2I292 V299 I306 L307 C330 N331 K336 L337 W408I292-L334 HydrophobicContact CD1-CB 4.45Å; I292-L334 HydrophobicContact CG2-CB 4.35Å; V299-L334 HydrophobicContact CG2-CD1 3.86Å; I306-L334 HydrophobicContact CB-CD2 4.25Å; I306-L334 HydrophobicContact CG2-CD2 3.9Å; L307-L334 HydrophobicContact CD2-CD2 3.89Å; L307-L334 HydrophobicContact CG-CD2 3.9Å; C330-L334 WeakPolarHBondContact O-CB 3.32Å; C330-L334 PolarHBondContact O-N 3.36Å; N331-L334 PolarHBondContact O-N 2.86Å; L334-K336 VanDerWaalsContact C-N 3.28Å; L334-K336 PolarHBondContact O-N 2.78Å; L334-L337 HydrophobicContact CD1-CD1 4.32Å; L334-L337 WeakPolarHBondContact O-CB 3.44Å; L334-L337 PolarHBondContact O-N 3.48Å; L334-L337 VanDerWaalsContact O-N 3.11Å; L334-W408 HydrophobicContact CB-CH2 4.25Å; L334-W408 HydrophobicContact CB-CZ2 4.11Å; L334-W408 HydrophobicContact CD2-CH2 4.2Å; L334-W408 HydrophobicContact CD2-CZ2 4.1Å; L334-W408 HydrophobicContact CG-CH2 3.89Å; L334-W408 HydrophobicContact CG-CZ2 4.07Å
335M94.8Very high91.7Very high38 Ų3847.8 Ų47.819%0.18725%0.252CS..Hα-helixtrans-61.6-35.8177.7-162.9168.567.900112.3N331 S333 L337 V338 W408 H411N331-M335 WeakPolarHBondContact O-CB 3.3Å; N331-M335 PolarHBondContact O-N 2.83Å; S333-M335 PolarHBondContact O-N 3.31Å; M335-L337 PolarHBondContact O-N 2.99Å; M335-V338 PolarHBondContact O-N 3.47Å; M335-W408 HydrophobicContact CB-CH2 3.77Å; M335-W408 HydrophobicContact CB-CZ2 3.67Å; M335-W408 HydrophobicContact CB-CZ3 4.28Å; M335-W408 HydrophobicContact CG-CD2 4.33Å; M335-W408 HydrophobicContact CG-CE3 4.23Å; M335-W408 HydrophobicContact CG-CH2 4.15Å; M335-W408 HydrophobicContact CG-CZ2 4.22Å; M335-W408 HydrophobicContact CG-CZ3 4.14Å; M335-W408 HydrophobicContact SD-CD2 4.33Å; M335-H411 HydrophobicContact CG-CB 4.06Å; M335-H411 WeakPolarHBondContact CG-CD2 3.25Å; M335-H411 PolarHBondContact O-NE2 3Å; M335-H411 VanDerWaalsContact O-NE2 3.11Å; M335-H411 HydrophobicContact SD-CB 3.81Å
336K94.8Very high90.1Very high163 Ų16346.9 Ų46.971%0.70925%0.254SS*.Hα-helixtrans-67.8-18.8177.2-73.1170.7-177.5-179.80114.3N332 S333 L334 V338N332-K336 VanDerWaalsContact O-CG 3.3Å; N332-K336 WeakPolarHBondContact O-CG 3.41Å; N332-K336 PolarHBondContact O-N 2.65Å; S333-K336 PolarHBondContact O-N 3.41Å; L334-K336 VanDerWaalsContact C-N 3.28Å; L334-K336 PolarHBondContact O-N 2.78Å; K336-V338 VanDerWaalsContact C-N 3.31Å
337L93.5Very high87.9Confident31 Ų3154 Ų5416%0.16229%0.286CS..Hα-helixtrans-77.5-20.5179-63.8176.5000112.6I292 G296 V299 L300 S333 L334 M335I292-L337 HydrophobicContact CG2-CD1 3.83Å; G296-L337 VanDerWaalsContact O-CD1 3.3Å; G296-L337 WeakPolarHBondContact O-CD1 3.35Å; V299-L337 HydrophobicContact CG2-CD1 3.54Å; L300-L337 HydrophobicContact CD2-CB 3.77Å; S333-L337 PolarHBondContact O-N 2.64Å; L334-L337 HydrophobicContact CD1-CD1 4.32Å; L334-L337 WeakPolarHBondContact O-CB 3.44Å; L334-L337 PolarHBondContact O-N 3.48Å; L334-L337 VanDerWaalsContact O-N 3.11Å; M335-L337 PolarHBondContact O-N 2.99Å
338V93.4Very high85.4Confident4 Ų460.5 Ų60.52%0.02432%0.316CS..  trans-79126.6175.8-176.10000109.4L300 M335 K336 L379 W408 L412 K415 T416L300-V338 HydrophobicContact CD2-CG2 4.46Å; M335-V338 PolarHBondContact O-N 3.47Å; K336-V338 VanDerWaalsContact C-N 3.31Å; V338-L379 HydrophobicContact CG1-CD2 4.12Å; V338-L379 HydrophobicContact CG2-CD1 4.13Å; V338-L379 HydrophobicContact CG2-CD2 4.36Å; V338-W408 HydrophobicContact CG2-CZ3 4.17Å; V338-L412 HydrophobicContact CG1-CD2 4.23Å; V338-K415 HydrophobicContact CG1-CB 4Å; V338-T416 HydrophobicContact CG1-CG2 4.2Å
339T92.3Very high82.8Confident34 Ų3465.1 Ų65.121%0.20933%0.333CS..  trans-130.8173.2178.185.70000111.2R297 E341 D342R297-T339 PolarHBondContact NH2-OG1 3.37Å; T339-E341 PolarHBondContact O-N 3.3Å; T339-E341 PolarHBondContact OG1-N 3.23Å; T339-E341 PolarHBondContact OG1-OE2 3.33Å; T339-D342 PolarHBondContact N-OD2 3Å; T339-D342 WeakPolarHBondContact O-CB 3.45Å; T339-D342 PolarHBondContact O-N 2.95Å; T339-D342 VanDerWaalsContact O-N 3.13Å
340P88.5Confident80.1Confident78 Ų7874.6 Ų74.651%0.50636%0.361SS..G310 helixtrans-62.2-21.3177.8-23.436.7000115.5D342 D343 K415P340-D342 PolarHBondContact O-N 3.2Å; P340-D343 WeakPolarHBondContact O-CB 3.33Å; P340-D343 PolarHBondContact O-N 3.44Å; P340-D343 VanDerWaalsContact O-N 3.13Å; P340-K415 VanDerWaalsContact CA-O 3.32Å; P340-K415 WeakPolarHBondContact CA-O 3.27Å; P340-K415 HydrophobicContact CG-CD 3.96Å
341E86.6Confident77.3Confident127 Ų12777.7 Ų77.759%0.59339%0.393SS*.G310 helixtrans-62.9-27.6175.7-63164.6165.900111.2R297 T339 D343 E344R297-E341 IonicContact CZ-OE2 3.84Å; R297-E341 IonicContact NH2-OE2 2.7Å; R297-E341 PolarHBondContact NH2-OE2 3.03Å; T339-E341 PolarHBondContact O-N 3.3Å; T339-E341 PolarHBondContact OG1-N 3.23Å; T339-E341 PolarHBondContact OG1-OE2 3.33Å; E341-D343 PolarHBondContact O-N 2.94Å; E341-E344 PolarHBondContact O-N 3.12Å
342D87.3Confident74.7Confident15 Ų1587.6 Ų87.68%0.0843%0.429CS..G310 helixtrans-70.5-8.8178.8-60.2-63.5000112.6R297 T339 P340 L379 T416 K419R297-D342 IonicContact CZ-OD2 2.8Å; R297-D342 VanDerWaalsContact NH1-CG 3.3Å; R297-D342 IonicContact NH1-OD1 3.53Å; R297-D342 PolarHBondContact NH1-OD1 3.06Å; R297-D342 IonicContact NH1-OD2 2.84Å; R297-D342 PolarHBondContact NH1-OD2 2.88Å; R297-D342 IonicContact NH2-OD2 2.75Å; T339-D342 PolarHBondContact N-OD2 3Å; T339-D342 WeakPolarHBondContact O-CB 3.45Å; T339-D342 PolarHBondContact O-N 2.95Å; T339-D342 VanDerWaalsContact O-N 3.13Å; P340-D342 PolarHBondContact O-N 3.2Å; D342-L379 HydrophobicContact CB-CB 4.48Å; D342-L379 HydrophobicContact CB-CD2 4.27Å; D342-T416 HydrophobicContact CB-CG2 3.74Å; D342-K419 WeakPolarHBondContact O-CD 3.4Å; D342-K419 WeakPolarHBondContact O-CE 3.18Å; D342-K419 PolarHBondContact O-NZ 2.92Å
343D87.6Confident71.9Confident14 Ų1489.4 Ų89.48%0.07545%0.447CS..G310 helixtrans-86.3-12.6175.9-15233.7000113.7P340 E341 T416 P417 R418 K419P340-D343 WeakPolarHBondContact O-CB 3.33Å; P340-D343 PolarHBondContact O-N 3.44Å; P340-D343 VanDerWaalsContact O-N 3.13Å; E341-D343 PolarHBondContact O-N 2.94Å; D343-T416 HydrophobicContact CB-CG2 4.33Å; D343-T416 VanDerWaalsContact CG-C 3.45Å; D343-T416 VanDerWaalsContact CG-CA 3.44Å; D343-T416 WeakPolarHBondContact OD1-CA 3.26Å; D343-P417 WeakPolarHBondContact OD2-CD 3.4Å; D343-P417 WeakPolarHBondContact OD2-CG 3.26Å; D343-R418 WeakPolarHBondContact OD1-CB 2.99Å; D343-R418 PolarHBondContact OD1-N 3.23Å; D343-R418 WeakPolarHBondContact OD2-CB 3.44Å; D343-R418 VanDerWaalsContact OD2-CG 3.28Å; D343-R418 WeakPolarHBondContact OD2-CG 3.42Å; D343-R418 PolarHBondContact OD2-N 3.28Å; D343-K419 PolarHBondContact OD1-N 2.73Å
344E82.2Confident69.2Low130 Ų13097.2 Ų97.261%0.60748%0.483SS*.SBendtrans-71.7135.8-178.7-62.8-175.7170.200110.9E341 T346 K419E341-E344 PolarHBondContact O-N 3.12Å; E344-T346 PolarHBondContact O-N 3.46Å; E344-K419 VanDerWaalsContact O-CE 3.23Å; E344-K419 WeakPolarHBondContact O-CE 3.31Å; E344-K419 PolarHBondContact O-NZ 3.42Å
345D66.6Low66.3Low62 Ų62100.2 Ų100.233%0.33252%0.515SS..  trans-74113.7174.9-76.9-49.6000108.6E347 E348 R422D345-E347 PolarHBondContact O-N 2.96Å; D345-E348 PolarHBondContact O-N 3.33Å; D345-R422 IonicContact OD1-CZ 3.82Å; D345-R422 IonicContact OD1-NH1 2.9Å; D345-R422 IonicContact OD1-NH2 3.98Å; D345-R422 PolarHBondContact OD1-NH2 3.33Å; D345-R422 IonicContact OD2-NH2 3.48Å; D345-R422 PolarHBondContact OD2-NH2 3.11Å
346T61.2Low63.2Low88 Ų88104.1 Ų104.154%0.5455%0.546SS..THydrogen-bonded Turntrans-61.5-2.4-179.133.10000114.4E344 T378E344-T346 PolarHBondContact O-N 3.46Å; T346-T378 HydrophobicContact CG2-CG2 4.42Å
347E49Very low60.7Low163 Ų163103 Ų10376%0.76256%0.555SS**THydrogen-bonded Turntrans-90.3-21.5-178.8-62.1-155.2153.200114.4D345 E349 R350D345-E347 PolarHBondContact O-N 2.96Å; E347-E349 PolarHBondContact O-N 3.48Å; E347-R350 PolarHBondContact O-N 3.13Å
348E42.9Very low57.7Low136 Ų136107.2 Ų107.264%0.63659%0.587SS**THydrogen-bonded Turntrans-74.4-20.8-174.2-71-164.2157.800114.4D345D345-E348 PolarHBondContact O-N 3.33Å
349E40.4Very low55.2Low147 Ų147112 Ų11269%0.68763%0.628SS**THydrogen-bonded Turntrans-77.7-24.1176.4-73.4-167.9143.900113.4E347 G351 H376E347-E349 PolarHBondContact O-N 3.48Å; E349-G351 VanDerWaalsContact C-N 3.31Å; E349-G351 PolarHBondContact O-N 2.86Å; E349-H376 IonicContact OE2-CE1 2.7Å
350R40.6Very low52.3Low232 Ų232114.1 Ų114.188%0.87566%0.655SS**THydrogen-bonded Turntrans-74.3-20.5178.2-77.3-179.3173.5176.5-0.9113.3E347E347-R350 PolarHBondContact O-N 3.13Å
351G37.5Very low49.6Very low64 Ų64120.1 Ų120.166%0.6668%0.677SS**SBendtrans-90.2-17-17600000115.9E349E349-G351 VanDerWaalsContact C-N 3.31Å; E349-G351 PolarHBondContact O-N 2.86Å
352R42.3Very low46.9Very low218 Ų218117.4 Ų117.482%0.82368%0.683SS**SBendtrans-99.5-4.6-172.6-78.7-178176.1165.74115.6
353S37Very low44.2Very low107 Ų107125.1 Ų125.175%0.74872%0.718SS**SBendtrans-90-4.4-177-176.30000115.2
354M40.2Very low41.7Very low189 Ų189130.5 Ų130.593%0.93175%0.754SS**  trans-110.783.6176.6-78-73.8-84.300111.2
355G32.8Very low39.2Very low64 Ų64133.3 Ų133.366%0.6677%0.765SS**  trans-157.585.4178.300000114.6
356S30.7Very low37.3Very low120 Ų120139.3 Ų139.384%0.83979%0.793SS**  trans74.9125.8154.5-44.60000120.2
357P41.5Very low36.1Very low139 Ų139144.9 Ų144.990%0.90381%0.813SS**  trans-87.5122.8169.533.3-26.7000110.5
358S30.7Very low35Very low121 Ų121140.6 Ų140.685%0.84681%0.812SS**  trans-122.2119.2164.4-175.30000109.6
359A40.9Very low34.2Very low105 Ų105141.1 Ų141.187%0.86882%0.819SS**  trans-66.5144.4174.900000111.8
360G31.8Very low33.7Very low77 Ų77139.5 Ų139.579%0.79483%0.831SS**  trans172121.3171.100000111.3
361E31.5Very low33.6Very low205 Ų205132.7 Ų132.796%0.95882%0.819SS**  trans-78.5152.6-161.1-61.5165.2133.900115.9
362G30.1Very low33.5Very low70 Ų70135.1 Ų135.172%0.72283%0.826SS**  trans102.394.7134.500000119.3
363Q29.8Very low33Very low176 Ų176132.6 Ų132.682%0.82283%0.829SS**  172.6141.2127-96.5170.319.400111.8
364P35.7Very low33.2Very low127 Ų127138.4 Ų138.483%0.82583%0.834SS**  trans-88.3124.7174.733.7-27.2000110.2
365K29.4Very low33.5Very low190 Ų190134.4 Ų134.483%0.82682%0.822SS**  trans-129.3113.3166.2-90.5-175176.6177.80110.5
366M26.9Very low34.6Very low188 Ų188138.4 Ų138.493%0.92682%0.824SS**  trans19.4125.7148.3-79172.7163.700119.3
367E35.5Very low36.7Very low205 Ų205134.7 Ų134.796%0.95880%0.796SS**  trans-28.5126.2155.1-63169.5155.200113.9
368G27.8Very low38.6Very low73 Ų73131.8 Ų131.875%0.75378%0.775SS**  trans179.8116.3171.800000111.4
369D25.1Very low41.3Very low147 Ų147127.2 Ų127.279%0.78674%0.742SS**  trans67.391.4167.3-87.6-1.1000119.8S371D369-S371 VanDerWaalsContact C-N 3.28Å; D369-S371 PolarHBondContact O-N 2.87Å; D369-S371 VanDerWaalsContact O-N 3.09Å
370A29.6Very low43.6Very low113 Ų113124.8 Ų124.893%0.93471%0.714SS**  trans-68.986.3144.500000109.3
371S38.3Very low46.4Very low89 Ų89121.7 Ų121.762%0.62268%0.679SS**  trans-131.368.4169.464.20000111.4D369D369-S371 VanDerWaalsContact C-N 3.28Å; D369-S371 PolarHBondContact O-N 2.87Å; D369-S371 VanDerWaalsContact O-N 3.09Å
372S36.3Very low49.2Very low115 Ų115116.3 Ų116.380%0.80466%0.657SS**  trans-158.774.4163.445.70000111.5
373D32.1Very low52.2Low164 Ų164113.4 Ų113.488%0.87763%0.627SS**  trans-152.251.3154.8-125.5-1.4000109.1P375D373-P375 WeakPolarHBondContact O-CD 3.25Å
374R40.6Very low55.3Low229 Ų229105 Ų10586%0.86459%0.588SS**  trans-76.6121.4166.4-77.7-173.5-175.3177.73.7106.7H376R374-H376 PolarHBondContact O-N 3.43Å; R374-H376 VanDerWaalsContact O-N 3.13Å
375P46.4Very low58.2Low105 Ų10599.5 Ų99.568%0.68255%0.552SS**  trans-55.4124.7172.222.7-31.3000108D373 V377D373-P375 WeakPolarHBondContact O-CD 3.25Å; P375-V377 WeakPolarHBondContact O-CG2 3.4Å; P375-V377 PolarHBondContact O-N 3.19Å
376H56.2Low61.3Low149 Ų14996.9 Ų96.969%0.6954%0.542SS*.  trans-61.8102.4173.8-86.9-88.3000107.9E349 R374E349-H376 IonicContact OE2-CE1 2.7Å; R374-H376 PolarHBondContact O-N 3.43Å; R374-H376 VanDerWaalsContact O-N 3.13Å
377V75.3Confident64.5Low41 Ų4188.9 Ų88.925%0.24850%0.504CS..  trans-86.7115.6176.9-174.30000108.3R297 L300 P301 P375R297-V377 WeakPolarHBondContact O-CG1 3.42Å; L300-V377 HydrophobicContact CB-CG1 4.11Å; P301-V377 HydrophobicContact CG-CG1 3.85Å; P375-V377 WeakPolarHBondContact O-CG2 3.4Å; P375-V377 PolarHBondContact O-N 3.19Å
378T81.9Confident67.4Low78 Ų7879.1 Ų79.148%0.47946%0.459SS..  trans-99.8134.6-177.955.50000111.3T346T346-T378 HydrophobicContact CG2-CG2 4.42Å
379L87.4Confident70.5Confident26 Ų2677.6 Ų77.614%0.13643%0.433CS..  trans-68.7125170.3-175.769000110.8L300 V338 D342 L381 I384 T416L300-L379 HydrophobicContact CB-CD1 4.21Å; L300-L379 HydrophobicContact CD2-CD1 3.92Å; L300-L379 HydrophobicContact CG-CD1 4.46Å; V338-L379 HydrophobicContact CG1-CD2 4.12Å; V338-L379 HydrophobicContact CG2-CD1 4.13Å; V338-L379 HydrophobicContact CG2-CD2 4.36Å; D342-L379 HydrophobicContact CB-CB 4.48Å; D342-L379 HydrophobicContact CB-CD2 4.27Å; L379-L381 HydrophobicContact CD2-CD1 4.09Å; L379-L381 PolarHBondContact O-N 3.13Å; L379-I384 HydrophobicContact CD1-CD1 3.51Å; L379-I384 HydrophobicContact CD2-CD1 4.49Å; L379-I384 HydrophobicContact CG-CD1 3.95Å; L379-T416 HydrophobicContact CD2-CG2 4.42Å
380D87.9Confident73.8Confident53 Ų5379.7 Ų79.728%0.28343%0.43SS..  trans-76.374.7169.7173.927.3000110.4S304 G383 I384S304-D380 WeakPolarHBondContact CB-OD2 3.29Å; S304-D380 PolarHBondContact OG-OD2 2.74Å; D380-G383 PolarHBondContact OD1-N 3.01Å; D380-G383 WeakPolarHBondContact OD2-CA 3.49Å; D380-I384 WeakPolarHBondContact O-CD1 3.21Å; D380-I384 WeakPolarHBondContact O-CG1 3.45Å; D380-I384 PolarHBondContact O-N 3.39Å; D380-I384 VanDerWaalsContact O-N 3.13Å
381L90.4Very high76.8Confident12 Ų1275.5 Ų75.56%0.06339%0.391CS..Hα-helixtrans-65.9-39.9-176.9-168.867.6000111.9L379 G383 I384 V385 L412 K419 M420L379-L381 HydrophobicContact CD2-CD1 4.09Å; L379-L381 PolarHBondContact O-N 3.13Å; L381-G383 PolarHBondContact O-N 2.91Å; L381-I384 PolarHBondContact O-N 2.95Å; L381-V385 HydrophobicContact CD1-CG2 4.41Å; L381-V385 HydrophobicContact CG-CG2 4.24Å; L381-V385 WeakPolarHBondContact O-CB 3.35Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.44Å; L381-V385 PolarHBondContact O-N 3.25Å; L381-L412 HydrophobicContact CD1-CD1 4.13Å; L381-L412 HydrophobicContact CD1-CD2 3.88Å; L381-L412 HydrophobicContact CD1-CG 4.48Å; L381-K419 HydrophobicContact CD2-CB 3.4Å; L381-K419 VanDerWaalsContact CD2-CB 3.4Å; L381-M420 HydrophobicContact CD1-CG 4.49Å; L381-M420 HydrophobicContact CD1-SD 3.8Å; L381-M420 HydrophobicContact CD2-CG 4.25Å; L381-M420 HydrophobicContact CD2-SD 4.04Å; L381-M420 HydrophobicContact CG-SD 4.15Å
382D91.4Very high79.3Confident92 Ų9272.2 Ų72.249%0.49237%0.366SS..Hα-helixtrans-58.4-50.1179.4-71.7-0.1000111.1V385 Q386 H423D382-V385 PolarHBondContact O-N 3.32Å; D382-Q386 VanDerWaalsContact O-CG 3.24Å; D382-Q386 WeakPolarHBondContact O-CG 3.35Å; D382-Q386 PolarHBondContact O-N 3.16Å; D382-H423 IonicContact OD1-CE1 2.99Å; D382-H423 PolarHBondContact OD1-CE1 3.46Å; D382-H423 IonicContact OD1-NE2 3.47Å; D382-H423 PolarHBondContact OD1-NE2 3.39Å; D382-H423 VanDerWaalsContact OD1-NE2 3.15Å
383G92.9Very high81.9Confident10 Ų1072.3 Ų72.310%0.10335%0.354CS..Hα-helixtrans-63.8-41177.800000112.3D380 L381 Q386 V387D380-G383 PolarHBondContact OD1-N 3.01Å; D380-G383 WeakPolarHBondContact OD2-CA 3.49Å; L381-G383 PolarHBondContact O-N 2.91Å; G383-Q386 PolarHBondContact O-N 3.23Å; G383-V387 VanDerWaalsContact O-CG2 3.31Å; G383-V387 WeakPolarHBondContact O-CG2 3.49Å; G383-V387 PolarHBondContact O-N 3.25Å; G383-V387 VanDerWaalsContact O-N 3.12Å
384I95.3Very high84.6Confident0 Ų067.6 Ų67.60%033%0.329CS..Hα-helixtrans-59.8-52.5176-68.7163.6000110L307 L379 D380 L381 Q386 V387 L388 L412L307-I384 HydrophobicContact CD1-CB 4.43Å; L307-I384 HydrophobicContact CD1-CG1 4.15Å; L307-I384 HydrophobicContact CD1-CG2 3.78Å; L379-I384 HydrophobicContact CD1-CD1 3.51Å; L379-I384 HydrophobicContact CD2-CD1 4.49Å; L379-I384 HydrophobicContact CG-CD1 3.95Å; D380-I384 WeakPolarHBondContact O-CD1 3.21Å; D380-I384 WeakPolarHBondContact O-CG1 3.45Å; D380-I384 PolarHBondContact O-N 3.39Å; D380-I384 VanDerWaalsContact O-N 3.13Å; L381-I384 PolarHBondContact O-N 2.95Å; I384-Q386 VanDerWaalsContact C-N 3.29Å; I384-Q386 PolarHBondContact O-N 3.42Å; I384-V387 PolarHBondContact O-N 3.47Å; I384-V387 VanDerWaalsContact O-N 3.13Å; I384-L388 HydrophobicContact CG2-CD1 3.73Å; I384-L388 HydrophobicContact CG2-CG 4.12Å; I384-L388 VanDerWaalsContact O-CG 3.29Å; I384-L388 WeakPolarHBondContact O-CG 3.26Å; I384-L388 PolarHBondContact O-N 2.98Å; I384-L412 HydrophobicContact CG2-CD1 3.83Å
385V94.9Very high86.6Confident10 Ų1062.5 Ų62.56%0.06133%0.328CS..Hα-helixtrans-60.4-39.7-178.2171.10000111.2L381 D382 V387 L388 N389 M420 H423 L427L381-V385 HydrophobicContact CD1-CG2 4.41Å; L381-V385 HydrophobicContact CG-CG2 4.24Å; L381-V385 WeakPolarHBondContact O-CB 3.35Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.44Å; L381-V385 PolarHBondContact O-N 3.25Å; D382-V385 PolarHBondContact O-N 3.32Å; V385-V387 PolarHBondContact O-N 3.46Å; V385-L388 PolarHBondContact O-N 3.45Å; V385-N389 WeakPolarHBondContact O-CB 3.16Å; V385-N389 PolarHBondContact O-N 3.13Å; V385-M420 HydrophobicContact CG2-CE 4.15Å; V385-M420 HydrophobicContact CG2-SD 3.7Å; V385-H423 HydrophobicContact CG1-CB 3.98Å; V385-L427 HydrophobicContact CG1-CD1 3.97Å; V385-L427 HydrophobicContact CG1-CD2 4.05Å; V385-L427 HydrophobicContact CG1-CG 4.18Å
386Q94.7Very high88.4Confident135 Ų13562.1 Ų62.163%0.63133%0.328SS*.Hα-helixtrans-60.5-43.9175.5-74.2174.926.900112.6D382 G383 I384 N389 R390D382-Q386 VanDerWaalsContact O-CG 3.24Å; D382-Q386 WeakPolarHBondContact O-CG 3.35Å; D382-Q386 PolarHBondContact O-N 3.16Å; G383-Q386 PolarHBondContact O-N 3.23Å; I384-Q386 VanDerWaalsContact C-N 3.29Å; I384-Q386 PolarHBondContact O-N 3.42Å; Q386-N389 PolarHBondContact O-N 3.39Å; Q386-R390 WeakPolarHBondContact O-CB 3.3Å; Q386-R390 PolarHBondContact O-N 2.91Å
387V95.1Very high90Very high20 Ų2055.6 Ų55.612%0.12130%0.299CS..Hα-helixtrans-65.8-47.4178.5172.50000111.1L307 T308 L311 G383 I384 V385 N389 R390 H391L307-V387 HydrophobicContact CB-CG1 4.18Å; T308-V387 VanDerWaalsContact OG1-CG2 3.25Å; T308-V387 WeakPolarHBondContact OG1-CG2 3.4Å; L311-V387 HydrophobicContact CD1-CG1 4.3Å; G383-V387 VanDerWaalsContact O-CG2 3.31Å; G383-V387 WeakPolarHBondContact O-CG2 3.49Å; G383-V387 PolarHBondContact O-N 3.25Å; G383-V387 VanDerWaalsContact O-N 3.12Å; I384-V387 PolarHBondContact O-N 3.47Å; I384-V387 VanDerWaalsContact O-N 3.13Å; V385-V387 PolarHBondContact O-N 3.46Å; V387-N389 VanDerWaalsContact C-N 3.31Å; V387-N389 PolarHBondContact O-N 2.72Å; V387-R390 PolarHBondContact O-N 3.32Å; V387-H391 PolarHBondContact O-CD2 2.7Å; V387-H391 PolarHBondContact O-N 3.48Å
388L96Very high90.7Very high0 Ų054.7 Ų54.70%030%0.298CS..Hα-helixtrans-59.1-44.9176.7-65.1-179.7000111L311 I384 V385 R390 H391 L392 V405 W408 L409 L412L311-L388 HydrophobicContact CD1-CD2 3.85Å; I384-L388 HydrophobicContact CG2-CD1 3.73Å; I384-L388 HydrophobicContact CG2-CG 4.12Å; I384-L388 VanDerWaalsContact O-CG 3.29Å; I384-L388 WeakPolarHBondContact O-CG 3.26Å; I384-L388 PolarHBondContact O-N 2.98Å; V385-L388 PolarHBondContact O-N 3.45Å; L388-R390 PolarHBondContact O-N 3.29Å; L388-H391 PolarHBondContact O-N 3.37Å; L388-L392 PolarHBondContact O-N 2.72Å; L388-V405 HydrophobicContact CB-CG1 3.84Å; L388-V405 HydrophobicContact CD2-CB 4.23Å; L388-V405 HydrophobicContact CD2-CG1 3.93Å; L388-V405 HydrophobicContact CD2-CG2 4.01Å; L388-V405 HydrophobicContact CG-CG1 4.41Å; L388-V405 WeakPolarHBondContact O-CG1 3.49Å; L388-W408 HydrophobicContact CD1-CB 3.76Å; L388-W408 HydrophobicContact CD2-CB 3.78Å; L388-W408 HydrophobicContact CD2-CG 4.12Å; L388-W408 HydrophobicContact CG-CB 4.46Å; L388-L409 HydrophobicContact CB-CD2 4.31Å; L388-L409 HydrophobicContact CD1-CD2 3.75Å; L388-L409 HydrophobicContact CD1-CG 4.15Å; L388-L412 HydrophobicContact CD1-CD1 3.89Å
389N93.4Very high91.2Very high41 Ų4154.9 Ų54.922%0.21929%0.294CS..Hα-helixtrans-62.4-43.4178.9-170.524.1000112.4V385 Q386 V387 H391 L392 H393 L427 I430V385-N389 WeakPolarHBondContact O-CB 3.16Å; V385-N389 PolarHBondContact O-N 3.13Å; Q386-N389 PolarHBondContact O-N 3.39Å; V387-N389 VanDerWaalsContact C-N 3.31Å; V387-N389 PolarHBondContact O-N 2.72Å; N389-H391 VanDerWaalsContact C-N 3.31Å; N389-H391 PolarHBondContact O-N 2.85Å; N389-L392 PolarHBondContact O-N 3.04Å; N389-H393 PolarHBondContact O-N 3.11Å; N389-L427 HydrophobicContact CB-CD2 4.19Å; N389-I430 WeakPolarHBondContact OD1-CD1 3.18Å
390R93.8Very high91.5Very high191 Ų19157.6 Ų57.672%0.72131%0.307SS*.Hα-helixtrans-57.4-43.7176.7179.3177.7-77.6176.6-3111.7Q386 V387 L388 H393 D394Q386-R390 WeakPolarHBondContact O-CB 3.3Å; Q386-R390 PolarHBondContact O-N 2.91Å; V387-R390 PolarHBondContact O-N 3.32Å; L388-R390 PolarHBondContact O-N 3.29Å; R390-H393 PolarHBondContact O-N 3.2Å; R390-D394 PolarHBondContact O-N 3.11Å; R390-D394 VanDerWaalsContact O-N 3.14Å
391H92.6Very high91.8Very high25 Ų2555.1 Ų55.112%0.11629%0.294CS..Hα-helixtrans-69.4-29.5179.5-81.2-59.5000114.4V387 L388 N389 T397 V405V387-H391 PolarHBondContact O-CD2 2.7Å; V387-H391 PolarHBondContact O-N 3.48Å; L388-H391 PolarHBondContact O-N 3.37Å; N389-H391 VanDerWaalsContact C-N 3.31Å; N389-H391 PolarHBondContact O-N 2.85Å; H391-T397 HydrophobicContact CB-CG2 4.27Å; H391-T397 PolarHBondContact ND1-OG1 3.42Å; H391-T397 WeakPolarHBondContact O-CB 3.38Å; H391-T397 PolarHBondContact O-OG1 3.29Å; H391-V405 HydrophobicContact CB-CG2 3.78Å
392L91.4Very high92Very high20 Ų2056.4 Ų56.411%0.10530%0.298CS..Hα-helixtrans-77.5-29.1172.9-71.1177.2000112.7L388 N389 R402 V405 L406 L409 I430 L431L388-L392 PolarHBondContact O-N 2.72Å; N389-L392 PolarHBondContact O-N 3.04Å; L392-R402 HydrophobicContact CD2-CB 4.48Å; L392-V405 HydrophobicContact CD1-CG1 3.88Å; L392-V405 HydrophobicContact CD2-CB 4.4Å; L392-V405 HydrophobicContact CD2-CG1 3.96Å; L392-V405 HydrophobicContact CG-CB 4.49Å; L392-V405 HydrophobicContact CG-CG1 3.58Å; L392-L406 HydrophobicContact CD1-CD2 4.05Å; L392-L406 HydrophobicContact CD2-CD2 4.12Å; L392-L406 HydrophobicContact CD2-CG 4.16Å; L392-L409 HydrophobicContact CD1-CD1 3.69Å; L392-I430 HydrophobicContact CB-CG2 3.94Å; L392-L431 HydrophobicContact CD1-CD2 4.36Å
393H89.8Confident92.2Very high118 Ų11852.1 Ų52.155%0.54628%0.275SS..Hα-helixtrans-76.1-33.1179.6-15886.4000112.8N389 R390 S395N389-H393 PolarHBondContact O-N 3.11Å; R390-H393 PolarHBondContact O-N 3.2Å; H393-S395 PolarHBondContact O-N 3.33Å
394D89.1Confident92.4Very high64 Ų6452 Ų5234%0.34227%0.273SS..  trans-76.8111.9-178.6174.223000112R390 S396 T397R390-D394 PolarHBondContact O-N 3.11Å; R390-D394 VanDerWaalsContact O-N 3.14Å; D394-S396 PolarHBondContact O-N 3.14Å; D394-S396 WeakPolarHBondContact OD1-CB 3.34Å; D394-S396 PolarHBondContact OD1-N 3.19Å; D394-S396 PolarHBondContact OD1-OG 3.47Å; D394-S396 PolarHBondContact OD2-OG 3.02Å; D394-T397 WeakPolarHBondContact O-CB 3.43Å; D394-T397 PolarHBondContact O-N 3.18Å; D394-T397 PolarHBondContact OD2-OG1 3.3Å; D394-T397 VanDerWaalsContact OD2-OG1 3.08Å
395S81.9Confident92.5Very high122 Ų12252 Ų5285%0.85327%0.273SS*.THydrogen-bonded Turntrans-64.7-17.817852.40000114.1H393H393-S395 PolarHBondContact O-N 3.33Å
396S85.1Confident92.7Very high98 Ų9851.5 Ų51.569%0.68527%0.271SS*.THydrogen-bonded Turntrans-85.6-10.6178.374.20000113.7D394 G398D394-S396 PolarHBondContact O-N 3.14Å; D394-S396 WeakPolarHBondContact OD1-CB 3.34Å; D394-S396 PolarHBondContact OD1-N 3.19Å; D394-S396 PolarHBondContact OD1-OG 3.47Å; D394-S396 PolarHBondContact OD2-OG 3.02Å; S396-G398 PolarHBondContact O-N 2.8Å
397T89.4Confident92.8Very high11 Ų1149.4 Ų49.47%0.06726%0.259CS..SBendtrans-64.4129.9178.6-72.40000110.5H391 D394 T401 R402H391-T397 HydrophobicContact CB-CG2 4.27Å; H391-T397 PolarHBondContact ND1-OG1 3.42Å; H391-T397 WeakPolarHBondContact O-CB 3.38Å; H391-T397 PolarHBondContact O-OG1 3.29Å; D394-T397 WeakPolarHBondContact O-CB 3.43Å; D394-T397 PolarHBondContact O-N 3.18Å; D394-T397 PolarHBondContact OD2-OG1 3.3Å; D394-T397 VanDerWaalsContact OD2-OG1 3.08Å; T397-T401 HydrophobicContact CG2-CG2 3.57Å; T397-R402 HydrophobicContact CG2-CG 3.81Å; T397-R402 PolarHBondContact O-NH1 3.36Å
398G89.6Confident92.9Very high23 Ų2348.5 Ų48.524%0.23725%0.254CS..  trans-65.3152.5-177.100000114.1S396 M400 T401 R402S396-G398 PolarHBondContact O-N 2.8Å; G398-M400 PolarHBondContact O-N 3.08Å; G398-T401 WeakPolarHBondContact O-CB 3.41Å; G398-T401 PolarHBondContact O-N 3.19Å; G398-R402 PolarHBondContact O-N 3.34Å; G398-R402 VanDerWaalsContact O-N 3.08Å
399M92.7Very high93Very high81 Ų8148.5 Ų48.540%0.39925%0.254SS..Hα-helixtrans-52.4-47.6-175.4-178.4-174.972.200113.4T401 R402 I403 S439 V442M399-T401 VanDerWaalsContact C-N 3.26Å; M399-T401 PolarHBondContact O-N 2.81Å; M399-R402 PolarHBondContact O-N 3.16Å; M399-I403 HydrophobicContact CG-CD1 3.93Å; M399-I403 WeakPolarHBondContact O-CG1 3.3Å; M399-I403 PolarHBondContact O-N 2.94Å; M399-S439 PolarHBondContact SD-OG 3.21Å; M399-S439 VanDerWaalsContact SD-OG 3.37Å; M399-V442 HydrophobicContact CG-CG2 4.04Å
400M93.1Very high93.2Very high83 Ų8350.4 Ų50.441%0.40926%0.258SS..Hα-helixtrans-62.8-33.5-179.4-65.6-59-71.800112.6L314 G398 I403 A404L314-M400 WeakPolarHBondContact O-CB 3.38Å; G398-M400 PolarHBondContact O-N 3.08Å; M400-I403 HydrophobicContact SD-CD1 4.32Å; M400-A404 WeakPolarHBondContact O-CB 3.47Å; M400-A404 PolarHBondContact O-N 2.95Å
401T94.6Very high93.3Very high1 Ų143 Ų431%0.00623%0.232CC..Hα-helixtrans-70.3-44175.8-58.20000110.7L311 S315 T397 G398 M399 I403 A404 V405L311-T401 HydrophobicContact CB-CG2 3.97Å; L311-T401 VanDerWaalsContact O-CG2 3.26Å; L311-T401 WeakPolarHBondContact O-CG2 3.13Å; L311-T401 PolarHBondContact O-OG1 3.06Å; S315-T401 PolarHBondContact OG-OG1 3.23Å; T397-T401 HydrophobicContact CG2-CG2 3.57Å; G398-T401 WeakPolarHBondContact O-CB 3.41Å; G398-T401 PolarHBondContact O-N 3.19Å; M399-T401 VanDerWaalsContact C-N 3.26Å; M399-T401 PolarHBondContact O-N 2.81Å; T401-I403 VanDerWaalsContact C-N 3.32Å; T401-I403 PolarHBondContact O-N 3.5Å; T401-A404 PolarHBondContact O-N 3.28Å; T401-A404 VanDerWaalsContact O-N 3.15Å; T401-V405 HydrophobicContact CG2-CG2 4.48Å; T401-V405 VanDerWaalsContact O-CG2 3.28Å; T401-V405 WeakPolarHBondContact O-CG2 3.45Å; T401-V405 PolarHBondContact O-N 2.98Å
402R95.6Very high93.4Very high39 Ų3941.8 Ų41.815%0.14723%0.226CC..Hα-helixtrans-58.5-43.9174.2-59.5-162.5-59-89.98.1111.7L392 T397 G398 M399 A404 V405 L406 D437 V442L392-R402 HydrophobicContact CD2-CB 4.48Å; T397-R402 HydrophobicContact CG2-CG 3.81Å; T397-R402 PolarHBondContact O-NH1 3.36Å; G398-R402 PolarHBondContact O-N 3.34Å; G398-R402 VanDerWaalsContact O-N 3.08Å; M399-R402 PolarHBondContact O-N 3.16Å; R402-A404 PolarHBondContact O-N 2.9Å; R402-V405 PolarHBondContact O-N 3.14Å; R402-L406 WeakPolarHBondContact O-CG 3.3Å; R402-L406 PolarHBondContact O-N 2.82Å; R402-D437 IonicContact CZ-OD1 2.94Å; R402-D437 IonicContact CZ-OD2 2.8Å; R402-D437 VanDerWaalsContact CZ-OD2 3.27Å; R402-D437 IonicContact NE-OD2 2.7Å; R402-D437 PolarHBondContact NE-OD2 3.23Å; R402-D437 IonicContact NH2-OD1 3.08Å; R402-D437 PolarHBondContact NH2-OD1 2.87Å; R402-D437 IonicContact NH2-OD2 3.41Å; R402-D437 PolarHBondContact NH2-OD2 3.46Å; R402-V442 HydrophobicContact CB-CG1 4.44Å; R402-V442 HydrophobicContact CB-CG2 4.35Å
403I95.9Very high93.6Very high2 Ų240.8 Ų40.81%0.0122%0.221CC..Hα-helixtrans-60.2-45.1175-68.5163.1000111.4M399 M400 T401 V405 L406 K407 E441 V442 K445M399-I403 HydrophobicContact CG-CD1 3.93Å; M399-I403 WeakPolarHBondContact O-CG1 3.3Å; M399-I403 PolarHBondContact O-N 2.94Å; M400-I403 HydrophobicContact SD-CD1 4.32Å; T401-I403 VanDerWaalsContact C-N 3.32Å; T401-I403 PolarHBondContact O-N 3.5Å; I403-V405 VanDerWaalsContact C-N 3.33Å; I403-V405 PolarHBondContact O-N 3.21Å; I403-L406 PolarHBondContact O-N 3.35Å; I403-K407 HydrophobicContact CG2-CD 4.18Å; I403-K407 WeakPolarHBondContact O-CG 3.44Å; I403-K407 PolarHBondContact O-N 2.99Å; I403-E441 HydrophobicContact CD1-CB 4.13Å; I403-E441 VanDerWaalsContact CD1-CD 3.44Å; I403-E441 HydrophobicContact CD1-CG 3.75Å; I403-E441 HydrophobicContact CG1-CG 4.3Å; I403-V442 HydrophobicContact CD1-CG2 4.45Å; I403-V442 HydrophobicContact CG1-CG2 3.88Å; I403-K445 HydrophobicContact CG2-CG 4.32Å
404A96.9Very high93.8Very high8 Ų838.5 Ų38.57%0.06621%0.212CC..Hα-helixtrans-63.7-39.6178.400000112L311 L314 M400 T401 R402 K407 W408L311-A404 HydrophobicContact CD2-CB 4.08Å; L314-A404 HydrophobicContact CD1-CB 3.38Å; M400-A404 WeakPolarHBondContact O-CB 3.47Å; M400-A404 PolarHBondContact O-N 2.95Å; T401-A404 PolarHBondContact O-N 3.28Å; T401-A404 VanDerWaalsContact O-N 3.15Å; R402-A404 PolarHBondContact O-N 2.9Å; A404-K407 WeakPolarHBondContact O-CB 3.42Å; A404-K407 PolarHBondContact O-N 2.7Å; A404-W408 PolarHBondContact O-N 3.47Å
405V97.5Very high94Very high0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-62.3-45176169.60000111.6L311 L388 H391 L392 T401 R402 I403 K407 W408 L409L311-V405 HydrophobicContact CD1-CG2 3.96Å; L311-V405 HydrophobicContact CD2-CG2 4.45Å; L388-V405 HydrophobicContact CB-CG1 3.84Å; L388-V405 HydrophobicContact CD2-CB 4.23Å; L388-V405 HydrophobicContact CD2-CG1 3.93Å; L388-V405 HydrophobicContact CD2-CG2 4.01Å; L388-V405 HydrophobicContact CG-CG1 4.41Å; L388-V405 WeakPolarHBondContact O-CG1 3.49Å; H391-V405 HydrophobicContact CB-CG2 3.78Å; L392-V405 HydrophobicContact CD1-CG1 3.88Å; L392-V405 HydrophobicContact CD2-CB 4.4Å; L392-V405 HydrophobicContact CD2-CG1 3.96Å; L392-V405 HydrophobicContact CG-CB 4.49Å; L392-V405 HydrophobicContact CG-CG1 3.58Å; T401-V405 HydrophobicContact CG2-CG2 4.48Å; T401-V405 VanDerWaalsContact O-CG2 3.28Å; T401-V405 WeakPolarHBondContact O-CG2 3.45Å; T401-V405 PolarHBondContact O-N 2.98Å; R402-V405 PolarHBondContact O-N 3.14Å; I403-V405 VanDerWaalsContact C-N 3.33Å; I403-V405 PolarHBondContact O-N 3.21Å; V405-K407 VanDerWaalsContact C-N 3.33Å; V405-K407 PolarHBondContact O-N 2.91Å; V405-W408 WeakPolarHBondContact O-CB 3.26Å; V405-W408 PolarHBondContact O-N 3.2Å; V405-W408 VanDerWaalsContact O-N 3.16Å; V405-L409 PolarHBondContact O-N 2.96Å
406L97.7Very high94.5Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-64.5-37.9176.5-67.3169000112L392 R402 I403 W408 L409 Y410 L431 T434 V442 K445 D446 V449L392-L406 HydrophobicContact CD1-CD2 4.05Å; L392-L406 HydrophobicContact CD2-CD2 4.12Å; L392-L406 HydrophobicContact CD2-CG 4.16Å; R402-L406 WeakPolarHBondContact O-CG 3.3Å; R402-L406 PolarHBondContact O-N 2.82Å; I403-L406 PolarHBondContact O-N 3.35Å; L406-W408 VanDerWaalsContact C-N 3.31Å; L406-W408 PolarHBondContact O-N 3.45Å; L406-L409 PolarHBondContact O-N 3.31Å; L406-Y410 WeakPolarHBondContact O-CB 3.46Å; L406-Y410 PolarHBondContact O-N 3.49Å; L406-L431 HydrophobicContact CD2-CD2 3.87Å; L406-T434 HydrophobicContact CD1-CG2 4.37Å; L406-V442 HydrophobicContact CD1-CG1 3.72Å; L406-V442 VanDerWaalsContact CD1-O 3.29Å; L406-V442 WeakPolarHBondContact CD1-O 3.36Å; L406-K445 HydrophobicContact CB-CB 3.85Å; L406-K445 HydrophobicContact CD1-CB 3.93Å; L406-D446 HydrophobicContact CD1-CB 4Å; L406-D446 HydrophobicContact CD2-CB 4.12Å; L406-V449 HydrophobicContact CB-CG2 4.49Å; L406-V449 HydrophobicContact CD2-CG2 4.49Å; L406-V449 WeakPolarHBondContact O-CG2 3.32Å
407K97.6Very high94.8Very high91 Ų9129.2 Ų29.240%0.39614%0.144SC..Hα-helixtrans-61.6-38.9172.4-73.6172.4-179.9172.80112.2I403 A404 V405 H411I403-K407 HydrophobicContact CG2-CD 4.18Å; I403-K407 WeakPolarHBondContact O-CG 3.44Å; I403-K407 PolarHBondContact O-N 2.99Å; A404-K407 WeakPolarHBondContact O-CB 3.42Å; A404-K407 PolarHBondContact O-N 2.7Å; V405-K407 VanDerWaalsContact C-N 3.33Å; V405-K407 PolarHBondContact O-N 2.91Å; K407-H411 WeakPolarHBondContact O-CB 3.45Å; K407-H411 PolarHBondContact O-N 2.89Å
408W97.8Very high94.8Very high0 Ų036.2 Ų36.20%017%0.169CC..Hα-helixtrans-63.3-49.8173.4-93.6104.3000111.9L307 N331 L334 M335 V338 L388 A404 V405 L406 Y410 H411 L412L307-W408 HydrophobicContact CD1-CD2 4.43Å; L307-W408 HydrophobicContact CD1-CZ2 4.37Å; L307-W408 HydrophobicContact CD2-CD2 4.49Å; L307-W408 HydrophobicContact CD2-CZ2 3.7Å; N331-W408 PolarHBondContact OD1-NE1 3.17Å; L334-W408 HydrophobicContact CB-CH2 4.25Å; L334-W408 HydrophobicContact CB-CZ2 4.11Å; L334-W408 HydrophobicContact CD2-CH2 4.2Å; L334-W408 HydrophobicContact CD2-CZ2 4.1Å; L334-W408 HydrophobicContact CG-CH2 3.89Å; L334-W408 HydrophobicContact CG-CZ2 4.07Å; M335-W408 HydrophobicContact CB-CH2 3.77Å; M335-W408 HydrophobicContact CB-CZ2 3.67Å; M335-W408 HydrophobicContact CB-CZ3 4.28Å; M335-W408 HydrophobicContact CG-CD2 4.33Å; M335-W408 HydrophobicContact CG-CE3 4.23Å; M335-W408 HydrophobicContact CG-CH2 4.15Å; M335-W408 HydrophobicContact CG-CZ2 4.22Å; M335-W408 HydrophobicContact CG-CZ3 4.14Å; M335-W408 HydrophobicContact SD-CD2 4.33Å; V338-W408 HydrophobicContact CG2-CZ3 4.17Å; L388-W408 HydrophobicContact CD1-CB 3.76Å; L388-W408 HydrophobicContact CD2-CB 3.78Å; L388-W408 HydrophobicContact CD2-CG 4.12Å; L388-W408 HydrophobicContact CG-CB 4.46Å; A404-W408 PolarHBondContact O-N 3.47Å; V405-W408 WeakPolarHBondContact O-CB 3.26Å; V405-W408 PolarHBondContact O-N 3.2Å; V405-W408 VanDerWaalsContact O-N 3.16Å; L406-W408 VanDerWaalsContact C-N 3.31Å; L406-W408 PolarHBondContact O-N 3.45Å; W408-Y410 VanDerWaalsContact C-N 3.32Å; W408-Y410 PolarHBondContact O-N 3.28Å; W408-H411 PolarHBondContact O-N 3.47Å; W408-H411 VanDerWaalsContact O-N 3.16Å; W408-L412 HydrophobicContact CE3-CD1 4.44Å; W408-L412 HydrophobicContact CE3-CD2 4.48Å; W408-L412 HydrophobicContact CE3-CG 4.31Å; W408-L412 VanDerWaalsContact O-CG 3.28Å; W408-L412 WeakPolarHBondContact O-CG 3.47Å; W408-L412 PolarHBondContact O-N 3.01Å
409L97.4Very high94.9Very high0 Ų037.1 Ų37.10%017%0.166CC..Hα-helixtrans-57.5-47.2177.4-69.5177000111.2L388 L392 V405 L406 H411 L412 Y413 M420 L427 L431 V449L388-L409 HydrophobicContact CB-CD2 4.31Å; L388-L409 HydrophobicContact CD1-CD2 3.75Å; L388-L409 HydrophobicContact CD1-CG 4.15Å; L392-L409 HydrophobicContact CD1-CD1 3.69Å; V405-L409 PolarHBondContact O-N 2.96Å; L406-L409 PolarHBondContact O-N 3.31Å; L409-H411 VanDerWaalsContact C-N 3.34Å; L409-H411 PolarHBondContact O-N 3.15Å; L409-L412 PolarHBondContact O-N 3.4Å; L409-Y413 WeakPolarHBondContact O-CD2 3.38Å; L409-Y413 PolarHBondContact O-N 3.06Å; L409-M420 HydrophobicContact CD2-CE 4.1Å; L409-L427 HydrophobicContact CD2-CD1 4Å; L409-L427 HydrophobicContact CD2-CD2 4.33Å; L409-L431 HydrophobicContact CD1-CD2 3.94Å; L409-V449 HydrophobicContact CB-CG1 4.15Å; L409-V449 HydrophobicContact CB-CG2 4.17Å
410Y97.1Very high94.9Very high81 Ų8133.3 Ų33.332%0.31815%0.147SC..Hα-helixtrans-57.2-46.9175.8-178.3-108.4000111.7L406 W408 L412 Y413 I414 E448 E452L406-Y410 WeakPolarHBondContact O-CB 3.46Å; L406-Y410 PolarHBondContact O-N 3.49Å; W408-Y410 VanDerWaalsContact C-N 3.32Å; W408-Y410 PolarHBondContact O-N 3.28Å; Y410-L412 PolarHBondContact O-N 2.98Å; Y410-Y413 PolarHBondContact O-N 3.49Å; Y410-I414 HydrophobicContact CD1-CD1 3.8Å; Y410-I414 HydrophobicContact CD2-CD1 4.44Å; Y410-I414 HydrophobicContact CE1-CD1 3.28Å; Y410-I414 HydrophobicContact CE2-CD1 4Å; Y410-I414 HydrophobicContact CG-CD1 4.37Å; Y410-I414 WeakPolarHBondContact O-CG1 3.49Å; Y410-I414 PolarHBondContact O-N 2.76Å; Y410-I414 VanDerWaalsContact O-N 3.11Å; Y410-E448 HydrophobicContact CD2-CB 4.12Å; Y410-E448 HydrophobicContact CE2-CB 4.17Å; Y410-E452 HydrophobicContact CD2-CB 4.12Å; Y410-E452 HydrophobicContact CE2-CB 4.02Å; Y410-E452 HydrophobicContact CE2-CG 4.39Å
411H96.3Very high94.8Very high35 Ų3530.5 Ų30.516%0.16213%0.133CC..Hα-helixtrans-61.8-42.6178.5-169.874.7000112.6M335 K407 W408 L409 I414 K415M335-H411 HydrophobicContact CG-CB 4.06Å; M335-H411 WeakPolarHBondContact CG-CD2 3.25Å; M335-H411 PolarHBondContact O-NE2 3Å; M335-H411 VanDerWaalsContact O-NE2 3.11Å; M335-H411 HydrophobicContact SD-CB 3.81Å; K407-H411 WeakPolarHBondContact O-CB 3.45Å; K407-H411 PolarHBondContact O-N 2.89Å; W408-H411 PolarHBondContact O-N 3.47Å; W408-H411 VanDerWaalsContact O-N 3.16Å; L409-H411 VanDerWaalsContact C-N 3.34Å; L409-H411 PolarHBondContact O-N 3.15Å; H411-I414 PolarHBondContact O-N 3.27Å; H411-K415 WeakPolarHBondContact NE2-CG 3.33Å; H411-K415 WeakPolarHBondContact O-CB 3.46Å; H411-K415 WeakPolarHBondContact O-CG 3.5Å; H411-K415 PolarHBondContact O-N 3.14Å
412L95.8Very high94.6Very high0 Ų038.2 Ų38.20%016%0.162CC..Hα-helixtrans-67.3-37.5177.8-66.9171.4000111.9V338 L381 I384 L388 W408 L409 Y410 I414 K415 T416 M420V338-L412 HydrophobicContact CG1-CD2 4.23Å; L381-L412 HydrophobicContact CD1-CD1 4.13Å; L381-L412 HydrophobicContact CD1-CD2 3.88Å; L381-L412 HydrophobicContact CD1-CG 4.48Å; I384-L412 HydrophobicContact CG2-CD1 3.83Å; L388-L412 HydrophobicContact CD1-CD1 3.89Å; W408-L412 HydrophobicContact CE3-CD1 4.44Å; W408-L412 HydrophobicContact CE3-CD2 4.48Å; W408-L412 HydrophobicContact CE3-CG 4.31Å; W408-L412 VanDerWaalsContact O-CG 3.28Å; W408-L412 WeakPolarHBondContact O-CG 3.47Å; W408-L412 PolarHBondContact O-N 3.01Å; L409-L412 PolarHBondContact O-N 3.4Å; Y410-L412 PolarHBondContact O-N 2.98Å; L412-I414 VanDerWaalsContact C-N 3.28Å; L412-I414 PolarHBondContact O-N 3.08Å; L412-K415 PolarHBondContact O-N 3.41Å; L412-T416 CarbonylContact O-C 3.49Å; L412-T416 VanDerWaalsContact O-C 3.26Å; L412-T416 WeakPolarHBondContact O-CA 3.38Å; L412-T416 PolarHBondContact O-N 3.37Å; L412-T416 PolarHBondContact O-OG1 3.3Å; L412-M420 HydrophobicContact CB-CE 4.11Å; L412-M420 HydrophobicContact CB-CG 3.75Å; L412-M420 HydrophobicContact CB-SD 3.71Å; L412-M420 HydrophobicContact CD1-SD 4.05Å; L412-M420 HydrophobicContact CG-SD 4.46Å
413Y94.8Very high94.5Very high0 Ų037.9 Ų37.90%016%0.162CC..Hα-helixtrans-66.2-30.6173.9-83.5-68.9000112.9L409 Y410 P417 M420 F421 T424 V449 I453L409-Y413 WeakPolarHBondContact O-CD2 3.38Å; L409-Y413 PolarHBondContact O-N 3.06Å; Y410-Y413 PolarHBondContact O-N 3.49Å; Y413-P417 WeakPolarHBondContact O-CB 3.44Å; Y413-M420 HydrophobicContact CD1-CB 3.8Å; Y413-M420 HydrophobicContact CD2-CE 4.03Å; Y413-M420 HydrophobicContact CE1-CB 3.72Å; Y413-M420 HydrophobicContact CE1-CE 4.33Å; Y413-M420 HydrophobicContact CE2-CE 3.62Å; Y413-M420 HydrophobicContact CG-CB 4.42Å; Y413-F421 HydrophobicContact CD1-CE2 4.46Å; Y413-T424 WeakPolarHBondContact CE1-OG1 3.34Å; Y413-T424 WeakPolarHBondContact OH-CA 3.36Å; Y413-T424 PolarHBondContact OH-OG1 3.19Å; Y413-V449 HydrophobicContact CD2-CG1 4Å; Y413-V449 HydrophobicContact CE2-CG1 4.08Å; Y413-I453 HydrophobicContact CD1-CG1 3.98Å; Y413-I453 HydrophobicContact CD2-CD1 4.29Å; Y413-I453 HydrophobicContact CD2-CG1 4.01Å; Y413-I453 HydrophobicContact CE1-CD1 4.26Å; Y413-I453 HydrophobicContact CE1-CG1 3.71Å; Y413-I453 HydrophobicContact CE2-CD1 3.64Å; Y413-I453 HydrophobicContact CE2-CG1 3.74Å; Y413-I453 HydrophobicContact CG-CG1 4.14Å
414I93.9Very high94.3Very high69 Ų6937.8 Ų37.835%0.35416%0.162SC..Hα-helixtrans-75.9-42.8174.7-71172.9000112Y410 H411 L412 E452Y410-I414 HydrophobicContact CD1-CD1 3.8Å; Y410-I414 HydrophobicContact CD2-CD1 4.44Å; Y410-I414 HydrophobicContact CE1-CD1 3.28Å; Y410-I414 HydrophobicContact CE2-CD1 4Å; Y410-I414 HydrophobicContact CG-CD1 4.37Å; Y410-I414 WeakPolarHBondContact O-CG1 3.49Å; Y410-I414 PolarHBondContact O-N 2.76Å; Y410-I414 VanDerWaalsContact O-N 3.11Å; H411-I414 PolarHBondContact O-N 3.27Å; L412-I414 VanDerWaalsContact C-N 3.28Å; L412-I414 PolarHBondContact O-N 3.08Å; I414-E452 HydrophobicContact CG1-CG 4.24Å
415K93.5Very high94Very high63 Ų6341.7 Ų41.727%0.27418%0.181SC..Hα-helixtrans-88.9-41.7-172.3-65.5-55.8-174.6-1770113V338 P340 H411 L412 P417V338-K415 HydrophobicContact CG1-CB 4Å; P340-K415 VanDerWaalsContact CA-O 3.32Å; P340-K415 WeakPolarHBondContact CA-O 3.27Å; P340-K415 HydrophobicContact CG-CD 3.96Å; H411-K415 WeakPolarHBondContact NE2-CG 3.33Å; H411-K415 WeakPolarHBondContact O-CB 3.46Å; H411-K415 WeakPolarHBondContact O-CG 3.5Å; H411-K415 PolarHBondContact O-N 3.14Å; L412-K415 PolarHBondContact O-N 3.41Å; K415-P417 WeakPolarHBondContact O-CD 3.41Å
416T92.8Very high93.7Very high0 Ų047.2 Ų47.20%021%0.211CC..SBendtrans-124.256.4-176.959.50000111.7V338 D342 D343 L379 L412 R418 M420V338-T416 HydrophobicContact CG1-CG2 4.2Å; D342-T416 HydrophobicContact CB-CG2 3.74Å; D343-T416 HydrophobicContact CB-CG2 4.33Å; D343-T416 VanDerWaalsContact CG-C 3.45Å; D343-T416 VanDerWaalsContact CG-CA 3.44Å; D343-T416 WeakPolarHBondContact OD1-CA 3.26Å; L379-T416 HydrophobicContact CD2-CG2 4.42Å; L412-T416 CarbonylContact O-C 3.49Å; L412-T416 VanDerWaalsContact O-C 3.26Å; L412-T416 WeakPolarHBondContact O-CA 3.38Å; L412-T416 PolarHBondContact O-N 3.37Å; L412-T416 PolarHBondContact O-OG1 3.3Å; T416-R418 PolarHBondContact O-N 3.47Å; T416-M420 VanDerWaalsContact O-CB 3.22Å; T416-M420 WeakPolarHBondContact O-CB 3.44Å; T416-M420 WeakPolarHBondContact O-CG 3.47Å; T416-M420 PolarHBondContact O-N 2.91Å
417P91.8Very high93.5Very high26 Ų2647.2 Ų47.217%0.16921%0.211CC..Hα-helixtrans-58.2-49.8-175.320.7-31000112.6D343 Y413 K415 K419 M420 F421 A458D343-P417 WeakPolarHBondContact OD2-CD 3.4Å; D343-P417 WeakPolarHBondContact OD2-CG 3.26Å; Y413-P417 WeakPolarHBondContact O-CB 3.44Å; K415-P417 WeakPolarHBondContact O-CD 3.41Å; P417-K419 PolarHBondContact O-N 3.34Å; P417-M420 PolarHBondContact O-N 3.08Å; P417-F421 WeakPolarHBondContact O-CD2 3.39Å; P417-F421 PolarHBondContact O-N 3.46Å; P417-A458 HydrophobicContact CB-CB 3.84Å
418R88.9Confident93.3Very high158 Ų15843.1 Ų43.160%0.59619%0.193SC*.Hα-helixtrans-59.3-46.5-174-65.4174.1179.1178.41.6111.8D343 T416 A458D343-R418 WeakPolarHBondContact OD1-CB 2.99Å; D343-R418 PolarHBondContact OD1-N 3.23Å; D343-R418 WeakPolarHBondContact OD2-CB 3.44Å; D343-R418 VanDerWaalsContact OD2-CG 3.28Å; D343-R418 WeakPolarHBondContact OD2-CG 3.42Å; D343-R418 PolarHBondContact OD2-N 3.28Å; T416-R418 PolarHBondContact O-N 3.47Å; R418-A458 HydrophobicContact CG-CB 4.46Å
419K90.6Very high93Very high43 Ų4346.8 Ų46.819%0.18722%0.217CC..Hα-helixtrans-70.2-40.3178.5-64.4-177.3-177.6168.50111.6D342 D343 E344 L381 P417 F421 R422 H423D342-K419 WeakPolarHBondContact O-CD 3.4Å; D342-K419 WeakPolarHBondContact O-CE 3.18Å; D342-K419 PolarHBondContact O-NZ 2.92Å; D343-K419 PolarHBondContact OD1-N 2.73Å; E344-K419 VanDerWaalsContact O-CE 3.23Å; E344-K419 WeakPolarHBondContact O-CE 3.31Å; E344-K419 PolarHBondContact O-NZ 3.42Å; L381-K419 HydrophobicContact CD2-CB 3.4Å; L381-K419 VanDerWaalsContact CD2-CB 3.4Å; P417-K419 PolarHBondContact O-N 3.34Å; K419-F421 VanDerWaalsContact C-N 3.3Å; K419-F421 PolarHBondContact O-N 2.65Å; K419-R422 WeakPolarHBondContact O-CB 3.09Å; K419-R422 PolarHBondContact O-N 3.4Å; K419-R422 VanDerWaalsContact O-N 3.15Å; K419-H423 PolarHBondContact O-CD2 2.79Å
420M93.4Very high92.8Very high0 Ų048 Ų480%022%0.223CC..Hα-helixtrans-62.2-34176.6-78.7-63.1-62.900113.4L381 V385 L409 L412 Y413 T416 P417 R422 H423 T424 L427L381-M420 HydrophobicContact CD1-CG 4.49Å; L381-M420 HydrophobicContact CD1-SD 3.8Å; L381-M420 HydrophobicContact CD2-CG 4.25Å; L381-M420 HydrophobicContact CD2-SD 4.04Å; L381-M420 HydrophobicContact CG-SD 4.15Å; V385-M420 HydrophobicContact CG2-CE 4.15Å; V385-M420 HydrophobicContact CG2-SD 3.7Å; L409-M420 HydrophobicContact CD2-CE 4.1Å; L412-M420 HydrophobicContact CB-CE 4.11Å; L412-M420 HydrophobicContact CB-CG 3.75Å; L412-M420 HydrophobicContact CB-SD 3.71Å; L412-M420 HydrophobicContact CD1-SD 4.05Å; L412-M420 HydrophobicContact CG-SD 4.46Å; Y413-M420 HydrophobicContact CD1-CB 3.8Å; Y413-M420 HydrophobicContact CD2-CE 4.03Å; Y413-M420 HydrophobicContact CE1-CB 3.72Å; Y413-M420 HydrophobicContact CE1-CE 4.33Å; Y413-M420 HydrophobicContact CE2-CE 3.62Å; Y413-M420 HydrophobicContact CG-CB 4.42Å; T416-M420 VanDerWaalsContact O-CB 3.22Å; T416-M420 WeakPolarHBondContact O-CB 3.44Å; T416-M420 WeakPolarHBondContact O-CG 3.47Å; T416-M420 PolarHBondContact O-N 2.91Å; P417-M420 PolarHBondContact O-N 3.08Å; M420-R422 PolarHBondContact O-N 3.05Å; M420-H423 PolarHBondContact O-N 3.24Å; M420-T424 PolarHBondContact O-N 3.41Å; M420-T424 PolarHBondContact O-OG1 3.46Å; M420-L427 HydrophobicContact CE-CD1 3.82Å
421F91.5Very high92.8Very high24 Ų2444.2 Ų44.211%0.10521%0.208CC..Hα-helixtrans-61.7-23.1177.2-91.2-78.7000113.6Y413 P417 K419 H423 T424 I453 S456 A458 Y507Y413-F421 HydrophobicContact CD1-CE2 4.46Å; P417-F421 WeakPolarHBondContact O-CD2 3.39Å; P417-F421 PolarHBondContact O-N 3.46Å; K419-F421 VanDerWaalsContact C-N 3.3Å; K419-F421 PolarHBondContact O-N 2.65Å; F421-H423 PolarHBondContact O-N 3.28Å; F421-T424 WeakPolarHBondContact CA-OG1 3.43Å; F421-T424 PolarHBondContact O-N 3.04Å; F421-I453 HydrophobicContact CE1-CG2 4.26Å; F421-I453 HydrophobicContact CZ-CG2 4.46Å; F421-S456 WeakPolarHBondContact CE2-OG 3.39Å; F421-A458 HydrophobicContact CD2-CB 3.49Å; F421-A458 VanDerWaalsContact CD2-CB 3.49Å; F421-A458 HydrophobicContact CE2-CB 3.72Å; F421-A458 HydrophobicContact CG-CB 4.46Å; F421-Y507 HydrophobicContact CD1-CD2 4.32Å; F421-Y507 AromaticContact CD1-CE2 3.93Å; F421-Y507 HydrophobicContact CD1-CE2 3.93Å; F421-Y507 AromaticContact CE1-CD2 3.82Å; F421-Y507 HydrophobicContact CE1-CD2 3.82Å; F421-Y507 AromaticContact CE1-CE2 3.91Å; F421-Y507 HydrophobicContact CE1-CE2 3.91Å; F421-Y507 HydrophobicContact CE1-CG 4.46Å
422R90.9Very high92.6Very high163 Ų16343.2 Ų43.262%0.61520%0.204SC*.THydrogen-bonded Turntrans-67-22.8171.8-56.3-176.9-177.3166.66.9112.9D345 K419 M420D345-R422 IonicContact OD1-CZ 3.82Å; D345-R422 IonicContact OD1-NH1 2.9Å; D345-R422 IonicContact OD1-NH2 3.98Å; D345-R422 PolarHBondContact OD1-NH2 3.33Å; D345-R422 IonicContact OD2-NH2 3.48Å; D345-R422 PolarHBondContact OD2-NH2 3.11Å; K419-R422 WeakPolarHBondContact O-CB 3.09Å; K419-R422 PolarHBondContact O-N 3.4Å; K419-R422 VanDerWaalsContact O-N 3.15Å; M420-R422 PolarHBondContact O-N 3.05Å
423H92Very high92.5Very high33 Ų3348.8 Ų48.815%0.15323%0.228CC..THydrogen-bonded Turntrans-102.6-10.9179.4-56.4-70.9000113.9D382 V385 K419 M420 F421 D425 N426 L427D382-H423 IonicContact OD1-CE1 2.99Å; D382-H423 PolarHBondContact OD1-CE1 3.46Å; D382-H423 IonicContact OD1-NE2 3.47Å; D382-H423 PolarHBondContact OD1-NE2 3.39Å; D382-H423 VanDerWaalsContact OD1-NE2 3.15Å; V385-H423 HydrophobicContact CG1-CB 3.98Å; K419-H423 PolarHBondContact O-CD2 2.79Å; M420-H423 PolarHBondContact O-N 3.24Å; F421-H423 PolarHBondContact O-N 3.28Å; H423-D425 VanDerWaalsContact C-N 3.29Å; H423-D425 PolarHBondContact O-N 3.37Å; H423-N426 PolarHBondContact O-N 2.99Å; H423-N426 VanDerWaalsContact O-N 3.07Å; H423-L427 HydrophobicContact CB-CD1 4.19Å; H423-L427 PolarHBondContact O-N 2.98Å
424T92.5Very high92.4Very high0 Ų049.5 Ų49.50%023%0.232CC..Hα-helixtrans-56.7-39.7-173.2-63.70000112.6Y413 M420 F421 N426 L427 F428 I453 Y507Y413-T424 WeakPolarHBondContact CE1-OG1 3.34Å; Y413-T424 WeakPolarHBondContact OH-CA 3.36Å; Y413-T424 PolarHBondContact OH-OG1 3.19Å; M420-T424 PolarHBondContact O-N 3.41Å; M420-T424 PolarHBondContact O-OG1 3.46Å; F421-T424 WeakPolarHBondContact CA-OG1 3.43Å; F421-T424 PolarHBondContact O-N 3.04Å; T424-N426 PolarHBondContact O-N 3.37Å; T424-L427 PolarHBondContact O-N 3.31Å; T424-L427 VanDerWaalsContact O-N 3.14Å; T424-F428 HydrophobicContact CG2-CB 4.36Å; T424-F428 WeakPolarHBondContact O-CB 3.49Å; T424-F428 PolarHBondContact O-N 3.27Å; T424-I453 HydrophobicContact CG2-CD1 4.48Å; T424-I453 HydrophobicContact CG2-CG2 3.89Å; T424-Y507 HydrophobicContact CG2-CD1 3.95Å; T424-Y507 HydrophobicContact CG2-CE1 3.44Å; T424-Y507 VanDerWaalsContact CG2-CE1 3.44Å
425D90Very high92.4Very high89 Ų8946.2 Ų46.248%0.47622%0.216SC..Hα-helixtrans-62.7-28.2-178.9-79.7-41.2000113.7H423 P429 Y507 K510H423-D425 VanDerWaalsContact C-N 3.29Å; H423-D425 PolarHBondContact O-N 3.37Å; D425-P429 WeakPolarHBondContact O-CD 3.33Å; D425-Y507 PolarHBondContact OD1-OH 3.1Å; D425-K510 IonicContact OD1-NZ 3.44Å; D425-K510 PolarHBondContact OD1-NZ 3.28Å
426N90.9Very high92.3Very high116 Ų11645.4 Ų45.462%0.6222%0.218SC*.Hα-helixtrans-82.6-35.3174.9-68-28.4000112.3H423 T424H423-N426 PolarHBondContact O-N 2.99Å; H423-N426 VanDerWaalsContact O-N 3.07Å; T424-N426 PolarHBondContact O-N 3.37Å
427L93.6Very high92.3Very high1 Ų146.8 Ų46.81%0.00523%0.225CC..Hα-helixtrans-78.3-35.9-178.3-69.8171.4000112.6V385 N389 L409 M420 H423 T424 I430 L431V385-L427 HydrophobicContact CG1-CD1 3.97Å; V385-L427 HydrophobicContact CG1-CD2 4.05Å; V385-L427 HydrophobicContact CG1-CG 4.18Å; N389-L427 HydrophobicContact CB-CD2 4.19Å; L409-L427 HydrophobicContact CD2-CD1 4Å; L409-L427 HydrophobicContact CD2-CD2 4.33Å; M420-L427 HydrophobicContact CE-CD1 3.82Å; H423-L427 HydrophobicContact CB-CD1 4.19Å; H423-L427 PolarHBondContact O-N 2.98Å; T424-L427 PolarHBondContact O-N 3.31Å; T424-L427 VanDerWaalsContact O-N 3.14Å; L427-I430 WeakPolarHBondContact O-CA 3.24Å; L427-I430 WeakPolarHBondContact O-CB 3.34Å; L427-I430 PolarHBondContact O-N 3.16Å; L427-L431 HydrophobicContact CB-CD1 4.49Å; L427-L431 WeakPolarHBondContact O-CG 3.23Å; L427-L431 PolarHBondContact O-N 3.29Å
428F92.9Very high92.3Very high5 Ų554 Ų542%0.02226%0.257CS..Hα-helixtrans-60.1-44.4-170.3-168.4-101000114.2T424 I430 L431 L432 L450 I453 Y507 K510 F511T424-F428 HydrophobicContact CG2-CB 4.36Å; T424-F428 WeakPolarHBondContact O-CB 3.49Å; T424-F428 PolarHBondContact O-N 3.27Å; F428-I430 PolarHBondContact O-N 3.3Å; F428-L431 PolarHBondContact O-N 2.86Å; F428-L432 HydrophobicContact CD1-CD1 3.71Å; F428-L432 HydrophobicContact CD1-CG 4.36Å; F428-L432 HydrophobicContact CE1-CD1 3.59Å; F428-L432 HydrophobicContact CE1-CG 4.25Å; F428-L432 HydrophobicContact CZ-CD1 4.4Å; F428-L432 WeakPolarHBondContact O-CB 3.44Å; F428-L432 VanDerWaalsContact O-CG 3.32Å; F428-L432 WeakPolarHBondContact O-CG 3.47Å; F428-L432 PolarHBondContact O-N 2.97Å; F428-L450 HydrophobicContact CD2-CD2 3.98Å; F428-L450 HydrophobicContact CE2-CD2 3.82Å; F428-I453 HydrophobicContact CD2-CG2 4.48Å; F428-Y507 HydrophobicContact CD2-CD1 4.45Å; F428-Y507 HydrophobicContact CE2-CD1 4.41Å; F428-K510 HydrophobicContact CE1-CD 4.37Å; F428-K510 HydrophobicContact CE1-CG 4Å; F428-K510 HydrophobicContact CZ-CG 4.42Å; F428-F511 HydrophobicContact CE2-CB 4.25Å; F428-F511 HydrophobicContact CZ-CB 3.78Å; F428-F511 HydrophobicContact CZ-CD2 4.42Å; F428-F511 HydrophobicContact CZ-CG 4.47Å
429P93.1Very high92.5Very high76 Ų7647.5 Ų47.549%0.49424%0.236SC..Hα-helixtrans-61.8-30174.4-22.734.9000113.3D425 K433D425-P429 WeakPolarHBondContact O-CD 3.33Å; P429-K433 PolarHBondContact O-N 3.22Å; P429-K433 VanDerWaalsContact O-N 3.09Å
430I93.3Very high92.6Very high27 Ų2748.6 Ų48.614%0.13824%0.243CC..Hα-helixtrans-79.6-44.7-176.4-62.3173.5000109.7N389 L392 L427 F428 L432 K433 T434N389-I430 WeakPolarHBondContact OD1-CD1 3.18Å; L392-I430 HydrophobicContact CB-CG2 3.94Å; L427-I430 WeakPolarHBondContact O-CA 3.24Å; L427-I430 WeakPolarHBondContact O-CB 3.34Å; L427-I430 PolarHBondContact O-N 3.16Å; F428-I430 PolarHBondContact O-N 3.3Å; I430-L432 VanDerWaalsContact C-N 3.31Å; I430-L432 PolarHBondContact O-N 3.23Å; I430-K433 WeakPolarHBondContact O-CA 3.34Å; I430-K433 WeakPolarHBondContact O-CB 3.42Å; I430-K433 PolarHBondContact O-N 3.46Å; I430-T434 PolarHBondContact O-N 3.27Å; I430-T434 PolarHBondContact O-OG1 3.32Å
431L95.6Very high92.7Very high1 Ų152.9 Ų52.91%0.00526%0.263CS..Hα-helixtrans-55.3-48.1169.2-63.6170.7000110.6L392 L406 L409 L427 F428 K433 T434 L435 D446 V449 L450 I453L392-L431 HydrophobicContact CD1-CD2 4.36Å; L406-L431 HydrophobicContact CD2-CD2 3.87Å; L409-L431 HydrophobicContact CD1-CD2 3.94Å; L427-L431 HydrophobicContact CB-CD1 4.49Å; L427-L431 WeakPolarHBondContact O-CG 3.23Å; L427-L431 PolarHBondContact O-N 3.29Å; F428-L431 PolarHBondContact O-N 2.86Å; L431-K433 PolarHBondContact O-N 3.31Å; L431-K433 VanDerWaalsContact O-N 3.16Å; L431-T434 WeakPolarHBondContact O-CA 3.46Å; L431-T434 VanDerWaalsContact O-CB 3.26Å; L431-T434 WeakPolarHBondContact O-CB 3.32Å; L431-T434 PolarHBondContact O-N 3.42Å; L431-L435 PolarHBondContact O-N 3.24Å; L431-D446 WeakPolarHBondContact CA-OD1 3.38Å; L431-D446 WeakPolarHBondContact CB-OD1 3.35Å; L431-D446 WeakPolarHBondContact CD2-OD1 3.17Å; L431-V449 HydrophobicContact CD1-CG1 3.78Å; L431-V449 HydrophobicContact CD2-CG1 4.1Å; L431-L450 HydrophobicContact CB-CD1 4.38Å; L431-L450 HydrophobicContact CB-CD2 3.79Å; L431-L450 HydrophobicContact CB-CG 4.09Å; L431-L450 HydrophobicContact CD1-CD2 4.1Å; L431-I453 HydrophobicContact CD1-CD1 3.58Å
432L93.1Very high92.9Very high13 Ų1351.7 Ų51.77%0.06826%0.258CS..Hα-helixtrans-56.2-37.7175-75.9170.8000112.9F428 I430 L435 F511 N514 R518F428-L432 HydrophobicContact CD1-CD1 3.71Å; F428-L432 HydrophobicContact CD1-CG 4.36Å; F428-L432 HydrophobicContact CE1-CD1 3.59Å; F428-L432 HydrophobicContact CE1-CG 4.25Å; F428-L432 HydrophobicContact CZ-CD1 4.4Å; F428-L432 WeakPolarHBondContact O-CB 3.44Å; F428-L432 VanDerWaalsContact O-CG 3.32Å; F428-L432 WeakPolarHBondContact O-CG 3.47Å; F428-L432 PolarHBondContact O-N 2.97Å; I430-L432 VanDerWaalsContact C-N 3.31Å; I430-L432 PolarHBondContact O-N 3.23Å; L432-L435 HydrophobicContact CD2-CD1 4.34Å; L432-F511 HydrophobicContact CD2-CD2 3.91Å; L432-F511 HydrophobicContact CD2-CE2 4.03Å; L432-N514 HydrophobicContact CD1-CB 3.5Å; L432-N514 HydrophobicContact CD2-CB 4.17Å; L432-R518 WeakPolarHBondContact O-CD 3.36Å; L432-R518 PolarHBondContact O-NE 3.42Å; L432-R518 VanDerWaalsContact O-NE 3.14Å; L432-R518 PolarHBondContact O-NH1 3.23Å
433K92.6Very high93.2Very high118 Ų11844 Ų4451%0.51323%0.229SC..Hα-helixtrans-66.3-39.7174.9-173.2-173.6173.2-168.10111.7P429 I430 L431 L435 S436 R518P429-K433 PolarHBondContact O-N 3.22Å; P429-K433 VanDerWaalsContact O-N 3.09Å; I430-K433 WeakPolarHBondContact O-CA 3.34Å; I430-K433 WeakPolarHBondContact O-CB 3.42Å; I430-K433 PolarHBondContact O-N 3.46Å; L431-K433 PolarHBondContact O-N 3.31Å; L431-K433 VanDerWaalsContact O-N 3.16Å; K433-L435 PolarHBondContact O-N 2.99Å; K433-S436 PolarHBondContact O-N 2.86Å; K433-R518 VanDerWaalsContact CA-CZ 3.5Å; K433-R518 PolarHBondContact O-NH1 3.1Å; K433-R518 PolarHBondContact O-NH2 2.87Å
434T94Very high93.4Very high14 Ų1444.7 Ų44.79%0.08623%0.234CC..Hα-helixtrans-59.8-23.4179-52.20000113.1L406 I430 L431 S436 D437 V442 D446L406-T434 HydrophobicContact CD1-CG2 4.37Å; I430-T434 PolarHBondContact O-N 3.27Å; I430-T434 PolarHBondContact O-OG1 3.32Å; L431-T434 WeakPolarHBondContact O-CA 3.46Å; L431-T434 VanDerWaalsContact O-CB 3.26Å; L431-T434 WeakPolarHBondContact O-CB 3.32Å; L431-T434 PolarHBondContact O-N 3.42Å; T434-S436 PolarHBondContact O-N 3.29Å; T434-D437 VanDerWaalsContact O-CB 3.25Å; T434-D437 WeakPolarHBondContact O-CB 3.42Å; T434-D437 PolarHBondContact O-N 3.41Å; T434-V442 HydrophobicContact CG2-CG1 3.7Å; T434-D446 HydrophobicContact CG2-CB 3.96Å
435L93.4Very high93.6Very high0 Ų046.7 Ų46.70%024%0.243CC..THydrogen-bonded Turntrans-60.5-13171.7-62.4177.7000114.6L431 L432 K433 I443 D446 L447 L450 F511 L515 L525L431-L435 PolarHBondContact O-N 3.24Å; L432-L435 HydrophobicContact CD2-CD1 4.34Å; K433-L435 PolarHBondContact O-N 2.99Å; L435-I443 HydrophobicContact CD2-CG2 4.23Å; L435-D446 WeakPolarHBondContact CD2-OD2 3.43Å; L435-D446 WeakPolarHBondContact CG-OD2 3.32Å; L435-L447 HydrophobicContact CD2-CD2 3.45Å; L435-L447 VanDerWaalsContact CD2-CD2 3.45Å; L435-L447 HydrophobicContact CD2-CG 3.84Å; L435-L450 HydrophobicContact CD1-CD1 4.06Å; L435-L450 HydrophobicContact CD2-CD1 4.06Å; L435-L450 HydrophobicContact CG-CD1 4.15Å; L435-F511 HydrophobicContact CD1-CE2 4.34Å; L435-L515 HydrophobicContact CD1-CD1 3.81Å; L435-L525 WeakPolarHBondContact O-CD1 3.44Å
436S91.6Very high94Very high46 Ų4642.4 Ų42.432%0.32222%0.22SC..THydrogen-bonded Turntrans-9914.2171.4-62.30000113.8K433 T434 R518K433-S436 PolarHBondContact O-N 2.86Å; T434-S436 PolarHBondContact O-N 3.29Å; S436-R518 PolarHBondContact OG-NH1 3.16Å; S436-R518 PolarHBondContact OG-NH2 3.04Å
437D92.6Very high94.3Very high30 Ų3036.9 Ų36.916%0.1619%0.19CC..  trans-60.4152.3175-161.8-73.1000110.7R402 T434 S439 V442 I443R402-D437 IonicContact CZ-OD1 2.94Å; R402-D437 IonicContact CZ-OD2 2.8Å; R402-D437 VanDerWaalsContact CZ-OD2 3.27Å; R402-D437 IonicContact NE-OD2 2.7Å; R402-D437 PolarHBondContact NE-OD2 3.23Å; R402-D437 IonicContact NH2-OD1 3.08Å; R402-D437 PolarHBondContact NH2-OD1 2.87Å; R402-D437 IonicContact NH2-OD2 3.41Å; R402-D437 PolarHBondContact NH2-OD2 3.46Å; T434-D437 VanDerWaalsContact O-CB 3.25Å; T434-D437 WeakPolarHBondContact O-CB 3.42Å; T434-D437 PolarHBondContact O-N 3.41Å; D437-S439 VanDerWaalsContact C-N 3.29Å; D437-S439 PolarHBondContact O-N 3.33Å; D437-S439 PolarHBondContact OD1-N 3.49Å; D437-V442 HydrophobicContact CB-CB 4.18Å; D437-V442 HydrophobicContact CB-CG1 3.92Å; D437-I443 HydrophobicContact CB-CG1 4.34Å; D437-I443 WeakPolarHBondContact O-CD1 3.3Å
438E91.1Very high94.4Very high176 Ų17638.6 Ų38.682%0.82220%0.198SC*.SBendtrans-70.4-29.8179.1-62.1-177.3166.500111.6R529E438-R529 PolarHBondContact O-NH2 2.96Å
439S93.4Very high94.6Very high22 Ų2238.4 Ų38.415%0.15420%0.197CC..  trans-91125.8-176178.80000113.1M399 D437 E441 V442 I443M399-S439 PolarHBondContact SD-OG 3.21Å; M399-S439 VanDerWaalsContact SD-OG 3.37Å; D437-S439 VanDerWaalsContact C-N 3.29Å; D437-S439 PolarHBondContact O-N 3.33Å; D437-S439 PolarHBondContact OD1-N 3.49Å; S439-E441 VanDerWaalsContact C-N 3.26Å; S439-E441 PolarHBondContact O-N 2.86Å; S439-E441 PolarHBondContact OG-N 3.18Å; S439-V442 PolarHBondContact O-N 3.36Å; S439-I443 WeakPolarHBondContact O-CG1 3.44Å; S439-I443 PolarHBondContact O-N 3.34Å; S439-I443 VanDerWaalsContact O-N 3.16Å
440D94.1Very high94.8Very high66 Ų6634.8 Ų34.835%0.35317%0.174SC..Hα-helixtrans-63.5-30.9175.3-71.6-35.7000112.9I443 L444 R529 F532D440-I443 PolarHBondContact O-N 3.06Å; D440-L444 WeakPolarHBondContact O-CB 3.39Å; D440-L444 PolarHBondContact O-N 2.92Å; D440-R529 IonicContact OD1-CZ 3.59Å; D440-R529 IonicContact OD1-NE 3.47Å; D440-R529 PolarHBondContact OD1-NE 3.14Å; D440-R529 IonicContact OD1-NH1 3.75Å; D440-R529 PolarHBondContact OD1-NH1 3.25Å; D440-R529 IonicContact OD1-NH2 3.34Å; D440-R529 PolarHBondContact OD1-NH2 2.77Å; D440-R529 IonicContact OD2-CZ 3.59Å; D440-R529 IonicContact OD2-NH1 3.25Å; D440-R529 PolarHBondContact OD2-NH1 2.95Å; D440-R529 IonicContact OD2-NH2 2.76Å; D440-F532 HydrophobicContact CB-CZ 4.44Å
441E95.2Very high94.8Very high90 Ų9033.7 Ų33.742%0.42117%0.169SC..Hα-helixtrans-69.2-37.1177.9-168.6178175.600111.5I403 S439 L444 K445I403-E441 HydrophobicContact CD1-CB 4.13Å; I403-E441 VanDerWaalsContact CD1-CD 3.44Å; I403-E441 HydrophobicContact CD1-CG 3.75Å; I403-E441 HydrophobicContact CG1-CG 4.3Å; S439-E441 VanDerWaalsContact C-N 3.26Å; S439-E441 PolarHBondContact O-N 2.86Å; S439-E441 PolarHBondContact OG-N 3.18Å; E441-L444 PolarHBondContact O-N 3.43Å; E441-K445 WeakPolarHBondContact O-CG 2.85Å; E441-K445 PolarHBondContact O-N 2.99Å; E441-K445 VanDerWaalsContact O-N 3.13Å
442V95.8Very high94.8Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-65.6-47.7174.9178.50000109.8M399 R402 I403 L406 T434 D437 S439 L444 K445 D446M399-V442 HydrophobicContact CG-CG2 4.04Å; R402-V442 HydrophobicContact CB-CG1 4.44Å; R402-V442 HydrophobicContact CB-CG2 4.35Å; I403-V442 HydrophobicContact CD1-CG2 4.45Å; I403-V442 HydrophobicContact CG1-CG2 3.88Å; L406-V442 HydrophobicContact CD1-CG1 3.72Å; L406-V442 VanDerWaalsContact CD1-O 3.29Å; L406-V442 WeakPolarHBondContact CD1-O 3.36Å; T434-V442 HydrophobicContact CG2-CG1 3.7Å; D437-V442 HydrophobicContact CB-CB 4.18Å; D437-V442 HydrophobicContact CB-CG1 3.92Å; S439-V442 PolarHBondContact O-N 3.36Å; V442-L444 VanDerWaalsContact C-N 3.31Å; V442-L444 PolarHBondContact O-N 3.36Å; V442-K445 PolarHBondContact O-N 3.08Å; V442-D446 WeakPolarHBondContact O-CB 3.22Å; V442-D446 PolarHBondContact O-N 3.24Å
443I95.8Very high94.8Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-58.8-44.3177.1-63.1170.8000110.7L435 D437 S439 D440 K445 D446 L447 F532 I533L435-I443 HydrophobicContact CD2-CG2 4.23Å; D437-I443 HydrophobicContact CB-CG1 4.34Å; D437-I443 WeakPolarHBondContact O-CD1 3.3Å; S439-I443 WeakPolarHBondContact O-CG1 3.44Å; S439-I443 PolarHBondContact O-N 3.34Å; S439-I443 VanDerWaalsContact O-N 3.16Å; D440-I443 PolarHBondContact O-N 3.06Å; I443-K445 VanDerWaalsContact C-N 3.34Å; I443-K445 PolarHBondContact O-N 3.42Å; I443-D446 PolarHBondContact O-N 3.13Å; I443-L447 HydrophobicContact CG2-CD1 3.94Å; I443-L447 HydrophobicContact CG2-CG 4.25Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.47Å; I443-L447 PolarHBondContact O-N 3.4Å; I443-F532 HydrophobicContact CB-CE1 4.31Å; I443-F532 HydrophobicContact CG2-CD1 4.41Å; I443-F532 HydrophobicContact CG2-CE1 3.93Å; I443-I533 HydrophobicContact CG2-CG1 4.11Å
444L96.6Very high94.7Very high49 Ų4929.6 Ų29.626%0.25715%0.151SC..Hα-helixtrans-60.4-43.8-179.9-174.8148.2000111.6D440 E441 V442 L447 E448D440-L444 WeakPolarHBondContact O-CB 3.39Å; D440-L444 PolarHBondContact O-N 2.92Å; E441-L444 PolarHBondContact O-N 3.43Å; V442-L444 VanDerWaalsContact C-N 3.31Å; V442-L444 PolarHBondContact O-N 3.36Å; L444-L447 PolarHBondContact O-N 3.3Å; L444-E448 VanDerWaalsContact CD2-OE1 3.24Å; L444-E448 WeakPolarHBondContact CD2-OE1 3.41Å; L444-E448 PolarHBondContact O-N 3.37Å; L444-E448 VanDerWaalsContact O-N 3.14Å
445K97.6Very high94.5Very high41 Ų4131.1 Ų31.118%0.17816%0.163CC..Hα-helixtrans-69.6-33.6176.3-67.2-49.5-177.2-170.30113.5I403 L406 E441 V442 I443 E448 V449I403-K445 HydrophobicContact CG2-CG 4.32Å; L406-K445 HydrophobicContact CB-CB 3.85Å; L406-K445 HydrophobicContact CD1-CB 3.93Å; E441-K445 WeakPolarHBondContact O-CG 2.85Å; E441-K445 PolarHBondContact O-N 2.99Å; E441-K445 VanDerWaalsContact O-N 3.13Å; V442-K445 PolarHBondContact O-N 3.08Å; I443-K445 VanDerWaalsContact C-N 3.34Å; I443-K445 PolarHBondContact O-N 3.42Å; K445-E448 WeakPolarHBondContact CD-OE2 3.41Å; K445-E448 IonicContact NZ-OE1 3.17Å; K445-E448 PolarHBondContact NZ-OE1 3.46Å; K445-E448 IonicContact NZ-OE2 3.89Å; K445-E448 PolarHBondContact NZ-OE2 2.95Å; K445-E448 PolarHBondContact O-N 3.25Å; K445-V449 WeakPolarHBondContact O-CG2 3.26Å; K445-V449 PolarHBondContact O-N 2.89Å
446D97.8Very high94.2Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-66.7-39.8174.6-173.265.6000111.6L406 L431 T434 L435 V442 I443 E448 V449 L450L406-D446 HydrophobicContact CD1-CB 4Å; L406-D446 HydrophobicContact CD2-CB 4.12Å; L431-D446 WeakPolarHBondContact CA-OD1 3.38Å; L431-D446 WeakPolarHBondContact CB-OD1 3.35Å; L431-D446 WeakPolarHBondContact CD2-OD1 3.17Å; T434-D446 HydrophobicContact CG2-CB 3.96Å; L435-D446 WeakPolarHBondContact CD2-OD2 3.43Å; L435-D446 WeakPolarHBondContact CG-OD2 3.32Å; V442-D446 WeakPolarHBondContact O-CB 3.22Å; V442-D446 PolarHBondContact O-N 3.24Å; I443-D446 PolarHBondContact O-N 3.13Å; D446-E448 PolarHBondContact O-N 3.42Å; D446-V449 WeakPolarHBondContact O-CB 3.43Å; D446-V449 PolarHBondContact O-N 3.1Å; D446-L450 WeakPolarHBondContact O-CG 3.47Å; D446-L450 PolarHBondContact O-N 3.09Å; D446-L450 WeakPolarHBondContact OD2-CD1 3.02Å
447L96.9Very high93.8Very high0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-65.2-35.6174.5-69.4173.4000112.9L435 I443 L444 V449 L450 A451 F511 I533 Q536 L537 L540L435-L447 HydrophobicContact CD2-CD2 3.45Å; L435-L447 VanDerWaalsContact CD2-CD2 3.45Å; L435-L447 HydrophobicContact CD2-CG 3.84Å; I443-L447 HydrophobicContact CG2-CD1 3.94Å; I443-L447 HydrophobicContact CG2-CG 4.25Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.47Å; I443-L447 PolarHBondContact O-N 3.4Å; L444-L447 PolarHBondContact O-N 3.3Å; L447-V449 VanDerWaalsContact C-N 3.33Å; L447-L450 PolarHBondContact O-N 2.58Å; L447-A451 WeakPolarHBondContact O-CB 3.45Å; L447-A451 PolarHBondContact O-N 3.11Å; L447-F511 HydrophobicContact CD2-CZ 4.38Å; L447-I533 HydrophobicContact CD1-CB 4.44Å; L447-I533 HydrophobicContact CD1-CG1 4.39Å; L447-I533 HydrophobicContact CD1-CG2 4.27Å; L447-I533 HydrophobicContact CD2-CG2 3.95Å; L447-Q536 HydrophobicContact CD1-CB 3.88Å; L447-Q536 HydrophobicContact CD1-CG 3.91Å; L447-L537 HydrophobicContact CD2-CD1 4.38Å; L447-L537 HydrophobicContact CD2-CD2 3.76Å; L447-L537 HydrophobicContact CD2-CG 3.99Å; L447-L540 HydrophobicContact CB-CD1 3.97Å
448E96.8Very high93.2Very high37 Ų3734 Ų3417%0.17319%0.185CC..Hα-helixtrans-59.5-44.1171.6-72.9172.8-167.700111.1Y410 L444 K445 D446 E452 L540Y410-E448 HydrophobicContact CD2-CB 4.12Å; Y410-E448 HydrophobicContact CE2-CB 4.17Å; L444-E448 VanDerWaalsContact CD2-OE1 3.24Å; L444-E448 WeakPolarHBondContact CD2-OE1 3.41Å; L444-E448 PolarHBondContact O-N 3.37Å; L444-E448 VanDerWaalsContact O-N 3.14Å; K445-E448 WeakPolarHBondContact CD-OE2 3.41Å; K445-E448 IonicContact NZ-OE1 3.17Å; K445-E448 PolarHBondContact NZ-OE1 3.46Å; K445-E448 IonicContact NZ-OE2 3.89Å; K445-E448 PolarHBondContact NZ-OE2 2.95Å; K445-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact O-N 3.42Å; E448-E452 WeakPolarHBondContact O-CB 3.35Å; E448-E452 PolarHBondContact O-N 2.84Å; E448-L540 HydrophobicContact CG-CD1 4.27Å; E448-L540 HydrophobicContact CG-CD2 4.08Å
449V97.3Very high92.3Very high0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-64.9-49.5176.8-179.70000111.2L406 L409 Y413 L431 K445 D446 L447 A451 E452 I453L406-V449 HydrophobicContact CB-CG2 4.49Å; L406-V449 HydrophobicContact CD2-CG2 4.49Å; L406-V449 WeakPolarHBondContact O-CG2 3.32Å; L409-V449 HydrophobicContact CB-CG1 4.15Å; L409-V449 HydrophobicContact CB-CG2 4.17Å; Y413-V449 HydrophobicContact CD2-CG1 4Å; Y413-V449 HydrophobicContact CE2-CG1 4.08Å; L431-V449 HydrophobicContact CD1-CG1 3.78Å; L431-V449 HydrophobicContact CD2-CG1 4.1Å; K445-V449 WeakPolarHBondContact O-CG2 3.26Å; K445-V449 PolarHBondContact O-N 2.89Å; D446-V449 WeakPolarHBondContact O-CB 3.43Å; D446-V449 PolarHBondContact O-N 3.1Å; L447-V449 VanDerWaalsContact C-N 3.33Å; V449-A451 VanDerWaalsContact C-N 3.31Å; V449-A451 PolarHBondContact O-N 3.43Å; V449-E452 PolarHBondContact O-N 3.27Å; V449-I453 HydrophobicContact CG1-CD1 3.96Å; V449-I453 WeakPolarHBondContact O-CG1 3.25Å; V449-I453 PolarHBondContact O-N 3.48Å
450L95.8Very high91.2Very high0 Ų029.4 Ų29.40%016%0.162CC..Hα-helixtrans-63.7-36.8-179.5-74.2167.8000112.3F428 L431 L435 D446 L447 A454 F511F428-L450 HydrophobicContact CD2-CD2 3.98Å; F428-L450 HydrophobicContact CE2-CD2 3.82Å; L431-L450 HydrophobicContact CB-CD1 4.38Å; L431-L450 HydrophobicContact CB-CD2 3.79Å; L431-L450 HydrophobicContact CB-CG 4.09Å; L431-L450 HydrophobicContact CD1-CD2 4.1Å; L435-L450 HydrophobicContact CD1-CD1 4.06Å; L435-L450 HydrophobicContact CD2-CD1 4.06Å; L435-L450 HydrophobicContact CG-CD1 4.15Å; D446-L450 WeakPolarHBondContact O-CG 3.47Å; D446-L450 PolarHBondContact O-N 3.09Å; D446-L450 WeakPolarHBondContact OD2-CD1 3.02Å; L447-L450 PolarHBondContact O-N 2.58Å; L450-A454 WeakPolarHBondContact O-CB 3.33Å; L450-A454 PolarHBondContact O-N 3.47Å; L450-F511 HydrophobicContact CB-CE1 4.11Å; L450-F511 HydrophobicContact CB-CE2 4.32Å; L450-F511 HydrophobicContact CB-CZ 3.97Å; L450-F511 HydrophobicContact CD1-CE2 3.8Å; L450-F511 HydrophobicContact CD1-CZ 3.99Å; L450-F511 HydrophobicContact CD2-CD2 4.46Å; L450-F511 HydrophobicContact CD2-CE2 4.47Å; L450-F511 HydrophobicContact CG-CE2 4.44Å
451A93.8Very high89.5Confident4 Ų431.4 Ų31.43%0.03318%0.177CC..Hα-helixtrans-63.8-47173.800000111.1L447 V449 I453 A454 S455 L540 L541L447-A451 WeakPolarHBondContact O-CB 3.45Å; L447-A451 PolarHBondContact O-N 3.11Å; V449-A451 VanDerWaalsContact C-N 3.31Å; V449-A451 PolarHBondContact O-N 3.43Å; A451-I453 VanDerWaalsContact C-N 3.34Å; A451-I453 PolarHBondContact O-N 3Å; A451-A454 PolarHBondContact O-N 3.21Å; A451-S455 PolarHBondContact O-N 3.42Å; A451-S455 PolarHBondContact O-OG 3.42Å; A451-L540 HydrophobicContact CB-CB 3.7Å; A451-L540 HydrophobicContact CB-CD1 4.08Å; A451-L540 HydrophobicContact CB-CG 4.47Å; A451-L541 HydrophobicContact CB-CD1 4.3Å; A451-L541 HydrophobicContact CB-CD2 4.03Å; A451-L541 HydrophobicContact CB-CG 3.95Å
452E94.7Very high86.9Confident45 Ų4533.9 Ų33.921%0.2119%0.193CC..Hα-helixtrans-59.5-44.3177.1-17358.5-140.200111.6Y410 I414 E448 V449 A454 S455 S456Y410-E452 HydrophobicContact CD2-CB 4.12Å; Y410-E452 HydrophobicContact CE2-CB 4.02Å; Y410-E452 HydrophobicContact CE2-CG 4.39Å; I414-E452 HydrophobicContact CG1-CG 4.24Å; E448-E452 WeakPolarHBondContact O-CB 3.35Å; E448-E452 PolarHBondContact O-N 2.84Å; V449-E452 PolarHBondContact O-N 3.27Å; E452-A454 VanDerWaalsContact C-N 3.26Å; E452-A454 PolarHBondContact O-N 2.86Å; E452-S455 PolarHBondContact O-N 3.31Å; E452-S455 PolarHBondContact O-OG 3.09Å; E452-S456 WeakPolarHBondContact O-CB 3.3Å; E452-S456 PolarHBondContact O-N 3.48Å
453I93.2Very high84.2Confident0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-58.4-40174.5-66.9167.1000111.1Y413 F421 T424 F428 L431 V449 A451 N505 Y507Y413-I453 HydrophobicContact CD1-CG1 3.98Å; Y413-I453 HydrophobicContact CD2-CD1 4.29Å; Y413-I453 HydrophobicContact CD2-CG1 4.01Å; Y413-I453 HydrophobicContact CE1-CD1 4.26Å; Y413-I453 HydrophobicContact CE1-CG1 3.71Å; Y413-I453 HydrophobicContact CE2-CD1 3.64Å; Y413-I453 HydrophobicContact CE2-CG1 3.74Å; Y413-I453 HydrophobicContact CG-CG1 4.14Å; F421-I453 HydrophobicContact CE1-CG2 4.26Å; F421-I453 HydrophobicContact CZ-CG2 4.46Å; T424-I453 HydrophobicContact CG2-CD1 4.48Å; T424-I453 HydrophobicContact CG2-CG2 3.89Å; F428-I453 HydrophobicContact CD2-CG2 4.48Å; L431-I453 HydrophobicContact CD1-CD1 3.58Å; V449-I453 HydrophobicContact CG1-CD1 3.96Å; V449-I453 WeakPolarHBondContact O-CG1 3.25Å; V449-I453 PolarHBondContact O-N 3.48Å; A451-I453 VanDerWaalsContact C-N 3.34Å; A451-I453 PolarHBondContact O-N 3Å; I453-N505 PolarHBondContact O-ND2 3.09Å; I453-Y507 HydrophobicContact CG2-CD1 4.19Å; I453-Y507 HydrophobicContact CG2-CG 4.15Å
454A91.3Very high81.1Confident1 Ų147.6 Ų47.61%0.00827%0.272CS..Hα-helixtrans-76.7-27.4-177.400000114L450 A451 E452 N505 F508 L541L450-A454 WeakPolarHBondContact O-CB 3.33Å; L450-A454 PolarHBondContact O-N 3.47Å; A451-A454 PolarHBondContact O-N 3.21Å; E452-A454 VanDerWaalsContact C-N 3.26Å; E452-A454 PolarHBondContact O-N 2.86Å; A454-N505 VanDerWaalsContact O-CG 3.24Å; A454-N505 PolarHBondContact O-ND2 3.13Å; A454-N505 PolarHBondContact O-OD1 3.01Å; A454-N505 VanDerWaalsContact O-OD1 3.08Å; A454-F508 HydrophobicContact CB-CB 4.09Å; A454-F508 HydrophobicContact CB-CD2 4.12Å; A454-L541 HydrophobicContact CB-CD1 4.36Å
455S89.8Confident77.7Confident46 Ų4650.4 Ų50.432%0.32230%0.296SS..Hα-helixtrans-95.6-18.1178.7560000114.1A451 E452A451-S455 PolarHBondContact O-N 3.42Å; A451-S455 PolarHBondContact O-OG 3.42Å; E452-S455 PolarHBondContact O-N 3.31Å; E452-S455 PolarHBondContact O-OG 3.09Å
456S88.3Confident74.7Confident5 Ų554.1 Ų54.14%0.03533%0.327CS..  trans-66.4130.9-172.1-1770000112.7F421 E452 A458 G459 N505F421-S456 WeakPolarHBondContact CE2-OG 3.39Å; E452-S456 WeakPolarHBondContact O-CB 3.3Å; E452-S456 PolarHBondContact O-N 3.48Å; S456-A458 PolarHBondContact O-N 3.3Å; S456-G459 PolarHBondContact O-N 3.11Å; S456-N505 PolarHBondContact O-ND2 3.25Å
457P81.5Confident71.2Confident96 Ų9660.1 Ų60.162%0.62337%0.368SS*.G310 helixtrans-60.8-28.9177.2-24.434.1000114G459 Q460P457-G459 PolarHBondContact O-N 2.93Å; P457-Q460 WeakPolarHBondContact O-CB 3.46Å; P457-Q460 WeakPolarHBondContact O-CG 3.34Å; P457-Q460 PolarHBondContact O-N 3.12Å
458A81.1Confident67.9Low37 Ų3768 Ų6831%0.30641%0.41SS..G310 helixtrans-67.5-14.7-179.600000113.6P417 R418 F421 S456 Q460P417-A458 HydrophobicContact CB-CB 3.84Å; R418-A458 HydrophobicContact CG-CB 4.46Å; F421-A458 HydrophobicContact CD2-CB 3.49Å; F421-A458 VanDerWaalsContact CD2-CB 3.49Å; F421-A458 HydrophobicContact CE2-CB 3.72Å; F421-A458 HydrophobicContact CG-CB 4.46Å; S456-A458 PolarHBondContact O-N 3.3Å; A458-Q460 VanDerWaalsContact C-N 3.29Å
459G71.6Confident64.7Low3 Ų373.5 Ų73.53%0.03144%0.439CS..G310 helixtrans-82.9-0.7172.500000114.2S456 P457 T461 S506S456-G459 PolarHBondContact O-N 3.11Å; P457-G459 PolarHBondContact O-N 2.93Å; G459-T461 PolarHBondContact O-N 3.18Å; G459-S506 PolarHBondContact O-OG 3.25Å
460Q71Confident61.5Low98 Ų9879.7 Ų79.746%0.45848%0.477SS..SBendtrans-73.9106.4171-64.1179.816.500107.5P457 A458 D462 S503 N505P457-Q460 WeakPolarHBondContact O-CB 3.46Å; P457-Q460 WeakPolarHBondContact O-CG 3.34Å; P457-Q460 PolarHBondContact O-N 3.12Å; A458-Q460 VanDerWaalsContact C-N 3.29Å; Q460-D462 PolarHBondContact O-N 3Å; Q460-D462 VanDerWaalsContact O-N 3.08Å; Q460-S503 PolarHBondContact NE2-OG 3.4Å; Q460-N505 HydrophobicContact CG-CB 4.11Å
461T57.4Low58.3Low107 Ų10787.2 Ų87.266%0.65652%0.517SS*.  trans-65.6110.217239.30000107.9G459 Q463G459-T461 PolarHBondContact O-N 3.18Å; T461-Q463 PolarHBondContact O-N 3.33Å; T461-Q463 VanDerWaalsContact O-N 3.08Å
462D41.5Very low55.2Low142 Ų14295 Ų9576%0.75956%0.558SS**  trans-53.4118.3161.4-87.1-30.1000106.6Q460 A464Q460-D462 PolarHBondContact O-N 3Å; Q460-D462 VanDerWaalsContact O-N 3.08Å; D462-A464 PolarHBondContact O-N 3.33Å
463Q37.8Very low52.2Low201 Ų201101.9 Ų101.994%0.93959%0.587SS**SBendtrans-67.766.7165.9-72.4-173.86.100108.9T461T461-Q463 PolarHBondContact O-N 3.33Å; T461-Q463 VanDerWaalsContact O-N 3.08Å
464A31.6Very low49.2Very low88 Ų88109.8 Ų109.873%0.72763%0.628SS**  trans-164.851.3177.400000111.4D462D462-A464 PolarHBondContact O-N 3.33Å
465S26Very low46.2Very low108 Ų108116.3 Ų116.376%0.75567%0.668SS**  trans-151.1103.9156.434.60000110C467S465-C467 PolarHBondContact O-N 3.48Å
466S33.3Very low43.3Very low119 Ų119119.9 Ų119.983%0.83268%0.683SS**  trans-62.4124.1168.855.60000109.8
467C24.9Very low40.3Very low126 Ų126129.1 Ų129.185%0.85172%0.722SS**  trans-144.5114.7153.7-85.30000108.7S465 I469S465-C467 PolarHBondContact O-N 3.48Å; C467-I469 PolarHBondContact O-N 3.41Å
468D26.9Very low37.8Very low165 Ų165130.5 Ų130.588%0.88273%0.729SS**  trans-59.3118172.1-78-48.7000111.3
469I29Very low35.3Very low153 Ų153134.5 Ų134.579%0.78575%0.752SS**  trans-139.1110.7148.7-58.6-176.9000107.8C467 D471C467-I469 PolarHBondContact O-N 3.41Å; I469-D471 PolarHBondContact O-N 2.84Å
470T31.6Very low33.3Very low130 Ų130142.2 Ų142.280%0.79879%0.792SS**  trans-66.2109.8166.545.30000109.6
471D27.6Very low31.3Very low158 Ų158140.3 Ų140.385%0.84580%0.799SS**  trans-153.3123.5149.9-102.1-29000112.3I469 K473I469-D471 PolarHBondContact O-N 2.84Å; D471-K473 PolarHBondContact O-N 3.26Å
472N29.2Very low30Very low168 Ų168141.4 Ų141.490%0.89881%0.808SS**  trans-75.1108.1-179-93.6-34.5000111.3
473K31.6Very low29.2Very low189 Ų189144.4 Ų144.482%0.82281%0.814SS**SBend172.6130126.8-103.5174.9173.6176.60112.6D471D471-K473 PolarHBondContact O-N 3.26Å
474L30.4Very low28.8Very low165 Ų165141 Ų14186%0.86481%0.81SS**  trans69.558161.4-57165.3000116.7
475V28.3Very low28.6Very low139 Ų139140.2 Ų140.284%0.84281%0.81SS**  trans-83.3110.9159.9179.60000108.9K477V475-K477 PolarHBondContact O-N 3.17Å
476L28.8Very low28.8Very low120 Ų120144.8 Ų144.863%0.62882%0.819SS**PPolyproline II helixtrans-63.1116163.8-94.4128.2000108.6V478 I513L476-V478 PolarHBondContact O-N 3.42Å; L476-I513 HydrophobicContact CD1-CD1 4.4Å
477K25.2Very low28.3Very low199 Ų199148 Ų14887%0.86582%0.821SS**PPolyproline II helixtrans-66.6123.8167-83.8-176.5172.3-176.30109.5V475V475-K477 PolarHBondContact O-N 3.17Å
478V30Very low28.9Very low126 Ų126147 Ų14776%0.76481%0.813SS**PPolyproline II helixtrans-63.8142.1163-1800000108.4L476 D480L476-V478 PolarHBondContact O-N 3.42Å; V478-D480 PolarHBondContact O-N 2.84Å
479P28.4Very low28.7Very low121 Ų121145.2 Ų145.279%0.78681%0.808SS**PPolyproline II helixtrans-70.1123.1177.8-12.627.6000111.3
480D27.8Very low28.4Very low164 Ų164144.1 Ų144.188%0.87781%0.809SS**PPolyproline II helixtrans-68.4128.7170.7-84.2-39.1000110.9V478V478-D480 PolarHBondContact O-N 2.84Å
481G30Very low28.1Very low59 Ų59142.7 Ų142.761%0.60881%0.81SS**PPolyproline II helixtrans-72.8161.516500000112.3K483G481-K483 PolarHBondContact O-N 3.41Å
482P29.1Very low28Very low130 Ų130141.2 Ų141.284%0.84481%0.812SS**PPolyproline II helixtrans-72.9128.1-173.429.7-31.9000111.4
483K26.1Very low27.7Very low204 Ų204142.8 Ų142.889%0.88781%0.811SS**PPolyproline II helixtrans-69.4133.8173.7-71.7180175.91770111.5G481G481-K483 PolarHBondContact O-N 3.41Å
484P29.2Very low27.5Very low130 Ų130138.3 Ų138.384%0.84481%0.81SS**PPolyproline II helixtrans-97.4127.7164.933.1-25000111.1
485G27.2Very low27.2Very low71 Ų71138.5 Ų138.573%0.73281%0.808SS**  trans-104.2126.2170.200000112
486Q29.6Very low26.9Very low204 Ų204138.1 Ų138.195%0.95380%0.802SS**  trans70.3118.3150.1-64.9176.7-6.500121.5
487Q23.9Very low26.7Very low187 Ų187138.1 Ų138.187%0.87481%0.811SS**  trans-57.9-174.3173.3-80.1175.7-10.300117.3
488P36.9Very low26.7Very low105 Ų105133.2 Ų133.268%0.68280%0.802SS**  cis-136.8168.4-3131.5-12.9000113.9
489T22Very low26.6Very low127 Ų127133.6 Ų133.678%0.77981%0.807SS**  -176.8126.412643.80000114.1
490T23.9Very low26.7Very low130 Ų130133 Ų13380%0.79881%0.806SS**  trans60.897.2145.162.20000121.8
491A25.6Very low27.3Very low100 Ų100129.6 Ų129.683%0.82679%0.791SS**  44.5110125.200000120.8
492S24.4Very low28.1Very low127 Ų127129.7 Ų129.789%0.88878%0.781SS**  trans-163157131.856.90000111.3
493K23.9Very low29.4Very low201 Ų201127.4 Ų127.487%0.87477%0.768SS**  trans-72.3149.6-159.4-73.6162.6166.7174.50115.6
494A26.9Very low31.4Very low95 Ų95119.6 Ų119.679%0.78574%0.735SS**  trans44.1108.8138.800000119.7
495M23.1Very low34Very low170 Ų170113.7 Ų113.784%0.83770%0.697SS**  trans-171.7139.4131.8-109.8164.177.700111.3
496D22.6Very low36.7Very low131 Ų131113.1 Ų113.170%0.70168%0.681SS**  trans67.990.6157.3-58.3-16.4000120.4S498D496-S498 PolarHBondContact O-N 2.86Å
497S25.2Very low39.5Very low119 Ų119104.5 Ų104.583%0.83264%0.64SS**  trans-51.4112.3146.349.80000111
498S24.3Very low42.8Very low97 Ų9795.7 Ų95.768%0.67860%0.599SS**  trans-69.5141.9163.5-53.50000109.8D496 S500D496-S498 PolarHBondContact O-N 2.86Å; S498-S500 PolarHBondContact O-N 3.21Å
499P29.3Very low45.2Very low133 Ų13396 Ų9686%0.86459%0.588SS**  trans-76.695.2172.830.4-28.7000108.4T501P499-T501 PolarHBondContact O-N 3.48Å
500S30.9Very low48.5Very low110 Ų11093.7 Ų93.777%0.76957%0.567SS**PPolyproline II helixtrans-62131.5175.7-6.50000110.5S498S498-S500 PolarHBondContact O-N 3.21Å
501T40.4Very low51.9Low92 Ų9287.5 Ų87.556%0.56453%0.529SS*.PPolyproline II helixtrans-50.4139.7165.241.80000110P499 S503P499-T501 PolarHBondContact O-N 3.48Å; T501-S503 PolarHBondContact O-N 2.87Å; T501-S503 VanDerWaalsContact O-N 3.14Å
502P46.5Very low55.2Low61 Ų6182.8 Ų82.840%0.39649%0.489SS..PPolyproline II helixtrans-62.7122-177.218.3-24000109.5M504 H542P502-M504 HydrophobicContact CB-CE 3.79Å; P502-M504 HydrophobicContact CG-CE 3.97Å; P502-M504 VanDerWaalsContact O-CE 3.31Å; P502-M504 WeakPolarHBondContact O-CE 3.43Å; P502-M504 PolarHBondContact O-N 2.86Å; P502-H542 WeakPolarHBondContact CG-CD2 3.42Å; P502-H542 WeakPolarHBondContact CG-NE2 3.41Å
503S55.1Low58.4Low81 Ų8178.6 Ų78.657%0.56646%0.457SS*.  trans-66.3102.5-179.766.20000109.4Q460 T501Q460-S503 PolarHBondContact NE2-OG 3.4Å; T501-S503 PolarHBondContact O-N 2.87Å; T501-S503 VanDerWaalsContact O-N 3.14Å
504M69.6Low61.7Low40 Ų4071.5 Ų71.520%0.19743%0.428CS..  trans-64.8139.7174.1-61.6-66.998.900109.8P502 F508 N545P502-M504 HydrophobicContact CB-CE 3.79Å; P502-M504 HydrophobicContact CG-CE 3.97Å; P502-M504 VanDerWaalsContact O-CE 3.31Å; P502-M504 WeakPolarHBondContact O-CE 3.43Å; P502-M504 PolarHBondContact O-N 2.86Å; M504-F508 HydrophobicContact CB-CB 3.79Å; M504-F508 HydrophobicContact CB-CD1 3.94Å; M504-F508 HydrophobicContact CB-CD2 4.27Å; M504-F508 HydrophobicContact CB-CG 3.74Å; M504-F508 HydrophobicContact CG-CD1 4.21Å; M504-F508 HydrophobicContact CG-CD2 4.1Å; M504-F508 HydrophobicContact CG-CE1 4.5Å; M504-F508 HydrophobicContact CG-CE2 4.4Å; M504-F508 HydrophobicContact CG-CG 4.02Å; M504-F508 HydrophobicContact SD-CD2 3.95Å; M504-F508 HydrophobicContact SD-CE2 4.28Å; M504-F508 HydrophobicContact SD-CG 4.39Å; M504-N545 HydrophobicContact CG-CB 4.46Å; M504-N545 WeakPolarHBondContact CG-ND2 3.37Å
505N82.4Confident65Low6 Ų667 Ų673%0.03239%0.391CS..  trans-79.3176.1-176.771.124000112.3I453 A454 S456 Q460 Y507 F508I453-N505 PolarHBondContact O-ND2 3.09Å; A454-N505 VanDerWaalsContact O-CG 3.24Å; A454-N505 PolarHBondContact O-ND2 3.13Å; A454-N505 PolarHBondContact O-OD1 3.01Å; A454-N505 VanDerWaalsContact O-OD1 3.08Å; S456-N505 PolarHBondContact O-ND2 3.25Å; Q460-N505 HydrophobicContact CG-CB 4.11Å; N505-Y507 PolarHBondContact O-N 3.25Å; N505-Y507 WeakPolarHBondContact OD1-CA 3.4Å; N505-Y507 VanDerWaalsContact OD1-CB 3.29Å; N505-Y507 WeakPolarHBondContact OD1-CB 3.43Å; N505-Y507 PolarHBondContact OD1-N 3.41Å; N505-F508 WeakPolarHBondContact O-CB 3.42Å; N505-F508 PolarHBondContact O-N 2.86Å; N505-F508 VanDerWaalsContact O-N 3.12Å; N505-F508 PolarHBondContact OD1-N 3.2Å; N505-F508 VanDerWaalsContact OD1-N 3.08Å
506S85.2Confident68.3Low59 Ų5959 Ų5941%0.41335%0.352SS..Hα-helixtrans-63-25.9179.952.70000113.6G459 F508 K510G459-S506 PolarHBondContact O-OG 3.25Å; S506-F508 VanDerWaalsContact C-N 3.31Å; S506-K510 PolarHBondContact O-N 2.96Å
507Y88.1Confident71.7Confident23 Ų2358.1 Ų58.19%0.0934%0.342CS..Hα-helixtrans-71-25.4177.1-77.2-89.2000112.8F421 T424 D425 F428 I453 N505 K510 F511F421-Y507 HydrophobicContact CD1-CD2 4.32Å; F421-Y507 AromaticContact CD1-CE2 3.93Å; F421-Y507 HydrophobicContact CD1-CE2 3.93Å; F421-Y507 AromaticContact CE1-CD2 3.82Å; F421-Y507 HydrophobicContact CE1-CD2 3.82Å; F421-Y507 AromaticContact CE1-CE2 3.91Å; F421-Y507 HydrophobicContact CE1-CE2 3.91Å; F421-Y507 HydrophobicContact CE1-CG 4.46Å; T424-Y507 HydrophobicContact CG2-CD1 3.95Å; T424-Y507 HydrophobicContact CG2-CE1 3.44Å; T424-Y507 VanDerWaalsContact CG2-CE1 3.44Å; D425-Y507 PolarHBondContact OD1-OH 3.1Å; F428-Y507 HydrophobicContact CD2-CD1 4.45Å; F428-Y507 HydrophobicContact CE2-CD1 4.41Å; I453-Y507 HydrophobicContact CG2-CD1 4.19Å; I453-Y507 HydrophobicContact CG2-CG 4.15Å; N505-Y507 PolarHBondContact O-N 3.25Å; N505-Y507 WeakPolarHBondContact OD1-CA 3.4Å; N505-Y507 VanDerWaalsContact OD1-CB 3.29Å; N505-Y507 WeakPolarHBondContact OD1-CB 3.43Å; N505-Y507 PolarHBondContact OD1-N 3.41Å; Y507-K510 HydrophobicContact CD1-CD 4.1Å; Y507-K510 HydrophobicContact CE1-CD 4.21Å; Y507-K510 PolarHBondContact O-N 2.97Å; Y507-F511 VanDerWaalsContact O-CB 3.25Å; Y507-F511 WeakPolarHBondContact O-CB 3.3Å; Y507-F511 PolarHBondContact O-N 3.18Å
508F91.7Very high74.9Confident2 Ų254.8 Ų54.81%0.00931%0.311CS..Hα-helixtrans-58-53172.8176.3-95.2000111.9A454 M504 N505 S506 F511 M512 L541 N545 I546A454-F508 HydrophobicContact CB-CB 4.09Å; A454-F508 HydrophobicContact CB-CD2 4.12Å; M504-F508 HydrophobicContact CB-CB 3.79Å; M504-F508 HydrophobicContact CB-CD1 3.94Å; M504-F508 HydrophobicContact CB-CD2 4.27Å; M504-F508 HydrophobicContact CB-CG 3.74Å; M504-F508 HydrophobicContact CG-CD1 4.21Å; M504-F508 HydrophobicContact CG-CD2 4.1Å; M504-F508 HydrophobicContact CG-CE1 4.5Å; M504-F508 HydrophobicContact CG-CE2 4.4Å; M504-F508 HydrophobicContact CG-CG 4.02Å; M504-F508 HydrophobicContact SD-CD2 3.95Å; M504-F508 HydrophobicContact SD-CE2 4.28Å; M504-F508 HydrophobicContact SD-CG 4.39Å; N505-F508 WeakPolarHBondContact O-CB 3.42Å; N505-F508 PolarHBondContact O-N 2.86Å; N505-F508 VanDerWaalsContact O-N 3.12Å; N505-F508 PolarHBondContact OD1-N 3.2Å; N505-F508 VanDerWaalsContact OD1-N 3.08Å; S506-F508 VanDerWaalsContact C-N 3.31Å; F508-F511 WeakPolarHBondContact O-CB 3.42Å; F508-F511 PolarHBondContact O-N 3.37Å; F508-M512 HydrophobicContact CD2-CE 4.29Å; F508-M512 HydrophobicContact CE1-CG 4.18Å; F508-M512 HydrophobicContact CE2-CE 3.77Å; F508-M512 HydrophobicContact CE2-CG 4.48Å; F508-M512 HydrophobicContact CZ-CE 4.15Å; F508-M512 HydrophobicContact CZ-CG 4.12Å; F508-M512 WeakPolarHBondContact O-CG 3.38Å; F508-M512 PolarHBondContact O-N 3.12Å; F508-L541 HydrophobicContact CD2-CD1 4.22Å; F508-L541 HydrophobicContact CE2-CD1 4.05Å; F508-N545 HydrophobicContact CE1-CB 4.33Å; F508-N545 HydrophobicContact CE2-CB 4.42Å; F508-N545 HydrophobicContact CZ-CB 3.79Å; F508-I546 HydrophobicContact CE2-CG1 4.39Å; F508-I546 HydrophobicContact CZ-CG1 4.45Å
509Y89.1Confident78.2Confident112 Ų11250.2 Ų50.244%0.43928%0.279SS..Hα-helixtrans-67.5-38.7178.1-75.1-81.1000111.9F511 M512 I513Y509-F511 PolarHBondContact O-N 3.45Å; Y509-M512 PolarHBondContact O-N 2.8Å; Y509-I513 WeakPolarHBondContact O-CB 3.42Å; Y509-I513 VanDerWaalsContact O-CG1 3.28Å; Y509-I513 WeakPolarHBondContact O-CG1 2.92Å; Y509-I513 PolarHBondContact O-N 3.16Å
510K91.1Very high81.2Confident79 Ų7945.5 Ų45.534%0.34325%0.249SC..Hα-helixtrans-57.2-40.5173-169175.6177.6178.50110.5D425 F428 S506 Y507 N514D425-K510 IonicContact OD1-NZ 3.44Å; D425-K510 PolarHBondContact OD1-NZ 3.28Å; F428-K510 HydrophobicContact CE1-CD 4.37Å; F428-K510 HydrophobicContact CE1-CG 4Å; F428-K510 HydrophobicContact CZ-CG 4.42Å; S506-K510 PolarHBondContact O-N 2.96Å; Y507-K510 HydrophobicContact CD1-CD 4.1Å; Y507-K510 HydrophobicContact CE1-CD 4.21Å; Y507-K510 PolarHBondContact O-N 2.97Å; K510-N514 WeakPolarHBondContact O-CB 3.24Å; K510-N514 PolarHBondContact O-N 3.18Å; K510-N514 VanDerWaalsContact O-N 3.08Å; K510-N514 PolarHBondContact O-ND2 3.19Å
511F94.3Very high84.1Confident0 Ų047.5 Ų47.50%025%0.25CS..Hα-helixtrans-65.7-51.8176.9177.5-146.1000112F428 L432 L435 L447 L450 Y507 F508 Y509 I513 N514 L515 L537F428-F511 HydrophobicContact CE2-CB 4.25Å; F428-F511 HydrophobicContact CZ-CB 3.78Å; F428-F511 HydrophobicContact CZ-CD2 4.42Å; F428-F511 HydrophobicContact CZ-CG 4.47Å; L432-F511 HydrophobicContact CD2-CD2 3.91Å; L432-F511 HydrophobicContact CD2-CE2 4.03Å; L435-F511 HydrophobicContact CD1-CE2 4.34Å; L447-F511 HydrophobicContact CD2-CZ 4.38Å; L450-F511 HydrophobicContact CB-CE1 4.11Å; L450-F511 HydrophobicContact CB-CE2 4.32Å; L450-F511 HydrophobicContact CB-CZ 3.97Å; L450-F511 HydrophobicContact CD1-CE2 3.8Å; L450-F511 HydrophobicContact CD1-CZ 3.99Å; L450-F511 HydrophobicContact CD2-CD2 4.46Å; L450-F511 HydrophobicContact CD2-CE2 4.47Å; L450-F511 HydrophobicContact CG-CE2 4.44Å; Y507-F511 VanDerWaalsContact O-CB 3.25Å; Y507-F511 WeakPolarHBondContact O-CB 3.3Å; Y507-F511 PolarHBondContact O-N 3.18Å; F508-F511 WeakPolarHBondContact O-CB 3.42Å; F508-F511 PolarHBondContact O-N 3.37Å; Y509-F511 PolarHBondContact O-N 3.45Å; F511-I513 VanDerWaalsContact C-N 3.31Å; F511-I513 PolarHBondContact O-N 3.48Å; F511-N514 PolarHBondContact O-N 3.38Å; F511-L515 HydrophobicContact CD2-CB 4.41Å; F511-L515 HydrophobicContact CE2-CB 4.21Å; F511-L515 HydrophobicContact CE2-CD2 4.39Å; F511-L515 HydrophobicContact CZ-CD2 4.36Å; F511-L515 VanDerWaalsContact O-CB 3.32Å; F511-L515 WeakPolarHBondContact O-CB 3.37Å; F511-L515 PolarHBondContact O-N 3.41Å; F511-L537 HydrophobicContact CE1-CD1 4.01Å; F511-L537 HydrophobicContact CE1-CD2 3.62Å; F511-L537 HydrophobicContact CE1-CG 4.49Å; F511-L537 HydrophobicContact CZ-CD1 3.91Å; F511-L537 HydrophobicContact CZ-CD2 3.9Å
512M94.2Very high86.5Confident0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-59.4-41.5-179.5-64-62.3142.900112.3F508 Y509 L516 L541 I546 S549 M550 I553F508-M512 HydrophobicContact CD2-CE 4.29Å; F508-M512 HydrophobicContact CE1-CG 4.18Å; F508-M512 HydrophobicContact CE2-CE 3.77Å; F508-M512 HydrophobicContact CE2-CG 4.48Å; F508-M512 HydrophobicContact CZ-CE 4.15Å; F508-M512 HydrophobicContact CZ-CG 4.12Å; F508-M512 WeakPolarHBondContact O-CG 3.38Å; F508-M512 PolarHBondContact O-N 3.12Å; Y509-M512 PolarHBondContact O-N 2.8Å; M512-L516 WeakPolarHBondContact O-CG 3.13Å; M512-L516 PolarHBondContact O-N 2.7Å; M512-L516 VanDerWaalsContact O-N 3.08Å; M512-L541 HydrophobicContact CE-CD1 4.38Å; M512-I546 HydrophobicContact CE-CG1 4.16Å; M512-I546 HydrophobicContact SD-CG2 4.36Å; M512-S549 WeakPolarHBondContact CG-OG 3.19Å; M512-M550 HydrophobicContact SD-CE 3.79Å; M512-M550 HydrophobicContact SD-CG 4.35Å; M512-I553 HydrophobicContact CB-CD1 3.6Å
513I93Very high88.6Confident40 Ų4048.2 Ų48.221%0.20524%0.239CC..Hα-helixtrans-63-49176.2-68.2167.9000110.8L476 Y509 F511 L515 L516 K517 I553L476-I513 HydrophobicContact CD1-CD1 4.4Å; Y509-I513 WeakPolarHBondContact O-CB 3.42Å; Y509-I513 VanDerWaalsContact O-CG1 3.28Å; Y509-I513 WeakPolarHBondContact O-CG1 2.92Å; Y509-I513 PolarHBondContact O-N 3.16Å; F511-I513 VanDerWaalsContact C-N 3.31Å; F511-I513 PolarHBondContact O-N 3.48Å; I513-L515 VanDerWaalsContact C-N 3.34Å; I513-L515 PolarHBondContact O-N 2.75Å; I513-L516 PolarHBondContact O-N 2.75Å; I513-K517 HydrophobicContact CG2-CD 4.02Å; I513-K517 HydrophobicContact CG2-CG 4.49Å; I513-K517 WeakPolarHBondContact O-CB 3.4Å; I513-K517 VanDerWaalsContact O-CG 3.3Å; I513-K517 WeakPolarHBondContact O-CG 3.48Å; I513-K517 PolarHBondContact O-N 3.02Å; I513-I553 HydrophobicContact CB-CD1 4.47Å; I513-I553 HydrophobicContact CG1-CD1 3.63Å; I513-I553 HydrophobicContact CG1-CG1 3.93Å
514N93.7Very high90.2Very high51 Ų5151.5 Ų51.527%0.27324%0.243SC..Hα-helixtrans-69.4-33.1-177.7-77.5-68.1000112.5L432 K510 F511 R518L432-N514 HydrophobicContact CD1-CB 3.5Å; L432-N514 HydrophobicContact CD2-CB 4.17Å; K510-N514 WeakPolarHBondContact O-CB 3.24Å; K510-N514 PolarHBondContact O-N 3.18Å; K510-N514 VanDerWaalsContact O-N 3.08Å; K510-N514 PolarHBondContact O-ND2 3.19Å; F511-N514 PolarHBondContact O-N 3.38Å; N514-R518 WeakPolarHBondContact O-CB 3.42Å; N514-R518 PolarHBondContact O-N 2.95Å
515L94.9Very high91.3Very high1 Ų150 Ų501%0.00524%0.236CC..Hα-helixtrans-63-49.8174.1-179.661.6000111.3L435 F511 I513 R518 F519 I533 L537 M550L435-L515 HydrophobicContact CD1-CD1 3.81Å; F511-L515 HydrophobicContact CD2-CB 4.41Å; F511-L515 HydrophobicContact CE2-CB 4.21Å; F511-L515 HydrophobicContact CE2-CD2 4.39Å; F511-L515 HydrophobicContact CZ-CD2 4.36Å; F511-L515 VanDerWaalsContact O-CB 3.32Å; F511-L515 WeakPolarHBondContact O-CB 3.37Å; F511-L515 PolarHBondContact O-N 3.41Å; I513-L515 VanDerWaalsContact C-N 3.34Å; I513-L515 PolarHBondContact O-N 2.75Å; L515-R518 WeakPolarHBondContact O-CB 3.32Å; L515-R518 PolarHBondContact O-N 3.45Å; L515-R518 VanDerWaalsContact O-N 3.12Å; L515-F519 HydrophobicContact CD1-CE1 4.1Å; L515-F519 HydrophobicContact CD1-CE2 3.94Å; L515-F519 HydrophobicContact CD1-CZ 3.68Å; L515-F519 HydrophobicContact CD2-CE2 4.29Å; L515-F519 HydrophobicContact CG-CD2 4.34Å; L515-F519 HydrophobicContact CG-CE2 3.84Å; L515-F519 HydrophobicContact CG-CZ 4.11Å; L515-F519 PolarHBondContact O-N 2.84Å; L515-I533 HydrophobicContact CD1-CG2 4.27Å; L515-I533 HydrophobicContact CD2-CG2 4.39Å; L515-L537 HydrophobicContact CD2-CD1 3.66Å; L515-M550 HydrophobicContact CD2-CE 3.9Å
516L93.9Very high91.8Very high1 Ų150 Ų501%0.00524%0.236CC..Hα-helixtrans-63.7-41.8177.1-73.6176.3000111.8M512 I513 R518 F519 S520 M550 I553 L554 F562 M566M512-L516 WeakPolarHBondContact O-CG 3.13Å; M512-L516 PolarHBondContact O-N 2.7Å; M512-L516 VanDerWaalsContact O-N 3.08Å; I513-L516 PolarHBondContact O-N 2.75Å; L516-R518 VanDerWaalsContact C-N 3.26Å; L516-R518 PolarHBondContact O-N 3.49Å; L516-F519 HydrophobicContact CD2-CD2 4.45Å; L516-F519 PolarHBondContact O-N 2.98Å; L516-S520 PolarHBondContact O-N 3.31Å; L516-M550 HydrophobicContact CD1-CB 4.46Å; L516-M550 HydrophobicContact CD1-CG 4.36Å; L516-I553 HydrophobicContact CD1-CB 3.73Å; L516-I553 HydrophobicContact CD1-CD1 4.12Å; L516-I553 HydrophobicContact CD1-CG2 3.53Å; L516-L554 HydrophobicContact CD1-CD2 4.43Å; L516-L554 HydrophobicContact CD1-CG 4.2Å; L516-L554 HydrophobicContact CD2-CD2 4.45Å; L516-F562 HydrophobicContact CD2-CZ 4.34Å; L516-F562 WeakPolarHBondContact O-CZ 3.39Å; L516-M566 HydrophobicContact CD2-CE 3.71Å; L516-M566 HydrophobicContact CD2-CG 3.87Å; L516-M566 HydrophobicContact CD2-SD 3.9Å
517K92.9Very high92Very high114 Ų11454 Ų5450%0.49625%0.248SC..Hα-helixtrans-56.8-41.9171.9-76.6177.2179.5179.90111.4I513 S520 L521I513-K517 HydrophobicContact CG2-CD 4.02Å; I513-K517 HydrophobicContact CG2-CG 4.49Å; I513-K517 WeakPolarHBondContact O-CB 3.4Å; I513-K517 VanDerWaalsContact O-CG 3.3Å; I513-K517 WeakPolarHBondContact O-CG 3.48Å; I513-K517 PolarHBondContact O-N 3.02Å; K517-S520 PolarHBondContact O-N 3.1Å; K517-S520 PolarHBondContact O-OG 3.23Å; K517-L521 WeakPolarHBondContact O-CG 3.31Å; K517-L521 PolarHBondContact O-N 3.48Å
518R92.3Very high92.1Very high49 Ų4958.7 Ų58.719%0.18528%0.275CS..Hα-helixtrans-67.3-41.1179.5-159.4154.1-169.6-91.2-15.5112.5L432 K433 S436 N514 L515 L516 S520 L521 D522 L525L432-R518 WeakPolarHBondContact O-CD 3.36Å; L432-R518 PolarHBondContact O-NE 3.42Å; L432-R518 VanDerWaalsContact O-NE 3.14Å; L432-R518 PolarHBondContact O-NH1 3.23Å; K433-R518 VanDerWaalsContact CA-CZ 3.5Å; K433-R518 PolarHBondContact O-NH1 3.1Å; K433-R518 PolarHBondContact O-NH2 2.87Å; S436-R518 PolarHBondContact OG-NH1 3.16Å; S436-R518 PolarHBondContact OG-NH2 3.04Å; N514-R518 WeakPolarHBondContact O-CB 3.42Å; N514-R518 PolarHBondContact O-N 2.95Å; L515-R518 WeakPolarHBondContact O-CB 3.32Å; L515-R518 PolarHBondContact O-N 3.45Å; L515-R518 VanDerWaalsContact O-N 3.12Å; L516-R518 VanDerWaalsContact C-N 3.26Å; L516-R518 PolarHBondContact O-N 3.49Å; R518-S520 VanDerWaalsContact C-N 3.28Å; R518-S520 PolarHBondContact O-N 3.09Å; R518-L521 PolarHBondContact O-N 2.85Å; R518-D522 PolarHBondContact O-N 3.1Å; R518-L525 HydrophobicContact CG-CD2 4.23Å
519F94.3Very high92.1Very high0 Ų062.1 Ų62.10%029%0.288CS..Hα-helixtrans-63.3-32.9170.6-68.5-27.3000113.2L515 L516 D522 L525 L526 I533 I534 F562 M566L515-F519 HydrophobicContact CD1-CE1 4.1Å; L515-F519 HydrophobicContact CD1-CE2 3.94Å; L515-F519 HydrophobicContact CD1-CZ 3.68Å; L515-F519 HydrophobicContact CD2-CE2 4.29Å; L515-F519 HydrophobicContact CG-CD2 4.34Å; L515-F519 HydrophobicContact CG-CE2 3.84Å; L515-F519 HydrophobicContact CG-CZ 4.11Å; L515-F519 PolarHBondContact O-N 2.84Å; L516-F519 HydrophobicContact CD2-CD2 4.45Å; L516-F519 PolarHBondContact O-N 2.98Å; F519-D522 CarbonylContact O-C 3.38Å; F519-L525 HydrophobicContact CD1-CD2 3.96Å; F519-L525 HydrophobicContact CD1-CG 4.07Å; F519-L525 HydrophobicContact CE1-CD2 4Å; F519-L525 HydrophobicContact CE1-CG 3.98Å; F519-L526 HydrophobicContact CB-CB 4.12Å; F519-L526 HydrophobicContact CB-CD1 4.47Å; F519-L526 HydrophobicContact CD1-CB 4.18Å; F519-L526 HydrophobicContact CD2-CD1 4.05Å; F519-L526 HydrophobicContact CE2-CD1 4.4Å; F519-L526 HydrophobicContact CG-CB 4.21Å; F519-L526 HydrophobicContact CG-CD1 4.14Å; F519-I533 HydrophobicContact CE1-CD1 4.05Å; F519-I533 HydrophobicContact CZ-CB 4.38Å; F519-I533 HydrophobicContact CZ-CD1 4.17Å; F519-I533 HydrophobicContact CZ-CG2 4.24Å; F519-I534 HydrophobicContact CE2-CD1 4.34Å; F519-I534 HydrophobicContact CE2-CG1 4.4Å; F519-F562 HydrophobicContact CB-CE2 3.74Å; F519-F562 HydrophobicContact CB-CZ 3.96Å; F519-M566 HydrophobicContact CD2-CE 4.27Å; F519-M566 HydrophobicContact CD2-SD 4.02Å; F519-M566 HydrophobicContact CE2-CE 4.34Å
520S92.5Very high92.3Very high34 Ų3456.8 Ų56.824%0.23827%0.267CS..Hα-helixtrans-69.8-39.1176.680.70000112.2L516 K517 R518L516-S520 PolarHBondContact O-N 3.31Å; K517-S520 PolarHBondContact O-N 3.1Å; K517-S520 PolarHBondContact O-OG 3.23Å; R518-S520 VanDerWaalsContact C-N 3.28Å; R518-S520 PolarHBondContact O-N 3.09Å
521L91.3Very high92.4Very high153 Ų15355.1 Ų55.180%0.80127%0.268SS*.Hα-helixtrans-76.2-38.8179.7-69.1171.3000112K517 R518K517-L521 WeakPolarHBondContact O-CG 3.31Å; K517-L521 PolarHBondContact O-N 3.48Å; R518-L521 PolarHBondContact O-N 2.85Å
522D90.8Very high92.4Very high62 Ų6258.2 Ų58.233%0.33228%0.282SS..  trans-118.591.7177.5-174.6-0.4000111.2R518 F519 K524 L525R518-D522 PolarHBondContact O-N 3.1Å; F519-D522 CarbonylContact O-C 3.38Å; D522-K524 VanDerWaalsContact C-N 3.27Å; D522-K524 PolarHBondContact O-N 3.44Å; D522-K524 WeakPolarHBondContact OD1-CB 3.13Å; D522-K524 PolarHBondContact OD1-N 2.96Å; D522-K524 VanDerWaalsContact OD1-N 3.12Å; D522-L525 HydrophobicContact CB-CB 4.09Å; D522-L525 WeakPolarHBondContact O-CB 3.06Å; D522-L525 PolarHBondContact O-N 3.49Å; D522-L525 PolarHBondContact OD1-N 2.85Å
523R89.3Confident92.4Very high106 Ų10658.2 Ų58.240%0.428%0.282SS..Hα-helixtrans-65.7-28.4179.7-66.2-173.7175.6173.5-1.4113.3L525 L526 E527 D559R523-L525 VanDerWaalsContact C-N 3.29Å; R523-L525 PolarHBondContact O-N 3.29Å; R523-L526 PolarHBondContact O-N 3Å; R523-E527 WeakPolarHBondContact O-CG 3.23Å; R523-E527 PolarHBondContact O-N 2.97Å; R523-D559 IonicContact NH2-OD2 2.92Å; R523-D559 PolarHBondContact NH2-OD2 3.29Å
524K90.2Very high92.5Very high149 Ų14956.3 Ų56.365%0.64827%0.272SS*.Hα-helixtrans-68-34.4178-68.9-176.9176.7-179.30111.1D522 E527 N528D522-K524 VanDerWaalsContact C-N 3.27Å; D522-K524 PolarHBondContact O-N 3.44Å; D522-K524 WeakPolarHBondContact OD1-CB 3.13Å; D522-K524 PolarHBondContact OD1-N 2.96Å; D522-K524 VanDerWaalsContact OD1-N 3.12Å; K524-E527 PolarHBondContact O-N 2.67Å; K524-N528 VanDerWaalsContact O-CB 3.32Å; K524-N528 WeakPolarHBondContact O-CB 3.35Å; K524-N528 PolarHBondContact O-N 3.37Å; K524-N528 PolarHBondContact O-ND2 3.22Å
525L92.3Very high92.6Very high10 Ų1058.9 Ų58.95%0.05228%0.278CS..Hα-helixtrans-61.3-44.9174.4-175.867.1000111.2L435 R518 F519 D522 R523 R529 G530 I533L435-L525 WeakPolarHBondContact O-CD1 3.44Å; R518-L525 HydrophobicContact CG-CD2 4.23Å; F519-L525 HydrophobicContact CD1-CD2 3.96Å; F519-L525 HydrophobicContact CD1-CG 4.07Å; F519-L525 HydrophobicContact CE1-CD2 4Å; F519-L525 HydrophobicContact CE1-CG 3.98Å; D522-L525 HydrophobicContact CB-CB 4.09Å; D522-L525 WeakPolarHBondContact O-CB 3.06Å; D522-L525 PolarHBondContact O-N 3.49Å; D522-L525 PolarHBondContact OD1-N 2.85Å; R523-L525 VanDerWaalsContact C-N 3.29Å; R523-L525 PolarHBondContact O-N 3.29Å; L525-R529 HydrophobicContact CD1-CB 4.05Å; L525-R529 HydrophobicContact CD1-CG 4.3Å; L525-R529 CarbonylContact O-C 3.41Å; L525-R529 WeakPolarHBondContact O-CA 3.39Å; L525-R529 WeakPolarHBondContact O-CB 3.46Å; L525-R529 PolarHBondContact O-N 3.02Å; L525-G530 PolarHBondContact O-N 3.17Å; L525-I533 HydrophobicContact CD1-CD1 4.46Å
526L92.6Very high92.6Very high6 Ų660.5 Ų60.53%0.03129%0.285CS..Iπ-helixtrans-61.9-47.9176.4176.860.7000111.8F519 R523 G530 F562 T565 M566 T569F519-L526 HydrophobicContact CB-CB 4.12Å; F519-L526 HydrophobicContact CB-CD1 4.47Å; F519-L526 HydrophobicContact CD1-CB 4.18Å; F519-L526 HydrophobicContact CD2-CD1 4.05Å; F519-L526 HydrophobicContact CE2-CD1 4.4Å; F519-L526 HydrophobicContact CG-CB 4.21Å; F519-L526 HydrophobicContact CG-CD1 4.14Å; R523-L526 PolarHBondContact O-N 3Å; L526-G530 VanDerWaalsContact O-CA 3.31Å; L526-G530 WeakPolarHBondContact O-CA 3.43Å; L526-G530 PolarHBondContact O-N 3.2Å; L526-F562 HydrophobicContact CD2-CD2 4.33Å; L526-F562 HydrophobicContact CD2-CE2 3.99Å; L526-T565 HydrophobicContact CD2-CG2 4.14Å; L526-M566 HydrophobicContact CD1-SD 3.59Å; L526-M566 VanDerWaalsContact CD1-SD 3.59Å; L526-M566 HydrophobicContact CD2-SD 4.3Å; L526-T569 HydrophobicContact CD1-CG2 4.32Å
527E89.3Confident92.6Very high141 Ų14160.4 Ų60.466%0.65929%0.285SS*.Iπ-helixtrans-64.2-45.2-177.6-72.2171.4-174.500112.3R523 K524R523-E527 WeakPolarHBondContact O-CG 3.23Å; R523-E527 PolarHBondContact O-N 2.97Å; K524-E527 PolarHBondContact O-N 2.67Å
528N89.9Confident92.6Very high123 Ų12355.5 Ų55.566%0.65827%0.265SS*.Iπ-helixtrans-88.3-37.7-173.1-65.8-24000113.4K524K524-N528 VanDerWaalsContact O-CB 3.32Å; K524-N528 WeakPolarHBondContact O-CB 3.35Å; K524-N528 PolarHBondContact O-N 3.37Å; K524-N528 PolarHBondContact O-ND2 3.22Å
529R92.4Very high92.6Very high73 Ų7358 Ų5828%0.27528%0.281SS..Iπ-helixtrans-124.3-14.4-169.4-59.3-64.6-165.7-170.210.4113.7E438 D440 L525 A531 F532 I533E438-R529 PolarHBondContact O-NH2 2.96Å; D440-R529 IonicContact OD1-CZ 3.59Å; D440-R529 IonicContact OD1-NE 3.47Å; D440-R529 PolarHBondContact OD1-NE 3.14Å; D440-R529 IonicContact OD1-NH1 3.75Å; D440-R529 PolarHBondContact OD1-NH1 3.25Å; D440-R529 IonicContact OD1-NH2 3.34Å; D440-R529 PolarHBondContact OD1-NH2 2.77Å; D440-R529 IonicContact OD2-CZ 3.59Å; D440-R529 IonicContact OD2-NH1 3.25Å; D440-R529 PolarHBondContact OD2-NH1 2.95Å; D440-R529 IonicContact OD2-NH2 2.76Å; L525-R529 HydrophobicContact CD1-CB 4.05Å; L525-R529 HydrophobicContact CD1-CG 4.3Å; L525-R529 CarbonylContact O-C 3.41Å; L525-R529 WeakPolarHBondContact O-CA 3.39Å; L525-R529 WeakPolarHBondContact O-CB 3.46Å; L525-R529 PolarHBondContact O-N 3.02Å; R529-A531 VanDerWaalsContact C-N 3.34Å; R529-A531 PolarHBondContact O-N 3.41Å; R529-F532 WeakPolarHBondContact O-CB 3.47Å; R529-F532 PolarHBondContact O-N 3.17Å; R529-F532 VanDerWaalsContact O-N 3.08Å; R529-I533 HydrophobicContact CB-CD1 4.11Å; R529-I533 WeakPolarHBondContact O-CG1 3.4Å; R529-I533 PolarHBondContact O-N 3.37Å
530G93.1Very high92.5Very high0 Ų060.8 Ų60.80%030%0.296CS..Iπ-helixtrans-57.1-44-174.500000113.3L525 L526 F532 I533 I534L525-G530 PolarHBondContact O-N 3.17Å; L526-G530 VanDerWaalsContact O-CA 3.31Å; L526-G530 WeakPolarHBondContact O-CA 3.43Å; L526-G530 PolarHBondContact O-N 3.2Å; G530-F532 PolarHBondContact O-N 2.91Å; G530-I533 PolarHBondContact O-N 3.46Å; G530-I534 WeakPolarHBondContact O-CB 3.36Å; G530-I534 WeakPolarHBondContact O-CD1 3.48Å; G530-I534 WeakPolarHBondContact O-CG1 3.36Å; G530-I534 PolarHBondContact O-N 3.48Å
531A93Very high92.4Very high45 Ų4559.9 Ų59.937%0.37229%0.288SS..Hα-helixtrans-64.1-39.6177.100000113.1R529 R535 I573R529-A531 VanDerWaalsContact C-N 3.34Å; R529-A531 PolarHBondContact O-N 3.41Å; A531-R535 VanDerWaalsContact O-CB 3.31Å; A531-R535 WeakPolarHBondContact O-CB 3.36Å; A531-R535 WeakPolarHBondContact O-CD 3.05Å; A531-R535 WeakPolarHBondContact O-CG 3.43Å; A531-R535 PolarHBondContact O-N 3.45Å; A531-R535 VanDerWaalsContact O-N 3.11Å; A531-I573 HydrophobicContact CB-CD1 4.18Å; A531-I573 HydrophobicContact CB-CG1 4.29Å
532F94.1Very high92.3Very high65 Ų6557.5 Ų57.529%0.28527%0.273SS..Hα-helixtrans-63.8-49.5175.8170.1-106.1000111.3D440 I443 R529 G530 I534 R535 Q536D440-F532 HydrophobicContact CB-CZ 4.44Å; I443-F532 HydrophobicContact CB-CE1 4.31Å; I443-F532 HydrophobicContact CG2-CD1 4.41Å; I443-F532 HydrophobicContact CG2-CE1 3.93Å; R529-F532 WeakPolarHBondContact O-CB 3.47Å; R529-F532 PolarHBondContact O-N 3.17Å; R529-F532 VanDerWaalsContact O-N 3.08Å; G530-F532 PolarHBondContact O-N 2.91Å; F532-I534 PolarHBondContact O-N 2.91Å; F532-R535 PolarHBondContact O-N 3.41Å; F532-Q536 WeakPolarHBondContact O-CB 3.21Å; F532-Q536 PolarHBondContact O-N 3.41Å
533I95.7Very high92.2Very high0 Ų055.3 Ų55.30%026%0.263CS..Hα-helixtrans-58.2-50.8-179.9-69.5166.3000111.1I443 L447 L515 F519 L525 R529 G530 R535 Q536 L537I443-I533 HydrophobicContact CG2-CG1 4.11Å; L447-I533 HydrophobicContact CD1-CB 4.44Å; L447-I533 HydrophobicContact CD1-CG1 4.39Å; L447-I533 HydrophobicContact CD1-CG2 4.27Å; L447-I533 HydrophobicContact CD2-CG2 3.95Å; L515-I533 HydrophobicContact CD1-CG2 4.27Å; L515-I533 HydrophobicContact CD2-CG2 4.39Å; F519-I533 HydrophobicContact CE1-CD1 4.05Å; F519-I533 HydrophobicContact CZ-CB 4.38Å; F519-I533 HydrophobicContact CZ-CD1 4.17Å; F519-I533 HydrophobicContact CZ-CG2 4.24Å; L525-I533 HydrophobicContact CD1-CD1 4.46Å; R529-I533 HydrophobicContact CB-CD1 4.11Å; R529-I533 WeakPolarHBondContact O-CG1 3.4Å; R529-I533 PolarHBondContact O-N 3.37Å; G530-I533 PolarHBondContact O-N 3.46Å; I533-R535 PolarHBondContact O-N 3.2Å; I533-Q536 PolarHBondContact O-N 3.04Å; I533-L537 HydrophobicContact CG2-CD1 4.02Å; I533-L537 HydrophobicContact CG2-CG 4.47Å; I533-L537 WeakPolarHBondContact O-CG 3.28Å; I533-L537 PolarHBondContact O-N 3.24Å
534I95Very high92.2Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-65.2-42.1-176.8-64.2161.8000111.1F519 G530 F532 Q536 L537 C538 M550 M566 T569 L570 I573F519-I534 HydrophobicContact CE2-CD1 4.34Å; F519-I534 HydrophobicContact CE2-CG1 4.4Å; G530-I534 WeakPolarHBondContact O-CB 3.36Å; G530-I534 WeakPolarHBondContact O-CD1 3.48Å; G530-I534 WeakPolarHBondContact O-CG1 3.36Å; G530-I534 PolarHBondContact O-N 3.48Å; F532-I534 PolarHBondContact O-N 2.91Å; I534-Q536 VanDerWaalsContact C-N 3.35Å; I534-Q536 PolarHBondContact O-N 3.39Å; I534-L537 PolarHBondContact O-N 3.24Å; I534-C538 PolarHBondContact O-N 3.37Å; I534-C538 PolarHBondContact O-SG 2.88Å; I534-M550 HydrophobicContact CG1-CE 4.32Å; I534-M566 HydrophobicContact CD1-CE 3.41Å; I534-M566 VanDerWaalsContact CD1-CE 3.41Å; I534-M566 HydrophobicContact CG1-CE 4.42Å; I534-T569 HydrophobicContact CD1-CG2 4.34Å; I534-L570 HydrophobicContact CD1-CD2 4.04Å; I534-L570 HydrophobicContact CG2-CD2 4.09Å; I534-I573 HydrophobicContact CB-CD1 3.8Å; I534-I573 HydrophobicContact CD1-CD1 3.78Å; I534-I573 HydrophobicContact CG1-CD1 4.42Å; I534-I573 HydrophobicContact CG2-CD1 3.79Å; I534-I573 HydrophobicContact CG2-CG2 4.34Å
535R94.8Very high92.2Very high105 Ų10547.1 Ų47.140%0.39623%0.233SC..Hα-helixtrans-61.4-44.5176.7-75.817562.6-164.3-5.3111.5A531 F532 I533 C538 L539 I573 S577 E579A531-R535 VanDerWaalsContact O-CB 3.31Å; A531-R535 WeakPolarHBondContact O-CB 3.36Å; A531-R535 WeakPolarHBondContact O-CD 3.05Å; A531-R535 WeakPolarHBondContact O-CG 3.43Å; A531-R535 PolarHBondContact O-N 3.45Å; A531-R535 VanDerWaalsContact O-N 3.11Å; F532-R535 PolarHBondContact O-N 3.41Å; I533-R535 PolarHBondContact O-N 3.2Å; R535-C538 WeakPolarHBondContact O-CB 3.47Å; R535-C538 PolarHBondContact O-N 2.95Å; R535-L539 PolarHBondContact O-N 3.17Å; R535-I573 HydrophobicContact CG-CG2 3.85Å; R535-S577 WeakPolarHBondContact CD-OG 3.34Å; R535-E579 IonicContact CZ-OE1 3.96Å; R535-E579 IonicContact NE-OE1 3.45Å; R535-E579 PolarHBondContact NE-OE1 3.44Å; R535-E579 IonicContact NE-OE2 3.71Å; R535-E579 IonicContact NH2-OE1 3.15Å; R535-E579 PolarHBondContact NH2-OE1 3.01Å; R535-E579 IonicContact NH2-OE2 2.89Å
536Q94.8Very high92.2Very high34 Ų3446.7 Ų46.716%0.15923%0.231CC..Hα-helixtrans-65.6-39.2178-171.45936.200111.6L447 F532 I533 I534 C538 L539 L540L447-Q536 HydrophobicContact CD1-CB 3.88Å; L447-Q536 HydrophobicContact CD1-CG 3.91Å; F532-Q536 WeakPolarHBondContact O-CB 3.21Å; F532-Q536 PolarHBondContact O-N 3.41Å; I533-Q536 PolarHBondContact O-N 3.04Å; I534-Q536 VanDerWaalsContact C-N 3.35Å; I534-Q536 PolarHBondContact O-N 3.39Å; Q536-C538 VanDerWaalsContact C-N 3.3Å; Q536-C538 PolarHBondContact O-N 2.91Å; Q536-L539 WeakPolarHBondContact O-CB 3.11Å; Q536-L539 PolarHBondContact O-N 3.1Å; Q536-L539 VanDerWaalsContact O-N 3.09Å; Q536-L540 HydrophobicContact CG-CD1 4.16Å; Q536-L540 WeakPolarHBondContact O-CG 3.43Å; Q536-L540 PolarHBondContact O-N 3.33Å; Q536-L540 VanDerWaalsContact O-N 3.12Å
537L94.3Very high92.2Very high0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-61.6-38.4172.9-73.4175.8000112.4L447 F511 L515 I533 I534 L539 L540 L541 I546L447-L537 HydrophobicContact CD2-CD1 4.38Å; L447-L537 HydrophobicContact CD2-CD2 3.76Å; L447-L537 HydrophobicContact CD2-CG 3.99Å; F511-L537 HydrophobicContact CE1-CD1 4.01Å; F511-L537 HydrophobicContact CE1-CD2 3.62Å; F511-L537 HydrophobicContact CE1-CG 4.49Å; F511-L537 HydrophobicContact CZ-CD1 3.91Å; F511-L537 HydrophobicContact CZ-CD2 3.9Å; L515-L537 HydrophobicContact CD2-CD1 3.66Å; I533-L537 HydrophobicContact CG2-CD1 4.02Å; I533-L537 HydrophobicContact CG2-CG 4.47Å; I533-L537 WeakPolarHBondContact O-CG 3.28Å; I533-L537 PolarHBondContact O-N 3.24Å; I534-L537 PolarHBondContact O-N 3.24Å; L537-L539 PolarHBondContact O-N 2.89Å; L537-L540 PolarHBondContact O-N 3.24Å; L537-L541 PolarHBondContact O-N 3.17Å; L537-I546 VanDerWaalsContact C-CD1 3.4Å; L537-I546 HydrophobicContact CB-CD1 3.84Å; L537-I546 VanDerWaalsContact O-CD1 3.27Å; L537-I546 WeakPolarHBondContact O-CD1 3.11Å
538C93.5Very high92.3Very high11 Ų1143 Ų437%0.07421%0.213CC..Hα-helixtrans-67.2-17.4175.8-65.20000113.7I534 R535 Q536 L541 A543 L580I534-C538 PolarHBondContact O-N 3.37Å; I534-C538 PolarHBondContact O-SG 2.88Å; R535-C538 WeakPolarHBondContact O-CB 3.47Å; R535-C538 PolarHBondContact O-N 2.95Å; Q536-C538 VanDerWaalsContact C-N 3.3Å; Q536-C538 PolarHBondContact O-N 2.91Å; C538-L541 CarbonylContact C-O 3.6Å; C538-L541 VanDerWaalsContact O-O 3.12Å; C538-A543 HydrophobicContact CB-CB 4.03Å; C538-L580 HydrophobicContact CB-CD2 4.02Å
539L92.4Very high92.5Very high100 Ų10037.1 Ų37.152%0.52418%0.182SC..Hα-helixtrans-85.2-35.2171.3-72.7172.2000112.4R535 Q536 L537 E579R535-L539 PolarHBondContact O-N 3.17Å; Q536-L539 WeakPolarHBondContact O-CB 3.11Å; Q536-L539 PolarHBondContact O-N 3.1Å; Q536-L539 VanDerWaalsContact O-N 3.09Å; L537-L539 PolarHBondContact O-N 2.89Å; L539-E579 HydrophobicContact CD1-CG 4.03Å; L539-E579 HydrophobicContact CD2-CB 3.89Å; L539-E579 HydrophobicContact CD2-CG 3.42Å; L539-E579 VanDerWaalsContact CD2-CG 3.42Å; L539-E579 HydrophobicContact CG-CB 4.29Å; L539-E579 HydrophobicContact CG-CG 3.71Å
540L91.4Very high92.5Very high60 Ų6033.7 Ų33.731%0.31417%0.169SC..Hα-helixtrans-86-31.2-176-64.7171.7000112.8L447 E448 A451 Q536 L537L447-L540 HydrophobicContact CB-CD1 3.97Å; E448-L540 HydrophobicContact CG-CD1 4.27Å; E448-L540 HydrophobicContact CG-CD2 4.08Å; A451-L540 HydrophobicContact CB-CB 3.7Å; A451-L540 HydrophobicContact CB-CD1 4.08Å; A451-L540 HydrophobicContact CB-CG 4.47Å; Q536-L540 HydrophobicContact CG-CD1 4.16Å; Q536-L540 WeakPolarHBondContact O-CG 3.43Å; Q536-L540 PolarHBondContact O-N 3.33Å; Q536-L540 VanDerWaalsContact O-N 3.12Å; L537-L540 PolarHBondContact O-N 3.24Å
541L89.9Confident92.5Very high14 Ų1433.7 Ų33.77%0.07317%0.169CC..THydrogen-bonded Turntrans-126.1167.5-179-60.3172.1000110.3A451 A454 F508 M512 L537 C538 A543 I546A451-L541 HydrophobicContact CB-CD1 4.3Å; A451-L541 HydrophobicContact CB-CD2 4.03Å; A451-L541 HydrophobicContact CB-CG 3.95Å; A454-L541 HydrophobicContact CB-CD1 4.36Å; F508-L541 HydrophobicContact CD2-CD1 4.22Å; F508-L541 HydrophobicContact CE2-CD1 4.05Å; M512-L541 HydrophobicContact CE-CD1 4.38Å; L537-L541 PolarHBondContact O-N 3.17Å; C538-L541 CarbonylContact C-O 3.6Å; C538-L541 VanDerWaalsContact O-O 3.12Å; L541-A543 PolarHBondContact O-N 3.05Å; L541-A543 VanDerWaalsContact O-N 3.14Å; L541-I546 HydrophobicContact CB-CD1 3.95Å; L541-I546 HydrophobicContact CB-CG1 4.43Å
542H89Confident92.5Very high103 Ų10334.2 Ų34.248%0.47717%0.166SC..THydrogen-bonded Turntrans-65.3115.7176-65.9-73.8000111.5P502 E544 N545 I546P502-H542 WeakPolarHBondContact CG-CD2 3.42Å; P502-H542 WeakPolarHBondContact CG-NE2 3.41Å; H542-E544 PolarHBondContact O-N 3.39Å; H542-N545 HydrophobicContact CB-CB 4.38Å; H542-N545 PolarHBondContact O-N 2.83Å; H542-N545 VanDerWaalsContact O-N 3.07Å; H542-I546 PolarHBondContact O-N 3.34Å
543A90.1Very high92.4Very high16 Ų1632.3 Ų32.313%0.13216%0.158CC..Hα-helixtrans-55-37.3-179.700000113.5C538 L541 N545 I546 F547 L580 L583C538-A543 HydrophobicContact CB-CB 4.03Å; L541-A543 PolarHBondContact O-N 3.05Å; L541-A543 VanDerWaalsContact O-N 3.14Å; A543-N545 PolarHBondContact O-N 3.18Å; A543-I546 PolarHBondContact O-N 3.42Å; A543-F547 WeakPolarHBondContact O-CD2 3.37Å; A543-F547 PolarHBondContact O-N 3.12Å; A543-L580 HydrophobicContact CB-CD2 3.35Å; A543-L583 HydrophobicContact CB-CD2 4.32Å
544E88.9Confident92.2Very high50 Ų5032.3 Ų32.323%0.23416%0.158CC..Hα-helixtrans-57.3-48.7175.7-179.8172.8-179.600111.9H542 I546 F547 H548 L583 L598H542-E544 PolarHBondContact O-N 3.39Å; E544-I546 VanDerWaalsContact C-N 3.32Å; E544-I546 PolarHBondContact O-N 3.13Å; E544-F547 PolarHBondContact O-N 3Å; E544-H548 WeakPolarHBondContact O-CB 3.4Å; E544-H548 PolarHBondContact O-N 3.17Å; E544-L583 HydrophobicContact CB-CD1 3.96Å; E544-L583 HydrophobicContact CG-CD1 4.42Å; E544-L598 HydrophobicContact CG-CD1 4.25Å; E544-L598 HydrophobicContact CG-CD2 4.09Å
545N89.8Confident92Very high34 Ų3435 Ų3518%0.18217%0.172CC..Hα-helixtrans-62.9-39.6179.3-65.7-13.5000111.4M504 F508 H542 A543 S549M504-N545 HydrophobicContact CG-CB 4.46Å; M504-N545 WeakPolarHBondContact CG-ND2 3.37Å; F508-N545 HydrophobicContact CE1-CB 4.33Å; F508-N545 HydrophobicContact CE2-CB 4.42Å; F508-N545 HydrophobicContact CZ-CB 3.79Å; H542-N545 HydrophobicContact CB-CB 4.38Å; H542-N545 PolarHBondContact O-N 2.83Å; H542-N545 VanDerWaalsContact O-N 3.07Å; A543-N545 PolarHBondContact O-N 3.18Å; N545-S549 VanDerWaalsContact O-CB 3.25Å; N545-S549 WeakPolarHBondContact O-CB 3.39Å; N545-S549 PolarHBondContact O-N 2.95Å; N545-S549 PolarHBondContact O-OG 3.33Å
546I92.9Very high91.7Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-63.2-53.5177.3-66.6164.7000110.1F508 M512 L537 L541 H542 A543 E544 H548 S549 M550F508-I546 HydrophobicContact CE2-CG1 4.39Å; F508-I546 HydrophobicContact CZ-CG1 4.45Å; M512-I546 HydrophobicContact CE-CG1 4.16Å; M512-I546 HydrophobicContact SD-CG2 4.36Å; L537-I546 VanDerWaalsContact C-CD1 3.4Å; L537-I546 HydrophobicContact CB-CD1 3.84Å; L537-I546 VanDerWaalsContact O-CD1 3.27Å; L537-I546 WeakPolarHBondContact O-CD1 3.11Å; L541-I546 HydrophobicContact CB-CD1 3.95Å; L541-I546 HydrophobicContact CB-CG1 4.43Å; H542-I546 PolarHBondContact O-N 3.34Å; A543-I546 PolarHBondContact O-N 3.42Å; E544-I546 VanDerWaalsContact C-N 3.32Å; E544-I546 PolarHBondContact O-N 3.13Å; I546-H548 VanDerWaalsContact C-N 3.35Å; I546-H548 PolarHBondContact O-N 3.15Å; I546-S549 PolarHBondContact O-N 3.17Å; I546-S549 PolarHBondContact O-OG 3.19Å; I546-M550 HydrophobicContact CG2-CE 3.81Å; I546-M550 HydrophobicContact CG2-CG 4.33Å; I546-M550 HydrophobicContact CG2-SD 3.79Å; I546-M550 WeakPolarHBondContact O-CB 3.39Å; I546-M550 VanDerWaalsContact O-CG 3.3Å; I546-M550 WeakPolarHBondContact O-CG 3.5Å; I546-M550 PolarHBondContact O-N 3.39Å
547F93Very high91.5Very high0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-63.9-40.8-178.1-90.4-97.8000111.9A543 E544 A551 L570 I573 L574 L580 L583 L602 W606A543-F547 WeakPolarHBondContact O-CD2 3.37Å; A543-F547 PolarHBondContact O-N 3.12Å; E544-F547 PolarHBondContact O-N 3Å; F547-A551 WeakPolarHBondContact O-CB 3.25Å; F547-A551 PolarHBondContact O-N 3.31Å; F547-L570 HydrophobicContact CE1-CB 4.17Å; F547-L570 HydrophobicContact CE1-CD2 4.22Å; F547-L570 HydrophobicContact CZ-CD2 4.32Å; F547-I573 HydrophobicContact CZ-CG2 4.34Å; F547-L574 HydrophobicContact CE1-CB 3.93Å; F547-L574 HydrophobicContact CE1-CD1 4.35Å; F547-L574 HydrophobicContact CZ-CB 4.14Å; F547-L580 HydrophobicContact CE2-CD1 3.57Å; F547-L580 HydrophobicContact CE2-CD2 4Å; F547-L580 HydrophobicContact CE2-CG 4.48Å; F547-L580 HydrophobicContact CZ-CD1 3.58Å; F547-L583 HydrophobicContact CB-CD2 4.38Å; F547-L583 HydrophobicContact CD2-CD2 3.93Å; F547-L583 HydrophobicContact CE2-CD2 4.39Å; F547-L583 HydrophobicContact CG-CD2 4.07Å; F547-L602 HydrophobicContact CB-CD2 4.07Å; F547-L602 HydrophobicContact CD1-CD2 4.27Å; F547-W606 AromaticContact CD1-CH2 3.86Å; F547-W606 HydrophobicContact CD1-CH2 3.86Å; F547-W606 HydrophobicContact CD1-CZ2 4.24Å; F547-W606 HydrophobicContact CE1-CH2 4.14Å; F547-W606 HydrophobicContact CE1-CZ2 4.18Å
548H91.3Very high91.2Very high70 Ų7045.3 Ų45.332%0.32422%0.223SC..Hα-helixtrans-64.4-46.7176.3-173.5-75.3000112.3E544 I546 A551 D552 L598E544-H548 WeakPolarHBondContact O-CB 3.4Å; E544-H548 PolarHBondContact O-N 3.17Å; I546-H548 VanDerWaalsContact C-N 3.35Å; I546-H548 PolarHBondContact O-N 3.15Å; H548-A551 PolarHBondContact O-N 3.39Å; H548-D552 PolarHBondContact O-N 3.26Å; H548-L598 HydrophobicContact CB-CD1 4.02Å
549S92.3Very high91Very high0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-68.1-43179.857.80000112.5M512 N545 I546 A551 D552 I553M512-S549 WeakPolarHBondContact CG-OG 3.19Å; N545-S549 VanDerWaalsContact O-CB 3.25Å; N545-S549 WeakPolarHBondContact O-CB 3.39Å; N545-S549 PolarHBondContact O-N 2.95Å; N545-S549 PolarHBondContact O-OG 3.33Å; I546-S549 PolarHBondContact O-N 3.17Å; I546-S549 PolarHBondContact O-OG 3.19Å; S549-A551 VanDerWaalsContact C-N 3.3Å; S549-A551 PolarHBondContact O-N 3.04Å; S549-D552 PolarHBondContact O-N 3.4Å; S549-I553 WeakPolarHBondContact O-CD1 3.49Å; S549-I553 WeakPolarHBondContact O-CG1 3.45Å; S549-I553 PolarHBondContact O-N 2.86Å
550M94.2Very high90.9Very high0 Ų042.8 Ų42.80%021%0.209CC..Hα-helixtrans-61.3-39.9174.5-72.1-176172.300111.4M512 L515 L516 I534 I546 I553 L554 M566 L570M512-M550 HydrophobicContact SD-CE 3.79Å; M512-M550 HydrophobicContact SD-CG 4.35Å; L515-M550 HydrophobicContact CD2-CE 3.9Å; L516-M550 HydrophobicContact CD1-CB 4.46Å; L516-M550 HydrophobicContact CD1-CG 4.36Å; I534-M550 HydrophobicContact CG1-CE 4.32Å; I546-M550 HydrophobicContact CG2-CE 3.81Å; I546-M550 HydrophobicContact CG2-CG 4.33Å; I546-M550 HydrophobicContact CG2-SD 3.79Å; I546-M550 WeakPolarHBondContact O-CB 3.39Å; I546-M550 VanDerWaalsContact O-CG 3.3Å; I546-M550 WeakPolarHBondContact O-CG 3.5Å; I546-M550 PolarHBondContact O-N 3.39Å; M550-I553 PolarHBondContact O-N 3.44Å; M550-L554 VanDerWaalsContact O-CB 3.28Å; M550-L554 WeakPolarHBondContact O-CB 3.26Å; M550-L554 WeakPolarHBondContact O-CD1 3.48Å; M550-L554 WeakPolarHBondContact O-CG 3.36Å; M550-L554 PolarHBondContact O-N 2.99Å; M550-M566 HydrophobicContact SD-CE 4.15Å; M550-L570 HydrophobicContact CB-CD1 4.26Å; M550-L570 HydrophobicContact SD-CD1 4.43Å; M550-L570 HydrophobicContact SD-CD2 3.77Å
551A92.9Very high90.8Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-61.2-48.4174.300000112.6F547 H548 S549 I553 L554 L555 L602 S605 W606F547-A551 WeakPolarHBondContact O-CB 3.25Å; F547-A551 PolarHBondContact O-N 3.31Å; H548-A551 PolarHBondContact O-N 3.39Å; S549-A551 VanDerWaalsContact C-N 3.3Å; S549-A551 PolarHBondContact O-N 3.04Å; A551-I553 VanDerWaalsContact C-N 3.32Å; A551-I553 PolarHBondContact O-N 2.89Å; A551-L554 PolarHBondContact O-N 3.46Å; A551-L555 WeakPolarHBondContact O-CG 3.17Å; A551-L555 PolarHBondContact O-N 3.16Å; A551-L602 HydrophobicContact CB-CD2 3.99Å; A551-S605 WeakPolarHBondContact CA-OG 3.31Å; A551-S605 WeakPolarHBondContact CB-OG 3.25Å; A551-W606 HydrophobicContact CB-CZ3 4.36Å
552D91.9Very high90.9Very high57 Ų5745 Ų4531%0.30522%0.215SC..Hα-helixtrans-63.5-35.7178.3-178.353.1000112.8H548 S549 K556H548-D552 PolarHBondContact O-N 3.26Å; S549-D552 PolarHBondContact O-N 3.4Å; D552-K556 VanDerWaalsContact CG-NZ 3.34Å; D552-K556 IonicContact OD1-NZ 2.6Å; D552-K556 PolarHBondContact OD1-NZ 2.95Å; D552-K556 VanDerWaalsContact OD1-NZ 3.09Å; D552-K556 IonicContact OD2-NZ 3.97Å; D552-K556 PolarHBondContact OD2-NZ 2.97Å
553I91.4Very high91.1Very high24 Ų2440 Ų4012%0.12319%0.193CC..Hα-helixtrans-70-45.9176-62.4160.3000110.3M512 I513 L516 S549 M550 A551 L555 K556 E557M512-I553 HydrophobicContact CB-CD1 3.6Å; I513-I553 HydrophobicContact CB-CD1 4.47Å; I513-I553 HydrophobicContact CG1-CD1 3.63Å; I513-I553 HydrophobicContact CG1-CG1 3.93Å; L516-I553 HydrophobicContact CD1-CB 3.73Å; L516-I553 HydrophobicContact CD1-CD1 4.12Å; L516-I553 HydrophobicContact CD1-CG2 3.53Å; S549-I553 WeakPolarHBondContact O-CD1 3.49Å; S549-I553 WeakPolarHBondContact O-CG1 3.45Å; S549-I553 PolarHBondContact O-N 2.86Å; M550-I553 PolarHBondContact O-N 3.44Å; A551-I553 VanDerWaalsContact C-N 3.32Å; A551-I553 PolarHBondContact O-N 2.89Å; I553-L555 VanDerWaalsContact C-N 3.26Å; I553-L555 PolarHBondContact O-N 3.11Å; I553-K556 PolarHBondContact O-N 2.87Å; I553-E557 PolarHBondContact O-N 3.27Å
554L93Very high91.2Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-65.4-26.9-179.3-72.5169.3000113L516 M550 A551 K556 E557 F562 A563 M566 I567 L570L516-L554 HydrophobicContact CD1-CD2 4.43Å; L516-L554 HydrophobicContact CD1-CG 4.2Å; L516-L554 HydrophobicContact CD2-CD2 4.45Å; M550-L554 VanDerWaalsContact O-CB 3.28Å; M550-L554 WeakPolarHBondContact O-CB 3.26Å; M550-L554 WeakPolarHBondContact O-CD1 3.48Å; M550-L554 WeakPolarHBondContact O-CG 3.36Å; M550-L554 PolarHBondContact O-N 2.99Å; A551-L554 PolarHBondContact O-N 3.46Å; L554-K556 PolarHBondContact O-N 3.26Å; L554-E557 VanDerWaalsContact O-CB 3.29Å; L554-E557 WeakPolarHBondContact O-CB 3.43Å; L554-E557 PolarHBondContact O-N 3.28Å; L554-F562 HydrophobicContact CD2-CE1 4.25Å; L554-A563 HydrophobicContact CD2-CB 4.5Å; L554-M566 HydrophobicContact CD1-CB 4.4Å; L554-M566 HydrophobicContact CD1-CG 3.85Å; L554-M566 HydrophobicContact CD2-CB 4.13Å; L554-M566 HydrophobicContact CD2-CG 4.02Å; L554-I567 HydrophobicContact CD1-CD1 3.71Å; L554-I567 HydrophobicContact CD1-CG1 4.21Å; L554-L570 HydrophobicContact CD1-CD1 3.76Å
555L89.8Confident91.3Very high57 Ų5740.5 Ų40.530%0.29820%0.199SC..THydrogen-bonded Turntrans-60.5-28.3171.8-78.4175.8000113.7A551 I553 R604A551-L555 WeakPolarHBondContact O-CG 3.17Å; A551-L555 PolarHBondContact O-N 3.16Å; I553-L555 VanDerWaalsContact C-N 3.26Å; I553-L555 PolarHBondContact O-N 3.11Å; L555-R604 HydrophobicContact CD1-CB 4.25Å; L555-R604 HydrophobicContact CD2-CB 3.69Å; L555-R604 WeakPolarHBondContact CD2-O 3.47Å
556K89.7Confident91.6Very high128 Ų12838.9 Ų38.956%0.55719%0.19SC*.THydrogen-bonded Turntrans-98.72.9-177.6-63.1163.4-173.1147.90112D552 I553 L554D552-K556 VanDerWaalsContact CG-NZ 3.34Å; D552-K556 IonicContact OD1-NZ 2.6Å; D552-K556 PolarHBondContact OD1-NZ 2.95Å; D552-K556 VanDerWaalsContact OD1-NZ 3.09Å; D552-K556 IonicContact OD2-NZ 3.97Å; D552-K556 PolarHBondContact OD2-NZ 2.97Å; I553-K556 PolarHBondContact O-N 2.87Å; L554-K556 PolarHBondContact O-N 3.26Å
557E90.1Very high91.7Very high46 Ų4638.9 Ų38.922%0.21519%0.19CC..  trans-74.4132.8-174.5-172.556-118.600112I553 L554 D559 F562 A563I553-E557 PolarHBondContact O-N 3.27Å; L554-E557 VanDerWaalsContact O-CB 3.29Å; L554-E557 WeakPolarHBondContact O-CB 3.43Å; L554-E557 PolarHBondContact O-N 3.28Å; E557-D559 PolarHBondContact OE1-N 3.33Å; E557-F562 HydrophobicContact CG-CD1 3.92Å; E557-F562 HydrophobicContact CG-CE1 4.42Å; E557-A563 HydrophobicContact CB-CB 4.28Å; E557-A563 HydrophobicContact CG-CB 4.14Å
558E87.6Confident91.7Very high182 Ų18241.2 Ų41.285%0.8520%0.201SC*.SBendtrans-88-34.6-178.2-65.9-175.2-179.300112.2L560E558-L560 PolarHBondContact O-N 2.93Å
559D90.1Very high91.8Very high37 Ų3739.2 Ų39.220%0.19819%0.193CC..  trans-78.487.3173.8-173.19.4000110.5R523 E557 K561 F562 A563 R755R523-D559 IonicContact NH2-OD2 2.92Å; R523-D559 PolarHBondContact NH2-OD2 3.29Å; E557-D559 PolarHBondContact OE1-N 3.33Å; D559-K561 PolarHBondContact O-N 3.48Å; D559-K561 VanDerWaalsContact O-N 3.1Å; D559-K561 PolarHBondContact OD1-N 3.44Å; D559-F562 HydrophobicContact CB-CB 4Å; D559-F562 WeakPolarHBondContact O-CB 3.46Å; D559-F562 PolarHBondContact O-N 3.25Å; D559-F562 WeakPolarHBondContact OD2-CB 3.17Å; D559-A563 PolarHBondContact O-N 2.95Å; D559-R755 IonicContact OD1-NH2 2.9Å; D559-R755 PolarHBondContact OD1-NH2 3.26Å
560L89.1Confident92Very high21 Ų2139.2 Ų39.211%0.1119%0.193CC..Hα-helixtrans-54.5-30.9178.7-60.4-173.1000113.3E558 S564 K747 H748 V751E558-L560 PolarHBondContact O-N 2.93Å; L560-S564 WeakPolarHBondContact O-CB 3.37Å; L560-S564 PolarHBondContact O-N 3.1Å; L560-K747 HydrophobicContact CD1-CB 4.26Å; L560-H748 PolarHBondContact O-CE1 3.02Å; L560-V751 HydrophobicContact CD1-CB 4.22Å; L560-V751 HydrophobicContact CD1-CG2 3.78Å
561K88.9Confident92Very high115 Ų11539.9 Ų39.950%0.520%0.197SC..Hα-helixtrans-69-46.8177.7-176.3173.8-179.9173.50110.6D559 S564 T565D559-K561 PolarHBondContact O-N 3.48Å; D559-K561 VanDerWaalsContact O-N 3.1Å; D559-K561 PolarHBondContact OD1-N 3.44Å; K561-S564 PolarHBondContact O-N 3.31Å; K561-T565 PolarHBondContact O-N 2.95Å; K561-T565 VanDerWaalsContact O-N 3.11Å; K561-T565 PolarHBondContact O-OG1 3.05Å
562F92.9Very high92Very high4 Ų442.9 Ų42.92%0.01822%0.215CC..Hα-helixtrans-60.5-46174.3167.5-106.4000111.2L516 F519 L526 L554 E557 D559 S564 T565 M566L516-F562 HydrophobicContact CD2-CZ 4.34Å; L516-F562 WeakPolarHBondContact O-CZ 3.39Å; F519-F562 HydrophobicContact CB-CE2 3.74Å; F519-F562 HydrophobicContact CB-CZ 3.96Å; L526-F562 HydrophobicContact CD2-CD2 4.33Å; L526-F562 HydrophobicContact CD2-CE2 3.99Å; L554-F562 HydrophobicContact CD2-CE1 4.25Å; E557-F562 HydrophobicContact CG-CD1 3.92Å; E557-F562 HydrophobicContact CG-CE1 4.42Å; D559-F562 HydrophobicContact CB-CB 4Å; D559-F562 WeakPolarHBondContact O-CB 3.46Å; D559-F562 PolarHBondContact O-N 3.25Å; D559-F562 WeakPolarHBondContact OD2-CB 3.17Å; F562-S564 VanDerWaalsContact C-N 3.31Å; F562-S564 PolarHBondContact O-N 3.39Å; F562-T565 PolarHBondContact O-N 3.07Å; F562-M566 HydrophobicContact CE2-CB 4.39Å; F562-M566 HydrophobicContact CZ-CB 4.32Å; F562-M566 HydrophobicContact CZ-CG 4.46Å; F562-M566 WeakPolarHBondContact O-CB 3.16Å; F562-M566 PolarHBondContact O-N 3.19Å
563A92.7Very high92Very high0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-56.2-44.8177.200000111.8L554 E557 D559 M566 I567 H608L554-A563 HydrophobicContact CD2-CB 4.5Å; E557-A563 HydrophobicContact CB-CB 4.28Å; E557-A563 HydrophobicContact CG-CB 4.14Å; D559-A563 PolarHBondContact O-N 2.95Å; A563-M566 PolarHBondContact O-N 3.06Å; A563-I567 WeakPolarHBondContact O-CB 3.42Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 3.15Å; A563-H608 HydrophobicContact CB-CB 4.29Å
564S91.8Very high92.1Very high28 Ų2839.2 Ų39.220%0.19620%0.196CC..Hα-helixtrans-62.4-46.4177.4-161.50000112.9L560 K561 F562 I567 Q568 H608L560-S564 WeakPolarHBondContact O-CB 3.37Å; L560-S564 PolarHBondContact O-N 3.1Å; K561-S564 PolarHBondContact O-N 3.31Å; F562-S564 VanDerWaalsContact C-N 3.31Å; F562-S564 PolarHBondContact O-N 3.39Å; S564-I567 PolarHBondContact O-N 3.3Å; S564-Q568 WeakPolarHBondContact O-CB 3.25Å; S564-Q568 PolarHBondContact O-N 2.8Å; S564-H608 WeakPolarHBondContact CB-O 3.5Å; S564-H608 PolarHBondContact OG-O 3.38Å
565T92.3Very high92Very high48 Ų4839.2 Ų39.229%0.29420%0.196SC..Hα-helixtrans-65-41.8177.4-57.20000111.9L526 K561 F562 Q568 T569L526-T565 HydrophobicContact CD2-CG2 4.14Å; K561-T565 PolarHBondContact O-N 2.95Å; K561-T565 VanDerWaalsContact O-N 3.11Å; K561-T565 PolarHBondContact O-OG1 3.05Å; F562-T565 PolarHBondContact O-N 3.07Å; T565-Q568 WeakPolarHBondContact O-CB 3.46Å; T565-Q568 PolarHBondContact O-N 2.7Å; T565-T569 PolarHBondContact O-N 3.41Å; T565-T569 PolarHBondContact O-OG1 2.67Å
566M95.2Very high92Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-63.9-43.1177.9-174.165.8-159.600111.5L516 F519 L526 I534 M550 L554 F562 A563 Q568 T569 L570L516-M566 HydrophobicContact CD2-CE 3.71Å; L516-M566 HydrophobicContact CD2-CG 3.87Å; L516-M566 HydrophobicContact CD2-SD 3.9Å; F519-M566 HydrophobicContact CD2-CE 4.27Å; F519-M566 HydrophobicContact CD2-SD 4.02Å; F519-M566 HydrophobicContact CE2-CE 4.34Å; L526-M566 HydrophobicContact CD1-SD 3.59Å; L526-M566 VanDerWaalsContact CD1-SD 3.59Å; L526-M566 HydrophobicContact CD2-SD 4.3Å; I534-M566 HydrophobicContact CD1-CE 3.41Å; I534-M566 VanDerWaalsContact CD1-CE 3.41Å; I534-M566 HydrophobicContact CG1-CE 4.42Å; M550-M566 HydrophobicContact SD-CE 4.15Å; L554-M566 HydrophobicContact CD1-CB 4.4Å; L554-M566 HydrophobicContact CD1-CG 3.85Å; L554-M566 HydrophobicContact CD2-CB 4.13Å; L554-M566 HydrophobicContact CD2-CG 4.02Å; F562-M566 HydrophobicContact CE2-CB 4.39Å; F562-M566 HydrophobicContact CZ-CB 4.32Å; F562-M566 HydrophobicContact CZ-CG 4.46Å; F562-M566 WeakPolarHBondContact O-CB 3.16Å; F562-M566 PolarHBondContact O-N 3.19Å; A563-M566 PolarHBondContact O-N 3.06Å; M566-Q568 VanDerWaalsContact C-N 3.33Å; M566-Q568 PolarHBondContact O-N 2.73Å; M566-T569 PolarHBondContact O-N 3.06Å; M566-L570 HydrophobicContact CE-CD1 4.04Å; M566-L570 HydrophobicContact CE-CD2 3.86Å; M566-L570 HydrophobicContact CE-CG 3.79Å; M566-L570 HydrophobicContact CG-CD1 4.32Å; M566-L570 WeakPolarHBondContact O-CG 3.2Å; M566-L570 PolarHBondContact O-N 3.47Å
567I95.1Very high92.1Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-62.5-40.6175-68.9-69.1000111.1L554 A563 S564 T569 L570 N571 S605 W606 H608 N609 A612L554-I567 HydrophobicContact CD1-CD1 3.71Å; L554-I567 HydrophobicContact CD1-CG1 4.21Å; A563-I567 WeakPolarHBondContact O-CB 3.42Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 3.15Å; S564-I567 PolarHBondContact O-N 3.3Å; I567-T569 VanDerWaalsContact C-N 3.32Å; I567-T569 PolarHBondContact O-N 2.74Å; I567-L570 PolarHBondContact O-N 2.92Å; I567-N571 WeakPolarHBondContact O-CB 3.34Å; I567-N571 PolarHBondContact O-N 3.34Å; I567-S605 WeakPolarHBondContact CD1-O 3.28Å; I567-W606 HydrophobicContact CD1-CD2 4.01Å; I567-W606 HydrophobicContact CD1-CE3 3.38Å; I567-W606 HydrophobicContact CD1-CH2 4.31Å; I567-W606 HydrophobicContact CD1-CZ3 3.56Å; I567-W606 HydrophobicContact CG2-CB 4.34Å; I567-W606 HydrophobicContact CG2-CD2 4.07Å; I567-W606 HydrophobicContact CG2-CG 4Å; I567-H608 HydrophobicContact CG1-CB 4.39Å; I567-N609 HydrophobicContact CB-CB 4.33Å; I567-N609 HydrophobicContact CG2-CB 3.76Å; I567-A612 HydrophobicContact CG2-CB 3.88Å
568Q93.1Very high92Very high49 Ų4935.5 Ų35.523%0.22920%0.197CC..Hα-helixtrans-58.5-44.9174.6-173.2-168.418.700111.4S564 T565 M566 N571 T572 E645S564-Q568 WeakPolarHBondContact O-CB 3.25Å; S564-Q568 PolarHBondContact O-N 2.8Å; T565-Q568 WeakPolarHBondContact O-CB 3.46Å; T565-Q568 PolarHBondContact O-N 2.7Å; M566-Q568 VanDerWaalsContact C-N 3.33Å; M566-Q568 PolarHBondContact O-N 2.73Å; Q568-N571 PolarHBondContact O-N 3.49Å; Q568-T572 WeakPolarHBondContact O-CB 3.34Å; Q568-T572 PolarHBondContact O-N 2.85Å; Q568-T572 PolarHBondContact O-OG1 3.01Å; Q568-E645 WeakPolarHBondContact CG-OE1 3.49Å; Q568-E645 PolarHBondContact NE2-OE1 3.29Å
569T94.3Very high92Very high27 Ų2729.7 Ų29.717%0.16617%0.17CC..Hα-helixtrans-63.4-49.8176.2-63.90000111.3L526 I534 T565 M566 I567 N571 T572 I573L526-T569 HydrophobicContact CD1-CG2 4.32Å; I534-T569 HydrophobicContact CD1-CG2 4.34Å; T565-T569 PolarHBondContact O-N 3.41Å; T565-T569 PolarHBondContact O-OG1 2.67Å; M566-T569 PolarHBondContact O-N 3.06Å; I567-T569 VanDerWaalsContact C-N 3.32Å; I567-T569 PolarHBondContact O-N 2.74Å; T569-N571 VanDerWaalsContact C-N 3.31Å; T569-N571 PolarHBondContact O-N 2.83Å; T569-T572 PolarHBondContact O-N 3.39Å; T569-I573 HydrophobicContact CG2-CD1 3.8Å; T569-I573 VanDerWaalsContact O-CG1 3.22Å; T569-I573 WeakPolarHBondContact O-CG1 3.46Å; T569-I573 PolarHBondContact O-N 3.43Å
570L95.1Very high92Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-59.1-41.2177.4-72173.7000112.4I534 F547 M550 L554 M566 I567 I573 L574 W606I534-L570 HydrophobicContact CD1-CD2 4.04Å; I534-L570 HydrophobicContact CG2-CD2 4.09Å; F547-L570 HydrophobicContact CE1-CB 4.17Å; F547-L570 HydrophobicContact CE1-CD2 4.22Å; F547-L570 HydrophobicContact CZ-CD2 4.32Å; M550-L570 HydrophobicContact CB-CD1 4.26Å; M550-L570 HydrophobicContact SD-CD1 4.43Å; M550-L570 HydrophobicContact SD-CD2 3.77Å; L554-L570 HydrophobicContact CD1-CD1 3.76Å; M566-L570 HydrophobicContact CE-CD1 4.04Å; M566-L570 HydrophobicContact CE-CD2 3.86Å; M566-L570 HydrophobicContact CE-CG 3.79Å; M566-L570 HydrophobicContact CG-CD1 4.32Å; M566-L570 WeakPolarHBondContact O-CG 3.2Å; M566-L570 PolarHBondContact O-N 3.47Å; I567-L570 PolarHBondContact O-N 2.92Å; L570-I573 PolarHBondContact O-N 3.5Å; L570-L574 WeakPolarHBondContact O-CB 3.16Å; L570-L574 PolarHBondContact O-N 2.75Å; L570-W606 HydrophobicContact CB-CH2 3.73Å; L570-W606 HydrophobicContact CB-CZ2 3.79Å; L570-W606 HydrophobicContact CD1-CH2 3.88Å; L570-W606 HydrophobicContact CD1-CZ3 4.32Å; L570-W606 HydrophobicContact CG-CH2 4.41Å
571N94.3Very high91.9Very high14 Ų1432.9 Ų32.98%0.07518%0.182CC..Hα-helixtrans-65.7-43.7177.9-171.965.2000112I567 Q568 T569 I573 L574 L575 W606 A612 S615I567-N571 WeakPolarHBondContact O-CB 3.34Å; I567-N571 PolarHBondContact O-N 3.34Å; Q568-N571 PolarHBondContact O-N 3.49Å; T569-N571 VanDerWaalsContact C-N 3.31Å; T569-N571 PolarHBondContact O-N 2.83Å; N571-I573 VanDerWaalsContact C-N 3.31Å; N571-I573 PolarHBondContact O-N 3.1Å; N571-L574 PolarHBondContact O-N 3.34Å; N571-L575 WeakPolarHBondContact O-CG 3.38Å; N571-L575 PolarHBondContact O-N 3.45Å; N571-W606 PolarHBondContact OD1-NE1 3.46Å; N571-A612 HydrophobicContact CB-CB 3.84Å; N571-S615 VanDerWaalsContact CG-OG 3.27Å; N571-S615 PolarHBondContact ND2-OG 2.95Å; N571-S615 PolarHBondContact OD1-OG 3.2Å
572T92.8Very high91.8Very high63 Ų6334.7 Ų34.739%0.38719%0.192SC..Hα-helixtrans-60.6-44.5175.3-57.40000110.4Q568 T569 L575 T576Q568-T572 WeakPolarHBondContact O-CB 3.34Å; Q568-T572 PolarHBondContact O-N 2.85Å; Q568-T572 PolarHBondContact O-OG1 3.01Å; T569-T572 PolarHBondContact O-N 3.39Å; T572-L575 PolarHBondContact O-N 2.95Å; T572-T576 HydrophobicContact CG2-CG2 4.37Å; T572-T576 WeakPolarHBondContact O-CB 3.37Å; T572-T576 WeakPolarHBondContact O-CG2 3.26Å; T572-T576 PolarHBondContact O-N 3.14Å; T572-T576 PolarHBondContact O-OG1 2.71Å
573I93.6Very high91.6Very high4 Ų434.8 Ų34.82%0.02119%0.193CC..Hα-helixtrans-61.8-49.6176.6-66.8166.5000110.4A531 I534 R535 F547 T569 L570 N571 L575 T576 S577 L580A531-I573 HydrophobicContact CB-CD1 4.18Å; A531-I573 HydrophobicContact CB-CG1 4.29Å; I534-I573 HydrophobicContact CB-CD1 3.8Å; I534-I573 HydrophobicContact CD1-CD1 3.78Å; I534-I573 HydrophobicContact CG1-CD1 4.42Å; I534-I573 HydrophobicContact CG2-CD1 3.79Å; I534-I573 HydrophobicContact CG2-CG2 4.34Å; R535-I573 HydrophobicContact CG-CG2 3.85Å; F547-I573 HydrophobicContact CZ-CG2 4.34Å; T569-I573 HydrophobicContact CG2-CD1 3.8Å; T569-I573 VanDerWaalsContact O-CG1 3.22Å; T569-I573 WeakPolarHBondContact O-CG1 3.46Å; T569-I573 PolarHBondContact O-N 3.43Å; L570-I573 PolarHBondContact O-N 3.5Å; N571-I573 VanDerWaalsContact C-N 3.31Å; N571-I573 PolarHBondContact O-N 3.1Å; I573-L575 VanDerWaalsContact C-N 3.28Å; I573-L575 PolarHBondContact O-N 3.16Å; I573-T576 PolarHBondContact O-N 3.24Å; I573-S577 WeakPolarHBondContact CA-OG 3.43Å; I573-S577 WeakPolarHBondContact CG2-OG 3.49Å; I573-S577 WeakPolarHBondContact O-CB 3.45Å; I573-S577 PolarHBondContact O-N 2.94Å; I573-S577 PolarHBondContact O-OG 3.43Å; I573-L580 HydrophobicContact CG2-CD1 3.73Å
574L93.3Very high91.4Very high0 Ų036.1 Ų36.10%020%0.198CC..Hα-helixtrans-54-45.4178.9-179.461.9000111.9F547 L570 N571 L580 L583 R584 L587 L616 L619F547-L574 HydrophobicContact CE1-CB 3.93Å; F547-L574 HydrophobicContact CE1-CD1 4.35Å; F547-L574 HydrophobicContact CZ-CB 4.14Å; L570-L574 WeakPolarHBondContact O-CB 3.16Å; L570-L574 PolarHBondContact O-N 2.75Å; N571-L574 PolarHBondContact O-N 3.34Å; L574-L580 HydrophobicContact CD1-CD1 4.32Å; L574-L583 HydrophobicContact CD1-CD2 3.92Å; L574-L583 HydrophobicContact CD1-CG 4.39Å; L574-R584 HydrophobicContact CD1-CG 4.22Å; L574-R584 WeakPolarHBondContact O-CD 3.36Å; L574-R584 WeakPolarHBondContact O-CG 3.39Å; L574-L587 HydrophobicContact CD1-CD1 4.38Å; L574-L587 HydrophobicContact CD2-CD1 4.33Å; L574-L616 HydrophobicContact CD2-CD1 4.24Å; L574-L619 HydrophobicContact CD2-CD2 3.91Å; L574-L619 HydrophobicContact CG-CD2 4.13Å
575L90.6Very high91.2Very high0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-77.1-41.5-177-64.7176000111.8N571 T572 I573 R584 L619 L652 I657 F658N571-L575 WeakPolarHBondContact O-CG 3.38Å; N571-L575 PolarHBondContact O-N 3.45Å; T572-L575 PolarHBondContact O-N 2.95Å; I573-L575 VanDerWaalsContact C-N 3.28Å; I573-L575 PolarHBondContact O-N 3.16Å; L575-R584 PolarHBondContact O-NH1 3.26Å; L575-L619 HydrophobicContact CD2-CB 4.44Å; L575-L619 HydrophobicContact CD2-CD1 4.17Å; L575-L619 HydrophobicContact CD2-CD2 4.22Å; L575-L652 HydrophobicContact CB-CD1 4.48Å; L575-L652 HydrophobicContact CD1-CD1 3.85Å; L575-I657 HydrophobicContact CB-CD1 4.47Å; L575-I657 HydrophobicContact CD2-CG2 4.36Å; L575-I657 WeakPolarHBondContact O-CD1 3.42Å; L575-I657 WeakPolarHBondContact O-CG1 3.3Å; L575-F658 HydrophobicContact CD1-CE2 4.37Å; L575-F658 HydrophobicContact CD1-CZ 4.42Å; L575-F658 HydrophobicContact CD2-CE2 4.29Å; L575-F658 HydrophobicContact CD2-CZ 3.85Å
576T90Very high90.8Very high72 Ų7240.4 Ų40.444%0.44221%0.214SC..Hα-helixtrans-96.6-26.1-167.562.90000115.3T572 I573 L652 I657T572-T576 HydrophobicContact CG2-CG2 4.37Å; T572-T576 WeakPolarHBondContact O-CB 3.37Å; T572-T576 WeakPolarHBondContact O-CG2 3.26Å; T572-T576 PolarHBondContact O-N 3.14Å; T572-T576 PolarHBondContact O-OG1 2.71Å; I573-T576 PolarHBondContact O-N 3.24Å; T576-L652 HydrophobicContact CG2-CD2 3.85Å; T576-I657 HydrophobicContact CG2-CD1 4.31Å
577S91.8Very high90.3Very high5 Ų540.4 Ų40.44%0.03521%0.214CC..  trans-78.1132-171-52.50000111.3R535 I573 E579 L580 R584R535-S577 WeakPolarHBondContact CD-OG 3.34Å; I573-S577 WeakPolarHBondContact CA-OG 3.43Å; I573-S577 WeakPolarHBondContact CG2-OG 3.49Å; I573-S577 WeakPolarHBondContact O-CB 3.45Å; I573-S577 PolarHBondContact O-N 2.94Å; I573-S577 PolarHBondContact O-OG 3.43Å; S577-E579 VanDerWaalsContact C-N 3.29Å; S577-E579 WeakPolarHBondContact CB-OE2 3.47Å; S577-E579 PolarHBondContact O-N 2.78Å; S577-L580 PolarHBondContact O-N 2.99Å; S577-R584 PolarHBondContact O-NH2 2.94Å
578A88.3Confident89.8Confident76 Ų7642.7 Ų42.763%0.62822%0.224SC*.G310 helixtrans-67.1-34.5-178.300000111.8L580 F581A578-L580 PolarHBondContact O-N 3.14Å; A578-L580 VanDerWaalsContact O-N 3.14Å; A578-F581 VanDerWaalsContact O-CB 3.31Å; A578-F581 WeakPolarHBondContact O-CB 3.42Å; A578-F581 PolarHBondContact O-N 3.07Å; A578-F581 VanDerWaalsContact O-N 3.07Å
579E86.9Confident88.5Confident60 Ų6044.3 Ų44.328%0.2823%0.234SC..G310 helixtrans-58.9-25.6-179.4-52.587.5161.100112.1R535 L539 S577R535-E579 IonicContact CZ-OE1 3.96Å; R535-E579 IonicContact NE-OE1 3.45Å; R535-E579 PolarHBondContact NE-OE1 3.44Å; R535-E579 IonicContact NE-OE2 3.71Å; R535-E579 IonicContact NH2-OE1 3.15Å; R535-E579 PolarHBondContact NH2-OE1 3.01Å; R535-E579 IonicContact NH2-OE2 2.89Å; L539-E579 HydrophobicContact CD1-CG 4.03Å; L539-E579 HydrophobicContact CD2-CB 3.89Å; L539-E579 HydrophobicContact CD2-CG 3.42Å; L539-E579 VanDerWaalsContact CD2-CG 3.42Å; L539-E579 HydrophobicContact CG-CB 4.29Å; L539-E579 HydrophobicContact CG-CG 3.71Å; S577-E579 VanDerWaalsContact C-N 3.29Å; S577-E579 WeakPolarHBondContact CB-OE2 3.47Å; S577-E579 PolarHBondContact O-N 2.78Å
580L90.4Very high87.7Confident1 Ų144.3 Ų44.31%0.00523%0.233CC..G310 helixtrans-95.116.8-179.7-61.5180000113.8C538 A543 F547 I573 L574 S577 A578 Q582 L583 R584C538-L580 HydrophobicContact CB-CD2 4.02Å; A543-L580 HydrophobicContact CB-CD2 3.35Å; F547-L580 HydrophobicContact CE2-CD1 3.57Å; F547-L580 HydrophobicContact CE2-CD2 4Å; F547-L580 HydrophobicContact CE2-CG 4.48Å; F547-L580 HydrophobicContact CZ-CD1 3.58Å; I573-L580 HydrophobicContact CG2-CD1 3.73Å; L574-L580 HydrophobicContact CD1-CD1 4.32Å; S577-L580 PolarHBondContact O-N 2.99Å; A578-L580 PolarHBondContact O-N 3.14Å; A578-L580 VanDerWaalsContact O-N 3.14Å; L580-Q582 VanDerWaalsContact C-N 3.34Å; L580-Q582 PolarHBondContact O-N 3.33Å; L580-L583 HydrophobicContact CD2-CD2 4.09Å; L580-L583 PolarHBondContact O-N 3.34Å; L580-R584 WeakPolarHBondContact O-CB 3.4Å; L580-R584 WeakPolarHBondContact O-CG 3.46Å; L580-R584 PolarHBondContact O-N 3.09Å; L580-R584 PolarHBondContact O-NE 3.46Å
581F87.3Confident86.5Confident125 Ų12551.4 Ų51.455%0.54827%0.265SS..Hα-helixtrans-58.4-43.6177.7-178.8-104.2000112.9A578 R584 N585A578-F581 VanDerWaalsContact O-CB 3.31Å; A578-F581 WeakPolarHBondContact O-CB 3.42Å; A578-F581 PolarHBondContact O-N 3.07Å; A578-F581 VanDerWaalsContact O-N 3.07Å; F581-R584 PolarHBondContact O-N 2.92Å; F581-N585 WeakPolarHBondContact CE1-ND2 3.28Å; F581-N585 WeakPolarHBondContact CZ-ND2 3.3Å; F581-N585 PolarHBondContact O-N 3.23Å; F581-N585 VanDerWaalsContact O-N 3.13Å; F581-N585 PolarHBondContact O-ND2 2.95Å
582Q86.3Confident85.8Confident153 Ų15354.1 Ų54.172%0.71528%0.283SS*.Hα-helixtrans-64.8-47.6178.9-68.1-179.1-7.200111.8L580 R584 N585 Q586L580-Q582 VanDerWaalsContact C-N 3.34Å; L580-Q582 PolarHBondContact O-N 3.33Å; Q582-R584 VanDerWaalsContact C-N 3.32Å; Q582-R584 PolarHBondContact O-N 3.21Å; Q582-N585 PolarHBondContact O-N 3.38Å; Q582-N585 VanDerWaalsContact O-N 3.16Å; Q582-Q586 WeakPolarHBondContact O-CG 3.24Å; Q582-Q586 PolarHBondContact O-N 3.49Å
583L87.6Confident85.1Confident6 Ų658.3 Ų58.33%0.03130%0.298CS..Hα-helixtrans-59.2-41.8177.8-171.165.4000112A543 E544 F547 L574 L580 N585 Q586 L587 L598A543-L583 HydrophobicContact CB-CD2 4.32Å; E544-L583 HydrophobicContact CB-CD1 3.96Å; E544-L583 HydrophobicContact CG-CD1 4.42Å; F547-L583 HydrophobicContact CB-CD2 4.38Å; F547-L583 HydrophobicContact CD2-CD2 3.93Å; F547-L583 HydrophobicContact CE2-CD2 4.39Å; F547-L583 HydrophobicContact CG-CD2 4.07Å; L574-L583 HydrophobicContact CD1-CD2 3.92Å; L574-L583 HydrophobicContact CD1-CG 4.39Å; L580-L583 HydrophobicContact CD2-CD2 4.09Å; L580-L583 PolarHBondContact O-N 3.34Å; L583-N585 PolarHBondContact O-N 2.93Å; L583-Q586 PolarHBondContact O-N 3.47Å; L583-L587 HydrophobicContact CG-CD1 4.46Å; L583-L587 WeakPolarHBondContact O-CG 3.37Å; L583-L587 PolarHBondContact O-N 3.11Å; L583-L598 HydrophobicContact CD1-CD2 3.67Å
584R90.3Very high84.3Confident28 Ų2864.2 Ų64.211%0.10633%0.326CS..Hα-helixtrans-61.5-42.8175.5-78.5-177.6-75-177.73.5112.4L574 L575 S577 L580 F581 Q582 L587 K588 L619L574-R584 HydrophobicContact CD1-CG 4.22Å; L574-R584 WeakPolarHBondContact O-CD 3.36Å; L574-R584 WeakPolarHBondContact O-CG 3.39Å; L575-R584 PolarHBondContact O-NH1 3.26Å; S577-R584 PolarHBondContact O-NH2 2.94Å; L580-R584 WeakPolarHBondContact O-CB 3.4Å; L580-R584 WeakPolarHBondContact O-CG 3.46Å; L580-R584 PolarHBondContact O-N 3.09Å; L580-R584 PolarHBondContact O-NE 3.46Å; F581-R584 PolarHBondContact O-N 2.92Å; Q582-R584 VanDerWaalsContact C-N 3.32Å; Q582-R584 PolarHBondContact O-N 3.21Å; R584-L587 PolarHBondContact O-N 3.37Å; R584-K588 WeakPolarHBondContact O-CB 3.37Å; R584-K588 PolarHBondContact O-N 3.04Å; R584-L619 HydrophobicContact CB-CD1 4.38Å; R584-L619 HydrophobicContact CG-CD1 4.17Å; R584-L619 HydrophobicContact CG-CD2 4.22Å
585N85.8Confident83.8Confident70 Ų7064.5 Ų64.537%0.37433%0.328SS..Hα-helixtrans-67.7-37.8178.2-72.3-26.5000112F581 Q582 L583 L587 K588F581-N585 WeakPolarHBondContact CE1-ND2 3.28Å; F581-N585 WeakPolarHBondContact CZ-ND2 3.3Å; F581-N585 PolarHBondContact O-N 3.23Å; F581-N585 VanDerWaalsContact O-N 3.13Å; F581-N585 PolarHBondContact O-ND2 2.95Å; Q582-N585 PolarHBondContact O-N 3.38Å; Q582-N585 VanDerWaalsContact O-N 3.16Å; L583-N585 PolarHBondContact O-N 2.93Å; N585-L587 VanDerWaalsContact C-N 3.34Å; N585-L587 PolarHBondContact O-N 3.1Å; N585-K588 PolarHBondContact O-N 2.86Å
586Q84.4Confident83.5Confident96 Ų9665.4 Ų65.445%0.44933%0.334SS..Hα-helixtrans-60.8-42.5173.6-72172.6-32.600111.8Q582 L583 K588 S595Q582-Q586 WeakPolarHBondContact O-CG 3.24Å; Q582-Q586 PolarHBondContact O-N 3.49Å; L583-Q586 PolarHBondContact O-N 3.47Å; Q586-K588 VanDerWaalsContact C-N 3.32Å; Q586-K588 PolarHBondContact O-N 3.27Å; Q586-S595 WeakPolarHBondContact O-CB 3.45Å
587L86.1Confident83.2Confident0 Ų064.7 Ų64.70%034%0.335CS..Hα-helixtrans-70.8-24.5177.5-74.2172.4000113.7L574 L583 R584 N585 L598 F599 L602 L619 T620L574-L587 HydrophobicContact CD1-CD1 4.38Å; L574-L587 HydrophobicContact CD2-CD1 4.33Å; L583-L587 HydrophobicContact CG-CD1 4.46Å; L583-L587 WeakPolarHBondContact O-CG 3.37Å; L583-L587 PolarHBondContact O-N 3.11Å; R584-L587 PolarHBondContact O-N 3.37Å; N585-L587 VanDerWaalsContact C-N 3.34Å; N585-L587 PolarHBondContact O-N 3.1Å; L587-L598 HydrophobicContact CD2-CD2 3.86Å; L587-L598 HydrophobicContact CD2-CG 4.11Å; L587-L598 HydrophobicContact CG-CD2 4.26Å; L587-F599 HydrophobicContact CD2-CB 4.25Å; L587-L602 HydrophobicContact CD1-CD1 3.97Å; L587-L602 HydrophobicContact CD2-CD1 4.26Å; L587-L619 HydrophobicContact CD1-CD2 4.19Å; L587-T620 HydrophobicContact CB-CG2 4.13Å; L587-T620 WeakPolarHBondContact O-CA 3.33Å; L587-T620 WeakPolarHBondContact O-CB 3.26Å; L587-T620 WeakPolarHBondContact O-CG2 3.35Å
588K83.1Confident83Confident48 Ų4864.6 Ų64.621%0.20933%0.334CS..Hα-helixtrans-69.8-37.3-170.6-179.6171.7176.6-166.10113.9R584 N585 Q586 Q621 Y660R584-K588 WeakPolarHBondContact O-CB 3.37Å; R584-K588 PolarHBondContact O-N 3.04Å; N585-K588 PolarHBondContact O-N 2.86Å; Q586-K588 VanDerWaalsContact C-N 3.32Å; Q586-K588 PolarHBondContact O-N 3.27Å; K588-Q621 HydrophobicContact CG-CG 4.3Å; K588-Q621 PolarHBondContact O-NE2 3.38Å; K588-Y660 HydrophobicContact CD-CD1 4.37Å; K588-Y660 HydrophobicContact CD-CE1 4.42Å; K588-Y660 HydrophobicContact CD-CG 4.49Å; K588-Y660 VanDerWaalsContact CE-CG 3.47Å; K588-Y660 VanDerWaalsContact NZ-CB 3.32Å; K588-Y660 VanDerWaalsContact NZ-CG 3.3Å
589D67.1Low83.1Confident82 Ų8261 Ų6144%0.43930%0.304SS..Hα-helixtrans-110.4-7.1-171-68.3-33.7000113.9H591 Q621D589-H591 PolarHBondContact O-CE1 3.31Å; D589-H591 VanDerWaalsContact O-CE1 3.26Å; D589-H591 PolarHBondContact O-N 3.39Å; D589-H591 PolarHBondContact O-ND1 2.88Å; D589-Q621 PolarHBondContact OD1-NE2 2.82Å
590L76.8Confident83.2Confident28 Ų2859.2 Ų59.215%0.14730%0.298CS..  trans41.437.7176.7-62-179.9000114F599 N622L590-F599 HydrophobicContact CD1-CD1 4.48Å; L590-F599 HydrophobicContact CD1-CG 4.44Å; L590-F599 HydrophobicContact CD2-CB 3.73Å; L590-F599 HydrophobicContact CD2-CG 4.2Å; L590-N622 WeakPolarHBondContact CD1-ND2 3.17Å
591H70.4Confident83.1Confident148 Ų14859.8 Ų59.869%0.68530%0.302SS*.  trans-81.6-20.4-173.3-72.4-24.4000113.2D589D589-H591 PolarHBondContact O-CE1 3.31Å; D589-H591 VanDerWaalsContact O-CE1 3.26Å; D589-H591 PolarHBondContact O-N 3.39Å; D589-H591 PolarHBondContact O-ND1 2.88Å
592T79.4Confident83.3Confident72 Ų7253.9 Ų53.944%0.44228%0.276SS..SBendtrans-109.7151.5-176.166.70000111.4E594 S595 C596T592-E594 PolarHBondContact O-N 3.03Å; T592-S595 PolarHBondContact N-OG 3.43Å; T592-S595 PolarHBondContact O-N 3.22Å; T592-S595 PolarHBondContact O-OG 3.2Å; T592-S595 WeakPolarHBondContact OG1-CB 3.43Å; T592-S595 PolarHBondContact OG1-N 3.43Å; T592-S595 VanDerWaalsContact OG1-N 3.08Å; T592-S595 PolarHBondContact OG1-OG 3.06Å; T592-C596 PolarHBondContact O-N 3.38Å; T592-C596 VanDerWaalsContact O-N 3.09Å
593Q77.2Confident83.7Confident151 Ų15146.6 Ų46.671%0.70624%0.242SC*.Hα-helixtrans-59.5-34.8174.9-175.3174.1-5.200112.1C596 A597Q593-C596 PolarHBondContact O-N 3.48Å; Q593-A597 WeakPolarHBondContact O-CB 3.18Å; Q593-A597 PolarHBondContact O-N 3.03Å
594E77.8Confident83.9Confident128 Ų12850.2 Ų50.260%0.59826%0.256SS*.Hα-helixtrans-65.2-47.2176.5-65.7168.4173.400111.9T592 C596 A597 L598T592-E594 PolarHBondContact O-N 3.03Å; E594-C596 VanDerWaalsContact C-N 3.33Å; E594-C596 PolarHBondContact O-N 2.92Å; E594-A597 PolarHBondContact O-N 3.33Å; E594-L598 WeakPolarHBondContact O-CB 3.28Å; E594-L598 PolarHBondContact O-N 3.4Å
595S82.3Confident84Confident6 Ų648.9 Ų48.94%0.04225%0.251CS..Hα-helixtrans-63.7-36.7176.758.30000112.6Q586 T592 F599Q586-S595 WeakPolarHBondContact O-CB 3.45Å; T592-S595 PolarHBondContact N-OG 3.43Å; T592-S595 PolarHBondContact O-N 3.22Å; T592-S595 PolarHBondContact O-OG 3.2Å; T592-S595 WeakPolarHBondContact OG1-CB 3.43Å; T592-S595 PolarHBondContact OG1-N 3.43Å; T592-S595 VanDerWaalsContact OG1-N 3.08Å; T592-S595 PolarHBondContact OG1-OG 3.06Å; S595-F599 WeakPolarHBondContact O-CB 3.4Å; S595-F599 PolarHBondContact O-N 2.93Å
596C83.8Confident84.5Confident19 Ų1945.6 Ų45.613%0.12823%0.233CC..Hα-helixtrans-65-43.7171.9-71.20000112.4T592 Q593 E594 F599 C600 V732T592-C596 PolarHBondContact O-N 3.38Å; T592-C596 VanDerWaalsContact O-N 3.09Å; Q593-C596 PolarHBondContact O-N 3.48Å; E594-C596 VanDerWaalsContact C-N 3.33Å; E594-C596 PolarHBondContact O-N 2.92Å; C596-F599 PolarHBondContact O-N 3.38Å; C596-C600 PolarHBondContact O-N 3.49Å; C596-C600 PolarHBondContact O-SG 3.19Å; C596-V732 HydrophobicContact CB-CG2 4.13Å
597A84.8Confident84.9Confident57 Ų5741 Ų4147%0.47121%0.211SC..Hα-helixtrans-64.1-43.8177.900000111.5Q593 E594 C600 C601Q593-A597 WeakPolarHBondContact O-CB 3.18Å; Q593-A597 PolarHBondContact O-N 3.03Å; E594-A597 PolarHBondContact O-N 3.33Å; A597-C600 PolarHBondContact O-N 3.39Å; A597-C601 WeakPolarHBondContact O-CB 3.47Å; A597-C601 PolarHBondContact O-N 3.26Å
598L86.2Confident85.1Confident3 Ų341.5 Ų41.52%0.01621%0.214CC..Hα-helixtrans-60.6-48.1174.4-179.867.1000111.1E544 H548 L583 L587 E594 C600 C601 L602E544-L598 HydrophobicContact CG-CD1 4.25Å; E544-L598 HydrophobicContact CG-CD2 4.09Å; H548-L598 HydrophobicContact CB-CD1 4.02Å; L583-L598 HydrophobicContact CD1-CD2 3.67Å; L587-L598 HydrophobicContact CD2-CD2 3.86Å; L587-L598 HydrophobicContact CD2-CG 4.11Å; L587-L598 HydrophobicContact CG-CD2 4.26Å; E594-L598 WeakPolarHBondContact O-CB 3.28Å; E594-L598 PolarHBondContact O-N 3.4Å; L598-C600 VanDerWaalsContact C-N 3.34Å; L598-C600 PolarHBondContact O-N 2.89Å; L598-C601 PolarHBondContact O-N 3.17Å; L598-L602 HydrophobicContact CD1-CD1 4.2Å; L598-L602 HydrophobicContact CD1-CG 4.14Å; L598-L602 HydrophobicContact CG-CD1 4.03Å; L598-L602 HydrophobicContact CG-CG 4.32Å; L598-L602 WeakPolarHBondContact O-CB 3.45Å; L598-L602 VanDerWaalsContact O-CG 3.3Å; L598-L602 WeakPolarHBondContact O-CG 3.21Å; L598-L602 PolarHBondContact O-N 2.93Å
599F90.4Very high85.6Confident0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-56.1-47.5175.5170.3-101.6000111.8L587 L590 S595 C596 C601 L602 Y603 L616 T620 V732 Y734 L737L587-F599 HydrophobicContact CD2-CB 4.25Å; L590-F599 HydrophobicContact CD1-CD1 4.48Å; L590-F599 HydrophobicContact CD1-CG 4.44Å; L590-F599 HydrophobicContact CD2-CB 3.73Å; L590-F599 HydrophobicContact CD2-CG 4.2Å; S595-F599 WeakPolarHBondContact O-CB 3.4Å; S595-F599 PolarHBondContact O-N 2.93Å; C596-F599 PolarHBondContact O-N 3.38Å; F599-C601 VanDerWaalsContact C-N 3.34Å; F599-C601 PolarHBondContact O-N 3.07Å; F599-L602 PolarHBondContact O-N 3.5Å; F599-Y603 HydrophobicContact CE1-CD2 4.44Å; F599-Y603 HydrophobicContact CE2-CD2 4.3Å; F599-Y603 AromaticContact CZ-CD2 3.83Å; F599-Y603 HydrophobicContact CZ-CD2 3.83Å; F599-Y603 WeakPolarHBondContact O-CB 3.34Å; F599-Y603 PolarHBondContact O-N 3.44Å; F599-L616 HydrophobicContact CD2-CD2 4.32Å; F599-L616 HydrophobicContact CD2-CG 4.25Å; F599-L616 HydrophobicContact CE2-CD2 4.27Å; F599-L616 HydrophobicContact CE2-CG 4.1Å; F599-T620 HydrophobicContact CD2-CG2 3.45Å; F599-T620 VanDerWaalsContact CD2-CG2 3.45Å; F599-T620 HydrophobicContact CE2-CG2 3.76Å; F599-T620 WeakPolarHBondContact CE2-OG1 3.4Å; F599-T620 HydrophobicContact CG-CG2 4.43Å; F599-V732 HydrophobicContact CD1-CG1 4.29Å; F599-V732 HydrophobicContact CE1-CG1 4.09Å; F599-Y734 HydrophobicContact CE1-CE1 4.01Å; F599-Y734 HydrophobicContact CZ-CE1 4.34Å; F599-L737 HydrophobicContact CE1-CD1 3.94Å
600C89.1Confident86.7Confident22 Ų2236 Ų3615%0.14919%0.187CC..Hα-helixtrans-62-40.4177.6-71.50000112.4C596 A597 L598 R604C596-C600 PolarHBondContact O-N 3.49Å; C596-C600 PolarHBondContact O-SG 3.19Å; A597-C600 PolarHBondContact O-N 3.39Å; L598-C600 VanDerWaalsContact C-N 3.34Å; L598-C600 PolarHBondContact O-N 2.89Å; C600-R604 VanDerWaalsContact O-CG 3.32Å; C600-R604 WeakPolarHBondContact O-CG 3.48Å; C600-R604 PolarHBondContact O-N 3.36Å; C600-R604 VanDerWaalsContact O-N 3.15Å
601C89.1Confident87.5Confident14 Ų1435 Ų3510%0.09518%0.183CC..Hα-helixtrans-64-50.2177.5-174.30000111.6A597 L598 F599 R604 S605A597-C601 WeakPolarHBondContact O-CB 3.47Å; A597-C601 PolarHBondContact O-N 3.26Å; L598-C601 PolarHBondContact O-N 3.17Å; F599-C601 VanDerWaalsContact C-N 3.34Å; F599-C601 PolarHBondContact O-N 3.07Å; C601-R604 PolarHBondContact O-N 3.25Å; C601-S605 PolarHBondContact O-OG 3.12Å
602L92.3Very high88.6Confident0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-61.5-47.8175.7-64.2179.8000110.7F547 A551 L587 L598 F599 R604 S605 W606 L616F547-L602 HydrophobicContact CB-CD2 4.07Å; F547-L602 HydrophobicContact CD1-CD2 4.27Å; A551-L602 HydrophobicContact CB-CD2 3.99Å; L587-L602 HydrophobicContact CD1-CD1 3.97Å; L587-L602 HydrophobicContact CD2-CD1 4.26Å; L598-L602 HydrophobicContact CD1-CD1 4.2Å; L598-L602 HydrophobicContact CD1-CG 4.14Å; L598-L602 HydrophobicContact CG-CD1 4.03Å; L598-L602 HydrophobicContact CG-CG 4.32Å; L598-L602 WeakPolarHBondContact O-CB 3.45Å; L598-L602 VanDerWaalsContact O-CG 3.3Å; L598-L602 WeakPolarHBondContact O-CG 3.21Å; L598-L602 PolarHBondContact O-N 2.93Å; F599-L602 PolarHBondContact O-N 3.5Å; L602-R604 VanDerWaalsContact C-N 3.32Å; L602-R604 PolarHBondContact O-N 3.36Å; L602-S605 PolarHBondContact O-N 3Å; L602-S605 PolarHBondContact O-OG 2.9Å; L602-W606 HydrophobicContact CB-CD2 4.45Å; L602-W606 HydrophobicContact CB-CE3 4.16Å; L602-W606 HydrophobicContact CB-CZ3 4.39Å; L602-W606 HydrophobicContact CD2-CE3 4.23Å; L602-W606 HydrophobicContact CD2-CH2 3.79Å; L602-W606 HydrophobicContact CD2-CZ3 3.61Å; L602-W606 VanDerWaalsContact O-CB 3.25Å; L602-W606 WeakPolarHBondContact O-CB 3.5Å; L602-W606 PolarHBondContact O-N 3.21Å; L602-L616 HydrophobicContact CB-CD2 3.94Å
603Y93.6Very high89.2Confident0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-54.7-47.6-178.5-174.6-76.9000111.9F599 S605 W606 C607 T613 H625 L629 L737F599-Y603 HydrophobicContact CE1-CD2 4.44Å; F599-Y603 HydrophobicContact CE2-CD2 4.3Å; F599-Y603 AromaticContact CZ-CD2 3.83Å; F599-Y603 HydrophobicContact CZ-CD2 3.83Å; F599-Y603 WeakPolarHBondContact O-CB 3.34Å; F599-Y603 PolarHBondContact O-N 3.44Å; Y603-S605 VanDerWaalsContact C-N 3.27Å; Y603-S605 PolarHBondContact O-N 3.38Å; Y603-W606 PolarHBondContact O-N 2.86Å; Y603-C607 WeakPolarHBondContact CE1-SG 3.47Å; Y603-C607 PolarHBondContact O-N 3.24Å; Y603-C607 PolarHBondContact O-SG 3.32Å; Y603-T613 HydrophobicContact CD2-CG2 3.94Å; Y603-T613 HydrophobicContact CE1-CG2 4.27Å; Y603-T613 HydrophobicContact CE2-CG2 3.43Å; Y603-T613 VanDerWaalsContact CE2-CG2 3.43Å; Y603-H625 AromaticContact CE2-CD2 3.62Å; Y603-H625 AromaticContact CE2-NE2 3.3Å; Y603-H625 VanDerWaalsContact CE2-NE2 3.3Å; Y603-H625 WeakPolarHBondContact CE2-NE2 3.01Å; Y603-H625 AromaticContact CZ-NE2 3.25Å; Y603-H625 PolarHBondContact OH-NE2 3.48Å; Y603-L629 HydrophobicContact CE2-CD1 4.14Å; Y603-L629 WeakPolarHBondContact OH-CD2 3.47Å; Y603-L737 HydrophobicContact CD1-CB 3.85Å; Y603-L737 HydrophobicContact CD1-CD1 4.13Å; Y603-L737 HydrophobicContact CD1-CD2 3.7Å; Y603-L737 HydrophobicContact CD1-CG 4.09Å; Y603-L737 HydrophobicContact CD2-CD1 4.43Å; Y603-L737 HydrophobicContact CE1-CB 3.55Å; Y603-L737 HydrophobicContact CE1-CD1 4.5Å; Y603-L737 HydrophobicContact CE1-CD2 4.27Å; Y603-L737 HydrophobicContact CE1-CG 4.31Å; Y603-L737 WeakPolarHBondContact CE1-O 3.25Å; Y603-L737 HydrophobicContact CG-CD1 4.1Å; Y603-L737 HydrophobicContact CG-CD2 4.28Å
604R92.5Very high90Very high83 Ų8317.5 Ų17.531%0.31310%0.096SC..Hα-helixtrans-61.8-35.1-176.3-72.3179.4-179.8123.14112.8L555 C600 C601 L602 C607 E736 L737 H740L555-R604 HydrophobicContact CD1-CB 4.25Å; L555-R604 HydrophobicContact CD2-CB 3.69Å; L555-R604 WeakPolarHBondContact CD2-O 3.47Å; C600-R604 VanDerWaalsContact O-CG 3.32Å; C600-R604 WeakPolarHBondContact O-CG 3.48Å; C600-R604 PolarHBondContact O-N 3.36Å; C600-R604 VanDerWaalsContact O-N 3.15Å; C601-R604 PolarHBondContact O-N 3.25Å; L602-R604 VanDerWaalsContact C-N 3.32Å; L602-R604 PolarHBondContact O-N 3.36Å; R604-C607 WeakPolarHBondContact O-CB 3.15Å; R604-E736 IonicContact CZ-OE2 3.68Å; R604-E736 IonicContact NE-OE1 3.9Å; R604-E736 IonicContact NE-OE2 3.98Å; R604-E736 IonicContact NH2-OE1 2.95Å; R604-E736 IonicContact NH2-OE2 3.28Å; R604-E736 PolarHBondContact NH2-OE2 2.53Å; R604-L737 HydrophobicContact CG-CD2 4.06Å; R604-H740 PolarHBondContact O-NE2 2.94Å
605S92.9Very high90.7Very high0 Ų011.4 Ų11.40%07%0.068CC..Hα-helixtrans-85-34.6176.150.40000111.8A551 I567 C601 L602 Y603 C607 H608A551-S605 WeakPolarHBondContact CA-OG 3.31Å; A551-S605 WeakPolarHBondContact CB-OG 3.25Å; I567-S605 WeakPolarHBondContact CD1-O 3.28Å; C601-S605 PolarHBondContact O-OG 3.12Å; L602-S605 PolarHBondContact O-N 3Å; L602-S605 PolarHBondContact O-OG 2.9Å; Y603-S605 VanDerWaalsContact C-N 3.27Å; Y603-S605 PolarHBondContact O-N 3.38Å; S605-C607 PolarHBondContact O-N 2.86Å; S605-C607 VanDerWaalsContact O-N 3.14Å; S605-H608 PolarHBondContact O-CD2 2.9Å; S605-H608 PolarHBondContact O-N 3.39Å
606W94.7Very high91.2Very high0 Ų011.1 Ų11.10%07%0.066CC..Hα-helixtrans-60.7-25.7175.2-93.8-127.2000111.3F547 A551 I567 L570 N571 L602 Y603 H608 N609 T613 L616F547-W606 AromaticContact CD1-CH2 3.86Å; F547-W606 HydrophobicContact CD1-CH2 3.86Å; F547-W606 HydrophobicContact CD1-CZ2 4.24Å; F547-W606 HydrophobicContact CE1-CH2 4.14Å; F547-W606 HydrophobicContact CE1-CZ2 4.18Å; A551-W606 HydrophobicContact CB-CZ3 4.36Å; I567-W606 HydrophobicContact CD1-CD2 4.01Å; I567-W606 HydrophobicContact CD1-CE3 3.38Å; I567-W606 HydrophobicContact CD1-CH2 4.31Å; I567-W606 HydrophobicContact CD1-CZ3 3.56Å; I567-W606 HydrophobicContact CG2-CB 4.34Å; I567-W606 HydrophobicContact CG2-CD2 4.07Å; I567-W606 HydrophobicContact CG2-CG 4Å; L570-W606 HydrophobicContact CB-CH2 3.73Å; L570-W606 HydrophobicContact CB-CZ2 3.79Å; L570-W606 HydrophobicContact CD1-CH2 3.88Å; L570-W606 HydrophobicContact CD1-CZ3 4.32Å; L570-W606 HydrophobicContact CG-CH2 4.41Å; N571-W606 PolarHBondContact OD1-NE1 3.46Å; L602-W606 HydrophobicContact CB-CD2 4.45Å; L602-W606 HydrophobicContact CB-CE3 4.16Å; L602-W606 HydrophobicContact CB-CZ3 4.39Å; L602-W606 HydrophobicContact CD2-CE3 4.23Å; L602-W606 HydrophobicContact CD2-CH2 3.79Å; L602-W606 HydrophobicContact CD2-CZ3 3.61Å; L602-W606 VanDerWaalsContact O-CB 3.25Å; L602-W606 WeakPolarHBondContact O-CB 3.5Å; L602-W606 PolarHBondContact O-N 3.21Å; Y603-W606 PolarHBondContact O-N 2.86Å; W606-H608 PolarHBondContact O-N 2.94Å; W606-N609 CarbonylContact O-C 3.5Å; W606-N609 PolarHBondContact O-N 2.81Å; W606-T613 PolarHBondContact O-OG1 3.08Å; W606-L616 HydrophobicContact CB-CD2 4.31Å; W606-L616 HydrophobicContact CG-CD2 4.1Å
607C93.4Very high91.6Very high0 Ų010.2 Ų10.20%06%0.06CC..THydrogen-bonded Turntrans-54.7-17172.2-70.40000114.4Y603 R604 S605 N609 T613 F741 V744 Q745Y603-C607 WeakPolarHBondContact CE1-SG 3.47Å; Y603-C607 PolarHBondContact O-N 3.24Å; Y603-C607 PolarHBondContact O-SG 3.32Å; R604-C607 WeakPolarHBondContact O-CB 3.15Å; S605-C607 PolarHBondContact O-N 2.86Å; S605-C607 VanDerWaalsContact O-N 3.14Å; C607-N609 PolarHBondContact O-N 2.84Å; C607-T613 WeakPolarHBondContact CA-OG1 3.48Å; C607-T613 PolarHBondContact N-OG1 3.29Å; C607-F741 HydrophobicContact CB-CD2 4.22Å; C607-V744 HydrophobicContact CB-CB 4.12Å; C607-V744 HydrophobicContact CB-CG1 4.17Å; C607-V744 HydrophobicContact CB-CG2 4.2Å; C607-V744 WeakPolarHBondContact O-CG1 3.47Å; C607-Q745 PolarHBondContact O-NE2 2.88Å
608H91.1Very high91.9Very high11 Ų117.5 Ų7.55%0.0514%0.037CC..THydrogen-bonded Turntrans-69-16.6170.4-70.8-79.8000113.2A563 S564 I567 S605 W606 H748A563-H608 HydrophobicContact CB-CB 4.29Å; S564-H608 WeakPolarHBondContact CB-O 3.5Å; S564-H608 PolarHBondContact OG-O 3.38Å; I567-H608 HydrophobicContact CG1-CB 4.39Å; S605-H608 PolarHBondContact O-CD2 2.9Å; S605-H608 PolarHBondContact O-N 3.39Å; W606-H608 PolarHBondContact O-N 2.94Å; H608-H748 AromaticContact CG-NE2 3.88Å; H608-H748 AromaticContact ND1-NE2 3.27Å; H608-H748 PolarHBondContact ND1-NE2 2.59Å; H608-H748 PolarHBondContact O-NE2 3.03Å
609N92Very high92.1Very high2 Ų27.6 Ų7.61%0.0114%0.038CC..SBendtrans-130.1112.1172.3-176.7-56.5000110.3I567 W606 C607 V611 A612 T613 E645I567-N609 HydrophobicContact CB-CB 4.33Å; I567-N609 HydrophobicContact CG2-CB 3.76Å; W606-N609 CarbonylContact O-C 3.5Å; W606-N609 PolarHBondContact O-N 2.81Å; C607-N609 PolarHBondContact O-N 2.84Å; N609-V611 PolarHBondContact O-N 3.45Å; N609-V611 PolarHBondContact OD1-N 3.01Å; N609-V611 VanDerWaalsContact OD1-N 3.11Å; N609-A612 HydrophobicContact CB-CB 3.84Å; N609-A612 PolarHBondContact O-N 3.45Å; N609-A612 WeakPolarHBondContact OD1-CB 3.45Å; N609-A612 PolarHBondContact OD1-N 3.49Å; N609-T613 PolarHBondContact O-N 3.36Å; N609-T613 PolarHBondContact O-OG1 3.07Å; N609-E645 VanDerWaalsContact CG-OE2 3.32Å; N609-E645 VanDerWaalsContact ND2-CD 3.26Å; N609-E645 PolarHBondContact ND2-OE1 3.21Å; N609-E645 PolarHBondContact ND2-OE2 3.04Å; N609-E645 PolarHBondContact OD1-OE2 3.32Å; N609-E645 VanDerWaalsContact OD1-OE2 3.06Å
610P91.3Very high92Very high13 Ų137.8 Ų7.88%0.0844%0.039CC..Hα-helixtrans-63.6-41.8-173.824.6-33.3000113T613 V614 F633 L636 F642 F741P610-T613 WeakPolarHBondContact O-CB 3.3Å; P610-T613 PolarHBondContact O-N 2.84Å; P610-V614 PolarHBondContact O-N 3.29Å; P610-V614 VanDerWaalsContact O-N 3.13Å; P610-F633 HydrophobicContact CB-CD1 4.37Å; P610-F633 HydrophobicContact CB-CE1 3.6Å; P610-F633 HydrophobicContact CB-CZ 3.74Å; P610-F633 WeakPolarHBondContact O-CZ 3.46Å; P610-L636 HydrophobicContact CB-CD1 3.93Å; P610-L636 HydrophobicContact CG-CD1 4.2Å; P610-F642 HydrophobicContact CB-CE2 4.34Å; P610-F642 HydrophobicContact CG-CD2 3.94Å; P610-F642 HydrophobicContact CG-CE2 3.78Å; P610-F741 HydrophobicContact CB-CE2 4.07Å; P610-F741 HydrophobicContact CB-CZ 3.95Å
611V92.4Very high92Very high7 Ų79 Ų94%0.0424%0.042CC..Hα-helixtrans-67.6-40.4-178.7-174.30000111N609 T613 V614 S615 F633 F642 E645 V646 L649N609-V611 PolarHBondContact O-N 3.45Å; N609-V611 PolarHBondContact OD1-N 3.01Å; N609-V611 VanDerWaalsContact OD1-N 3.11Å; V611-T613 VanDerWaalsContact C-N 3.32Å; V611-T613 PolarHBondContact O-N 2.71Å; V611-V614 PolarHBondContact O-N 3.39Å; V611-S615 PolarHBondContact O-N 3.19Å; V611-F633 HydrophobicContact CG2-CE2 4.49Å; V611-F642 HydrophobicContact CG2-CD2 3.83Å; V611-F642 HydrophobicContact CG2-CE2 3.73Å; V611-E645 HydrophobicContact CB-CB 4Å; V611-E645 HydrophobicContact CG1-CB 4.06Å; V611-E645 HydrophobicContact CG2-CB 3.87Å; V611-V646 HydrophobicContact CG1-CG2 4.42Å; V611-V646 HydrophobicContact CG2-CG2 3.69Å; V611-L649 HydrophobicContact CG1-CB 3.95Å; V611-L649 HydrophobicContact CG1-CD2 3.8Å
612A93.6Very high92Very high2 Ų29.9 Ų9.92%0.0175%0.046CC..Hα-helixtrans-60.2-42.2173.800000111.5I567 N571 N609 V614 S615 L616I567-A612 HydrophobicContact CG2-CB 3.88Å; N571-A612 HydrophobicContact CB-CB 3.84Å; N609-A612 HydrophobicContact CB-CB 3.84Å; N609-A612 PolarHBondContact O-N 3.45Å; N609-A612 WeakPolarHBondContact OD1-CB 3.45Å; N609-A612 PolarHBondContact OD1-N 3.49Å; A612-V614 PolarHBondContact O-N 2.92Å; A612-S615 WeakPolarHBondContact CA-OG 3.49Å; A612-S615 PolarHBondContact O-N 3.32Å; A612-S615 PolarHBondContact O-OG 3.4Å; A612-L616 PolarHBondContact O-N 3.13Å
613T93.3Very high91.9Very high0 Ų010.5 Ų10.50%05%0.048CC..Hα-helixtrans-60.6-44.2177.5-51.80000111.8Y603 W606 C607 N609 P610 V611 L616 C617 L629 F741Y603-T613 HydrophobicContact CD2-CG2 3.94Å; Y603-T613 HydrophobicContact CE1-CG2 4.27Å; Y603-T613 HydrophobicContact CE2-CG2 3.43Å; Y603-T613 VanDerWaalsContact CE2-CG2 3.43Å; W606-T613 PolarHBondContact O-OG1 3.08Å; C607-T613 WeakPolarHBondContact CA-OG1 3.48Å; C607-T613 PolarHBondContact N-OG1 3.29Å; N609-T613 PolarHBondContact O-N 3.36Å; N609-T613 PolarHBondContact O-OG1 3.07Å; P610-T613 WeakPolarHBondContact O-CB 3.3Å; P610-T613 PolarHBondContact O-N 2.84Å; V611-T613 VanDerWaalsContact C-N 3.32Å; V611-T613 PolarHBondContact O-N 2.71Å; T613-L616 PolarHBondContact O-N 3.34Å; T613-C617 PolarHBondContact O-N 3.3Å; T613-C617 VanDerWaalsContact O-N 3.1Å; T613-C617 PolarHBondContact O-SG 3.09Å; T613-L629 HydrophobicContact CG2-CD1 3.81Å; T613-F741 HydrophobicContact CG2-CD2 4.34Å
614V92.6Very high91.7Very high0 Ų016 Ų160%07%0.072CC..Hα-helixtrans-64.4-42.2175.2169.90000111P610 V611 A612 L616 C617 F618 L629 I630 F633 L649P610-V614 PolarHBondContact O-N 3.29Å; P610-V614 VanDerWaalsContact O-N 3.13Å; V611-V614 PolarHBondContact O-N 3.39Å; A612-V614 PolarHBondContact O-N 2.92Å; V614-L616 VanDerWaalsContact C-N 3.3Å; V614-L616 PolarHBondContact O-N 3.01Å; V614-C617 WeakPolarHBondContact O-CB 3.22Å; V614-C617 PolarHBondContact O-N 3.5Å; V614-C617 VanDerWaalsContact O-N 3.13Å; V614-F618 HydrophobicContact CG1-CD2 4.12Å; V614-F618 HydrophobicContact CG1-CE1 4.48Å; V614-F618 HydrophobicContact CG1-CE2 3.68Å; V614-F618 HydrophobicContact CG1-CZ 3.88Å; V614-F618 PolarHBondContact O-N 3.4Å; V614-L629 HydrophobicContact CG2-CB 3.94Å; V614-L629 HydrophobicContact CG2-CD1 4.3Å; V614-I630 HydrophobicContact CG1-CD1 4.03Å; V614-I630 HydrophobicContact CG1-CG1 4.15Å; V614-I630 HydrophobicContact CG2-CG1 4.04Å; V614-F633 HydrophobicContact CB-CZ 4.29Å; V614-F633 HydrophobicContact CG2-CE1 3.91Å; V614-F633 HydrophobicContact CG2-CE2 4.06Å; V614-F633 HydrophobicContact CG2-CZ 3.34Å; V614-L649 HydrophobicContact CG1-CD2 4.2Å
615S93.3Very high91.5Very high1 Ų112.4 Ų12.41%0.0076%0.059CC..Hα-helixtrans-64.1-34.2177.675.40000113.1N571 V611 A612 F618 L619 L649N571-S615 VanDerWaalsContact CG-OG 3.27Å; N571-S615 PolarHBondContact ND2-OG 2.95Å; N571-S615 PolarHBondContact OD1-OG 3.2Å; V611-S615 PolarHBondContact O-N 3.19Å; A612-S615 WeakPolarHBondContact CA-OG 3.49Å; A612-S615 PolarHBondContact O-N 3.32Å; A612-S615 PolarHBondContact O-OG 3.4Å; S615-F618 PolarHBondContact O-N 3.08Å; S615-L619 PolarHBondContact O-N 3.24Å; S615-L649 VanDerWaalsContact CB-CD1 3.48Å
616L92.5Very high91.5Very high0 Ų012.4 Ų12.40%06%0.059CC..Hα-helixtrans-65.4-41.1172.6-177.964.5000110.8L574 F599 L602 W606 A612 T613 V614 F618 L619 T620L574-L616 HydrophobicContact CD2-CD1 4.24Å; F599-L616 HydrophobicContact CD2-CD2 4.32Å; F599-L616 HydrophobicContact CD2-CG 4.25Å; F599-L616 HydrophobicContact CE2-CD2 4.27Å; F599-L616 HydrophobicContact CE2-CG 4.1Å; L602-L616 HydrophobicContact CB-CD2 3.94Å; W606-L616 HydrophobicContact CB-CD2 4.31Å; W606-L616 HydrophobicContact CG-CD2 4.1Å; A612-L616 PolarHBondContact O-N 3.13Å; T613-L616 PolarHBondContact O-N 3.34Å; V614-L616 VanDerWaalsContact C-N 3.3Å; V614-L616 PolarHBondContact O-N 3.01Å; L616-F618 VanDerWaalsContact C-N 3.34Å; L616-F618 PolarHBondContact O-N 3.41Å; L616-L619 HydrophobicContact CD1-CD2 4.44Å; L616-L619 WeakPolarHBondContact O-CB 3.36Å; L616-L619 PolarHBondContact O-N 3.03Å; L616-L619 VanDerWaalsContact O-N 3.14Å; L616-T620 HydrophobicContact CD1-CG2 4.44Å; L616-T620 WeakPolarHBondContact O-CG2 3.28Å; L616-T620 PolarHBondContact O-N 3.12Å; L616-T620 PolarHBondContact O-OG1 3.26Å
617C91.8Very high91.3Very high0 Ų015 Ų150%07%0.069CC..Hα-helixtrans-66.1-35.4175.9-61.90000112.7T613 V614 L619 Q621 N622 A626T613-C617 PolarHBondContact O-N 3.3Å; T613-C617 VanDerWaalsContact O-N 3.1Å; T613-C617 PolarHBondContact O-SG 3.09Å; V614-C617 WeakPolarHBondContact O-CB 3.22Å; V614-C617 PolarHBondContact O-N 3.5Å; V614-C617 VanDerWaalsContact O-N 3.13Å; C617-L619 VanDerWaalsContact C-N 3.35Å; C617-Q621 PolarHBondContact O-N 3.09Å; C617-N622 PolarHBondContact O-N 3.13Å; C617-A626 HydrophobicContact CB-CB 3.76Å
618F91.5Very high91.1Very high0 Ų017.2 Ų17.20%08%0.081CC..Hα-helixtrans-66.8-37.1170.4-70.5-26.2000112.1V614 S615 L616 Q621 Y623 A626 I630 L649 I653 F658 Y660 L661 L674 A677 L678 L681V614-F618 HydrophobicContact CG1-CD2 4.12Å; V614-F618 HydrophobicContact CG1-CE1 4.48Å; V614-F618 HydrophobicContact CG1-CE2 3.68Å; V614-F618 HydrophobicContact CG1-CZ 3.88Å; V614-F618 PolarHBondContact O-N 3.4Å; S615-F618 PolarHBondContact O-N 3.08Å; L616-F618 VanDerWaalsContact C-N 3.34Å; L616-F618 PolarHBondContact O-N 3.41Å; F618-Q621 PolarHBondContact O-N 3.08Å; F618-Y623 AromaticContact CD1-CD1 4Å; F618-Y623 HydrophobicContact CD1-CD1 4Å; F618-Y623 HydrophobicContact CD1-CE1 4.2Å; F618-Y623 HydrophobicContact CE1-CD1 4.48Å; F618-A626 HydrophobicContact CD1-CB 3.93Å; F618-A626 HydrophobicContact CE1-CB 3.7Å; F618-I630 HydrophobicContact CZ-CD1 4.26Å; F618-L649 HydrophobicContact CD2-CD1 4.48Å; F618-L649 HydrophobicContact CD2-CD2 4.46Å; F618-L649 HydrophobicContact CE2-CD2 4.27Å; F618-I653 HydrophobicContact CD2-CD1 4.48Å; F618-I653 HydrophobicContact CE2-CD1 4.15Å; F618-F658 HydrophobicContact CB-CE1 3.82Å; F618-F658 HydrophobicContact CB-CZ 4.21Å; F618-Y660 PolarHBondContact O-OH 2.93Å; F618-L661 HydrophobicContact CB-CD1 3.91Å; F618-L661 HydrophobicContact CD1-CD1 4.24Å; F618-L661 HydrophobicContact CD2-CD1 4.47Å; F618-L661 HydrophobicContact CG-CD1 3.99Å; F618-L674 HydrophobicContact CE1-CD1 4.45Å; F618-A677 HydrophobicContact CE1-CB 3.91Å; F618-A677 HydrophobicContact CZ-CB 4.1Å; F618-L678 HydrophobicContact CE2-CD2 4.43Å; F618-L678 HydrophobicContact CZ-CD2 4.16Å; F618-L681 HydrophobicContact CE2-CD1 3.61Å; F618-L681 HydrophobicContact CZ-CD1 3.8Å
619L90.4Very high91.1Very high4 Ų416.7 Ų16.72%0.0218%0.079CC..Hα-helixtrans-60.7-45.4175.4-174.464.8000111.4L574 L575 R584 L587 S615 L616 C617 Q621 Y660L574-L619 HydrophobicContact CD2-CD2 3.91Å; L574-L619 HydrophobicContact CG-CD2 4.13Å; L575-L619 HydrophobicContact CD2-CB 4.44Å; L575-L619 HydrophobicContact CD2-CD1 4.17Å; L575-L619 HydrophobicContact CD2-CD2 4.22Å; R584-L619 HydrophobicContact CB-CD1 4.38Å; R584-L619 HydrophobicContact CG-CD1 4.17Å; R584-L619 HydrophobicContact CG-CD2 4.22Å; L587-L619 HydrophobicContact CD1-CD2 4.19Å; S615-L619 PolarHBondContact O-N 3.24Å; L616-L619 HydrophobicContact CD1-CD2 4.44Å; L616-L619 WeakPolarHBondContact O-CB 3.36Å; L616-L619 PolarHBondContact O-N 3.03Å; L616-L619 VanDerWaalsContact O-N 3.14Å; C617-L619 VanDerWaalsContact C-N 3.35Å; L619-Q621 VanDerWaalsContact C-N 3.31Å; L619-Q621 PolarHBondContact O-N 2.8Å; L619-Y660 WeakPolarHBondContact CA-OH 3.38Å; L619-Y660 PolarHBondContact O-OH 3.14Å
620T89.5Confident91Very high4 Ų417 Ų173%0.0258%0.08CC..THydrogen-bonded Turntrans-88.413-177.371.30000114.5L587 F599 L616 N622L587-T620 HydrophobicContact CB-CG2 4.13Å; L587-T620 WeakPolarHBondContact O-CA 3.33Å; L587-T620 WeakPolarHBondContact O-CB 3.26Å; L587-T620 WeakPolarHBondContact O-CG2 3.35Å; F599-T620 HydrophobicContact CD2-CG2 3.45Å; F599-T620 VanDerWaalsContact CD2-CG2 3.45Å; F599-T620 HydrophobicContact CE2-CG2 3.76Å; F599-T620 WeakPolarHBondContact CE2-OG1 3.4Å; F599-T620 HydrophobicContact CG-CG2 4.43Å; L616-T620 HydrophobicContact CD1-CG2 4.44Å; L616-T620 WeakPolarHBondContact O-CG2 3.28Å; L616-T620 PolarHBondContact O-N 3.12Å; L616-T620 PolarHBondContact O-OG1 3.26Å; T620-N622 PolarHBondContact O-N 2.67Å; T620-N622 VanDerWaalsContact O-N 3.12Å; T620-N622 PolarHBondContact OG1-ND2 2.98Å
621Q89Confident90.9Very high48 Ų4821.8 Ų21.822%0.22410%0.102CC..THydrogen-bonded Turntrans59.220.8179.6-56.6177.478.900115.4K588 D589 C617 F618 L619 Y623 Y660K588-Q621 HydrophobicContact CG-CG 4.3Å; K588-Q621 PolarHBondContact O-NE2 3.38Å; D589-Q621 PolarHBondContact OD1-NE2 2.82Å; C617-Q621 PolarHBondContact O-N 3.09Å; F618-Q621 PolarHBondContact O-N 3.08Å; L619-Q621 VanDerWaalsContact C-N 3.31Å; L619-Q621 PolarHBondContact O-N 2.8Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 HydrophobicContact CB-CE2 4.29Å; Q621-Y623 PolarHBondContact O-N 3.17Å; Q621-Y623 VanDerWaalsContact O-N 3.08Å; Q621-Y660 HydrophobicContact CG-CD2 4.25Å; Q621-Y660 HydrophobicContact CG-CE2 3.83Å
622N89Confident90.6Very high32 Ų3223.6 Ų23.617%0.17111%0.109CC..  trans-8963.3-179-72.7-37.5000111.6L590 C617 T620 K624 H625 A626 Y734L590-N622 WeakPolarHBondContact CD1-ND2 3.17Å; C617-N622 PolarHBondContact O-N 3.13Å; T620-N622 PolarHBondContact O-N 2.67Å; T620-N622 VanDerWaalsContact O-N 3.12Å; T620-N622 PolarHBondContact OG1-ND2 2.98Å; N622-K624 PolarHBondContact O-N 3.1Å; N622-H625 HydrophobicContact CB-CB 4.45Å; N622-H625 PolarHBondContact O-N 3.34Å; N622-A626 PolarHBondContact O-N 3.28Å; N622-Y734 HydrophobicContact CB-CE1 4.36Å; N622-Y734 VanDerWaalsContact CG-OH 3.27Å; N622-Y734 PolarHBondContact ND2-OH 3.08Å; N622-Y734 VanDerWaalsContact ND2-OH 3.09Å; N622-Y734 PolarHBondContact OD1-OH 3.34Å; N622-Y734 VanDerWaalsContact OD1-OH 3.07Å
623Y90.1Very high90.3Very high13 Ų1323.6 Ų23.65%0.05111%0.108CC..Hα-helixtrans-66.1-32.1-169.3-56.6-48.8000115.1F618 Q621 A626 Y627 L661 Q664 L674F618-Y623 AromaticContact CD1-CD1 4Å; F618-Y623 HydrophobicContact CD1-CD1 4Å; F618-Y623 HydrophobicContact CD1-CE1 4.2Å; F618-Y623 HydrophobicContact CE1-CD1 4.48Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 HydrophobicContact CB-CE2 4.29Å; Q621-Y623 PolarHBondContact O-N 3.17Å; Q621-Y623 VanDerWaalsContact O-N 3.08Å; Y623-A626 PolarHBondContact O-N 3.01Å; Y623-Y627 PolarHBondContact O-N 2.9Å; Y623-L661 HydrophobicContact CE1-CD1 4.17Å; Y623-L661 HydrophobicContact CE1-CG 4.37Å; Y623-Q664 VanDerWaalsContact CE2-OE1 3.31Å; Y623-Q664 VanDerWaalsContact CZ-OE1 3.29Å; Y623-Q664 PolarHBondContact OH-OE1 3.25Å; Y623-L674 HydrophobicContact CD1-CB 4.13Å; Y623-L674 HydrophobicContact CD1-CD1 3.67Å; Y623-L674 HydrophobicContact CD1-CG 4.35Å; Y623-L674 HydrophobicContact CD2-CB 3.93Å; Y623-L674 HydrophobicContact CD2-CD2 4.49Å; Y623-L674 HydrophobicContact CE1-CD1 3.71Å; Y623-L674 HydrophobicContact CE1-CD2 4.4Å; Y623-L674 HydrophobicContact CE1-CG 4.45Å; Y623-L674 HydrophobicContact CE2-CB 4.41Å; Y623-L674 HydrophobicContact CE2-CD2 4.15Å; Y623-L674 HydrophobicContact CG-CB 3.77Å; Y623-L674 HydrophobicContact CG-CD1 4.21Å; Y623-L674 HydrophobicContact CG-CG 4.44Å
624K87.9Confident89.5Confident115 Ų11526.4 Ų26.450%0.514%0.137SC..Hα-helixtrans-62.8-49.2175.3-178.1174.1177.5173.40111N622 A626 Y627 D628 Y673N622-K624 PolarHBondContact O-N 3.1Å; K624-A626 VanDerWaalsContact C-N 3.34Å; K624-A626 PolarHBondContact O-N 3.36Å; K624-Y627 WeakPolarHBondContact O-CB 3.23Å; K624-Y627 PolarHBondContact O-N 2.92Å; K624-D628 VanDerWaalsContact O-CG 3.31Å; K624-D628 PolarHBondContact O-N 3.14Å; K624-Y673 HydrophobicContact CB-CD1 4.35Å; K624-Y673 HydrophobicContact CB-CD2 4Å; K624-Y673 HydrophobicContact CB-CE2 4.4Å; K624-Y673 HydrophobicContact CB-CG 3.97Å; K624-Y673 HydrophobicContact CD-CE1 4.47Å; K624-Y673 HydrophobicContact CD-CE2 4.1Å; K624-Y673 HydrophobicContact CG-CD1 4.13Å; K624-Y673 HydrophobicContact CG-CD2 4.27Å; K624-Y673 HydrophobicContact CG-CE1 4.09Å; K624-Y673 HydrophobicContact CG-CE2 4.23Å; K624-Y673 HydrophobicContact CG-CG 4.22Å
625H90.2Very high88.8Confident8 Ų833.2 Ų33.24%0.03717%0.174CC..Hα-helixtrans-65.2-37.6178.1-165.858.1000112.3Y603 N622 Y627 D628 L629 Y734Y603-H625 AromaticContact CE2-CD2 3.62Å; Y603-H625 AromaticContact CE2-NE2 3.3Å; Y603-H625 VanDerWaalsContact CE2-NE2 3.3Å; Y603-H625 WeakPolarHBondContact CE2-NE2 3.01Å; Y603-H625 AromaticContact CZ-NE2 3.25Å; Y603-H625 PolarHBondContact OH-NE2 3.48Å; N622-H625 HydrophobicContact CB-CB 4.45Å; N622-H625 PolarHBondContact O-N 3.34Å; H625-Y627 VanDerWaalsContact C-N 3.32Å; H625-Y627 PolarHBondContact O-N 3.36Å; H625-D628 PolarHBondContact O-N 2.65Å; H625-L629 WeakPolarHBondContact O-CG 3.48Å; H625-L629 PolarHBondContact O-N 3.01Å; H625-Y734 HydrophobicContact CB-CD1 3.94Å; H625-Y734 HydrophobicContact CB-CE1 4.41Å; H625-Y734 AromaticContact CD2-CD1 3.76Å; H625-Y734 PolarHBondContact CE1-O 3.18Å; H625-Y734 VanDerWaalsContact CE1-O 3.22Å; H625-Y734 AromaticContact CG-CD1 3.63Å; H625-Y734 AromaticContact ND1-CD1 3.92Å
626A91.4Very high88.3Confident0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-59.5-42.3172.900000112.1C617 F618 N622 Y623 K624 L629 I630C617-A626 HydrophobicContact CB-CB 3.76Å; F618-A626 HydrophobicContact CD1-CB 3.93Å; F618-A626 HydrophobicContact CE1-CB 3.7Å; N622-A626 PolarHBondContact O-N 3.28Å; Y623-A626 PolarHBondContact O-N 3.01Å; K624-A626 VanDerWaalsContact C-N 3.34Å; K624-A626 PolarHBondContact O-N 3.36Å; A626-L629 PolarHBondContact O-N 3.06Å; A626-I630 WeakPolarHBondContact O-CD1 3.47Å; A626-I630 VanDerWaalsContact O-CG1 3.25Å; A626-I630 WeakPolarHBondContact O-CG1 3.42Å; A626-I630 PolarHBondContact O-N 3.25Å
627Y90.9Very high87.6Confident54 Ų5439.2 Ų39.221%0.21220%0.203CC..Hα-helixtrans-63.9-46.2175.4176.4-110.4000112.2Y623 K624 H625 L629 I630 Q631 Y673 K676Y623-Y627 PolarHBondContact O-N 2.9Å; K624-Y627 WeakPolarHBondContact O-CB 3.23Å; K624-Y627 PolarHBondContact O-N 2.92Å; H625-Y627 VanDerWaalsContact C-N 3.32Å; H625-Y627 PolarHBondContact O-N 3.36Å; Y627-L629 PolarHBondContact O-N 2.77Å; Y627-I630 PolarHBondContact O-N 2.93Å; Y627-I630 VanDerWaalsContact O-N 3.11Å; Y627-Q631 HydrophobicContact CD1-CG 4.47Å; Y627-Q631 HydrophobicContact CE1-CG 4.05Å; Y627-Q631 HydrophobicContact CE2-CG 4.12Å; Y627-Q631 PolarHBondContact O-N 2.66Å; Y627-Q631 PolarHBondContact OH-NE2 3.49Å; Y627-Y673 HydrophobicContact CD1-CD1 4.14Å; Y627-K676 HydrophobicContact CD2-CB 3.64Å; Y627-K676 HydrophobicContact CE2-CB 3.63Å; Y627-K676 HydrophobicContact CG-CB 4.22Å
628D89.8Confident87.1Confident47 Ų4743.4 Ų43.425%0.25123%0.228SC..Hα-helixtrans-59.8-36.4178.7-62.7-23.5000111.2K624 H625 L738K624-D628 VanDerWaalsContact O-CG 3.31Å; K624-D628 PolarHBondContact O-N 3.14Å; H625-D628 PolarHBondContact O-N 2.65Å; D628-L738 HydrophobicContact CB-CD2 4.49Å
629L90.3Very high86.7Confident0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-66.6-44.9172.1-76.8168.5000113.2Y603 T613 V614 H625 A626 Y627 Q631 K632 F633 L738 F741Y603-L629 HydrophobicContact CE2-CD1 4.14Å; Y603-L629 WeakPolarHBondContact OH-CD2 3.47Å; T613-L629 HydrophobicContact CG2-CD1 3.81Å; V614-L629 HydrophobicContact CG2-CB 3.94Å; V614-L629 HydrophobicContact CG2-CD1 4.3Å; H625-L629 WeakPolarHBondContact O-CG 3.48Å; H625-L629 PolarHBondContact O-N 3.01Å; A626-L629 PolarHBondContact O-N 3.06Å; Y627-L629 PolarHBondContact O-N 2.77Å; L629-Q631 VanDerWaalsContact C-N 3.28Å; L629-Q631 PolarHBondContact O-N 3.32Å; L629-K632 WeakPolarHBondContact O-CA 3.45Å; L629-K632 WeakPolarHBondContact O-CB 3.24Å; L629-K632 PolarHBondContact O-N 2.93Å; L629-F633 WeakPolarHBondContact O-CD1 3.5Å; L629-F633 PolarHBondContact O-N 3.43Å; L629-L738 HydrophobicContact CD2-CD1 3.75Å; L629-L738 HydrophobicContact CG-CD1 4.14Å; L629-F741 HydrophobicContact CD2-CB 4.19Å; L629-F741 HydrophobicContact CD2-CD1 3.69Å; L629-F741 HydrophobicContact CD2-CD2 3.7Å; L629-F741 HydrophobicContact CD2-CE1 3.91Å; L629-F741 HydrophobicContact CD2-CE2 3.93Å; L629-F741 HydrophobicContact CD2-CG 3.57Å; L629-F741 HydrophobicContact CD2-CZ 4.03Å
630I90.4Very high86.4Confident9 Ų949.7 Ų49.75%0.04627%0.267CS..Hα-helixtrans-63.6-35.7180-69.4158.8000111V614 F618 A626 Y627 K632 F633 A677 L681 L684V614-I630 HydrophobicContact CG1-CD1 4.03Å; V614-I630 HydrophobicContact CG1-CG1 4.15Å; V614-I630 HydrophobicContact CG2-CG1 4.04Å; F618-I630 HydrophobicContact CZ-CD1 4.26Å; A626-I630 WeakPolarHBondContact O-CD1 3.47Å; A626-I630 VanDerWaalsContact O-CG1 3.25Å; A626-I630 WeakPolarHBondContact O-CG1 3.42Å; A626-I630 PolarHBondContact O-N 3.25Å; Y627-I630 PolarHBondContact O-N 2.93Å; Y627-I630 VanDerWaalsContact O-N 3.11Å; I630-K632 PolarHBondContact O-N 2.89Å; I630-F633 WeakPolarHBondContact O-CB 3.33Å; I630-F633 PolarHBondContact O-N 3.07Å; I630-A677 HydrophobicContact CD1-CB 3.65Å; I630-A677 WeakPolarHBondContact CD1-O 3.38Å; I630-L681 HydrophobicContact CD1-CD1 4.28Å; I630-L681 HydrophobicContact CD1-CD2 4.06Å; I630-L681 HydrophobicContact CD1-CG 3.81Å; I630-L681 HydrophobicContact CG1-CD2 4.04Å; I630-L681 HydrophobicContact CG1-CG 4.32Å; I630-L684 HydrophobicContact CG2-CD1 4.16Å
631Q88.5Confident86.1Confident114 Ų11454.4 Ų54.453%0.53329%0.292SS..Hα-helixtrans-59.1-31.8172.9-71.5-168.7-32.600112.4Y627 L629Y627-Q631 HydrophobicContact CD1-CG 4.47Å; Y627-Q631 HydrophobicContact CE1-CG 4.05Å; Y627-Q631 HydrophobicContact CE2-CG 4.12Å; Y627-Q631 PolarHBondContact O-N 2.66Å; Y627-Q631 PolarHBondContact OH-NE2 3.49Å; L629-Q631 VanDerWaalsContact C-N 3.28Å; L629-Q631 PolarHBondContact O-N 3.32Å
632K87.4Confident86Confident45 Ų4552.9 Ų52.920%0.19628%0.284CS..Hα-helixtrans-78.3-18.7177-63.1-170.5173.3-162.50113.8L629 I630 G634 N635 L738 F741 D742L629-K632 WeakPolarHBondContact O-CA 3.45Å; L629-K632 WeakPolarHBondContact O-CB 3.24Å; L629-K632 PolarHBondContact O-N 2.93Å; I630-K632 PolarHBondContact O-N 2.89Å; K632-G634 PolarHBondContact O-N 3.47Å; K632-N635 PolarHBondContact O-N 3.36Å; K632-L738 HydrophobicContact CD-CD1 4.06Å; K632-L738 HydrophobicContact CD-CG 4.42Å; K632-F741 HydrophobicContact CB-CE1 4.39Å; K632-F741 HydrophobicContact CD-CD1 4.39Å; K632-D742 WeakPolarHBondContact CD-OD1 3.42Å; K632-D742 IonicContact NZ-OD1 2.89Å; K632-D742 PolarHBondContact NZ-OD1 3.24Å; K632-D742 IonicContact NZ-OD2 3.62Å; K632-D742 PolarHBondContact NZ-OD2 3.47Å
633F86.3Confident85.9Confident1 Ų153.5 Ų53.50%0.00429%0.287CS..Hα-helixtrans-61.5-27.3177.7-74.813.8000112.3P610 V611 V614 L629 I630 N635 L636 F642 L684 F741P610-F633 HydrophobicContact CB-CD1 4.37Å; P610-F633 HydrophobicContact CB-CE1 3.6Å; P610-F633 HydrophobicContact CB-CZ 3.74Å; P610-F633 WeakPolarHBondContact O-CZ 3.46Å; V611-F633 HydrophobicContact CG2-CE2 4.49Å; V614-F633 HydrophobicContact CB-CZ 4.29Å; V614-F633 HydrophobicContact CG2-CE1 3.91Å; V614-F633 HydrophobicContact CG2-CE2 4.06Å; V614-F633 HydrophobicContact CG2-CZ 3.34Å; L629-F633 WeakPolarHBondContact O-CD1 3.5Å; L629-F633 PolarHBondContact O-N 3.43Å; I630-F633 WeakPolarHBondContact O-CB 3.33Å; I630-F633 PolarHBondContact O-N 3.07Å; F633-N635 PolarHBondContact O-N 2.82Å; F633-L636 HydrophobicContact CD1-CD1 3.83Å; F633-L636 HydrophobicContact CE1-CD1 4.38Å; F633-L636 HydrophobicContact CG-CD1 4.37Å; F633-L636 WeakPolarHBondContact O-CB 3.43Å; F633-L636 PolarHBondContact O-N 3.5Å; F633-F642 HydrophobicContact CB-CZ 4.3Å; F633-F642 HydrophobicContact CD2-CE2 4.03Å; F633-F642 AromaticContact CD2-CZ 3.51Å; F633-F642 HydrophobicContact CD2-CZ 3.51Å; F633-F642 HydrophobicContact CE2-CE2 4.05Å; F633-F642 AromaticContact CE2-CZ 3.93Å; F633-F642 HydrophobicContact CE2-CZ 3.93Å; F633-F642 HydrophobicContact CG-CE2 4.5Å; F633-F642 HydrophobicContact CG-CZ 4.03Å; F633-L684 HydrophobicContact CB-CD1 3.77Å; F633-L684 HydrophobicContact CB-CD2 4.4Å; F633-L684 HydrophobicContact CD2-CD1 3.66Å; F633-L684 HydrophobicContact CG-CD1 4.2Å; F633-F741 HydrophobicContact CE1-CZ 4.08Å
634G76.1Confident85.8Confident59 Ų5957.3 Ų57.361%0.60831%0.307SS*.THydrogen-bonded Turntrans-62.4-20.6174.300000114.3K632K632-G634 PolarHBondContact O-N 3.47Å
635N78.8Confident85.8Confident143 Ų14352.9 Ų52.977%0.76529%0.288SS*.THydrogen-bonded Turntrans-94.3-2.8176.3-61.2-28.4000112.7K632 F633K632-N635 PolarHBondContact O-N 3.36Å; F633-N635 PolarHBondContact O-N 2.82Å
636L81.8Confident85.8Confident35 Ų3552.6 Ų52.618%0.18329%0.286CS..SBendtrans-91.4150.7178.2-58177.9000110.6P610 F633 V638 F741 Q745P610-L636 HydrophobicContact CB-CD1 3.93Å; P610-L636 HydrophobicContact CG-CD1 4.2Å; F633-L636 HydrophobicContact CD1-CD1 3.83Å; F633-L636 HydrophobicContact CE1-CD1 4.38Å; F633-L636 HydrophobicContact CG-CD1 4.37Å; F633-L636 WeakPolarHBondContact O-CB 3.43Å; F633-L636 PolarHBondContact O-N 3.5Å; L636-V638 PolarHBondContact O-N 3.43Å; L636-F741 HydrophobicContact CD1-CZ 4.38Å; L636-Q745 HydrophobicContact CD2-CB 3.92Å; L636-Q745 HydrophobicContact CD2-CG 4.13Å
637E78.4Confident85.8Confident93 Ų9354.2 Ų54.244%0.43530%0.295SS..  trans-67.9118.8173.9-169.7-168.2149.300110.1T639 R752E637-T639 HydrophobicContact CG-CG2 4.4Å; E637-T639 PolarHBondContact O-N 3.27Å; E637-T639 VanDerWaalsContact O-N 3.17Å; E637-R752 IonicContact OE1-CZ 3.63Å; E637-R752 IonicContact OE1-NE 3.09Å; E637-R752 PolarHBondContact OE1-NE 3.38Å; E637-R752 IonicContact OE1-NH2 2.82Å; E637-R752 PolarHBondContact OE1-NH2 2.88Å; E637-R752 WeakPolarHBondContact OE2-CD 3.37Å; E637-R752 IonicContact OE2-CZ 2.73Å; E637-R752 IonicContact OE2-NE 2.88Å; E637-R752 PolarHBondContact OE2-NE 3.05Å; E637-R752 IonicContact OE2-NH2 3.66Å
638V80.6Confident85.7Confident87 Ų8757 Ų5753%0.52731%0.308SS..  trans-77.6103.3179.3-177.20000109.7L636 F642 L643L636-V638 PolarHBondContact O-N 3.43Å; V638-F642 HydrophobicContact CG1-CD1 4.38Å; V638-L643 HydrophobicContact CG1-CD1 3.88Å; V638-L643 HydrophobicContact CG1-CD2 3.74Å; V638-L643 HydrophobicContact CG1-CG 3.71Å
639T84.4Confident85.8Confident29 Ų2954.9 Ų54.918%0.17830%0.297CS..  trans-100.7161176.767.30000111.7E637 D641 F642 L643 R752E637-T639 HydrophobicContact CG-CG2 4.4Å; E637-T639 PolarHBondContact O-N 3.27Å; E637-T639 VanDerWaalsContact O-N 3.17Å; T639-D641 VanDerWaalsContact C-N 3.31Å; T639-D641 PolarHBondContact O-N 3.1Å; T639-F642 WeakPolarHBondContact O-CB 3.17Å; T639-F642 PolarHBondContact O-N 3.23Å; T639-F642 VanDerWaalsContact OG1-CB 3.28Å; T639-F642 WeakPolarHBondContact OG1-CB 3.26Å; T639-F642 PolarHBondContact OG1-N 3.36Å; T639-L643 PolarHBondContact O-N 3.44Å; T639-R752 VanDerWaalsContact CG2-NH2 3.27Å
640V83.4Confident85.9Confident108 Ų10855 Ų5566%0.65530%0.298SS*.Hα-helixtrans-60.4-42.9175.8-178.60000110.9F642 L643 M644V640-F642 VanDerWaalsContact C-N 3.33Å; V640-F642 PolarHBondContact O-N 2.96Å; V640-L643 PolarHBondContact O-N 3.07Å; V640-M644 HydrophobicContact CG1-CE 4.22Å; V640-M644 HydrophobicContact CG1-CG 4.42Å; V640-M644 HydrophobicContact CG1-SD 4.47Å; V640-M644 WeakPolarHBondContact O-CG 3.5Å; V640-M644 PolarHBondContact O-N 3.12Å
641D83.4Confident86Confident103 Ų10359.4 Ų59.455%0.55132%0.318SS*.Hα-helixtrans-60.2-43177.3-62.7-33.6000111.7T639 M644 E645T639-D641 VanDerWaalsContact C-N 3.31Å; T639-D641 PolarHBondContact O-N 3.1Å; D641-M644 HydrophobicContact CB-CE 4.45Å; D641-M644 PolarHBondContact O-N 3.34Å; D641-M644 WeakPolarHBondContact OD1-CE 3.05Å; D641-E645 WeakPolarHBondContact O-CG 3.38Å; D641-E645 PolarHBondContact O-N 2.69Å
642F86.7Confident86.1Confident16 Ų1655.6 Ų55.67%0.0730%0.301CS..Hα-helixtrans-60.7-46.3174.7174.6-96.2000112.1P610 V611 F633 V638 T639 V640 M644 E645 V646P610-F642 HydrophobicContact CB-CE2 4.34Å; P610-F642 HydrophobicContact CG-CD2 3.94Å; P610-F642 HydrophobicContact CG-CE2 3.78Å; V611-F642 HydrophobicContact CG2-CD2 3.83Å; V611-F642 HydrophobicContact CG2-CE2 3.73Å; F633-F642 HydrophobicContact CB-CZ 4.3Å; F633-F642 HydrophobicContact CD2-CE2 4.03Å; F633-F642 AromaticContact CD2-CZ 3.51Å; F633-F642 HydrophobicContact CD2-CZ 3.51Å; F633-F642 HydrophobicContact CE2-CE2 4.05Å; F633-F642 AromaticContact CE2-CZ 3.93Å; F633-F642 HydrophobicContact CE2-CZ 3.93Å; F633-F642 HydrophobicContact CG-CE2 4.5Å; F633-F642 HydrophobicContact CG-CZ 4.03Å; V638-F642 HydrophobicContact CG1-CD1 4.38Å; T639-F642 WeakPolarHBondContact O-CB 3.17Å; T639-F642 PolarHBondContact O-N 3.23Å; T639-F642 VanDerWaalsContact OG1-CB 3.28Å; T639-F642 WeakPolarHBondContact OG1-CB 3.26Å; T639-F642 PolarHBondContact OG1-N 3.36Å; V640-F642 VanDerWaalsContact C-N 3.33Å; V640-F642 PolarHBondContact O-N 2.96Å; F642-M644 PolarHBondContact O-N 3.29Å; F642-E645 PolarHBondContact O-N 2.91Å; F642-V646 HydrophobicContact CD1-CG2 4.42Å; F642-V646 HydrophobicContact CE1-CG2 4.07Å; F642-V646 HydrophobicContact CE2-CG2 4.49Å; F642-V646 HydrophobicContact CZ-CG2 4.11Å; F642-V646 WeakPolarHBondContact O-CG2 3.11Å; F642-V646 PolarHBondContact O-N 3.28Å
643L87.9Confident86.2Confident44 Ų4453.4 Ų53.423%0.2329%0.292CS..Hα-helixtrans-64.4-39.4177.8-70.4177.5000112.4V638 T639 V640 E645 V646 D647V638-L643 HydrophobicContact CG1-CD1 3.88Å; V638-L643 HydrophobicContact CG1-CD2 3.74Å; V638-L643 HydrophobicContact CG1-CG 3.71Å; T639-L643 PolarHBondContact O-N 3.44Å; V640-L643 PolarHBondContact O-N 3.07Å; L643-E645 VanDerWaalsContact C-N 3.28Å; L643-E645 PolarHBondContact O-N 3Å; L643-V646 PolarHBondContact O-N 3.39Å; L643-D647 WeakPolarHBondContact O-CB 3.16Å; L643-D647 PolarHBondContact O-N 3.02Å
644M87.2Confident86.4Confident93 Ų9355.6 Ų55.646%0.45830%0.302SS..Hα-helixtrans-62.4-36.3174.6-72.6-169.6-63.900111.9V640 D641 F642 K648V640-M644 HydrophobicContact CG1-CE 4.22Å; V640-M644 HydrophobicContact CG1-CG 4.42Å; V640-M644 HydrophobicContact CG1-SD 4.47Å; V640-M644 WeakPolarHBondContact O-CG 3.5Å; V640-M644 PolarHBondContact O-N 3.12Å; D641-M644 HydrophobicContact CB-CE 4.45Å; D641-M644 PolarHBondContact O-N 3.34Å; D641-M644 WeakPolarHBondContact OD1-CE 3.05Å; F642-M644 PolarHBondContact O-N 3.29Å; M644-K648 WeakPolarHBondContact O-CG 3.49Å; M644-K648 PolarHBondContact O-N 3.26Å
645E88.4Confident87Confident23 Ų2353.8 Ų53.811%0.10728%0.28CS..Hα-helixtrans-69.8-41.7175.4-74.2-177.7-17600112.8Q568 N609 V611 D641 F642 L643 D647 K648 L649Q568-E645 WeakPolarHBondContact CG-OE1 3.49Å; Q568-E645 PolarHBondContact NE2-OE1 3.29Å; N609-E645 VanDerWaalsContact CG-OE2 3.32Å; N609-E645 VanDerWaalsContact ND2-CD 3.26Å; N609-E645 PolarHBondContact ND2-OE1 3.21Å; N609-E645 PolarHBondContact ND2-OE2 3.04Å; N609-E645 PolarHBondContact OD1-OE2 3.32Å; N609-E645 VanDerWaalsContact OD1-OE2 3.06Å; V611-E645 HydrophobicContact CB-CB 4Å; V611-E645 HydrophobicContact CG1-CB 4.06Å; V611-E645 HydrophobicContact CG2-CB 3.87Å; D641-E645 WeakPolarHBondContact O-CG 3.38Å; D641-E645 PolarHBondContact O-N 2.69Å; F642-E645 PolarHBondContact O-N 2.91Å; L643-E645 VanDerWaalsContact C-N 3.28Å; L643-E645 PolarHBondContact O-N 3Å; E645-D647 VanDerWaalsContact C-N 3.3Å; E645-D647 PolarHBondContact O-N 3.34Å; E645-K648 PolarHBondContact O-N 2.86Å; E645-L649 PolarHBondContact O-N 3.4Å
646V90.3Very high87.3Confident1 Ų152.3 Ų52.31%0.00628%0.278CS..Hα-helixtrans-61.6-42.3174.2179.70000110.3V611 F642 L643 L649 V650 L681 L685V611-V646 HydrophobicContact CG1-CG2 4.42Å; V611-V646 HydrophobicContact CG2-CG2 3.69Å; F642-V646 HydrophobicContact CD1-CG2 4.42Å; F642-V646 HydrophobicContact CE1-CG2 4.07Å; F642-V646 HydrophobicContact CE2-CG2 4.49Å; F642-V646 HydrophobicContact CZ-CG2 4.11Å; F642-V646 WeakPolarHBondContact O-CG2 3.11Å; F642-V646 PolarHBondContact O-N 3.28Å; L643-V646 PolarHBondContact O-N 3.39Å; V646-L649 PolarHBondContact O-N 3.24Å; V646-V650 WeakPolarHBondContact O-CG2 3.28Å; V646-V650 PolarHBondContact O-N 2.83Å; V646-L681 HydrophobicContact CG1-CD2 4.25Å; V646-L685 HydrophobicContact CB-CD2 4.11Å; V646-L685 HydrophobicContact CG1-CD1 4.25Å; V646-L685 HydrophobicContact CG1-CD2 3.7Å; V646-L685 HydrophobicContact CG1-CG 3.84Å
647D89.9Confident87.5Confident35 Ų3552.3 Ų52.319%0.18728%0.278CS..Hα-helixtrans-58.1-48.6174.9-169.495.9000111.3L643 E645 L649 V650 Q651 S688 A690L643-D647 WeakPolarHBondContact O-CB 3.16Å; L643-D647 PolarHBondContact O-N 3.02Å; E645-D647 VanDerWaalsContact C-N 3.3Å; E645-D647 PolarHBondContact O-N 3.34Å; D647-L649 PolarHBondContact O-N 3.31Å; D647-V650 PolarHBondContact O-N 2.8Å; D647-Q651 WeakPolarHBondContact O-CG 3.11Å; D647-Q651 PolarHBondContact O-N 3.23Å; D647-Q651 PolarHBondContact OD2-NE2 3.21Å; D647-S688 PolarHBondContact OD1-OG 2.68Å; D647-A690 HydrophobicContact CB-CB 4.13Å; D647-A690 VanDerWaalsContact CG-CB 3.48Å; D647-A690 WeakPolarHBondContact OD1-CB 3.33Å
648K90.2Very high88Confident111 Ų11147.9 Ų47.948%0.48326%0.258SS..Hα-helixtrans-59-42.2174.3-74.3173.9-176.4177.80112.7M644 E645 V650 Q651 L652M644-K648 WeakPolarHBondContact O-CG 3.49Å; M644-K648 PolarHBondContact O-N 3.26Å; E645-K648 PolarHBondContact O-N 2.86Å; K648-V650 VanDerWaalsContact C-N 3.33Å; K648-V650 PolarHBondContact O-N 2.8Å; K648-Q651 PolarHBondContact O-N 3.24Å; K648-L652 WeakPolarHBondContact O-CG 3.45Å; K648-L652 PolarHBondContact O-N 3.44Å
649L92.3Very high88.4Confident4 Ų446.5 Ų46.52%0.02125%0.249CC..Hα-helixtrans-61.3-42.4176.9176.756.5000111.3V611 V614 S615 F618 E645 V646 D647 L652 I653 F658 L681V611-L649 HydrophobicContact CG1-CB 3.95Å; V611-L649 HydrophobicContact CG1-CD2 3.8Å; V614-L649 HydrophobicContact CG1-CD2 4.2Å; S615-L649 VanDerWaalsContact CB-CD1 3.48Å; F618-L649 HydrophobicContact CD2-CD1 4.48Å; F618-L649 HydrophobicContact CD2-CD2 4.46Å; F618-L649 HydrophobicContact CE2-CD2 4.27Å; E645-L649 PolarHBondContact O-N 3.4Å; V646-L649 PolarHBondContact O-N 3.24Å; D647-L649 PolarHBondContact O-N 3.31Å; L649-L652 WeakPolarHBondContact O-CB 3.37Å; L649-L652 PolarHBondContact O-N 3.23Å; L649-L652 VanDerWaalsContact O-N 3.16Å; L649-I653 HydrophobicContact CG-CD1 4.44Å; L649-I653 WeakPolarHBondContact O-CG1 3.42Å; L649-I653 PolarHBondContact O-N 3.42Å; L649-F658 HydrophobicContact CD1-CE2 4.46Å; L649-L681 HydrophobicContact CD2-CD1 4.33Å
650V92.4Very high88.5Confident1 Ų146.5 Ų46.51%0.00625%0.246CC..Hα-helixtrans-62.7-42.6175.81700000111.8V646 D647 K648 L652 I653 E654 L685 A690 L694V646-V650 WeakPolarHBondContact O-CG2 3.28Å; V646-V650 PolarHBondContact O-N 2.83Å; D647-V650 PolarHBondContact O-N 2.8Å; K648-V650 VanDerWaalsContact C-N 3.33Å; K648-V650 PolarHBondContact O-N 2.8Å; V650-L652 VanDerWaalsContact C-N 3.28Å; V650-L652 PolarHBondContact O-N 3.44Å; V650-I653 WeakPolarHBondContact O-CB 3.19Å; V650-I653 PolarHBondContact O-N 3.1Å; V650-E654 PolarHBondContact O-N 2.93Å; V650-L685 HydrophobicContact CG2-CD1 3.84Å; V650-A690 HydrophobicContact CB-CB 3.94Å; V650-A690 HydrophobicContact CG1-CB 3.85Å; V650-A690 WeakPolarHBondContact CG1-O 3.45Å; V650-L694 HydrophobicContact CG1-CB 3.8Å; V650-L694 HydrophobicContact CG2-CD2 3.93Å
651Q91.1Very high88.7Confident103 Ų10341.4 Ų41.448%0.48122%0.215SC..Hα-helixtrans-60.4-40.2173.4-64.2178.725.500111.5D647 K648 I653 E654 S655D647-Q651 WeakPolarHBondContact O-CG 3.11Å; D647-Q651 PolarHBondContact O-N 3.23Å; D647-Q651 PolarHBondContact OD2-NE2 3.21Å; K648-Q651 PolarHBondContact O-N 3.24Å; Q651-I653 PolarHBondContact O-N 2.66Å; Q651-E654 PolarHBondContact O-N 3.21Å; Q651-S655 PolarHBondContact O-N 3.21Å
652L90.7Very high89Confident33 Ų3339.2 Ų39.217%0.17320%0.199CC..Hα-helixtrans-65.1-35.6176-72.6173.7000112.4L575 T576 K648 L649 V650 E654 S655 I657 F658L575-L652 HydrophobicContact CB-CD1 4.48Å; L575-L652 HydrophobicContact CD1-CD1 3.85Å; T576-L652 HydrophobicContact CG2-CD2 3.85Å; K648-L652 WeakPolarHBondContact O-CG 3.45Å; K648-L652 PolarHBondContact O-N 3.44Å; L649-L652 WeakPolarHBondContact O-CB 3.37Å; L649-L652 PolarHBondContact O-N 3.23Å; L649-L652 VanDerWaalsContact O-N 3.16Å; V650-L652 VanDerWaalsContact C-N 3.28Å; V650-L652 PolarHBondContact O-N 3.44Å; L652-E654 PolarHBondContact O-N 2.86Å; L652-S655 WeakPolarHBondContact O-CA 3.21Å; L652-S655 WeakPolarHBondContact O-CB 3.31Å; L652-S655 PolarHBondContact O-N 3.08Å; L652-S655 PolarHBondContact O-OG 3.27Å; L652-I657 HydrophobicContact CD2-CD1 4.16Å; L652-F658 HydrophobicContact CB-CD2 4.34Å; L652-F658 HydrophobicContact CB-CE2 4.23Å; L652-F658 WeakPolarHBondContact O-CD2 3.45Å
653I90.7Very high89Confident0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-57.5-32.3175.2-71.3165.2000111.1F618 L649 V650 Q651 S655 F658 L661 R662 L678F618-I653 HydrophobicContact CD2-CD1 4.48Å; F618-I653 HydrophobicContact CE2-CD1 4.15Å; L649-I653 HydrophobicContact CG-CD1 4.44Å; L649-I653 WeakPolarHBondContact O-CG1 3.42Å; L649-I653 PolarHBondContact O-N 3.42Å; V650-I653 WeakPolarHBondContact O-CB 3.19Å; V650-I653 PolarHBondContact O-N 3.1Å; Q651-I653 PolarHBondContact O-N 2.66Å; I653-S655 VanDerWaalsContact C-N 3.34Å; I653-F658 HydrophobicContact CG1-CD2 4.34Å; I653-L661 HydrophobicContact CG2-CD2 4.17Å; I653-R662 VanDerWaalsContact O-CD 3.29Å; I653-R662 WeakPolarHBondContact O-CD 3.45Å; I653-R662 PolarHBondContact O-NE 3.01Å; I653-L678 HydrophobicContact CD1-CD2 3.71Å
654E89.4Confident88.9Confident46 Ų4643.6 Ų43.622%0.21522%0.222CC..THydrogen-bonded Turntrans-82.1-10.3175.2-67.1-57.9160.200114.7V650 Q651 L652 R662 R697V650-E654 PolarHBondContact O-N 2.93Å; Q651-E654 PolarHBondContact O-N 3.21Å; L652-E654 PolarHBondContact O-N 2.86Å; E654-R662 PolarHBondContact O-NH1 3.23Å; E654-R662 IonicContact OE2-NH1 2.79Å; E654-R662 PolarHBondContact OE2-NH1 2.97Å; E654-R697 WeakPolarHBondContact OE1-CB 3.41Å; E654-R697 VanDerWaalsContact OE1-CG 3.31Å; E654-R697 WeakPolarHBondContact OE1-CG 3.38Å; E654-R697 IonicContact OE1-CZ 2.58Å; E654-R697 IonicContact OE1-NE 3.11Å; E654-R697 PolarHBondContact OE1-NE 3.41Å; E654-R697 IonicContact OE1-NH2 3.89Å; E654-R697 IonicContact OE2-CZ 3.24Å; E654-R697 IonicContact OE2-NE 2.75Å; E654-R697 PolarHBondContact OE2-NE 3.49Å; E654-R697 IonicContact OE2-NH2 3.82Å; E654-R697 PolarHBondContact OE2-NH2 3.47Å
655S88.2Confident88.8Confident22 Ų2239.5 Ų39.515%0.15420%0.202CC..SBendtrans-76.2164.5176.883.10000112.6Q651 L652 I653 I657 F658 R662Q651-S655 PolarHBondContact O-N 3.21Å; L652-S655 WeakPolarHBondContact O-CA 3.21Å; L652-S655 WeakPolarHBondContact O-CB 3.31Å; L652-S655 PolarHBondContact O-N 3.08Å; L652-S655 PolarHBondContact O-OG 3.27Å; I653-S655 VanDerWaalsContact C-N 3.34Å; S655-I657 PolarHBondContact O-N 2.91Å; S655-I657 VanDerWaalsContact O-N 3.07Å; S655-I657 WeakPolarHBondContact OG-CD1 3.36Å; S655-I657 PolarHBondContact OG-N 3.33Å; S655-F658 PolarHBondContact O-N 3.38Å; S655-R662 PolarHBondContact O-NH2 2.83Å
656P86.8Confident88.5Confident112 Ų11243.2 Ų43.273%0.72722%0.221SC*.G310 helixtrans-56.2-26.1177.5-2736000114.6F658 T659P656-F658 VanDerWaalsContact C-N 3.29Å; P656-F658 PolarHBondContact O-N 2.88Å; P656-T659 VanDerWaalsContact C-OG1 3.3Å; P656-T659 VanDerWaalsContact CA-OG1 3.3Å; P656-T659 WeakPolarHBondContact CA-OG1 3.19Å; P656-T659 WeakPolarHBondContact O-CB 3.37Å; P656-T659 PolarHBondContact O-N 3.24Å; P656-T659 VanDerWaalsContact O-N 3.14Å; P656-T659 PolarHBondContact O-OG1 3.31Å
657I85.4Confident88Confident35 Ų3546.1 Ų46.118%0.17924%0.237CC..G310 helixtrans-59.1-42.6-176.2-57.3152.8000110.6L575 T576 L652 S655 Y660L575-I657 HydrophobicContact CB-CD1 4.47Å; L575-I657 HydrophobicContact CD2-CG2 4.36Å; L575-I657 WeakPolarHBondContact O-CD1 3.42Å; L575-I657 WeakPolarHBondContact O-CG1 3.3Å; T576-I657 HydrophobicContact CG2-CD1 4.31Å; L652-I657 HydrophobicContact CD2-CD1 4.16Å; S655-I657 PolarHBondContact O-N 2.91Å; S655-I657 VanDerWaalsContact O-N 3.07Å; S655-I657 WeakPolarHBondContact OG-CD1 3.36Å; S655-I657 PolarHBondContact OG-N 3.33Å; I657-Y660 WeakPolarHBondContact O-CD1 3.39Å; I657-Y660 WeakPolarHBondContact O-CE1 3.47Å
658F89.5Confident87.4Confident0 Ų045.7 Ų45.70%024%0.236CC..G310 helixtrans-100.425.1-179.6-71.4-62000113L575 F618 L649 L652 I653 S655 P656 Y660 L661 R662L575-F658 HydrophobicContact CD1-CE2 4.37Å; L575-F658 HydrophobicContact CD1-CZ 4.42Å; L575-F658 HydrophobicContact CD2-CE2 4.29Å; L575-F658 HydrophobicContact CD2-CZ 3.85Å; F618-F658 HydrophobicContact CB-CE1 3.82Å; F618-F658 HydrophobicContact CB-CZ 4.21Å; L649-F658 HydrophobicContact CD1-CE2 4.46Å; L652-F658 HydrophobicContact CB-CD2 4.34Å; L652-F658 HydrophobicContact CB-CE2 4.23Å; L652-F658 WeakPolarHBondContact O-CD2 3.45Å; I653-F658 HydrophobicContact CG1-CD2 4.34Å; S655-F658 PolarHBondContact O-N 3.38Å; P656-F658 VanDerWaalsContact C-N 3.29Å; P656-F658 PolarHBondContact O-N 2.88Å; F658-Y660 HydrophobicContact CD1-CE1 4.09Å; F658-Y660 AromaticContact CD1-CZ 3.84Å; F658-Y660 VanDerWaalsContact CD1-OH 3.29Å; F658-Y660 WeakPolarHBondContact CD1-OH 3.32Å; F658-Y660 WeakPolarHBondContact CE1-OH 3.18Å; F658-Y660 PolarHBondContact O-N 3.4Å; F658-L661 HydrophobicContact CB-CB 4.15Å; F658-L661 HydrophobicContact CD1-CB 4.31Å; F658-L661 HydrophobicContact CD1-CD1 4.01Å; F658-L661 HydrophobicContact CG-CD1 4.5Å; F658-L661 WeakPolarHBondContact O-CB 3.22Å; F658-L661 PolarHBondContact O-N 3.48Å; F658-L661 VanDerWaalsContact O-N 3.11Å; F658-R662 PolarHBondContact O-N 3.19Å; F658-R662 VanDerWaalsContact O-N 3.09Å
659T87.7Confident86.5Confident57 Ų5744.6 Ų44.635%0.3523%0.232SC..Hα-helixtrans-56.6-39.3174.6-57.80000112P656 L661 R662 L663P656-T659 VanDerWaalsContact C-OG1 3.3Å; P656-T659 VanDerWaalsContact CA-OG1 3.3Å; P656-T659 WeakPolarHBondContact CA-OG1 3.19Å; P656-T659 WeakPolarHBondContact O-CB 3.37Å; P656-T659 PolarHBondContact O-N 3.24Å; P656-T659 VanDerWaalsContact O-N 3.14Å; P656-T659 PolarHBondContact O-OG1 3.31Å; T659-L661 PolarHBondContact O-N 3.14Å; T659-R662 PolarHBondContact O-N 3.17Å; T659-R662 PolarHBondContact OG1-NH2 3.35Å; T659-L663 HydrophobicContact CG2-CD1 4.28Å; T659-L663 HydrophobicContact CG2-CG 4.48Å; T659-L663 WeakPolarHBondContact O-CG 3.34Å; T659-L663 PolarHBondContact O-N 3.29Å
660Y87.9Confident85.7Confident30 Ų3049.2 Ų49.212%0.11826%0.257CS..Hα-helixtrans-64.4-38.8177.268.5-89.5000112.5K588 F618 L619 Q621 I657 F658 R662 L663 Q664K588-Y660 HydrophobicContact CD-CD1 4.37Å; K588-Y660 HydrophobicContact CD-CE1 4.42Å; K588-Y660 HydrophobicContact CD-CG 4.49Å; K588-Y660 VanDerWaalsContact CE-CG 3.47Å; K588-Y660 VanDerWaalsContact NZ-CB 3.32Å; K588-Y660 VanDerWaalsContact NZ-CG 3.3Å; F618-Y660 PolarHBondContact O-OH 2.93Å; L619-Y660 WeakPolarHBondContact CA-OH 3.38Å; L619-Y660 PolarHBondContact O-OH 3.14Å; Q621-Y660 HydrophobicContact CG-CD2 4.25Å; Q621-Y660 HydrophobicContact CG-CE2 3.83Å; I657-Y660 WeakPolarHBondContact O-CD1 3.39Å; I657-Y660 WeakPolarHBondContact O-CE1 3.47Å; F658-Y660 HydrophobicContact CD1-CE1 4.09Å; F658-Y660 AromaticContact CD1-CZ 3.84Å; F658-Y660 VanDerWaalsContact CD1-OH 3.29Å; F658-Y660 WeakPolarHBondContact CD1-OH 3.32Å; F658-Y660 WeakPolarHBondContact CE1-OH 3.18Å; F658-Y660 PolarHBondContact O-N 3.4Å; Y660-R662 VanDerWaalsContact C-N 3.32Å; Y660-R662 PolarHBondContact O-N 3.31Å; Y660-L663 PolarHBondContact O-N 2.58Å; Y660-Q664 WeakPolarHBondContact O-CB 3.31Å; Y660-Q664 VanDerWaalsContact O-CG 3.28Å; Y660-Q664 WeakPolarHBondContact O-CG 3.42Å; Y660-Q664 PolarHBondContact O-N 3.01Å
661L87.6Confident85.3Confident0 Ų050.8 Ų50.80%027%0.265CS..Hα-helixtrans-62.8-43.1176.9-178.8160.8000109.7F618 Y623 I653 F658 T659 Q664 L665 L674 L678F618-L661 HydrophobicContact CB-CD1 3.91Å; F618-L661 HydrophobicContact CD1-CD1 4.24Å; F618-L661 HydrophobicContact CD2-CD1 4.47Å; F618-L661 HydrophobicContact CG-CD1 3.99Å; Y623-L661 HydrophobicContact CE1-CD1 4.17Å; Y623-L661 HydrophobicContact CE1-CG 4.37Å; I653-L661 HydrophobicContact CG2-CD2 4.17Å; F658-L661 HydrophobicContact CB-CB 4.15Å; F658-L661 HydrophobicContact CD1-CB 4.31Å; F658-L661 HydrophobicContact CD1-CD1 4.01Å; F658-L661 HydrophobicContact CG-CD1 4.5Å; F658-L661 WeakPolarHBondContact O-CB 3.22Å; F658-L661 PolarHBondContact O-N 3.48Å; F658-L661 VanDerWaalsContact O-N 3.11Å; T659-L661 PolarHBondContact O-N 3.14Å; L661-Q664 PolarHBondContact O-N 2.98Å; L661-L665 PolarHBondContact O-N 2.95Å; L661-L674 HydrophobicContact CD1-CD1 3.98Å; L661-L674 HydrophobicContact CD2-CD1 3.86Å; L661-L674 HydrophobicContact CD2-CD2 4.25Å; L661-L674 HydrophobicContact CG-CD1 3.73Å; L661-L674 HydrophobicContact CG-CD2 4.09Å; L661-L678 HydrophobicContact CD2-CD1 4.31Å
662R89.5Confident85Confident57 Ų5748.3 Ų48.322%0.21526%0.258CS..Hα-helixtrans-65.4-38.1176.2-67.3179.6-67.4175.50.5112.9I653 E654 S655 F658 T659 Y660 Q664 L665I653-R662 VanDerWaalsContact O-CD 3.29Å; I653-R662 WeakPolarHBondContact O-CD 3.45Å; I653-R662 PolarHBondContact O-NE 3.01Å; E654-R662 PolarHBondContact O-NH1 3.23Å; E654-R662 IonicContact OE2-NH1 2.79Å; E654-R662 PolarHBondContact OE2-NH1 2.97Å; S655-R662 PolarHBondContact O-NH2 2.83Å; F658-R662 PolarHBondContact O-N 3.19Å; F658-R662 VanDerWaalsContact O-N 3.09Å; T659-R662 PolarHBondContact O-N 3.17Å; T659-R662 PolarHBondContact OG1-NH2 3.35Å; Y660-R662 VanDerWaalsContact C-N 3.32Å; Y660-R662 PolarHBondContact O-N 3.31Å; R662-Q664 VanDerWaalsContact C-N 3.31Å; R662-L665 WeakPolarHBondContact O-CB 3.43Å; R662-L665 PolarHBondContact O-N 2.6Å
663L85.9Confident84.9Confident109 Ų10950.8 Ų50.857%0.57127%0.266SS*.Hα-helixtrans-66.2-35.3173.4-69.6173.5000111.7T659 Y660 L665 L666T659-L663 HydrophobicContact CG2-CD1 4.28Å; T659-L663 HydrophobicContact CG2-CG 4.48Å; T659-L663 WeakPolarHBondContact O-CG 3.34Å; T659-L663 PolarHBondContact O-N 3.29Å; Y660-L663 PolarHBondContact O-N 2.58Å; L663-L665 PolarHBondContact O-N 2.87Å; L663-L666 WeakPolarHBondContact O-CB 3.32Å; L663-L666 WeakPolarHBondContact O-CG 3.37Å; L663-L666 PolarHBondContact O-N 2.85Å
664Q86.2Confident84.7Confident44 Ų4450.8 Ų50.821%0.20627%0.266CS..Hα-helixtrans-70.7-15.6177-75172.6-15.500113.8Y623 Y660 L661 R662 L666 D667 L674Y623-Q664 VanDerWaalsContact CE2-OE1 3.31Å; Y623-Q664 VanDerWaalsContact CZ-OE1 3.29Å; Y623-Q664 PolarHBondContact OH-OE1 3.25Å; Y660-Q664 WeakPolarHBondContact O-CB 3.31Å; Y660-Q664 VanDerWaalsContact O-CG 3.28Å; Y660-Q664 WeakPolarHBondContact O-CG 3.42Å; Y660-Q664 PolarHBondContact O-N 3.01Å; L661-Q664 PolarHBondContact O-N 2.98Å; R662-Q664 VanDerWaalsContact C-N 3.31Å; Q664-L666 PolarHBondContact O-N 3.06Å; Q664-D667 PolarHBondContact O-N 3.44Å; Q664-D667 VanDerWaalsContact O-N 3.17Å; Q664-L674 HydrophobicContact CB-CD2 4.18Å
665L85.1Confident84.7Confident7 Ų749.8 Ų49.84%0.03726%0.262CS..THydrogen-bonded Turntrans-67-16170-66.1173.8000113.4L661 R662 L663 D667 L674 I675 L678 R697 V701L661-L665 PolarHBondContact O-N 2.95Å; R662-L665 WeakPolarHBondContact O-CB 3.43Å; R662-L665 PolarHBondContact O-N 2.6Å; L663-L665 PolarHBondContact O-N 2.87Å; L665-D667 VanDerWaalsContact C-N 3.3Å; L665-L674 HydrophobicContact CD2-CD2 3.7Å; L665-L674 HydrophobicContact CD2-CG 3.78Å; L665-L674 HydrophobicContact CG-CD2 4.2Å; L665-I675 HydrophobicContact CD2-CG1 4.05Å; L665-L678 HydrophobicContact CD1-CD1 4.08Å; L665-L678 HydrophobicContact CD2-CD1 3.73Å; L665-L678 HydrophobicContact CG-CD1 4.47Å; L665-R697 HydrophobicContact CD1-CG 4.25Å; L665-V701 HydrophobicContact CB-CG2 4.25Å; L665-V701 HydrophobicContact CD1-CG2 4.43Å
666L82Confident84.6Confident100 Ų10053.6 Ų53.652%0.52428%0.276SS..THydrogen-bonded Turntrans-70.2-30.2172.3-64.7169.3000111.7L663 Q664 V668 P702L663-L666 WeakPolarHBondContact O-CB 3.32Å; L663-L666 WeakPolarHBondContact O-CG 3.37Å; L663-L666 PolarHBondContact O-N 2.85Å; Q664-L666 PolarHBondContact O-N 3.06Å; L666-V668 PolarHBondContact O-N 3.21Å; L666-P702 HydrophobicContact CD2-CG 3.96Å
667D79.8Confident84.8Confident62 Ų6248.3 Ų48.333%0.33224%0.241SC..  trans-98.774.7-177.4-169.8-9.2000110.7Q664 L665 E669 N670 N671Q664-D667 PolarHBondContact O-N 3.44Å; Q664-D667 VanDerWaalsContact O-N 3.17Å; L665-D667 VanDerWaalsContact C-N 3.3Å; D667-E669 VanDerWaalsContact C-N 3.26Å; D667-E669 PolarHBondContact O-N 3.09Å; D667-N670 VanDerWaalsContact CG-ND2 3.26Å; D667-N670 WeakPolarHBondContact OD1-CB 3.39Å; D667-N670 PolarHBondContact OD1-N 3.38Å; D667-N670 VanDerWaalsContact OD1-N 3.09Å; D667-N670 PolarHBondContact OD1-ND2 2.95Å; D667-N670 WeakPolarHBondContact OD2-CB 3.31Å; D667-N670 PolarHBondContact OD2-ND2 3.2Å; D667-N671 PolarHBondContact O-N 2.72Å; D667-N671 VanDerWaalsContact O-N 3.1Å; D667-N671 PolarHBondContact O-ND2 2.83Å
668V76.1Confident85Confident26 Ų2646.6 Ų46.616%0.15823%0.233CC..THydrogen-bonded Turntrans-62.7-33.2-177.4179.80000111.8L666 I675 V701 P704L666-V668 PolarHBondContact O-N 3.21Å; V668-I675 HydrophobicContact CB-CD1 4.09Å; V668-I675 HydrophobicContact CG1-CD1 3.66Å; V668-I675 HydrophobicContact CG2-CD1 3.92Å; V668-V701 HydrophobicContact CG2-CG1 3.83Å; V668-P704 HydrophobicContact CB-CB 4.24Å; V668-P704 HydrophobicContact CG1-CB 3.92Å; V668-P704 HydrophobicContact CG1-CG 3.97Å
669E72.5Confident85Confident89 Ų8951.4 Ų51.442%0.41625%0.251SS..THydrogen-bonded Turntrans-73.6-41.3-176.7-63.9-163.7165.300112.3D667D667-E669 VanDerWaalsContact C-N 3.26Å; D667-E669 PolarHBondContact O-N 3.09Å
670N76.1Confident85Confident100 Ų10049.6 Ų49.654%0.53524%0.244SC..THydrogen-bonded Turntrans-85.1-19.5179.5-62.9-55.6000113.2D667D667-N670 VanDerWaalsContact CG-ND2 3.26Å; D667-N670 WeakPolarHBondContact OD1-CB 3.39Å; D667-N670 PolarHBondContact OD1-N 3.38Å; D667-N670 VanDerWaalsContact OD1-N 3.09Å; D667-N670 PolarHBondContact OD1-ND2 2.95Å; D667-N670 WeakPolarHBondContact OD2-CB 3.31Å; D667-N670 PolarHBondContact OD2-ND2 3.2Å
671N83.4Confident85Confident34 Ų3448.2 Ų48.218%0.18224%0.239CC..  trans-12450.6-178-58.9-67.6000115.1D667 Y673 L674D667-N671 PolarHBondContact O-N 2.72Å; D667-N671 VanDerWaalsContact O-N 3.1Å; D667-N671 PolarHBondContact O-ND2 2.83Å; N671-Y673 VanDerWaalsContact C-N 3.28Å; N671-Y673 PolarHBondContact O-N 2.94Å; N671-L674 HydrophobicContact CB-CB 4.18Å; N671-L674 WeakPolarHBondContact O-CB 3.35Å; N671-L674 PolarHBondContact O-N 3.43Å
672P84.8Confident85.1Confident52 Ų5248.6 Ų48.634%0.33824%0.241SC..Hα-helixtrans-65.9-30.6-176.727.3-35.5000113.1L674 K676P672-L674 VanDerWaalsContact C-N 3.34Å; P672-K676 WeakPolarHBondContact O-CG 3.5Å; P672-K676 PolarHBondContact O-N 3.24Å
673Y87.6Confident85.1Confident84 Ų8452.6 Ų52.633%0.32926%0.264SS..Hα-helixtrans-72.2-26.6179.3-65.9-76.5000113.1K624 Y627 N671 K676 A677K624-Y673 HydrophobicContact CB-CD1 4.35Å; K624-Y673 HydrophobicContact CB-CD2 4Å; K624-Y673 HydrophobicContact CB-CE2 4.4Å; K624-Y673 HydrophobicContact CB-CG 3.97Å; K624-Y673 HydrophobicContact CD-CE1 4.47Å; K624-Y673 HydrophobicContact CD-CE2 4.1Å; K624-Y673 HydrophobicContact CG-CD1 4.13Å; K624-Y673 HydrophobicContact CG-CD2 4.27Å; K624-Y673 HydrophobicContact CG-CE1 4.09Å; K624-Y673 HydrophobicContact CG-CE2 4.23Å; K624-Y673 HydrophobicContact CG-CG 4.22Å; Y627-Y673 HydrophobicContact CD1-CD1 4.14Å; N671-Y673 VanDerWaalsContact C-N 3.28Å; N671-Y673 PolarHBondContact O-N 2.94Å; Y673-K676 PolarHBondContact O-N 2.8Å; Y673-A677 VanDerWaalsContact O-CB 3.26Å; Y673-A677 WeakPolarHBondContact O-CB 3.4Å; Y673-A677 PolarHBondContact O-N 2.85Å
674L88.3Confident85.1Confident0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-63.9-47.7174.9173.256.8000110.3F618 Y623 L661 Q664 L665 N671 P672 K676 A677 L678F618-L674 HydrophobicContact CE1-CD1 4.45Å; Y623-L674 HydrophobicContact CD1-CB 4.13Å; Y623-L674 HydrophobicContact CD1-CD1 3.67Å; Y623-L674 HydrophobicContact CD1-CG 4.35Å; Y623-L674 HydrophobicContact CD2-CB 3.93Å; Y623-L674 HydrophobicContact CD2-CD2 4.49Å; Y623-L674 HydrophobicContact CE1-CD1 3.71Å; Y623-L674 HydrophobicContact CE1-CD2 4.4Å; Y623-L674 HydrophobicContact CE1-CG 4.45Å; Y623-L674 HydrophobicContact CE2-CB 4.41Å; Y623-L674 HydrophobicContact CE2-CD2 4.15Å; Y623-L674 HydrophobicContact CG-CB 3.77Å; Y623-L674 HydrophobicContact CG-CD1 4.21Å; Y623-L674 HydrophobicContact CG-CG 4.44Å; L661-L674 HydrophobicContact CD1-CD1 3.98Å; L661-L674 HydrophobicContact CD2-CD1 3.86Å; L661-L674 HydrophobicContact CD2-CD2 4.25Å; L661-L674 HydrophobicContact CG-CD1 3.73Å; L661-L674 HydrophobicContact CG-CD2 4.09Å; Q664-L674 HydrophobicContact CB-CD2 4.18Å; L665-L674 HydrophobicContact CD2-CD2 3.7Å; L665-L674 HydrophobicContact CD2-CG 3.78Å; L665-L674 HydrophobicContact CG-CD2 4.2Å; N671-L674 HydrophobicContact CB-CB 4.18Å; N671-L674 WeakPolarHBondContact O-CB 3.35Å; N671-L674 PolarHBondContact O-N 3.43Å; P672-L674 VanDerWaalsContact C-N 3.34Å; L674-K676 PolarHBondContact O-N 3.05Å; L674-A677 PolarHBondContact O-N 3.23Å; L674-L678 HydrophobicContact CD1-CD1 4.27Å; L674-L678 HydrophobicContact CD1-CG 4.17Å; L674-L678 WeakPolarHBondContact O-CG 3.44Å; L674-L678 PolarHBondContact O-N 3.41Å
675I87.6Confident85.1Confident26 Ų2648.1 Ų48.113%0.13324%0.241CC..Hα-helixtrans-63-45178.2-64.7165.7000110.4L665 V668 A677 L678 Y679 V701L665-I675 HydrophobicContact CD2-CG1 4.05Å; V668-I675 HydrophobicContact CB-CD1 4.09Å; V668-I675 HydrophobicContact CG1-CD1 3.66Å; V668-I675 HydrophobicContact CG2-CD1 3.92Å; I675-A677 VanDerWaalsContact C-N 3.34Å; I675-A677 PolarHBondContact O-N 2.84Å; I675-L678 PolarHBondContact O-N 2.93Å; I675-Y679 HydrophobicContact CG2-CD2 3.57Å; I675-Y679 HydrophobicContact CG2-CE2 3.58Å; I675-Y679 WeakPolarHBondContact O-CD2 3.28Å; I675-Y679 PolarHBondContact O-N 3.37Å; I675-V701 HydrophobicContact CD1-CG1 4.16Å
676K87.2Confident85Confident102 Ų10251 Ų5144%0.44326%0.26SS..Hα-helixtrans-60.6-40.9176.3-71.3179.3179.6-1770112.5Y627 P672 Y673 L674 G680Y627-K676 HydrophobicContact CD2-CB 3.64Å; Y627-K676 HydrophobicContact CE2-CB 3.63Å; Y627-K676 HydrophobicContact CG-CB 4.22Å; P672-K676 WeakPolarHBondContact O-CG 3.5Å; P672-K676 PolarHBondContact O-N 3.24Å; Y673-K676 PolarHBondContact O-N 2.8Å; L674-K676 PolarHBondContact O-N 3.05Å; K676-G680 PolarHBondContact O-N 2.84Å
677A90.5Very high85.2Confident0 Ų054.8 Ų54.80%028%0.275CS..Hα-helixtrans-63.1-47.5175.100000111.6F618 I630 Y673 L674 I675 G680 L681F618-A677 HydrophobicContact CE1-CB 3.91Å; F618-A677 HydrophobicContact CZ-CB 4.1Å; I630-A677 HydrophobicContact CD1-CB 3.65Å; I630-A677 WeakPolarHBondContact CD1-O 3.38Å; Y673-A677 VanDerWaalsContact O-CB 3.26Å; Y673-A677 WeakPolarHBondContact O-CB 3.4Å; Y673-A677 PolarHBondContact O-N 2.85Å; L674-A677 PolarHBondContact O-N 3.23Å; I675-A677 VanDerWaalsContact C-N 3.34Å; I675-A677 PolarHBondContact O-N 2.84Å; A677-G680 WeakPolarHBondContact O-CA 3.47Å; A677-G680 PolarHBondContact O-N 3.26Å; A677-G680 VanDerWaalsContact O-N 3.14Å; A677-L681 PolarHBondContact O-N 3.2Å
678L90.4Very high85.7Confident0 Ų053.3 Ų53.30%027%0.27CS..Hα-helixtrans-64.6-41.9178.7-66.8-175.4000112.8F618 I653 L661 L665 L674 I675 G680 L681 L682 L694 L698F618-L678 HydrophobicContact CE2-CD2 4.43Å; F618-L678 HydrophobicContact CZ-CD2 4.16Å; I653-L678 HydrophobicContact CD1-CD2 3.71Å; L661-L678 HydrophobicContact CD2-CD1 4.31Å; L665-L678 HydrophobicContact CD1-CD1 4.08Å; L665-L678 HydrophobicContact CD2-CD1 3.73Å; L665-L678 HydrophobicContact CG-CD1 4.47Å; L674-L678 HydrophobicContact CD1-CD1 4.27Å; L674-L678 HydrophobicContact CD1-CG 4.17Å; L674-L678 WeakPolarHBondContact O-CG 3.44Å; L674-L678 PolarHBondContact O-N 3.41Å; I675-L678 PolarHBondContact O-N 2.93Å; L678-G680 VanDerWaalsContact C-N 3.3Å; L678-G680 PolarHBondContact O-N 3.14Å; L678-L681 PolarHBondContact O-N 2.99Å; L678-L682 PolarHBondContact O-N 3.46Å; L678-L694 HydrophobicContact CB-CD1 4.34Å; L678-L694 HydrophobicContact CD2-CD1 4.29Å; L678-L694 WeakPolarHBondContact O-CD2 3.3Å; L678-L698 HydrophobicContact CB-CD1 4.21Å; L678-L698 HydrophobicContact CB-CD2 3.9Å; L678-L698 HydrophobicContact CD1-CD2 4.04Å
679Y88.9Confident86.3Confident101 Ų10159 Ų5940%0.39630%0.295SS..Hα-helixtrans-64.6-35.2171.6-84.5-69.5000112I675 L682 M683 L698I675-Y679 HydrophobicContact CG2-CD2 3.57Å; I675-Y679 HydrophobicContact CG2-CE2 3.58Å; I675-Y679 WeakPolarHBondContact O-CD2 3.28Å; I675-Y679 PolarHBondContact O-N 3.37Å; Y679-L682 HydrophobicContact CD1-CD2 4Å; Y679-L682 HydrophobicContact CE1-CD2 4.26Å; Y679-L682 WeakPolarHBondContact O-CB 3.32Å; Y679-L682 PolarHBondContact O-N 3.24Å; Y679-M683 VanDerWaalsContact O-CG 3.3Å; Y679-M683 WeakPolarHBondContact O-CG 3.43Å; Y679-M683 PolarHBondContact O-N 3.5Å; Y679-L698 HydrophobicContact CD1-CD1 3.8Å; Y679-L698 HydrophobicContact CD2-CD1 4.2Å; Y679-L698 HydrophobicContact CD2-CD2 4.38Å; Y679-L698 HydrophobicContact CE1-CB 4.27Å; Y679-L698 HydrophobicContact CE1-CD1 3.84Å; Y679-L698 HydrophobicContact CE2-CB 4.44Å; Y679-L698 HydrophobicContact CE2-CD1 4.24Å; Y679-L698 HydrophobicContact CE2-CD2 4.14Å; Y679-L698 HydrophobicContact CG-CD1 3.98Å
680G87.1Confident87.1Confident19 Ų1954.8 Ų54.820%0.19628%0.275CS..Hα-helixtrans-59.4-46.3172.600000112.3K676 A677 L678 L682 M683 L684K676-G680 PolarHBondContact O-N 2.84Å; A677-G680 WeakPolarHBondContact O-CA 3.47Å; A677-G680 PolarHBondContact O-N 3.26Å; A677-G680 VanDerWaalsContact O-N 3.14Å; L678-G680 VanDerWaalsContact C-N 3.3Å; L678-G680 PolarHBondContact O-N 3.14Å; G680-L682 VanDerWaalsContact C-N 3.35Å; G680-L682 PolarHBondContact O-N 3.22Å; G680-M683 PolarHBondContact O-N 3.36Å; G680-L684 WeakPolarHBondContact O-CG 3.37Å; G680-L684 PolarHBondContact O-N 3.11Å
681L88.8Confident87.8Confident1 Ų152.7 Ų52.71%0.00526%0.262CS..Hα-helixtrans-62.8-40.1173.4-68.9174.8000112.3F618 I630 V646 L649 A677 L678 M683 L684 L685 L694F618-L681 HydrophobicContact CE2-CD1 3.61Å; F618-L681 HydrophobicContact CZ-CD1 3.8Å; I630-L681 HydrophobicContact CD1-CD1 4.28Å; I630-L681 HydrophobicContact CD1-CD2 4.06Å; I630-L681 HydrophobicContact CD1-CG 3.81Å; I630-L681 HydrophobicContact CG1-CD2 4.04Å; I630-L681 HydrophobicContact CG1-CG 4.32Å; V646-L681 HydrophobicContact CG1-CD2 4.25Å; L649-L681 HydrophobicContact CD2-CD1 4.33Å; A677-L681 PolarHBondContact O-N 3.2Å; L678-L681 PolarHBondContact O-N 2.99Å; L681-M683 VanDerWaalsContact C-N 3.27Å; L681-M683 PolarHBondContact O-N 2.86Å; L681-L684 PolarHBondContact O-N 3.48Å; L681-L685 PolarHBondContact O-N 3.39Å; L681-L694 HydrophobicContact CB-CD2 4.21Å
682L89.3Confident88.2Confident7 Ų756.1 Ų56.14%0.03728%0.277CS..Hα-helixtrans-59.2-39.5176.6-173.371.6000111.8L678 Y679 G680 L684 L685 F691 L694 L698L678-L682 PolarHBondContact O-N 3.46Å; Y679-L682 HydrophobicContact CD1-CD2 4Å; Y679-L682 HydrophobicContact CE1-CD2 4.26Å; Y679-L682 WeakPolarHBondContact O-CB 3.32Å; Y679-L682 PolarHBondContact O-N 3.24Å; G680-L682 VanDerWaalsContact C-N 3.35Å; G680-L682 PolarHBondContact O-N 3.22Å; L682-L684 VanDerWaalsContact C-N 3.31Å; L682-L684 PolarHBondContact O-N 2.89Å; L682-L685 PolarHBondContact O-N 3.48Å; L682-F691 HydrophobicContact CD1-CB 4.44Å; L682-F691 HydrophobicContact CD1-CD2 3.41Å; L682-F691 VanDerWaalsContact CD1-CD2 3.41Å; L682-F691 HydrophobicContact CD1-CE2 3.65Å; L682-F691 HydrophobicContact CD1-CG 3.92Å; L682-F691 HydrophobicContact CD1-CZ 4.33Å; L682-F691 VanDerWaalsContact CD1-O 3.27Å; L682-F691 WeakPolarHBondContact CD1-O 3.27Å; L682-F691 HydrophobicContact CD2-CE2 4.3Å; L682-F691 HydrophobicContact CG-CD2 3.85Å; L682-F691 HydrophobicContact CG-CE2 3.66Å; L682-F691 HydrophobicContact CG-CZ 4.45Å; L682-F691 WeakPolarHBondContact O-CD2 3.5Å; L682-L694 HydrophobicContact CB-CD2 3.98Å; L682-L694 HydrophobicContact CB-CG 4.49Å; L682-L694 HydrophobicContact CD1-CB 3.99Å; L682-L694 HydrophobicContact CD1-CD2 4.26Å; L682-L694 HydrophobicContact CD1-CG 4.2Å; L682-L698 HydrophobicContact CD2-CD1 4.2Å
683M89.4Confident88.5Confident142 Ų14256.8 Ų56.870%0.728%0.277SS*.Hα-helixtrans-75.3-17.4-179.5-66.5-63.5144.200113.8Y679 G680 L681Y679-M683 VanDerWaalsContact O-CG 3.3Å; Y679-M683 WeakPolarHBondContact O-CG 3.43Å; Y679-M683 PolarHBondContact O-N 3.5Å; G680-M683 PolarHBondContact O-N 3.36Å; L681-M683 VanDerWaalsContact C-N 3.27Å; L681-M683 PolarHBondContact O-N 2.86Å
684L85.6Confident88.7Confident45 Ų4552.9 Ų52.924%0.23626%0.261CS..Hα-helixtrans-84.7-23174.9-69171.1000112.8I630 F633 G680 L681 L682I630-L684 HydrophobicContact CG2-CD1 4.16Å; F633-L684 HydrophobicContact CB-CD1 3.77Å; F633-L684 HydrophobicContact CB-CD2 4.4Å; F633-L684 HydrophobicContact CD2-CD1 3.66Å; F633-L684 HydrophobicContact CG-CD1 4.2Å; G680-L684 WeakPolarHBondContact O-CG 3.37Å; G680-L684 PolarHBondContact O-N 3.11Å; L681-L684 PolarHBondContact O-N 3.48Å; L682-L684 VanDerWaalsContact C-N 3.31Å; L682-L684 PolarHBondContact O-N 2.89Å
685L86.1Confident88.7Confident13 Ų1353.5 Ų53.57%0.06827%0.266CS..SBendtrans-79.5139.4-177.9-76.2167.8000111.2V646 V650 L681 L682 A690 F691V646-L685 HydrophobicContact CB-CD2 4.11Å; V646-L685 HydrophobicContact CG1-CD1 4.25Å; V646-L685 HydrophobicContact CG1-CD2 3.7Å; V646-L685 HydrophobicContact CG1-CG 3.84Å; V650-L685 HydrophobicContact CG2-CD1 3.84Å; L681-L685 PolarHBondContact O-N 3.39Å; L682-L685 PolarHBondContact O-N 3.48Å; L685-A690 HydrophobicContact CD1-CB 4.03Å; L685-F691 HydrophobicContact CB-CB 4.24Å
686P84.6Confident88.9Confident67 Ų6757 Ų5744%0.43528%0.282SS..  trans-63.1172.6162.230.2-34.2000109.8S688 F691P686-S688 PolarHBondContact O-N 3.34Å; P686-F691 VanDerWaalsContact O-CB 3.25Å; P686-F691 WeakPolarHBondContact O-CB 3.33Å
687Q85.5Confident89Confident180 Ų18056.1 Ų56.184%0.84128%0.275SS*.SBendtrans-69.357.9176.1-64.2-1744.900112.7
688S90.1Very high88.9Confident32 Ų3256.3 Ų56.322%0.22428%0.276CS..SBendtrans-89.3178.1178.874.70000111.7D647 P686 A690 F691 Q692D647-S688 PolarHBondContact OD1-OG 2.68Å; P686-S688 PolarHBondContact O-N 3.34Å; S688-A690 VanDerWaalsContact C-N 3.33Å; S688-A690 PolarHBondContact O-N 3.17Å; S688-A690 PolarHBondContact OG-N 3.25Å; S688-F691 WeakPolarHBondContact O-CB 3.07Å; S688-F691 PolarHBondContact O-N 2.89Å; S688-F691 PolarHBondContact OG-N 3.11Å; S688-Q692 PolarHBondContact O-N 3.44Å
689Q88.9Confident88.6Confident145 Ų14565 Ų6568%0.67831%0.309SS*.Hα-helixtrans-62.5-38173.3-169.7174.26.400112.3F691 Q692 L693Q689-F691 VanDerWaalsContact C-N 3.32Å; Q689-F691 PolarHBondContact O-N 3.05Å; Q689-Q692 PolarHBondContact O-N 2.99Å; Q689-L693 HydrophobicContact CG-CD1 4.36Å; Q689-L693 WeakPolarHBondContact O-CG 3.28Å; Q689-L693 PolarHBondContact O-N 3.48Å
690A89.4Confident88.4Confident1 Ų164.6 Ų64.61%0.00832%0.32CS..Hα-helixtrans-61.9-38.7173.500000112.5D647 V650 L685 S688 Q692 L693 L694D647-A690 HydrophobicContact CB-CB 4.13Å; D647-A690 VanDerWaalsContact CG-CB 3.48Å; D647-A690 WeakPolarHBondContact OD1-CB 3.33Å; V650-A690 HydrophobicContact CB-CB 3.94Å; V650-A690 HydrophobicContact CG1-CB 3.85Å; V650-A690 WeakPolarHBondContact CG1-O 3.45Å; L685-A690 HydrophobicContact CD1-CB 4.03Å; S688-A690 VanDerWaalsContact C-N 3.33Å; S688-A690 PolarHBondContact O-N 3.17Å; S688-A690 PolarHBondContact OG-N 3.25Å; A690-Q692 VanDerWaalsContact C-N 3.31Å; A690-Q692 PolarHBondContact O-N 3.01Å; A690-L693 PolarHBondContact O-N 2.85Å; A690-L694 WeakPolarHBondContact O-CB 3.46Å; A690-L694 PolarHBondContact O-N 2.91Å
691F91.1Very high88.2Confident56 Ų5665.1 Ų65.125%0.24632%0.319CS..Hα-helixtrans-58.1-46.4173.5173.8-85.8000111L682 L685 P686 S688 Q689 S695L682-F691 HydrophobicContact CD1-CB 4.44Å; L682-F691 HydrophobicContact CD1-CD2 3.41Å; L682-F691 VanDerWaalsContact CD1-CD2 3.41Å; L682-F691 HydrophobicContact CD1-CE2 3.65Å; L682-F691 HydrophobicContact CD1-CG 3.92Å; L682-F691 HydrophobicContact CD1-CZ 4.33Å; L682-F691 VanDerWaalsContact CD1-O 3.27Å; L682-F691 WeakPolarHBondContact CD1-O 3.27Å; L682-F691 HydrophobicContact CD2-CE2 4.3Å; L682-F691 HydrophobicContact CG-CD2 3.85Å; L682-F691 HydrophobicContact CG-CE2 3.66Å; L682-F691 HydrophobicContact CG-CZ 4.45Å; L682-F691 WeakPolarHBondContact O-CD2 3.5Å; L685-F691 HydrophobicContact CB-CB 4.24Å; P686-F691 VanDerWaalsContact O-CB 3.25Å; P686-F691 WeakPolarHBondContact O-CB 3.33Å; S688-F691 WeakPolarHBondContact O-CB 3.07Å; S688-F691 PolarHBondContact O-N 2.89Å; S688-F691 PolarHBondContact OG-N 3.11Å; Q689-F691 VanDerWaalsContact C-N 3.32Å; Q689-F691 PolarHBondContact O-N 3.05Å; F691-S695 WeakPolarHBondContact O-CB 3.21Å; F691-S695 PolarHBondContact O-N 3.33Å
692Q91.6Very high87.5Confident106 Ų10666.6 Ų66.650%0.49533%0.329SS..Hα-helixtrans-63.6-44.5177.8-65.4177.5-2.100112S688 Q689 A690 S695 H696S688-Q692 PolarHBondContact O-N 3.44Å; Q689-Q692 PolarHBondContact O-N 2.99Å; A690-Q692 VanDerWaalsContact C-N 3.31Å; A690-Q692 PolarHBondContact O-N 3.01Å; Q692-S695 PolarHBondContact O-N 3.26Å; Q692-H696 WeakPolarHBondContact O-CB 3.27Å; Q692-H696 PolarHBondContact O-N 2.98Å; Q692-H696 PolarHBondContact O-ND1 3.21Å
693L90.7Very high86.5Confident66 Ų6670 Ų7035%0.34635%0.347SS..Hα-helixtrans-58.1-52.4177.8-75.6169.1000111.5Q689 A690 H696 R697Q689-L693 HydrophobicContact CG-CD1 4.36Å; Q689-L693 WeakPolarHBondContact O-CG 3.28Å; Q689-L693 PolarHBondContact O-N 3.48Å; A690-L693 PolarHBondContact O-N 2.85Å; L693-H696 PolarHBondContact O-N 3.37Å; L693-R697 PolarHBondContact O-N 3.27Å
694L90.7Very high85.2Confident1 Ų166 Ų661%0.00533%0.332CS..Hα-helixtrans-67.8-40.4-179.1-173.458.6000112V650 L678 L681 L682 A690 R697 L698V650-L694 HydrophobicContact CG1-CB 3.8Å; V650-L694 HydrophobicContact CG2-CD2 3.93Å; L678-L694 HydrophobicContact CB-CD1 4.34Å; L678-L694 HydrophobicContact CD2-CD1 4.29Å; L678-L694 WeakPolarHBondContact O-CD2 3.3Å; L681-L694 HydrophobicContact CB-CD2 4.21Å; L682-L694 HydrophobicContact CB-CD2 3.98Å; L682-L694 HydrophobicContact CB-CG 4.49Å; L682-L694 HydrophobicContact CD1-CB 3.99Å; L682-L694 HydrophobicContact CD1-CD2 4.26Å; L682-L694 HydrophobicContact CD1-CG 4.2Å; A690-L694 WeakPolarHBondContact O-CB 3.46Å; A690-L694 PolarHBondContact O-N 2.91Å; L694-R697 PolarHBondContact O-N 2.92Å; L694-L698 HydrophobicContact CD1-CD1 4.28Å; L694-L698 HydrophobicContact CD1-CG 4.34Å; L694-L698 HydrophobicContact CG-CD1 3.99Å; L694-L698 HydrophobicContact CG-CG 4.47Å; L694-L698 WeakPolarHBondContact O-CB 3.38Å; L694-L698 WeakPolarHBondContact O-CG 3.44Å; L694-L698 PolarHBondContact O-N 3.28Å
695S90.3Very high84Confident13 Ų1371.4 Ų71.49%0.09136%0.356CS..Hα-helixtrans-59.9-46.1174.4166.60000111.3F691 Q692 L698 R699F691-S695 WeakPolarHBondContact O-CB 3.21Å; F691-S695 PolarHBondContact O-N 3.33Å; Q692-S695 PolarHBondContact O-N 3.26Å; S695-L698 PolarHBondContact O-N 3Å; S695-R699 VanDerWaalsContact O-CG 3.28Å; S695-R699 WeakPolarHBondContact O-CG 3.24Å; S695-R699 PolarHBondContact O-N 3.46Å
696H90.6Very high82.4Confident101 Ų10177.8 Ų77.847%0.46839%0.39SS..Hα-helixtrans-62.7-42.7176.6-68.1152.7000111.7Q692 L693 L698 R699 C700Q692-H696 WeakPolarHBondContact O-CB 3.27Å; Q692-H696 PolarHBondContact O-N 2.98Å; Q692-H696 PolarHBondContact O-ND1 3.21Å; L693-H696 PolarHBondContact O-N 3.37Å; H696-L698 PolarHBondContact O-N 3.04Å; H696-R699 PolarHBondContact O-N 2.83Å; H696-C700 PolarHBondContact O-N 3.02Å; H696-C700 PolarHBondContact O-SG 3.05Å
697R90.3Very high81.1Confident82 Ų8279.5 Ų79.531%0.30939%0.393SS..Hα-helixtrans-60.1-44.91751785964.7-161.6-0.4112.3E654 L665 L693 L694 R699 C700E654-R697 WeakPolarHBondContact OE1-CB 3.41Å; E654-R697 VanDerWaalsContact OE1-CG 3.31Å; E654-R697 WeakPolarHBondContact OE1-CG 3.38Å; E654-R697 IonicContact OE1-CZ 2.58Å; E654-R697 IonicContact OE1-NE 3.11Å; E654-R697 PolarHBondContact OE1-NE 3.41Å; E654-R697 IonicContact OE1-NH2 3.89Å; E654-R697 IonicContact OE2-CZ 3.24Å; E654-R697 IonicContact OE2-NE 2.75Å; E654-R697 PolarHBondContact OE2-NE 3.49Å; E654-R697 IonicContact OE2-NH2 3.82Å; E654-R697 PolarHBondContact OE2-NH2 3.47Å; L665-R697 HydrophobicContact CD1-CG 4.25Å; L693-R697 PolarHBondContact O-N 3.27Å; L694-R697 PolarHBondContact O-N 2.92Å; R697-R699 VanDerWaalsContact C-N 3.32Å; R697-R699 PolarHBondContact O-N 3.41Å; R697-C700 WeakPolarHBondContact O-CB 3.34Å; R697-C700 PolarHBondContact O-N 3.22Å; R697-C700 VanDerWaalsContact O-N 3.12Å
698L86.9Confident79.6Confident4 Ų479.5 Ų79.52%0.02139%0.385CS..Hα-helixtrans-68.7-29.8179.9-72.7171.3000112.6L678 Y679 L682 L694 S695 H696 C700 V701L678-L698 HydrophobicContact CB-CD1 4.21Å; L678-L698 HydrophobicContact CB-CD2 3.9Å; L678-L698 HydrophobicContact CD1-CD2 4.04Å; Y679-L698 HydrophobicContact CD1-CD1 3.8Å; Y679-L698 HydrophobicContact CD2-CD1 4.2Å; Y679-L698 HydrophobicContact CD2-CD2 4.38Å; Y679-L698 HydrophobicContact CE1-CB 4.27Å; Y679-L698 HydrophobicContact CE1-CD1 3.84Å; Y679-L698 HydrophobicContact CE2-CB 4.44Å; Y679-L698 HydrophobicContact CE2-CD1 4.24Å; Y679-L698 HydrophobicContact CE2-CD2 4.14Å; Y679-L698 HydrophobicContact CG-CD1 3.98Å; L682-L698 HydrophobicContact CD2-CD1 4.2Å; L694-L698 HydrophobicContact CD1-CD1 4.28Å; L694-L698 HydrophobicContact CD1-CG 4.34Å; L694-L698 HydrophobicContact CG-CD1 3.99Å; L694-L698 HydrophobicContact CG-CG 4.47Å; L694-L698 WeakPolarHBondContact O-CB 3.38Å; L694-L698 WeakPolarHBondContact O-CG 3.44Å; L694-L698 PolarHBondContact O-N 3.28Å; S695-L698 PolarHBondContact O-N 3Å; H696-L698 PolarHBondContact O-N 3.04Å; L698-C700 PolarHBondContact O-N 3.49Å; L698-V701 HydrophobicContact CD2-CG2 4.3Å; L698-V701 WeakPolarHBondContact O-CB 3.15Å; L698-V701 WeakPolarHBondContact O-CG2 3.47Å; L698-V701 PolarHBondContact O-N 3.09Å
699R85.7Confident77.8Confident183 Ų18382.5 Ų82.569%0.69140%0.403SS*.Hα-helixtrans-66.8-24.8170.9-72.9173.2-172.3-1771.5113.2S695 H696 R697 V701S695-R699 VanDerWaalsContact O-CG 3.28Å; S695-R699 WeakPolarHBondContact O-CG 3.24Å; S695-R699 PolarHBondContact O-N 3.46Å; H696-R699 PolarHBondContact O-N 2.83Å; R697-R699 VanDerWaalsContact C-N 3.32Å; R697-R699 PolarHBondContact O-N 3.41Å; R699-V701 VanDerWaalsContact C-N 3.27Å
700C84Confident75.7Confident93 Ų9382.4 Ų82.463%0.62841%0.412SS*.THydrogen-bonded Turntrans-80.5-7175.2-610000113.3H696 R697 L698H696-C700 PolarHBondContact O-N 3.02Å; H696-C700 PolarHBondContact O-SG 3.05Å; R697-C700 WeakPolarHBondContact O-CB 3.34Å; R697-C700 PolarHBondContact O-N 3.22Å; R697-C700 VanDerWaalsContact O-N 3.12Å; L698-C700 PolarHBondContact O-N 3.49Å
701V82.7Confident73.8Confident29 Ų2989 Ų8918%0.17645%0.447CS..SBendtrans-66.8124.7177.1178.20000108.4L665 V668 I675 L698 R699L665-V701 HydrophobicContact CB-CG2 4.25Å; L665-V701 HydrophobicContact CD1-CG2 4.43Å; V668-V701 HydrophobicContact CG2-CG1 3.83Å; I675-V701 HydrophobicContact CD1-CG1 4.16Å; L698-V701 HydrophobicContact CD2-CG2 4.3Å; L698-V701 WeakPolarHBondContact O-CB 3.15Å; L698-V701 WeakPolarHBondContact O-CG2 3.47Å; L698-V701 PolarHBondContact O-N 3.09Å; R699-V701 VanDerWaalsContact C-N 3.27Å
702P73.5Confident71.9Confident33 Ų3390.6 Ų90.621%0.21446%0.455CS..PPolyproline II helixtrans-57.3141.2179.9-2332.9000111.1L666 P704 M707L666-P702 HydrophobicContact CD2-CG 3.96Å; P702-P704 WeakPolarHBondContact O-CD 2.98Å; P702-M707 HydrophobicContact CB-CG 3.62Å; P702-M707 HydrophobicContact CB-SD 3.67Å; P702-M707 HydrophobicContact CG-CG 4.43Å; P702-M707 HydrophobicContact CG-SD 3.82Å
703N67.9Low69.7Low78 Ų7890.5 Ų90.542%0.41747%0.466SS..PPolyproline II helixtrans-63.6123.8170.2-177.3-13.7000107.8E705 L706 M707N703-E705 PolarHBondContact O-N 3.48Å; N703-E705 PolarHBondContact OD1-N 2.86Å; N703-E705 VanDerWaalsContact OD1-N 3.09Å; N703-L706 HydrophobicContact CB-CB 4.29Å; N703-L706 HydrophobicContact CB-CD1 3.85Å; N703-L706 WeakPolarHBondContact O-CB 3.44Å; N703-L706 PolarHBondContact O-N 3.45Å; N703-M707 PolarHBondContact O-N 3.39Å
704P63.1Low67.5Low58 Ų5896.2 Ų96.238%0.37749%0.488SS..Hα-helixtrans-55.4-27.218017.1-29.2000113.1V668 P702 L706V668-P704 HydrophobicContact CB-CB 4.24Å; V668-P704 HydrophobicContact CG1-CB 3.92Å; V668-P704 HydrophobicContact CG1-CG 3.97Å; P702-P704 WeakPolarHBondContact O-CD 2.98Å; P704-L706 VanDerWaalsContact C-N 3.33Å; P704-L706 PolarHBondContact O-N 3.41Å
705E59.4Low65.4Low159 Ų159104.5 Ų104.574%0.74352%0.52SS*.Hα-helixtrans-70.2-26.2175.4-62-173.6161.300113.8N703N703-E705 PolarHBondContact O-N 3.48Å; N703-E705 PolarHBondContact OD1-N 2.86Å; N703-E705 VanDerWaalsContact OD1-N 3.09Å
706L53.8Low63.2Low147 Ų147108.1 Ų108.177%0.7754%0.537SS*.Hα-helixtrans-85.5-18.9179.8-91.6151.2000113.2N703 P704N703-L706 HydrophobicContact CB-CB 4.29Å; N703-L706 HydrophobicContact CB-CD1 3.85Å; N703-L706 WeakPolarHBondContact O-CB 3.44Å; N703-L706 PolarHBondContact O-N 3.45Å; P704-L706 VanDerWaalsContact C-N 3.33Å; P704-L706 PolarHBondContact O-N 3.41Å
707M56.1Low60.9Low103 Ų103108.8 Ų108.851%0.50754%0.544SS..Hα-helixtrans-95.2-5.2-179.6-70.7-132.16400114P702 N703 T709P702-M707 HydrophobicContact CB-CG 3.62Å; P702-M707 HydrophobicContact CB-SD 3.67Å; P702-M707 HydrophobicContact CG-CG 4.43Å; P702-M707 HydrophobicContact CG-SD 3.82Å; N703-M707 PolarHBondContact O-N 3.39Å; M707-T709 PolarHBondContact O-N 3.39Å
708R55.6Low58.6Low179 Ų179108.6 Ų108.668%0.67556%0.555SS**  trans-66.593170.7-102.1-178.8170.1166.9-2.9110.2
709T51.6Low56.5Low96 Ų96114.9 Ų114.959%0.58958%0.582SS**  trans-64.8135.3163.348.60000109.1M707 D711M707-T709 PolarHBondContact O-N 3.39Å; T709-D711 PolarHBondContact O-N 3.18Å
710V45.8Very low54.3Low143 Ų143113.3 Ų113.387%0.86758%0.581SS**THydrogen-bonded Turntrans-62.84.3-166.2-179.90000115.1
711D49.5Very low52.1Low140 Ų140116.3 Ų116.375%0.74959%0.585SS**THydrogen-bonded Turntrans-130.328.1-171.8-94-34.6000116.2T709T709-D711 PolarHBondContact O-N 3.18Å
712E49.3Very low49.9Very low88 Ų88117.8 Ų117.841%0.41160%0.601SS.*G310 helixtrans-89.5-5.8-179.9-70.4-161.7143.300115.9K714 Y715 M716E712-K714 PolarHBondContact O-N 3.08Å; E712-K714 VanDerWaalsContact O-N 3.14Å; E712-Y715 PolarHBondContact O-N 3.4Å; E712-Y715 VanDerWaalsContact O-N 3.16Å; E712-M716 PolarHBondContact O-N 3.24Å
713S46.8Very low48.1Very low105 Ų105119.4 Ų119.473%0.73462%0.617SS**G310 helixtrans-66.5-15.6179.859.60000114
714K44.1Very low46.4Very low186 Ų186120.2 Ų120.281%0.80963%0.628SS**G310 helixtrans-101.3-8.6174.4-76.4-178177.9174.60115E712E712-K714 PolarHBondContact O-N 3.08Å; E712-K714 VanDerWaalsContact O-N 3.14Å
715Y46Very low45Very low174 Ų174126.1 Ų126.168%0.68265%0.647SS**THydrogen-bonded Turntrans-98.3-15.1-179.4-120.8-89.6000113.6E712E712-Y715 PolarHBondContact O-N 3.4Å; E712-Y715 VanDerWaalsContact O-N 3.16Å
716M44.8Very low44Very low89 Ų89129.6 Ų129.644%0.43865%0.654SS.*Hα-helixtrans-71.3-26.2-177.2-80.5-70.8-169.100114.8E712 K720E712-M716 PolarHBondContact O-N 3.24Å; M716-K720 PolarHBondContact O-N 3.48Å
717D42Very low43.1Very low116 Ų116127.5 Ų127.562%0.6265%0.651SS**Hα-helixtrans-78.7-30.9178.8-79.2-24000112.8
718S43Very low42.1Very low78 Ų78127 Ų12755%0.54566%0.658SS.*Hα-helixtrans-73.3-34.3177.5-49.40000112.4A722S718-A722 PolarHBondContact O-N 3.47Å
719K41.3Very low41.3Very low135 Ų135126.2 Ų126.259%0.58766%0.662SS**Hα-helixtrans-76.7-29.3176.2-107.8-176.3-179.6178.60113.1Q721 A722 A723K719-Q721 VanDerWaalsContact C-N 3.29Å; K719-Q721 PolarHBondContact O-N 3.01Å; K719-A722 PolarHBondContact O-N 3.27Å; K719-A723 WeakPolarHBondContact O-CB 3.5Å; K719-A723 PolarHBondContact O-N 3.33Å
720K40.3Very low41.1Very low150 Ų150126.3 Ų126.365%0.65266%0.662SS**Hα-helixtrans-63.9-34172-84.8178.6178.1172.90112.2M716 C724M716-K720 PolarHBondContact O-N 3.48Å; K720-C724 WeakPolarHBondContact O-CB 3.26Å; K720-C724 PolarHBondContact O-N 2.96Å
721Q36.7Very low41.8Very low156 Ų156128.5 Ų128.573%0.72966%0.663SS**Hα-helixtrans-78.1-28.4174.2-75.1-178.74.600113.8K719K719-Q721 VanDerWaalsContact C-N 3.29Å; K719-Q721 PolarHBondContact O-N 3.01Å
722A37.1Very low43Very low61 Ų61122.8 Ų122.850%0.50463%0.633SS.*Hα-helixtrans-79.9-33.8173.800000113.4S718 K719 C724 K725S718-A722 PolarHBondContact O-N 3.47Å; K719-A722 PolarHBondContact O-N 3.27Å; A722-C724 VanDerWaalsContact C-N 3.31Å; A722-K725 PolarHBondContact O-N 3.49Å
723A36.1Very low44.7Very low67 Ų67123.1 Ų123.155%0.55464%0.638SS**Hα-helixtrans-68.7-31.1173.100000112K719 K725 R726K719-A723 WeakPolarHBondContact O-CB 3.5Å; K719-A723 PolarHBondContact O-N 3.33Å; A723-K725 PolarHBondContact O-N 3.26Å; A723-R726 PolarHBondContact O-N 2.93Å
724C32.4Very low46.5Very low94 Ų94121.4 Ų121.464%0.63562%0.616SS**THydrogen-bonded Turntrans-69.8-9.2175.1-152.20000113.6K720 A722K720-C724 WeakPolarHBondContact O-CB 3.26Å; K720-C724 PolarHBondContact O-N 2.96Å; A722-C724 VanDerWaalsContact C-N 3.31Å
725K34.3Very low48.5Very low183 Ų183119 Ų11980%0.79661%0.609SS**THydrogen-bonded Turntrans-100.31.9174.3-79.2-174.3175.9-179.50114.7A722 A723A722-K725 PolarHBondContact O-N 3.49Å; A723-K725 PolarHBondContact O-N 3.26Å
726R36.6Very low50.6Low231 Ų231113.1 Ų113.187%0.87259%0.588SS**SBendtrans-93.42.9175.6-83.1-175.7175.7174.6-2.5114.7A723A723-R726 PolarHBondContact O-N 2.93Å
727S36.3Very low52.8Low103 Ų103108.9 Ų108.972%0.7257%0.567SS**  trans-105.748.5-172.372.10000114.7
728S34.3Very low55Low92 Ų92104.6 Ų104.664%0.64354%0.544SS*.  trans-138.538.4173.9630000114.8
729H38.5Very low57.2Low163 Ų163106.3 Ų106.376%0.75554%0.543SS*.SBendtrans-131.4130.3164.3-69.6-65.4000110.6
730T47.4Very low59.6Low99 Ų99101.4 Ų101.461%0.60752%0.522SS*.  trans-17114.3-174.6-15.40000116.4V732T730-V732 PolarHBondContact O-N 3.44Å
731Q61Low62Low189 Ų18994.3 Ų94.388%0.88349%0.492SS*.  trans-78.5109.6-170.5-157.6171.214.300111.1D733Q731-D733 PolarHBondContact O-N 3.32Å
732V75.8Confident64.5Low19 Ų1990 Ų9012%0.11547%0.473CS..  trans-58126.8169.9173.70000109.3C596 F599 T730 Y734 L737C596-V732 HydrophobicContact CB-CG2 4.13Å; F599-V732 HydrophobicContact CD1-CG1 4.29Å; F599-V732 HydrophobicContact CE1-CG1 4.09Å; T730-V732 PolarHBondContact O-N 3.44Å; V732-Y734 HydrophobicContact CB-CD2 4.42Å; V732-Y734 HydrophobicContact CB-CE1 4.38Å; V732-Y734 HydrophobicContact CB-CE2 3.86Å; V732-Y734 HydrophobicContact CG1-CD1 4.14Å; V732-Y734 HydrophobicContact CG1-CD2 4.38Å; V732-Y734 HydrophobicContact CG1-CE1 3.83Å; V732-Y734 HydrophobicContact CG1-CE2 4.1Å; V732-Y734 HydrophobicContact CG1-CG 4.41Å; V732-Y734 WeakPolarHBondContact O-CD2 3.47Å; V732-Y734 WeakPolarHBondContact O-CE2 3.47Å; V732-Y734 PolarHBondContact O-N 3.21Å; V732-Y734 VanDerWaalsContact O-N 3.07Å; V732-L737 HydrophobicContact CG1-CD1 3.79Å
733D84.2Confident67Low96 Ų9693.6 Ų93.651%0.51347%0.474SS..  trans-81.186.2177.6-170.9-14.2000110.8Q731 M735 E736 L737Q731-D733 PolarHBondContact O-N 3.32Å; D733-M735 PolarHBondContact O-N 2.98Å; D733-M735 WeakPolarHBondContact OD1-CB 3.46Å; D733-M735 PolarHBondContact OD1-N 3.5Å; D733-E736 HydrophobicContact CB-CB 4.07Å; D733-E736 PolarHBondContact O-N 3.37Å; D733-E736 PolarHBondContact OD1-N 3.29Å; D733-L737 WeakPolarHBondContact O-CG 3.26Å; D733-L737 PolarHBondContact O-N 3.15Å
734Y85.3Confident69.6Low69 Ų6991 Ų9127%0.27145%0.451SS..Hα-helixtrans-63.5-23.4178.1-65.4-75.7000113.3F599 N622 H625 V732 L738F599-Y734 HydrophobicContact CE1-CE1 4.01Å; F599-Y734 HydrophobicContact CZ-CE1 4.34Å; N622-Y734 HydrophobicContact CB-CE1 4.36Å; N622-Y734 VanDerWaalsContact CG-OH 3.27Å; N622-Y734 PolarHBondContact ND2-OH 3.08Å; N622-Y734 VanDerWaalsContact ND2-OH 3.09Å; N622-Y734 PolarHBondContact OD1-OH 3.34Å; N622-Y734 VanDerWaalsContact OD1-OH 3.07Å; H625-Y734 HydrophobicContact CB-CD1 3.94Å; H625-Y734 HydrophobicContact CB-CE1 4.41Å; H625-Y734 AromaticContact CD2-CD1 3.76Å; H625-Y734 PolarHBondContact CE1-O 3.18Å; H625-Y734 VanDerWaalsContact CE1-O 3.22Å; H625-Y734 AromaticContact CG-CD1 3.63Å; H625-Y734 AromaticContact ND1-CD1 3.92Å; V732-Y734 HydrophobicContact CB-CD2 4.42Å; V732-Y734 HydrophobicContact CB-CE1 4.38Å; V732-Y734 HydrophobicContact CB-CE2 3.86Å; V732-Y734 HydrophobicContact CG1-CD1 4.14Å; V732-Y734 HydrophobicContact CG1-CD2 4.38Å; V732-Y734 HydrophobicContact CG1-CE1 3.83Å; V732-Y734 HydrophobicContact CG1-CE2 4.1Å; V732-Y734 HydrophobicContact CG1-CG 4.41Å; V732-Y734 WeakPolarHBondContact O-CD2 3.47Å; V732-Y734 WeakPolarHBondContact O-CE2 3.47Å; V732-Y734 PolarHBondContact O-N 3.21Å; V732-Y734 VanDerWaalsContact O-N 3.07Å; Y734-L738 WeakPolarHBondContact O-CB 3.42Å; Y734-L738 PolarHBondContact O-N 3.03Å
735M84.8Confident72.3Confident135 Ų13587.6 Ų87.667%0.66543%0.426SS*.Hα-helixtrans-74.1-41.9176.9-68.9-152.678.400111.5D733 L737 L738 Q739D733-M735 PolarHBondContact O-N 2.98Å; D733-M735 WeakPolarHBondContact OD1-CB 3.46Å; D733-M735 PolarHBondContact OD1-N 3.5Å; M735-L737 VanDerWaalsContact C-N 3.33Å; M735-L738 PolarHBondContact O-N 2.94Å; M735-Q739 WeakPolarHBondContact O-CG 3.31Å; M735-Q739 PolarHBondContact O-N 3.35Å
736E90.8Very high74.8Confident50 Ų5081.8 Ų81.823%0.23441%0.408CS..Hα-helixtrans-59-46.6173.2-172.1-86.7142.600111.1R604 D733 L738 Q739 H740 R743R604-E736 IonicContact CZ-OE2 3.68Å; R604-E736 IonicContact NE-OE1 3.9Å; R604-E736 IonicContact NE-OE2 3.98Å; R604-E736 IonicContact NH2-OE1 2.95Å; R604-E736 IonicContact NH2-OE2 3.28Å; R604-E736 PolarHBondContact NH2-OE2 2.53Å; D733-E736 HydrophobicContact CB-CB 4.07Å; D733-E736 PolarHBondContact O-N 3.37Å; D733-E736 PolarHBondContact OD1-N 3.29Å; E736-L738 VanDerWaalsContact C-N 3.31Å; E736-L738 PolarHBondContact O-N 3.47Å; E736-Q739 PolarHBondContact O-N 2.79Å; E736-H740 PolarHBondContact O-N 3.12Å; E736-R743 IonicContact OE1-NH2 3.94Å
737L90.2Very high77.2Confident1 Ų176.8 Ų76.81%0.00539%0.393CS..Hα-helixtrans-60.1-40.9177.1-68.4-176.8000111.8F599 Y603 R604 V732 D733 M735 H740 F741F599-L737 HydrophobicContact CE1-CD1 3.94Å; Y603-L737 HydrophobicContact CD1-CB 3.85Å; Y603-L737 HydrophobicContact CD1-CD1 4.13Å; Y603-L737 HydrophobicContact CD1-CD2 3.7Å; Y603-L737 HydrophobicContact CD1-CG 4.09Å; Y603-L737 HydrophobicContact CD2-CD1 4.43Å; Y603-L737 HydrophobicContact CE1-CB 3.55Å; Y603-L737 HydrophobicContact CE1-CD1 4.5Å; Y603-L737 HydrophobicContact CE1-CD2 4.27Å; Y603-L737 HydrophobicContact CE1-CG 4.31Å; Y603-L737 WeakPolarHBondContact CE1-O 3.25Å; Y603-L737 HydrophobicContact CG-CD1 4.1Å; Y603-L737 HydrophobicContact CG-CD2 4.28Å; R604-L737 HydrophobicContact CG-CD2 4.06Å; V732-L737 HydrophobicContact CG1-CD1 3.79Å; D733-L737 WeakPolarHBondContact O-CG 3.26Å; D733-L737 PolarHBondContact O-N 3.15Å; M735-L737 VanDerWaalsContact C-N 3.33Å; L737-H740 WeakPolarHBondContact O-CB 3.3Å; L737-H740 PolarHBondContact O-N 3.21Å; L737-F741 PolarHBondContact O-N 2.71Å
738L88.9Confident79.6Confident26 Ų2673.5 Ų73.514%0.13637%0.366CS..Hα-helixtrans-68.2-36.3178-163.566.1000112.7D628 L629 K632 Y734 M735 E736 F741 D742D628-L738 HydrophobicContact CB-CD2 4.49Å; L629-L738 HydrophobicContact CD2-CD1 3.75Å; L629-L738 HydrophobicContact CG-CD1 4.14Å; K632-L738 HydrophobicContact CD-CD1 4.06Å; K632-L738 HydrophobicContact CD-CG 4.42Å; Y734-L738 WeakPolarHBondContact O-CB 3.42Å; Y734-L738 PolarHBondContact O-N 3.03Å; M735-L738 PolarHBondContact O-N 2.94Å; E736-L738 VanDerWaalsContact C-N 3.31Å; E736-L738 PolarHBondContact O-N 3.47Å; L738-F741 PolarHBondContact O-N 2.79Å; L738-D742 PolarHBondContact O-N 3.15Å
739Q89.6Confident82Confident114 Ų11472.7 Ų72.753%0.53335%0.354SS..Hα-helixtrans-69.1-37.1173-71.1176.57.500111.6M735 E736 D742 R743M735-Q739 WeakPolarHBondContact O-CG 3.31Å; M735-Q739 PolarHBondContact O-N 3.35Å; E736-Q739 PolarHBondContact O-N 2.79Å; Q739-D742 PolarHBondContact O-N 3.26Å; Q739-R743 WeakPolarHBondContact O-CG 3.33Å; Q739-R743 PolarHBondContact O-N 3.01Å; Q739-R743 VanDerWaalsContact O-N 3.13Å; Q739-R743 PolarHBondContact O-NE 2.83Å
740H90.5Very high84.2Confident32 Ų3270.3 Ų70.315%0.14834%0.343CS..Hα-helixtrans-62.3-44.7172.7-175.773.4000111.6R604 E736 L737 D742 R743 V744R604-H740 PolarHBondContact O-NE2 2.94Å; E736-H740 PolarHBondContact O-N 3.12Å; L737-H740 WeakPolarHBondContact O-CB 3.3Å; L737-H740 PolarHBondContact O-N 3.21Å; H740-D742 PolarHBondContact O-N 3.28Å; H740-R743 PolarHBondContact O-N 3.09Å; H740-V744 WeakPolarHBondContact O-CG2 3.42Å; H740-V744 PolarHBondContact O-N 2.8Å
741F91.3Very high86Confident1 Ų167.7 Ų67.70%0.00433%0.327CS..Hα-helixtrans-54.1-49.9174.7177.7-93.9000112C607 P610 T613 L629 K632 F633 L636 L737 L738 R743 V744 Q745C607-F741 HydrophobicContact CB-CD2 4.22Å; P610-F741 HydrophobicContact CB-CE2 4.07Å; P610-F741 HydrophobicContact CB-CZ 3.95Å; T613-F741 HydrophobicContact CG2-CD2 4.34Å; L629-F741 HydrophobicContact CD2-CB 4.19Å; L629-F741 HydrophobicContact CD2-CD1 3.69Å; L629-F741 HydrophobicContact CD2-CD2 3.7Å; L629-F741 HydrophobicContact CD2-CE1 3.91Å; L629-F741 HydrophobicContact CD2-CE2 3.93Å; L629-F741 HydrophobicContact CD2-CG 3.57Å; L629-F741 HydrophobicContact CD2-CZ 4.03Å; K632-F741 HydrophobicContact CB-CE1 4.39Å; K632-F741 HydrophobicContact CD-CD1 4.39Å; F633-F741 HydrophobicContact CE1-CZ 4.08Å; L636-F741 HydrophobicContact CD1-CZ 4.38Å; L737-F741 PolarHBondContact O-N 2.71Å; L738-F741 PolarHBondContact O-N 2.79Å; F741-R743 PolarHBondContact O-N 3.45Å; F741-V744 PolarHBondContact O-N 3.46Å; F741-Q745 HydrophobicContact CD1-CG 4.2Å; F741-Q745 HydrophobicContact CD2-CG 4.33Å; F741-Q745 HydrophobicContact CE1-CG 3.8Å; F741-Q745 HydrophobicContact CE2-CG 3.93Å; F741-Q745 HydrophobicContact CG-CG 4.46Å; F741-Q745 HydrophobicContact CZ-CG 3.66Å; F741-Q745 WeakPolarHBondContact O-CG 3.46Å; F741-Q745 PolarHBondContact O-N 3.33Å
742D89.7Confident86.9Confident64 Ų6464.5 Ų64.534%0.34231%0.307SS..Hα-helixtrans-57.7-48.2177.8-69.6-16.9000111.7K632 L738 Q739 H740 V744 Q745 S746K632-D742 WeakPolarHBondContact CD-OD1 3.42Å; K632-D742 IonicContact NZ-OD1 2.89Å; K632-D742 PolarHBondContact NZ-OD1 3.24Å; K632-D742 IonicContact NZ-OD2 3.62Å; K632-D742 PolarHBondContact NZ-OD2 3.47Å; L738-D742 PolarHBondContact O-N 3.15Å; Q739-D742 PolarHBondContact O-N 3.26Å; H740-D742 PolarHBondContact O-N 3.28Å; D742-V744 VanDerWaalsContact C-N 3.31Å; D742-V744 PolarHBondContact O-N 3.46Å; D742-Q745 PolarHBondContact O-N 2.9Å; D742-S746 WeakPolarHBondContact O-CB 3.35Å; D742-S746 PolarHBondContact O-N 3.37Å; D742-S746 PolarHBondContact O-OG 3.43Å; D742-S746 VanDerWaalsContact O-OG 3.07Å
743R89.8Confident87.1Confident138 Ų13868.8 Ų68.852%0.52133%0.326SS..Hα-helixtrans-58.8-42.2179.9-72.6-178-65.8-176.81.9112E736 Q739 H740 F741 K747E736-R743 IonicContact OE1-NH2 3.94Å; Q739-R743 WeakPolarHBondContact O-CG 3.33Å; Q739-R743 PolarHBondContact O-N 3.01Å; Q739-R743 VanDerWaalsContact O-N 3.13Å; Q739-R743 PolarHBondContact O-NE 2.83Å; H740-R743 PolarHBondContact O-N 3.09Å; F741-R743 PolarHBondContact O-N 3.45Å; R743-K747 WeakPolarHBondContact O-CG 3.37Å; R743-K747 PolarHBondContact O-N 2.89Å
744V89.7Confident86.8Confident11 Ų1169.3 Ų69.37%0.06733%0.325CS..Hα-helixtrans-69-44.3179.21750000110.8C607 H740 F741 D742 K747 H748C607-V744 HydrophobicContact CB-CB 4.12Å; C607-V744 HydrophobicContact CB-CG1 4.17Å; C607-V744 HydrophobicContact CB-CG2 4.2Å; C607-V744 WeakPolarHBondContact O-CG1 3.47Å; H740-V744 WeakPolarHBondContact O-CG2 3.42Å; H740-V744 PolarHBondContact O-N 2.8Å; F741-V744 PolarHBondContact O-N 3.46Å; D742-V744 VanDerWaalsContact C-N 3.31Å; D742-V744 PolarHBondContact O-N 3.46Å; V744-K747 WeakPolarHBondContact O-CB 3.45Å; V744-K747 PolarHBondContact O-N 2.97Å; V744-H748 PolarHBondContact O-CD2 2.94Å; V744-H748 PolarHBondContact O-N 3.37Å; V744-H748 VanDerWaalsContact O-N 3.11Å
745Q89.8Confident86.2Confident24 Ų2472.1 Ų72.111%0.11234%0.335CS..Hα-helixtrans-66.2-38.9179.2-68.5-60.3-52.700112.5C607 L636 F741 D742 K747 H748 L749C607-Q745 PolarHBondContact O-NE2 2.88Å; L636-Q745 HydrophobicContact CD2-CB 3.92Å; L636-Q745 HydrophobicContact CD2-CG 4.13Å; F741-Q745 HydrophobicContact CD1-CG 4.2Å; F741-Q745 HydrophobicContact CD2-CG 4.33Å; F741-Q745 HydrophobicContact CE1-CG 3.8Å; F741-Q745 HydrophobicContact CE2-CG 3.93Å; F741-Q745 HydrophobicContact CG-CG 4.46Å; F741-Q745 HydrophobicContact CZ-CG 3.66Å; F741-Q745 WeakPolarHBondContact O-CG 3.46Å; F741-Q745 PolarHBondContact O-N 3.33Å; D742-Q745 PolarHBondContact O-N 2.9Å; Q745-K747 VanDerWaalsContact C-N 3.35Å; Q745-K747 PolarHBondContact O-N 3.31Å; Q745-H748 WeakPolarHBondContact O-CB 3.3Å; Q745-H748 PolarHBondContact O-N 3.5Å; Q745-L749 PolarHBondContact O-N 3.06Å
746S87.1Confident85.4Confident61 Ų6169.6 Ų69.643%0.42733%0.33SS..Hα-helixtrans-60.4-42.2172.9-62.90000112.1D742 H748 L749 E750D742-S746 WeakPolarHBondContact O-CB 3.35Å; D742-S746 PolarHBondContact O-N 3.37Å; D742-S746 PolarHBondContact O-OG 3.43Å; D742-S746 VanDerWaalsContact O-OG 3.07Å; S746-H748 PolarHBondContact O-N 2.87Å; S746-L749 WeakPolarHBondContact O-CB 3.43Å; S746-L749 PolarHBondContact O-N 3.25Å; S746-E750 WeakPolarHBondContact O-CG 3.31Å; S746-E750 PolarHBondContact O-N 2.96Å
747K87.3Confident84.2Confident125 Ų12569.6 Ų69.654%0.54334%0.339SS..Hα-helixtrans-61.2-41.4174.9-74.3176.8178.7-174.40112.6L560 R743 V744 Q745 L749 E750 V751L560-K747 HydrophobicContact CD1-CB 4.26Å; R743-K747 WeakPolarHBondContact O-CG 3.37Å; R743-K747 PolarHBondContact O-N 2.89Å; V744-K747 WeakPolarHBondContact O-CB 3.45Å; V744-K747 PolarHBondContact O-N 2.97Å; Q745-K747 VanDerWaalsContact C-N 3.35Å; Q745-K747 PolarHBondContact O-N 3.31Å; K747-L749 VanDerWaalsContact C-N 3.34Å; K747-E750 PolarHBondContact O-N 3.14Å; K747-V751 WeakPolarHBondContact O-CG2 3.35Å; K747-V751 PolarHBondContact O-N 2.96Å
748H86.3Confident82.9Confident35 Ų3578.6 Ų78.616%0.16237%0.373CS..Hα-helixtrans-62-42.2175.3-89.2-89.4000112.1L560 H608 V744 Q745 S746 R752L560-H748 PolarHBondContact O-CE1 3.02Å; H608-H748 AromaticContact CG-NE2 3.88Å; H608-H748 AromaticContact ND1-NE2 3.27Å; H608-H748 PolarHBondContact ND1-NE2 2.59Å; H608-H748 PolarHBondContact O-NE2 3.03Å; V744-H748 PolarHBondContact O-CD2 2.94Å; V744-H748 PolarHBondContact O-N 3.37Å; V744-H748 VanDerWaalsContact O-N 3.11Å; Q745-H748 WeakPolarHBondContact O-CB 3.3Å; Q745-H748 PolarHBondContact O-N 3.5Å; S746-H748 PolarHBondContact O-N 2.87Å; H748-R752 VanDerWaalsContact O-CB 3.31Å; H748-R752 WeakPolarHBondContact O-CB 3.41Å; H748-R752 PolarHBondContact O-N 3.34Å
749L84.8Confident81.4Confident74 Ų7480.4 Ų80.439%0.38739%0.392SS..Hα-helixtrans-62.5-46.6176.6-172.667.9000111.4Q745 S746 K747 R752 H753Q745-L749 PolarHBondContact O-N 3.06Å; S746-L749 WeakPolarHBondContact O-CB 3.43Å; S746-L749 PolarHBondContact O-N 3.25Å; K747-L749 VanDerWaalsContact C-N 3.34Å; L749-R752 PolarHBondContact O-N 3.46Å; L749-H753 WeakPolarHBondContact CD1-NE2 3.47Å; L749-H753 PolarHBondContact O-CD2 3.31Å; L749-H753 PolarHBondContact O-N 3.16Å
750E85Confident79.7Confident114 Ų11477.9 Ų77.953%0.53339%0.387SS..Hα-helixtrans-58.8-49.1176.9-73.9172.2-167.100112.2S746 K747 R752 H753 Q754S746-E750 WeakPolarHBondContact O-CG 3.31Å; S746-E750 PolarHBondContact O-N 2.96Å; K747-E750 PolarHBondContact O-N 3.14Å; E750-R752 VanDerWaalsContact C-N 3.29Å; E750-R752 PolarHBondContact O-N 2.97Å; E750-H753 PolarHBondContact O-N 3.39Å; E750-Q754 WeakPolarHBondContact O-CB 3.27Å; E750-Q754 VanDerWaalsContact O-CG 3.28Å; E750-Q754 WeakPolarHBondContact O-CG 3.5Å; E750-Q754 PolarHBondContact O-N 2.7Å
751V84Confident77.9Confident44 Ų4481.7 Ų81.727%0.26741%0.408SS..Hα-helixtrans-63.4-37.2179.6170.60000111.4L560 K747 Q754 R755L560-V751 HydrophobicContact CD1-CB 4.22Å; L560-V751 HydrophobicContact CD1-CG2 3.78Å; K747-V751 WeakPolarHBondContact O-CG2 3.35Å; K747-V751 PolarHBondContact O-N 2.96Å; V751-Q754 PolarHBondContact O-N 2.84Å; V751-R755 WeakPolarHBondContact O-CG 3.34Å; V751-R755 PolarHBondContact O-N 2.97Å
752R80.7Confident75.9Confident121 Ų12187.9 Ų87.946%0.45744%0.437SS..Hα-helixtrans-68-43177.3-170.8174.6168.51042.1111.6E637 T639 H748 L749 E750 R755 S756E637-R752 IonicContact OE1-CZ 3.63Å; E637-R752 IonicContact OE1-NE 3.09Å; E637-R752 PolarHBondContact OE1-NE 3.38Å; E637-R752 IonicContact OE1-NH2 2.82Å; E637-R752 PolarHBondContact OE1-NH2 2.88Å; E637-R752 WeakPolarHBondContact OE2-CD 3.37Å; E637-R752 IonicContact OE2-CZ 2.73Å; E637-R752 IonicContact OE2-NE 2.88Å; E637-R752 PolarHBondContact OE2-NE 3.05Å; E637-R752 IonicContact OE2-NH2 3.66Å; T639-R752 VanDerWaalsContact CG2-NH2 3.27Å; H748-R752 VanDerWaalsContact O-CB 3.31Å; H748-R752 WeakPolarHBondContact O-CB 3.41Å; H748-R752 PolarHBondContact O-N 3.34Å; L749-R752 PolarHBondContact O-N 3.46Å; E750-R752 VanDerWaalsContact C-N 3.29Å; E750-R752 PolarHBondContact O-N 2.97Å; R752-R755 PolarHBondContact O-N 3.26Å; R752-S756 PolarHBondContact O-N 3.47Å
753H80.6Confident73.8Confident110 Ų11091.1 Ų91.151%0.50945%0.45SS..Hα-helixtrans-64.2-41.1173.7-75.4-54.6000112.6L749 E750 R755 S756 A757L749-H753 WeakPolarHBondContact CD1-NE2 3.47Å; L749-H753 PolarHBondContact O-CD2 3.31Å; L749-H753 PolarHBondContact O-N 3.16Å; E750-H753 PolarHBondContact O-N 3.39Å; H753-R755 VanDerWaalsContact C-N 3.34Å; H753-R755 PolarHBondContact O-N 3.14Å; H753-S756 PolarHBondContact O-N 3.37Å; H753-A757 WeakPolarHBondContact O-CB 3.47Å; H753-A757 PolarHBondContact O-N 2.89Å
754Q77.7Confident71.9Confident107 Ų10789.6 Ų89.650%0.545%0.452SS..Hα-helixtrans-62.5-38.7175-72.3173.919.500112.4E750 V751 R758E750-Q754 WeakPolarHBondContact O-CB 3.27Å; E750-Q754 VanDerWaalsContact O-CG 3.28Å; E750-Q754 WeakPolarHBondContact O-CG 3.5Å; E750-Q754 PolarHBondContact O-N 2.7Å; V751-Q754 PolarHBondContact O-N 2.84Å; Q754-R758 WeakPolarHBondContact O-CB 3.41Å; Q754-R758 WeakPolarHBondContact O-CG 3.41Å; Q754-R758 PolarHBondContact O-N 3.4Å
755R72Confident69.9Low128 Ų12899 Ų9948%0.48349%0.486SS..Hα-helixtrans-67.6-40.7174.8-75.3177.7179.4177.71.2112D559 V751 R752 H753 R758 A759D559-R755 IonicContact OD1-NH2 2.9Å; D559-R755 PolarHBondContact OD1-NH2 3.26Å; V751-R755 WeakPolarHBondContact O-CG 3.34Å; V751-R755 PolarHBondContact O-N 2.97Å; R752-R755 PolarHBondContact O-N 3.26Å; H753-R755 VanDerWaalsContact C-N 3.34Å; H753-R755 PolarHBondContact O-N 3.14Å; R755-R758 PolarHBondContact O-N 3.06Å; R755-A759 WeakPolarHBondContact O-CB 3.47Å; R755-A759 PolarHBondContact O-N 3.3Å
756S67.8Low67.8Low81 Ų81106 Ų10657%0.56652%0.517SS*.Hα-helixtrans-64.2-44.7176.3-165.10000111.8R752 H753 R758 A759 S760R752-S756 PolarHBondContact O-N 3.47Å; H753-S756 PolarHBondContact O-N 3.37Å; S756-R758 PolarHBondContact O-N 3.24Å; S756-A759 PolarHBondContact O-N 3.16Å; S756-S760 PolarHBondContact O-N 3.26Å; S756-S760 PolarHBondContact O-OG 2.92Å
757A66.2Low65.9Low51 Ų51109.8 Ų109.842%0.42153%0.531SS..Hα-helixtrans-64.4-38.4177.100000113.2H753 A759 S760 D761H753-A757 WeakPolarHBondContact O-CB 3.47Å; H753-A757 PolarHBondContact O-N 2.89Å; A757-A759 VanDerWaalsContact C-N 3.33Å; A757-S760 WeakPolarHBondContact CA-OG 2.99Å; A757-S760 PolarHBondContact O-N 3.03Å; A757-S760 PolarHBondContact O-OG 3.32Å; A757-D761 PolarHBondContact O-N 3.21Å; A757-D761 VanDerWaalsContact O-N 3.13Å
758R62.3Low63.5Low189 Ų189114.7 Ų114.771%0.71356%0.559SS**Hα-helixtrans-68.8-30.7173.6-75.4179.5-179.2179.93112.9Q754 R755 S756 H762Q754-R758 WeakPolarHBondContact O-CB 3.41Å; Q754-R758 WeakPolarHBondContact O-CG 3.41Å; Q754-R758 PolarHBondContact O-N 3.4Å; R755-R758 PolarHBondContact O-N 3.06Å; S756-R758 PolarHBondContact O-N 3.24Å; R758-H762 PolarHBondContact O-N 3.39Å
759A57.9Low62.4Low64 Ų64118.7 Ų118.753%0.52958%0.579SS.*Hα-helixtrans-73.5-35.5176.700000112.2R755 S756 A757 H763R755-A759 WeakPolarHBondContact O-CB 3.47Å; R755-A759 PolarHBondContact O-N 3.3Å; S756-A759 PolarHBondContact O-N 3.16Å; A757-A759 VanDerWaalsContact C-N 3.33Å; A759-H763 PolarHBondContact O-N 3.37Å
760S54.4Low61.2Low62 Ų62121.1 Ų121.143%0.43459%0.589SS.*Hα-helixtrans-68.6-43.2173.448.70000112.7S756 A757 H762 H763 D764S756-S760 PolarHBondContact O-N 3.26Å; S756-S760 PolarHBondContact O-OG 2.92Å; A757-S760 WeakPolarHBondContact CA-OG 2.99Å; A757-S760 PolarHBondContact O-N 3.03Å; A757-S760 PolarHBondContact O-OG 3.32Å; S760-H762 PolarHBondContact O-N 3.48Å; S760-H763 PolarHBondContact O-N 3.41Å; S760-H763 VanDerWaalsContact O-N 3.08Å; S760-D764 PolarHBondContact O-N 2.87Å
761D52.7Low59.9Low111 Ų111121.4 Ų121.459%0.59459%0.592SS**Hα-helixtrans-62-28.8176.9-89.6-7000113.3A757 R765A757-D761 PolarHBondContact O-N 3.21Å; A757-D761 VanDerWaalsContact O-N 3.13Å; D761-R765 PolarHBondContact O-N 2.79Å
762H47.6Very low58.5Low132 Ų132126 Ų12661%0.61161%0.611SS**Hα-helixtrans-81.5-20.9178.3-14429.5000113.2R758 S760R758-H762 PolarHBondContact O-N 3.39Å; S760-H762 PolarHBondContact O-N 3.48Å
763H46.5Very low57.1Low132 Ų132126.3 Ų126.361%0.61162%0.62SS**Hα-helixtrans-76.9-39.8171.9-133.657.9000111A759 S760 R765 K766A759-H763 PolarHBondContact O-N 3.37Å; S760-H763 PolarHBondContact O-N 3.41Å; S760-H763 VanDerWaalsContact O-N 3.08Å; H763-R765 VanDerWaalsContact C-N 3.33Å; H763-R765 PolarHBondContact O-N 3.4Å; H763-K766 PolarHBondContact O-N 3.01Å
764D49.3Very low55.5Low106 Ų106127.4 Ų127.457%0.56763%0.628SS**Hα-helixtrans-69.6-27.4178.4-73.2-20.5000113.2S760S760-D764 PolarHBondContact O-N 2.87Å
765R49.2Very low54Low208 Ų208128.9 Ų128.979%0.78564%0.637SS**THydrogen-bonded Turntrans-79.3-9.4172.6-83.5-173.7177.9179.11.3115.6D761 H763D761-R765 PolarHBondContact O-N 2.79Å; H763-R765 VanDerWaalsContact C-N 3.33Å; H763-R765 PolarHBondContact O-N 3.4Å
766K45Very low52.6Low172 Ų172128.9 Ų128.975%0.74865%0.649SS**THydrogen-bonded Turntrans-96.8-5.6172.5-88.5-174.9175.4-179.40112.9H763H763-K766 PolarHBondContact O-N 3.01Å
767L45.9Very low51.3Low139 Ų139132.9 Ų132.973%0.72866%0.656SS**  trans-107.74.7177.8-81.6157.1000113.1
768M38.8Very low50Low229 Ų229140.4 Ų140.4100%1.12868%0.677SS**  trans-109.90158.6-70.8-163.7177.500109

Retrieved 768 of 768 residues in 853.3 ms (Link to these results)

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