A0A2K5XZ59_MANLE Loading...

Trafficking protein particle complex subunit

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A2K5XZ59, Species MANLE (Mandrillus leucophaeus, Drill), Gene TRAPPC3L, Length 181 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
1M40.5Very low51.9Low244 Ų244165.2 Ų165.2100%1.20281%0.806SS**  0101.30-65.8-167.4-171.500108.2
2S51.8Low53.6Low123 Ų123166 Ų16686%0.8681%0.807SS**PPolyproline II helixtrans-73.7124.9179.3-53.50000108.8
3R46.9Very low55.6Low236 Ų236168.1 Ų168.189%0.89181%0.809SS**PPolyproline II helixtrans-53.1134.8173-78.4177.7166.7-178.9-4.7108.9A5R3-A5 PolarHBondContact O-N 3.07Å
4P45Very low57.6Low126 Ų126164.7 Ų164.782%0.81880%0.796SS**PPolyproline II helixtrans-61.1128.8173.724.6-29.6000108.3H6P4-H6 PolarHBondContact O-N 2.88Å; P4-H6 VanDerWaalsContact O-N 3.13Å
5A54Low59.6Low94 Ų94160.5 Ų160.578%0.77778%0.779SS**PPolyproline II helixtrans-56.1119.7170.200000107.5R3 R7R3-A5 PolarHBondContact O-N 3.07Å; A5-R7 PolarHBondContact O-N 3.01Å
6H48.7Very low61.3Low187 Ų187155.9 Ų155.987%0.86675%0.754SS**  trans-56.7103.8174.9-124-46.1000107.3P4 R8P4-H6 PolarHBondContact O-N 2.88Å; P4-H6 VanDerWaalsContact O-N 3.13Å; H6-R8 PolarHBondContact O-N 3.19Å
7R50.7Low63Low233 Ų233150.5 Ų150.588%0.87973%0.729SS**  trans-58.1111.6167.2-110.7-177.5-173.4177.62.2105.5A5 P9A5-R7 PolarHBondContact O-N 3.01Å; R7-P9 WeakPolarHBondContact O-CD 3.43Å
8R55.9Low64.6Low180 Ų180147.7 Ų147.768%0.67972%0.718SS**PPolyproline II helixtrans-60.3126.5171.5-67.2-177.7-176.9-179.71.3106.3H6 E10 C64H6-R8 PolarHBondContact O-N 3.19Å; R8-E10 PolarHBondContact O-N 2.95Å; R8-C64 PolarHBondContact NH2-SG 2.78Å
9P55.3Low66.1Low80 Ų80145.1 Ų145.152%0.51970%0.703SS.*PPolyproline II helixtrans-55.7127.2174.216.9-26.4000109.2R7 Y11R7-P9 WeakPolarHBondContact O-CD 3.43Å; P9-Y11 HydrophobicContact CB-CE2 4.21Å; P9-Y11 HydrophobicContact CG-CE1 4.5Å; P9-Y11 HydrophobicContact CG-CE2 3.74Å; P9-Y11 WeakPolarHBondContact CG-OH 3.35Å; P9-Y11 WeakPolarHBondContact O-CD2 3.41Å; P9-Y11 WeakPolarHBondContact O-CE2 3.5Å; P9-Y11 PolarHBondContact O-N 3.32Å
10E57.8Low67.4Low196 Ų196138.1 Ų138.192%0.91667%0.669SS**PPolyproline II helixtrans-69.4117.2167.4-87.6-171.6149.400107.5R8R8-E10 PolarHBondContact O-N 2.95Å
11Y64.4Low68.7Low118 Ų118136.6 Ų136.646%0.46366%0.664SS.*PPolyproline II helixtrans-89140.7-179.8-70.7-82.9000110.6P9 K13 R62P9-Y11 HydrophobicContact CB-CE2 4.21Å; P9-Y11 HydrophobicContact CG-CE1 4.5Å; P9-Y11 HydrophobicContact CG-CE2 3.74Å; P9-Y11 WeakPolarHBondContact CG-OH 3.35Å; P9-Y11 WeakPolarHBondContact O-CD2 3.41Å; P9-Y11 WeakPolarHBondContact O-CE2 3.5Å; P9-Y11 PolarHBondContact O-N 3.32Å; Y11-K13 PolarHBondContact O-N 3.23Å; Y11-K13 VanDerWaalsContact O-N 3.1Å; Y11-R62 HydrophobicContact CE2-CG 4.32Å
12H72.6Confident71.3Confident175 Ų175128.9 Ų128.981%0.8163%0.631SS**  trans-65.1111.4179.6-162.23.4000109.7I14H12-I14 PolarHBondContact O-N 3.36Å
13K79.6Confident73.4Confident193 Ų193123.4 Ų123.484%0.83959%0.591SS**PPolyproline II helixtrans-71.6119.9167.6-68.1-178.2179.8178.20108.1Y11Y11-K13 PolarHBondContact O-N 3.23Å; Y11-K13 VanDerWaalsContact O-N 3.1Å
14I83.5Confident75.7Confident121 Ų121113 Ų11362%0.62156%0.558SS**PPolyproline II helixtrans-86.5152171.6-61.8174.2000108H12 K16 L18H12-I14 PolarHBondContact O-N 3.36Å; I14-K16 PolarHBondContact O-N 3.35Å; I14-L18 HydrophobicContact CG2-CD2 3.9Å
15N86.8Confident78.1Confident101 Ų101110 Ų11054%0.5454%0.544SS..PPolyproline II helixtrans-58.4127.6173.8-172.7-17.7000110D17 L18 F19N15-D17 VanDerWaalsContact C-N 3.27Å; N15-D17 PolarHBondContact O-N 3.2Å; N15-D17 PolarHBondContact OD1-N 3.46Å; N15-L18 HydrophobicContact CB-CB 4.39Å; N15-L18 WeakPolarHBondContact O-CB 3.43Å; N15-L18 PolarHBondContact O-N 2.94Å; N15-F19 PolarHBondContact O-N 3.12Å
16K87.3Confident80.1Confident88 Ų88108.1 Ų108.138%0.38352%0.52SS..Hα-helixtrans-56.1-41.9177.5-174.4-166.2177.1-1600111.6I14 L18 F19 V20 E114I14-K16 PolarHBondContact O-N 3.35Å; K16-L18 VanDerWaalsContact C-N 3.26Å; K16-L18 PolarHBondContact O-N 2.75Å; K16-F19 WeakPolarHBondContact O-CB 3.4Å; K16-F19 PolarHBondContact O-N 3.46Å; K16-V20 HydrophobicContact CG-CG2 4.28Å; K16-V20 WeakPolarHBondContact O-CG2 3.45Å; K16-V20 PolarHBondContact O-N 3.34Å; K16-E114 IonicContact NZ-OE2 2.65Å; K16-E114 PolarHBondContact NZ-OE2 2.8Å
17D90.3Very high82.3Confident63 Ų6399.4 Ų99.434%0.33748%0.48SS..Hα-helixtrans-63.3-36.8-176.8-57.2-21.6000111.2N15 F19 V20 L21 F115N15-D17 VanDerWaalsContact C-N 3.27Å; N15-D17 PolarHBondContact O-N 3.2Å; N15-D17 PolarHBondContact OD1-N 3.46Å; D17-F19 VanDerWaalsContact C-N 3.31Å; D17-F19 PolarHBondContact O-N 2.97Å; D17-V20 PolarHBondContact O-N 2.91Å; D17-L21 WeakPolarHBondContact O-CB 3.28Å; D17-L21 WeakPolarHBondContact O-CG 3.25Å; D17-L21 PolarHBondContact O-N 3.2Å; D17-F115 HydrophobicContact CB-CE2 4.3Å
18L92.1Very high84.4Confident101 Ų10190.6 Ų90.653%0.52946%0.457SS..Hα-helixtrans-60.8-43.3175.4-179.862.1000110.9I14 N15 K16 T22I14-L18 HydrophobicContact CG2-CD2 3.9Å; N15-L18 HydrophobicContact CB-CB 4.39Å; N15-L18 WeakPolarHBondContact O-CB 3.43Å; N15-L18 PolarHBondContact O-N 2.94Å; K16-L18 VanDerWaalsContact C-N 3.26Å; K16-L18 PolarHBondContact O-N 2.75Å; L18-T22 VanDerWaalsContact O-CB 3.28Å; L18-T22 WeakPolarHBondContact O-CB 3.2Å; L18-T22 PolarHBondContact O-N 2.92Å; L18-T22 PolarHBondContact O-OG1 2.89Å
19F91.9Very high86.3Confident98 Ų9886.2 Ų86.243%0.4345%0.445SS..Hα-helixtrans-65.9-45.6177.4175.8-113.2000111.9N15 K16 D17 T22 Y23 L87 L112N15-F19 PolarHBondContact O-N 3.12Å; K16-F19 WeakPolarHBondContact O-CB 3.4Å; K16-F19 PolarHBondContact O-N 3.46Å; D17-F19 VanDerWaalsContact C-N 3.31Å; D17-F19 PolarHBondContact O-N 2.97Å; F19-T22 PolarHBondContact O-N 2.67Å; F19-Y23 WeakPolarHBondContact O-CB 3.46Å; F19-Y23 PolarHBondContact O-N 3.01Å; F19-L87 HydrophobicContact CE1-CD2 3.93Å; F19-L112 HydrophobicContact CD1-CD2 4.11Å; F19-L112 HydrophobicContact CE1-CD2 3.45Å; F19-L112 VanDerWaalsContact CE1-CD2 3.45Å; F19-L112 HydrophobicContact CZ-CD2 4.12Å
20V93Very high88.2Confident4 Ų482.8 Ų82.82%0.02442%0.422CS..Hα-helixtrans-62.5-46.2179.7178.60000111.2K16 D17 T22 Y23 G24 P111 F115K16-V20 HydrophobicContact CG-CG2 4.28Å; K16-V20 WeakPolarHBondContact O-CG2 3.45Å; K16-V20 PolarHBondContact O-N 3.34Å; D17-V20 PolarHBondContact O-N 2.91Å; V20-T22 PolarHBondContact O-N 2.75Å; V20-Y23 PolarHBondContact O-N 3.41Å; V20-G24 PolarHBondContact O-N 3.39Å; V20-P111 WeakPolarHBondContact CG2-O 3.39Å; V20-F115 HydrophobicContact CB-CD2 4.31Å; V20-F115 HydrophobicContact CB-CE2 4.37Å; V20-F115 HydrophobicContact CG1-CD2 3.67Å; V20-F115 HydrophobicContact CG1-CE2 4.16Å
21L94.1Very high89.9Confident107 Ų10774.4 Ų74.456%0.5639%0.385SS*.Hα-helixtrans-65.8-37.7177.5-67.7172.3000112.2D17 Y23 G24 A25 F115D17-L21 WeakPolarHBondContact O-CB 3.28Å; D17-L21 WeakPolarHBondContact O-CG 3.25Å; D17-L21 PolarHBondContact O-N 3.2Å; L21-Y23 VanDerWaalsContact C-N 3.35Å; L21-G24 PolarHBondContact O-N 2.95Å; L21-A25 WeakPolarHBondContact O-CB 3.27Å; L21-A25 PolarHBondContact O-N 3.19Å; L21-F115 HydrophobicContact CD2-CD2 4.24Å
22T95.1Very high91.3Very high83 Ų8376.6 Ų76.651%0.50940%0.396SS..Hα-helixtrans-64-42.6175-57.60000111L18 F19 V20 A25 L26L18-T22 VanDerWaalsContact O-CB 3.28Å; L18-T22 WeakPolarHBondContact O-CB 3.2Å; L18-T22 PolarHBondContact O-N 2.92Å; L18-T22 PolarHBondContact O-OG1 2.89Å; F19-T22 PolarHBondContact O-N 2.67Å; V20-T22 PolarHBondContact O-N 2.75Å; T22-A25 PolarHBondContact O-N 2.64Å; T22-L26 PolarHBondContact O-N 3.28Å
23Y96Very high92.4Very high7 Ų773.1 Ų73.13%0.02738%0.384CS..Hα-helixtrans-63.2-43.6175-175-111.1000111.7F19 V20 L21 A25 L26 V27 L44 L112 Y128 L131F19-Y23 WeakPolarHBondContact O-CB 3.46Å; F19-Y23 PolarHBondContact O-N 3.01Å; V20-Y23 PolarHBondContact O-N 3.41Å; L21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-A25 PolarHBondContact O-N 3.46Å; Y23-L26 HydrophobicContact CD2-CD2 4.37Å; Y23-L26 WeakPolarHBondContact O-CB 3.45Å; Y23-L26 PolarHBondContact O-N 2.89Å; Y23-V27 HydrophobicContact CD1-CG2 4.26Å; Y23-V27 HydrophobicContact CE1-CG2 3.79Å; Y23-V27 HydrophobicContact CE2-CG2 4.07Å; Y23-V27 WeakPolarHBondContact O-CG2 3.43Å; Y23-V27 PolarHBondContact O-N 3.47Å; Y23-L44 HydrophobicContact CE2-CD2 4.26Å; Y23-L112 HydrophobicContact CD1-CB 4.18Å; Y23-L112 HydrophobicContact CD1-CD1 4.4Å; Y23-L112 HydrophobicContact CD1-CD2 4.05Å; Y23-L112 HydrophobicContact CD1-CG 4.45Å; Y23-L112 HydrophobicContact CE1-CB 4.34Å; Y23-L112 HydrophobicContact CE1-CD1 4.19Å; Y23-L112 HydrophobicContact CG-CD2 4.22Å; Y23-Y128 AromaticContact CD1-CE1 3.67Å; Y23-Y128 HydrophobicContact CD1-CE1 3.67Å; Y23-Y128 AromaticContact CE1-CD1 3.83Å; Y23-Y128 HydrophobicContact CE1-CD1 3.83Å; Y23-Y128 AromaticContact CE1-CE1 3.42Å; Y23-Y128 HydrophobicContact CE1-CE1 3.42Å; Y23-Y128 VanDerWaalsContact CE1-CE1 3.42Å; Y23-Y128 AromaticContact CE1-CZ 4Å; Y23-Y128 WeakPolarHBondContact CE1-O 3.29Å; Y23-Y128 VanDerWaalsContact CZ-O 3.31Å; Y23-Y128 PolarHBondContact OH-O 2.83Å; Y23-L131 HydrophobicContact CD2-CD2 4.04Å; Y23-L131 HydrophobicContact CE2-CB 3.83Å; Y23-L131 HydrophobicContact CE2-CD2 3.61Å; Y23-L131 HydrophobicContact CE2-CG 4.21Å; Y23-L131 WeakPolarHBondContact OH-CB 3.47Å
24G95.1Very high93.1Very high19 Ų1967.8 Ų67.820%0.19636%0.359CS..Hα-helixtrans-61.2-42.1175.600000113.3V20 L21 L26 V27 A28 Y128V20-G24 PolarHBondContact O-N 3.39Å; L21-G24 PolarHBondContact O-N 2.95Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 2.89Å; G24-V27 PolarHBondContact O-N 3.05Å; G24-A28 VanDerWaalsContact O-CB 3.25Å; G24-A28 WeakPolarHBondContact O-CB 3.21Å; G24-A28 PolarHBondContact O-N 3.48Å; G24-Y128 WeakPolarHBondContact CA-OH 3.32Å
25A95.1Very high93.6Very high62 Ų6270.6 Ų70.651%0.51237%0.37SS..Hα-helixtrans-62.4-40.7174.400000112L21 T22 Y23 Q29L21-A25 WeakPolarHBondContact O-CB 3.27Å; L21-A25 PolarHBondContact O-N 3.19Å; T22-A25 PolarHBondContact O-N 2.64Å; Y23-A25 PolarHBondContact O-N 3.46Å; A25-Q29 WeakPolarHBondContact O-CB 3.39Å; A25-Q29 PolarHBondContact O-N 3.42Å
26L96.4Very high94Very high54 Ų5471.8 Ų71.828%0.28337%0.37SS..Hα-helixtrans-60.5-52.2174.7171.768.2000111.3T22 Y23 G24 A28 Q29 L30 M47T22-L26 PolarHBondContact O-N 3.28Å; Y23-L26 HydrophobicContact CD2-CD2 4.37Å; Y23-L26 WeakPolarHBondContact O-CB 3.45Å; Y23-L26 PolarHBondContact O-N 2.89Å; G24-L26 VanDerWaalsContact C-N 3.34Å; G24-L26 PolarHBondContact O-N 2.89Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.34Å; L26-Q29 PolarHBondContact O-N 2.98Å; L26-L30 HydrophobicContact CD1-CD1 4.32Å; L26-L30 HydrophobicContact CD1-CG 4.4Å; L26-L30 HydrophobicContact CG-CD1 4.28Å; L26-L30 WeakPolarHBondContact O-CG 3.4Å; L26-L30 PolarHBondContact O-N 2.88Å; L26-M47 HydrophobicContact CD1-CE 4.06Å; L26-M47 HydrophobicContact CD2-CE 4.13Å; L26-M47 HydrophobicContact CD2-SD 3.58Å; L26-M47 VanDerWaalsContact CD2-SD 3.58Å
27V95.7Very high94.4Very high4 Ų467.9 Ų67.92%0.02435%0.353CS..Hα-helixtrans-62.5-43.3-179.6177.70000110.6Y23 G24 Q29 L30 C31 L44 L126 Y128Y23-V27 HydrophobicContact CD1-CG2 4.26Å; Y23-V27 HydrophobicContact CE1-CG2 3.79Å; Y23-V27 HydrophobicContact CE2-CG2 4.07Å; Y23-V27 WeakPolarHBondContact O-CG2 3.43Å; Y23-V27 PolarHBondContact O-N 3.47Å; G24-V27 PolarHBondContact O-N 3.05Å; V27-Q29 VanDerWaalsContact C-N 3.27Å; V27-Q29 PolarHBondContact O-N 3.25Å; V27-L30 PolarHBondContact O-N 3.48Å; V27-C31 PolarHBondContact O-N 3.31Å; V27-C31 PolarHBondContact O-SG 2.87Å; V27-C31 VanDerWaalsContact O-SG 3.34Å; V27-L44 HydrophobicContact CG2-CD1 4.38Å; V27-L44 HydrophobicContact CG2-CD2 4.19Å; V27-L126 HydrophobicContact CG1-CD2 4.3Å; V27-Y128 HydrophobicContact CB-CD2 4.34Å; V27-Y128 HydrophobicContact CB-CE2 3.89Å; V27-Y128 HydrophobicContact CG1-CD2 3.73Å; V27-Y128 HydrophobicContact CG1-CE2 3.72Å; V27-Y128 HydrophobicContact CG2-CD2 4.39Å; V27-Y128 HydrophobicContact CG2-CE2 4.07Å
28A93.7Very high94.6Very high48 Ų4869.9 Ų69.940%0.39736%0.36SS..Hα-helixtrans-60.7-37.2176.900000112.4G24 L26 K32G24-A28 VanDerWaalsContact O-CB 3.25Å; G24-A28 WeakPolarHBondContact O-CB 3.21Å; G24-A28 PolarHBondContact O-N 3.48Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.34Å; A28-K32 WeakPolarHBondContact O-CG 2.83Å; A28-K32 PolarHBondContact O-N 3.33Å
29Q95.4Very high94.9Very high89 Ų8968 Ų6842%0.41635%0.351SS..Hα-helixtrans-67.8-44.8175.1-173.757.240.500111.3A25 L26 V27 C31 K32 D33A25-Q29 WeakPolarHBondContact O-CB 3.39Å; A25-Q29 PolarHBondContact O-N 3.42Å; L26-Q29 PolarHBondContact O-N 2.98Å; V27-Q29 VanDerWaalsContact C-N 3.27Å; V27-Q29 PolarHBondContact O-N 3.25Å; Q29-C31 VanDerWaalsContact C-N 3.3Å; Q29-C31 PolarHBondContact O-N 3.37Å; Q29-K32 WeakPolarHBondContact O-CA 3.34Å; Q29-K32 WeakPolarHBondContact O-CB 3.34Å; Q29-K32 PolarHBondContact O-N 2.97Å; Q29-D33 VanDerWaalsContact NE2-CG 3.32Å; Q29-D33 PolarHBondContact NE2-OD1 3.19Å; Q29-D33 PolarHBondContact NE2-OD2 3.46Å; Q29-D33 VanDerWaalsContact O-CG 3.3Å; Q29-D33 PolarHBondContact O-N 3.39Å
30L95.8Very high95.1Very high7 Ų763.3 Ų63.34%0.03733%0.331CS..Hα-helixtrans-60.7-39.6175.9-66.2172.4000112.2L26 V27 K32 D33 Y34 V40 Y43 L44L26-L30 HydrophobicContact CD1-CD1 4.32Å; L26-L30 HydrophobicContact CD1-CG 4.4Å; L26-L30 HydrophobicContact CG-CD1 4.28Å; L26-L30 WeakPolarHBondContact O-CG 3.4Å; L26-L30 PolarHBondContact O-N 2.88Å; V27-L30 PolarHBondContact O-N 3.48Å; L30-K32 PolarHBondContact O-N 2.95Å; L30-D33 PolarHBondContact O-N 3.03Å; L30-Y34 HydrophobicContact CB-CD2 4.49Å; L30-Y34 HydrophobicContact CD2-CD2 4.24Å; L30-Y34 HydrophobicContact CD2-CE2 3.89Å; L30-Y34 WeakPolarHBondContact O-CD2 3.15Å; L30-Y34 PolarHBondContact O-N 3.38Å; L30-V40 HydrophobicContact CB-CG1 3.91Å; L30-V40 HydrophobicContact CB-CG2 4.39Å; L30-V40 HydrophobicContact CD1-CG1 4.4Å; L30-Y43 HydrophobicContact CD1-CD1 3.66Å; L30-Y43 HydrophobicContact CD1-CE1 4.21Å; L30-Y43 HydrophobicContact CD2-CD1 3.41Å; L30-Y43 VanDerWaalsContact CD2-CD1 3.41Å; L30-Y43 HydrophobicContact CD2-CE1 3.53Å; L30-Y43 HydrophobicContact CD2-CG 4.02Å; L30-Y43 HydrophobicContact CG-CD1 4.2Å; L30-Y43 HydrophobicContact CG-CE1 4.48Å; L30-L44 HydrophobicContact CD1-CD2 3.66Å; L30-L44 HydrophobicContact CD1-CG 3.99Å
31C93.8Very high95.3Very high21 Ų2164.1 Ų64.114%0.14234%0.335CS..Hα-helixtrans-67.4-13174.4-68.50000113.8V27 Q29 R123V27-C31 PolarHBondContact O-N 3.31Å; V27-C31 PolarHBondContact O-SG 2.87Å; V27-C31 VanDerWaalsContact O-SG 3.34Å; Q29-C31 VanDerWaalsContact C-N 3.3Å; Q29-C31 PolarHBondContact O-N 3.37Å; C31-R123 PolarHBondContact O-NH2 3.43Å
32K93.9Very high95.5Very high163 Ų16365.4 Ų65.471%0.70934%0.338SS*.Hα-helixtrans-90.6-36.9169.9-69.3171.2-177175.40111.4A28 Q29 L30A28-K32 WeakPolarHBondContact O-CG 2.83Å; A28-K32 PolarHBondContact O-N 3.33Å; Q29-K32 WeakPolarHBondContact O-CA 3.34Å; Q29-K32 WeakPolarHBondContact O-CB 3.34Å; Q29-K32 PolarHBondContact O-N 2.97Å; L30-K32 PolarHBondContact O-N 2.95Å
33D96Very high95.6Very high102 Ų10265.9 Ų65.955%0.54533%0.331SS..Hα-helixtrans-79.9-24-174.9-62.7-21.5000112.8Q29 L30Q29-D33 VanDerWaalsContact NE2-CG 3.32Å; Q29-D33 PolarHBondContact NE2-OD1 3.19Å; Q29-D33 PolarHBondContact NE2-OD2 3.46Å; Q29-D33 VanDerWaalsContact O-CG 3.3Å; Q29-D33 PolarHBondContact O-N 3.39Å; L30-D33 PolarHBondContact O-N 3.03Å
34Y95.1Very high95.7Very high81 Ų8165.6 Ų65.632%0.31833%0.33SS..  trans-120.8131.4-179.8-66.3-84.2000111.9L30 D39 V40 Y43 R123L30-Y34 HydrophobicContact CB-CD2 4.49Å; L30-Y34 HydrophobicContact CD2-CD2 4.24Å; L30-Y34 HydrophobicContact CD2-CE2 3.89Å; L30-Y34 WeakPolarHBondContact O-CD2 3.15Å; L30-Y34 PolarHBondContact O-N 3.38Å; Y34-D39 HydrophobicContact CD1-CB 3.54Å; Y34-D39 HydrophobicContact CE1-CB 4.17Å; Y34-D39 HydrophobicContact CG-CB 4.1Å; Y34-V40 HydrophobicContact CD2-CG2 4.41Å; Y34-V40 HydrophobicContact CG-CG2 4.34Å; Y34-Y43 HydrophobicContact CE2-CD2 4.42Å; Y34-R123 PolarHBondContact O-NH1 2.87Å; Y34-R123 PolarHBondContact O-NH2 3.43Å
35E92.6Very high95.8Very high181 Ų18166.2 Ų66.285%0.84633%0.329SS*.SBendtrans-72.3-41.4175.3-66-175.8170.500111.8R123E35-R123 PolarHBondContact O-NH1 2.89Å; E35-R123 VanDerWaalsContact O-NH1 3.12Å
36K95.6Very high96Very high126 Ų12670.5 Ų70.555%0.54834%0.336SS..SBendtrans-96.2138.3-173.7-61.2178.2-176.81730112.4E38 D39 V40K36-E38 VanDerWaalsContact C-N 3.26Å; K36-E38 PolarHBondContact O-N 2.84Å; K36-D39 PolarHBondContact O-N 3.27Å; K36-V40 PolarHBondContact O-N 3.4Å
37D95.1Very high96.1Very high6 Ų670.7 Ų70.73%0.03234%0.336CS..Hα-helixtrans-65.2-31.9178.1-73.81.2000112.2D39 V40 N41 R123 S124 S125 L126D37-D39 VanDerWaalsContact C-N 3.28Å; D37-D39 PolarHBondContact O-N 3.4Å; D37-V40 PolarHBondContact O-N 3.3Å; D37-N41 WeakPolarHBondContact O-CB 3.48Å; D37-N41 PolarHBondContact O-N 3.29Å; D37-N41 PolarHBondContact O-ND2 3.34Å; D37-R123 WeakPolarHBondContact OD1-CD 3.46Å; D37-R123 IonicContact OD1-CZ 3.59Å; D37-R123 IonicContact OD1-NE 3.65Å; D37-R123 IonicContact OD1-NH1 2.75Å; D37-R123 PolarHBondContact OD1-NH1 3.16Å; D37-R123 WeakPolarHBondContact OD2-CA 3.38Å; D37-S124 PolarHBondContact OD2-N 3.48Å; D37-S125 WeakPolarHBondContact CB-OG 3.12Å; D37-S125 PolarHBondContact OD2-N 3.21Å; D37-S125 PolarHBondContact OD2-OG 2.91Å; D37-L126 HydrophobicContact CB-CB 4.37Å; D37-L126 PolarHBondContact OD2-N 3.46Å
38E95.7Very high96.2Very high104 Ų10470.5 Ų70.549%0.48634%0.335SS..Hα-helixtrans-62.4-38.3178.7-63.970-144.400111.3K36 N41 Q42 S125K36-E38 VanDerWaalsContact C-N 3.26Å; K36-E38 PolarHBondContact O-N 2.84Å; E38-N41 PolarHBondContact O-N 2.87Å; E38-Q42 WeakPolarHBondContact O-CB 3.24Å; E38-Q42 PolarHBondContact O-N 3.19Å; E38-S125 PolarHBondContact OE1-OG 3.46Å
39D96.9Very high96.4Very high62 Ų6271.1 Ų71.133%0.33233%0.327SS..Hα-helixtrans-69.2-41.6177.7-62.6-35.8000110.8Y34 K36 D37 Q42 Y43Y34-D39 HydrophobicContact CD1-CB 3.54Å; Y34-D39 HydrophobicContact CE1-CB 4.17Å; Y34-D39 HydrophobicContact CG-CB 4.1Å; K36-D39 PolarHBondContact O-N 3.27Å; D37-D39 VanDerWaalsContact C-N 3.28Å; D37-D39 PolarHBondContact O-N 3.4Å; D39-Q42 PolarHBondContact O-N 3.42Å; D39-Y43 WeakPolarHBondContact O-CB 3.44Å; D39-Y43 PolarHBondContact O-N 3.38Å
40V97.1Very high96.6Very high0 Ų068.2 Ų68.20%032%0.322CS..Hα-helixtrans-61.6-47.4174.2-179.80000110.6L30 Y34 K36 D37 Q42 Y43 L44 L126L30-V40 HydrophobicContact CB-CG1 3.91Å; L30-V40 HydrophobicContact CB-CG2 4.39Å; L30-V40 HydrophobicContact CD1-CG1 4.4Å; Y34-V40 HydrophobicContact CD2-CG2 4.41Å; Y34-V40 HydrophobicContact CG-CG2 4.34Å; K36-V40 PolarHBondContact O-N 3.4Å; D37-V40 PolarHBondContact O-N 3.3Å; V40-Q42 PolarHBondContact O-N 3.39Å; V40-Y43 PolarHBondContact O-N 2.52Å; V40-L44 HydrophobicContact CG1-CD1 4.09Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.22Å; V40-L126 HydrophobicContact CB-CD1 3.96Å; V40-L126 HydrophobicContact CG1-CD1 3.46Å; V40-L126 VanDerWaalsContact CG1-CD1 3.46Å
41N97.1Very high96.7Very high20 Ų2071.1 Ų71.111%0.10734%0.336CS..Hα-helixtrans-59.5-46.4178.5-73.5-22.8000111.4D37 E38 Y43 L44 D45 S125 C127 N130D37-N41 WeakPolarHBondContact O-CB 3.48Å; D37-N41 PolarHBondContact O-N 3.29Å; D37-N41 PolarHBondContact O-ND2 3.34Å; E38-N41 PolarHBondContact O-N 2.87Å; N41-Y43 VanDerWaalsContact C-N 3.31Å; N41-Y43 PolarHBondContact O-N 2.99Å; N41-L44 PolarHBondContact O-N 3.1Å; N41-D45 WeakPolarHBondContact O-CB 3.39Å; N41-D45 PolarHBondContact O-N 3.33Å; N41-S125 PolarHBondContact ND2-O 3.05Å; N41-C127 WeakPolarHBondContact OD1-CB 3.2Å; N41-C127 PolarHBondContact OD1-N 3.39Å; N41-N130 PolarHBondContact O-ND2 3.08Å
42Q97.3Very high96.9Very high135 Ų13570.1 Ų70.163%0.63133%0.33SS*.Hα-helixtrans-63.2-40177.4-172.6179.52400111.4E38 D39 V40 K46E38-Q42 WeakPolarHBondContact O-CB 3.24Å; E38-Q42 PolarHBondContact O-N 3.19Å; D39-Q42 PolarHBondContact O-N 3.42Å; V40-Q42 PolarHBondContact O-N 3.39Å; Q42-K46 VanDerWaalsContact O-CB 3.27Å; Q42-K46 WeakPolarHBondContact O-CB 3.45Å; Q42-K46 PolarHBondContact O-N 3.37Å
43Y97.9Very high97Very high93 Ų9363.8 Ų63.837%0.36530%0.304SS..Hα-helixtrans-65.8-45.6178.2-168.1-87.2000111.9L30 Y34 D39 V40 N41 K46 M47L30-Y43 HydrophobicContact CD1-CD1 3.66Å; L30-Y43 HydrophobicContact CD1-CE1 4.21Å; L30-Y43 HydrophobicContact CD2-CD1 3.41Å; L30-Y43 VanDerWaalsContact CD2-CD1 3.41Å; L30-Y43 HydrophobicContact CD2-CE1 3.53Å; L30-Y43 HydrophobicContact CD2-CG 4.02Å; L30-Y43 HydrophobicContact CG-CD1 4.2Å; L30-Y43 HydrophobicContact CG-CE1 4.48Å; Y34-Y43 HydrophobicContact CE2-CD2 4.42Å; D39-Y43 WeakPolarHBondContact O-CB 3.44Å; D39-Y43 PolarHBondContact O-N 3.38Å; V40-Y43 PolarHBondContact O-N 2.52Å; N41-Y43 VanDerWaalsContact C-N 3.31Å; N41-Y43 PolarHBondContact O-N 2.99Å; Y43-K46 PolarHBondContact O-N 3.31Å; Y43-M47 HydrophobicContact CD1-CE 4.33Å; Y43-M47 HydrophobicContact CE1-CE 3.51Å; Y43-M47 WeakPolarHBondContact O-CB 3.4Å; Y43-M47 PolarHBondContact O-N 3.31Å
44L98.1Very high97.1Very high0 Ų068.4 Ų68.40%031%0.314CS..Hα-helixtrans-59.9-46.6175.7-73.9174.4000111.7Y23 V27 L30 V40 N41 M47 G48 N130Y23-L44 HydrophobicContact CE2-CD2 4.26Å; V27-L44 HydrophobicContact CG2-CD1 4.38Å; V27-L44 HydrophobicContact CG2-CD2 4.19Å; L30-L44 HydrophobicContact CD1-CD2 3.66Å; L30-L44 HydrophobicContact CD1-CG 3.99Å; V40-L44 HydrophobicContact CG1-CD1 4.09Å; V40-L44 HydrophobicContact CG1-CG 4.39Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.22Å; N41-L44 PolarHBondContact O-N 3.1Å; L44-M47 PolarHBondContact O-N 3.29Å; L44-G48 PolarHBondContact O-N 2.92Å; L44-N130 HydrophobicContact CB-CB 4.06Å; L44-N130 HydrophobicContact CD1-CB 4.4Å
45D98.1Very high97.1Very high33 Ų3366.7 Ų66.718%0.17631%0.31CS..Hα-helixtrans-62.9-43.6176.9168.474.8000111.7N41 M47 G48 Y49 G134 R137N41-D45 WeakPolarHBondContact O-CB 3.39Å; N41-D45 PolarHBondContact O-N 3.33Å; D45-M47 PolarHBondContact O-N 2.62Å; D45-G48 PolarHBondContact O-N 3.41Å; D45-Y49 WeakPolarHBondContact O-CB 3.31Å; D45-Y49 PolarHBondContact O-N 3.36Å; D45-G134 VanDerWaalsContact O-CA 3.29Å; D45-G134 WeakPolarHBondContact O-CA 3.12Å; D45-G134 VanDerWaalsContact OD1-CA 3.24Å; D45-G134 WeakPolarHBondContact OD1-CA 3.39Å; D45-G134 PolarHBondContact OD1-N 2.98Å; D45-R137 IonicContact OD1-CZ 3.78Å; D45-R137 IonicContact OD1-NE 3.61Å; D45-R137 PolarHBondContact OD1-NE 3.38Å; D45-R137 IonicContact OD1-NH2 3.99Å; D45-R137 PolarHBondContact OD1-NH2 2.95Å; D45-R137 IonicContact OD2-CZ 2.78Å; D45-R137 IonicContact OD2-NE 3.42Å; D45-R137 IonicContact OD2-NH2 3.68Å; D45-R137 PolarHBondContact OD2-NH2 2.84Å
46K98.2Very high97.2Very high151 Ų15158.6 Ų58.666%0.65727%0.273SS*.Hα-helixtrans-62.6-42.4176.5-176.3178.9179.9-178.80112.3Q42 Y43 Y49 G50Q42-K46 VanDerWaalsContact O-CB 3.27Å; Q42-K46 WeakPolarHBondContact O-CB 3.45Å; Q42-K46 PolarHBondContact O-N 3.37Å; Y43-K46 PolarHBondContact O-N 3.31Å; K46-Y49 PolarHBondContact O-N 2.84Å; K46-G50 PolarHBondContact O-N 3.06Å
47M98.3Very high97.1Very high58 Ų5859 Ų5929%0.28628%0.277SS..Hα-helixtrans-63-46.6174.8-178.5-178.1-72.800110.8L26 Y43 L44 D45 Y49 G50 I51 L131L26-M47 HydrophobicContact CD1-CE 4.06Å; L26-M47 HydrophobicContact CD2-CE 4.13Å; L26-M47 HydrophobicContact CD2-SD 3.58Å; L26-M47 VanDerWaalsContact CD2-SD 3.58Å; Y43-M47 HydrophobicContact CD1-CE 4.33Å; Y43-M47 HydrophobicContact CE1-CE 3.51Å; Y43-M47 WeakPolarHBondContact O-CB 3.4Å; Y43-M47 PolarHBondContact O-N 3.31Å; L44-M47 PolarHBondContact O-N 3.29Å; D45-M47 PolarHBondContact O-N 2.62Å; M47-Y49 VanDerWaalsContact C-N 3.29Å; M47-Y49 PolarHBondContact O-N 3.46Å; M47-G50 PolarHBondContact O-N 3.15Å; M47-I51 HydrophobicContact CG-CD1 4.14Å; M47-I51 WeakPolarHBondContact O-CG1 3.37Å; M47-I51 PolarHBondContact O-N 3.02Å; M47-L131 HydrophobicContact CB-CD1 4.03Å; M47-L131 HydrophobicContact CG-CD1 3.91Å; M47-L131 HydrophobicContact SD-CD1 4.03Å
48G98.3Very high97Very high0 Ų061.2 Ų61.20%029%0.289CS..Hα-helixtrans-58.1-43.6178.100000111.6L44 D45 G50 I51 G52 L131 G134 I135L44-G48 PolarHBondContact O-N 2.92Å; D45-G48 PolarHBondContact O-N 3.41Å; G48-G50 PolarHBondContact O-N 3.22Å; G48-I51 CarbonylContact O-C 3.57Å; G48-I51 WeakPolarHBondContact O-CB 3.4Å; G48-I51 PolarHBondContact O-N 3.34Å; G48-I51 VanDerWaalsContact O-N 3.11Å; G48-G52 PolarHBondContact O-N 2.78Å; G48-L131 WeakPolarHBondContact CA-O 3.35Å; G48-G134 CarbonylContact C-O 3.17Å; G48-G134 CarbonylContact O-C 3.58Å; G48-I135 VanDerWaalsContact C-N 3.29Å; G48-I135 VanDerWaalsContact O-CA 3.23Å; G48-I135 WeakPolarHBondContact O-CA 3.31Å; G48-I135 VanDerWaalsContact O-CG1 3.31Å; G48-I135 WeakPolarHBondContact O-CG1 3.37Å; G48-I135 PolarHBondContact O-N 3.47Å
49Y98.6Very high96.9Very high61 Ų6157.4 Ų57.424%0.23927%0.271CS..Hα-helixtrans-57.1-48.7175.1178.6-93.1000112.5D45 K46 M47 I51 G52 T53 G134 R137 E141D45-Y49 WeakPolarHBondContact O-CB 3.31Å; D45-Y49 PolarHBondContact O-N 3.36Å; K46-Y49 PolarHBondContact O-N 2.84Å; M47-Y49 VanDerWaalsContact C-N 3.29Å; M47-Y49 PolarHBondContact O-N 3.46Å; Y49-I51 VanDerWaalsContact C-N 3.26Å; Y49-I51 PolarHBondContact O-N 2.98Å; Y49-G52 PolarHBondContact O-N 3.32Å; Y49-T53 HydrophobicContact CD1-CG2 4.27Å; Y49-T53 HydrophobicContact CE1-CG2 3.86Å; Y49-T53 HydrophobicContact CE2-CG2 4.35Å; Y49-T53 WeakPolarHBondContact O-CG2 3.43Å; Y49-T53 PolarHBondContact O-N 3.11Å; Y49-T53 PolarHBondContact O-OG1 3.46Å; Y49-G134 WeakPolarHBondContact CA-O 3.23Å; Y49-G134 PolarHBondContact N-O 3.26Å; Y49-R137 HydrophobicContact CD2-CG 4.49Å; Y49-E141 HydrophobicContact CE2-CB 4.49Å; Y49-E141 WeakPolarHBondContact CE2-OE2 3.5Å; Y49-E141 VanDerWaalsContact CZ-OE2 3.29Å; Y49-E141 PolarHBondContact OH-OE1 3.37Å; Y49-E141 VanDerWaalsContact OH-OE1 3.06Å; Y49-E141 PolarHBondContact OH-OE2 2.96Å
50G98.1Very high96.7Very high29 Ų2958.6 Ų58.630%0.29928%0.277SS..Hα-helixtrans-59.6-35.9175.500000113.1K46 M47 G48 T53K46-G50 PolarHBondContact O-N 3.06Å; M47-G50 PolarHBondContact O-N 3.15Å; G48-G50 PolarHBondContact O-N 3.22Å; G50-T53 PolarHBondContact O-OG1 3.18Å
51I98.1Very high96.4Very high68 Ų6862.7 Ų62.735%0.34931%0.31SS..Hα-helixtrans-68.4-49.6173.4-65.9166.3000110.3M47 G48 Y49 T53 R54 L55 L131 I135M47-I51 HydrophobicContact CG-CD1 4.14Å; M47-I51 WeakPolarHBondContact O-CG1 3.37Å; M47-I51 PolarHBondContact O-N 3.02Å; G48-I51 CarbonylContact O-C 3.57Å; G48-I51 WeakPolarHBondContact O-CB 3.4Å; G48-I51 PolarHBondContact O-N 3.34Å; G48-I51 VanDerWaalsContact O-N 3.11Å; Y49-I51 VanDerWaalsContact C-N 3.26Å; Y49-I51 PolarHBondContact O-N 2.98Å; I51-T53 VanDerWaalsContact C-N 3.33Å; I51-T53 PolarHBondContact O-N 3.17Å; I51-R54 PolarHBondContact O-N 3.31Å; I51-L55 VanDerWaalsContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CB 3.43Å; I51-L55 PolarHBondContact O-N 3.26Å; I51-L131 HydrophobicContact CD1-CD1 4.11Å; I51-I135 HydrophobicContact CB-CG1 4.13Å; I51-I135 HydrophobicContact CG2-CD1 4.23Å; I51-I135 HydrophobicContact CG2-CG1 4.07Å
52G98.1Very high96Very high0 Ų065.2 Ų65.20%032%0.318CS..Hα-helixtrans-57.3-42.4-177.400000113.3G48 Y49 R54 L55 V56 I135G48-G52 PolarHBondContact O-N 2.78Å; Y49-G52 PolarHBondContact O-N 3.32Å; G52-R54 PolarHBondContact O-N 3.47Å; G52-L55 PolarHBondContact O-N 2.84Å; G52-V56 PolarHBondContact O-N 2.98Å; G52-V56 VanDerWaalsContact O-N 3.16Å; G52-I135 WeakPolarHBondContact CA-O 3.39Å
53T97.6Very high95.4Very high29 Ų2959.8 Ų59.818%0.17830%0.295CS..Hα-helixtrans-60.7-28.6177.756.70000113.5Y49 G50 I51 V56 M142Y49-T53 HydrophobicContact CD1-CG2 4.27Å; Y49-T53 HydrophobicContact CE1-CG2 3.86Å; Y49-T53 HydrophobicContact CE2-CG2 4.35Å; Y49-T53 WeakPolarHBondContact O-CG2 3.43Å; Y49-T53 PolarHBondContact O-N 3.11Å; Y49-T53 PolarHBondContact O-OG1 3.46Å; G50-T53 PolarHBondContact O-OG1 3.18Å; I51-T53 VanDerWaalsContact C-N 3.33Å; I51-T53 PolarHBondContact O-N 3.17Å; T53-V56 WeakPolarHBondContact O-CG1 3.18Å; T53-M142 HydrophobicContact CG2-CG 4.02Å; T53-M142 HydrophobicContact CG2-SD 4.16Å
54R96.3Very high94.6Very high199 Ų19959.8 Ų59.875%0.75131%0.308SS*.Hα-helixtrans-91.6-36.5176.7-62.8175.2179162.3-0.1112I51 G52 V56 E57I51-R54 PolarHBondContact O-N 3.31Å; G52-R54 PolarHBondContact O-N 3.47Å; R54-V56 VanDerWaalsContact C-N 3.27Å; R54-V56 PolarHBondContact O-N 2.83Å; R54-E57 PolarHBondContact O-N 3.34Å
55L95.9Very high94Very high45 Ų4561.7 Ų61.724%0.23632%0.319CS..Hα-helixtrans-66.2-29.9-176-168.866.8000112.6I51 G52 E57 D58 F59 Y86 I135I51-L55 VanDerWaalsContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CB 3.43Å; I51-L55 PolarHBondContact O-N 3.26Å; G52-L55 PolarHBondContact O-N 2.84Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 2.91Å; L55-D58 PolarHBondContact O-N 2.94Å; L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 PolarHBondContact O-N 2.82Å; L55-Y86 HydrophobicContact CD1-CD1 4.09Å; L55-Y86 HydrophobicContact CD1-CE1 3.53Å; L55-Y86 HydrophobicContact CD1-CE2 4.14Å; L55-Y86 HydrophobicContact CD2-CD2 4.04Å; L55-Y86 HydrophobicContact CD2-CE2 3.9Å; L55-Y86 HydrophobicContact CD2-CG 4.42Å; L55-Y86 HydrophobicContact CG-CD2 4.47Å; L55-Y86 HydrophobicContact CG-CE1 4.2Å; L55-Y86 HydrophobicContact CG-CE2 3.87Å; L55-Y86 PolarHBondContact O-OH 2.92Å; L55-I135 HydrophobicContact CD2-CG2 3.89Å
56V95.6Very high93.2Very high11 Ų1163 Ų637%0.06734%0.341CS..Hα-helixtrans-61.6-35.4-178.9700000113G52 T53 R54 F59 L60 A139 M142 V143G52-V56 PolarHBondContact O-N 2.98Å; G52-V56 VanDerWaalsContact O-N 3.16Å; T53-V56 WeakPolarHBondContact O-CG1 3.18Å; R54-V56 VanDerWaalsContact C-N 3.27Å; R54-V56 PolarHBondContact O-N 2.83Å; V56-F59 WeakPolarHBondContact O-CB 3.32Å; V56-F59 PolarHBondContact O-N 2.95Å; V56-L60 HydrophobicContact CG2-CD1 4.16Å; V56-L60 HydrophobicContact CG2-CG 4.37Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 2.97Å; V56-A139 HydrophobicContact CB-CB 4.1Å; V56-A139 HydrophobicContact CG2-CB 4.35Å; V56-M142 HydrophobicContact CB-CB 4.47Å; V56-M142 HydrophobicContact CG1-CB 3.61Å; V56-M142 HydrophobicContact CG1-CG 3.88Å; V56-V143 HydrophobicContact CG2-CG1 4.02Å
57E92.1Very high92.5Very high136 Ų13666.5 Ų66.564%0.63635%0.35SS*.Hα-helixtrans-66.8-45.2178.7-65.8-174.916700110.9R54 L55 F59 L60 A61R54-E57 PolarHBondContact O-N 3.34Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 2.91Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 2.97Å; E57-L60 PolarHBondContact O-N 3.19Å; E57-A61 WeakPolarHBondContact O-CB 3.36Å; E57-A61 PolarHBondContact O-N 2.77Å
58D92.8Very high92Very high51 Ų5166 Ų6627%0.27335%0.352SS..Hα-helixtrans-60-43.6173.2-175.264.9000111.1L55 L60 A61 R62 Y86L55-D58 PolarHBondContact O-N 2.94Å; D58-L60 PolarHBondContact O-N 2.97Å; D58-A61 PolarHBondContact O-N 3.2Å; D58-R62 VanDerWaalsContact CG-CD 3.47Å; D58-R62 WeakPolarHBondContact O-CB 3.1Å; D58-R62 WeakPolarHBondContact O-CD 3.34Å; D58-R62 VanDerWaalsContact O-CG 3.24Å; D58-R62 WeakPolarHBondContact O-CG 3.5Å; D58-R62 PolarHBondContact O-N 3.33Å; D58-R62 VanDerWaalsContact O-N 3.17Å; D58-R62 WeakPolarHBondContact OD1-CD 3.49Å; D58-R62 IonicContact OD1-NH1 3.9Å; D58-R62 WeakPolarHBondContact OD2-CD 3.14Å; D58-R62 IonicContact OD2-CZ 2.62Å; D58-R62 IonicContact OD2-NE 3.91Å; D58-R62 IonicContact OD2-NH1 3.94Å; D58-R62 PolarHBondContact OD2-NH1 3.09Å; D58-Y86 PolarHBondContact OD2-OH 3.35Å
59F94.4Very high91.4Very high24 Ų2473.8 Ų73.811%0.10539%0.388CS..Hα-helixtrans-60.2-49.5179178-104.4000111.7L55 V56 E57 A61 R62 S63 V65 I77 V81 A82 M85 Y86L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 PolarHBondContact O-N 2.82Å; V56-F59 WeakPolarHBondContact O-CB 3.32Å; V56-F59 PolarHBondContact O-N 2.95Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 2.97Å; F59-A61 VanDerWaalsContact C-N 3.33Å; F59-A61 PolarHBondContact O-N 2.97Å; F59-R62 PolarHBondContact O-N 2.9Å; F59-S63 WeakPolarHBondContact O-CB 3.5Å; F59-S63 PolarHBondContact O-N 3.28Å; F59-S63 PolarHBondContact O-OG 3.45Å; F59-V65 HydrophobicContact CE1-CG2 4.27Å; F59-V65 HydrophobicContact CZ-CG2 4.14Å; F59-I77 HydrophobicContact CE1-CG2 3.98Å; F59-I77 HydrophobicContact CZ-CG2 3.61Å; F59-V81 HydrophobicContact CE2-CB 4.17Å; F59-V81 HydrophobicContact CE2-CG1 3.85Å; F59-V81 HydrophobicContact CZ-CB 4.2Å; F59-V81 HydrophobicContact CZ-CG1 4.12Å; F59-A82 HydrophobicContact CD2-CB 4.01Å; F59-A82 HydrophobicContact CE2-CB 3.58Å; F59-A82 HydrophobicContact CZ-CB 4.11Å; F59-M85 HydrophobicContact CD2-CE 4.43Å; F59-M85 HydrophobicContact CD2-SD 4.23Å; F59-Y86 VanDerWaalsContact CA-OH 3.3Å; F59-Y86 WeakPolarHBondContact CA-OH 3.44Å; F59-Y86 HydrophobicContact CB-CE2 4.21Å; F59-Y86 WeakPolarHBondContact CB-OH 3.48Å; F59-Y86 AromaticContact CD2-CE2 3.95Å; F59-Y86 HydrophobicContact CD2-CE2 3.95Å; F59-Y86 HydrophobicContact CG-CE2 4.5Å; F59-Y86 PolarHBondContact N-OH 3.29Å; F59-Y86 VanDerWaalsContact N-OH 3.16Å
60L92.8Very high91.1Very high88 Ų8873 Ų7346%0.46139%0.391SS..Hα-helixtrans-66.2-36.2-179.3-69.5174.4000111.8V56 E57 D58 R62 V143V56-L60 HydrophobicContact CG2-CD1 4.16Å; V56-L60 HydrophobicContact CG2-CG 4.37Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 2.97Å; E57-L60 PolarHBondContact O-N 3.19Å; D58-L60 PolarHBondContact O-N 2.97Å; L60-R62 PolarHBondContact O-N 3.06Å; L60-V143 HydrophobicContact CD1-CG1 4.2Å
61A91.1Very high90.9Very high85 Ų8575.2 Ų75.270%0.70239%0.391SS*.Hα-helixtrans-65.5-25.7176.300000113.2E57 D58 F59E57-A61 WeakPolarHBondContact O-CB 3.36Å; E57-A61 PolarHBondContact O-N 2.77Å; D58-A61 PolarHBondContact O-N 3.2Å; F59-A61 VanDerWaalsContact C-N 3.33Å; F59-A61 PolarHBondContact O-N 2.97Å
62R87.8Confident90.7Very high73 Ų7373.2 Ų73.228%0.27538%0.383SS..Hα-helixtrans-112.6-26.3-168.6-65.8173.764.8-158.70.7115.2Y11 D58 F59 L60 M85Y11-R62 HydrophobicContact CE2-CG 4.32Å; D58-R62 VanDerWaalsContact CG-CD 3.47Å; D58-R62 WeakPolarHBondContact O-CB 3.1Å; D58-R62 WeakPolarHBondContact O-CD 3.34Å; D58-R62 VanDerWaalsContact O-CG 3.24Å; D58-R62 WeakPolarHBondContact O-CG 3.5Å; D58-R62 PolarHBondContact O-N 3.33Å; D58-R62 VanDerWaalsContact O-N 3.17Å; D58-R62 WeakPolarHBondContact OD1-CD 3.49Å; D58-R62 IonicContact OD1-NH1 3.9Å; D58-R62 WeakPolarHBondContact OD2-CD 3.14Å; D58-R62 IonicContact OD2-CZ 2.62Å; D58-R62 IonicContact OD2-NE 3.91Å; D58-R62 IonicContact OD2-NH1 3.94Å; D58-R62 PolarHBondContact OD2-NH1 3.09Å; F59-R62 PolarHBondContact O-N 2.9Å; L60-R62 PolarHBondContact O-N 3.06Å; R62-M85 HydrophobicContact CB-CE 4.15Å; R62-M85 HydrophobicContact CB-SD 4.29Å
63S84.9Confident90.5Very high21 Ų2176.5 Ų76.515%0.14740%0.398CS..Hα-helixtrans-82.3-13.2-171.860.40000114.1F59 V65F59-S63 WeakPolarHBondContact O-CB 3.5Å; F59-S63 PolarHBondContact O-N 3.28Å; F59-S63 PolarHBondContact O-OG 3.45Å; S63-V65 PolarHBondContact O-N 3.16Å; S63-V65 VanDerWaalsContact O-N 3.08Å; S63-V65 WeakPolarHBondContact OG-CB 3.32Å; S63-V65 VanDerWaalsContact OG-CG2 3.29Å; S63-V65 WeakPolarHBondContact OG-CG2 3.39Å
64C81.7Confident90.3Very high93 Ų9376.2 Ų76.263%0.62840%0.396SS*.  trans51.424.5-170.7-65.20000113.4R8 G66R8-C64 PolarHBondContact NH2-SG 2.78Å; C64-G66 PolarHBondContact O-N 3.1Å
65V85.7Confident90.3Very high40 Ų4066.8 Ų66.824%0.24236%0.36CS..  trans-67.3128.5178.71660000109F59 S63 I77F59-V65 HydrophobicContact CE1-CG2 4.27Å; F59-V65 HydrophobicContact CZ-CG2 4.14Å; S63-V65 PolarHBondContact O-N 3.16Å; S63-V65 VanDerWaalsContact O-N 3.08Å; S63-V65 WeakPolarHBondContact OG-CB 3.32Å; S63-V65 VanDerWaalsContact OG-CG2 3.29Å; S63-V65 WeakPolarHBondContact OG-CG2 3.39Å; V65-I77 HydrophobicContact CG1-CD1 3.8Å; V65-I77 HydrophobicContact CG1-CG2 4.32Å; V65-I77 HydrophobicContact CG2-CD1 4.47Å; V65-I77 HydrophobicContact CG2-CG2 3.77Å
66G80.9Confident90.3Very high62 Ų6267.7 Ų67.764%0.63937%0.365SS*.  trans-78.5-167.1174.500000112.2C64 C68C64-G66 PolarHBondContact O-N 3.1Å; G66-C68 PolarHBondContact O-N 3.45Å
67R84.3Confident90.3Very high224 Ų22468.6 Ų68.685%0.84537%0.369SS*.  trans-71.7126.9169.9-66.8-177.7-158.71696.3109.3H69R67-H69 PolarHBondContact O-CE1 2.84Å; R67-H69 PolarHBondContact O-ND1 3.27Å
68C86Confident90.5Very high47 Ų4763.1 Ų63.132%0.31834%0.344SS..  trans-85.7146.4173-44.60000110.4G66 E73 I74 I77G66-C68 PolarHBondContact O-N 3.45Å; C68-E73 WeakPolarHBondContact CA-OE2 3.21Å; C68-E73 HydrophobicContact CB-CG 4.21Å; C68-I74 HydrophobicContact CB-CD1 4.29Å; C68-I74 HydrophobicContact CB-CG1 3.61Å; C68-I77 WeakPolarHBondContact SG-CD1 3.43Å
69H87.5Confident90.7Very high164 Ų16460.7 Ų60.776%0.75933%0.331SS*.  trans-115.5-8.1-174.9-57.283.3000113.2R67 E73R67-H69 PolarHBondContact O-CE1 2.84Å; R67-H69 PolarHBondContact O-ND1 3.27Å; H69-E73 PolarHBondContact N-OE2 3.37Å; H69-E73 IonicContact ND1-OE2 3.07Å
70S91.6Very high90.7Very high44 Ų4464.3 Ų64.331%0.30835%0.348SS..SBendtrans-146.9155.117972.20000112.5S72 E73 I74S70-S72 PolarHBondContact O-N 3.05Å; S70-E73 PolarHBondContact O-N 3.27Å; S70-E73 WeakPolarHBondContact OG-CB 2.85Å; S70-E73 PolarHBondContact OG-N 3.31Å; S70-I74 WeakPolarHBondContact O-CD1 3.42Å; S70-I74 WeakPolarHBondContact O-CG1 3.37Å; S70-I74 PolarHBondContact O-N 3.31Å; S70-I74 VanDerWaalsContact O-N 3.13Å
71Y93.8Very high90.8Very high76 Ų7662.3 Ų62.330%0.29834%0.34SS..Hα-helixtrans-61.9-33.6174.4-61.7-35.8000112.7E73 I74 T75 N101 L145 F168Y71-E73 PolarHBondContact O-N 2.85Å; Y71-I74 HydrophobicContact CD1-CD1 4.05Å; Y71-I74 PolarHBondContact O-N 2.97Å; Y71-T75 PolarHBondContact O-N 2.7Å; Y71-T75 PolarHBondContact O-OG1 2.65Å; Y71-N101 HydrophobicContact CD2-CB 4.2Å; Y71-N101 HydrophobicContact CE2-CB 4.34Å; Y71-L145 HydrophobicContact CE1-CD2 3.98Å; Y71-F168 HydrophobicContact CD1-CB 4.18Å; Y71-F168 AromaticContact CD1-CD1 3.61Å; Y71-F168 HydrophobicContact CD1-CD1 3.61Å; Y71-F168 HydrophobicContact CD1-CD2 4.08Å; Y71-F168 AromaticContact CD1-CE1 3.94Å; Y71-F168 HydrophobicContact CD1-CE1 3.94Å; Y71-F168 HydrophobicContact CD1-CE2 4.37Å; Y71-F168 AromaticContact CD1-CG 3.68Å; Y71-F168 HydrophobicContact CD1-CG 3.68Å; Y71-F168 HydrophobicContact CD1-CZ 4.3Å; Y71-F168 HydrophobicContact CD2-CB 3.86Å; Y71-F168 HydrophobicContact CD2-CD2 4.09Å; Y71-F168 AromaticContact CD2-CG 3.98Å; Y71-F168 HydrophobicContact CD2-CG 3.98Å; Y71-F168 HydrophobicContact CE1-CB 4.12Å; Y71-F168 AromaticContact CE1-CD1 3.86Å; Y71-F168 HydrophobicContact CE1-CD1 3.86Å; Y71-F168 HydrophobicContact CE1-CG 4.02Å; Y71-F168 HydrophobicContact CE2-CB 3.75Å; Y71-F168 HydrophobicContact CE2-CG 4.26Å; Y71-F168 HydrophobicContact CG-CB 4.08Å; Y71-F168 HydrophobicContact CG-CD1 4.09Å; Y71-F168 AromaticContact CG-CD2 3.69Å; Y71-F168 HydrophobicContact CG-CD2 3.69Å; Y71-F168 HydrophobicContact CG-CE1 4.47Å; Y71-F168 HydrophobicContact CG-CE2 4.11Å; Y71-F168 AromaticContact CG-CG 3.67Å; Y71-F168 HydrophobicContact CG-CG 3.67Å; Y71-F168 HydrophobicContact CG-CZ 4.47Å
72S93.3Very high91Very high26 Ų2659.1 Ų59.118%0.18231%0.313CS..Hα-helixtrans-58.1-49.8173.6-166.20000111.3S70 I74 T75 D76 R100S70-S72 PolarHBondContact O-N 3.05Å; S72-I74 VanDerWaalsContact C-N 3.29Å; S72-I74 PolarHBondContact O-N 3.24Å; S72-T75 PolarHBondContact O-N 3.07Å; S72-D76 WeakPolarHBondContact O-CB 3.36Å; S72-D76 VanDerWaalsContact O-CG 3.31Å; S72-D76 PolarHBondContact O-N 3.37Å; S72-R100 PolarHBondContact OG-NH2 3.1Å
73E93.8Very high91.4Very high68 Ų6856.2 Ų56.232%0.31830%0.303SS..Hα-helixtrans-61.5-38.9178.7-176-178.2-170.300111.6C68 H69 S70 Y71 D76 I77C68-E73 WeakPolarHBondContact CA-OE2 3.21Å; C68-E73 HydrophobicContact CB-CG 4.21Å; H69-E73 PolarHBondContact N-OE2 3.37Å; H69-E73 IonicContact ND1-OE2 3.07Å; S70-E73 PolarHBondContact O-N 3.27Å; S70-E73 WeakPolarHBondContact OG-CB 2.85Å; S70-E73 PolarHBondContact OG-N 3.31Å; Y71-E73 PolarHBondContact O-N 2.85Å; E73-D76 PolarHBondContact O-N 3.29Å; E73-I77 HydrophobicContact CG-CD1 4.05Å; E73-I77 WeakPolarHBondContact O-CB 3.39Å; E73-I77 WeakPolarHBondContact O-CD1 3.39Å; E73-I77 VanDerWaalsContact O-CG1 3.26Å; E73-I77 WeakPolarHBondContact O-CG1 3.5Å; E73-I77 PolarHBondContact O-N 3.5Å
74I94.6Very high91.7Very high24 Ų2461.5 Ų61.512%0.12332%0.323CS..Hα-helixtrans-63.3-48.3176-67.4155.6000110.7C68 S70 Y71 S72 D76 I77 I78 L140 L145 F168C68-I74 HydrophobicContact CB-CD1 4.29Å; C68-I74 HydrophobicContact CB-CG1 3.61Å; S70-I74 WeakPolarHBondContact O-CD1 3.42Å; S70-I74 WeakPolarHBondContact O-CG1 3.37Å; S70-I74 PolarHBondContact O-N 3.31Å; S70-I74 VanDerWaalsContact O-N 3.13Å; Y71-I74 HydrophobicContact CD1-CD1 4.05Å; Y71-I74 PolarHBondContact O-N 2.97Å; S72-I74 VanDerWaalsContact C-N 3.29Å; S72-I74 PolarHBondContact O-N 3.24Å; I74-D76 VanDerWaalsContact C-N 3.33Å; I74-D76 PolarHBondContact O-N 3.25Å; I74-I77 PolarHBondContact O-N 2.95Å; I74-I78 HydrophobicContact CG2-CD1 4.1Å; I74-I78 WeakPolarHBondContact O-CG1 3.32Å; I74-I78 PolarHBondContact O-N 3.06Å; I74-L140 HydrophobicContact CG2-CD2 3.74Å; I74-L145 HydrophobicContact CD1-CD1 3.44Å; I74-L145 VanDerWaalsContact CD1-CD1 3.44Å; I74-L145 HydrophobicContact CG1-CD1 4.27Å; I74-L145 HydrophobicContact CG2-CD1 4.26Å; I74-F168 HydrophobicContact CB-CZ 4.46Å; I74-F168 HydrophobicContact CG2-CE1 4.28Å; I74-F168 HydrophobicContact CG2-CZ 4.06Å
75T95.8Very high92.2Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-63.2-39.9178.5-520000111.6Y71 S72 I77 I78 A79 V93 F103 L105 I166Y71-T75 PolarHBondContact O-N 2.7Å; Y71-T75 PolarHBondContact O-OG1 2.65Å; S72-T75 PolarHBondContact O-N 3.07Å; T75-I77 PolarHBondContact O-N 3.36Å; T75-I78 WeakPolarHBondContact O-CB 3.09Å; T75-I78 PolarHBondContact O-N 3.48Å; T75-A79 PolarHBondContact O-N 3.41Å; T75-V93 HydrophobicContact CG2-CG1 3.51Å; T75-V93 HydrophobicContact CG2-CG2 4.23Å; T75-F103 HydrophobicContact CG2-CB 3.82Å; T75-F103 HydrophobicContact CG2-CD1 4.44Å; T75-F103 HydrophobicContact CG2-CG 4.19Å; T75-L105 HydrophobicContact CG2-CD2 3.66Å; T75-L105 HydrophobicContact CG2-CG 4.49Å; T75-I166 HydrophobicContact CG2-CD1 4.47Å
76D95.1Very high92.5Very high65 Ų6561.6 Ų61.635%0.34831%0.31SS..Hα-helixtrans-62.5-41.8175-72.7-37.4000111.6S72 E73 I74 I78 A79 Q80S72-D76 WeakPolarHBondContact O-CB 3.36Å; S72-D76 VanDerWaalsContact O-CG 3.31Å; S72-D76 PolarHBondContact O-N 3.37Å; E73-D76 PolarHBondContact O-N 3.29Å; I74-D76 VanDerWaalsContact C-N 3.33Å; I74-D76 PolarHBondContact O-N 3.25Å; D76-I78 VanDerWaalsContact C-N 3.35Å; D76-I78 PolarHBondContact O-N 2.83Å; D76-A79 PolarHBondContact O-N 2.94Å; D76-Q80 WeakPolarHBondContact O-CB 3.47Å; D76-Q80 VanDerWaalsContact O-CG 3.26Å; D76-Q80 WeakPolarHBondContact O-CG 3.35Å; D76-Q80 PolarHBondContact O-N 3.16Å
77I96.2Very high93Very high29 Ų2960.1 Ų60.115%0.14929%0.287CS..Hα-helixtrans-64.1-40.6175.8-73.7162.3000111.3F59 V65 C68 E73 I74 T75 V81 A82F59-I77 HydrophobicContact CE1-CG2 3.98Å; F59-I77 HydrophobicContact CZ-CG2 3.61Å; V65-I77 HydrophobicContact CG1-CD1 3.8Å; V65-I77 HydrophobicContact CG1-CG2 4.32Å; V65-I77 HydrophobicContact CG2-CD1 4.47Å; V65-I77 HydrophobicContact CG2-CG2 3.77Å; C68-I77 WeakPolarHBondContact SG-CD1 3.43Å; E73-I77 HydrophobicContact CG-CD1 4.05Å; E73-I77 WeakPolarHBondContact O-CB 3.39Å; E73-I77 WeakPolarHBondContact O-CD1 3.39Å; E73-I77 VanDerWaalsContact O-CG1 3.26Å; E73-I77 WeakPolarHBondContact O-CG1 3.5Å; E73-I77 PolarHBondContact O-N 3.5Å; I74-I77 PolarHBondContact O-N 2.95Å; T75-I77 PolarHBondContact O-N 3.36Å; I77-V81 HydrophobicContact CG2-CB 4.41Å; I77-V81 HydrophobicContact CG2-CG2 4.43Å; I77-V81 WeakPolarHBondContact O-CA 3.48Å; I77-V81 VanDerWaalsContact O-CB 3.27Å; I77-V81 WeakPolarHBondContact O-CB 3.34Å; I77-V81 PolarHBondContact O-N 2.96Å; I77-A82 PolarHBondContact O-N 3.5Å; I77-A82 VanDerWaalsContact O-N 3.1Å
78I96.6Very high93.4Very high22 Ų2252.5 Ų52.511%0.11328%0.278CS..Iπ-helixtrans-58.2-52174.8-69.3165.6000109.4I74 T75 D76 A82 F83 L105 I136 L140I74-I78 HydrophobicContact CG2-CD1 4.1Å; I74-I78 WeakPolarHBondContact O-CG1 3.32Å; I74-I78 PolarHBondContact O-N 3.06Å; T75-I78 WeakPolarHBondContact O-CB 3.09Å; T75-I78 PolarHBondContact O-N 3.48Å; D76-I78 VanDerWaalsContact C-N 3.35Å; D76-I78 PolarHBondContact O-N 2.83Å; I78-A82 WeakPolarHBondContact O-CB 3.41Å; I78-A82 PolarHBondContact O-N 3.42Å; I78-F83 HydrophobicContact CG2-CD2 3.82Å; I78-F83 HydrophobicContact CG2-CE2 3.76Å; I78-F83 WeakPolarHBondContact O-CD2 3.3Å; I78-F83 PolarHBondContact O-N 3.29Å; I78-L105 HydrophobicContact CG2-CD1 3.9Å; I78-I136 HydrophobicContact CD1-CG2 4.36Å; I78-L140 HydrophobicContact CD1-CD1 4.39Å; I78-L140 HydrophobicContact CD1-CD2 4.09Å; I78-L140 HydrophobicContact CD1-CG 4.42Å
79A96.5Very high93.7Very high0 Ų051.6 Ų51.60%027%0.27CS..Iπ-helixtrans-67.8-48.8-17700000113.6T75 D76 P91 V93 L105T75-A79 PolarHBondContact O-N 3.41Å; D76-A79 PolarHBondContact O-N 2.94Å; A79-P91 HydrophobicContact CB-CB 4.47Å; A79-P91 WeakPolarHBondContact O-CD 3.38Å; A79-V93 HydrophobicContact CB-CG2 3.4Å; A79-V93 VanDerWaalsContact CB-CG2 3.4Å; A79-L105 HydrophobicContact CB-CD2 3.98Å
80Q94.9Very high94.1Very high99 Ų9946.7 Ų46.746%0.46325%0.252SS..Iπ-helixtrans-83.4-30.3-170-62.1-61.7-33.500113.1D76 K84 T90D76-Q80 WeakPolarHBondContact O-CB 3.47Å; D76-Q80 VanDerWaalsContact O-CG 3.26Å; D76-Q80 WeakPolarHBondContact O-CG 3.35Å; D76-Q80 PolarHBondContact O-N 3.16Å; Q80-K84 WeakPolarHBondContact O-CB 3.36Å; Q80-T90 VanDerWaalsContact CD-CG2 3.45Å; Q80-T90 VanDerWaalsContact NE2-CG2 3.29Å
81V95.1Very high94.4Very high47 Ų4744.7 Ų44.729%0.28524%0.238SC..Iπ-helixtrans-111.1-55.8-174-166.60000111.1F59 I77 M85F59-V81 HydrophobicContact CE2-CB 4.17Å; F59-V81 HydrophobicContact CE2-CG1 3.85Å; F59-V81 HydrophobicContact CZ-CB 4.2Å; F59-V81 HydrophobicContact CZ-CG1 4.12Å; I77-V81 HydrophobicContact CG2-CB 4.41Å; I77-V81 HydrophobicContact CG2-CG2 4.43Å; I77-V81 WeakPolarHBondContact O-CA 3.48Å; I77-V81 VanDerWaalsContact O-CB 3.27Å; I77-V81 WeakPolarHBondContact O-CB 3.34Å; I77-V81 PolarHBondContact O-N 2.96Å; V81-M85 HydrophobicContact CG1-CE 4.36Å; V81-M85 WeakPolarHBondContact O-CB 3.15Å; V81-M85 PolarHBondContact O-N 3.29Å
82A95.4Very high94.5Very high17 Ų1744 Ų4414%0.1424%0.243CC..Iπ-helixtrans-69.2-51.7-172.700000112.3F59 I77 I78 K84 M85 Y86F59-A82 HydrophobicContact CD2-CB 4.01Å; F59-A82 HydrophobicContact CE2-CB 3.58Å; F59-A82 HydrophobicContact CZ-CB 4.11Å; I77-A82 PolarHBondContact O-N 3.5Å; I77-A82 VanDerWaalsContact O-N 3.1Å; I78-A82 WeakPolarHBondContact O-CB 3.41Å; I78-A82 PolarHBondContact O-N 3.42Å; A82-K84 VanDerWaalsContact C-N 3.27Å; A82-K84 PolarHBondContact O-N 3.3Å; A82-M85 PolarHBondContact O-N 2.96Å; A82-M85 VanDerWaalsContact O-N 3.16Å; A82-Y86 HydrophobicContact CB-CD2 4.49Å; A82-Y86 VanDerWaalsContact O-CD2 3.25Å; A82-Y86 WeakPolarHBondContact O-CD2 3.49Å; A82-Y86 PolarHBondContact O-N 3.46Å
83F95.4Very high94.6Very high12 Ų1244.6 Ų44.65%0.05325%0.246CC..Hα-helixtrans-60.5-38.7177.1-91.6-95.5000112I78 L87 G88 I89 P91 L105 L107 L132 I136 I164I78-F83 HydrophobicContact CG2-CD2 3.82Å; I78-F83 HydrophobicContact CG2-CE2 3.76Å; I78-F83 WeakPolarHBondContact O-CD2 3.3Å; I78-F83 PolarHBondContact O-N 3.29Å; F83-L87 HydrophobicContact CD1-CD1 3.77Å; F83-L87 HydrophobicContact CE1-CD1 3.82Å; F83-L87 CarbonylContact O-C 3.53Å; F83-L87 WeakPolarHBondContact O-CA 3.39Å; F83-L87 WeakPolarHBondContact O-CB 3.3Å; F83-L87 PolarHBondContact O-N 3.45Å; F83-G88 PolarHBondContact O-N 3.47Å; F83-I89 CarbonylContact C-O 3.59Å; F83-I89 HydrophobicContact CB-CG1 4.41Å; F83-I89 WeakPolarHBondContact CB-O 3.47Å; F83-I89 HydrophobicContact CD1-CD1 3.87Å; F83-I89 HydrophobicContact CD1-CG1 3.93Å; F83-I89 HydrophobicContact CE1-CD1 4.38Å; F83-P91 HydrophobicContact CB-CG 4.01Å; F83-P91 HydrophobicContact CD1-CG 3.65Å; F83-P91 HydrophobicContact CD2-CG 4.09Å; F83-P91 HydrophobicContact CE1-CG 4.09Å; F83-P91 HydrophobicContact CE2-CG 4.48Å; F83-P91 HydrophobicContact CG-CG 3.64Å; F83-P91 HydrophobicContact CZ-CG 4.48Å; F83-L105 HydrophobicContact CE2-CD1 3.77Å; F83-L105 HydrophobicContact CZ-CD1 4.3Å; F83-L107 HydrophobicContact CE1-CD2 4.05Å; F83-L132 HydrophobicContact CE1-CD1 4.43Å; F83-I136 HydrophobicContact CE2-CD1 4.09Å; F83-I136 HydrophobicContact CZ-CD1 4.17Å; F83-I164 HydrophobicContact CZ-CD1 4.48Å
84K92.7Very high94.7Very high133 Ų13344 Ų4458%0.57825%0.247SC*.Hα-helixtrans-66.6-40.5176.4-172174.1-176.8173.60112Q80 A82 G88 I89Q80-K84 WeakPolarHBondContact O-CB 3.36Å; A82-K84 VanDerWaalsContact C-N 3.27Å; A82-K84 PolarHBondContact O-N 3.3Å; K84-G88 WeakPolarHBondContact O-CA 3.48Å; K84-G88 PolarHBondContact O-N 3.35Å; K84-I89 VanDerWaalsContact CA-O 3.24Å; K84-I89 WeakPolarHBondContact CA-O 3.24Å; K84-I89 PolarHBondContact N-O 3.37Å
85M91.4Very high94.5Very high61 Ų6145.8 Ų45.830%0.326%0.261SS..Hα-helixtrans-67.5-43-179.6-177.2179.2-63.400112.4F59 R62 V81 A82F59-M85 HydrophobicContact CD2-CE 4.43Å; F59-M85 HydrophobicContact CD2-SD 4.23Å; R62-M85 HydrophobicContact CB-CE 4.15Å; R62-M85 HydrophobicContact CB-SD 4.29Å; V81-M85 HydrophobicContact CG1-CE 4.36Å; V81-M85 WeakPolarHBondContact O-CB 3.15Å; V81-M85 PolarHBondContact O-N 3.29Å; A82-M85 PolarHBondContact O-N 2.96Å; A82-M85 VanDerWaalsContact O-N 3.16Å
86Y92.3Very high93.8Very high74 Ų7449.6 Ų49.629%0.2928%0.282SS..Hα-helixtrans-99.8-31.9-171.1-63.9-59.1000114.5L55 D58 F59 A82L55-Y86 HydrophobicContact CD1-CD1 4.09Å; L55-Y86 HydrophobicContact CD1-CE1 3.53Å; L55-Y86 HydrophobicContact CD1-CE2 4.14Å; L55-Y86 HydrophobicContact CD2-CD2 4.04Å; L55-Y86 HydrophobicContact CD2-CE2 3.9Å; L55-Y86 HydrophobicContact CD2-CG 4.42Å; L55-Y86 HydrophobicContact CG-CD2 4.47Å; L55-Y86 HydrophobicContact CG-CE1 4.2Å; L55-Y86 HydrophobicContact CG-CE2 3.87Å; L55-Y86 PolarHBondContact O-OH 2.92Å; D58-Y86 PolarHBondContact OD2-OH 3.35Å; F59-Y86 VanDerWaalsContact CA-OH 3.3Å; F59-Y86 WeakPolarHBondContact CA-OH 3.44Å; F59-Y86 HydrophobicContact CB-CE2 4.21Å; F59-Y86 WeakPolarHBondContact CB-OH 3.48Å; F59-Y86 AromaticContact CD2-CE2 3.95Å; F59-Y86 HydrophobicContact CD2-CE2 3.95Å; F59-Y86 HydrophobicContact CG-CE2 4.5Å; F59-Y86 PolarHBondContact N-OH 3.29Å; F59-Y86 VanDerWaalsContact N-OH 3.16Å; A82-Y86 HydrophobicContact CB-CD2 4.49Å; A82-Y86 VanDerWaalsContact O-CD2 3.25Å; A82-Y86 WeakPolarHBondContact O-CD2 3.49Å; A82-Y86 PolarHBondContact O-N 3.46Å
87L91.9Very high93.2Very high31 Ų3148 Ų4816%0.16227%0.273CS..Hα-helixtrans-119-7.1-175.4-65.1177.6000113.4F19 F83 I89 P111 L132F19-L87 HydrophobicContact CE1-CD2 3.93Å; F83-L87 HydrophobicContact CD1-CD1 3.77Å; F83-L87 HydrophobicContact CE1-CD1 3.82Å; F83-L87 CarbonylContact O-C 3.53Å; F83-L87 WeakPolarHBondContact O-CA 3.39Å; F83-L87 WeakPolarHBondContact O-CB 3.3Å; F83-L87 PolarHBondContact O-N 3.45Å; L87-I89 HydrophobicContact CB-CG1 3.99Å; L87-I89 PolarHBondContact O-N 3.39Å; L87-P111 HydrophobicContact CB-CG 4.15Å; L87-P111 HydrophobicContact CD2-CG 4.37Å; L87-L132 HydrophobicContact CD1-CD2 3.91Å
88G91.3Very high92.4Very high63 Ų6352.8 Ų52.865%0.64931%0.309SS*.SBendtrans70.215.717900000114.3F83 K84F83-G88 PolarHBondContact O-N 3.47Å; K84-G88 WeakPolarHBondContact O-CA 3.48Å; K84-G88 PolarHBondContact O-N 3.35Å
89I93.3Very high91.6Very high28 Ų2855.8 Ų55.814%0.14433%0.332CS..  trans-120.4160.4179.462.5163.4000111F83 K84 L87 L107 K109 P111F83-I89 CarbonylContact C-O 3.59Å; F83-I89 HydrophobicContact CB-CG1 4.41Å; F83-I89 WeakPolarHBondContact CB-O 3.47Å; F83-I89 HydrophobicContact CD1-CD1 3.87Å; F83-I89 HydrophobicContact CD1-CG1 3.93Å; F83-I89 HydrophobicContact CE1-CD1 4.38Å; K84-I89 VanDerWaalsContact CA-O 3.24Å; K84-I89 WeakPolarHBondContact CA-O 3.24Å; K84-I89 PolarHBondContact N-O 3.37Å; L87-I89 HydrophobicContact CB-CG1 3.99Å; L87-I89 PolarHBondContact O-N 3.39Å; I89-L107 HydrophobicContact CD1-CD2 3.88Å; I89-L107 HydrophobicContact CD1-CG 4.16Å; I89-K109 WeakPolarHBondContact CD1-O 3.24Å; I89-P111 HydrophobicContact CG2-CG 4.41Å
90T96.3Very high91.1Very high62 Ų6262.2 Ų62.238%0.3836%0.356SS..  trans-128.199175.7-63.70000108.2Q80Q80-T90 VanDerWaalsContact CD-CG2 3.45Å; Q80-T90 VanDerWaalsContact NE2-CG2 3.29Å
91P96.3Very high90.9Very high2 Ų259 Ų591%0.01334%0.343CS..  trans-62.8152.1174-19.631.8000111.6A79 F83 L105 I106 L107A79-P91 HydrophobicContact CB-CB 4.47Å; A79-P91 WeakPolarHBondContact O-CD 3.38Å; F83-P91 HydrophobicContact CB-CG 4.01Å; F83-P91 HydrophobicContact CD1-CG 3.65Å; F83-P91 HydrophobicContact CD2-CG 4.09Å; F83-P91 HydrophobicContact CE1-CG 4.09Å; F83-P91 HydrophobicContact CE2-CG 4.48Å; F83-P91 HydrophobicContact CG-CG 3.64Å; F83-P91 HydrophobicContact CZ-CG 4.48Å; P91-L105 HydrophobicContact CB-CB 4.21Å; P91-I106 CarbonylContact C-O 3.08Å; P91-I106 VanDerWaalsContact CA-O 3.22Å; P91-I106 WeakPolarHBondContact CA-O 3.42Å; P91-I106 WeakPolarHBondContact CB-O 3.44Å; P91-L107 HydrophobicContact CB-CD1 4.15Å; P91-L107 HydrophobicContact CB-CG 4.31Å; P91-L107 HydrophobicContact CG-CD1 4.21Å; P91-L107 HydrophobicContact CG-CG 4.11Å
92S96.3Very high90.9Very high60 Ų6060.4 Ų60.442%0.4235%0.346SS..EExtended strand (participates in β ladder)trans-81.8141.9168.4-64.40000109.9L105 I106S92-L105 WeakPolarHBondContact O-CA 3.36Å; S92-I106 PolarHBondContact N-O 2.87Å; S92-I106 PolarHBondContact O-N 2.95Å
93V96.4Very high91Very high40 Ų4059.7 Ų59.724%0.24234%0.34CS..EExtended strand (participates in β ladder)trans-107.5129.6-179.4-176.30000109.9T75 A79 F103 S104 L105T75-V93 HydrophobicContact CG2-CG1 3.51Å; T75-V93 HydrophobicContact CG2-CG2 4.23Å; A79-V93 HydrophobicContact CB-CG2 3.4Å; A79-V93 VanDerWaalsContact CB-CG2 3.4Å; V93-F103 HydrophobicContact CG1-CD1 4.4Å; V93-S104 WeakPolarHBondContact CA-O 3.35Å; V93-L105 HydrophobicContact CG2-CD2 3.8Å
94T94.6Very high91.1Very high56 Ų5659.1 Ų59.134%0.34434%0.337SS..EExtended strand (participates in β ladder)trans-124.1151.3170580000110.8F103 S104 I106T94-F103 CarbonylContact O-C 3.52Å; T94-F103 WeakPolarHBondContact O-CA 3.25Å; T94-S104 PolarHBondContact N-O 3.16Å; T94-S104 PolarHBondContact O-N 2.99Å; T94-S104 WeakPolarHBondContact OG1-CB 3.41Å; T94-I106 HydrophobicContact CG2-CD1 3.89Å
95C90.4Very high91.3Very high60 Ų6052.8 Ų52.841%0.40531%0.31SS..EExtended strand (participates in β ladder)trans-107.9121.3176.3-176.30000108.3N97 F103C95-N97 PolarHBondContact SG-O 3Å; C95-N97 VanDerWaalsContact SG-O 3.38Å; C95-F103 HydrophobicContact CB-CD1 4.08Å; C95-F103 HydrophobicContact CB-CE1 4.08Å
96N81.2Confident91.5Very high81 Ų8151.6 Ų51.643%0.43330%0.304SS..  trans-93-12.7-168-63.7-10.6000113.1E102 S104N96-E102 HydrophobicContact CB-CB 4.33Å; N96-E102 PolarHBondContact N-O 3.13Å; N96-S104 PolarHBondContact ND2-OG 3.34Å
97N83.8Confident91.6Very high30 Ų3048.1 Ų48.116%0.1629%0.29CS..SBendtrans-139.8157.4-175.868.711.1000114.3C95 S99 R100 N101 E102C95-N97 PolarHBondContact SG-O 3Å; C95-N97 VanDerWaalsContact SG-O 3.38Å; N97-S99 PolarHBondContact ND2-OG 3.49Å; N97-S99 PolarHBondContact O-N 3.41Å; N97-S99 PolarHBondContact OD1-OG 2.7Å; N97-R100 PolarHBondContact O-N 2.89Å; N97-R100 WeakPolarHBondContact OD1-CA 3.3Å; N97-R100 PolarHBondContact OD1-N 3.21Å; N97-N101 PolarHBondContact ND2-OD1 3.16Å; N97-N101 PolarHBondContact OD1-N 3.32Å; N97-N101 VanDerWaalsContact OD1-N 3.11Å; N97-N101 PolarHBondContact OD1-OD1 3.17Å; N97-E102 HydrophobicContact CB-CB 4.5Å; N97-E102 WeakPolarHBondContact ND2-CB 3.29Å; N97-E102 WeakPolarHBondContact ND2-CG 3.37Å; N97-E102 PolarHBondContact ND2-OE1 3.25Å; N97-E102 PolarHBondContact OD1-N 3.33Å
98S79.3Confident91.4Very high130 Ų13050.8 Ų50.891%0.90931%0.305SS*.THydrogen-bonded Turntrans-69.6-22.5177.1-48.70000112.9R100S98-R100 PolarHBondContact O-N 3.46Å
99S79.3Confident91.2Very high86 Ų8656 Ų5660%0.60131%0.309SS*.THydrogen-bonded Turntrans-74.9-6175.339.90000113.8N97 N101N97-S99 PolarHBondContact ND2-OG 3.49Å; N97-S99 PolarHBondContact O-N 3.41Å; N97-S99 PolarHBondContact OD1-OG 2.7Å; S99-N101 VanDerWaalsContact CB-OD1 3.26Å; S99-N101 WeakPolarHBondContact CB-OD1 3.36Å; S99-N101 PolarHBondContact O-N 2.91Å; S99-N101 PolarHBondContact OG-OD1 3.02Å
100R85.8Confident90.9Very high134 Ų13455.3 Ų55.351%0.50631%0.306SS..SBendtrans51.539.7176-55.6-173.471.9-143.42113.1S72 N97 S98 F103S72-R100 PolarHBondContact OG-NH2 3.1Å; N97-R100 PolarHBondContact O-N 2.89Å; N97-R100 WeakPolarHBondContact OD1-CA 3.3Å; N97-R100 PolarHBondContact OD1-N 3.21Å; S98-R100 PolarHBondContact O-N 3.46Å; R100-F103 WeakPolarHBondContact O-CE2 3.36Å; R100-F103 WeakPolarHBondContact O-CZ 3.41Å
101N91.5Very high90.6Very high33 Ų3352.7 Ų52.718%0.17629%0.29CS..  trans-124.8-4.7176.971.5-51.9000113Y71 N97 S99 T167 F168Y71-N101 HydrophobicContact CD2-CB 4.2Å; Y71-N101 HydrophobicContact CE2-CB 4.34Å; N97-N101 PolarHBondContact ND2-OD1 3.16Å; N97-N101 PolarHBondContact OD1-N 3.32Å; N97-N101 VanDerWaalsContact OD1-N 3.11Å; N97-N101 PolarHBondContact OD1-OD1 3.17Å; S99-N101 VanDerWaalsContact CB-OD1 3.26Å; S99-N101 WeakPolarHBondContact CB-OD1 3.36Å; S99-N101 PolarHBondContact O-N 2.91Å; S99-N101 PolarHBondContact OG-OD1 3.02Å; N101-T167 WeakPolarHBondContact O-CA 3.34Å; N101-F168 HydrophobicContact CB-CB 4.39Å; N101-F168 PolarHBondContact O-N 3.23Å
102E95.1Very high90.3Very high75 Ų7552.6 Ų52.635%0.3529%0.29SS..EExtended strand (participates in β ladder)trans-117.9125.8172.4-68.3163.4-143.300109.7N96 N97 I166 T167N96-E102 HydrophobicContact CB-CB 4.33Å; N96-E102 PolarHBondContact N-O 3.13Å; N97-E102 HydrophobicContact CB-CB 4.5Å; N97-E102 WeakPolarHBondContact ND2-CB 3.29Å; N97-E102 WeakPolarHBondContact ND2-CG 3.37Å; N97-E102 PolarHBondContact ND2-OE1 3.25Å; N97-E102 PolarHBondContact OD1-N 3.33Å; E102-I166 WeakPolarHBondContact CA-O 3.46Å; E102-T167 HydrophobicContact CG-CG2 3.75Å
103F96.9Very high90Very high3 Ų351 Ų511%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-132153.6-177.9-58.8-95.3000109.9T75 V93 T94 C95 R100 G165 I166 F168T75-F103 HydrophobicContact CG2-CB 3.82Å; T75-F103 HydrophobicContact CG2-CD1 4.44Å; T75-F103 HydrophobicContact CG2-CG 4.19Å; V93-F103 HydrophobicContact CG1-CD1 4.4Å; T94-F103 CarbonylContact O-C 3.52Å; T94-F103 WeakPolarHBondContact O-CA 3.25Å; C95-F103 HydrophobicContact CB-CD1 4.08Å; C95-F103 HydrophobicContact CB-CE1 4.08Å; R100-F103 WeakPolarHBondContact O-CE2 3.36Å; R100-F103 WeakPolarHBondContact O-CZ 3.41Å; F103-G165 CarbonylContact O-C 3.55Å; F103-G165 WeakPolarHBondContact O-CA 3.37Å; F103-I166 PolarHBondContact N-O 3.21Å; F103-I166 PolarHBondContact O-N 2.77Å; F103-F168 AromaticContact CD2-CD2 3.87Å; F103-F168 HydrophobicContact CD2-CD2 3.87Å; F103-F168 AromaticContact CD2-CE2 3.65Å; F103-F168 HydrophobicContact CD2-CE2 3.65Å; F103-F168 AromaticContact CE2-CD2 3.88Å; F103-F168 HydrophobicContact CE2-CD2 3.88Å; F103-F168 AromaticContact CE2-CE2 3.84Å; F103-F168 HydrophobicContact CE2-CE2 3.84Å
104S96.8Very high89.6Confident0 Ų054.2 Ų54.20%029%0.289CS..EExtended strand (participates in β ladder)trans-119139.7170.7-68.50000110.9V93 T94 N96 E163 I164V93-S104 WeakPolarHBondContact CA-O 3.35Å; T94-S104 PolarHBondContact N-O 3.16Å; T94-S104 PolarHBondContact O-N 2.99Å; T94-S104 WeakPolarHBondContact OG1-CB 3.41Å; N96-S104 PolarHBondContact ND2-OG 3.34Å; S104-E163 WeakPolarHBondContact CB-OE1 3.15Å; S104-E163 PolarHBondContact OG-OE1 2.96Å; S104-I164 CarbonylContact C-O 3.6Å; S104-I164 WeakPolarHBondContact CA-O 3.35Å
105L97.1Very high89.3Confident0 Ų056.7 Ų56.70%030%0.296CS..EExtended strand (participates in β ladder)trans-102.9114.4167.4-59.9-179000108.2T75 I78 A79 F83 P91 S92 V93 L107 I136 E163 I164 I166T75-L105 HydrophobicContact CG2-CD2 3.66Å; T75-L105 HydrophobicContact CG2-CG 4.49Å; I78-L105 HydrophobicContact CG2-CD1 3.9Å; A79-L105 HydrophobicContact CB-CD2 3.98Å; F83-L105 HydrophobicContact CE2-CD1 3.77Å; F83-L105 HydrophobicContact CZ-CD1 4.3Å; P91-L105 HydrophobicContact CB-CB 4.21Å; S92-L105 WeakPolarHBondContact O-CA 3.36Å; V93-L105 HydrophobicContact CG2-CD2 3.8Å; L105-L107 HydrophobicContact CB-CD1 4.23Å; L105-L107 WeakPolarHBondContact O-CD1 3.24Å; L105-I136 HydrophobicContact CD1-CD1 4.15Å; L105-E163 WeakPolarHBondContact O-CA 3.21Å; L105-I164 HydrophobicContact CB-CB 4.33Å; L105-I164 PolarHBondContact N-O 2.96Å; L105-I164 PolarHBondContact O-N 3.37Å; L105-I166 HydrophobicContact CD1-CD1 3.7Å; L105-I166 HydrophobicContact CG-CD1 3.97Å
106I96.8Very high89.2Confident35 Ų3555.3 Ų55.318%0.17929%0.286CS..EExtended strand (participates in β ladder)trans-99.3116.9179.8-58.8165.7000108.7P91 S92 T94 V161 E163P91-I106 CarbonylContact C-O 3.08Å; P91-I106 VanDerWaalsContact CA-O 3.22Å; P91-I106 WeakPolarHBondContact CA-O 3.42Å; P91-I106 WeakPolarHBondContact CB-O 3.44Å; S92-I106 PolarHBondContact N-O 2.87Å; S92-I106 PolarHBondContact O-N 2.95Å; T94-I106 HydrophobicContact CG2-CD1 3.89Å; I106-V161 HydrophobicContact CG2-CB 3.97Å; I106-V161 HydrophobicContact CG2-CG1 4.16Å; I106-V161 HydrophobicContact CG2-CG2 4.03Å; I106-E163 HydrophobicContact CG1-CG 4.29Å
107L94.3Very high89Confident2 Ų260.8 Ų60.81%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-101.2100-179.6-71.673.3000109.3F83 I89 P91 L105 K109 N110 L132 T162 I164F83-L107 HydrophobicContact CE1-CD2 4.05Å; I89-L107 HydrophobicContact CD1-CD2 3.88Å; I89-L107 HydrophobicContact CD1-CG 4.16Å; P91-L107 HydrophobicContact CB-CD1 4.15Å; P91-L107 HydrophobicContact CB-CG 4.31Å; P91-L107 HydrophobicContact CG-CD1 4.21Å; P91-L107 HydrophobicContact CG-CG 4.11Å; L105-L107 HydrophobicContact CB-CD1 4.23Å; L105-L107 WeakPolarHBondContact O-CD1 3.24Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.98Å; L107-N110 HydrophobicContact CD2-CB 4.34Å; L107-L132 HydrophobicContact CD2-CD1 4.42Å; L107-T162 HydrophobicContact CB-CG2 4.39Å; L107-T162 PolarHBondContact N-O 3.02Å; L107-I164 HydrophobicContact CD1-CD1 4.06Å; L107-I164 HydrophobicContact CD1-CG1 4.27Å
108D87Confident88.9Confident86 Ų8666.9 Ų66.946%0.4634%0.336SS..SBendtrans-68.1-33.2176-63.8-42.2000112.7R155D108-R155 PolarHBondContact O-NH1 2.87Å
109K86.1Confident89.2Confident172 Ų17261.8 Ų61.875%0.74830%0.299SS*.SBendtrans-130.7110.6176.4-66.9-174.6-179.9-176.50108.3I89 L107I89-K109 WeakPolarHBondContact CD1-O 3.24Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.98Å
110N88.4Confident89.3Confident15 Ų1561.4 Ų61.48%0.0829%0.294CS..  trans-100113.2175.41790.2000109.3L107 L112 V113 C129L107-N110 HydrophobicContact CD2-CB 4.34Å; N110-L112 PolarHBondContact O-N 3.18Å; N110-L112 WeakPolarHBondContact OD1-CB 3.41Å; N110-L112 PolarHBondContact OD1-N 3.07Å; N110-L112 VanDerWaalsContact OD1-N 3.1Å; N110-V113 HydrophobicContact CB-CG2 3.83Å; N110-V113 WeakPolarHBondContact O-CG2 3.39Å; N110-V113 PolarHBondContact O-N 3.45Å; N110-C129 PolarHBondContact ND2-SG 3.32Å
111P89.4Confident89.1Confident6 Ų660.2 Ų60.24%0.03931%0.313CS..G310 helixtrans-65.9-26.2-176.327.6-36000113.1V20 L87 I89 V113 E114V20-P111 WeakPolarHBondContact CG2-O 3.39Å; L87-P111 HydrophobicContact CB-CG 4.15Å; L87-P111 HydrophobicContact CD2-CG 4.37Å; I89-P111 HydrophobicContact CG2-CG 4.41Å; P111-V113 PolarHBondContact O-N 3.49Å; P111-E114 PolarHBondContact O-N 2.79Å
112L90.2Very high88.7Confident1 Ų162.2 Ų62.21%0.00534%0.341CS..G310 helixtrans-70.2-19.6-176.9-65.1179.2000113F19 Y23 N110 Y128 C129 L132F19-L112 HydrophobicContact CD1-CD2 4.11Å; F19-L112 HydrophobicContact CE1-CD2 3.45Å; F19-L112 VanDerWaalsContact CE1-CD2 3.45Å; F19-L112 HydrophobicContact CZ-CD2 4.12Å; Y23-L112 HydrophobicContact CD1-CB 4.18Å; Y23-L112 HydrophobicContact CD1-CD1 4.4Å; Y23-L112 HydrophobicContact CD1-CD2 4.05Å; Y23-L112 HydrophobicContact CD1-CG 4.45Å; Y23-L112 HydrophobicContact CE1-CB 4.34Å; Y23-L112 HydrophobicContact CE1-CD1 4.19Å; Y23-L112 HydrophobicContact CG-CD2 4.22Å; N110-L112 PolarHBondContact O-N 3.18Å; N110-L112 WeakPolarHBondContact OD1-CB 3.41Å; N110-L112 PolarHBondContact OD1-N 3.07Å; N110-L112 VanDerWaalsContact OD1-N 3.1Å; L112-Y128 WeakPolarHBondContact O-CE1 3.49Å; L112-C129 HydrophobicContact CD1-CB 4.48Å; L112-L132 HydrophobicContact CD1-CD1 4.02Å; L112-L132 HydrophobicContact CD1-CD2 4.02Å; L112-L132 HydrophobicContact CD1-CG 3.98Å
113V90.2Very high88.3Confident26 Ų2660.3 Ų60.316%0.15833%0.331CS..G310 helixtrans-110.111.2-176.3-53.90000112.3N110 P111 F115 V116 Y128 L156N110-V113 HydrophobicContact CB-CG2 3.83Å; N110-V113 WeakPolarHBondContact O-CG2 3.39Å; N110-V113 PolarHBondContact O-N 3.45Å; P111-V113 PolarHBondContact O-N 3.49Å; V113-F115 PolarHBondContact O-N 2.88Å; V113-F115 VanDerWaalsContact O-N 3.15Å; V113-V116 HydrophobicContact CB-CB 4.32Å; V113-V116 PolarHBondContact O-N 2.95Å; V113-Y128 HydrophobicContact CG1-CD1 3.72Å; V113-Y128 HydrophobicContact CG1-CE1 4.07Å; V113-L156 HydrophobicContact CB-CD1 4.16Å; V113-L156 HydrophobicContact CB-CD2 4.32Å; V113-L156 HydrophobicContact CB-CG 4.39Å; V113-L156 HydrophobicContact CG1-CD1 3.57Å; V113-L156 HydrophobicContact CG1-CG 4.14Å
114E87.8Confident87.9Confident107 Ų10764.9 Ų64.950%0.536%0.363SS..THydrogen-bonded Turntrans-59.1-29.7-175.4-175.1165.6-174.300113.4K16 P111K16-E114 IonicContact NZ-OE2 2.65Å; K16-E114 PolarHBondContact NZ-OE2 2.8Å; P111-E114 PolarHBondContact O-N 2.79Å
115F88.1Confident87.7Confident108 Ų10867 Ų6747%0.47438%0.378SS..THydrogen-bonded Turntrans-110.717.3177.2-53.2-63.4000113.1D17 V20 L21 V113D17-F115 HydrophobicContact CB-CE2 4.3Å; V20-F115 HydrophobicContact CB-CD2 4.31Å; V20-F115 HydrophobicContact CB-CE2 4.37Å; V20-F115 HydrophobicContact CG1-CD2 3.67Å; V20-F115 HydrophobicContact CG1-CE2 4.16Å; L21-F115 HydrophobicContact CD2-CD2 4.24Å; V113-F115 PolarHBondContact O-N 2.88Å; V113-F115 VanDerWaalsContact O-N 3.15Å
116V88.1Confident87.6Confident32 Ų3267 Ų6719%0.19438%0.378CS..  trans-116.1104.1-179.4-174.30000108V113 Y128 L156V113-V116 HydrophobicContact CB-CB 4.32Å; V113-V116 PolarHBondContact O-N 2.95Å; V116-Y128 HydrophobicContact CG1-CE2 4.47Å; V116-Y128 HydrophobicContact CG2-CE1 4.09Å; V116-Y128 HydrophobicContact CG2-CE2 4.08Å; V116-Y128 WeakPolarHBondContact CG2-OH 3.49Å; V116-L156 HydrophobicContact CB-CD2 4.28Å; V116-L156 HydrophobicContact CG1-CD1 3.97Å; V116-L156 HydrophobicContact CG1-CD2 3.89Å; V116-L156 WeakPolarHBondContact O-CD2 3.49Å
117E77.9Confident87.5Confident195 Ų19566.3 Ų66.391%0.91138%0.376SS*.  trans-79.7-40.9179.1-64.7-176.3170.800111.6
118E80.9Confident87.5Confident158 Ų15867 Ų6774%0.73838%0.379SS*.SBendtrans-150.6157.5-178.359.3-178-171.900112.3
119L86.4Confident87.9Confident24 Ų2463 Ų6313%0.12636%0.357CS..PPolyproline II helixtrans-75.2145.9171.4-61.2175.7000109.9R123 L126 Y128 L156 K157L119-R123 WeakPolarHBondContact CD1-O 3.12Å; L119-L126 HydrophobicContact CD2-CD2 4.22Å; L119-Y128 HydrophobicContact CD2-CD2 4.37Å; L119-L156 HydrophobicContact CD1-CB 4.33Å; L119-L156 HydrophobicContact CD2-CB 4.14Å; L119-L156 HydrophobicContact CD2-CD1 3.95Å; L119-L156 HydrophobicContact CG-CB 4.02Å; L119-K157 HydrophobicContact CD1-CG 4Å
120P81.3Confident88.4Confident77 Ų7755.9 Ų55.950%0.533%0.327SS..PPolyproline II helixtrans-55.3146.7175.6-23.232.3000112.3G122 R123P120-G122 PolarHBondContact O-N 3.43Å; P120-R123 HydrophobicContact CB-CG 3.93Å; P120-R123 HydrophobicContact CG-CG 4.34Å; P120-R123 VanDerWaalsContact O-CB 3.24Å; P120-R123 WeakPolarHBondContact O-CB 3.38Å; P120-R123 PolarHBondContact O-N 3.22Å
121A80.6Confident88.8Confident109 Ų10955.6 Ų55.690%0.90133%0.326SS*.THydrogen-bonded Turntrans-54.1131.9178.200000111.4
122G82.9Confident89.2Confident76 Ų7655.9 Ų55.978%0.78433%0.327SS*.THydrogen-bonded Turntrans84.90.8-176.600000115.3P120P120-G122 PolarHBondContact O-N 3.43Å
123R88.2Confident89.6Confident34 Ų3455.8 Ų55.813%0.12833%0.327CS..  trans-104.747.3178.5-59.6-68.5-173.1175.9-4.8113.1C31 Y34 E35 D37 L119 P120 L126C31-R123 PolarHBondContact O-NH2 3.43Å; Y34-R123 PolarHBondContact O-NH1 2.87Å; Y34-R123 PolarHBondContact O-NH2 3.43Å; E35-R123 PolarHBondContact O-NH1 2.89Å; E35-R123 VanDerWaalsContact O-NH1 3.12Å; D37-R123 WeakPolarHBondContact OD1-CD 3.46Å; D37-R123 IonicContact OD1-CZ 3.59Å; D37-R123 IonicContact OD1-NE 3.65Å; D37-R123 IonicContact OD1-NH1 2.75Å; D37-R123 PolarHBondContact OD1-NH1 3.16Å; D37-R123 WeakPolarHBondContact OD2-CA 3.38Å; L119-R123 WeakPolarHBondContact CD1-O 3.12Å; P120-R123 HydrophobicContact CB-CG 3.93Å; P120-R123 HydrophobicContact CG-CG 4.34Å; P120-R123 VanDerWaalsContact O-CB 3.24Å; P120-R123 WeakPolarHBondContact O-CB 3.38Å; P120-R123 PolarHBondContact O-N 3.22Å; R123-L126 HydrophobicContact CB-CB 4.16Å; R123-L126 HydrophobicContact CB-CD2 4.33Å
124S88.4Confident89.9Confident99 Ų9954.6 Ų54.669%0.69232%0.319SS*.SBendtrans-76.2-24.8-173.456.90000114.1D37 K157D37-S124 PolarHBondContact OD2-N 3.48Å; S124-K157 WeakPolarHBondContact O-CE 3.41Å
125S91.8Very high90.5Very high44 Ų4451 Ų5131%0.30830%0.303SS..SBendtrans-90.4-9.6177.149.40000112.9D37 E38 N41 C127 K157D37-S125 WeakPolarHBondContact CB-OG 3.12Å; D37-S125 PolarHBondContact OD2-N 3.21Å; D37-S125 PolarHBondContact OD2-OG 2.91Å; E38-S125 PolarHBondContact OE1-OG 3.46Å; N41-S125 PolarHBondContact ND2-O 3.05Å; S125-C127 PolarHBondContact O-N 3.47Å; S125-K157 PolarHBondContact O-NZ 3.39Å; S125-K157 VanDerWaalsContact O-NZ 3.09Å
126L94.1Very high90.9Very high1 Ų146.3 Ų46.31%0.00528%0.283CS..  trans-58.1119.2175.5-178.564000111.9V27 D37 V40 L119 R123 Y128 K157V27-L126 HydrophobicContact CG1-CD2 4.3Å; D37-L126 HydrophobicContact CB-CB 4.37Å; D37-L126 PolarHBondContact OD2-N 3.46Å; V40-L126 HydrophobicContact CB-CD1 3.96Å; V40-L126 HydrophobicContact CG1-CD1 3.46Å; V40-L126 VanDerWaalsContact CG1-CD1 3.46Å; L119-L126 HydrophobicContact CD2-CD2 4.22Å; R123-L126 HydrophobicContact CB-CB 4.16Å; R123-L126 HydrophobicContact CB-CD2 4.33Å; L126-Y128 PolarHBondContact O-N 2.88Å; L126-K157 WeakPolarHBondContact O-CE 3.05Å; L126-K157 PolarHBondContact O-NZ 2.79Å
127C94.9Very high91.4Very high21 Ų2147.4 Ų47.414%0.14228%0.284CS..  trans-91.991.7168.8-67.60000107.6N41 S125 C129 N130 F151 K157N41-C127 WeakPolarHBondContact OD1-CB 3.2Å; N41-C127 PolarHBondContact OD1-N 3.39Å; S125-C127 PolarHBondContact O-N 3.47Å; C127-C129 PolarHBondContact O-N 3.47Å; C127-N130 HydrophobicContact CB-CB 3.88Å; C127-N130 WeakPolarHBondContact O-CB 3.27Å; C127-N130 PolarHBondContact O-N 3.03Å; C127-F151 HydrophobicContact CB-CD2 4.43Å; C127-K157 PolarHBondContact SG-NZ 3Å
128Y94.9Very high92.4Very high17 Ų1738.1 Ų38.17%0.06724%0.24CC..THydrogen-bonded Turntrans-54.8-34.8-171.5-176.3-91.4000112.8Y23 G24 V27 L112 V113 V116 L119 L126 L156Y23-Y128 AromaticContact CD1-CE1 3.67Å; Y23-Y128 HydrophobicContact CD1-CE1 3.67Å; Y23-Y128 AromaticContact CE1-CD1 3.83Å; Y23-Y128 HydrophobicContact CE1-CD1 3.83Å; Y23-Y128 AromaticContact CE1-CE1 3.42Å; Y23-Y128 HydrophobicContact CE1-CE1 3.42Å; Y23-Y128 VanDerWaalsContact CE1-CE1 3.42Å; Y23-Y128 AromaticContact CE1-CZ 4Å; Y23-Y128 WeakPolarHBondContact CE1-O 3.29Å; Y23-Y128 VanDerWaalsContact CZ-O 3.31Å; Y23-Y128 PolarHBondContact OH-O 2.83Å; G24-Y128 WeakPolarHBondContact CA-OH 3.32Å; V27-Y128 HydrophobicContact CB-CD2 4.34Å; V27-Y128 HydrophobicContact CB-CE2 3.89Å; V27-Y128 HydrophobicContact CG1-CD2 3.73Å; V27-Y128 HydrophobicContact CG1-CE2 3.72Å; V27-Y128 HydrophobicContact CG2-CD2 4.39Å; V27-Y128 HydrophobicContact CG2-CE2 4.07Å; L112-Y128 WeakPolarHBondContact O-CE1 3.49Å; V113-Y128 HydrophobicContact CG1-CD1 3.72Å; V113-Y128 HydrophobicContact CG1-CE1 4.07Å; V116-Y128 HydrophobicContact CG1-CE2 4.47Å; V116-Y128 HydrophobicContact CG2-CE1 4.09Å; V116-Y128 HydrophobicContact CG2-CE2 4.08Å; V116-Y128 WeakPolarHBondContact CG2-OH 3.49Å; L119-Y128 HydrophobicContact CD2-CD2 4.37Å; L126-Y128 PolarHBondContact O-N 2.88Å; Y128-L156 HydrophobicContact CD1-CD1 4.07Å; Y128-L156 HydrophobicContact CD2-CD1 4.45Å; Y128-L156 HydrophobicContact CG-CD1 3.79Å
129C95Very high93.2Very high1 Ų131.8 Ų31.81%0.00722%0.215CC..THydrogen-bonded Turntrans-9919.8-179.5-68.40000114.5N110 L112 C127 L131 L132 F151N110-C129 PolarHBondContact ND2-SG 3.32Å; L112-C129 HydrophobicContact CD1-CB 4.48Å; C127-C129 PolarHBondContact O-N 3.47Å; C129-L131 PolarHBondContact O-N 3.09Å; C129-L132 HydrophobicContact CB-CD1 4.23Å; C129-L132 HydrophobicContact CB-CG 4.49Å; C129-L132 WeakPolarHBondContact O-CB 3.36Å; C129-L132 PolarHBondContact O-N 3.22Å; C129-F151 VanDerWaalsContact C-CE2 3.44Å; C129-F151 HydrophobicContact CB-CE1 4.05Å; C129-F151 HydrophobicContact CB-CE2 4.11Å; C129-F151 HydrophobicContact CB-CZ 3.39Å; C129-F151 WeakPolarHBondContact O-CE2 3.47Å; C129-F151 WeakPolarHBondContact O-CZ 3.29Å
130N96.7Very high93.6Very high22 Ų2231 Ų3112%0.11821%0.211CC..Hα-helixtrans-59.7-18.2-176-146.838.5000114.1N41 L44 C127 L132 C133 G134N41-N130 PolarHBondContact O-ND2 3.08Å; L44-N130 HydrophobicContact CB-CB 4.06Å; L44-N130 HydrophobicContact CD1-CB 4.4Å; C127-N130 HydrophobicContact CB-CB 3.88Å; C127-N130 WeakPolarHBondContact O-CB 3.27Å; C127-N130 PolarHBondContact O-N 3.03Å; N130-L132 PolarHBondContact O-N 3.49Å; N130-C133 WeakPolarHBondContact O-CB 3.42Å; N130-C133 PolarHBondContact O-N 2.79Å; N130-G134 PolarHBondContact O-N 3.32Å
131L97.6Very high94.3Very high10 Ų1031.8 Ų31.85%0.05221%0.208CC..Hα-helixtrans-51.8-40.3168.9-171.382.8000112Y23 M47 G48 I51 C129 C133 G134 I135Y23-L131 HydrophobicContact CD2-CD2 4.04Å; Y23-L131 HydrophobicContact CE2-CB 3.83Å; Y23-L131 HydrophobicContact CE2-CD2 3.61Å; Y23-L131 HydrophobicContact CE2-CG 4.21Å; Y23-L131 WeakPolarHBondContact OH-CB 3.47Å; M47-L131 HydrophobicContact CB-CD1 4.03Å; M47-L131 HydrophobicContact CG-CD1 3.91Å; M47-L131 HydrophobicContact SD-CD1 4.03Å; G48-L131 WeakPolarHBondContact CA-O 3.35Å; I51-L131 HydrophobicContact CD1-CD1 4.11Å; C129-L131 PolarHBondContact O-N 3.09Å; L131-C133 VanDerWaalsContact C-N 3.34Å; L131-C133 PolarHBondContact O-N 3.1Å; L131-G134 PolarHBondContact O-N 2.81Å; L131-I135 HydrophobicContact CD2-CD1 4.03Å; L131-I135 HydrophobicContact CG-CD1 3.98Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.42Å
132L97.3Very high95Very high11 Ų1130.8 Ų30.86%0.05819%0.185CC..Hα-helixtrans-64.3-38.2-178.6-63.4-177.7000112.1F83 L87 L107 L112 C129 N130 G134 I135 I136 I164F83-L132 HydrophobicContact CE1-CD1 4.43Å; L87-L132 HydrophobicContact CD1-CD2 3.91Å; L107-L132 HydrophobicContact CD2-CD1 4.42Å; L112-L132 HydrophobicContact CD1-CD1 4.02Å; L112-L132 HydrophobicContact CD1-CD2 4.02Å; L112-L132 HydrophobicContact CD1-CG 3.98Å; C129-L132 HydrophobicContact CB-CD1 4.23Å; C129-L132 HydrophobicContact CB-CG 4.49Å; C129-L132 WeakPolarHBondContact O-CB 3.36Å; C129-L132 PolarHBondContact O-N 3.22Å; N130-L132 PolarHBondContact O-N 3.49Å; L132-G134 VanDerWaalsContact C-N 3.35Å; L132-I135 HydrophobicContact CD2-CD1 4.43Å; L132-I135 PolarHBondContact O-N 2.85Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.43Å; L132-I136 PolarHBondContact O-N 2.8Å; L132-I164 HydrophobicContact CB-CD1 4.1Å; L132-I164 HydrophobicContact CD1-CD1 4.17Å
133C97.9Very high95.4Very high0 Ų029.9 Ų29.90%017%0.165CC..Hα-helixtrans-59.7-48.3175.4-67.80000110.8N130 L131 I135 I136 R137 V149 F151N130-C133 WeakPolarHBondContact O-CB 3.42Å; N130-C133 PolarHBondContact O-N 2.79Å; L131-C133 VanDerWaalsContact C-N 3.34Å; L131-C133 PolarHBondContact O-N 3.1Å; C133-I135 PolarHBondContact O-N 3.26Å; C133-I136 PolarHBondContact O-N 2.96Å; C133-R137 VanDerWaalsContact O-CB 3.3Å; C133-R137 WeakPolarHBondContact O-CB 3.39Å; C133-R137 PolarHBondContact O-N 2.91Å; C133-V149 HydrophobicContact CB-CB 4.25Å; C133-V149 HydrophobicContact CB-CG1 3.95Å; C133-F151 WeakPolarHBondContact SG-CD2 3.4Å; C133-F151 WeakPolarHBondContact SG-CE2 3.47Å
134G98.1Very high95.6Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-57.5-47.5175.300000112.4D45 G48 Y49 N130 L131 L132 I136 R137 G138D45-G134 VanDerWaalsContact O-CA 3.29Å; D45-G134 WeakPolarHBondContact O-CA 3.12Å; D45-G134 VanDerWaalsContact OD1-CA 3.24Å; D45-G134 WeakPolarHBondContact OD1-CA 3.39Å; D45-G134 PolarHBondContact OD1-N 2.98Å; G48-G134 CarbonylContact C-O 3.17Å; G48-G134 CarbonylContact O-C 3.58Å; Y49-G134 WeakPolarHBondContact CA-O 3.23Å; Y49-G134 PolarHBondContact N-O 3.26Å; N130-G134 PolarHBondContact O-N 3.32Å; L131-G134 PolarHBondContact O-N 2.81Å; L132-G134 VanDerWaalsContact C-N 3.35Å; G134-I136 PolarHBondContact O-N 2.89Å; G134-R137 PolarHBondContact O-N 2.95Å; G134-G138 PolarHBondContact O-N 3.36Å
135I98.4Very high95.8Very high31 Ų3132.4 Ų32.416%0.15917%0.168CC..Hα-helixtrans-58.6-49.5-179.6-69.8166.9000111G48 I51 G52 L55 L131 L132 C133 R137 G138 A139G48-I135 VanDerWaalsContact C-N 3.29Å; G48-I135 VanDerWaalsContact O-CA 3.23Å; G48-I135 WeakPolarHBondContact O-CA 3.31Å; G48-I135 VanDerWaalsContact O-CG1 3.31Å; G48-I135 WeakPolarHBondContact O-CG1 3.37Å; G48-I135 PolarHBondContact O-N 3.47Å; I51-I135 HydrophobicContact CB-CG1 4.13Å; I51-I135 HydrophobicContact CG2-CD1 4.23Å; I51-I135 HydrophobicContact CG2-CG1 4.07Å; G52-I135 WeakPolarHBondContact CA-O 3.39Å; L55-I135 HydrophobicContact CD2-CG2 3.89Å; L131-I135 HydrophobicContact CD2-CD1 4.03Å; L131-I135 HydrophobicContact CG-CD1 3.98Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.42Å; L132-I135 HydrophobicContact CD2-CD1 4.43Å; L132-I135 PolarHBondContact O-N 2.85Å; C133-I135 PolarHBondContact O-N 3.26Å; I135-R137 PolarHBondContact O-N 2.91Å; I135-G138 PolarHBondContact O-N 2.83Å; I135-A139 WeakPolarHBondContact O-CB 3.22Å; I135-A139 PolarHBondContact O-N 3.42Å
136I98.2Very high95.8Very high11 Ų1132.8 Ų32.86%0.05617%0.173CC..Hα-helixtrans-61.9-47-179.8-64.9164.9000109.8I78 F83 L105 L132 C133 G134 A139 L140 V149 I164 I166I78-I136 HydrophobicContact CD1-CG2 4.36Å; F83-I136 HydrophobicContact CE2-CD1 4.09Å; F83-I136 HydrophobicContact CZ-CD1 4.17Å; L105-I136 HydrophobicContact CD1-CD1 4.15Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.43Å; L132-I136 PolarHBondContact O-N 2.8Å; C133-I136 PolarHBondContact O-N 2.96Å; G134-I136 PolarHBondContact O-N 2.89Å; I136-A139 PolarHBondContact O-N 3.43Å; I136-L140 HydrophobicContact CG2-CD1 3.8Å; I136-L140 HydrophobicContact CG2-CG 4.37Å; I136-L140 WeakPolarHBondContact O-CB 3.41Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 2.82Å; I136-V149 HydrophobicContact CB-CG1 4.24Å; I136-V149 HydrophobicContact CB-CG2 4.32Å; I136-V149 HydrophobicContact CD1-CG1 4.26Å; I136-V149 HydrophobicContact CG2-CG1 4.31Å; I136-V149 HydrophobicContact CG2-CG2 3.91Å; I136-I164 HydrophobicContact CD1-CG2 4.26Å; I136-I166 HydrophobicContact CG2-CD1 4.02Å; I136-I166 HydrophobicContact CG2-CG1 4.49Å
137R98Very high95.9Very high55 Ų5533 Ų3321%0.20818%0.176CC..Hα-helixtrans-61.1-47.5-179.9-174.3169.558.7713.5112.1D45 Y49 C133 G134 I135 A139 L140 E141 V149D45-R137 IonicContact OD1-CZ 3.78Å; D45-R137 IonicContact OD1-NE 3.61Å; D45-R137 PolarHBondContact OD1-NE 3.38Å; D45-R137 IonicContact OD1-NH2 3.99Å; D45-R137 PolarHBondContact OD1-NH2 2.95Å; D45-R137 IonicContact OD2-CZ 2.78Å; D45-R137 IonicContact OD2-NE 3.42Å; D45-R137 IonicContact OD2-NH2 3.68Å; D45-R137 PolarHBondContact OD2-NH2 2.84Å; Y49-R137 HydrophobicContact CD2-CG 4.49Å; C133-R137 VanDerWaalsContact O-CB 3.3Å; C133-R137 WeakPolarHBondContact O-CB 3.39Å; C133-R137 PolarHBondContact O-N 2.91Å; G134-R137 PolarHBondContact O-N 2.95Å; I135-R137 PolarHBondContact O-N 2.91Å; R137-A139 PolarHBondContact O-N 3.13Å; R137-L140 PolarHBondContact O-N 3.08Å; R137-E141 PolarHBondContact O-N 3.26Å; R137-V149 HydrophobicContact CB-CG2 4.06Å
138G97.8Very high95.9Very high0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-64-40178.300000112.9G134 I135 M142G134-G138 PolarHBondContact O-N 3.36Å; I135-G138 PolarHBondContact O-N 2.83Å; G138-M142 WeakPolarHBondContact O-CG 3.49Å; G138-M142 PolarHBondContact O-N 2.91Å
139A97.8Very high96.1Very high24 Ų2435.8 Ų35.820%0.19819%0.19CC..Hα-helixtrans-67.3-42.9176.800000112.3V56 I135 I136 R137 M142V56-A139 HydrophobicContact CB-CB 4.1Å; V56-A139 HydrophobicContact CG2-CB 4.35Å; I135-A139 WeakPolarHBondContact O-CB 3.22Å; I135-A139 PolarHBondContact O-N 3.42Å; I136-A139 PolarHBondContact O-N 3.43Å; R137-A139 PolarHBondContact O-N 3.13Å; A139-M142 PolarHBondContact O-N 3.22Å
140L96.1Very high96.1Very high8 Ų839.3 Ų39.34%0.04221%0.212CC..Hα-helixtrans-64.9-38.4177.7-75.2175.2000112.2I74 I78 I136 R137 M142 V143 H144 L145 A147 I166 F168I74-L140 HydrophobicContact CG2-CD2 3.74Å; I78-L140 HydrophobicContact CD1-CD1 4.39Å; I78-L140 HydrophobicContact CD1-CD2 4.09Å; I78-L140 HydrophobicContact CD1-CG 4.42Å; I136-L140 HydrophobicContact CG2-CD1 3.8Å; I136-L140 HydrophobicContact CG2-CG 4.37Å; I136-L140 WeakPolarHBondContact O-CB 3.41Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 2.82Å; R137-L140 PolarHBondContact O-N 3.08Å; L140-M142 VanDerWaalsContact C-N 3.32Å; L140-M142 PolarHBondContact O-N 3.46Å; L140-V143 CarbonylContact O-C 3.57Å; L140-V143 WeakPolarHBondContact O-CG2 3.44Å; L140-V143 PolarHBondContact O-N 3.24Å; L140-V143 VanDerWaalsContact O-N 3.16Å; L140-H144 PolarHBondContact O-N 2.77Å; L140-L145 CarbonylContact C-O 3.47Å; L140-L145 HydrophobicContact CB-CB 4.27Å; L140-L145 WeakPolarHBondContact CB-O 3.33Å; L140-L145 HydrophobicContact CD2-CB 4.3Å; L140-L145 HydrophobicContact CD2-CD1 4.03Å; L140-L145 WeakPolarHBondContact O-CB 3.46Å; L140-L145 PolarHBondContact O-N 3.49Å; L140-A147 HydrophobicContact CD1-CB 3.8Å; L140-I166 HydrophobicContact CD1-CG2 4.32Å; L140-F168 HydrophobicContact CD1-CE1 4.11Å; L140-F168 HydrophobicContact CD1-CZ 4.48Å; L140-F168 HydrophobicContact CD2-CE1 4.19Å
141E95.6Very high96Very high93 Ų9339.7 Ų39.744%0.43521%0.212SC..Hα-helixtrans-62.6-39178.7-170.9175.3154.400112.4Y49 R137 V143 H144 L145Y49-E141 HydrophobicContact CE2-CB 4.49Å; Y49-E141 WeakPolarHBondContact CE2-OE2 3.5Å; Y49-E141 VanDerWaalsContact CZ-OE2 3.29Å; Y49-E141 PolarHBondContact OH-OE1 3.37Å; Y49-E141 VanDerWaalsContact OH-OE1 3.06Å; Y49-E141 PolarHBondContact OH-OE2 2.96Å; R137-E141 PolarHBondContact O-N 3.26Å; E141-V143 PolarHBondContact O-N 2.98Å; E141-H144 WeakPolarHBondContact O-CA 3.49Å; E141-H144 PolarHBondContact O-N 2.95Å; E141-L145 PolarHBondContact N-O 2.79Å
142M94.3Very high95.9Very high88 Ų8843.3 Ų43.343%0.43323%0.232SC..Hα-helixtrans-65.4-20.4178.2-69.6-58.6-65.600113.9T53 V56 G138 A139 L140T53-M142 HydrophobicContact CG2-CG 4.02Å; T53-M142 HydrophobicContact CG2-SD 4.16Å; V56-M142 HydrophobicContact CB-CB 4.47Å; V56-M142 HydrophobicContact CG1-CB 3.61Å; V56-M142 HydrophobicContact CG1-CG 3.88Å; G138-M142 WeakPolarHBondContact O-CG 3.49Å; G138-M142 PolarHBondContact O-N 2.91Å; A139-M142 PolarHBondContact O-N 3.22Å; L140-M142 VanDerWaalsContact C-N 3.32Å; L140-M142 PolarHBondContact O-N 3.46Å
143V92.4Very high95.7Very high58 Ų5845.9 Ų45.935%0.35224%0.243SC..THydrogen-bonded Turntrans-100.520.1171.2-62.30000112.3V56 L60 L140 E141 L145V56-V143 HydrophobicContact CG2-CG1 4.02Å; L60-V143 HydrophobicContact CD1-CG1 4.2Å; L140-V143 CarbonylContact O-C 3.57Å; L140-V143 WeakPolarHBondContact O-CG2 3.44Å; L140-V143 PolarHBondContact O-N 3.24Å; L140-V143 VanDerWaalsContact O-N 3.16Å; E141-V143 PolarHBondContact O-N 2.98Å; V143-L145 VanDerWaalsContact C-N 3.29Å; V143-L145 HydrophobicContact CG2-CB 4.39Å; V143-L145 HydrophobicContact CG2-CD1 3.91Å; V143-L145 HydrophobicContact CG2-CG 4.18Å; V143-L145 PolarHBondContact O-N 2.88Å
144H91.3Very high95.4Very high149 Ų14946 Ų4669%0.6924%0.244SC*.THydrogen-bonded Turntrans60.832.4178.1-52.6-59.9000114.5L140 E141L140-H144 PolarHBondContact O-N 2.77Å; E141-H144 WeakPolarHBondContact O-CA 3.49Å; E141-H144 PolarHBondContact O-N 2.95Å
145L92.8Very high95.1Very high37 Ų3751.7 Ų51.719%0.19427%0.266CS..  trans-112.599.3173.8-65.1173.9000109.1Y71 I74 L140 E141 V143 A147Y71-L145 HydrophobicContact CE1-CD2 3.98Å; I74-L145 HydrophobicContact CD1-CD1 3.44Å; I74-L145 VanDerWaalsContact CD1-CD1 3.44Å; I74-L145 HydrophobicContact CG1-CD1 4.27Å; I74-L145 HydrophobicContact CG2-CD1 4.26Å; L140-L145 CarbonylContact C-O 3.47Å; L140-L145 HydrophobicContact CB-CB 4.27Å; L140-L145 WeakPolarHBondContact CB-O 3.33Å; L140-L145 HydrophobicContact CD2-CB 4.3Å; L140-L145 HydrophobicContact CD2-CD1 4.03Å; L140-L145 WeakPolarHBondContact O-CB 3.46Å; L140-L145 PolarHBondContact O-N 3.49Å; E141-L145 PolarHBondContact N-O 2.79Å; V143-L145 VanDerWaalsContact C-N 3.29Å; V143-L145 HydrophobicContact CG2-CB 4.39Å; V143-L145 HydrophobicContact CG2-CD1 3.91Å; V143-L145 HydrophobicContact CG2-CG 4.18Å; V143-L145 PolarHBondContact O-N 2.88Å; L145-A147 PolarHBondContact O-N 3.45Å
146A92.5Very high94.7Very high51 Ų5151.4 Ų51.442%0.42126%0.264SS..  trans-71.512917200000109.3L169A146-L169 HydrophobicContact CB-CB 4.02Å; A146-L169 HydrophobicContact CB-CD1 4.34Å; A146-L169 WeakPolarHBondContact O-CB 3.36Å; A146-L169 PolarHBondContact O-N 3.38Å
147A95.6Very high94.3Very high7 Ų754.8 Ų54.86%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-145.5143.8176.900000110.6L140 L145 V149 I166 T167 F168L140-A147 HydrophobicContact CD1-CB 3.8Å; L145-A147 PolarHBondContact O-N 3.45Å; A147-V149 HydrophobicContact CB-CG2 4.48Å; A147-I166 HydrophobicContact CB-CG2 4.21Å; A147-T167 CarbonylContact C-O 3.58Å; A147-T167 WeakPolarHBondContact CA-O 3.42Å; A147-F168 HydrophobicContact CB-CD1 4.22Å
148D96.5Very high93.8Very high86 Ų8655.5 Ų55.546%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-88.8133.2164.4-70.4-33.1000108.4I166 T167 L169D148-I166 WeakPolarHBondContact O-CA 3.37Å; D148-T167 PolarHBondContact N-O 2.88Å; D148-T167 PolarHBondContact O-N 2.98Å; D148-L169 WeakPolarHBondContact OD2-CD2 3.48Å
149V97.9Very high93.5Very high10 Ų1058.8 Ų58.86%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-131121.9-177.8-171.10000108.9C133 I136 R137 A147 I164 G165 I166C133-V149 HydrophobicContact CB-CB 4.25Å; C133-V149 HydrophobicContact CB-CG1 3.95Å; I136-V149 HydrophobicContact CB-CG1 4.24Å; I136-V149 HydrophobicContact CB-CG2 4.32Å; I136-V149 HydrophobicContact CD1-CG1 4.26Å; I136-V149 HydrophobicContact CG2-CG1 4.31Å; I136-V149 HydrophobicContact CG2-CG2 3.91Å; R137-V149 HydrophobicContact CB-CG2 4.06Å; A147-V149 HydrophobicContact CB-CG2 4.48Å; V149-I164 HydrophobicContact CG1-CG2 3.54Å; V149-G165 VanDerWaalsContact CA-O 3.29Å; V149-G165 WeakPolarHBondContact CA-O 3.21Å; V149-I166 HydrophobicContact CG1-CG1 4.18Å; V149-I166 HydrophobicContact CG2-CG1 4.4Å; V149-I166 HydrophobicContact CG2-CG2 4.46Å
150T95.8Very high93.1Very high74 Ų7461.9 Ų61.945%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-144.4152-173.455.30000111.5G165T150-G165 PolarHBondContact N-O 3.21Å; T150-G165 PolarHBondContact O-N 3.09Å
151F94.7Very high92.8Very high30 Ų3062.7 Ų62.713%0.13235%0.345CS..EExtended strand (participates in β ladder)trans-72.3131.6167-82.4-92.5000110.4C127 C129 C133 T162 I164C127-F151 HydrophobicContact CB-CD2 4.43Å; C129-F151 VanDerWaalsContact C-CE2 3.44Å; C129-F151 HydrophobicContact CB-CE1 4.05Å; C129-F151 HydrophobicContact CB-CE2 4.11Å; C129-F151 HydrophobicContact CB-CZ 3.39Å; C129-F151 WeakPolarHBondContact O-CE2 3.47Å; C129-F151 WeakPolarHBondContact O-CZ 3.29Å; C133-F151 WeakPolarHBondContact SG-CD2 3.4Å; C133-F151 WeakPolarHBondContact SG-CE2 3.47Å; F151-T162 HydrophobicContact CD1-CG2 4.16Å; F151-T162 HydrophobicContact CE1-CG2 3.59Å; F151-I164 HydrophobicContact CD1-CG1 4.16Å; F151-I164 HydrophobicContact CE1-CD1 4.19Å; F151-I164 HydrophobicContact CE1-CG1 3.72Å; F151-I164 HydrophobicContact CE2-CD1 4.47Å; F151-I164 HydrophobicContact CE2-CG1 4.32Å; F151-I164 HydrophobicContact CZ-CD1 3.85Å; F151-I164 HydrophobicContact CZ-CG1 3.79Å
152L94Very high92.8Very high87 Ų8758.3 Ų58.346%0.45533%0.325SS..EExtended strand (participates in β ladder)trans-102.8-37.6174.5-59.4-179.9000111.2E163L152-E163 HydrophobicContact CB-CB 4.23Å; L152-E163 HydrophobicContact CB-CG 4.11Å; L152-E163 HydrophobicContact CD1-CG 4.22Å; L152-E163 PolarHBondContact N-O 2.71Å
153Q93.5Very high92.9Very high64 Ų6455.4 Ų55.430%0.29931%0.31SS..EExtended strand (participates in β ladder)trans-139.2143.8177.3-60.8-173.5-17.700110D159 V161 T162 E163Q153-D159 WeakPolarHBondContact CA-OD2 3.26Å; Q153-D159 HydrophobicContact CB-CB 3.92Å; Q153-V161 WeakPolarHBondContact CB-O 3.5Å; Q153-T162 CarbonylContact O-C 3.53Å; Q153-T162 WeakPolarHBondContact O-CA 3.47Å; Q153-E163 HydrophobicContact CB-CB 3.79Å; Q153-E163 HydrophobicContact CG-CB 4.17Å; Q153-E163 WeakPolarHBondContact CG-OE2 3.26Å; Q153-E163 PolarHBondContact N-O 2.74Å; Q153-E163 PolarHBondContact O-N 2.8Å
154D91.8Very high93.1Very high4 Ų452.6 Ų52.62%0.02129%0.294CS..  trans-139.3121.5179.2-168.7-12.5000111.2L156 K157 G158 D159D154-L156 PolarHBondContact O-N 3.22Å; D154-L156 WeakPolarHBondContact OD1-CB 3.21Å; D154-L156 PolarHBondContact OD1-N 2.95Å; D154-K157 HydrophobicContact CB-CB 4.29Å; D154-K157 HydrophobicContact CB-CD 4.12Å; D154-K157 HydrophobicContact CB-CG 4.05Å; D154-K157 WeakPolarHBondContact O-CA 3.38Å; D154-K157 PolarHBondContact O-N 2.85Å; D154-G158 PolarHBondContact O-N 2.7Å; D154-D159 PolarHBondContact N-OD2 2.52Å; D154-D159 WeakPolarHBondContact O-CB 3.26Å; D154-D159 PolarHBondContact O-N 3Å
155R91.2Very high93.4Very high119 Ų11945.7 Ų45.745%0.44926%0.263SS..G310 helixtrans-60.3-32.1177.7-77.8-169.5165.9177.64.7112.5D108 K157 G158 S160D108-R155 PolarHBondContact O-NH1 2.87Å; R155-K157 PolarHBondContact O-N 2.78Å; R155-G158 PolarHBondContact O-N 2.8Å; R155-S160 VanDerWaalsContact CZ-O 3.26Å; R155-S160 PolarHBondContact NE-O 2.87Å; R155-S160 PolarHBondContact NH2-O 3.38Å
156L90.6Very high93.6Very high24 Ų2444 Ų4413%0.12625%0.254CS..G310 helixtrans-68.9-15.8177.6-66.6-179000112.9V113 V116 L119 Y128 D154V113-L156 HydrophobicContact CB-CD1 4.16Å; V113-L156 HydrophobicContact CB-CD2 4.32Å; V113-L156 HydrophobicContact CB-CG 4.39Å; V113-L156 HydrophobicContact CG1-CD1 3.57Å; V113-L156 HydrophobicContact CG1-CG 4.14Å; V116-L156 HydrophobicContact CB-CD2 4.28Å; V116-L156 HydrophobicContact CG1-CD1 3.97Å; V116-L156 HydrophobicContact CG1-CD2 3.89Å; V116-L156 WeakPolarHBondContact O-CD2 3.49Å; L119-L156 HydrophobicContact CD1-CB 4.33Å; L119-L156 HydrophobicContact CD2-CB 4.14Å; L119-L156 HydrophobicContact CD2-CD1 3.95Å; L119-L156 HydrophobicContact CG-CB 4.02Å; Y128-L156 HydrophobicContact CD1-CD1 4.07Å; Y128-L156 HydrophobicContact CD2-CD1 4.45Å; Y128-L156 HydrophobicContact CG-CD1 3.79Å; D154-L156 PolarHBondContact O-N 3.22Å; D154-L156 WeakPolarHBondContact OD1-CB 3.21Å; D154-L156 PolarHBondContact OD1-N 2.95Å
157K90.3Very high93.8Very high83 Ų8343.6 Ų43.636%0.36125%0.246SC..G310 helixtrans-99.34174.3-60.7-176.1-179.6-177.70112.9L119 S124 S125 L126 C127 D154 R155L119-K157 HydrophobicContact CD1-CG 4Å; S124-K157 WeakPolarHBondContact O-CE 3.41Å; S125-K157 PolarHBondContact O-NZ 3.39Å; S125-K157 VanDerWaalsContact O-NZ 3.09Å; L126-K157 WeakPolarHBondContact O-CE 3.05Å; L126-K157 PolarHBondContact O-NZ 2.79Å; C127-K157 PolarHBondContact SG-NZ 3Å; D154-K157 HydrophobicContact CB-CB 4.29Å; D154-K157 HydrophobicContact CB-CD 4.12Å; D154-K157 HydrophobicContact CB-CG 4.05Å; D154-K157 WeakPolarHBondContact O-CA 3.38Å; D154-K157 PolarHBondContact O-N 2.85Å; R155-K157 PolarHBondContact O-N 2.78Å
158G88.1Confident93.8Very high69 Ų6943.4 Ų43.471%0.71124%0.244SC*.THydrogen-bonded Turntrans96.95.5178.900000115.3D154 R155D154-G158 PolarHBondContact O-N 2.7Å; R155-G158 PolarHBondContact O-N 2.8Å
159D90.9Very high93.6Very high69 Ų6942.5 Ų42.537%0.36924%0.239SC..  trans-73.4162.2175.1-63.2-49.4000112.2Q153 D154Q153-D159 WeakPolarHBondContact CA-OD2 3.26Å; Q153-D159 HydrophobicContact CB-CB 3.92Å; D154-D159 PolarHBondContact N-OD2 2.52Å; D154-D159 WeakPolarHBondContact O-CB 3.26Å; D154-D159 PolarHBondContact O-N 3Å
160S88.9Confident92.8Very high89 Ų8951 Ų5162%0.62228%0.275SS*.SBendtrans-74.3-28.3-177.563.20000113.5R155R155-S160 VanDerWaalsContact CZ-O 3.26Å; R155-S160 PolarHBondContact NE-O 2.87Å; R155-S160 PolarHBondContact NH2-O 3.38Å
161V91Very high91.3Very high25 Ų2555.1 Ų55.115%0.15229%0.287CS..SBendtrans-140.3166.1-179.8-63.40000110.3I106 Q153I106-V161 HydrophobicContact CG2-CB 3.97Å; I106-V161 HydrophobicContact CG2-CG1 4.16Å; I106-V161 HydrophobicContact CG2-CG2 4.03Å; Q153-V161 WeakPolarHBondContact CB-O 3.5Å
162T94.1Very high89.2Confident2 Ų265.2 Ų65.21%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-97.7121.6167.5-60.30000108.1L107 F151 Q153L107-T162 HydrophobicContact CB-CG2 4.39Å; L107-T162 PolarHBondContact N-O 3.02Å; F151-T162 HydrophobicContact CD1-CG2 4.16Å; F151-T162 HydrophobicContact CE1-CG2 3.59Å; Q153-T162 CarbonylContact O-C 3.53Å; Q153-T162 WeakPolarHBondContact O-CA 3.47Å
163E96.3Very high86.8Confident26 Ų2668 Ų6812%0.12134%0.339CS..EExtended strand (participates in β ladder)trans-125.8125.1-174.6-171.4-176.5175.300110.5S104 L105 I106 L152 Q153S104-E163 WeakPolarHBondContact CB-OE1 3.15Å; S104-E163 PolarHBondContact OG-OE1 2.96Å; L105-E163 WeakPolarHBondContact O-CA 3.21Å; I106-E163 HydrophobicContact CG1-CG 4.29Å; L152-E163 HydrophobicContact CB-CB 4.23Å; L152-E163 HydrophobicContact CB-CG 4.11Å; L152-E163 HydrophobicContact CD1-CG 4.22Å; L152-E163 PolarHBondContact N-O 2.71Å; Q153-E163 HydrophobicContact CB-CB 3.79Å; Q153-E163 HydrophobicContact CG-CB 4.17Å; Q153-E163 WeakPolarHBondContact CG-OE2 3.26Å; Q153-E163 PolarHBondContact N-O 2.74Å; Q153-E163 PolarHBondContact O-N 2.8Å
164I97.5Very high84.5Confident0 Ų073.5 Ų73.50%037%0.365CS..EExtended strand (participates in β ladder)trans-109.1116.3174.4-57.7174000108.4F83 S104 L105 L107 L132 I136 V149 F151F83-I164 HydrophobicContact CZ-CD1 4.48Å; S104-I164 CarbonylContact C-O 3.6Å; S104-I164 WeakPolarHBondContact CA-O 3.35Å; L105-I164 HydrophobicContact CB-CB 4.33Å; L105-I164 PolarHBondContact N-O 2.96Å; L105-I164 PolarHBondContact O-N 3.37Å; L107-I164 HydrophobicContact CD1-CD1 4.06Å; L107-I164 HydrophobicContact CD1-CG1 4.27Å; L132-I164 HydrophobicContact CB-CD1 4.1Å; L132-I164 HydrophobicContact CD1-CD1 4.17Å; I136-I164 HydrophobicContact CD1-CG2 4.26Å; V149-I164 HydrophobicContact CG1-CG2 3.54Å; F151-I164 HydrophobicContact CD1-CG1 4.16Å; F151-I164 HydrophobicContact CE1-CD1 4.19Å; F151-I164 HydrophobicContact CE1-CG1 3.72Å; F151-I164 HydrophobicContact CE2-CD1 4.47Å; F151-I164 HydrophobicContact CE2-CG1 4.32Å; F151-I164 HydrophobicContact CZ-CD1 3.85Å; F151-I164 HydrophobicContact CZ-CG1 3.79Å
165G97.2Very high82.1Confident4 Ų482.2 Ų82.24%0.04140%0.403CS..EExtended strand (participates in β ladder)trans-82.3138.8172.900000111.6F103 V149 T150F103-G165 CarbonylContact O-C 3.55Å; F103-G165 WeakPolarHBondContact O-CA 3.37Å; V149-G165 VanDerWaalsContact CA-O 3.29Å; V149-G165 WeakPolarHBondContact CA-O 3.21Å; T150-G165 PolarHBondContact N-O 3.21Å; T150-G165 PolarHBondContact O-N 3.09Å
166I97.6Very high79.8Confident1 Ų185.6 Ų85.61%0.00542%0.42CS..EExtended strand (participates in β ladder)trans-126.6117.1174.8-57.5174.4000108.3T75 E102 F103 L105 I136 L140 A147 D148 V149 F168T75-I166 HydrophobicContact CG2-CD1 4.47Å; E102-I166 WeakPolarHBondContact CA-O 3.46Å; F103-I166 PolarHBondContact N-O 3.21Å; F103-I166 PolarHBondContact O-N 2.77Å; L105-I166 HydrophobicContact CD1-CD1 3.7Å; L105-I166 HydrophobicContact CG-CD1 3.97Å; I136-I166 HydrophobicContact CG2-CD1 4.02Å; I136-I166 HydrophobicContact CG2-CG1 4.49Å; L140-I166 HydrophobicContact CD1-CG2 4.32Å; A147-I166 HydrophobicContact CB-CG2 4.21Å; D148-I166 WeakPolarHBondContact O-CA 3.37Å; V149-I166 HydrophobicContact CG1-CG1 4.18Å; V149-I166 HydrophobicContact CG2-CG1 4.4Å; V149-I166 HydrophobicContact CG2-CG2 4.46Å; I166-F168 HydrophobicContact CG2-CD2 4.27Å; I166-F168 HydrophobicContact CG2-CE2 3.82Å; I166-F168 HydrophobicContact CG2-CZ 4Å
167T96.6Very high77.6Confident42 Ų4295 Ų9526%0.25846%0.456SS..EExtended strand (participates in β ladder)trans-114.3107.8177.8-57.80000109.6N101 E102 A147 D148 L169N101-T167 WeakPolarHBondContact O-CA 3.34Å; E102-T167 HydrophobicContact CG-CG2 3.75Å; A147-T167 CarbonylContact C-O 3.58Å; A147-T167 WeakPolarHBondContact CA-O 3.42Å; D148-T167 PolarHBondContact N-O 2.88Å; D148-T167 PolarHBondContact O-N 2.98Å; T167-L169 PolarHBondContact O-N 3.5Å
168F95.1Very high75.4Confident3 Ų3102.1 Ų102.11%0.01348%0.481CS..EExtended strand (participates in β ladder)trans-72122.9177-68.4-85.5000110.6Y71 I74 N101 F103 L140 A147 I166Y71-F168 HydrophobicContact CD1-CB 4.18Å; Y71-F168 AromaticContact CD1-CD1 3.61Å; Y71-F168 HydrophobicContact CD1-CD1 3.61Å; Y71-F168 HydrophobicContact CD1-CD2 4.08Å; Y71-F168 AromaticContact CD1-CE1 3.94Å; Y71-F168 HydrophobicContact CD1-CE1 3.94Å; Y71-F168 HydrophobicContact CD1-CE2 4.37Å; Y71-F168 AromaticContact CD1-CG 3.68Å; Y71-F168 HydrophobicContact CD1-CG 3.68Å; Y71-F168 HydrophobicContact CD1-CZ 4.3Å; Y71-F168 HydrophobicContact CD2-CB 3.86Å; Y71-F168 HydrophobicContact CD2-CD2 4.09Å; Y71-F168 AromaticContact CD2-CG 3.98Å; Y71-F168 HydrophobicContact CD2-CG 3.98Å; Y71-F168 HydrophobicContact CE1-CB 4.12Å; Y71-F168 AromaticContact CE1-CD1 3.86Å; Y71-F168 HydrophobicContact CE1-CD1 3.86Å; Y71-F168 HydrophobicContact CE1-CG 4.02Å; Y71-F168 HydrophobicContact CE2-CB 3.75Å; Y71-F168 HydrophobicContact CE2-CG 4.26Å; Y71-F168 HydrophobicContact CG-CB 4.08Å; Y71-F168 HydrophobicContact CG-CD1 4.09Å; Y71-F168 AromaticContact CG-CD2 3.69Å; Y71-F168 HydrophobicContact CG-CD2 3.69Å; Y71-F168 HydrophobicContact CG-CE1 4.47Å; Y71-F168 HydrophobicContact CG-CE2 4.11Å; Y71-F168 AromaticContact CG-CG 3.67Å; Y71-F168 HydrophobicContact CG-CG 3.67Å; Y71-F168 HydrophobicContact CG-CZ 4.47Å; I74-F168 HydrophobicContact CB-CZ 4.46Å; I74-F168 HydrophobicContact CG2-CE1 4.28Å; I74-F168 HydrophobicContact CG2-CZ 4.06Å; N101-F168 HydrophobicContact CB-CB 4.39Å; N101-F168 PolarHBondContact O-N 3.23Å; F103-F168 AromaticContact CD2-CD2 3.87Å; F103-F168 HydrophobicContact CD2-CD2 3.87Å; F103-F168 AromaticContact CD2-CE2 3.65Å; F103-F168 HydrophobicContact CD2-CE2 3.65Å; F103-F168 AromaticContact CE2-CD2 3.88Å; F103-F168 HydrophobicContact CE2-CD2 3.88Å; F103-F168 AromaticContact CE2-CE2 3.84Å; F103-F168 HydrophobicContact CE2-CE2 3.84Å; L140-F168 HydrophobicContact CD1-CE1 4.11Å; L140-F168 HydrophobicContact CD1-CZ 4.48Å; L140-F168 HydrophobicContact CD2-CE1 4.19Å; A147-F168 HydrophobicContact CB-CD1 4.22Å; I166-F168 HydrophobicContact CG2-CD2 4.27Å; I166-F168 HydrophobicContact CG2-CE2 3.82Å; I166-F168 HydrophobicContact CG2-CZ 4Å
169L92.3Very high73.4Confident67 Ų67110.5 Ų110.535%0.35149%0.491SS..PPolyproline II helixtrans-84.4135.7178.4-58.4179.1000109.4A146 D148 T167 K171A146-L169 HydrophobicContact CB-CB 4.02Å; A146-L169 HydrophobicContact CB-CD1 4.34Å; A146-L169 WeakPolarHBondContact O-CB 3.36Å; A146-L169 PolarHBondContact O-N 3.38Å; D148-L169 WeakPolarHBondContact OD2-CD2 3.48Å; T167-L169 PolarHBondContact O-N 3.5Å; L169-K171 PolarHBondContact O-N 3.11Å
170K80.6Confident71.2Confident188 Ų188116.9 Ų116.982%0.81752%0.515SS*.PPolyproline II helixtrans-58.8136172.1-71.6-179.1179.3175.20108.8R172K170-R172 PolarHBondContact O-N 2.95Å; K170-R172 VanDerWaalsContact O-N 3.08Å
171K64.2Low69.2Low162 Ų162125.9 Ų125.970%0.70454%0.543SS*.PPolyproline II helixtrans-47.9121.8171.5-96.2-178.7173.6176.40108.5L169 D173L169-K171 PolarHBondContact O-N 3.11Å; K171-D173 PolarHBondContact O-N 3.47Å
172R50.6Low68.1Low241 Ų241131 Ų13191%0.90956%0.563SS**  trans-62.9106.9161.7-75.1-175.7173.4-174.5-0.5105.2K170 E174K170-R172 PolarHBondContact O-N 2.95Å; K170-R172 VanDerWaalsContact O-N 3.08Å; R172-E174 PolarHBondContact O-N 3.24Å
173D45.4Very low66.7Low146 Ų146137.7 Ų137.778%0.78159%0.592SS**  trans-54.1112.9166.9-78.8-41.8000106.7K171 K175K171-D173 PolarHBondContact O-N 3.47Å; D173-K175 VanDerWaalsContact C-N 3.26Å; D173-K175 PolarHBondContact O-N 3.21Å
174E45.2Very low65.1Low179 Ų179143.9 Ų143.984%0.83662%0.618SS**  trans-55.9101.2163.9-72.9-176.4161.300105.7R172 K176R172-E174 PolarHBondContact O-N 3.24Å; E174-K176 PolarHBondContact O-N 3.41Å
175K40.2Very low63.1Low188 Ų188152.4 Ų152.482%0.81765%0.654SS**  trans-5794.9168.2-77.4-177.6177.9177.10105.8D173 Y177D173-K175 VanDerWaalsContact C-N 3.26Å; D173-K175 PolarHBondContact O-N 3.21Å; K175-Y177 VanDerWaalsContact C-N 3.28Å; K175-Y177 PolarHBondContact O-N 3.38Å
176K42.5Very low61Low189 Ų189161.7 Ų161.782%0.82269%0.693SS**  trans-53.899.1167.4-72.9-179178.5177.20105.8E174 R178E174-K176 PolarHBondContact O-N 3.41Å; K176-R178 PolarHBondContact O-N 2.94Å
177Y44.5Very low58.6Low221 Ų221172.4 Ų172.487%0.86774%0.738SS**  trans-6094.6162.6-92.8-93.3000105.7K175 R179K175-Y177 VanDerWaalsContact C-N 3.28Å; K175-Y177 PolarHBondContact O-N 3.38Å; Y177-R179 PolarHBondContact O-N 3.26Å
178R45.4Very low55.9Low234 Ų234181.7 Ų181.788%0.88377%0.773SS**  trans-5996.6161.4-85.6-173163.8-172.7-3.6105.7K176 K180K176-R178 PolarHBondContact O-N 2.94Å; R178-K180 VanDerWaalsContact C-N 3.35Å; R178-K180 PolarHBondContact O-N 3.4Å
179R46Very low52.9Low244 Ų244195.5 Ų195.592%0.92183%0.831SS**  trans-55105.1159.2-82.8179.9168.8166.4-3.4105.9Y177 K181Y177-R179 PolarHBondContact O-N 3.26Å; R179-K181 PolarHBondContact O-N 3.38Å
180K44.5Very low49.6Very low204 Ų204206.2 Ų206.289%0.88787%0.871SS**  trans-62116.4165-76.5-177.6174-179.60106.1R178R178-K180 VanDerWaalsContact C-N 3.35Å; R178-K180 PolarHBondContact O-N 3.4Å
181K45.6Very low46.8Very low278 Ų278207.8 Ų207.8100%1.20988%0.876SS**  trans-70.50156-104.6-174.2174-176.10108.2R179R179-K181 PolarHBondContact O-N 3.38Å

Retrieved 181 of 181 residues in 548.8 ms (Link to these results)

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