A0A087YBS8_POEFO Loading...

Pentatricopeptide repeat-containing protein 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YBS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1A41.8Very low72.4Confident135 Ų13562.1 Ų62.1100%1.11634%0.337SS*.  0142.7000000109R3A1-R3 PolarHBondContact O-N 2.71Å
2K48.7Very low73.9Confident169 Ų16965.1 Ų65.174%0.73534%0.344SS*.  trans-70120.6178.7-61.8-175177.4-178.80109.7H4K2-H4 VanDerWaalsContact C-N 3.3Å; K2-H4 VanDerWaalsContact CB-CD2 3.44Å; K2-H4 WeakPolarHBondContact CB-CD2 3.24Å; K2-H4 VanDerWaalsContact CB-NE2 3.27Å; K2-H4 WeakPolarHBondContact CB-NE2 3.47Å; K2-H4 WeakPolarHBondContact CD-NE2 3.45Å; K2-H4 PolarHBondContact O-N 3.4Å; K2-H4 VanDerWaalsContact O-N 3.09Å
3R60.5Low75Confident99 Ų9962.1 Ų62.137%0.37433%0.328SS..  trans-84.255.5-172.2-65.5178.3174.5166.6-2.4112.9A1 V138 C316A1-R3 PolarHBondContact O-N 2.71Å; R3-V138 WeakPolarHBondContact O-CG2 3.25Å; R3-C316 CarbonylContact C-O 3.54Å; R3-C316 VanDerWaalsContact CA-O 3.23Å; R3-C316 WeakPolarHBondContact CA-O 3.38Å; R3-C316 HydrophobicContact CB-CB 4.24Å; R3-C316 HydrophobicContact CG-CB 4.06Å
4H69.1Low76Confident34 Ų3465.8 Ų65.816%0.15734%0.343CS..  trans-83.4135.7177.2-50.2-85.7000110K2 Y102 V138 R317 V318K2-H4 VanDerWaalsContact C-N 3.3Å; K2-H4 VanDerWaalsContact CB-CD2 3.44Å; K2-H4 WeakPolarHBondContact CB-CD2 3.24Å; K2-H4 VanDerWaalsContact CB-NE2 3.27Å; K2-H4 WeakPolarHBondContact CB-NE2 3.47Å; K2-H4 WeakPolarHBondContact CD-NE2 3.45Å; K2-H4 PolarHBondContact O-N 3.4Å; K2-H4 VanDerWaalsContact O-N 3.09Å; H4-Y102 PolarHBondContact CE1-OH 3.01Å; H4-Y102 PolarHBondContact ND1-OH 3.38Å; H4-V138 HydrophobicContact CB-CG2 4.45Å; H4-R317 CarbonylContact O-C 3.45Å; H4-V318 HydrophobicContact CB-CG1 4.35Å; H4-V318 HydrophobicContact CB-CG2 3.68Å; H4-V318 WeakPolarHBondContact O-CA 3.46Å; H4-V318 WeakPolarHBondContact O-CG2 3.49Å; H4-V318 PolarHBondContact O-N 3.32Å
5L80.1Confident77Confident6 Ų666.3 Ų66.33%0.03135%0.346CS..SBendtrans-97.7-17175.3-62.7-179.9000112.2N134 F137 L166 A169 F204 P319L5-N134 PolarHBondContact N-OD1 3.44Å; L5-F137 HydrophobicContact CD1-CD1 3.62Å; L5-F137 HydrophobicContact CD1-CD2 3.95Å; L5-F137 HydrophobicContact CD1-CE1 3.48Å; L5-F137 VanDerWaalsContact CD1-CE1 3.48Å; L5-F137 HydrophobicContact CD1-CE2 3.82Å; L5-F137 HydrophobicContact CD1-CG 3.86Å; L5-F137 HydrophobicContact CD1-CZ 3.59Å; L5-F137 HydrophobicContact CD2-CE1 4.06Å; L5-F137 HydrophobicContact CD2-CZ 4.45Å; L5-F137 HydrophobicContact CG-CD1 3.85Å; L5-F137 HydrophobicContact CG-CE1 3.7Å; L5-F137 HydrophobicContact CG-CZ 4.25Å; L5-L166 HydrophobicContact CB-CD2 3.79Å; L5-L166 HydrophobicContact CD1-CD2 3.87Å; L5-L166 HydrophobicContact CG-CD2 4.41Å; L5-A169 HydrophobicContact CD1-CB 3.34Å; L5-F204 HydrophobicContact CD1-CZ 4.4Å; L5-F204 HydrophobicContact CD2-CE2 3.92Å; L5-F204 HydrophobicContact CD2-CZ 3.69Å; L5-P319 WeakPolarHBondContact O-CD 3.46Å
6L84.9Confident78Confident5 Ų562.4 Ų62.43%0.02633%0.326CS..SBendtrans-102.1143.8174.8-55.9-176.5000111.2V10 I11 N130 N134 D162 L166L6-V10 HydrophobicContact CB-CB 4.38Å; L6-V10 HydrophobicContact CB-CG1 4.44Å; L6-V10 HydrophobicContact CD1-CG1 4.07Å; L6-V10 HydrophobicContact CD2-CG1 4.46Å; L6-I11 HydrophobicContact CB-CD1 3.96Å; L6-I11 HydrophobicContact CB-CG1 3.68Å; L6-I11 HydrophobicContact CD1-CG1 4.26Å; L6-N130 HydrophobicContact CD1-CB 4.07Å; L6-N130 WeakPolarHBondContact CD1-O 3.39Å; L6-N134 HydrophobicContact CD1-CB 3.68Å; L6-N134 HydrophobicContact CG-CB 3.87Å; L6-N134 PolarHBondContact N-OD1 2.94Å; L6-D162 HydrophobicContact CD2-CB 3.77Å; L6-L166 HydrophobicContact CD1-CD1 4.16Å; L6-L166 HydrophobicContact CD2-CD1 4.06Å; L6-L166 HydrophobicContact CD2-CD2 4.44Å; L6-L166 HydrophobicContact CD2-CG 4.23Å; L6-L166 HydrophobicContact CG-CD1 4.29Å; L6-L166 HydrophobicContact CG-CD2 4.42Å
7S81.9Confident78.8Confident23 Ų2363.1 Ų63.116%0.16133%0.327CS..  trans-76.7163.1173.267.70000111.8D9 V10 I11S7-D9 PolarHBondContact O-N 3.14Å; S7-V10 PolarHBondContact O-N 3.4Å; S7-I11 PolarHBondContact O-N 3.44Å
8E82.8Confident79.6Confident72 Ų7266.8 Ų66.834%0.33634%0.343SS..Hα-helixtrans-58.7-31.3174-170.355.1-139.300112.2V10 K12 L13 Q14E8-V10 PolarHBondContact O-N 2.97Å; E8-K12 VanDerWaalsContact O-CA 3.29Å; E8-K12 WeakPolarHBondContact O-CA 3.43Å; E8-K12 PolarHBondContact O-N 3.49Å; E8-L13 WeakPolarHBondContact OE1-CA 3.2Å; E8-L13 PolarHBondContact OE1-N 3.04Å; E8-Q14 HydrophobicContact CG-CG 4.26Å; E8-Q14 PolarHBondContact OE1-N 3.02Å
9D79.8Confident80.2Confident99 Ų9971.2 Ų71.253%0.52935%0.354SS..Hα-helixtrans-63.1-27.2176.8-60.6-46.8000113.1S7 K12S7-D9 PolarHBondContact O-N 3.14Å; D9-K12 WeakPolarHBondContact O-CE 3.38Å; D9-K12 WeakPolarHBondContact O-CG 3.49Å
10V82Confident80.8Confident34 Ų3468.4 Ų68.421%0.20634%0.34CS..Hα-helixtrans-90.5-48.9178.5-179.90000110.4L6 S7 E8L6-V10 HydrophobicContact CB-CB 4.38Å; L6-V10 HydrophobicContact CB-CG1 4.44Å; L6-V10 HydrophobicContact CD1-CG1 4.07Å; L6-V10 HydrophobicContact CD2-CG1 4.46Å; S7-V10 PolarHBondContact O-N 3.4Å; E8-V10 PolarHBondContact O-N 2.97Å
11I85.4Confident81.2Confident7 Ų770.4 Ų70.44%0.03635%0.352CS..Hα-helixtrans-68.7-42.5-178.2-56.3175.9000110.4L6 S7 L13 R99 N134L6-I11 HydrophobicContact CB-CD1 3.96Å; L6-I11 HydrophobicContact CB-CG1 3.68Å; L6-I11 HydrophobicContact CD1-CG1 4.26Å; S7-I11 PolarHBondContact O-N 3.44Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 HydrophobicContact CG2-CB 3.94Å; I11-L13 PolarHBondContact O-N 3.5Å; I11-R99 PolarHBondContact O-NE 2.84Å; I11-R99 PolarHBondContact O-NH2 3.33Å; I11-N134 VanDerWaalsContact CD1-ND2 3.32Å; I11-N134 WeakPolarHBondContact CD1-ND2 3.28Å
12K90Very high83.5Confident98 Ų9866.6 Ų66.643%0.42632%0.32SS..  trans52.543.4-175.8-56.4-171.8176.6-174.20113.1E8 D9 D15 F16 R99E8-K12 VanDerWaalsContact O-CA 3.29Å; E8-K12 WeakPolarHBondContact O-CA 3.43Å; E8-K12 PolarHBondContact O-N 3.49Å; D9-K12 WeakPolarHBondContact O-CE 3.38Å; D9-K12 WeakPolarHBondContact O-CG 3.49Å; K12-D15 HydrophobicContact CB-CB 4.28Å; K12-F16 WeakPolarHBondContact O-CB 3.41Å; K12-F16 PolarHBondContact O-N 2.78Å; K12-R99 PolarHBondContact O-NE 3.39Å
13L88.3Confident85.4Confident26 Ų2660 Ų6014%0.13629%0.294CS..Hα-helixtrans-71.8-41179.3-168.662.3000110.9E8 I11 F16 Q17 R99 Y102E8-L13 WeakPolarHBondContact OE1-CA 3.2Å; E8-L13 PolarHBondContact OE1-N 3.04Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 HydrophobicContact CG2-CB 3.94Å; I11-L13 PolarHBondContact O-N 3.5Å; L13-F16 HydrophobicContact CD1-CD1 4.47Å; L13-F16 WeakPolarHBondContact O-CB 3.37Å; L13-F16 PolarHBondContact O-N 3.33Å; L13-Q17 VanDerWaalsContact O-CG 3.31Å; L13-Q17 WeakPolarHBondContact O-CG 3.26Å; L13-Q17 PolarHBondContact O-N 3.01Å; L13-R99 HydrophobicContact CD1-CB 4.22Å; L13-Y102 HydrophobicContact CD2-CD1 3.79Å; L13-Y102 HydrophobicContact CD2-CE1 4.17Å
14Q89.1Confident86.6Confident114 Ų11456.4 Ų56.453%0.53329%0.285SS..Hα-helixtrans-63.6-48.7177.4-68.8-176.6-9.500111.6E8 F16 Q17 Q18E8-Q14 HydrophobicContact CG-CG 4.26Å; E8-Q14 PolarHBondContact OE1-N 3.02Å; Q14-F16 PolarHBondContact O-N 3.17Å; Q14-Q17 PolarHBondContact O-N 3.48Å; Q14-Q18 WeakPolarHBondContact O-CG 2.91Å; Q14-Q18 PolarHBondContact O-N 2.96Å
15D91.1Very high87.3Confident73 Ų7361.7 Ų61.739%0.3931%0.309SS..Hα-helixtrans-57.4-39175.5-71-5.9000111.4K12 R19K12-D15 HydrophobicContact CB-CB 4.28Å; D15-R19 VanDerWaalsContact O-CG 3.25Å; D15-R19 WeakPolarHBondContact O-CG 3.32Å; D15-R19 PolarHBondContact O-N 3.31Å; D15-R19 VanDerWaalsContact O-N 3.1Å
16F92.5Very high87.4Confident4 Ų468.2 Ų68.22%0.01834%0.344CS..Hα-helixtrans-66.9-47.2177.6173.8-110.1000111.9K12 L13 Q14 Q18 R19 K20 L96 R99 L100K12-F16 WeakPolarHBondContact O-CB 3.41Å; K12-F16 PolarHBondContact O-N 2.78Å; L13-F16 HydrophobicContact CD1-CD1 4.47Å; L13-F16 WeakPolarHBondContact O-CB 3.37Å; L13-F16 PolarHBondContact O-N 3.33Å; Q14-F16 PolarHBondContact O-N 3.17Å; F16-Q18 PolarHBondContact O-N 3.46Å; F16-R19 WeakPolarHBondContact O-CB 3.3Å; F16-R19 PolarHBondContact O-N 3.33Å; F16-R19 VanDerWaalsContact O-N 3.15Å; F16-K20 HydrophobicContact CD1-CD 4.2Å; F16-K20 HydrophobicContact CE1-CD 3.61Å; F16-K20 HydrophobicContact CE1-CG 4.26Å; F16-K20 HydrophobicContact CE2-CD 4.4Å; F16-K20 HydrophobicContact CE2-CG 4.26Å; F16-K20 HydrophobicContact CZ-CD 3.72Å; F16-K20 HydrophobicContact CZ-CG 4.08Å; F16-K20 WeakPolarHBondContact O-CG 3.37Å; F16-K20 PolarHBondContact O-N 2.9Å; F16-L96 HydrophobicContact CD2-CD2 3.52Å; F16-L96 HydrophobicContact CE2-CB 4.45Å; F16-L96 HydrophobicContact CE2-CD2 3.66Å; F16-R99 HydrophobicContact CB-CB 4.42Å; F16-R99 HydrophobicContact CD1-CB 3.59Å; F16-R99 HydrophobicContact CD2-CB 4.42Å; F16-R99 HydrophobicContact CE1-CB 3.85Å; F16-R99 HydrophobicContact CG-CB 3.89Å; F16-R99 HydrophobicContact CG-CG 4.48Å; F16-R99 HydrophobicContact CZ-CB 4.38Å; F16-L100 HydrophobicContact CE1-CB 4.22Å; F16-L100 HydrophobicContact CE1-CD1 4.41Å; F16-L100 HydrophobicContact CZ-CB 3.97Å; F16-L100 HydrophobicContact CZ-CD1 4.31Å
17Q92.1Very high87Confident74 Ų7469.1 Ų69.135%0.34635%0.349SS..Hα-helixtrans-60.4-42.9177.2-73.5170.6-19.800112.1L13 Q14 R19 K20 L21 E103L13-Q17 VanDerWaalsContact O-CG 3.31Å; L13-Q17 WeakPolarHBondContact O-CG 3.26Å; L13-Q17 PolarHBondContact O-N 3.01Å; Q14-Q17 PolarHBondContact O-N 3.48Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.46Å; Q17-K20 WeakPolarHBondContact O-CB 3.31Å; Q17-K20 PolarHBondContact O-N 3.44Å; Q17-L21 WeakPolarHBondContact O-CG 3.49Å; Q17-L21 PolarHBondContact O-N 3.01Å; Q17-L21 VanDerWaalsContact O-N 3.1Å; Q17-E103 WeakPolarHBondContact CG-OE2 3.49Å
18Q92.7Very high86Confident131 Ų13173.7 Ų73.761%0.61238%0.376SS*.Hα-helixtrans-60.8-41.6174.6-72.8178.3-8.800112Q14 F16 L21 A22Q14-Q18 WeakPolarHBondContact O-CG 2.91Å; Q14-Q18 PolarHBondContact O-N 2.96Å; F16-Q18 PolarHBondContact O-N 3.46Å; Q18-L21 PolarHBondContact O-N 3.06Å; Q18-A22 PolarHBondContact O-N 2.75Å
19R91.6Very high84.7Confident149 Ų14973.8 Ų73.856%0.56240%0.397SS*.Hα-helixtrans-65-38.5175.5-72.9172.1-174.5-151.3-0.5112.4D15 F16 Q17 A22 V23D15-R19 VanDerWaalsContact O-CG 3.25Å; D15-R19 WeakPolarHBondContact O-CG 3.32Å; D15-R19 PolarHBondContact O-N 3.31Å; D15-R19 VanDerWaalsContact O-N 3.1Å; F16-R19 WeakPolarHBondContact O-CB 3.3Å; F16-R19 PolarHBondContact O-N 3.33Å; F16-R19 VanDerWaalsContact O-N 3.15Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 3.46Å; R19-A22 PolarHBondContact O-N 3.3Å; R19-V23 VanDerWaalsContact O-CG2 3.31Å; R19-V23 WeakPolarHBondContact O-CG2 3.39Å; R19-V23 PolarHBondContact O-N 3.49Å
20K92.2Very high83.3Confident15 Ų1572.3 Ų72.37%0.06539%0.394CS..Hα-helixtrans-58.9-47.1174.3-69.5-174.266.3-179.40111.3F16 Q17 A22 V23 A24 H58 C60 E103F16-K20 HydrophobicContact CD1-CD 4.2Å; F16-K20 HydrophobicContact CE1-CD 3.61Å; F16-K20 HydrophobicContact CE1-CG 4.26Å; F16-K20 HydrophobicContact CE2-CD 4.4Å; F16-K20 HydrophobicContact CE2-CG 4.26Å; F16-K20 HydrophobicContact CZ-CD 3.72Å; F16-K20 HydrophobicContact CZ-CG 4.08Å; F16-K20 WeakPolarHBondContact O-CG 3.37Å; F16-K20 PolarHBondContact O-N 2.9Å; Q17-K20 WeakPolarHBondContact O-CB 3.31Å; Q17-K20 PolarHBondContact O-N 3.44Å; K20-A22 PolarHBondContact O-N 2.95Å; K20-V23 PolarHBondContact O-N 3.22Å; K20-A24 WeakPolarHBondContact O-CB 3.48Å; K20-A24 PolarHBondContact O-N 3.44Å; K20-H58 WeakPolarHBondContact CE-O 3.45Å; K20-H58 HydrophobicContact CG-CB 4.36Å; K20-H58 WeakPolarHBondContact CG-O 3.23Å; K20-C60 VanDerWaalsContact CE-O 3.24Å; K20-C60 WeakPolarHBondContact CE-O 3.41Å; K20-C60 PolarHBondContact NZ-O 2.86Å; K20-E103 IonicContact NZ-OE1 2.99Å; K20-E103 PolarHBondContact NZ-OE1 3.1Å; K20-E103 IonicContact NZ-OE2 2.9Å
21L89.4Confident81.7Confident112 Ų11275 Ų7559%0.58642%0.42SS*.Hα-helixtrans-60.8-44.5177.5-67.5173.4000112Q17 Q18 V23 A24 H25Q17-L21 WeakPolarHBondContact O-CG 3.49Å; Q17-L21 PolarHBondContact O-N 3.01Å; Q17-L21 VanDerWaalsContact O-N 3.1Å; Q18-L21 PolarHBondContact O-N 3.06Å; L21-V23 PolarHBondContact O-N 3.41Å; L21-A24 PolarHBondContact O-N 2.75Å; L21-H25 PolarHBondContact O-N 3.12Å; L21-H25 VanDerWaalsContact O-N 3.07Å
22A89.7Confident80.5Confident54 Ų5478 Ų7845%0.44645%0.453SS..Hα-helixtrans-61.3-43.417700000112.3Q18 R19 K20 L26Q18-A22 PolarHBondContact O-N 2.75Å; R19-A22 PolarHBondContact O-N 3.3Å; K20-A22 PolarHBondContact O-N 2.95Å; A22-L26 WeakPolarHBondContact O-CG 3.44Å; A22-L26 PolarHBondContact O-N 2.78Å
23V88.4Confident79.9Confident32 Ų3278.6 Ų78.619%0.19446%0.46CS..Hα-helixtrans-65.7-43.6176.8171.70000111.2R19 K20 L21 H25 L26 V27 L55 H58 L59R19-V23 VanDerWaalsContact O-CG2 3.31Å; R19-V23 WeakPolarHBondContact O-CG2 3.39Å; R19-V23 PolarHBondContact O-N 3.49Å; K20-V23 PolarHBondContact O-N 3.22Å; L21-V23 PolarHBondContact O-N 3.41Å; V23-H25 VanDerWaalsContact C-N 3.34Å; V23-H25 PolarHBondContact O-N 2.93Å; V23-L26 PolarHBondContact O-N 3.29Å; V23-V27 HydrophobicContact CG1-CG2 4.25Å; V23-V27 VanDerWaalsContact O-CG2 3.23Å; V23-V27 WeakPolarHBondContact O-CG2 3.48Å; V23-V27 PolarHBondContact O-N 3Å; V23-V27 VanDerWaalsContact O-N 3.15Å; V23-L55 HydrophobicContact CG1-CD1 3.52Å; V23-H58 HydrophobicContact CB-CB 4.02Å; V23-H58 HydrophobicContact CG1-CB 3.96Å; V23-H58 HydrophobicContact CG2-CB 4.04Å; V23-L59 HydrophobicContact CG1-CD2 3.96Å; V23-L59 HydrophobicContact CG1-CG 4.27Å
24A85.6Confident79.5Confident22 Ų2280 Ų8018%0.18246%0.464CS..Hα-helixtrans-58.7-43.9178.500000112K20 L21 L26 V27 T28K20-A24 WeakPolarHBondContact O-CB 3.48Å; K20-A24 PolarHBondContact O-N 3.44Å; L21-A24 PolarHBondContact O-N 2.75Å; A24-L26 VanDerWaalsContact C-N 3.35Å; A24-L26 PolarHBondContact O-N 3.44Å; A24-V27 PolarHBondContact O-N 2.97Å; A24-T28 WeakPolarHBondContact O-CG2 3.46Å; A24-T28 PolarHBondContact O-N 2.98Å; A24-T28 PolarHBondContact O-OG1 3.04Å
25H84.3Confident79.4Confident145 Ų14575.2 Ų75.267%0.67144%0.442SS*.Hα-helixtrans-63.9-35177.2-71.5161.3000113.9L21 V23 V27 T28L21-H25 PolarHBondContact O-N 3.12Å; L21-H25 VanDerWaalsContact O-N 3.07Å; V23-H25 VanDerWaalsContact C-N 3.34Å; V23-H25 PolarHBondContact O-N 2.93Å; H25-V27 VanDerWaalsContact C-N 3.3Å; H25-T28 PolarHBondContact O-OG1 3.44Å
26L82.6Confident79.1Confident144 Ų14475.3 Ų75.375%0.75444%0.44SS*.Hα-helixtrans-69.9-31.4177.2-69.6170.3000112A22 V23 A24A22-L26 WeakPolarHBondContact O-CG 3.44Å; A22-L26 PolarHBondContact O-N 2.78Å; V23-L26 PolarHBondContact O-N 3.29Å; A24-L26 VanDerWaalsContact C-N 3.35Å; A24-L26 PolarHBondContact O-N 3.44Å
27V75.1Confident78.8Confident24 Ų2480 Ų8015%0.14547%0.465CS..Hα-helixtrans-89-26.5-172.4175.30000112.5V23 A24 H25 G29 S30 Y34 L55 L59V23-V27 HydrophobicContact CG1-CG2 4.25Å; V23-V27 VanDerWaalsContact O-CG2 3.23Å; V23-V27 WeakPolarHBondContact O-CG2 3.48Å; V23-V27 PolarHBondContact O-N 3Å; V23-V27 VanDerWaalsContact O-N 3.15Å; A24-V27 PolarHBondContact O-N 2.97Å; H25-V27 VanDerWaalsContact C-N 3.3Å; V27-G29 PolarHBondContact O-N 2.78Å; V27-S30 PolarHBondContact O-N 2.84Å; V27-Y34 HydrophobicContact CG1-CD2 3.46Å; V27-Y34 VanDerWaalsContact CG1-CD2 3.46Å; V27-Y34 HydrophobicContact CG1-CE1 4.39Å; V27-Y34 HydrophobicContact CG1-CE2 3.08Å; V27-Y34 HydrophobicContact CG1-CG 4.27Å; V27-L55 HydrophobicContact CG2-CD1 3.97Å; V27-L59 HydrophobicContact CB-CD2 4.28Å; V27-L59 HydrophobicContact CG1-CD1 4.24Å; V27-L59 HydrophobicContact CG1-CD2 4.34Å; V27-L59 HydrophobicContact CG2-CD2 4.26Å
28T61.1Low78.5Confident118 Ų11877.1 Ų77.172%0.72445%0.452SS*.THydrogen-bonded Turntrans-59.8-11.2178.338.70000115.1A24 H25A24-T28 WeakPolarHBondContact O-CG2 3.46Å; A24-T28 PolarHBondContact O-N 2.98Å; A24-T28 PolarHBondContact O-OG1 3.04Å; H25-T28 PolarHBondContact O-OG1 3.44Å
29G55.3Low78.3Confident75 Ų7575.6 Ų75.677%0.77344%0.44SS*.THydrogen-bonded Turntrans-88.5-13.4178.400000116V27V27-G29 PolarHBondContact O-N 2.78Å
30S50Low78.2Confident68 Ų6872 Ų7248%0.47643%0.43SS..SBendtrans-146.6112-175.566.40000113.5V27 Y34V27-S30 PolarHBondContact O-N 2.84Å; S30-Y34 WeakPolarHBondContact O-CE2 3.5Å; S30-Y34 PolarHBondContact O-OH 2.83Å; S30-Y34 VanDerWaalsContact O-OH 3.08Å
31A48.7Very low78Confident89 Ų8973 Ų7374%0.73643%0.434SS*.  trans61113.415300000120.4Y34A31-Y34 WeakPolarHBondContact O-CE2 3.42Å
32G59.9Low77.9Confident71 Ų7168.9 Ų68.973%0.73241%0.412SS*.SBendtrans76.2160.1147.800000117.9Y34G32-Y34 WeakPolarHBondContact O-CD2 3.43Å; G32-Y34 PolarHBondContact O-N 3.02Å
33N77.8Confident77.8Confident110 Ų11073 Ų7359%0.58842%0.422SS*.  trans-71.693.3169.4-176.4-1.4000108.6I35 E36 L37N33-I35 PolarHBondContact O-N 3.39Å; N33-I35 VanDerWaalsContact O-N 3.09Å; N33-I35 WeakPolarHBondContact OD1-CB 3.39Å; N33-I35 PolarHBondContact OD1-N 3.02Å; N33-E36 HydrophobicContact CB-CB 4.13Å; N33-E36 WeakPolarHBondContact O-CA 3.27Å; N33-E36 WeakPolarHBondContact O-CB 3.34Å; N33-E36 PolarHBondContact O-N 3.4Å; N33-L37 PolarHBondContact O-N 2.7Å
34Y81.1Confident77.9Confident55 Ų5579.1 Ų79.122%0.21644%0.442CS..Hα-helixtrans-50.8-35.3-179-83.1-96000113.2V27 S30 A31 G32 E36 L37 F38 L55 L59V27-Y34 HydrophobicContact CG1-CD2 3.46Å; V27-Y34 VanDerWaalsContact CG1-CD2 3.46Å; V27-Y34 HydrophobicContact CG1-CE1 4.39Å; V27-Y34 HydrophobicContact CG1-CE2 3.08Å; V27-Y34 HydrophobicContact CG1-CG 4.27Å; S30-Y34 WeakPolarHBondContact O-CE2 3.5Å; S30-Y34 PolarHBondContact O-OH 2.83Å; S30-Y34 VanDerWaalsContact O-OH 3.08Å; A31-Y34 WeakPolarHBondContact O-CE2 3.42Å; G32-Y34 WeakPolarHBondContact O-CD2 3.43Å; G32-Y34 PolarHBondContact O-N 3.02Å; Y34-E36 PolarHBondContact O-N 3.06Å; Y34-L37 WeakPolarHBondContact O-CB 3.11Å; Y34-L37 PolarHBondContact O-N 3.36Å; Y34-F38 VanDerWaalsContact O-CD2 3.22Å; Y34-F38 WeakPolarHBondContact O-CD2 3.39Å; Y34-F38 PolarHBondContact O-N 3.04Å; Y34-L55 HydrophobicContact CD1-CD2 4.17Å; Y34-L55 HydrophobicContact CE1-CD2 4.16Å; Y34-L59 HydrophobicContact CD1-CD1 4.35Å; Y34-L59 HydrophobicContact CD2-CD1 4.44Å; Y34-L59 HydrophobicContact CG-CD1 3.95Å
35I85.5Confident77.8Confident14 Ų1484.8 Ų84.87%0.07247%0.469CS..Hα-helixtrans-60.4-37.3176.9-57.1-59.5000111N33 F38 R39 L56 D65 V68N33-I35 PolarHBondContact O-N 3.39Å; N33-I35 VanDerWaalsContact O-N 3.09Å; N33-I35 WeakPolarHBondContact OD1-CB 3.39Å; N33-I35 PolarHBondContact OD1-N 3.02Å; I35-F38 PolarHBondContact O-N 3.47Å; I35-R39 PolarHBondContact O-N 3.26Å; I35-L56 HydrophobicContact CD1-CD1 3.46Å; I35-L56 VanDerWaalsContact CD1-CD1 3.46Å; I35-D65 HydrophobicContact CD1-CB 4.21Å; I35-V68 HydrophobicContact CG2-CB 4.3Å; I35-V68 HydrophobicContact CG2-CG1 4.25Å; I35-V68 HydrophobicContact CG2-CG2 3.95Å
36E85.5Confident77.9Confident75 Ų7581.7 Ų81.735%0.3546%0.455SS..Hα-helixtrans-72-37.7177.7-163.557.6-159.500111.9N33 Y34 F38 R39 E40N33-E36 HydrophobicContact CB-CB 4.13Å; N33-E36 WeakPolarHBondContact O-CA 3.27Å; N33-E36 WeakPolarHBondContact O-CB 3.34Å; N33-E36 PolarHBondContact O-N 3.4Å; Y34-E36 PolarHBondContact O-N 3.06Å; E36-F38 VanDerWaalsContact C-N 3.28Å; E36-F38 PolarHBondContact O-N 3.36Å; E36-R39 WeakPolarHBondContact O-CA 3.29Å; E36-R39 VanDerWaalsContact O-CB 3.3Å; E36-R39 WeakPolarHBondContact O-CB 3.41Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 WeakPolarHBondContact OE1-CD 3.49Å; E36-R39 IonicContact OE1-NE 3.45Å; E36-R39 WeakPolarHBondContact OE2-CD 3.33Å; E36-R39 IonicContact OE2-CZ 2.9Å; E36-R39 IonicContact OE2-NE 2.74Å; E36-R39 PolarHBondContact OE2-NE 2.89Å; E36-E40 PolarHBondContact O-N 3.42Å
37L85.9Confident78.1Confident104 Ų10477.5 Ų77.555%0.54543%0.433SS..Hα-helixtrans-58.9-41.4171.9-175.567.8000111.5N33 Y34 R39 E40 K41N33-L37 PolarHBondContact O-N 2.7Å; Y34-L37 WeakPolarHBondContact O-CB 3.11Å; Y34-L37 PolarHBondContact O-N 3.36Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-E40 PolarHBondContact O-N 3.26Å; L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.2Å; L37-K41 PolarHBondContact O-N 3.18Å
38F87Confident78.7Confident12 Ų1276.7 Ų76.75%0.05343%0.428CS..Hα-helixtrans-64.5-36.9172.9-84.3-78.7000112.4Y34 I35 E36 K41 M42 I48 E52 L56 V68Y34-F38 VanDerWaalsContact O-CD2 3.22Å; Y34-F38 WeakPolarHBondContact O-CD2 3.39Å; Y34-F38 PolarHBondContact O-N 3.04Å; I35-F38 PolarHBondContact O-N 3.47Å; E36-F38 VanDerWaalsContact C-N 3.28Å; E36-F38 PolarHBondContact O-N 3.36Å; F38-K41 PolarHBondContact O-N 2.78Å; F38-M42 WeakPolarHBondContact O-CB 3.49Å; F38-M42 WeakPolarHBondContact O-CG 3.49Å; F38-M42 PolarHBondContact O-N 2.94Å; F38-I48 HydrophobicContact CE1-CG2 4.09Å; F38-E52 HydrophobicContact CE1-CB 3.76Å; F38-E52 HydrophobicContact CZ-CB 3.72Å; F38-E52 WeakPolarHBondContact CZ-O 3.31Å; F38-L56 HydrophobicContact CB-CD1 4.35Å; F38-L56 HydrophobicContact CB-CD2 4.47Å; F38-L56 HydrophobicContact CD1-CB 4.39Å; F38-L56 HydrophobicContact CD1-CD2 3.94Å; F38-L56 HydrophobicContact CD2-CB 4.13Å; F38-L56 HydrophobicContact CD2-CD1 3.85Å; F38-L56 HydrophobicContact CD2-CG 4.38Å; F38-L56 HydrophobicContact CE1-CB 4.1Å; F38-L56 HydrophobicContact CE1-CD2 4.33Å; F38-L56 HydrophobicContact CE2-CB 3.86Å; F38-L56 HydrophobicContact CE2-CD1 4.39Å; F38-L56 HydrophobicContact CG-CB 4.42Å; F38-L56 HydrophobicContact CG-CD1 4.05Å; F38-L56 HydrophobicContact CG-CD2 4.06Å; F38-L56 HydrophobicContact CG-CG 4.41Å; F38-L56 HydrophobicContact CZ-CB 3.86Å; F38-V68 HydrophobicContact CB-CG1 4.27Å
39R87.4Confident79.9Confident100 Ų10075.6 Ų75.638%0.37742%0.417SS..Hα-helixtrans-62.8-49.1176.4-169.1-171.1-63.3-102.8-8.2111I35 E36 L37 M42 Q43I35-R39 PolarHBondContact O-N 3.26Å; E36-R39 WeakPolarHBondContact O-CA 3.29Å; E36-R39 VanDerWaalsContact O-CB 3.3Å; E36-R39 WeakPolarHBondContact O-CB 3.41Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 WeakPolarHBondContact OE1-CD 3.49Å; E36-R39 IonicContact OE1-NE 3.45Å; E36-R39 WeakPolarHBondContact OE2-CD 3.33Å; E36-R39 IonicContact OE2-CZ 2.9Å; E36-R39 IonicContact OE2-NE 2.74Å; E36-R39 PolarHBondContact OE2-NE 2.89Å; L37-R39 VanDerWaalsContact C-N 3.33Å; R39-M42 PolarHBondContact O-N 3.48Å; R39-Q43 WeakPolarHBondContact O-CG 3.46Å; R39-Q43 PolarHBondContact O-N 3.34Å
40E89.1Confident81.3Confident74 Ų7477.9 Ų77.935%0.34640%0.402SS..Hα-helixtrans-60.6-45.6176.8-70.1-176.6-16700111.6E36 L37 M42 Q43 R44E36-E40 PolarHBondContact O-N 3.42Å; L37-E40 PolarHBondContact O-N 3.26Å; E40-M42 VanDerWaalsContact C-N 3.32Å; E40-M42 PolarHBondContact O-N 3.06Å; E40-Q43 WeakPolarHBondContact O-CB 3.34Å; E40-Q43 PolarHBondContact O-N 3.44Å; E40-Q43 VanDerWaalsContact O-N 3.13Å; E40-R44 WeakPolarHBondContact O-CG 3.17Å; E40-R44 PolarHBondContact O-N 3.44Å; E40-R44 VanDerWaalsContact O-N 3.07Å; E40-R44 IonicContact OE2-NH2 2.76Å; E40-R44 PolarHBondContact OE2-NH2 3.35Å
41K89.2Confident83.1Confident35 Ų3579.1 Ų79.115%0.15240%0.404CS..Hα-helixtrans-58.8-43178.6-169.2167.3-170.91750112.1L37 F38 R44 N45 E46 L47 E52L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.2Å; L37-K41 PolarHBondContact O-N 3.18Å; F38-K41 PolarHBondContact O-N 2.78Å; K41-R44 PolarHBondContact O-N 3.46Å; K41-N45 PolarHBondContact O-N 3.03Å; K41-E46 HydrophobicContact CD-CB 4.38Å; K41-E46 WeakPolarHBondContact CE-OE2 3.5Å; K41-E46 HydrophobicContact CG-CB 3.6Å; K41-E46 HydrophobicContact CG-CG 4.41Å; K41-E46 WeakPolarHBondContact CG-OE2 3.31Å; K41-E46 PolarHBondContact O-N 3.18Å; K41-E46 VanDerWaalsContact O-N 3.15Å; K41-L47 WeakPolarHBondContact CE-O 3.39Å; K41-L47 PolarHBondContact NZ-O 2.66Å; K41-E52 IonicContact NZ-OE1 3.99Å; K41-E52 PolarHBondContact NZ-OE1 3.16Å; K41-E52 IonicContact NZ-OE2 2.77Å; K41-E52 PolarHBondContact NZ-OE2 3.05Å
42M86.6Confident85Confident26 Ų2677.5 Ų77.513%0.12838%0.381CS..Hα-helixtrans-67-37.6175-75.3-171.4-64.100112.9F38 R39 E40 R44 N45 I48 V68 K71 A72F38-M42 WeakPolarHBondContact O-CB 3.49Å; F38-M42 WeakPolarHBondContact O-CG 3.49Å; F38-M42 PolarHBondContact O-N 2.94Å; R39-M42 PolarHBondContact O-N 3.48Å; E40-M42 VanDerWaalsContact C-N 3.32Å; E40-M42 PolarHBondContact O-N 3.06Å; M42-R44 PolarHBondContact O-N 3.35Å; M42-N45 PolarHBondContact O-N 3.24Å; M42-I48 HydrophobicContact CG-CD1 3.79Å; M42-I48 HydrophobicContact SD-CD1 4.18Å; M42-V68 HydrophobicContact CE-CB 4.43Å; M42-V68 HydrophobicContact CE-CG1 3.44Å; M42-V68 VanDerWaalsContact CE-CG1 3.44Å; M42-K71 HydrophobicContact CE-CB 4.27Å; M42-K71 HydrophobicContact SD-CB 3.85Å; M42-A72 HydrophobicContact SD-CB 3.99Å; M42-A72 PolarHBondContact SD-N 3.04Å
43Q88.6Confident86.4Confident140 Ų14074.2 Ų74.265%0.65435%0.346SS*.Hα-helixtrans-62.6-31.6175.3-73.6173.5-1.400112.1R39 E40 N45R39-Q43 WeakPolarHBondContact O-CG 3.46Å; R39-Q43 PolarHBondContact O-N 3.34Å; E40-Q43 WeakPolarHBondContact O-CB 3.34Å; E40-Q43 PolarHBondContact O-N 3.44Å; E40-Q43 VanDerWaalsContact O-N 3.13Å; Q43-N45 VanDerWaalsContact C-N 3.26Å; Q43-N45 PolarHBondContact O-N 3.16Å
44R88.9Confident87Confident160 Ų16072.6 Ų72.660%0.60433%0.334SS*.THydrogen-bonded Turntrans-81.91.6175.2-63.1175.5-168.2173.19.2113.7E40 K41 M42 E46E40-R44 WeakPolarHBondContact O-CG 3.17Å; E40-R44 PolarHBondContact O-N 3.44Å; E40-R44 VanDerWaalsContact O-N 3.07Å; E40-R44 IonicContact OE2-NH2 2.76Å; E40-R44 PolarHBondContact OE2-NH2 3.35Å; K41-R44 PolarHBondContact O-N 3.46Å; M42-R44 PolarHBondContact O-N 3.35Å; R44-E46 HydrophobicContact CB-CG 3.89Å; R44-E46 VanDerWaalsContact CD-OE1 3.23Å; R44-E46 WeakPolarHBondContact CD-OE1 3.33Å; R44-E46 PolarHBondContact O-N 2.65Å
45N84.3Confident87.5Confident141 Ų14172.3 Ų72.375%0.75434%0.336SS*.THydrogen-bonded Turntrans53.631.4-174.5-64.2-40.4000113.6K41 M42 Q43K41-N45 PolarHBondContact O-N 3.03Å; M42-N45 PolarHBondContact O-N 3.24Å; Q43-N45 VanDerWaalsContact C-N 3.26Å; Q43-N45 PolarHBondContact O-N 3.16Å
46E87Confident87.8Confident80 Ų8071.6 Ų71.637%0.37433%0.333SS..PPolyproline II helixtrans-76.8150.4178.5-69.8176.2-155.800111.5K41 R44 I48K41-E46 HydrophobicContact CD-CB 4.38Å; K41-E46 WeakPolarHBondContact CE-OE2 3.5Å; K41-E46 HydrophobicContact CG-CB 3.6Å; K41-E46 HydrophobicContact CG-CG 4.41Å; K41-E46 WeakPolarHBondContact CG-OE2 3.31Å; K41-E46 PolarHBondContact O-N 3.18Å; K41-E46 VanDerWaalsContact O-N 3.15Å; R44-E46 HydrophobicContact CB-CG 3.89Å; R44-E46 VanDerWaalsContact CD-OE1 3.23Å; R44-E46 WeakPolarHBondContact CD-OE1 3.33Å; R44-E46 PolarHBondContact O-N 2.65Å; E46-I48 PolarHBondContact O-N 2.87Å
47L86.1Confident88.1Confident57 Ų5768 Ų6830%0.29832%0.316SS..PPolyproline II helixtrans-63.3124.6176174.959.3000110.8K41 L49 Y79K41-L47 WeakPolarHBondContact CE-O 3.39Å; K41-L47 PolarHBondContact NZ-O 2.66Å; L47-L49 HydrophobicContact CD2-CD2 3.86Å; L47-L49 HydrophobicContact CG-CD2 4.11Å; L47-Y79 HydrophobicContact CB-CD2 4.4Å; L47-Y79 HydrophobicContact CB-CE2 4.05Å; L47-Y79 HydrophobicContact CD1-CD1 3.36Å; L47-Y79 HydrophobicContact CD1-CD2 4Å; L47-Y79 HydrophobicContact CD1-CE1 3.52Å; L47-Y79 HydrophobicContact CD1-CE2 4.14Å; L47-Y79 HydrophobicContact CD1-CG 3.62Å; L47-Y79 HydrophobicContact CD2-CD1 4.49Å; L47-Y79 HydrophobicContact CD2-CE1 3.77Å; L47-Y79 HydrophobicContact CD2-CE2 4.5Å; L47-Y79 HydrophobicContact CG-CD1 4.44Å; L47-Y79 HydrophobicContact CG-CE1 4.15Å; L47-Y79 HydrophobicContact CG-CE2 4.45Å
48I87.9Confident88.4Confident6 Ų663.4 Ų63.43%0.03129%0.291CS..PPolyproline II helixtrans-85.6116.4168.7-56.1176.1000108.5F38 M42 E46 E52 L53 A72 V76F38-I48 HydrophobicContact CE1-CG2 4.09Å; M42-I48 HydrophobicContact CG-CD1 3.79Å; M42-I48 HydrophobicContact SD-CD1 4.18Å; E46-I48 PolarHBondContact O-N 2.87Å; I48-E52 HydrophobicContact CG2-CB 4.19Å; I48-L53 HydrophobicContact CG2-CB 3.94Å; I48-A72 HydrophobicContact CD1-CB 3.53Å; I48-V76 HydrophobicContact CB-CG2 3.89Å; I48-V76 HydrophobicContact CG2-CG2 4.32Å
49L86.7Confident88.7Confident95 Ų9564.1 Ų64.150%0.49730%0.295SS..PPolyproline II helixtrans-75.3161.7179.1-59.6176.8000111.3L47 D51 E52 L53L47-L49 HydrophobicContact CD2-CD2 3.86Å; L47-L49 HydrophobicContact CG-CD2 4.11Å; L49-D51 PolarHBondContact O-N 2.91Å; L49-E52 HydrophobicContact CB-CB 4.38Å; L49-E52 HydrophobicContact CB-CG 4.01Å; L49-E52 PolarHBondContact N-OE2 3.45Å; L49-E52 WeakPolarHBondContact O-CB 3.19Å; L49-E52 PolarHBondContact O-N 3.43Å; L49-L53 PolarHBondContact O-N 2.95Å
50R85.1Confident88.9Confident124 Ų12459.3 Ų59.347%0.46828%0.277SS..Hα-helixtrans-55.6-49.1-177.8-176.7-168.370.5-165.2-5.4112.9E52 L53 K54 F91 F93R50-E52 VanDerWaalsContact C-N 3.32Å; R50-L53 PolarHBondContact O-N 3.29Å; R50-K54 WeakPolarHBondContact O-CB 3.43Å; R50-K54 PolarHBondContact O-N 3.5Å; R50-F91 HydrophobicContact CG-CB 4.05Å; R50-F91 HydrophobicContact CG-CG 4.35Å; R50-F93 HydrophobicContact CB-CZ 4.22Å; R50-F93 HydrophobicContact CG-CE1 4.46Å; R50-F93 HydrophobicContact CG-CE2 4.28Å; R50-F93 HydrophobicContact CG-CZ 3.59Å
51D86.6Confident89Confident94 Ų9462.2 Ų62.250%0.50329%0.291SS..Hα-helixtrans-75-27.2-175.3-61.8-26.9000111.4L49 L55L49-D51 PolarHBondContact O-N 2.91Å; D51-L55 WeakPolarHBondContact O-CB 3.38Å; D51-L55 PolarHBondContact O-N 3.34Å
52E89Confident89.2Confident55 Ų5563.2 Ų63.226%0.25730%0.3SS..Hα-helixtrans-65.9-50.9170.3-65.1-17914400111F38 K41 I48 L49 R50 K54 L55 L56F38-E52 HydrophobicContact CE1-CB 3.76Å; F38-E52 HydrophobicContact CZ-CB 3.72Å; F38-E52 WeakPolarHBondContact CZ-O 3.31Å; K41-E52 IonicContact NZ-OE1 3.99Å; K41-E52 PolarHBondContact NZ-OE1 3.16Å; K41-E52 IonicContact NZ-OE2 2.77Å; K41-E52 PolarHBondContact NZ-OE2 3.05Å; I48-E52 HydrophobicContact CG2-CB 4.19Å; L49-E52 HydrophobicContact CB-CB 4.38Å; L49-E52 HydrophobicContact CB-CG 4.01Å; L49-E52 PolarHBondContact N-OE2 3.45Å; L49-E52 WeakPolarHBondContact O-CB 3.19Å; L49-E52 PolarHBondContact O-N 3.43Å; R50-E52 VanDerWaalsContact C-N 3.32Å; E52-K54 VanDerWaalsContact C-N 3.26Å; E52-K54 PolarHBondContact O-N 3.12Å; E52-L55 WeakPolarHBondContact O-CB 3.43Å; E52-L55 PolarHBondContact O-N 3.02Å; E52-L55 VanDerWaalsContact O-N 3.1Å; E52-L56 PolarHBondContact O-N 2.91Å
53L89.5Confident89.5Confident1 Ų165.5 Ų65.51%0.00532%0.317CS..Hα-helixtrans-60.6-39.3176.8178.159.3000111.5I48 L49 R50 L56 L57 A72 I73 V76 F93I48-L53 HydrophobicContact CG2-CB 3.94Å; L49-L53 PolarHBondContact O-N 2.95Å; R50-L53 PolarHBondContact O-N 3.29Å; L53-L56 HydrophobicContact CD1-CD2 4.36Å; L53-L56 PolarHBondContact O-N 3.26Å; L53-L57 HydrophobicContact CD1-CD1 4.46Å; L53-L57 HydrophobicContact CD1-CG 4.35Å; L53-L57 HydrophobicContact CG-CD1 4.33Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 3.09Å; L53-A72 HydrophobicContact CD1-CB 3.93Å; L53-I73 HydrophobicContact CD1-CG1 4.08Å; L53-I73 HydrophobicContact CD2-CG1 4.02Å; L53-V76 HydrophobicContact CD2-CG2 4.2Å; L53-F93 HydrophobicContact CB-CD1 4.45Å; L53-F93 HydrophobicContact CB-CE1 3.81Å; L53-F93 HydrophobicContact CB-CZ 4.18Å; L53-F93 HydrophobicContact CD2-CD1 3.52Å; L53-F93 HydrophobicContact CD2-CD2 4Å; L53-F93 HydrophobicContact CD2-CE1 3.53Å; L53-F93 HydrophobicContact CD2-CE2 4.01Å; L53-F93 HydrophobicContact CD2-CG 3.75Å; L53-F93 HydrophobicContact CD2-CZ 3.77Å; L53-F93 HydrophobicContact CG-CD1 3.76Å; L53-F93 HydrophobicContact CG-CE1 3.63Å; L53-F93 HydrophobicContact CG-CG 4.47Å; L53-F93 HydrophobicContact CG-CZ 4.23Å
54K90.1Very high89.6Confident76 Ų7664 Ų6433%0.3331%0.314SS..Hα-helixtrans-61.3-46.1174.5-175.6-176.1177.1-171.50110.9R50 E52 L57 H58 F91 F93R50-K54 WeakPolarHBondContact O-CB 3.43Å; R50-K54 PolarHBondContact O-N 3.5Å; E52-K54 VanDerWaalsContact C-N 3.26Å; E52-K54 PolarHBondContact O-N 3.12Å; K54-L57 PolarHBondContact O-N 3.19Å; K54-H58 PolarHBondContact O-N 3.15Å; K54-H58 PolarHBondContact O-ND1 3.06Å; K54-F91 HydrophobicContact CB-CE1 4.36Å; K54-F91 HydrophobicContact CB-CZ 4.42Å; K54-F91 HydrophobicContact CD-CE1 4.35Å; K54-F91 HydrophobicContact CD-CE2 4.07Å; K54-F91 HydrophobicContact CD-CZ 3.64Å; K54-F91 HydrophobicContact CG-CE1 4.25Å; K54-F91 HydrophobicContact CG-CZ 3.88Å; K54-F93 HydrophobicContact CB-CE1 4.46Å
55L90.8Very high89.8Confident49 Ų4957.8 Ų57.826%0.25729%0.292SS..Hα-helixtrans-58.6-49.9176.9178.662000111V23 V27 Y34 D51 E52 L57 H58 L59V23-L55 HydrophobicContact CG1-CD1 3.52Å; V27-L55 HydrophobicContact CG2-CD1 3.97Å; Y34-L55 HydrophobicContact CD1-CD2 4.17Å; Y34-L55 HydrophobicContact CE1-CD2 4.16Å; D51-L55 WeakPolarHBondContact O-CB 3.38Å; D51-L55 PolarHBondContact O-N 3.34Å; E52-L55 WeakPolarHBondContact O-CB 3.43Å; E52-L55 PolarHBondContact O-N 3.02Å; E52-L55 VanDerWaalsContact O-N 3.1Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.91Å; L55-H58 PolarHBondContact O-N 3.41Å; L55-L59 HydrophobicContact CD1-CD1 3.75Å; L55-L59 HydrophobicContact CD1-CG 3.99Å; L55-L59 HydrophobicContact CD2-CD1 4.44Å; L55-L59 HydrophobicContact CG-CD1 3.78Å; L55-L59 HydrophobicContact CG-CG 4.35Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 2.77Å
56L91.8Very high90.3Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-51.7-50.9176.9176.159.9000111.6I35 F38 E52 L53 H58 L59 C60 V68 A69 A72I35-L56 HydrophobicContact CD1-CD1 3.46Å; I35-L56 VanDerWaalsContact CD1-CD1 3.46Å; F38-L56 HydrophobicContact CB-CD1 4.35Å; F38-L56 HydrophobicContact CB-CD2 4.47Å; F38-L56 HydrophobicContact CD1-CB 4.39Å; F38-L56 HydrophobicContact CD1-CD2 3.94Å; F38-L56 HydrophobicContact CD2-CB 4.13Å; F38-L56 HydrophobicContact CD2-CD1 3.85Å; F38-L56 HydrophobicContact CD2-CG 4.38Å; F38-L56 HydrophobicContact CE1-CB 4.1Å; F38-L56 HydrophobicContact CE1-CD2 4.33Å; F38-L56 HydrophobicContact CE2-CB 3.86Å; F38-L56 HydrophobicContact CE2-CD1 4.39Å; F38-L56 HydrophobicContact CG-CB 4.42Å; F38-L56 HydrophobicContact CG-CD1 4.05Å; F38-L56 HydrophobicContact CG-CD2 4.06Å; F38-L56 HydrophobicContact CG-CG 4.41Å; F38-L56 HydrophobicContact CZ-CB 3.86Å; E52-L56 PolarHBondContact O-N 2.91Å; L53-L56 HydrophobicContact CD1-CD2 4.36Å; L53-L56 PolarHBondContact O-N 3.26Å; L56-H58 VanDerWaalsContact C-N 3.27Å; L56-H58 PolarHBondContact O-N 3.47Å; L56-L59 PolarHBondContact O-N 3.35Å; L56-L59 VanDerWaalsContact O-N 3.15Å; L56-C60 PolarHBondContact O-N 2.89Å; L56-C60 PolarHBondContact O-SG 3.29Å; L56-V68 HydrophobicContact CD1-CG1 4.4Å; L56-A69 HydrophobicContact CD2-CB 4.45Å; L56-A69 HydrophobicContact CG-CB 4.46Å; L56-A72 HydrophobicContact CD2-CB 3.61Å
57L93.1Very high90.6Very high0 Ų051.2 Ų51.20%026%0.259CS..Hα-helixtrans-62.5-30.2-179.6-68.9171.9000113.6L53 K54 L55 A69 F93 L96 F97 L100L53-L57 HydrophobicContact CD1-CD1 4.46Å; L53-L57 HydrophobicContact CD1-CG 4.35Å; L53-L57 HydrophobicContact CG-CD1 4.33Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 3.09Å; K54-L57 PolarHBondContact O-N 3.19Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.91Å; L57-A69 HydrophobicContact CD2-CB 3.89Å; L57-F93 HydrophobicContact CD1-CD1 4.06Å; L57-L96 HydrophobicContact CD1-CB 4.07Å; L57-F97 HydrophobicContact CD2-CB 4.45Å; L57-F97 HydrophobicContact CD2-CD2 4.01Å; L57-L100 HydrophobicContact CD2-CD2 4.1Å
58H92.6Very high90.9Very high7 Ų748.8 Ų48.83%0.03225%0.246CC..Hα-helixtrans-81.7-27176.9-70.282.2000112.7K20 V23 K54 L55 L56K20-H58 WeakPolarHBondContact CE-O 3.45Å; K20-H58 HydrophobicContact CG-CB 4.36Å; K20-H58 WeakPolarHBondContact CG-O 3.23Å; V23-H58 HydrophobicContact CB-CB 4.02Å; V23-H58 HydrophobicContact CG1-CB 3.96Å; V23-H58 HydrophobicContact CG2-CB 4.04Å; K54-H58 PolarHBondContact O-N 3.15Å; K54-H58 PolarHBondContact O-ND1 3.06Å; L55-H58 PolarHBondContact O-N 3.41Å; L56-H58 VanDerWaalsContact C-N 3.27Å; L56-H58 PolarHBondContact O-N 3.47Å
59L91.6Very high91.2Very high26 Ų2648.5 Ų48.514%0.13625%0.245CC..Hα-helixtrans-85.4-20.1179.8-68.8179.6000114V23 V27 Y34 L55 L56 Q61V23-L59 HydrophobicContact CG1-CD2 3.96Å; V23-L59 HydrophobicContact CG1-CG 4.27Å; V27-L59 HydrophobicContact CB-CD2 4.28Å; V27-L59 HydrophobicContact CG1-CD1 4.24Å; V27-L59 HydrophobicContact CG1-CD2 4.34Å; V27-L59 HydrophobicContact CG2-CD2 4.26Å; Y34-L59 HydrophobicContact CD1-CD1 4.35Å; Y34-L59 HydrophobicContact CD2-CD1 4.44Å; Y34-L59 HydrophobicContact CG-CD1 3.95Å; L55-L59 HydrophobicContact CD1-CD1 3.75Å; L55-L59 HydrophobicContact CD1-CG 3.99Å; L55-L59 HydrophobicContact CD2-CD1 4.44Å; L55-L59 HydrophobicContact CG-CD1 3.78Å; L55-L59 HydrophobicContact CG-CG 4.35Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 2.77Å; L56-L59 PolarHBondContact O-N 3.35Å; L56-L59 VanDerWaalsContact O-N 3.15Å; L59-Q61 PolarHBondContact O-N 2.88Å
60C92.3Very high91.6Very high0 Ų047 Ų470%023%0.233CC..  trans-59.3127.5177.7-70.60000111.7K20 L56 D65 L100K20-C60 VanDerWaalsContact CE-O 3.24Å; K20-C60 WeakPolarHBondContact CE-O 3.41Å; K20-C60 PolarHBondContact NZ-O 2.86Å; L56-C60 PolarHBondContact O-N 2.89Å; L56-C60 PolarHBondContact O-SG 3.29Å; C60-D65 HydrophobicContact CB-CB 3.78Å; C60-L100 HydrophobicContact CB-CD1 4.04Å; C60-L100 HydrophobicContact CB-CD2 3.48Å; C60-L100 VanDerWaalsContact CB-CD2 3.48Å; C60-L100 HydrophobicContact CB-CG 4.32Å
61Q91.1Very high92Very high134 Ų13447.6 Ų47.663%0.62624%0.239SC*.  trans-124.1-21.4179.2-67.3-1791000112.9L59 D65 L104L59-Q61 PolarHBondContact O-N 2.88Å; Q61-D65 PolarHBondContact N-OD2 3.2Å; Q61-L104 VanDerWaalsContact O-CD2 3.25Å; Q61-L104 WeakPolarHBondContact O-CD2 3.47Å
62T92.9Very high92.2Very high57 Ų5743.1 Ų43.135%0.3522%0.215SC..SBendtrans-118.9160.8-174.370.50000112.2D64 D65 M66T62-D64 PolarHBondContact O-N 3.02Å; T62-D64 PolarHBondContact OG1-N 2.9Å; T62-D65 PolarHBondContact N-OD2 3.18Å; T62-D65 PolarHBondContact O-N 3.41Å; T62-D65 PolarHBondContact OG1-N 3.24Å; T62-D65 VanDerWaalsContact OG1-N 3.15Å; T62-D65 PolarHBondContact OG1-OD1 3.4Å; T62-D65 PolarHBondContact OG1-OD2 3.11Å; T62-M66 PolarHBondContact O-N 3.43Å; T62-M66 VanDerWaalsContact O-N 3.13Å
63P93.4Very high92.4Very high73 Ų7340.5 Ų40.547%0.47420%0.202SC..Hα-helixtrans-56.7-30.7169.9-26.636.3000113.7M66 L67 M106P63-M66 WeakPolarHBondContact O-CB 3.4Å; P63-M66 PolarHBondContact O-N 2.86Å; P63-L67 PolarHBondContact O-N 2.98Å; P63-M106 HydrophobicContact CB-CE 4.13Å; P63-M106 HydrophobicContact CB-SD 4.08Å
64D91.8Very high92.5Very high110 Ų11042.9 Ų42.959%0.58821%0.212SC*.Hα-helixtrans-70.1-41.3177.1-70.8-30.4000111.8T62 M66 L67 V68T62-D64 PolarHBondContact O-N 3.02Å; T62-D64 PolarHBondContact OG1-N 2.9Å; D64-M66 PolarHBondContact O-N 3.03Å; D64-L67 WeakPolarHBondContact O-CB 3.23Å; D64-L67 PolarHBondContact O-N 3.1Å; D64-L67 VanDerWaalsContact O-N 3.13Å; D64-V68 PolarHBondContact O-N 3.14Å
65D93Very high92.5Very high28 Ų2840.7 Ų40.715%0.1521%0.206CC..Hα-helixtrans-60.4-37.4172.8-52.8-31.3000110.7I35 C60 Q61 T62 L67 V68 A69I35-D65 HydrophobicContact CD1-CB 4.21Å; C60-D65 HydrophobicContact CB-CB 3.78Å; Q61-D65 PolarHBondContact N-OD2 3.2Å; T62-D65 PolarHBondContact N-OD2 3.18Å; T62-D65 PolarHBondContact O-N 3.41Å; T62-D65 PolarHBondContact OG1-N 3.24Å; T62-D65 VanDerWaalsContact OG1-N 3.15Å; T62-D65 PolarHBondContact OG1-OD1 3.4Å; T62-D65 PolarHBondContact OG1-OD2 3.11Å; D65-L67 VanDerWaalsContact C-N 3.28Å; D65-L67 PolarHBondContact O-N 2.69Å; D65-V68 CarbonylContact O-C 3.58Å; D65-V68 WeakPolarHBondContact O-CA 3.28Å; D65-V68 VanDerWaalsContact O-CB 3.3Å; D65-V68 WeakPolarHBondContact O-CB 3.36Å; D65-V68 PolarHBondContact O-N 3.14Å; D65-A69 PolarHBondContact O-N 2.71Å
66M93.9Very high92.3Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-63.9-33.6178.2-167.970.1-155.200112.3T62 P63 D64 V68 A69 R70 F97 L100 C101 L104 M106 M109T62-M66 PolarHBondContact O-N 3.43Å; T62-M66 VanDerWaalsContact O-N 3.13Å; P63-M66 WeakPolarHBondContact O-CB 3.4Å; P63-M66 PolarHBondContact O-N 2.86Å; D64-M66 PolarHBondContact O-N 3.03Å; M66-V68 VanDerWaalsContact C-N 3.3Å; M66-V68 PolarHBondContact O-N 3.38Å; M66-A69 PolarHBondContact O-N 3.36Å; M66-A69 HydrophobicContact SD-CB 4.47Å; M66-R70 WeakPolarHBondContact O-CB 3.44Å; M66-R70 PolarHBondContact O-N 2.96Å; M66-F97 HydrophobicContact CE-CD1 3.96Å; M66-F97 HydrophobicContact CE-CD2 3.4Å; M66-F97 HydrophobicContact CE-CE1 3.62Å; M66-F97 HydrophobicContact CE-CE2 3.04Å; M66-F97 HydrophobicContact CE-CG 3.89Å; M66-F97 HydrophobicContact CE-CZ 3.16Å; M66-L100 HydrophobicContact CE-CD2 4.41Å; M66-L100 HydrophobicContact SD-CB 4.14Å; M66-L100 HydrophobicContact SD-CD2 3.3Å; M66-L100 WeakPolarHBondContact SD-CD2 3.5Å; M66-L100 HydrophobicContact SD-CG 3.52Å; M66-L100 VanDerWaalsContact SD-CG 3.52Å; M66-C101 WeakPolarHBondContact CE-SG 3.36Å; M66-L104 HydrophobicContact CB-CD1 4.06Å; M66-L104 HydrophobicContact CG-CD1 4.47Å; M66-L104 HydrophobicContact SD-CD1 4.41Å; M66-M106 HydrophobicContact CB-CE 4.03Å; M66-M106 HydrophobicContact CB-SD 3.47Å; M66-M106 WeakPolarHBondContact CB-SD 3.14Å; M66-M106 HydrophobicContact CG-CE 4.01Å; M66-M106 HydrophobicContact CG-SD 3.45Å; M66-M106 WeakPolarHBondContact CG-SD 3.49Å; M66-M109 HydrophobicContact CB-SD 4.38Å; M66-M109 HydrophobicContact CE-SD 3.95Å; M66-M109 HydrophobicContact CG-CE 4.28Å; M66-M109 HydrophobicContact CG-SD 3.42Å; M66-M109 WeakPolarHBondContact CG-SD 3.35Å
67L93.3Very high92.1Very high83 Ų8341 Ų4144%0.43521%0.206SC..Hα-helixtrans-63.5-38.6172.2-66169.4000111.3P63 D64 D65 K71 M109P63-L67 PolarHBondContact O-N 2.98Å; D64-L67 WeakPolarHBondContact O-CB 3.23Å; D64-L67 PolarHBondContact O-N 3.1Å; D64-L67 VanDerWaalsContact O-N 3.13Å; D65-L67 VanDerWaalsContact C-N 3.28Å; D65-L67 PolarHBondContact O-N 2.69Å; L67-K71 WeakPolarHBondContact O-CG 3.47Å; L67-K71 PolarHBondContact O-N 3.02Å; L67-M109 HydrophobicContact CD2-CE 3.42Å; L67-M109 VanDerWaalsContact CD2-CE 3.42Å; L67-M109 HydrophobicContact CG-CE 4.14Å
68V93.4Very high91.8Very high6 Ų648.8 Ų48.84%0.03624%0.236CC..Hα-helixtrans-64.9-47174.2-178.10000110.1I35 F38 M42 L56 D64 D65 M66 R70 K71 A72I35-V68 HydrophobicContact CG2-CB 4.3Å; I35-V68 HydrophobicContact CG2-CG1 4.25Å; I35-V68 HydrophobicContact CG2-CG2 3.95Å; F38-V68 HydrophobicContact CB-CG1 4.27Å; M42-V68 HydrophobicContact CE-CB 4.43Å; M42-V68 HydrophobicContact CE-CG1 3.44Å; M42-V68 VanDerWaalsContact CE-CG1 3.44Å; L56-V68 HydrophobicContact CD1-CG1 4.4Å; D64-V68 PolarHBondContact O-N 3.14Å; D65-V68 CarbonylContact O-C 3.58Å; D65-V68 WeakPolarHBondContact O-CA 3.28Å; D65-V68 VanDerWaalsContact O-CB 3.3Å; D65-V68 WeakPolarHBondContact O-CB 3.36Å; D65-V68 PolarHBondContact O-N 3.14Å; M66-V68 VanDerWaalsContact C-N 3.3Å; M66-V68 PolarHBondContact O-N 3.38Å; V68-R70 VanDerWaalsContact C-N 3.33Å; V68-R70 PolarHBondContact O-N 3.15Å; V68-K71 PolarHBondContact O-N 3.4Å; V68-A72 WeakPolarHBondContact O-CB 3.27Å; V68-A72 PolarHBondContact O-N 3.04Å
69A93.6Very high91.4Very high0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-60-40.5176.900000113L56 L57 D65 M66 A72 I73L56-A69 HydrophobicContact CD2-CB 4.45Å; L56-A69 HydrophobicContact CG-CB 4.46Å; L57-A69 HydrophobicContact CD2-CB 3.89Å; D65-A69 PolarHBondContact O-N 2.71Å; M66-A69 PolarHBondContact O-N 3.36Å; M66-A69 HydrophobicContact SD-CB 4.47Å; A69-A72 PolarHBondContact O-N 3.21Å; A69-I73 PolarHBondContact O-N 3.22Å; A69-I73 VanDerWaalsContact O-N 3.12Å
70R94.9Very high90.8Very high64 Ų6453 Ų5324%0.24225%0.252CS..Hα-helixtrans-62.1-50.3174.2-175.2178.1175-172.40.4110.6M66 V68 A72 I73 Y74 F97 M109 T113M66-R70 WeakPolarHBondContact O-CB 3.44Å; M66-R70 PolarHBondContact O-N 2.96Å; V68-R70 VanDerWaalsContact C-N 3.33Å; V68-R70 PolarHBondContact O-N 3.15Å; R70-A72 VanDerWaalsContact C-N 3.27Å; R70-A72 PolarHBondContact O-N 3.48Å; R70-I73 PolarHBondContact O-N 2.92Å; R70-Y74 HydrophobicContact CG-CD2 4.1Å; R70-Y74 HydrophobicContact CG-CE2 3.76Å; R70-Y74 PolarHBondContact NH2-OH 3.43Å; R70-Y74 VanDerWaalsContact O-CD2 3.22Å; R70-Y74 WeakPolarHBondContact O-CD2 3.23Å; R70-Y74 PolarHBondContact O-N 3.42Å; R70-F97 HydrophobicContact CB-CE2 4.11Å; R70-F97 HydrophobicContact CB-CZ 4.08Å; R70-F97 HydrophobicContact CG-CZ 4.24Å; R70-M109 HydrophobicContact CB-SD 4.24Å; R70-T113 PolarHBondContact NE-OG1 3.43Å
71K93.2Very high90.3Very high136 Ų13656.5 Ų56.559%0.59128%0.281SS*.Hα-helixtrans-57.1-41176.9-72.8176.8-178.4-177.30112.1M42 L67 V68 I73 Y74 S75M42-K71 HydrophobicContact CE-CB 4.27Å; M42-K71 HydrophobicContact SD-CB 3.85Å; L67-K71 WeakPolarHBondContact O-CG 3.47Å; L67-K71 PolarHBondContact O-N 3.02Å; V68-K71 PolarHBondContact O-N 3.4Å; K71-I73 PolarHBondContact O-N 3.34Å; K71-Y74 PolarHBondContact O-N 2.81Å; K71-S75 PolarHBondContact O-N 3.25Å
72A92.2Very high89.9Confident0 Ų055.4 Ų55.40%028%0.276CS..Hα-helixtrans-60.3-43.5177.900000112.4M42 I48 L53 L56 V68 A69 R70 Y74 S75 V76M42-A72 HydrophobicContact SD-CB 3.99Å; M42-A72 PolarHBondContact SD-N 3.04Å; I48-A72 HydrophobicContact CD1-CB 3.53Å; L53-A72 HydrophobicContact CD1-CB 3.93Å; L56-A72 HydrophobicContact CD2-CB 3.61Å; V68-A72 WeakPolarHBondContact O-CB 3.27Å; V68-A72 PolarHBondContact O-N 3.04Å; A69-A72 PolarHBondContact O-N 3.21Å; R70-A72 VanDerWaalsContact C-N 3.27Å; R70-A72 PolarHBondContact O-N 3.48Å; A72-Y74 PolarHBondContact O-N 2.77Å; A72-S75 WeakPolarHBondContact O-CB 3.39Å; A72-S75 PolarHBondContact O-N 3.17Å; A72-V76 WeakPolarHBondContact O-CG2 3.47Å; A72-V76 PolarHBondContact O-N 3.03Å
73I91.9Very high89Confident0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-62.3-40.7176-77.3-177.3000112.1L53 A69 R70 K71 V76 K77 F97 M119 F122 F123L53-I73 HydrophobicContact CD1-CG1 4.08Å; L53-I73 HydrophobicContact CD2-CG1 4.02Å; A69-I73 PolarHBondContact O-N 3.22Å; A69-I73 VanDerWaalsContact O-N 3.12Å; R70-I73 PolarHBondContact O-N 2.92Å; K71-I73 PolarHBondContact O-N 3.34Å; I73-V76 PolarHBondContact O-N 3.08Å; I73-K77 PolarHBondContact O-N 3.47Å; I73-F97 HydrophobicContact CD1-CB 3.95Å; I73-F97 HydrophobicContact CD1-CD2 3.17Å; I73-F97 HydrophobicContact CD1-CE2 3.7Å; I73-F97 HydrophobicContact CD1-CG 3.72Å; I73-F97 HydrophobicContact CG1-CD2 4.39Å; I73-M119 HydrophobicContact CG2-CE 3.29Å; I73-M119 HydrophobicContact CG2-SD 4.38Å; I73-F122 HydrophobicContact CB-CZ 4.38Å; I73-F122 HydrophobicContact CG1-CZ 4.36Å; I73-F122 HydrophobicContact CG2-CD1 4.16Å; I73-F122 HydrophobicContact CG2-CD2 4.46Å; I73-F122 HydrophobicContact CG2-CE1 3.62Å; I73-F122 HydrophobicContact CG2-CE2 4Å; I73-F122 HydrophobicContact CG2-CZ 3.57Å; I73-F123 HydrophobicContact CG2-CZ 4.33Å
74Y91.9Very high87.5Confident51 Ų5163.4 Ų63.420%0.230%0.295CS..Hα-helixtrans-67-40176.2-81.5-114000111.4R70 K71 A72 V76 K77 R78 T113 D116 D118 M119R70-Y74 HydrophobicContact CG-CD2 4.1Å; R70-Y74 HydrophobicContact CG-CE2 3.76Å; R70-Y74 PolarHBondContact NH2-OH 3.43Å; R70-Y74 VanDerWaalsContact O-CD2 3.22Å; R70-Y74 WeakPolarHBondContact O-CD2 3.23Å; R70-Y74 PolarHBondContact O-N 3.42Å; K71-Y74 PolarHBondContact O-N 2.81Å; A72-Y74 PolarHBondContact O-N 2.77Å; Y74-V76 VanDerWaalsContact C-N 3.32Å; Y74-V76 PolarHBondContact O-N 3.1Å; Y74-K77 WeakPolarHBondContact O-CB 3.3Å; Y74-K77 PolarHBondContact O-N 3.34Å; Y74-R78 WeakPolarHBondContact O-CB 3.36Å; Y74-R78 PolarHBondContact O-N 3.36Å; Y74-T113 HydrophobicContact CE2-CG2 4.21Å; Y74-D116 VanDerWaalsContact CE1-OD2 3.32Å; Y74-D116 WeakPolarHBondContact CE1-OD2 3.36Å; Y74-D116 VanDerWaalsContact CZ-OD2 3.32Å; Y74-D116 WeakPolarHBondContact OH-CB 3.49Å; Y74-D116 VanDerWaalsContact OH-CG 3.29Å; Y74-D116 PolarHBondContact OH-OD2 3.39Å; Y74-D118 HydrophobicContact CE1-CB 4.39Å; Y74-M119 HydrophobicContact CD1-CG 4.44Å; Y74-M119 HydrophobicContact CD1-SD 3.84Å; Y74-M119 HydrophobicContact CD2-CG 4.39Å; Y74-M119 HydrophobicContact CD2-SD 3.64Å; Y74-M119 HydrophobicContact CE1-CG 3.83Å; Y74-M119 HydrophobicContact CE1-SD 3.85Å; Y74-M119 HydrophobicContact CE2-CG 3.79Å; Y74-M119 HydrophobicContact CE2-SD 3.67Å; Y74-M119 HydrophobicContact CG-SD 3.77Å; Y74-M119 VanDerWaalsContact CZ-CG 3.49Å
75S89.6Confident86Confident31 Ų3162.5 Ų62.522%0.21729%0.29CS..Hα-helixtrans-59.7-43.9175.1-167.30000111.4K71 A72 R78 Y79K71-S75 PolarHBondContact O-N 3.25Å; A72-S75 WeakPolarHBondContact O-CB 3.39Å; A72-S75 PolarHBondContact O-N 3.17Å; S75-R78 PolarHBondContact O-N 3.43Å; S75-Y79 WeakPolarHBondContact O-CB 3.08Å; S75-Y79 PolarHBondContact O-N 3.39Å
76V87.5Confident84.1Confident11 Ų1169 Ų697%0.06732%0.324CS..Hα-helixtrans-62.5-48175.6172.30000110.3I48 L53 A72 I73 Y74 R78 Y79 H80 F122I48-V76 HydrophobicContact CB-CG2 3.89Å; I48-V76 HydrophobicContact CG2-CG2 4.32Å; L53-V76 HydrophobicContact CD2-CG2 4.2Å; A72-V76 WeakPolarHBondContact O-CG2 3.47Å; A72-V76 PolarHBondContact O-N 3.03Å; I73-V76 PolarHBondContact O-N 3.08Å; Y74-V76 VanDerWaalsContact C-N 3.32Å; Y74-V76 PolarHBondContact O-N 3.1Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 2.98Å; V76-Y79 PolarHBondContact O-N 2.87Å; V76-H80 PolarHBondContact O-CD2 3.02Å; V76-H80 PolarHBondContact O-N 3.39Å; V76-F122 HydrophobicContact CG1-CE2 4.23Å
77K86.8Confident82.1Confident44 Ų4475.6 Ų75.619%0.19136%0.359CS..Hα-helixtrans-54.3-49.3176.3175.553.3174-1780111.8I73 Y74 H80 A81 Y88 D118 M119 K120 F122I73-K77 PolarHBondContact O-N 3.47Å; Y74-K77 WeakPolarHBondContact O-CB 3.3Å; Y74-K77 PolarHBondContact O-N 3.34Å; K77-H80 PolarHBondContact O-N 2.98Å; K77-A81 PolarHBondContact O-N 3.37Å; K77-A81 VanDerWaalsContact O-N 3.07Å; K77-Y88 VanDerWaalsContact CD-OH 3.24Å; K77-Y88 WeakPolarHBondContact CD-OH 3.24Å; K77-D118 VanDerWaalsContact CE-O 3.31Å; K77-D118 WeakPolarHBondContact CE-O 3.32Å; K77-M119 HydrophobicContact CB-CE 4.48Å; K77-M119 HydrophobicContact CB-SD 4.28Å; K77-M119 HydrophobicContact CG-SD 4.31Å; K77-K120 WeakPolarHBondContact CE-O 3.41Å; K77-K120 PolarHBondContact NZ-O 3.37Å; K77-F122 HydrophobicContact CB-CD2 3.73Å; K77-F122 HydrophobicContact CB-CE2 4.27Å; K77-F122 HydrophobicContact CD-CB 4.19Å; K77-F122 HydrophobicContact CD-CD2 4.08Å; K77-F122 HydrophobicContact CG-CD2 4.29Å
78R87.6Confident80.4Confident164 Ų16474.9 Ų74.962%0.61935%0.351SS*.Hα-helixtrans-59.9-51.1179.6179.1179.1176.2135.88.4111.4Y74 S75 V76 H80 A81 E82Y74-R78 WeakPolarHBondContact O-CB 3.36Å; Y74-R78 PolarHBondContact O-N 3.36Å; S75-R78 PolarHBondContact O-N 3.43Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 2.98Å; R78-H80 VanDerWaalsContact C-N 3.3Å; R78-H80 PolarHBondContact O-N 2.63Å; R78-A81 WeakPolarHBondContact O-CB 3.09Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-A81 VanDerWaalsContact O-N 3.09Å; R78-E82 HydrophobicContact CG-CG 4.46Å; R78-E82 WeakPolarHBondContact CG-OE1 3.32Å; R78-E82 IonicContact CZ-OE1 3.07Å; R78-E82 VanDerWaalsContact CZ-OE1 3.3Å; R78-E82 IonicContact NE-OE1 2.69Å; R78-E82 PolarHBondContact NE-OE1 3.18Å; R78-E82 IonicContact NE-OE2 3.06Å; R78-E82 IonicContact NH2-OE1 2.99Å; R78-E82 PolarHBondContact NH2-OE1 2.69Å; R78-E82 WeakPolarHBondContact O-CG 3.49Å; R78-E82 PolarHBondContact O-N 3.03Å
79Y83.2Confident78.3Confident76 Ų7677.3 Ų77.330%0.29838%0.377SS..Hα-helixtrans-57.6-43.1179.7-175.5-87.8000112L47 S75 V76 A81 E82 N83L47-Y79 HydrophobicContact CB-CD2 4.4Å; L47-Y79 HydrophobicContact CB-CE2 4.05Å; L47-Y79 HydrophobicContact CD1-CD1 3.36Å; L47-Y79 HydrophobicContact CD1-CD2 4Å; L47-Y79 HydrophobicContact CD1-CE1 3.52Å; L47-Y79 HydrophobicContact CD1-CE2 4.14Å; L47-Y79 HydrophobicContact CD1-CG 3.62Å; L47-Y79 HydrophobicContact CD2-CD1 4.49Å; L47-Y79 HydrophobicContact CD2-CE1 3.77Å; L47-Y79 HydrophobicContact CD2-CE2 4.5Å; L47-Y79 HydrophobicContact CG-CD1 4.44Å; L47-Y79 HydrophobicContact CG-CE1 4.15Å; L47-Y79 HydrophobicContact CG-CE2 4.45Å; S75-Y79 WeakPolarHBondContact O-CB 3.08Å; S75-Y79 PolarHBondContact O-N 3.39Å; V76-Y79 PolarHBondContact O-N 2.87Å; Y79-A81 PolarHBondContact O-N 2.79Å; Y79-E82 PolarHBondContact O-N 3.13Å; Y79-N83 WeakPolarHBondContact CD2-ND2 3.46Å; Y79-N83 HydrophobicContact CE1-CB 4.29Å; Y79-N83 WeakPolarHBondContact CE1-ND2 3.35Å; Y79-N83 VanDerWaalsContact CE2-ND2 3.29Å; Y79-N83 WeakPolarHBondContact CE2-ND2 3.47Å; Y79-N83 VanDerWaalsContact CZ-ND2 3.33Å; Y79-N83 WeakPolarHBondContact O-CB 3.24Å; Y79-N83 PolarHBondContact O-N 3.26Å; Y79-N83 PolarHBondContact O-ND2 2.95Å
80H79.1Confident76.6Confident46 Ų4683.9 Ų83.921%0.21341%0.412CS..Hα-helixtrans-65.4-37.1177-82.3-76.9000113.2V76 K77 R78 R84 N85 Y88V76-H80 PolarHBondContact O-CD2 3.02Å; V76-H80 PolarHBondContact O-N 3.39Å; K77-H80 PolarHBondContact O-N 2.98Å; R78-H80 VanDerWaalsContact C-N 3.3Å; R78-H80 PolarHBondContact O-N 2.63Å; H80-R84 PolarHBondContact O-N 3.07Å; H80-N85 PolarHBondContact ND1-O 3.43Å; H80-Y88 HydrophobicContact CB-CE2 4.17Å
81A82.4Confident75.3Confident72 Ų7283.7 Ų83.760%0.59541%0.413SS*.Hα-helixtrans-66.6-40.8176.900000111.9K77 R78 Y79K77-A81 PolarHBondContact O-N 3.37Å; K77-A81 VanDerWaalsContact O-N 3.07Å; R78-A81 WeakPolarHBondContact O-CB 3.09Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-A81 VanDerWaalsContact O-N 3.09Å; Y79-A81 PolarHBondContact O-N 2.79Å
82E82.7Confident74.8Confident112 Ų11283 Ų8352%0.52341%0.41SS..Hα-helixtrans-71-38.4179.7-69.8171.6170.800112.3R78 Y79R78-E82 HydrophobicContact CG-CG 4.46Å; R78-E82 WeakPolarHBondContact CG-OE1 3.32Å; R78-E82 IonicContact CZ-OE1 3.07Å; R78-E82 VanDerWaalsContact CZ-OE1 3.3Å; R78-E82 IonicContact NE-OE1 2.69Å; R78-E82 PolarHBondContact NE-OE1 3.18Å; R78-E82 IonicContact NE-OE2 3.06Å; R78-E82 IonicContact NH2-OE1 2.99Å; R78-E82 PolarHBondContact NH2-OE1 2.69Å; R78-E82 WeakPolarHBondContact O-CG 3.49Å; R78-E82 PolarHBondContact O-N 3.03Å; Y79-E82 PolarHBondContact O-N 3.13Å
83N73.3Confident74.6Confident70 Ų7084.2 Ų84.237%0.37442%0.416SS..THydrogen-bonded Turntrans-93.85.8-172.8-68.1-77.4000114.8Y79 N85Y79-N83 WeakPolarHBondContact CD2-ND2 3.46Å; Y79-N83 HydrophobicContact CE1-CB 4.29Å; Y79-N83 WeakPolarHBondContact CE1-ND2 3.35Å; Y79-N83 VanDerWaalsContact CE2-ND2 3.29Å; Y79-N83 WeakPolarHBondContact CE2-ND2 3.47Å; Y79-N83 VanDerWaalsContact CZ-ND2 3.33Å; Y79-N83 WeakPolarHBondContact O-CB 3.24Å; Y79-N83 PolarHBondContact O-N 3.26Å; Y79-N83 PolarHBondContact O-ND2 2.95Å; N83-N85 PolarHBondContact O-N 3.04Å
84R63Low74.6Confident227 Ų22784.4 Ų84.486%0.85742%0.417SS*.THydrogen-bonded Turntrans50.916.9-177.6-61.9-176179.9-177.80.5115.2H80 L86H80-R84 PolarHBondContact O-N 3.07Å; R84-L86 PolarHBondContact O-N 3.47Å
85N60.8Low74.7Confident91 Ų9182.4 Ų82.449%0.48741%0.41SS..  trans-81100179-80.5-22.4000109.7H80 N83 L87H80-N85 PolarHBondContact ND1-O 3.43Å; N83-N85 PolarHBondContact O-N 3.04Å; N85-L87 PolarHBondContact O-N 3.33Å
86L52.4Low74.9Confident166 Ų16681.5 Ų81.587%0.86940%0.403SS*.  trans-72.916.7-175.8-111.6133.5000115.3R84 Y88R84-L86 PolarHBondContact O-N 3.47Å; L86-Y88 VanDerWaalsContact C-N 3.33Å; L86-Y88 PolarHBondContact O-N 3.09Å
87L52.3Low75.3Confident137 Ų13781 Ų8172%0.71740%0.4SS*.  trans-89.367.6-175.6-70166.1000111.7N85 G89N85-L87 PolarHBondContact O-N 3.33Å; L87-G89 PolarHBondContact O-N 3.43Å
88Y56.2Low75.7Confident68 Ų6878.9 Ų78.927%0.26739%0.391SS..  trans-7813.6155.8-86.3-90.4000112.1K77 H80 L86 F122K77-Y88 VanDerWaalsContact CD-OH 3.24Å; K77-Y88 WeakPolarHBondContact CD-OH 3.24Å; H80-Y88 HydrophobicContact CB-CE2 4.17Å; L86-Y88 VanDerWaalsContact C-N 3.33Å; L86-Y88 PolarHBondContact O-N 3.09Å; Y88-F122 HydrophobicContact CE1-CB 4.23Å; Y88-F122 AromaticContact CE1-CD2 3.44Å; Y88-F122 HydrophobicContact CE1-CD2 3.44Å; Y88-F122 VanDerWaalsContact CE1-CD2 3.44Å; Y88-F122 AromaticContact CE1-CE2 3.77Å; Y88-F122 HydrophobicContact CE1-CE2 3.77Å; Y88-F122 AromaticContact CE1-CG 3.83Å; Y88-F122 HydrophobicContact CE1-CG 3.83Å; Y88-F122 HydrophobicContact CE1-CZ 4.45Å; Y88-F122 AromaticContact CZ-CD2 3.66Å; Y88-F122 WeakPolarHBondContact OH-CD2 3.46Å
89G50.4Low76.1Confident57 Ų5772.5 Ų72.559%0.58837%0.367SS*.  trans-74.8-38.1-160.900000116.4L87L87-G89 PolarHBondContact O-N 3.43Å
90D57.1Low76.7Confident139 Ų13968.9 Ų68.974%0.74335%0.353SS*.SBendtrans-106.2-24.5-159.8-69.4-8.9000115.1
91F68.3Low77.5Confident60 Ų6066.7 Ų66.726%0.26334%0.342SS..  trans-136.8117.1-173.5-162-96.3000113.9R50 K54 F93 L96R50-F91 HydrophobicContact CG-CB 4.05Å; R50-F91 HydrophobicContact CG-CG 4.35Å; K54-F91 HydrophobicContact CB-CE1 4.36Å; K54-F91 HydrophobicContact CB-CZ 4.42Å; K54-F91 HydrophobicContact CD-CE1 4.35Å; K54-F91 HydrophobicContact CD-CE2 4.07Å; K54-F91 HydrophobicContact CD-CZ 3.64Å; K54-F91 HydrophobicContact CG-CE1 4.25Å; K54-F91 HydrophobicContact CG-CZ 3.88Å; F91-F93 HydrophobicContact CB-CE2 4.45Å; F91-F93 AromaticContact CD1-CD1 3.52Å; F91-F93 HydrophobicContact CD1-CD1 3.52Å; F91-F93 HydrophobicContact CD1-CD2 4.07Å; F91-F93 AromaticContact CD1-CE1 3.35Å; F91-F93 HydrophobicContact CD1-CE1 3.35Å; F91-F93 AromaticContact CD1-CE2 3.93Å; F91-F93 HydrophobicContact CD1-CE2 3.93Å; F91-F93 AromaticContact CD1-CG 3.88Å; F91-F93 HydrophobicContact CD1-CG 3.88Å; F91-F93 AromaticContact CD1-CZ 3.58Å; F91-F93 HydrophobicContact CD1-CZ 3.58Å; F91-F93 AromaticContact CE1-CD1 3.56Å; F91-F93 HydrophobicContact CE1-CD1 3.56Å; F91-F93 AromaticContact CE1-CE1 3.54Å; F91-F93 HydrophobicContact CE1-CE1 3.54Å; F91-F93 HydrophobicContact CE1-CG 4.27Å; F91-F93 HydrophobicContact CE1-CZ 4.23Å; F91-F93 HydrophobicContact CG-CZ 4.43Å; F91-F93 PolarHBondContact O-N 2.87Å; F91-L96 HydrophobicContact CE1-CD1 3.6Å; F91-L96 HydrophobicContact CZ-CD1 3.53Å
92K81.4Confident78.1Confident122 Ų12264.9 Ų64.953%0.5332%0.321SS..  trans-83.892.4179.5-62.8174.4171.7-169.30109.2G94 P95 D125K92-G94 VanDerWaalsContact C-N 3.32Å; K92-P95 HydrophobicContact CB-CG 4.43Å; K92-P95 WeakPolarHBondContact O-CD 3.38Å; K92-D125 HydrophobicContact CD-CB 3.87Å; K92-D125 WeakPolarHBondContact CE-OD1 3.34Å; K92-D125 HydrophobicContact CG-CB 4.33Å; K92-D125 IonicContact NZ-OD1 2.82Å; K92-D125 PolarHBondContact NZ-OD1 2.93Å
93F87.9Confident78.6Confident25 Ų2562.8 Ų62.811%0.1131%0.311CS..Hα-helixtrans-69-30.5175.6-68.1-74.5000113.1R50 L53 K54 L57 F91 L96 F97 F122R50-F93 HydrophobicContact CB-CZ 4.22Å; R50-F93 HydrophobicContact CG-CE1 4.46Å; R50-F93 HydrophobicContact CG-CE2 4.28Å; R50-F93 HydrophobicContact CG-CZ 3.59Å; L53-F93 HydrophobicContact CB-CD1 4.45Å; L53-F93 HydrophobicContact CB-CE1 3.81Å; L53-F93 HydrophobicContact CB-CZ 4.18Å; L53-F93 HydrophobicContact CD2-CD1 3.52Å; L53-F93 HydrophobicContact CD2-CD2 4Å; L53-F93 HydrophobicContact CD2-CE1 3.53Å; L53-F93 HydrophobicContact CD2-CE2 4.01Å; L53-F93 HydrophobicContact CD2-CG 3.75Å; L53-F93 HydrophobicContact CD2-CZ 3.77Å; L53-F93 HydrophobicContact CG-CD1 3.76Å; L53-F93 HydrophobicContact CG-CE1 3.63Å; L53-F93 HydrophobicContact CG-CG 4.47Å; L53-F93 HydrophobicContact CG-CZ 4.23Å; K54-F93 HydrophobicContact CB-CE1 4.46Å; L57-F93 HydrophobicContact CD1-CD1 4.06Å; F91-F93 HydrophobicContact CB-CE2 4.45Å; F91-F93 AromaticContact CD1-CD1 3.52Å; F91-F93 HydrophobicContact CD1-CD1 3.52Å; F91-F93 HydrophobicContact CD1-CD2 4.07Å; F91-F93 AromaticContact CD1-CE1 3.35Å; F91-F93 HydrophobicContact CD1-CE1 3.35Å; F91-F93 AromaticContact CD1-CE2 3.93Å; F91-F93 HydrophobicContact CD1-CE2 3.93Å; F91-F93 AromaticContact CD1-CG 3.88Å; F91-F93 HydrophobicContact CD1-CG 3.88Å; F91-F93 AromaticContact CD1-CZ 3.58Å; F91-F93 HydrophobicContact CD1-CZ 3.58Å; F91-F93 AromaticContact CE1-CD1 3.56Å; F91-F93 HydrophobicContact CE1-CD1 3.56Å; F91-F93 AromaticContact CE1-CE1 3.54Å; F91-F93 HydrophobicContact CE1-CE1 3.54Å; F91-F93 HydrophobicContact CE1-CG 4.27Å; F91-F93 HydrophobicContact CE1-CZ 4.23Å; F91-F93 HydrophobicContact CG-CZ 4.43Å; F91-F93 PolarHBondContact O-N 2.87Å; F93-L96 PolarHBondContact O-N 3.2Å; F93-F97 PolarHBondContact O-N 3.42Å; F93-F122 HydrophobicContact CB-CE1 4.46Å
94G92.4Very high79.7Confident3 Ų361.3 Ų61.33%0.03130%0.303CS..Hα-helixtrans-48.3-55.3-177.200000113.9K92 L96 F97 M98 T128K92-G94 VanDerWaalsContact C-N 3.32Å; G94-L96 VanDerWaalsContact C-N 3.29Å; G94-L96 PolarHBondContact O-N 3.27Å; G94-F97 PolarHBondContact O-N 2.93Å; G94-M98 VanDerWaalsContact O-CG 3.28Å; G94-M98 WeakPolarHBondContact O-CG 3.36Å; G94-M98 PolarHBondContact O-N 3.26Å; G94-T128 WeakPolarHBondContact CA-OG1 3.29Å
95P94.1Very high81.2Confident9 Ų952.1 Ų52.16%0.05828%0.279CS..Hα-helixtrans-62-33.3-179.6-26.537.8000113.8K92 R99 D125 T128 I131K92-P95 HydrophobicContact CB-CG 4.43Å; K92-P95 WeakPolarHBondContact O-CD 3.38Å; P95-R99 WeakPolarHBondContact O-CB 3.29Å; P95-R99 WeakPolarHBondContact O-CG 3.29Å; P95-R99 PolarHBondContact O-N 3.47Å; P95-D125 WeakPolarHBondContact CG-OD2 3.36Å; P95-T128 WeakPolarHBondContact CD-OG1 3.41Å; P95-I131 HydrophobicContact CB-CD1 4.07Å
96L93.5Very high82.9Confident13 Ų1349.2 Ų49.27%0.06826%0.262CS..Hα-helixtrans-69.2-47.2176.1-70.5173.9000111.4F16 L57 F91 F93 G94 M98 R99 L100F16-L96 HydrophobicContact CD2-CD2 3.52Å; F16-L96 HydrophobicContact CE2-CB 4.45Å; F16-L96 HydrophobicContact CE2-CD2 3.66Å; L57-L96 HydrophobicContact CD1-CB 4.07Å; F91-L96 HydrophobicContact CE1-CD1 3.6Å; F91-L96 HydrophobicContact CZ-CD1 3.53Å; F93-L96 PolarHBondContact O-N 3.2Å; G94-L96 VanDerWaalsContact C-N 3.29Å; G94-L96 PolarHBondContact O-N 3.27Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-M98 PolarHBondContact O-N 2.94Å; L96-R99 PolarHBondContact O-N 3.11Å; L96-L100 PolarHBondContact O-N 3.49Å
97F95.8Very high85Confident0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-57.7-44.4176.1-175.5-88.6000111.4L57 M66 R70 I73 F93 G94 R99 L100 C101 M109 T113L57-F97 HydrophobicContact CD2-CB 4.45Å; L57-F97 HydrophobicContact CD2-CD2 4.01Å; M66-F97 HydrophobicContact CE-CD1 3.96Å; M66-F97 HydrophobicContact CE-CD2 3.4Å; M66-F97 HydrophobicContact CE-CE1 3.62Å; M66-F97 HydrophobicContact CE-CE2 3.04Å; M66-F97 HydrophobicContact CE-CG 3.89Å; M66-F97 HydrophobicContact CE-CZ 3.16Å; R70-F97 HydrophobicContact CB-CE2 4.11Å; R70-F97 HydrophobicContact CB-CZ 4.08Å; R70-F97 HydrophobicContact CG-CZ 4.24Å; I73-F97 HydrophobicContact CD1-CB 3.95Å; I73-F97 HydrophobicContact CD1-CD2 3.17Å; I73-F97 HydrophobicContact CD1-CE2 3.7Å; I73-F97 HydrophobicContact CD1-CG 3.72Å; I73-F97 HydrophobicContact CG1-CD2 4.39Å; F93-F97 PolarHBondContact O-N 3.42Å; G94-F97 PolarHBondContact O-N 2.93Å; F97-R99 PolarHBondContact O-N 2.99Å; F97-L100 WeakPolarHBondContact O-CB 3.48Å; F97-L100 PolarHBondContact O-N 2.83Å; F97-C101 PolarHBondContact O-N 3.45Å; F97-C101 PolarHBondContact O-SG 3.21Å; F97-M109 HydrophobicContact CZ-SD 4.42Å; F97-T113 HydrophobicContact CE1-CG2 3.92Å; F97-T113 HydrophobicContact CZ-CG2 4.05Å
98M96.8Very high87.1Confident0 Ų038.7 Ų38.70%022%0.218CC..Hα-helixtrans-69.6-33.5-179.8-63.4-57.7158.500113.1G94 L96 C101 Y102 A110 L114 F123 T128 I131 A132G94-M98 VanDerWaalsContact O-CG 3.28Å; G94-M98 WeakPolarHBondContact O-CG 3.36Å; G94-M98 PolarHBondContact O-N 3.26Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-M98 PolarHBondContact O-N 2.94Å; M98-C101 PolarHBondContact O-N 2.92Å; M98-Y102 WeakPolarHBondContact O-CB 3.44Å; M98-Y102 PolarHBondContact O-N 3.47Å; M98-A110 HydrophobicContact SD-CB 3.68Å; M98-L114 HydrophobicContact CE-CD1 3.8Å; M98-L114 HydrophobicContact CE-CD2 3.68Å; M98-L114 HydrophobicContact CE-CG 3.47Å; M98-L114 VanDerWaalsContact CE-CG 3.47Å; M98-L114 HydrophobicContact SD-CD1 4.22Å; M98-L114 HydrophobicContact SD-CG 4.48Å; M98-F123 HydrophobicContact CE-CE1 4.46Å; M98-F123 HydrophobicContact CE-CZ 4.47Å; M98-T128 HydrophobicContact CE-CG2 3.92Å; M98-T128 HydrophobicContact CG-CG2 3.56Å; M98-T128 WeakPolarHBondContact CG-O 3.35Å; M98-I131 HydrophobicContact CB-CB 3.98Å; M98-I131 HydrophobicContact CB-CG2 3.7Å; M98-A132 HydrophobicContact SD-CB 3.95Å
99R95.5Very high89.1Confident29 Ų2936.4 Ų36.411%0.10921%0.21CC..Hα-helixtrans-66.6-38.1171.6-72.9171.8-166.8118.84.7112I11 K12 L13 F16 P95 L96 F97 Y102 E103 I131I11-R99 PolarHBondContact O-NE 2.84Å; I11-R99 PolarHBondContact O-NH2 3.33Å; K12-R99 PolarHBondContact O-NE 3.39Å; L13-R99 HydrophobicContact CD1-CB 4.22Å; F16-R99 HydrophobicContact CB-CB 4.42Å; F16-R99 HydrophobicContact CD1-CB 3.59Å; F16-R99 HydrophobicContact CD2-CB 4.42Å; F16-R99 HydrophobicContact CE1-CB 3.85Å; F16-R99 HydrophobicContact CG-CB 3.89Å; F16-R99 HydrophobicContact CG-CG 4.48Å; F16-R99 HydrophobicContact CZ-CB 4.38Å; P95-R99 WeakPolarHBondContact O-CB 3.29Å; P95-R99 WeakPolarHBondContact O-CG 3.29Å; P95-R99 PolarHBondContact O-N 3.47Å; L96-R99 PolarHBondContact O-N 3.11Å; F97-R99 PolarHBondContact O-N 2.99Å; R99-Y102 VanDerWaalsContact O-CB 3.27Å; R99-Y102 WeakPolarHBondContact O-CB 3.41Å; R99-Y102 PolarHBondContact O-N 3.23Å; R99-E103 PolarHBondContact O-N 2.84Å; R99-I131 HydrophobicContact CG-CD1 4.14Å
100L95.6Very high91.3Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-64.7-45.3175-173.561.9000111F16 L57 C60 M66 L96 F97 Y102 E103 L104F16-L100 HydrophobicContact CE1-CB 4.22Å; F16-L100 HydrophobicContact CE1-CD1 4.41Å; F16-L100 HydrophobicContact CZ-CB 3.97Å; F16-L100 HydrophobicContact CZ-CD1 4.31Å; L57-L100 HydrophobicContact CD2-CD2 4.1Å; C60-L100 HydrophobicContact CB-CD1 4.04Å; C60-L100 HydrophobicContact CB-CD2 3.48Å; C60-L100 VanDerWaalsContact CB-CD2 3.48Å; C60-L100 HydrophobicContact CB-CG 4.32Å; M66-L100 HydrophobicContact CE-CD2 4.41Å; M66-L100 HydrophobicContact SD-CB 4.14Å; M66-L100 HydrophobicContact SD-CD2 3.3Å; M66-L100 WeakPolarHBondContact SD-CD2 3.5Å; M66-L100 HydrophobicContact SD-CG 3.52Å; M66-L100 VanDerWaalsContact SD-CG 3.52Å; L96-L100 PolarHBondContact O-N 3.49Å; F97-L100 WeakPolarHBondContact O-CB 3.48Å; F97-L100 PolarHBondContact O-N 2.83Å; L100-Y102 PolarHBondContact O-N 3.25Å; L100-E103 PolarHBondContact O-N 3.14Å; L100-L104 HydrophobicContact CD1-CD1 3.92Å; L100-L104 HydrophobicContact CD1-CG 4.24Å; L100-L104 HydrophobicContact CG-CD1 4.02Å; L100-L104 WeakPolarHBondContact O-CB 3.36Å; L100-L104 WeakPolarHBondContact O-CG 3.16Å; L100-L104 PolarHBondContact O-N 3.15Å
101C96.8Very high93.3Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-55.9-41.4170-68.30000111.8M66 F97 M98 L104 G105 M106 A110 M135M66-C101 WeakPolarHBondContact CE-SG 3.36Å; F97-C101 PolarHBondContact O-N 3.45Å; F97-C101 PolarHBondContact O-SG 3.21Å; M98-C101 PolarHBondContact O-N 2.92Å; C101-L104 PolarHBondContact O-N 2.75Å; C101-G105 PolarHBondContact O-N 3.19Å; C101-M106 HydrophobicContact CB-CB 4.31Å; C101-M106 PolarHBondContact O-N 2.74Å; C101-A110 HydrophobicContact CB-CB 3.89Å; C101-M135 HydrophobicContact CB-CE 4.03Å; C101-M135 HydrophobicContact CB-SD 4.4Å
102Y94.5Very high94.7Very high35 Ų3526.6 Ų26.614%0.13715%0.153CC..Hα-helixtrans-61.5-49.4178.8-156.2-64.3000112.1H4 L13 M98 R99 L100 L104 G105 I131 M135H4-Y102 PolarHBondContact CE1-OH 3.01Å; H4-Y102 PolarHBondContact ND1-OH 3.38Å; L13-Y102 HydrophobicContact CD2-CD1 3.79Å; L13-Y102 HydrophobicContact CD2-CE1 4.17Å; M98-Y102 WeakPolarHBondContact O-CB 3.44Å; M98-Y102 PolarHBondContact O-N 3.47Å; R99-Y102 VanDerWaalsContact O-CB 3.27Å; R99-Y102 WeakPolarHBondContact O-CB 3.41Å; R99-Y102 PolarHBondContact O-N 3.23Å; L100-Y102 PolarHBondContact O-N 3.25Å; Y102-L104 VanDerWaalsContact C-N 3.34Å; Y102-L104 PolarHBondContact O-N 2.72Å; Y102-G105 PolarHBondContact O-N 3.23Å; Y102-I131 HydrophobicContact CD2-CG2 4.07Å; Y102-M135 VanDerWaalsContact CA-SD 3.53Å; Y102-M135 HydrophobicContact CD2-CB 3.63Å; Y102-M135 HydrophobicContact CD2-CG 3.98Å; Y102-M135 HydrophobicContact CD2-SD 4.25Å; Y102-M135 HydrophobicContact CE2-CB 3.6Å; Y102-M135 HydrophobicContact CE2-CG 4.12Å; Y102-M135 HydrophobicContact CG-CG 4.43Å; Y102-M135 HydrophobicContact CG-SD 4.33Å
103E93.6Very high95.4Very high68 Ų6820.8 Ų20.832%0.31813%0.128SC..Hα-helixtrans-61.7-42.1179.7-175.3-177.6129.600111.8Q17 K20 R99 L100 G105Q17-E103 WeakPolarHBondContact CG-OE2 3.49Å; K20-E103 IonicContact NZ-OE1 2.99Å; K20-E103 PolarHBondContact NZ-OE1 3.1Å; K20-E103 IonicContact NZ-OE2 2.9Å; R99-E103 PolarHBondContact O-N 2.84Å; L100-E103 PolarHBondContact O-N 3.14Å; E103-G105 VanDerWaalsContact C-N 3.34Å
104L94.6Very high95.8Very high39 Ų3919.6 Ų19.620%0.20412%0.123CC..Hα-helixtrans-86.4-0.9-177.2-60.4179000113.9Q61 M66 L100 C101 Y102 M106Q61-L104 VanDerWaalsContact O-CD2 3.25Å; Q61-L104 WeakPolarHBondContact O-CD2 3.47Å; M66-L104 HydrophobicContact CB-CD1 4.06Å; M66-L104 HydrophobicContact CG-CD1 4.47Å; M66-L104 HydrophobicContact SD-CD1 4.41Å; L100-L104 HydrophobicContact CD1-CD1 3.92Å; L100-L104 HydrophobicContact CD1-CG 4.24Å; L100-L104 HydrophobicContact CG-CD1 4.02Å; L100-L104 WeakPolarHBondContact O-CB 3.36Å; L100-L104 WeakPolarHBondContact O-CG 3.16Å; L100-L104 PolarHBondContact O-N 3.15Å; C101-L104 PolarHBondContact O-N 2.75Å; Y102-L104 VanDerWaalsContact C-N 3.34Å; Y102-L104 PolarHBondContact O-N 2.72Å; L104-M106 HydrophobicContact CB-CG 3.82Å; L104-M106 HydrophobicContact CB-SD 4.01Å; L104-M106 HydrophobicContact CD1-SD 4.2Å; L104-M106 PolarHBondContact O-N 3.5Å
105G94.8Very high96.1Very high34 Ų3422.1 Ų22.135%0.35114%0.138SC..THydrogen-bonded Turntrans63.838.4-177.900000113.4C101 Y102 E103C101-G105 PolarHBondContact O-N 3.19Å; Y102-G105 PolarHBondContact O-N 3.23Å; E103-G105 VanDerWaalsContact C-N 3.34Å
106M96.6Very high96.1Very high30 Ų3023.7 Ų23.715%0.14815%0.146CC..  trans-103.747.1-177.1-58.3-171.474.200111.7P63 M66 C101 L104 G108 M109 A110P63-M106 HydrophobicContact CB-CE 4.13Å; P63-M106 HydrophobicContact CB-SD 4.08Å; M66-M106 HydrophobicContact CB-CE 4.03Å; M66-M106 HydrophobicContact CB-SD 3.47Å; M66-M106 WeakPolarHBondContact CB-SD 3.14Å; M66-M106 HydrophobicContact CG-CE 4.01Å; M66-M106 HydrophobicContact CG-SD 3.45Å; M66-M106 WeakPolarHBondContact CG-SD 3.49Å; C101-M106 HydrophobicContact CB-CB 4.31Å; C101-M106 PolarHBondContact O-N 2.74Å; L104-M106 HydrophobicContact CB-CG 3.82Å; L104-M106 HydrophobicContact CB-SD 4.01Å; L104-M106 HydrophobicContact CD1-SD 4.2Å; L104-M106 PolarHBondContact O-N 3.5Å; M106-G108 VanDerWaalsContact C-N 3.26Å; M106-G108 PolarHBondContact O-N 2.79Å; M106-M109 HydrophobicContact CB-CB 4.12Å; M106-M109 HydrophobicContact CE-CB 4.33Å; M106-M109 HydrophobicContact CE-CE 3.32Å; M106-M109 HydrophobicContact CE-SD 3.83Å; M106-M109 PolarHBondContact O-N 3.19Å; M106-M109 VanDerWaalsContact O-N 3.1Å; M106-A110 PolarHBondContact O-N 3.33Å
107E96.4Very high96.1Very high34 Ų3431.9 Ų31.916%0.15918%0.181CC..Hα-helixtrans-54.5-38.517951.7-92.6-154.900113.7A110 A111 M135 L136 K139 L141E107-A110 PolarHBondContact O-N 3.1Å; E107-A111 PolarHBondContact O-N 3.06Å; E107-M135 HydrophobicContact CB-CE 4.44Å; E107-M135 HydrophobicContact CB-CG 3.97Å; E107-M135 HydrophobicContact CB-SD 3.94Å; E107-L136 HydrophobicContact CB-CD2 3.95Å; E107-K139 HydrophobicContact CB-CG 4.48Å; E107-K139 VanDerWaalsContact CD-NZ 3.31Å; E107-K139 HydrophobicContact CG-CG 4.13Å; E107-K139 WeakPolarHBondContact OE1-CD 3.41Å; E107-K139 WeakPolarHBondContact OE1-CE 3.37Å; E107-K139 IonicContact OE1-NZ 3.2Å; E107-K139 PolarHBondContact OE1-NZ 3.29Å; E107-K139 WeakPolarHBondContact OE2-CE 3.26Å; E107-K139 IonicContact OE2-NZ 3.39Å; E107-K139 PolarHBondContact OE2-NZ 2.81Å; E107-L141 HydrophobicContact CB-CD1 4.36Å; E107-L141 HydrophobicContact CG-CD1 3.65Å
108G97.1Very high95.8Very high48 Ų4837.4 Ų37.450%0.49521%0.211SC..Hα-helixtrans-65.5-40177.100000112.7M106 A112M106-G108 VanDerWaalsContact C-N 3.26Å; M106-G108 PolarHBondContact O-N 2.79Å; G108-A112 VanDerWaalsContact O-CB 3.27Å; G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 3.04Å
109M97.5Very high95.5Very high20 Ų2037.5 Ų37.510%0.09921%0.211CC..Hα-helixtrans-67.4-41.1175.1-178.1178.9-74.100111.5M66 L67 R70 F97 M106 A112 T113M66-M109 HydrophobicContact CB-SD 4.38Å; M66-M109 HydrophobicContact CE-SD 3.95Å; M66-M109 HydrophobicContact CG-CE 4.28Å; M66-M109 HydrophobicContact CG-SD 3.42Å; M66-M109 WeakPolarHBondContact CG-SD 3.35Å; L67-M109 HydrophobicContact CD2-CE 3.42Å; L67-M109 VanDerWaalsContact CD2-CE 3.42Å; L67-M109 HydrophobicContact CG-CE 4.14Å; R70-M109 HydrophobicContact CB-SD 4.24Å; F97-M109 HydrophobicContact CZ-SD 4.42Å; M106-M109 HydrophobicContact CB-CB 4.12Å; M106-M109 HydrophobicContact CE-CB 4.33Å; M106-M109 HydrophobicContact CE-CE 3.32Å; M106-M109 HydrophobicContact CE-SD 3.83Å; M106-M109 PolarHBondContact O-N 3.19Å; M106-M109 VanDerWaalsContact O-N 3.1Å; M109-A112 PolarHBondContact O-N 2.95Å; M109-T113 VanDerWaalsContact O-CB 3.31Å; M109-T113 WeakPolarHBondContact O-CB 3.26Å; M109-T113 PolarHBondContact O-N 3.15Å; M109-T113 PolarHBondContact O-OG1 3.09Å
110A97.4Very high95.2Very high0 Ų042.2 Ų42.20%023%0.232CC..Hα-helixtrans-59.1-48.5176.500000111.7M98 C101 M106 E107 T113 L114 A132 M135M98-A110 HydrophobicContact SD-CB 3.68Å; C101-A110 HydrophobicContact CB-CB 3.89Å; M106-A110 PolarHBondContact O-N 3.33Å; E107-A110 PolarHBondContact O-N 3.1Å; A110-T113 PolarHBondContact O-N 3.47Å; A110-L114 PolarHBondContact O-N 3.03Å; A110-L114 VanDerWaalsContact O-N 3.17Å; A110-A132 HydrophobicContact CB-CB 4.43Å; A110-M135 HydrophobicContact CB-CE 3.34Å
111A98.1Very high94.7Very high10 Ų1043.9 Ų43.98%0.08325%0.249CC..Hα-helixtrans-60.2-53.9176.500000111.1E107 T113 L114 T115 L136 V148E107-A111 PolarHBondContact O-N 3.06Å; A111-T113 VanDerWaalsContact C-N 3.25Å; A111-T113 PolarHBondContact O-N 3.21Å; A111-L114 PolarHBondContact O-N 3.07Å; A111-L114 VanDerWaalsContact O-N 3.09Å; A111-T115 WeakPolarHBondContact O-CG2 3.32Å; A111-T115 PolarHBondContact O-N 3.4Å; A111-T115 PolarHBondContact O-OG1 2.85Å; A111-L136 HydrophobicContact CB-CD1 4.1Å; A111-L136 HydrophobicContact CB-CD2 4.22Å; A111-V148 HydrophobicContact CB-CG2 4.17Å
112A97.8Very high94.3Very high39 Ų3944.3 Ų44.332%0.32225%0.251SS..Hα-helixtrans-58.2-36.3-178.900000112.9G108 M109 D116G108-A112 VanDerWaalsContact O-CB 3.27Å; G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 3.04Å; M109-A112 PolarHBondContact O-N 2.95Å; A112-D116 WeakPolarHBondContact O-CB 3.44Å; A112-D116 PolarHBondContact O-N 3.5Å; A112-D116 VanDerWaalsContact O-N 3.15Å
113T97.3Very high94.1Very high0 Ų042.8 Ų42.80%025%0.245CC..Hα-helixtrans-71.8-34.9179-53.60000112.1R70 Y74 F97 M109 A110 A111 M119 F123R70-T113 PolarHBondContact NE-OG1 3.43Å; Y74-T113 HydrophobicContact CE2-CG2 4.21Å; F97-T113 HydrophobicContact CE1-CG2 3.92Å; F97-T113 HydrophobicContact CZ-CG2 4.05Å; M109-T113 VanDerWaalsContact O-CB 3.31Å; M109-T113 WeakPolarHBondContact O-CB 3.26Å; M109-T113 PolarHBondContact O-N 3.15Å; M109-T113 PolarHBondContact O-OG1 3.09Å; A110-T113 PolarHBondContact O-N 3.47Å; A111-T113 VanDerWaalsContact C-N 3.25Å; A111-T113 PolarHBondContact O-N 3.21Å; T113-M119 WeakPolarHBondContact O-CB 3.24Å; T113-F123 HydrophobicContact CG2-CE2 3.86Å; T113-F123 HydrophobicContact CG2-CZ 3.8Å
114L96.8Very high93.9Very high0 Ų044.2 Ų44.20%025%0.254CS..Hα-helixtrans-77.6-34178.3-74.8175.9000113.1M98 A110 A111 D116 F123 T128 F129 A132 V148 T151M98-L114 HydrophobicContact CE-CD1 3.8Å; M98-L114 HydrophobicContact CE-CD2 3.68Å; M98-L114 HydrophobicContact CE-CG 3.47Å; M98-L114 VanDerWaalsContact CE-CG 3.47Å; M98-L114 HydrophobicContact SD-CD1 4.22Å; M98-L114 HydrophobicContact SD-CG 4.48Å; A110-L114 PolarHBondContact O-N 3.03Å; A110-L114 VanDerWaalsContact O-N 3.17Å; A111-L114 PolarHBondContact O-N 3.07Å; A111-L114 VanDerWaalsContact O-N 3.09Å; L114-D116 VanDerWaalsContact C-N 3.35Å; L114-F123 HydrophobicContact CD2-CB 4.02Å; L114-F123 HydrophobicContact CD2-CD1 4.39Å; L114-F123 HydrophobicContact CD2-CD2 3.61Å; L114-F123 HydrophobicContact CD2-CE2 4.13Å; L114-F123 HydrophobicContact CD2-CG 3.75Å; L114-T128 HydrophobicContact CD2-CG2 3.98Å; L114-F129 HydrophobicContact CB-CE1 4.29Å; L114-F129 HydrophobicContact CD1-CD1 4.01Å; L114-F129 HydrophobicContact CD1-CE1 4.38Å; L114-F129 HydrophobicContact CD1-CG 4.47Å; L114-F129 HydrophobicContact CD2-CD1 4.17Å; L114-F129 HydrophobicContact CD2-CE1 3.84Å; L114-F129 HydrophobicContact CD2-CE2 4.32Å; L114-F129 HydrophobicContact CD2-CZ 3.93Å; L114-F129 HydrophobicContact CG-CE1 4.4Å; L114-A132 HydrophobicContact CD1-CB 3.44Å; L114-A132 VanDerWaalsContact CD1-CB 3.44Å; L114-V148 HydrophobicContact CB-CG1 4.45Å; L114-V148 HydrophobicContact CD1-CG1 3.72Å; L114-T151 VanDerWaalsContact O-CG2 3.27Å; L114-T151 WeakPolarHBondContact O-CG2 3.5Å
115T96.9Very high93.6Very high56 Ų5643.4 Ų43.434%0.34425%0.25SS..Hα-helixtrans-86.6-6.7-179.860.80000113.4A111 K117 D147 V148A111-T115 WeakPolarHBondContact O-CG2 3.32Å; A111-T115 PolarHBondContact O-N 3.4Å; A111-T115 PolarHBondContact O-OG1 2.85Å; T115-K117 PolarHBondContact O-N 3.23Å; T115-D147 HydrophobicContact CG2-CB 4.41Å; T115-V148 HydrophobicContact CG2-CG2 4.1Å
116D96Very high93.6Very high42 Ų4242.4 Ų42.423%0.22524%0.238CC..  trans-65.4128.4174.6-160.9-35000111.4Y74 A112 L114 D118 M119Y74-D116 VanDerWaalsContact CE1-OD2 3.32Å; Y74-D116 WeakPolarHBondContact CE1-OD2 3.36Å; Y74-D116 VanDerWaalsContact CZ-OD2 3.32Å; Y74-D116 WeakPolarHBondContact OH-CB 3.49Å; Y74-D116 VanDerWaalsContact OH-CG 3.29Å; Y74-D116 PolarHBondContact OH-OD2 3.39Å; A112-D116 WeakPolarHBondContact O-CB 3.44Å; A112-D116 PolarHBondContact O-N 3.5Å; A112-D116 VanDerWaalsContact O-N 3.15Å; L114-D116 VanDerWaalsContact C-N 3.35Å; D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 2.98Å; D116-D118 WeakPolarHBondContact OD1-CB 3.31Å; D116-D118 PolarHBondContact OD1-N 2.87Å; D116-M119 HydrophobicContact CB-CB 4.2Å; D116-M119 HydrophobicContact CB-CG 4Å; D116-M119 PolarHBondContact O-N 3.25Å
117K91.9Very high93.5Very high186 Ų18642.8 Ų42.881%0.80924%0.242SC*.G310 helixtrans-66.3-31.9179.2-66-179.5-179175.90111.8T115 M119 K120T115-K117 PolarHBondContact O-N 3.23Å; K117-M119 PolarHBondContact O-N 2.99Å; K117-K120 WeakPolarHBondContact O-CB 3.42Å; K117-K120 PolarHBondContact O-N 2.91Å; K117-K120 VanDerWaalsContact O-N 3.15Å
118D90.3Very high93.4Very high116 Ų11641.3 Ų41.362%0.6224%0.235SC*.G310 helixtrans-68.5-24.1179-66.7-18.8000111.6Y74 K77 D116 K120Y74-D118 HydrophobicContact CE1-CB 4.39Å; K77-D118 VanDerWaalsContact CE-O 3.31Å; K77-D118 WeakPolarHBondContact CE-O 3.32Å; D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 2.98Å; D116-D118 WeakPolarHBondContact OD1-CB 3.31Å; D116-D118 PolarHBondContact OD1-N 2.87Å; D118-K120 VanDerWaalsContact C-N 3.31Å
119M90.8Very high93.4Very high1 Ų139 Ų391%0.00521%0.211CC..G310 helixtrans-87.63.1177.8-64.5-54-60.600113.4I73 Y74 K77 T113 D116 K117 G121 F122 F123I73-M119 HydrophobicContact CG2-CE 3.29Å; I73-M119 HydrophobicContact CG2-SD 4.38Å; Y74-M119 HydrophobicContact CD1-CG 4.44Å; Y74-M119 HydrophobicContact CD1-SD 3.84Å; Y74-M119 HydrophobicContact CD2-CG 4.39Å; Y74-M119 HydrophobicContact CD2-SD 3.64Å; Y74-M119 HydrophobicContact CE1-CG 3.83Å; Y74-M119 HydrophobicContact CE1-SD 3.85Å; Y74-M119 HydrophobicContact CE2-CG 3.79Å; Y74-M119 HydrophobicContact CE2-SD 3.67Å; Y74-M119 HydrophobicContact CG-SD 3.77Å; Y74-M119 VanDerWaalsContact CZ-CG 3.49Å; K77-M119 HydrophobicContact CB-CE 4.48Å; K77-M119 HydrophobicContact CB-SD 4.28Å; K77-M119 HydrophobicContact CG-SD 4.31Å; T113-M119 WeakPolarHBondContact O-CB 3.24Å; D116-M119 HydrophobicContact CB-CB 4.2Å; D116-M119 HydrophobicContact CB-CG 4Å; D116-M119 PolarHBondContact O-N 3.25Å; K117-M119 PolarHBondContact O-N 2.99Å; M119-G121 PolarHBondContact O-N 3.33Å; M119-F122 HydrophobicContact CE-CB 3.59Å; M119-F122 HydrophobicContact CE-CD1 3.57Å; M119-F122 HydrophobicContact CE-CD2 3.75Å; M119-F122 HydrophobicContact CE-CE1 4.22Å; M119-F122 HydrophobicContact CE-CE2 4.4Å; M119-F122 HydrophobicContact CE-CG 3.34Å; M119-F122 VanDerWaalsContact O-CB 3.25Å; M119-F122 WeakPolarHBondContact O-CB 3.31Å; M119-F122 PolarHBondContact O-N 3.33Å; M119-F123 HydrophobicContact CB-CD2 4.43Å; M119-F123 HydrophobicContact CB-CE2 4.09Å; M119-F123 HydrophobicContact CE-CD2 4.44Å; M119-F123 HydrophobicContact CE-CE2 3.59Å; M119-F123 HydrophobicContact CE-CZ 3.87Å; M119-F123 HydrophobicContact CG-CE2 4.44Å
120K88.9Confident93.4Very high128 Ų12838.1 Ų38.156%0.55721%0.207SC*.THydrogen-bonded Turntrans-56.1127.3178.6-175.4173.9-177.2-178.70111.3K77 K117 D118 F122 Q155K77-K120 WeakPolarHBondContact CE-O 3.41Å; K77-K120 PolarHBondContact NZ-O 3.37Å; K117-K120 WeakPolarHBondContact O-CB 3.42Å; K117-K120 PolarHBondContact O-N 2.91Å; K117-K120 VanDerWaalsContact O-N 3.15Å; D118-K120 VanDerWaalsContact C-N 3.31Å; K120-F122 PolarHBondContact O-N 3.02Å; K120-Q155 HydrophobicContact CG-CG 4.18Å
121G85.8Confident93.3Very high35 Ų3538.1 Ų38.136%0.36121%0.207SC..THydrogen-bonded Turntrans74.73.1-179.600000114.9M119M119-G121 PolarHBondContact O-N 3.33Å
122F88Confident93.3Very high10 Ų1037.6 Ų37.64%0.04420%0.203CC..THydrogen-bonded Turntrans-75.8-45.4168.4-174.8-83.8000110.9I73 V76 K77 Y88 F93 M119 K120I73-F122 HydrophobicContact CB-CZ 4.38Å; I73-F122 HydrophobicContact CG1-CZ 4.36Å; I73-F122 HydrophobicContact CG2-CD1 4.16Å; I73-F122 HydrophobicContact CG2-CD2 4.46Å; I73-F122 HydrophobicContact CG2-CE1 3.62Å; I73-F122 HydrophobicContact CG2-CE2 4Å; I73-F122 HydrophobicContact CG2-CZ 3.57Å; V76-F122 HydrophobicContact CG1-CE2 4.23Å; K77-F122 HydrophobicContact CB-CD2 3.73Å; K77-F122 HydrophobicContact CB-CE2 4.27Å; K77-F122 HydrophobicContact CD-CB 4.19Å; K77-F122 HydrophobicContact CD-CD2 4.08Å; K77-F122 HydrophobicContact CG-CD2 4.29Å; Y88-F122 HydrophobicContact CE1-CB 4.23Å; Y88-F122 AromaticContact CE1-CD2 3.44Å; Y88-F122 HydrophobicContact CE1-CD2 3.44Å; Y88-F122 VanDerWaalsContact CE1-CD2 3.44Å; Y88-F122 AromaticContact CE1-CE2 3.77Å; Y88-F122 HydrophobicContact CE1-CE2 3.77Å; Y88-F122 AromaticContact CE1-CG 3.83Å; Y88-F122 HydrophobicContact CE1-CG 3.83Å; Y88-F122 HydrophobicContact CE1-CZ 4.45Å; Y88-F122 AromaticContact CZ-CD2 3.66Å; Y88-F122 WeakPolarHBondContact OH-CD2 3.46Å; F93-F122 HydrophobicContact CB-CE1 4.46Å; M119-F122 HydrophobicContact CE-CB 3.59Å; M119-F122 HydrophobicContact CE-CD1 3.57Å; M119-F122 HydrophobicContact CE-CD2 3.75Å; M119-F122 HydrophobicContact CE-CE1 4.22Å; M119-F122 HydrophobicContact CE-CE2 4.4Å; M119-F122 HydrophobicContact CE-CG 3.34Å; M119-F122 VanDerWaalsContact O-CB 3.25Å; M119-F122 WeakPolarHBondContact O-CB 3.31Å; M119-F122 PolarHBondContact O-N 3.33Å; K120-F122 PolarHBondContact O-N 3.02Å
123F90.5Very high93.3Very high3 Ų335.8 Ų35.81%0.01319%0.188CC..  trans-96.6103.2-180-56-73000110I73 M98 T113 L114 M119 T128 F129I73-F123 HydrophobicContact CG2-CZ 4.33Å; M98-F123 HydrophobicContact CE-CE1 4.46Å; M98-F123 HydrophobicContact CE-CZ 4.47Å; T113-F123 HydrophobicContact CG2-CE2 3.86Å; T113-F123 HydrophobicContact CG2-CZ 3.8Å; L114-F123 HydrophobicContact CD2-CB 4.02Å; L114-F123 HydrophobicContact CD2-CD1 4.39Å; L114-F123 HydrophobicContact CD2-CD2 3.61Å; L114-F123 HydrophobicContact CD2-CE2 4.13Å; L114-F123 HydrophobicContact CD2-CG 3.75Å; M119-F123 HydrophobicContact CB-CD2 4.43Å; M119-F123 HydrophobicContact CB-CE2 4.09Å; M119-F123 HydrophobicContact CE-CD2 4.44Å; M119-F123 HydrophobicContact CE-CE2 3.59Å; M119-F123 HydrophobicContact CE-CZ 3.87Å; M119-F123 HydrophobicContact CG-CE2 4.44Å; F123-T128 HydrophobicContact CB-CG2 4.31Å; F123-T128 HydrophobicContact CD1-CG2 3.72Å; F123-T128 HydrophobicContact CE1-CG2 4.37Å; F123-T128 HydrophobicContact CG-CG2 4.2Å; F123-F129 HydrophobicContact CB-CE2 3.89Å; F123-F129 HydrophobicContact CB-CZ 4.17Å; F123-F129 WeakPolarHBondContact O-CE2 3.47Å
124I88Confident93.2Very high98 Ų9835.8 Ų35.850%0.50319%0.188SC..  trans-107.1-6.9-178.659164.6000113.6
125D89.6Confident93.1Very high22 Ų2235.9 Ų35.912%0.11819%0.188CC..  trans-99.1123.2-173.5-174.162.1000111.7K92 P95 T127 T128K92-D125 HydrophobicContact CD-CB 3.87Å; K92-D125 WeakPolarHBondContact CE-OD1 3.34Å; K92-D125 HydrophobicContact CG-CB 4.33Å; K92-D125 IonicContact NZ-OD1 2.82Å; K92-D125 PolarHBondContact NZ-OD1 2.93Å; P95-D125 WeakPolarHBondContact CG-OD2 3.36Å; D125-T127 PolarHBondContact O-N 3.23Å; D125-T127 VanDerWaalsContact O-N 3.13Å; D125-T127 WeakPolarHBondContact OD2-CB 3.33Å; D125-T127 PolarHBondContact OD2-N 2.9Å; D125-T127 PolarHBondContact OD2-OG1 3.4Å; D125-T128 WeakPolarHBondContact O-CB 3.23Å; D125-T128 PolarHBondContact O-N 2.71Å; D125-T128 PolarHBondContact O-OG1 2.93Å
126S94.2Very high93.1Very high13 Ų1333.3 Ų33.39%0.09117%0.172CC..Hα-helixtrans-56.7-31.4-179.8-44.90000112.7T128 F129 N130 P158S126-T128 PolarHBondContact O-N 3.3Å; S126-F129 PolarHBondContact O-N 3.01Å; S126-N130 WeakPolarHBondContact O-CB 3.41Å; S126-N130 PolarHBondContact O-N 3.27Å; S126-N130 PolarHBondContact O-OD1 3.28Å; S126-P158 PolarHBondContact OG-O 3.06Å
127T94Very high93.1Very high38 Ų3831.3 Ų31.323%0.23316%0.161CC..Hα-helixtrans-59.2-35.8176.3-35.70000112D125 N130 I131D125-T127 PolarHBondContact O-N 3.23Å; D125-T127 VanDerWaalsContact O-N 3.13Å; D125-T127 WeakPolarHBondContact OD2-CB 3.33Å; D125-T127 PolarHBondContact OD2-N 2.9Å; D125-T127 PolarHBondContact OD2-OG1 3.4Å; T127-N130 PolarHBondContact O-N 3.39Å; T127-I131 HydrophobicContact CG2-CD1 3.95Å; T127-I131 HydrophobicContact CG2-CG1 4.35Å; T127-I131 WeakPolarHBondContact O-CD1 3.46Å; T127-I131 VanDerWaalsContact O-CG1 3.26Å; T127-I131 WeakPolarHBondContact O-CG1 3.29Å; T127-I131 PolarHBondContact O-N 2.88Å
128T95.3Very high93.1Very high2 Ų224.5 Ų24.51%0.01214%0.135CC..Hα-helixtrans-57.8-54.1177.2-51.60000110.4G94 P95 M98 L114 F123 D125 S126 I131 A132G94-T128 WeakPolarHBondContact CA-OG1 3.29Å; P95-T128 WeakPolarHBondContact CD-OG1 3.41Å; M98-T128 HydrophobicContact CE-CG2 3.92Å; M98-T128 HydrophobicContact CG-CG2 3.56Å; M98-T128 WeakPolarHBondContact CG-O 3.35Å; L114-T128 HydrophobicContact CD2-CG2 3.98Å; F123-T128 HydrophobicContact CB-CG2 4.31Å; F123-T128 HydrophobicContact CD1-CG2 3.72Å; F123-T128 HydrophobicContact CE1-CG2 4.37Å; F123-T128 HydrophobicContact CG-CG2 4.2Å; D125-T128 WeakPolarHBondContact O-CB 3.23Å; D125-T128 PolarHBondContact O-N 2.71Å; D125-T128 PolarHBondContact O-OG1 2.93Å; S126-T128 PolarHBondContact O-N 3.3Å; T128-I131 PolarHBondContact O-N 2.85Å; T128-A132 PolarHBondContact O-N 2.95Å
129F97.3Very high93.2Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-64.9-43.5179.6-69.2-93.8000110.8L114 F123 S126 I131 A132 I133 V148 M152 V157L114-F129 HydrophobicContact CB-CE1 4.29Å; L114-F129 HydrophobicContact CD1-CD1 4.01Å; L114-F129 HydrophobicContact CD1-CE1 4.38Å; L114-F129 HydrophobicContact CD1-CG 4.47Å; L114-F129 HydrophobicContact CD2-CD1 4.17Å; L114-F129 HydrophobicContact CD2-CE1 3.84Å; L114-F129 HydrophobicContact CD2-CE2 4.32Å; L114-F129 HydrophobicContact CD2-CZ 3.93Å; L114-F129 HydrophobicContact CG-CE1 4.4Å; F123-F129 HydrophobicContact CB-CE2 3.89Å; F123-F129 HydrophobicContact CB-CZ 4.17Å; F123-F129 WeakPolarHBondContact O-CE2 3.47Å; S126-F129 PolarHBondContact O-N 3.01Å; F129-I131 PolarHBondContact O-N 3.13Å; F129-A132 PolarHBondContact O-N 3.46Å; F129-A132 VanDerWaalsContact O-N 3.15Å; F129-I133 HydrophobicContact CB-CD1 4.19Å; F129-I133 WeakPolarHBondContact O-CB 3.29Å; F129-I133 WeakPolarHBondContact O-CD1 3.49Å; F129-I133 WeakPolarHBondContact O-CG1 3.46Å; F129-I133 PolarHBondContact O-N 3Å; F129-V148 HydrophobicContact CD1-CG1 3.76Å; F129-M152 HydrophobicContact CB-CB 4.45Å; F129-M152 HydrophobicContact CB-CE 4.5Å; F129-M152 HydrophobicContact CB-CG 4.09Å; F129-M152 HydrophobicContact CB-SD 3.53Å; F129-M152 VanDerWaalsContact CB-SD 3.53Å; F129-M152 HydrophobicContact CD1-CB 3.55Å; F129-M152 HydrophobicContact CD1-CG 3.88Å; F129-M152 HydrophobicContact CD1-SD 4.38Å; F129-M152 HydrophobicContact CD2-CG 4.05Å; F129-M152 HydrophobicContact CD2-SD 4.41Å; F129-M152 HydrophobicContact CE1-CB 3.85Å; F129-M152 HydrophobicContact CE1-CG 4.3Å; F129-M152 HydrophobicContact CE2-CG 4.46Å; F129-M152 HydrophobicContact CG-CB 3.96Å; F129-M152 HydrophobicContact CG-CG 3.74Å; F129-M152 HydrophobicContact CG-SD 3.88Å; F129-M152 HydrophobicContact CZ-CB 4.49Å; F129-V157 HydrophobicContact CD2-CG1 4.21Å; F129-V157 HydrophobicContact CE2-CB 4.38Å; F129-V157 HydrophobicContact CE2-CG1 4.26Å; F129-V157 HydrophobicContact CE2-CG2 3.88Å; F129-V157 HydrophobicContact CZ-CG2 4.3Å
130N96.6Very high93.4Very high1 Ų125.4 Ų25.41%0.00514%0.143CC..Hα-helixtrans-60.3-41.1-179.4-69-6.6000112.6L6 S126 T127 N134 N160 T163 L166L6-N130 HydrophobicContact CD1-CB 4.07Å; L6-N130 WeakPolarHBondContact CD1-O 3.39Å; S126-N130 WeakPolarHBondContact O-CB 3.41Å; S126-N130 PolarHBondContact O-N 3.27Å; S126-N130 PolarHBondContact O-OD1 3.28Å; T127-N130 PolarHBondContact O-N 3.39Å; N130-N134 WeakPolarHBondContact O-CB 3.35Å; N130-N134 PolarHBondContact O-N 3.26Å; N130-N160 PolarHBondContact ND2-ND2 3.32Å; N130-N160 PolarHBondContact ND2-OD1 3.08Å; N130-T163 PolarHBondContact ND2-OG1 3.49Å; N130-T163 WeakPolarHBondContact OD1-CA 3.47Å; N130-T163 WeakPolarHBondContact OD1-CB 3.44Å; N130-T163 PolarHBondContact OD1-OG1 3.46Å; N130-L166 HydrophobicContact CB-CD1 3.92Å; N130-L166 WeakPolarHBondContact O-CD1 3.48Å
131I96.3Very high93.8Very high0 Ų022.6 Ų22.60%013%0.134CC..Hα-helixtrans-62.8-46175.9-67.2163000110.3P95 M98 R99 Y102 T127 T128 F129 M135P95-I131 HydrophobicContact CB-CD1 4.07Å; M98-I131 HydrophobicContact CB-CB 3.98Å; M98-I131 HydrophobicContact CB-CG2 3.7Å; R99-I131 HydrophobicContact CG-CD1 4.14Å; Y102-I131 HydrophobicContact CD2-CG2 4.07Å; T127-I131 HydrophobicContact CG2-CD1 3.95Å; T127-I131 HydrophobicContact CG2-CG1 4.35Å; T127-I131 WeakPolarHBondContact O-CD1 3.46Å; T127-I131 VanDerWaalsContact O-CG1 3.26Å; T127-I131 WeakPolarHBondContact O-CG1 3.29Å; T127-I131 PolarHBondContact O-N 2.88Å; T128-I131 PolarHBondContact O-N 2.85Å; F129-I131 PolarHBondContact O-N 3.13Å; I131-M135 WeakPolarHBondContact O-CB 3.25Å; I131-M135 PolarHBondContact O-N 2.96Å
132A97.2Very high94.4Very high0 Ų022.9 Ų22.90%013%0.125CC..Hα-helixtrans-64.1-47.217900000112.3M98 A110 L114 T128 F129 N134 M135 L136M98-A132 HydrophobicContact SD-CB 3.95Å; A110-A132 HydrophobicContact CB-CB 4.43Å; L114-A132 HydrophobicContact CD1-CB 3.44Å; L114-A132 VanDerWaalsContact CD1-CB 3.44Å; T128-A132 PolarHBondContact O-N 2.95Å; F129-A132 PolarHBondContact O-N 3.46Å; F129-A132 VanDerWaalsContact O-N 3.15Å; A132-N134 PolarHBondContact O-N 3.3Å; A132-M135 WeakPolarHBondContact O-CB 3.45Å; A132-M135 PolarHBondContact O-N 3.24Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 VanDerWaalsContact O-CG 3.26Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 3.47Å
133I97.5Very high94.8Very high0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-61.9-44.6178.3-65158.2000110.4F129 M135 L136 F137 A145 V148 L149 L166F129-I133 HydrophobicContact CB-CD1 4.19Å; F129-I133 WeakPolarHBondContact O-CB 3.29Å; F129-I133 WeakPolarHBondContact O-CD1 3.49Å; F129-I133 WeakPolarHBondContact O-CG1 3.46Å; F129-I133 PolarHBondContact O-N 3Å; I133-M135 VanDerWaalsContact C-N 3.35Å; I133-M135 PolarHBondContact O-N 3.4Å; I133-L136 PolarHBondContact O-N 3.34Å; I133-F137 VanDerWaalsContact O-CB 3.26Å; I133-F137 WeakPolarHBondContact O-CB 3.35Å; I133-F137 PolarHBondContact O-N 3.1Å; I133-A145 HydrophobicContact CG2-CB 4.27Å; I133-V148 HydrophobicContact CD1-CG1 4.1Å; I133-V148 HydrophobicContact CG1-CB 4.1Å; I133-V148 HydrophobicContact CG1-CG1 3.64Å; I133-L149 HydrophobicContact CD1-CD2 3.56Å; I133-L149 HydrophobicContact CD1-CG 3.69Å; I133-L149 HydrophobicContact CG1-CG 4.23Å; I133-L149 HydrophobicContact CG2-CD1 4.45Å; I133-L166 HydrophobicContact CB-CD1 4.17Å; I133-L166 HydrophobicContact CG2-CB 3.78Å; I133-L166 HydrophobicContact CG2-CD1 4.09Å; I133-L166 HydrophobicContact CG2-CD2 4.31Å; I133-L166 HydrophobicContact CG2-CG 4.3Å
134N95.3Very high95.2Very high0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-63.4-39.6176.6177.973.3000112.2L5 L6 I11 N130 A132 F137 V138 L166L5-N134 PolarHBondContact N-OD1 3.44Å; L6-N134 HydrophobicContact CD1-CB 3.68Å; L6-N134 HydrophobicContact CG-CB 3.87Å; L6-N134 PolarHBondContact N-OD1 2.94Å; I11-N134 VanDerWaalsContact CD1-ND2 3.32Å; I11-N134 WeakPolarHBondContact CD1-ND2 3.28Å; N130-N134 WeakPolarHBondContact O-CB 3.35Å; N130-N134 PolarHBondContact O-N 3.26Å; A132-N134 PolarHBondContact O-N 3.3Å; N134-F137 PolarHBondContact O-N 3.43Å; N134-V138 WeakPolarHBondContact O-CB 3.38Å; N134-V138 WeakPolarHBondContact O-CG2 3.38Å; N134-V138 PolarHBondContact O-N 3.44Å; N134-L166 HydrophobicContact CB-CD1 4.47Å; N134-L166 HydrophobicContact CB-CD2 3.96Å
135M94.4Very high95.7Very high3 Ų324.6 Ų24.62%0.01514%0.136CC..Hα-helixtrans-60.8-51173.8-179.617832.900111.4C101 Y102 E107 A110 I131 A132 I133 F137 V138 K139C101-M135 HydrophobicContact CB-CE 4.03Å; C101-M135 HydrophobicContact CB-SD 4.4Å; Y102-M135 VanDerWaalsContact CA-SD 3.53Å; Y102-M135 HydrophobicContact CD2-CB 3.63Å; Y102-M135 HydrophobicContact CD2-CG 3.98Å; Y102-M135 HydrophobicContact CD2-SD 4.25Å; Y102-M135 HydrophobicContact CE2-CB 3.6Å; Y102-M135 HydrophobicContact CE2-CG 4.12Å; Y102-M135 HydrophobicContact CG-CG 4.43Å; Y102-M135 HydrophobicContact CG-SD 4.33Å; E107-M135 HydrophobicContact CB-CE 4.44Å; E107-M135 HydrophobicContact CB-CG 3.97Å; E107-M135 HydrophobicContact CB-SD 3.94Å; A110-M135 HydrophobicContact CB-CE 3.34Å; I131-M135 WeakPolarHBondContact O-CB 3.25Å; I131-M135 PolarHBondContact O-N 2.96Å; A132-M135 WeakPolarHBondContact O-CB 3.45Å; A132-M135 PolarHBondContact O-N 3.24Å; I133-M135 VanDerWaalsContact C-N 3.35Å; I133-M135 PolarHBondContact O-N 3.4Å; M135-F137 VanDerWaalsContact C-N 3.31Å; M135-F137 PolarHBondContact O-N 3.07Å; M135-V138 PolarHBondContact O-N 2.94Å; M135-K139 VanDerWaalsContact O-CG 3.29Å; M135-K139 WeakPolarHBondContact O-CG 3.46Å; M135-K139 PolarHBondContact O-N 3.22Å; M135-K139 VanDerWaalsContact O-N 3.09Å
136L97Very high96.1Very high1 Ų123.9 Ų23.91%0.00513%0.132CC..Hα-helixtrans-59.3-42.7177.8-68.8163.7000111.4E107 A111 A132 I133 K139 G140 L141 A145 V148E107-L136 HydrophobicContact CB-CD2 3.95Å; A111-L136 HydrophobicContact CB-CD1 4.1Å; A111-L136 HydrophobicContact CB-CD2 4.22Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 VanDerWaalsContact O-CG 3.26Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 3.47Å; I133-L136 PolarHBondContact O-N 3.34Å; L136-K139 CarbonylContact O-C 3.6Å; L136-K139 PolarHBondContact O-N 3.44Å; L136-G140 PolarHBondContact O-N 3.27Å; L136-G140 VanDerWaalsContact O-N 3.07Å; L136-L141 HydrophobicContact CB-CB 4.35Å; L136-L141 HydrophobicContact CD2-CB 3.92Å; L136-L141 HydrophobicContact CD2-CD1 3.91Å; L136-L141 PolarHBondContact O-N 3.36Å; L136-A145 HydrophobicContact CB-CB 3.86Å; L136-A145 HydrophobicContact CD1-CB 4.36Å; L136-V148 HydrophobicContact CD1-CG2 3.87Å
137F95.3Very high96.3Very high0 Ų026.5 Ų26.50%015%0.145CC..Hα-helixtrans-60.4-46.5176.6-174.8-85.2000112.3L5 I133 N134 M135 K139 G140 Y142 A169 K173L5-F137 HydrophobicContact CD1-CD1 3.62Å; L5-F137 HydrophobicContact CD1-CD2 3.95Å; L5-F137 HydrophobicContact CD1-CE1 3.48Å; L5-F137 VanDerWaalsContact CD1-CE1 3.48Å; L5-F137 HydrophobicContact CD1-CE2 3.82Å; L5-F137 HydrophobicContact CD1-CG 3.86Å; L5-F137 HydrophobicContact CD1-CZ 3.59Å; L5-F137 HydrophobicContact CD2-CE1 4.06Å; L5-F137 HydrophobicContact CD2-CZ 4.45Å; L5-F137 HydrophobicContact CG-CD1 3.85Å; L5-F137 HydrophobicContact CG-CE1 3.7Å; L5-F137 HydrophobicContact CG-CZ 4.25Å; I133-F137 VanDerWaalsContact O-CB 3.26Å; I133-F137 WeakPolarHBondContact O-CB 3.35Å; I133-F137 PolarHBondContact O-N 3.1Å; N134-F137 PolarHBondContact O-N 3.43Å; M135-F137 VanDerWaalsContact C-N 3.31Å; M135-F137 PolarHBondContact O-N 3.07Å; F137-K139 PolarHBondContact O-N 3.22Å; F137-G140 PolarHBondContact O-N 2.72Å; F137-G140 VanDerWaalsContact O-N 3.1Å; F137-Y142 AromaticContact CD2-CD1 3.9Å; F137-Y142 HydrophobicContact CD2-CD1 3.9Å; F137-Y142 AromaticContact CD2-CE1 3.68Å; F137-Y142 HydrophobicContact CD2-CE1 3.68Å; F137-Y142 HydrophobicContact CE2-CD1 4.26Å; F137-Y142 AromaticContact CE2-CE1 3.83Å; F137-Y142 HydrophobicContact CE2-CE1 3.83Å; F137-Y142 HydrophobicContact CG-CE1 4.08Å; F137-Y142 HydrophobicContact CZ-CE1 4.35Å; F137-Y142 WeakPolarHBondContact O-CE1 3.48Å; F137-A169 HydrophobicContact CE2-CB 3.83Å; F137-A169 HydrophobicContact CZ-CB 4.18Å; F137-K173 HydrophobicContact CE2-CB 4.49Å; F137-K173 HydrophobicContact CE2-CG 3.56Å; F137-K173 HydrophobicContact CZ-CD 4.5Å; F137-K173 HydrophobicContact CZ-CG 3.81Å
138V92.1Very high96.5Very high43 Ų4324.7 Ų24.726%0.26113%0.134SC..Hα-helixtrans-59.9-36.4176.9168.70000111.1R3 H4 N134 M135 G140R3-V138 WeakPolarHBondContact O-CG2 3.25Å; H4-V138 HydrophobicContact CB-CG2 4.45Å; N134-V138 WeakPolarHBondContact O-CB 3.38Å; N134-V138 WeakPolarHBondContact O-CG2 3.38Å; N134-V138 PolarHBondContact O-N 3.44Å; M135-V138 PolarHBondContact O-N 2.94Å; V138-G140 VanDerWaalsContact C-N 3.3Å
139K93.6Very high96.6Very high102 Ų10225 Ų2544%0.44314%0.135SC..THydrogen-bonded Turntrans-81.3-5.1179.1-65.2-69.7-169.5123.90114E107 M135 L136 F137 L141E107-K139 HydrophobicContact CB-CG 4.48Å; E107-K139 VanDerWaalsContact CD-NZ 3.31Å; E107-K139 HydrophobicContact CG-CG 4.13Å; E107-K139 WeakPolarHBondContact OE1-CD 3.41Å; E107-K139 WeakPolarHBondContact OE1-CE 3.37Å; E107-K139 IonicContact OE1-NZ 3.2Å; E107-K139 PolarHBondContact OE1-NZ 3.29Å; E107-K139 WeakPolarHBondContact OE2-CE 3.26Å; E107-K139 IonicContact OE2-NZ 3.39Å; E107-K139 PolarHBondContact OE2-NZ 2.81Å; M135-K139 VanDerWaalsContact O-CG 3.29Å; M135-K139 WeakPolarHBondContact O-CG 3.46Å; M135-K139 PolarHBondContact O-N 3.22Å; M135-K139 VanDerWaalsContact O-N 3.09Å; L136-K139 CarbonylContact O-C 3.6Å; L136-K139 PolarHBondContact O-N 3.44Å; F137-K139 PolarHBondContact O-N 3.22Å; K139-L141 VanDerWaalsContact C-N 3.28Å; K139-L141 HydrophobicContact CB-CD1 4.39Å; K139-L141 HydrophobicContact CB-CG 4.14Å; K139-L141 PolarHBondContact O-N 2.91Å
140G94.6Very high96.6Very high34 Ų3429.7 Ų29.735%0.35115%0.153SC..THydrogen-bonded Turntrans76.611.4-177.400000114.5L136 F137 V138 Y142L136-G140 PolarHBondContact O-N 3.27Å; L136-G140 VanDerWaalsContact O-N 3.07Å; F137-G140 PolarHBondContact O-N 2.72Å; F137-G140 VanDerWaalsContact O-N 3.1Å; V138-G140 VanDerWaalsContact C-N 3.3Å; G140-Y142 VanDerWaalsContact C-N 3.26Å; G140-Y142 WeakPolarHBondContact O-CD2 3.4Å; G140-Y142 PolarHBondContact O-N 3.43Å
141L97.6Very high96.6Very high70 Ų7030.8 Ų30.837%0.36616%0.16SC..  trans-86.363.7179.7-58.9-178000110.7E107 L136 K139 S144 A145E107-L141 HydrophobicContact CB-CD1 4.36Å; E107-L141 HydrophobicContact CG-CD1 3.65Å; L136-L141 HydrophobicContact CB-CB 4.35Å; L136-L141 HydrophobicContact CD2-CB 3.92Å; L136-L141 HydrophobicContact CD2-CD1 3.91Å; L136-L141 PolarHBondContact O-N 3.36Å; K139-L141 VanDerWaalsContact C-N 3.28Å; K139-L141 HydrophobicContact CB-CD1 4.39Å; K139-L141 HydrophobicContact CB-CG 4.14Å; K139-L141 PolarHBondContact O-N 2.91Å; L141-S144 PolarHBondContact O-N 3.23Å; L141-A145 PolarHBondContact O-N 3.25Å
142Y97.4Very high96.7Very high40 Ų4030.8 Ų30.816%0.15716%0.16CC..Hα-helixtrans-69.6-34.8-169.8-54.8-54.2000114F137 G140 A145 M146 T170 K173F137-Y142 AromaticContact CD2-CD1 3.9Å; F137-Y142 HydrophobicContact CD2-CD1 3.9Å; F137-Y142 AromaticContact CD2-CE1 3.68Å; F137-Y142 HydrophobicContact CD2-CE1 3.68Å; F137-Y142 HydrophobicContact CE2-CD1 4.26Å; F137-Y142 AromaticContact CE2-CE1 3.83Å; F137-Y142 HydrophobicContact CE2-CE1 3.83Å; F137-Y142 HydrophobicContact CG-CE1 4.08Å; F137-Y142 HydrophobicContact CZ-CE1 4.35Å; F137-Y142 WeakPolarHBondContact O-CE1 3.48Å; G140-Y142 VanDerWaalsContact C-N 3.26Å; G140-Y142 WeakPolarHBondContact O-CD2 3.4Å; G140-Y142 PolarHBondContact O-N 3.43Å; Y142-A145 WeakPolarHBondContact O-CB 3.38Å; Y142-A145 PolarHBondContact O-N 3.13Å; Y142-M146 PolarHBondContact O-N 3.36Å; Y142-T170 VanDerWaalsContact O-CG2 3.3Å; Y142-T170 WeakPolarHBondContact O-CG2 3.2Å; Y142-K173 HydrophobicContact CD1-CB 3.78Å; Y142-K173 HydrophobicContact CD1-CG 4.11Å; Y142-K173 HydrophobicContact CD2-CB 3.71Å; Y142-K173 HydrophobicContact CE1-CB 3.78Å; Y142-K173 HydrophobicContact CE1-CD 4.36Å; Y142-K173 HydrophobicContact CE1-CG 3.64Å; Y142-K173 HydrophobicContact CE2-CB 3.69Å; Y142-K173 HydrophobicContact CE2-CD 4.22Å; Y142-K173 HydrophobicContact CE2-CG 4.06Å; Y142-K173 HydrophobicContact CG-CB 3.75Å
143E98Very high96.5Very high102 Ų10236.1 Ų36.148%0.47718%0.183SC..Hα-helixtrans-65.9-46.5175.6-68.4-64.2173.600111.2A145 M146 D147 L174E143-A145 VanDerWaalsContact C-N 3.27Å; E143-A145 PolarHBondContact O-N 3.38Å; E143-M146 CarbonylContact O-C 3.59Å; E143-M146 WeakPolarHBondContact O-CA 3.34Å; E143-M146 VanDerWaalsContact O-CB 3.32Å; E143-M146 WeakPolarHBondContact O-CB 3.39Å; E143-M146 PolarHBondContact O-N 3.22Å; E143-D147 PolarHBondContact O-N 2.75Å; E143-L174 HydrophobicContact CG-CD2 3.98Å; E143-L174 VanDerWaalsContact OE1-CD2 3.29Å; E143-L174 WeakPolarHBondContact OE1-CD2 3.38Å
144S98.3Very high96.4Very high46 Ų4640.3 Ų40.332%0.32221%0.212SC..Hα-helixtrans-61.1-36.6174.1-55.50000112.2L141 M146 D147 V148L141-S144 PolarHBondContact O-N 3.23Å; S144-M146 VanDerWaalsContact C-N 3.32Å; S144-D147 PolarHBondContact O-N 3.03Å; S144-V148 WeakPolarHBondContact O-CG2 3.48Å; S144-V148 PolarHBondContact O-N 3.05Å
145A98.3Very high96.3Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-62.7-39.717300000111.8I133 L136 L141 Y142 E143 V148 L149 T170I133-A145 HydrophobicContact CG2-CB 4.27Å; L136-A145 HydrophobicContact CB-CB 3.86Å; L136-A145 HydrophobicContact CD1-CB 4.36Å; L141-A145 PolarHBondContact O-N 3.25Å; Y142-A145 WeakPolarHBondContact O-CB 3.38Å; Y142-A145 PolarHBondContact O-N 3.13Å; E143-A145 VanDerWaalsContact C-N 3.27Å; E143-A145 PolarHBondContact O-N 3.38Å; A145-V148 PolarHBondContact O-N 3.06Å; A145-L149 WeakPolarHBondContact O-CG 3.41Å; A145-L149 PolarHBondContact O-N 3.28Å; A145-T170 HydrophobicContact CB-CG2 3.88Å
146M98.1Very high96.2Very high6 Ų644.9 Ų44.93%0.0325%0.25CS..Hα-helixtrans-65-40.3174.9-168.455.465.600112.1Y142 E143 S144 V148 L149 R150 T170 C171 L174Y142-M146 PolarHBondContact O-N 3.36Å; E143-M146 CarbonylContact O-C 3.59Å; E143-M146 WeakPolarHBondContact O-CA 3.34Å; E143-M146 VanDerWaalsContact O-CB 3.32Å; E143-M146 WeakPolarHBondContact O-CB 3.39Å; E143-M146 PolarHBondContact O-N 3.22Å; S144-M146 VanDerWaalsContact C-N 3.32Å; M146-V148 VanDerWaalsContact C-N 3.34Å; M146-V148 PolarHBondContact O-N 3.15Å; M146-L149 HydrophobicContact CE-CD1 4.5Å; M146-L149 WeakPolarHBondContact O-CB 3.2Å; M146-L149 PolarHBondContact O-N 3.11Å; M146-L149 HydrophobicContact SD-CD1 4.3Å; M146-R150 WeakPolarHBondContact O-CG 3.45Å; M146-R150 PolarHBondContact O-N 3.03Å; M146-T170 HydrophobicContact CB-CG2 4.48Å; M146-T170 HydrophobicContact CE-CG2 3.9Å; M146-C171 WeakPolarHBondContact CE-SG 3.24Å; M146-L174 HydrophobicContact CB-CD1 4.1Å; M146-L174 HydrophobicContact CE-CD1 3.87Å; M146-L174 HydrophobicContact CG-CD1 4.41Å
147D98.2Very high96Very high69 Ų6945.3 Ų45.337%0.36925%0.253SS..Hα-helixtrans-65.1-38.3176.6-68.7-23.4000112.5T115 E143 S144 R150 T151T115-D147 HydrophobicContact CG2-CB 4.41Å; E143-D147 PolarHBondContact O-N 2.75Å; S144-D147 PolarHBondContact O-N 3.03Å; D147-R150 PolarHBondContact O-N 3.1Å; D147-R150 IonicContact OD1-NH1 3.55Å; D147-R150 PolarHBondContact OD1-NH1 3.06Å; D147-T151 WeakPolarHBondContact O-CB 3.4Å; D147-T151 PolarHBondContact O-N 3.26Å; D147-T151 PolarHBondContact O-OG1 3.3Å
148V98.4Very high95.8Very high0 Ų049.5 Ų49.50%028%0.28CS..Hα-helixtrans-64.7-40.3172.8174.80000111A111 L114 T115 F129 I133 L136 S144 A145 M146 T151 M152A111-V148 HydrophobicContact CB-CG2 4.17Å; L114-V148 HydrophobicContact CB-CG1 4.45Å; L114-V148 HydrophobicContact CD1-CG1 3.72Å; T115-V148 HydrophobicContact CG2-CG2 4.1Å; F129-V148 HydrophobicContact CD1-CG1 3.76Å; I133-V148 HydrophobicContact CD1-CG1 4.1Å; I133-V148 HydrophobicContact CG1-CB 4.1Å; I133-V148 HydrophobicContact CG1-CG1 3.64Å; L136-V148 HydrophobicContact CD1-CG2 3.87Å; S144-V148 WeakPolarHBondContact O-CG2 3.48Å; S144-V148 PolarHBondContact O-N 3.05Å; A145-V148 PolarHBondContact O-N 3.06Å; M146-V148 VanDerWaalsContact C-N 3.34Å; M146-V148 PolarHBondContact O-N 3.15Å; V148-T151 PolarHBondContact O-N 3.44Å; V148-M152 WeakPolarHBondContact O-CB 3.21Å; V148-M152 PolarHBondContact O-N 3.26Å
149L97.9Very high95.9Very high7 Ų749 Ų494%0.03728%0.275CS..Hα-helixtrans-63.3-45.8174.5-78.7160.9000112.6I133 A145 M146 T151 M152 K153 F159 T163 A167I133-L149 HydrophobicContact CD1-CD2 3.56Å; I133-L149 HydrophobicContact CD1-CG 3.69Å; I133-L149 HydrophobicContact CG1-CG 4.23Å; I133-L149 HydrophobicContact CG2-CD1 4.45Å; A145-L149 WeakPolarHBondContact O-CG 3.41Å; A145-L149 PolarHBondContact O-N 3.28Å; M146-L149 HydrophobicContact CE-CD1 4.5Å; M146-L149 WeakPolarHBondContact O-CB 3.2Å; M146-L149 PolarHBondContact O-N 3.11Å; M146-L149 HydrophobicContact SD-CD1 4.3Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 2.99Å; L149-M152 WeakPolarHBondContact O-CB 3.27Å; L149-M152 PolarHBondContact O-N 3.13Å; L149-K153 PolarHBondContact O-N 3.23Å; L149-F159 HydrophobicContact CD2-CE2 4.23Å; L149-F159 HydrophobicContact CD2-CZ 3.89Å; L149-T163 HydrophobicContact CD2-CG2 3.96Å; L149-A167 HydrophobicContact CD1-CB 3.97Å; L149-A167 HydrophobicContact CD2-CB 3.84Å
150R97.1Very high95.9Very high99 Ų9946.6 Ų46.637%0.37427%0.266SS..Hα-helixtrans-59.9-41.4175.3-71.7172.6-178.5136.9-4.2110.9M146 D147 K153 S154 E178M146-R150 WeakPolarHBondContact O-CG 3.45Å; M146-R150 PolarHBondContact O-N 3.03Å; D147-R150 PolarHBondContact O-N 3.1Å; D147-R150 IonicContact OD1-NH1 3.55Å; D147-R150 PolarHBondContact OD1-NH1 3.06Å; R150-K153 PolarHBondContact O-N 3.28Å; R150-S154 WeakPolarHBondContact O-CB 3.5Å; R150-S154 PolarHBondContact O-N 2.84Å; R150-S154 PolarHBondContact O-OG 3.49Å; R150-E178 IonicContact NH2-OE1 2.81Å; R150-E178 PolarHBondContact NH2-OE1 2.83Å
151T97.1Very high95.8Very high24 Ų2450.8 Ų50.815%0.14728%0.275CS..Hα-helixtrans-66.2-43.6176.8-59.70000111.9L114 D147 V148 L149 K153 S154 Q155L114-T151 VanDerWaalsContact O-CG2 3.27Å; L114-T151 WeakPolarHBondContact O-CG2 3.5Å; D147-T151 WeakPolarHBondContact O-CB 3.4Å; D147-T151 PolarHBondContact O-N 3.26Å; D147-T151 PolarHBondContact O-OG1 3.3Å; V148-T151 PolarHBondContact O-N 3.44Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 2.99Å; T151-K153 VanDerWaalsContact C-N 3.32Å; T151-K153 PolarHBondContact O-N 3.01Å; T151-S154 PolarHBondContact O-N 3.33Å; T151-S154 PolarHBondContact O-OG 3.38Å; T151-S154 VanDerWaalsContact O-OG 3.08Å; T151-Q155 HydrophobicContact CG2-CG 4.2Å; T151-Q155 WeakPolarHBondContact O-CB 3.4Å; T151-Q155 VanDerWaalsContact O-CG 3.27Å; T151-Q155 WeakPolarHBondContact O-CG 3.21Å; T151-Q155 PolarHBondContact O-N 2.9Å
152M96.9Very high95.6Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-56-47.4174.6-171.8-178.5168.600111.2F129 V148 L149 Q155 G156 V157 P158 F159 T163F129-M152 HydrophobicContact CB-CB 4.45Å; F129-M152 HydrophobicContact CB-CE 4.5Å; F129-M152 HydrophobicContact CB-CG 4.09Å; F129-M152 HydrophobicContact CB-SD 3.53Å; F129-M152 VanDerWaalsContact CB-SD 3.53Å; F129-M152 HydrophobicContact CD1-CB 3.55Å; F129-M152 HydrophobicContact CD1-CG 3.88Å; F129-M152 HydrophobicContact CD1-SD 4.38Å; F129-M152 HydrophobicContact CD2-CG 4.05Å; F129-M152 HydrophobicContact CD2-SD 4.41Å; F129-M152 HydrophobicContact CE1-CB 3.85Å; F129-M152 HydrophobicContact CE1-CG 4.3Å; F129-M152 HydrophobicContact CE2-CG 4.46Å; F129-M152 HydrophobicContact CG-CB 3.96Å; F129-M152 HydrophobicContact CG-CG 3.74Å; F129-M152 HydrophobicContact CG-SD 3.88Å; F129-M152 HydrophobicContact CZ-CB 4.49Å; V148-M152 WeakPolarHBondContact O-CB 3.21Å; V148-M152 PolarHBondContact O-N 3.26Å; L149-M152 WeakPolarHBondContact O-CB 3.27Å; L149-M152 PolarHBondContact O-N 3.13Å; M152-Q155 PolarHBondContact O-N 3.4Å; M152-G156 PolarHBondContact O-N 3Å; M152-V157 HydrophobicContact CE-CB 4.24Å; M152-V157 HydrophobicContact CE-CG1 3.67Å; M152-V157 HydrophobicContact CG-CB 3.68Å; M152-V157 HydrophobicContact CG-CG1 3.99Å; M152-V157 PolarHBondContact O-N 3.15Å; M152-P158 WeakPolarHBondContact CE-O 3.49Å; M152-F159 HydrophobicContact CB-CE1 4.28Å; M152-F159 HydrophobicContact CE-CD1 3.89Å; M152-F159 HydrophobicContact CE-CE1 4.32Å; M152-F159 HydrophobicContact CG-CD1 4.47Å; M152-F159 HydrophobicContact CG-CE1 4.08Å; M152-F159 HydrophobicContact SD-CD1 4.04Å; M152-F159 HydrophobicContact SD-CE1 3.88Å; M152-T163 HydrophobicContact CE-CG2 3.74Å; M152-T163 HydrophobicContact SD-CG2 3.53Å; M152-T163 VanDerWaalsContact SD-CG2 3.53Å
153K94.5Very high95.5Very high113 Ų11347.1 Ų47.149%0.49126%0.259SS..Hα-helixtrans-64.7-43.8178-169.3167.1-175.3165.10111.8L149 R150 T151 Q155 G156 F159 E189L149-K153 PolarHBondContact O-N 3.23Å; R150-K153 PolarHBondContact O-N 3.28Å; T151-K153 VanDerWaalsContact C-N 3.32Å; T151-K153 PolarHBondContact O-N 3.01Å; K153-Q155 VanDerWaalsContact C-N 3.31Å; K153-Q155 PolarHBondContact O-N 3.4Å; K153-G156 PolarHBondContact O-N 3.44Å; K153-G156 VanDerWaalsContact O-N 3.07Å; K153-F159 HydrophobicContact CB-CE1 4.19Å; K153-F159 HydrophobicContact CB-CZ 4.36Å; K153-E189 IonicContact NZ-OE1 2.63Å; K153-E189 IonicContact NZ-OE2 3.3Å
154S94.6Very high95.4Very high88 Ų8842.5 Ų42.562%0.61524%0.237SC*.Hα-helixtrans-70.6-24.4-179.675.30000113.9R150 T151 G156R150-S154 WeakPolarHBondContact O-CB 3.5Å; R150-S154 PolarHBondContact O-N 2.84Å; R150-S154 PolarHBondContact O-OG 3.49Å; T151-S154 PolarHBondContact O-N 3.33Å; T151-S154 PolarHBondContact O-OG 3.38Å; T151-S154 VanDerWaalsContact O-OG 3.08Å; S154-G156 VanDerWaalsContact C-N 3.28Å
155Q92.8Very high95.2Very high37 Ų3740.7 Ų40.717%0.17322%0.224CC..THydrogen-bonded Turntrans-83.6-2.5171.7-66.1-166.840.900113.1K120 T151 M152 K153 V157K120-Q155 HydrophobicContact CG-CG 4.18Å; T151-Q155 HydrophobicContact CG2-CG 4.2Å; T151-Q155 WeakPolarHBondContact O-CB 3.4Å; T151-Q155 VanDerWaalsContact O-CG 3.27Å; T151-Q155 WeakPolarHBondContact O-CG 3.21Å; T151-Q155 PolarHBondContact O-N 2.9Å; M152-Q155 PolarHBondContact O-N 3.4Å; K153-Q155 VanDerWaalsContact C-N 3.31Å; K153-Q155 PolarHBondContact O-N 3.4Å; Q155-V157 VanDerWaalsContact C-N 3.27Å; Q155-V157 HydrophobicContact CB-CG2 4.2Å; Q155-V157 PolarHBondContact O-N 3.09Å
156G92.4Very high95.2Very high62 Ų6240.7 Ų40.764%0.63922%0.224SC*.THydrogen-bonded Turntrans72.518.118000000114M152 K153 S154M152-G156 PolarHBondContact O-N 3Å; K153-G156 PolarHBondContact O-N 3.44Å; K153-G156 VanDerWaalsContact O-N 3.07Å; S154-G156 VanDerWaalsContact C-N 3.28Å
157V93.1Very high95.2Very high9 Ų940.6 Ų40.66%0.05522%0.224CC..PPolyproline II helixtrans-76.3121.1176.4-177.30000108.2F129 M152 Q155F129-V157 HydrophobicContact CD2-CG1 4.21Å; F129-V157 HydrophobicContact CE2-CB 4.38Å; F129-V157 HydrophobicContact CE2-CG1 4.26Å; F129-V157 HydrophobicContact CE2-CG2 3.88Å; F129-V157 HydrophobicContact CZ-CG2 4.3Å; M152-V157 HydrophobicContact CE-CB 4.24Å; M152-V157 HydrophobicContact CE-CG1 3.67Å; M152-V157 HydrophobicContact CG-CB 3.68Å; M152-V157 HydrophobicContact CG-CG1 3.99Å; M152-V157 PolarHBondContact O-N 3.15Å; Q155-V157 VanDerWaalsContact C-N 3.27Å; Q155-V157 HydrophobicContact CB-CG2 4.2Å; Q155-V157 PolarHBondContact O-N 3.09Å
158P91.8Very high95.1Very high88 Ų8837.3 Ų37.357%0.57121%0.206SC*.PPolyproline II helixtrans-68.2138.4-170.726.8-34.6000111.7S126 M152S126-P158 PolarHBondContact OG-O 3.06Å; M152-P158 WeakPolarHBondContact CE-O 3.49Å
159F93.9Very high95.1Very high34 Ų3437.3 Ų37.315%0.14921%0.206CC..PPolyproline II helixtrans-71.8131.5171.3-78.424.5000108.4L149 M152 K153 T163 A167 L186L149-F159 HydrophobicContact CD2-CE2 4.23Å; L149-F159 HydrophobicContact CD2-CZ 3.89Å; M152-F159 HydrophobicContact CB-CE1 4.28Å; M152-F159 HydrophobicContact CE-CD1 3.89Å; M152-F159 HydrophobicContact CE-CE1 4.32Å; M152-F159 HydrophobicContact CG-CD1 4.47Å; M152-F159 HydrophobicContact CG-CE1 4.08Å; M152-F159 HydrophobicContact SD-CD1 4.04Å; M152-F159 HydrophobicContact SD-CE1 3.88Å; K153-F159 HydrophobicContact CB-CE1 4.19Å; K153-F159 HydrophobicContact CB-CZ 4.36Å; F159-T163 HydrophobicContact CB-CG2 4.08Å; F159-T163 HydrophobicContact CD1-CG2 3.59Å; F159-T163 HydrophobicContact CD2-CG2 3.8Å; F159-T163 HydrophobicContact CE1-CG2 3.87Å; F159-T163 HydrophobicContact CE2-CG2 4.07Å; F159-T163 HydrophobicContact CG-CG2 3.54Å; F159-T163 HydrophobicContact CZ-CG2 4.09Å; F159-A167 HydrophobicContact CE2-CB 4.24Å; F159-L186 HydrophobicContact CD2-CD2 4.09Å; F159-L186 HydrophobicContact CE2-CD1 4.34Å; F159-L186 HydrophobicContact CE2-CD2 3.96Å
160N93.1Very high95.1Very high51 Ų5137 Ų3727%0.27321%0.205SC..  trans-105.7179168.367.724.2000109.6N130 D162 T163 L164N130-N160 PolarHBondContact ND2-ND2 3.32Å; N130-N160 PolarHBondContact ND2-OD1 3.08Å; N160-D162 PolarHBondContact O-N 2.89Å; N160-D162 VanDerWaalsContact O-N 3.09Å; N160-D162 WeakPolarHBondContact OD1-CB 3.29Å; N160-D162 PolarHBondContact OD1-N 2.95Å; N160-T163 PolarHBondContact N-OG1 3.01Å; N160-T163 WeakPolarHBondContact O-CB 3.28Å; N160-T163 PolarHBondContact O-N 3.34Å; N160-T163 PolarHBondContact OD1-N 3.35Å; N160-T163 PolarHBondContact OD1-OG1 3.3Å; N160-L164 PolarHBondContact O-N 2.89Å
161K92Very high95.1Very high121 Ų12132.2 Ų32.253%0.52619%0.187SC..Hα-helixtrans-52-34179.369.5179.9-176.9179.20114.2T165 T198K161-T165 PolarHBondContact O-N 3.17Å; K161-T165 PolarHBondContact O-OG1 3.35Å; K161-T198 HydrophobicContact CB-CG2 3.88Å; K161-T198 HydrophobicContact CD-CG2 4.5Å; K161-T198 HydrophobicContact CG-CG2 4.45Å
162D93.1Very high95.2Very high34 Ų3431.4 Ų31.418%0.18218%0.181CC..Hα-helixtrans-78.3-42.2-179-61.4-35.9000110L6 N160 L164 T165 L166L6-D162 HydrophobicContact CD2-CB 3.77Å; N160-D162 PolarHBondContact O-N 2.89Å; N160-D162 VanDerWaalsContact O-N 3.09Å; N160-D162 WeakPolarHBondContact OD1-CB 3.29Å; N160-D162 PolarHBondContact OD1-N 2.95Å; D162-L164 VanDerWaalsContact C-N 3.34Å; D162-L164 PolarHBondContact O-N 2.86Å; D162-T165 PolarHBondContact O-N 2.92Å; D162-L166 WeakPolarHBondContact O-CB 3.4Å; D162-L166 VanDerWaalsContact O-CG 3.29Å; D162-L166 WeakPolarHBondContact O-CG 3.31Å; D162-L166 PolarHBondContact O-N 3.24Å
163T95.5Very high95.2Very high0 Ų033 Ų330%019%0.188CC..Hα-helixtrans-59.1-45.4173.7-45.70000111.1N130 L149 M152 F159 N160 T165 L166 A167N130-T163 PolarHBondContact ND2-OG1 3.49Å; N130-T163 WeakPolarHBondContact OD1-CA 3.47Å; N130-T163 WeakPolarHBondContact OD1-CB 3.44Å; N130-T163 PolarHBondContact OD1-OG1 3.46Å; L149-T163 HydrophobicContact CD2-CG2 3.96Å; M152-T163 HydrophobicContact CE-CG2 3.74Å; M152-T163 HydrophobicContact SD-CG2 3.53Å; M152-T163 VanDerWaalsContact SD-CG2 3.53Å; F159-T163 HydrophobicContact CB-CG2 4.08Å; F159-T163 HydrophobicContact CD1-CG2 3.59Å; F159-T163 HydrophobicContact CD2-CG2 3.8Å; F159-T163 HydrophobicContact CE1-CG2 3.87Å; F159-T163 HydrophobicContact CE2-CG2 4.07Å; F159-T163 HydrophobicContact CG-CG2 3.54Å; F159-T163 HydrophobicContact CZ-CG2 4.09Å; N160-T163 PolarHBondContact N-OG1 3.01Å; N160-T163 WeakPolarHBondContact O-CB 3.28Å; N160-T163 PolarHBondContact O-N 3.34Å; N160-T163 PolarHBondContact OD1-N 3.35Å; N160-T163 PolarHBondContact OD1-OG1 3.3Å; T163-T165 PolarHBondContact O-N 2.9Å; T163-L166 PolarHBondContact O-N 2.95Å; T163-A167 WeakPolarHBondContact O-CB 3.47Å; T163-A167 PolarHBondContact O-N 3.47Å
164L96Very high95.3Very high4 Ų429.1 Ų29.12%0.02117%0.172CC..Hα-helixtrans-59.3-47178-177.467.4000111.3N160 D162 L166 A167 I168 L186 E190 I197N160-L164 PolarHBondContact O-N 2.89Å; D162-L164 VanDerWaalsContact C-N 3.34Å; D162-L164 PolarHBondContact O-N 2.86Å; L164-L166 PolarHBondContact O-N 3.47Å; L164-A167 PolarHBondContact O-N 2.93Å; L164-I168 HydrophobicContact CD1-CD1 3.94Å; L164-I168 HydrophobicContact CD1-CG1 4.48Å; L164-I168 HydrophobicContact CG-CD1 3.96Å; L164-I168 WeakPolarHBondContact O-CG1 3.41Å; L164-I168 PolarHBondContact O-N 3.32Å; L164-I168 VanDerWaalsContact O-N 3.09Å; L164-L186 HydrophobicContact CD1-CB 3.85Å; L164-E190 HydrophobicContact CD1-CG 4.13Å; L164-E190 HydrophobicContact CD2-CB 4.42Å; L164-E190 HydrophobicContact CD2-CG 4.02Å; L164-I197 HydrophobicContact CD2-CB 4.32Å; L164-I197 HydrophobicContact CD2-CD1 4.49Å; L164-I197 HydrophobicContact CD2-CG1 3.94Å; L164-I197 HydrophobicContact CD2-CG2 3.94Å
165T95.5Very high95.4Very high9 Ų927.5 Ų27.56%0.05516%0.157CC..Hα-helixtrans-60.7-45.6177.9-54.80000111K161 D162 T163 A169 T198 H200 F204K161-T165 PolarHBondContact O-N 3.17Å; K161-T165 PolarHBondContact O-OG1 3.35Å; D162-T165 PolarHBondContact O-N 2.92Å; T163-T165 PolarHBondContact O-N 2.9Å; T165-A169 WeakPolarHBondContact O-CB 3.2Å; T165-A169 PolarHBondContact O-N 3.31Å; T165-T198 PolarHBondContact OG1-OG1 3.41Å; T165-H200 HydrophobicContact CG2-CB 4.14Å; T165-F204 HydrophobicContact CG2-CD2 4.42Å; T165-F204 HydrophobicContact CG2-CE2 4.48Å
166L96.6Very high95.6Very high0 Ų028.3 Ų28.30%017%0.165CC..Hα-helixtrans-64-39.5177.6-72169.8000112.8L5 L6 N130 I133 N134 D162 T163 L164 A169 T170L5-L166 HydrophobicContact CB-CD2 3.79Å; L5-L166 HydrophobicContact CD1-CD2 3.87Å; L5-L166 HydrophobicContact CG-CD2 4.41Å; L6-L166 HydrophobicContact CD1-CD1 4.16Å; L6-L166 HydrophobicContact CD2-CD1 4.06Å; L6-L166 HydrophobicContact CD2-CD2 4.44Å; L6-L166 HydrophobicContact CD2-CG 4.23Å; L6-L166 HydrophobicContact CG-CD1 4.29Å; L6-L166 HydrophobicContact CG-CD2 4.42Å; N130-L166 HydrophobicContact CB-CD1 3.92Å; N130-L166 WeakPolarHBondContact O-CD1 3.48Å; I133-L166 HydrophobicContact CB-CD1 4.17Å; I133-L166 HydrophobicContact CG2-CB 3.78Å; I133-L166 HydrophobicContact CG2-CD1 4.09Å; I133-L166 HydrophobicContact CG2-CD2 4.31Å; I133-L166 HydrophobicContact CG2-CG 4.3Å; N134-L166 HydrophobicContact CB-CD1 4.47Å; N134-L166 HydrophobicContact CB-CD2 3.96Å; D162-L166 WeakPolarHBondContact O-CB 3.4Å; D162-L166 VanDerWaalsContact O-CG 3.29Å; D162-L166 WeakPolarHBondContact O-CG 3.31Å; D162-L166 PolarHBondContact O-N 3.24Å; T163-L166 PolarHBondContact O-N 2.95Å; L164-L166 PolarHBondContact O-N 3.47Å; L166-A169 PolarHBondContact O-N 3.48Å; L166-T170 WeakPolarHBondContact O-CB 3.23Å; L166-T170 PolarHBondContact O-N 3.28Å; L166-T170 PolarHBondContact O-OG1 3.49Å
167A97.9Very high95.8Very high3 Ų328 Ų283%0.02516%0.155CC..Hα-helixtrans-63.9-49.8179.700000111.7L149 F159 T163 L164 T170 C171 L186L149-A167 HydrophobicContact CD1-CB 3.97Å; L149-A167 HydrophobicContact CD2-CB 3.84Å; F159-A167 HydrophobicContact CE2-CB 4.24Å; T163-A167 WeakPolarHBondContact O-CB 3.47Å; T163-A167 PolarHBondContact O-N 3.47Å; L164-A167 PolarHBondContact O-N 2.93Å; A167-T170 PolarHBondContact O-N 3.5Å; A167-C171 PolarHBondContact O-N 2.83Å; A167-C171 PolarHBondContact O-SG 2.72Å; A167-L186 HydrophobicContact CB-CD1 3.81Å
168I97.8Very high95.9Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-67.6-39179.4-59.6166.3000110.2L164 T170 C171 Y172 I187 A201 F204 A205L164-I168 HydrophobicContact CD1-CD1 3.94Å; L164-I168 HydrophobicContact CD1-CG1 4.48Å; L164-I168 HydrophobicContact CG-CD1 3.96Å; L164-I168 WeakPolarHBondContact O-CG1 3.41Å; L164-I168 PolarHBondContact O-N 3.32Å; L164-I168 VanDerWaalsContact O-N 3.09Å; I168-T170 PolarHBondContact O-N 2.83Å; I168-C171 WeakPolarHBondContact O-CB 3.32Å; I168-C171 PolarHBondContact O-N 2.88Å; I168-Y172 WeakPolarHBondContact O-CB 3.42Å; I168-Y172 PolarHBondContact O-N 2.99Å; I168-I187 HydrophobicContact CD1-CD1 3.49Å; I168-I187 VanDerWaalsContact CD1-CD1 3.49Å; I168-I187 HydrophobicContact CD1-CG1 3.93Å; I168-A201 HydrophobicContact CD1-CB 3.99Å; I168-F204 HydrophobicContact CB-CB 4.41Å; I168-F204 HydrophobicContact CG2-CB 3.66Å; I168-A205 HydrophobicContact CG2-CB 3.92Å
169A97.1Very high96.2Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-63-41.4175.100000112.4L5 F137 T165 L166 Y172 K173 F204L5-A169 HydrophobicContact CD1-CB 3.34Å; F137-A169 HydrophobicContact CE2-CB 3.83Å; F137-A169 HydrophobicContact CZ-CB 4.18Å; T165-A169 WeakPolarHBondContact O-CB 3.2Å; T165-A169 PolarHBondContact O-N 3.31Å; L166-A169 PolarHBondContact O-N 3.48Å; A169-Y172 WeakPolarHBondContact O-CB 3.4Å; A169-Y172 PolarHBondContact O-N 3.48Å; A169-K173 WeakPolarHBondContact O-CG 3.41Å; A169-K173 PolarHBondContact O-N 2.72Å; A169-K173 VanDerWaalsContact O-N 3.09Å; A169-F204 HydrophobicContact CB-CD1 3.92Å; A169-F204 HydrophobicContact CB-CD2 3.78Å; A169-F204 HydrophobicContact CB-CE1 3.75Å; A169-F204 HydrophobicContact CB-CE2 3.61Å; A169-F204 HydrophobicContact CB-CG 3.94Å; A169-F204 HydrophobicContact CB-CZ 3.61Å
170T97.9Very high96.4Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-63.3-45.4175.7-56.60000110.4Y142 A145 M146 L166 A167 I168 Y172 K173 L174Y142-T170 VanDerWaalsContact O-CG2 3.3Å; Y142-T170 WeakPolarHBondContact O-CG2 3.2Å; A145-T170 HydrophobicContact CB-CG2 3.88Å; M146-T170 HydrophobicContact CB-CG2 4.48Å; M146-T170 HydrophobicContact CE-CG2 3.9Å; L166-T170 WeakPolarHBondContact O-CB 3.23Å; L166-T170 PolarHBondContact O-N 3.28Å; L166-T170 PolarHBondContact O-OG1 3.49Å; A167-T170 PolarHBondContact O-N 3.5Å; I168-T170 PolarHBondContact O-N 2.83Å; T170-Y172 VanDerWaalsContact C-N 3.32Å; T170-Y172 PolarHBondContact O-N 2.96Å; T170-K173 PolarHBondContact O-N 3.33Å; T170-K173 VanDerWaalsContact O-N 3.15Å; T170-L174 HydrophobicContact CG2-CD1 4.21Å; T170-L174 PolarHBondContact O-N 2.93Å
171C98.3Very high96.6Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-59.2-40.9173.7-70.70000112.7M146 A167 I168 K173 L174 N175 C179 S183 L208M146-C171 WeakPolarHBondContact CE-SG 3.24Å; A167-C171 PolarHBondContact O-N 2.83Å; A167-C171 PolarHBondContact O-SG 2.72Å; I168-C171 WeakPolarHBondContact O-CB 3.32Å; I168-C171 PolarHBondContact O-N 2.88Å; C171-K173 VanDerWaalsContact C-N 3.28Å; C171-K173 PolarHBondContact O-N 3.25Å; C171-L174 PolarHBondContact O-N 3.47Å; C171-N175 PolarHBondContact O-N 2.94Å; C171-C179 HydrophobicContact CB-CB 3.71Å; C171-C179 PolarHBondContact SG-O 2.99Å; C171-S183 WeakPolarHBondContact CB-OG 3.45Å; C171-S183 PolarHBondContact SG-OG 3.19Å; C171-S183 VanDerWaalsContact SG-OG 3.33Å; C171-L208 HydrophobicContact CB-CD2 4.05Å
172Y97.7Very high96.8Very high6 Ų630.3 Ų30.32%0.02415%0.151CC..Hα-helixtrans-59.6-38.1175.8167.3-102.6000112.6I168 A169 T170 F204 A207 L208 R211 D312 L315I168-Y172 WeakPolarHBondContact O-CB 3.42Å; I168-Y172 PolarHBondContact O-N 2.99Å; A169-Y172 WeakPolarHBondContact O-CB 3.4Å; A169-Y172 PolarHBondContact O-N 3.48Å; T170-Y172 VanDerWaalsContact C-N 3.32Å; T170-Y172 PolarHBondContact O-N 2.96Å; Y172-F204 AromaticContact CD1-CD1 3.74Å; Y172-F204 HydrophobicContact CD1-CD1 3.74Å; Y172-F204 AromaticContact CD1-CE1 3.85Å; Y172-F204 HydrophobicContact CD1-CE1 3.85Å; Y172-F204 HydrophobicContact CE1-CD1 4.35Å; Y172-F204 HydrophobicContact CE1-CE1 4.27Å; Y172-F204 AromaticContact CG-CD1 3.9Å; Y172-F204 HydrophobicContact CG-CD1 3.9Å; Y172-F204 HydrophobicContact CG-CE1 4.47Å; Y172-A207 HydrophobicContact CD2-CB 3.88Å; Y172-A207 HydrophobicContact CE2-CB 3.42Å; Y172-A207 VanDerWaalsContact CE2-CB 3.42Å; Y172-L208 HydrophobicContact CD2-CB 4.1Å; Y172-R211 HydrophobicContact CE2-CG 4.41Å; Y172-R211 VanDerWaalsContact CZ-NH1 3.31Å; Y172-R211 PolarHBondContact O-NH1 2.6Å; Y172-R211 PolarHBondContact OH-NH2 3.01Å; Y172-D312 VanDerWaalsContact CE1-OD1 3.28Å; Y172-D312 WeakPolarHBondContact CE1-OD1 3.25Å; Y172-D312 PolarHBondContact OH-OD1 3.38Å; Y172-L315 HydrophobicContact CE1-CD1 3.84Å; Y172-L315 HydrophobicContact CE2-CD1 4.08Å; Y172-L315 WeakPolarHBondContact OH-CD1 3.46Å
173K96.8Very high97Very high35 Ų3528.7 Ų28.715%0.15214%0.143CC..Hα-helixtrans-74.5-37.5177.5-70.3-63.8-172.1-178.90113.1F137 Y142 A169 T170 C171 D312 C316F137-K173 HydrophobicContact CE2-CB 4.49Å; F137-K173 HydrophobicContact CE2-CG 3.56Å; F137-K173 HydrophobicContact CZ-CD 4.5Å; F137-K173 HydrophobicContact CZ-CG 3.81Å; Y142-K173 HydrophobicContact CD1-CB 3.78Å; Y142-K173 HydrophobicContact CD1-CG 4.11Å; Y142-K173 HydrophobicContact CD2-CB 3.71Å; Y142-K173 HydrophobicContact CE1-CB 3.78Å; Y142-K173 HydrophobicContact CE1-CD 4.36Å; Y142-K173 HydrophobicContact CE1-CG 3.64Å; Y142-K173 HydrophobicContact CE2-CB 3.69Å; Y142-K173 HydrophobicContact CE2-CD 4.22Å; Y142-K173 HydrophobicContact CE2-CG 4.06Å; Y142-K173 HydrophobicContact CG-CB 3.75Å; A169-K173 WeakPolarHBondContact O-CG 3.41Å; A169-K173 PolarHBondContact O-N 2.72Å; A169-K173 VanDerWaalsContact O-N 3.09Å; T170-K173 PolarHBondContact O-N 3.33Å; T170-K173 VanDerWaalsContact O-N 3.15Å; C171-K173 VanDerWaalsContact C-N 3.28Å; C171-K173 PolarHBondContact O-N 3.25Å; K173-D312 IonicContact NZ-OD1 3.83Å; K173-D312 PolarHBondContact NZ-OD1 2.95Å; K173-D312 IonicContact NZ-OD2 3.97Å; K173-D312 PolarHBondContact NZ-OD2 3.33Å; K173-C316 WeakPolarHBondContact CE-SG 3.41Å; K173-C316 PolarHBondContact NZ-SG 2.98Å; K173-C316 VanDerWaalsContact NZ-SG 3.4Å
174L97.2Very high97.1Very high31 Ų3129.4 Ų29.416%0.16215%0.146CC..Hα-helixtrans-72.4-35.6175.7-70.1174.3000112.7E143 M146 T170 C171 T176 C179E143-L174 HydrophobicContact CG-CD2 3.98Å; E143-L174 VanDerWaalsContact OE1-CD2 3.29Å; E143-L174 WeakPolarHBondContact OE1-CD2 3.38Å; M146-L174 HydrophobicContact CB-CD1 4.1Å; M146-L174 HydrophobicContact CE-CD1 3.87Å; M146-L174 HydrophobicContact CG-CD1 4.41Å; T170-L174 HydrophobicContact CG2-CD1 4.21Å; T170-L174 PolarHBondContact O-N 2.93Å; C171-L174 PolarHBondContact O-N 3.47Å; L174-T176 PolarHBondContact O-N 3.28Å; L174-C179 HydrophobicContact CB-CB 4.45Å; L174-C179 VanDerWaalsContact CB-SG 3.6Å; L174-C179 VanDerWaalsContact CD1-SG 3.59Å
175N96.8Very high97.1Very high53 Ų5331.9 Ų31.928%0.28316%0.164SC..  trans51.529.3176-165.634.2000115.2C171 L208 R212C171-N175 PolarHBondContact O-N 2.94Å; N175-L208 WeakPolarHBondContact OD1-CD1 3.36Å; N175-R212 WeakPolarHBondContact OD1-CD 3.42Å
176T96.9Very high97.1Very high55 Ų5531.9 Ų31.934%0.33716%0.164SC..  trans-85.2159.3174.369.90000111.3L174 E178 C179 Y180L174-T176 PolarHBondContact O-N 3.28Å; T176-E178 PolarHBondContact O-N 3.28Å; T176-C179 PolarHBondContact O-N 3.2Å; T176-C179 WeakPolarHBondContact OG1-CB 3.15Å; T176-C179 PolarHBondContact OG1-N 2.99Å; T176-C179 VanDerWaalsContact OG1-N 3.14Å; T176-C179 PolarHBondContact OG1-SG 2.91Å; T176-Y180 PolarHBondContact O-N 2.95Å
177A96.6Very high97.1Very high54 Ų5431.9 Ų31.945%0.44616%0.164SC..Hα-helixtrans-61.4-33.417500000112.3R181A177-R181 WeakPolarHBondContact O-CG 3.37Å; A177-R181 PolarHBondContact O-N 3.43Å
178E96.4Very high96.9Very high87 Ų8734.8 Ų34.841%0.40718%0.179SC..Hα-helixtrans-63.6-50.3172.8-173.7-169.9150.400111.3R150 T176 Y180 R181 I182R150-E178 IonicContact NH2-OE1 2.81Å; R150-E178 PolarHBondContact NH2-OE1 2.83Å; T176-E178 PolarHBondContact O-N 3.28Å; E178-Y180 PolarHBondContact O-N 3.07Å; E178-R181 PolarHBondContact O-N 2.87Å; E178-R181 VanDerWaalsContact O-N 3.12Å; E178-I182 HydrophobicContact CG-CD1 3.86Å; E178-I182 HydrophobicContact CG-CG1 4.46Å; E178-I182 WeakPolarHBondContact O-CG1 3.29Å; E178-I182 PolarHBondContact O-N 2.89Å
179C96.8Very high96.7Very high3 Ų338.1 Ų38.12%0.0219%0.194CC..Hα-helixtrans-59.8-35.3178.2-780000112.7C171 L174 T176 S183C171-C179 HydrophobicContact CB-CB 3.71Å; C171-C179 PolarHBondContact SG-O 2.99Å; L174-C179 HydrophobicContact CB-CB 4.45Å; L174-C179 VanDerWaalsContact CB-SG 3.6Å; L174-C179 VanDerWaalsContact CD1-SG 3.59Å; T176-C179 PolarHBondContact O-N 3.2Å; T176-C179 WeakPolarHBondContact OG1-CB 3.15Å; T176-C179 PolarHBondContact OG1-N 2.99Å; T176-C179 VanDerWaalsContact OG1-N 3.14Å; T176-C179 PolarHBondContact OG1-SG 2.91Å; C179-S183 WeakPolarHBondContact O-CB 3.36Å; C179-S183 PolarHBondContact O-N 2.96Å; C179-S183 PolarHBondContact O-OG 3.48Å
180Y97.7Very high96.4Very high33 Ų3338.8 Ų38.813%0.12920%0.198CC..Hα-helixtrans-60.8-53172.6-176.6-121.1000111.5T176 E178 I182 S183 M184 L208 A209 R212 D214 K217T176-Y180 PolarHBondContact O-N 2.95Å; E178-Y180 PolarHBondContact O-N 3.07Å; Y180-I182 VanDerWaalsContact C-N 3.34Å; Y180-I182 PolarHBondContact O-N 3.23Å; Y180-S183 PolarHBondContact O-N 3.35Å; Y180-M184 HydrophobicContact CD2-CE 4.29Å; Y180-M184 HydrophobicContact CD2-CG 4.21Å; Y180-M184 HydrophobicContact CE1-CG 4.31Å; Y180-M184 HydrophobicContact CE2-CE 3.95Å; Y180-M184 HydrophobicContact CE2-CG 3.86Å; Y180-M184 HydrophobicContact CE2-SD 3.84Å; Y180-M184 WeakPolarHBondContact O-CG 3.4Å; Y180-M184 PolarHBondContact O-N 2.71Å; Y180-L208 HydrophobicContact CD2-CD2 4.2Å; Y180-L208 HydrophobicContact CD2-CG 3.93Å; Y180-A209 HydrophobicContact CE2-CB 4.03Å; Y180-R212 HydrophobicContact CD2-CG 3.99Å; Y180-R212 HydrophobicContact CG-CG 4.02Å; Y180-D214 WeakPolarHBondContact OH-CB 3.48Å; Y180-D214 PolarHBondContact OH-OD2 3.15Å; Y180-K217 WeakPolarHBondContact OH-CG 3.38Å
181R97.6Very high96Very high176 Ų17641.8 Ų41.866%0.66421%0.212SC*.Hα-helixtrans-59.2-43.9178.1-68.9-173.9-60.7-161.12.1112.3A177 E178 S183 M184 S185A177-R181 WeakPolarHBondContact O-CG 3.37Å; A177-R181 PolarHBondContact O-N 3.43Å; E178-R181 PolarHBondContact O-N 2.87Å; E178-R181 VanDerWaalsContact O-N 3.12Å; R181-S183 PolarHBondContact O-N 2.94Å; R181-M184 PolarHBondContact O-N 3.4Å; R181-S185 WeakPolarHBondContact O-CB 3.26Å; R181-S185 PolarHBondContact O-N 3.2Å
182I96.8Very high95.7Very high53 Ų5347.7 Ų47.727%0.27225%0.248SC..Hα-helixtrans-58.8-48.2176.4-69.1169.6000110.3E178 Y180 M184 S185 L186E178-I182 HydrophobicContact CG-CD1 3.86Å; E178-I182 HydrophobicContact CG-CG1 4.46Å; E178-I182 WeakPolarHBondContact O-CG1 3.29Å; E178-I182 PolarHBondContact O-N 2.89Å; Y180-I182 VanDerWaalsContact C-N 3.34Å; Y180-I182 PolarHBondContact O-N 3.23Å; I182-M184 PolarHBondContact O-N 2.82Å; I182-S185 PolarHBondContact O-N 3.3Å; I182-L186 HydrophobicContact CG2-CD1 3.94Å; I182-L186 HydrophobicContact CG2-CG 4.38Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.38Å; I182-L186 PolarHBondContact O-N 3.48Å
183S97.2Very high95.4Very high0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-61.7-43.1-179.4-640000112.5C171 C179 Y180 R181 L186 I187 L208C171-S183 WeakPolarHBondContact CB-OG 3.45Å; C171-S183 PolarHBondContact SG-OG 3.19Å; C171-S183 VanDerWaalsContact SG-OG 3.33Å; C179-S183 WeakPolarHBondContact O-CB 3.36Å; C179-S183 PolarHBondContact O-N 2.96Å; C179-S183 PolarHBondContact O-OG 3.48Å; Y180-S183 PolarHBondContact O-N 3.35Å; R181-S183 PolarHBondContact O-N 2.94Å; S183-L186 PolarHBondContact O-N 3.15Å; S183-I187 WeakPolarHBondContact O-CG1 3.37Å; S183-I187 PolarHBondContact O-N 3.04Å; S183-I187 VanDerWaalsContact O-N 3.16Å; S183-L208 WeakPolarHBondContact OG-CD2 3.49Å
184M96.9Very high94.8Very high15 Ų1556.2 Ų56.27%0.07430%0.3CS..Hα-helixtrans-66.2-45178.6-61.7-55.195.600111.1Y180 R181 I182 L186 I187 D188 A205 K217 I221Y180-M184 HydrophobicContact CD2-CE 4.29Å; Y180-M184 HydrophobicContact CD2-CG 4.21Å; Y180-M184 HydrophobicContact CE1-CG 4.31Å; Y180-M184 HydrophobicContact CE2-CE 3.95Å; Y180-M184 HydrophobicContact CE2-CG 3.86Å; Y180-M184 HydrophobicContact CE2-SD 3.84Å; Y180-M184 WeakPolarHBondContact O-CG 3.4Å; Y180-M184 PolarHBondContact O-N 2.71Å; R181-M184 PolarHBondContact O-N 3.4Å; I182-M184 PolarHBondContact O-N 2.82Å; M184-L186 VanDerWaalsContact C-N 3.31Å; M184-L186 PolarHBondContact O-N 3.13Å; M184-I187 PolarHBondContact O-N 3.13Å; M184-I187 VanDerWaalsContact O-N 3.16Å; M184-D188 VanDerWaalsContact O-CG 3.25Å; M184-D188 PolarHBondContact O-N 3.32Å; M184-A205 HydrophobicContact CE-CB 4.13Å; M184-K217 HydrophobicContact SD-CD 4.19Å; M184-K217 WeakPolarHBondContact SD-CE 3.47Å; M184-K217 HydrophobicContact SD-CG 3.69Å; M184-I221 HydrophobicContact CE-CD1 3.86Å; M184-I221 HydrophobicContact SD-CD1 3.61Å
185S96.5Very high94.3Very high56 Ų5658.5 Ų58.539%0.39231%0.31SS..Hα-helixtrans-57.1-43.5175.5-167.40000111.9R181 I182 I187 D188 E189R181-S185 WeakPolarHBondContact O-CB 3.26Å; R181-S185 PolarHBondContact O-N 3.2Å; I182-S185 PolarHBondContact O-N 3.3Å; S185-I187 PolarHBondContact O-N 3.09Å; S185-D188 PolarHBondContact O-N 3.14Å; S185-E189 VanDerWaalsContact O-CB 3.25Å; S185-E189 WeakPolarHBondContact O-CB 3.5Å; S185-E189 WeakPolarHBondContact O-CG 3.43Å; S185-E189 PolarHBondContact O-N 3.03Å; S185-E189 PolarHBondContact OG-OE1 3.32Å
186L95.9Very high93.8Very high9 Ų962.9 Ų62.95%0.04733%0.327CS..Hα-helixtrans-64.2-38.6178.5-72.9173.2000112.6F159 L164 A167 I182 S183 M184 E190F159-L186 HydrophobicContact CD2-CD2 4.09Å; F159-L186 HydrophobicContact CE2-CD1 4.34Å; F159-L186 HydrophobicContact CE2-CD2 3.96Å; L164-L186 HydrophobicContact CD1-CB 3.85Å; A167-L186 HydrophobicContact CB-CD1 3.81Å; I182-L186 HydrophobicContact CG2-CD1 3.94Å; I182-L186 HydrophobicContact CG2-CG 4.38Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.38Å; I182-L186 PolarHBondContact O-N 3.48Å; S183-L186 PolarHBondContact O-N 3.15Å; M184-L186 VanDerWaalsContact C-N 3.31Å; M184-L186 PolarHBondContact O-N 3.13Å; L186-E190 VanDerWaalsContact O-CG 3.29Å; L186-E190 WeakPolarHBondContact O-CG 3.45Å; L186-E190 PolarHBondContact O-N 3.36Å
187I95.4Very high93.6Very high1 Ų160.6 Ų60.61%0.00531%0.313CS..Hα-helixtrans-66.1-48.4175-69.2-66.4000110.4I168 S183 M184 S185 E189 E190 Q191 I197 Y202 A205I168-I187 HydrophobicContact CD1-CD1 3.49Å; I168-I187 VanDerWaalsContact CD1-CD1 3.49Å; I168-I187 HydrophobicContact CD1-CG1 3.93Å; S183-I187 WeakPolarHBondContact O-CG1 3.37Å; S183-I187 PolarHBondContact O-N 3.04Å; S183-I187 VanDerWaalsContact O-N 3.16Å; M184-I187 PolarHBondContact O-N 3.13Å; M184-I187 VanDerWaalsContact O-N 3.16Å; S185-I187 PolarHBondContact O-N 3.09Å; I187-E189 PolarHBondContact O-N 3.15Å; I187-E190 PolarHBondContact O-N 2.9Å; I187-Q191 HydrophobicContact CG2-CG 4.46Å; I187-Q191 VanDerWaalsContact O-CG 3.27Å; I187-Q191 WeakPolarHBondContact O-CG 3.34Å; I187-Q191 PolarHBondContact O-N 3.29Å; I187-I197 HydrophobicContact CD1-CD1 3.89Å; I187-I197 HydrophobicContact CD1-CG2 3.88Å; I187-I197 HydrophobicContact CG2-CD1 4.18Å; I187-Y202 HydrophobicContact CD1-CD1 4.14Å; I187-Y202 HydrophobicContact CD1-CE1 4.19Å; I187-Y202 HydrophobicContact CG2-CE1 4.14Å; I187-A205 HydrophobicContact CD1-CB 4.5Å; I187-A205 HydrophobicContact CG1-CB 4.27Å
188D94Very high93.3Very high63 Ų6359.1 Ų59.134%0.33730%0.298SS..Hα-helixtrans-65.4-39.1-177.6-60.9-21.6000111.2M184 S185 Q191 T192 K217M184-D188 VanDerWaalsContact O-CG 3.25Å; M184-D188 PolarHBondContact O-N 3.32Å; S185-D188 PolarHBondContact O-N 3.14Å; D188-Q191 PolarHBondContact O-N 3.26Å; D188-T192 WeakPolarHBondContact O-CG2 3.44Å; D188-T192 PolarHBondContact O-N 3.34Å; D188-T192 PolarHBondContact O-OG1 3.13Å; D188-K217 IonicContact OD1-NZ 3.76Å; D188-K217 PolarHBondContact OD1-NZ 3.05Å; D188-K217 IonicContact OD2-NZ 3.81Å
189E93.2Very high93.1Very high71 Ų7161 Ų6133%0.33230%0.302SS..Hα-helixtrans-58.9-45.9173.1-79.2169.6-139.100111.9K153 S185 I187 T192 R193K153-E189 IonicContact NZ-OE1 2.63Å; K153-E189 IonicContact NZ-OE2 3.3Å; S185-E189 VanDerWaalsContact O-CB 3.25Å; S185-E189 WeakPolarHBondContact O-CB 3.5Å; S185-E189 WeakPolarHBondContact O-CG 3.43Å; S185-E189 PolarHBondContact O-N 3.03Å; S185-E189 PolarHBondContact OG-OE1 3.32Å; I187-E189 PolarHBondContact O-N 3.15Å; E189-T192 PolarHBondContact O-OG1 3.33Å; E189-R193 WeakPolarHBondContact O-CD 3.3Å; E189-R193 WeakPolarHBondContact O-CG 3.32Å; E189-R193 PolarHBondContact O-N 3.22Å
190E92Very high92.9Very high14 Ų1462.3 Ų62.37%0.06531%0.307CS..Hα-helixtrans-73.1-31.5-178.5-69.4-62.5127.100112.2L164 L186 I187 R193 G194 Q195 I197L164-E190 HydrophobicContact CD1-CG 4.13Å; L164-E190 HydrophobicContact CD2-CB 4.42Å; L164-E190 HydrophobicContact CD2-CG 4.02Å; L186-E190 VanDerWaalsContact O-CG 3.29Å; L186-E190 WeakPolarHBondContact O-CG 3.45Å; L186-E190 PolarHBondContact O-N 3.36Å; I187-E190 PolarHBondContact O-N 2.9Å; E190-R193 PolarHBondContact O-N 3Å; E190-R193 IonicContact OE1-NH1 3.76Å; E190-R193 PolarHBondContact OE1-NH1 3.01Å; E190-G194 PolarHBondContact O-N 2.94Å; E190-Q195 PolarHBondContact O-N 3.32Å; E190-Q195 WeakPolarHBondContact OE2-CB 3.49Å; E190-Q195 VanDerWaalsContact OE2-CD 3.24Å; E190-Q195 PolarHBondContact OE2-OE1 3.1Å; E190-I197 HydrophobicContact CB-CD1 3.8Å; E190-I197 HydrophobicContact CB-CG1 3.92Å
191Q90.2Very high92.7Very high63 Ų6360.8 Ų60.829%0.29430%0.301SS..Hα-helixtrans-68-46.3174.1-74.6178.6-16.200112.9I187 D188 R193 G194 I197 Y202I187-Q191 HydrophobicContact CG2-CG 4.46Å; I187-Q191 VanDerWaalsContact O-CG 3.27Å; I187-Q191 WeakPolarHBondContact O-CG 3.34Å; I187-Q191 PolarHBondContact O-N 3.29Å; D188-Q191 PolarHBondContact O-N 3.26Å; Q191-R193 PolarHBondContact O-N 3.01Å; Q191-G194 PolarHBondContact O-N 3.32Å; Q191-I197 HydrophobicContact CG-CD1 3.86Å; Q191-Y202 PolarHBondContact NE2-OH 3.09Å; Q191-Y202 VanDerWaalsContact NE2-OH 3.09Å
192T91.8Very high92.7Very high124 Ų12453.6 Ų53.676%0.76127%0.274SS*.Hα-helixtrans-62.1-29.9177.449.90000112.1D188 E189 G194D188-T192 WeakPolarHBondContact O-CG2 3.44Å; D188-T192 PolarHBondContact O-N 3.34Å; D188-T192 PolarHBondContact O-OG1 3.13Å; E189-T192 PolarHBondContact O-OG1 3.33Å; T192-G194 VanDerWaalsContact C-N 3.29Å
193R90.4Very high92.6Very high150 Ų15051.1 Ų51.157%0.56626%0.262SS*.THydrogen-bonded Turntrans-81.5-3.8173.9-64.9172.274.4-162.57.7113.9E189 E190 Q191 Q195E189-R193 WeakPolarHBondContact O-CD 3.3Å; E189-R193 WeakPolarHBondContact O-CG 3.32Å; E189-R193 PolarHBondContact O-N 3.22Å; E190-R193 PolarHBondContact O-N 3Å; E190-R193 IonicContact OE1-NH1 3.76Å; E190-R193 PolarHBondContact OE1-NH1 3.01Å; Q191-R193 PolarHBondContact O-N 3.01Å; R193-Q195 HydrophobicContact CB-CG 3.93Å; R193-Q195 VanDerWaalsContact NH2-NE2 3.16Å; R193-Q195 PolarHBondContact O-N 3.01Å
194G85.1Confident92.6Very high69 Ų6951.1 Ų51.171%0.71126%0.262SS*.THydrogen-bonded Turntrans64.724.1-176.500000113.7E190 Q191 T192E190-G194 PolarHBondContact O-N 2.94Å; Q191-G194 PolarHBondContact O-N 3.32Å; T192-G194 VanDerWaalsContact C-N 3.29Å
195Q85.8Confident92.7Very high80 Ų8050.4 Ų50.437%0.37426%0.258SS..  trans-83.6149.7-178.4-63.9-157.617.800111.9E190 R193 I197E190-Q195 PolarHBondContact O-N 3.32Å; E190-Q195 WeakPolarHBondContact OE2-CB 3.49Å; E190-Q195 VanDerWaalsContact OE2-CD 3.24Å; E190-Q195 PolarHBondContact OE2-OE1 3.1Å; R193-Q195 HydrophobicContact CB-CG 3.93Å; R193-Q195 VanDerWaalsContact NH2-NE2 3.16Å; R193-Q195 PolarHBondContact O-N 3.01Å; Q195-I197 PolarHBondContact O-N 3.06Å
196F87.1Confident92.8Very high144 Ų14447.8 Ų47.863%0.63224%0.24SC*.  trans-73114.9178.4177.7-97.6000111.1T198F196-T198 HydrophobicContact CE1-CG2 4.25Å
197I91.9Very high92.8Very high8 Ų847.6 Ų47.64%0.04124%0.239CC..  trans-92.1130.8171.4-57.6-179.2000109L164 I187 E190 Q191 Q195 A201 Y202L164-I197 HydrophobicContact CD2-CB 4.32Å; L164-I197 HydrophobicContact CD2-CD1 4.49Å; L164-I197 HydrophobicContact CD2-CG1 3.94Å; L164-I197 HydrophobicContact CD2-CG2 3.94Å; I187-I197 HydrophobicContact CD1-CD1 3.89Å; I187-I197 HydrophobicContact CD1-CG2 3.88Å; I187-I197 HydrophobicContact CG2-CD1 4.18Å; E190-I197 HydrophobicContact CB-CD1 3.8Å; E190-I197 HydrophobicContact CB-CG1 3.92Å; Q191-I197 HydrophobicContact CG-CD1 3.86Å; Q195-I197 PolarHBondContact O-N 3.06Å; I197-A201 HydrophobicContact CG2-CB 3.82Å; I197-Y202 HydrophobicContact CB-CD2 4.29Å; I197-Y202 HydrophobicContact CB-CE1 4.24Å; I197-Y202 HydrophobicContact CB-CE2 3.69Å; I197-Y202 HydrophobicContact CD1-CE1 4.04Å; I197-Y202 HydrophobicContact CG2-CD1 3.98Å; I197-Y202 HydrophobicContact CG2-CD2 3.87Å; I197-Y202 HydrophobicContact CG2-CE1 3.87Å; I197-Y202 HydrophobicContact CG2-CE2 3.74Å; I197-Y202 HydrophobicContact CG2-CG 4.01Å
198T91.2Very high92.9Very high23 Ų2347.5 Ų47.514%0.14124%0.239CC..  trans-68.5147.8179.975.80000110.7K161 T165 F196 H200 A201 Y202K161-T198 HydrophobicContact CB-CG2 3.88Å; K161-T198 HydrophobicContact CD-CG2 4.5Å; K161-T198 HydrophobicContact CG-CG2 4.45Å; T165-T198 PolarHBondContact OG1-OG1 3.41Å; F196-T198 HydrophobicContact CE1-CG2 4.25Å; T198-H200 PolarHBondContact O-N 2.91Å; T198-H200 VanDerWaalsContact O-N 3.13Å; T198-A201 WeakPolarHBondContact O-CB 3.45Å; T198-A201 PolarHBondContact O-N 3.18Å; T198-A201 VanDerWaalsContact O-N 3.13Å; T198-A201 WeakPolarHBondContact OG1-CB 3.47Å; T198-A201 PolarHBondContact OG1-N 3.12Å; T198-Y202 PolarHBondContact O-N 3.3Å; T198-Y202 VanDerWaalsContact O-N 3.13Å
199R92.2Very high93.1Very high127 Ų12744.5 Ų44.548%0.47922%0.223SC..Hα-helixtrans-52-36.9170.5-179.2-17871.5-142.7-3.9111.8Y202 C203 I225R199-Y202 PolarHBondContact O-N 3.35Å; R199-C203 WeakPolarHBondContact O-CB 3.44Å; R199-C203 PolarHBondContact O-N 3.35Å; R199-C203 PolarHBondContact O-SG 3.47Å; R199-I225 HydrophobicContact CG-CG2 3.84Å
200H91.8Very high93.3Very high30 Ų3041.8 Ų41.814%0.13921%0.211CC..Hα-helixtrans-66.9-42.4-178.1-156.2173.5000111.9T165 T198 C203 F204 L315T165-H200 HydrophobicContact CG2-CB 4.14Å; T198-H200 PolarHBondContact O-N 2.91Å; T198-H200 VanDerWaalsContact O-N 3.13Å; H200-C203 PolarHBondContact O-N 3.22Å; H200-F204 AromaticContact CD2-CD2 3.68Å; H200-F204 AromaticContact CD2-CE2 3.41Å; H200-F204 VanDerWaalsContact CD2-CE2 3.41Å; H200-F204 WeakPolarHBondContact CD2-CE2 3.4Å; H200-F204 AromaticContact CE1-CE2 3.97Å; H200-F204 AromaticContact NE2-CE2 3.24Å; H200-F204 WeakPolarHBondContact NE2-CE2 3.45Å; H200-F204 AromaticContact NE2-CZ 3.85Å; H200-F204 VanDerWaalsContact O-CD2 3.31Å; H200-F204 WeakPolarHBondContact O-CD2 3.3Å; H200-F204 PolarHBondContact O-N 3.09Å; H200-L315 PolarHBondContact CE1-O 3.42Å; H200-L315 PolarHBondContact NE2-O 3.19Å
201A94.5Very high93.4Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-58.9-47172.500000111.6I168 I197 T198 C203 F204 A205I168-A201 HydrophobicContact CD1-CB 3.99Å; I197-A201 HydrophobicContact CG2-CB 3.82Å; T198-A201 WeakPolarHBondContact O-CB 3.45Å; T198-A201 PolarHBondContact O-N 3.18Å; T198-A201 VanDerWaalsContact O-N 3.13Å; T198-A201 WeakPolarHBondContact OG1-CB 3.47Å; T198-A201 PolarHBondContact OG1-N 3.12Å; A201-C203 PolarHBondContact O-N 2.87Å; A201-F204 PolarHBondContact O-N 3.43Å; A201-A205 PolarHBondContact O-N 2.99Å
202Y96.4Very high93.7Very high26 Ų2648.3 Ų48.310%0.10223%0.232CC..Hα-helixtrans-60.3-44174.5-76.7-50.3000112.6I187 Q191 I197 T198 R199 F204 A205 V206 I221 Q224 I225I187-Y202 HydrophobicContact CD1-CD1 4.14Å; I187-Y202 HydrophobicContact CD1-CE1 4.19Å; I187-Y202 HydrophobicContact CG2-CE1 4.14Å; Q191-Y202 PolarHBondContact NE2-OH 3.09Å; Q191-Y202 VanDerWaalsContact NE2-OH 3.09Å; I197-Y202 HydrophobicContact CB-CD2 4.29Å; I197-Y202 HydrophobicContact CB-CE1 4.24Å; I197-Y202 HydrophobicContact CB-CE2 3.69Å; I197-Y202 HydrophobicContact CD1-CE1 4.04Å; I197-Y202 HydrophobicContact CG2-CD1 3.98Å; I197-Y202 HydrophobicContact CG2-CD2 3.87Å; I197-Y202 HydrophobicContact CG2-CE1 3.87Å; I197-Y202 HydrophobicContact CG2-CE2 3.74Å; I197-Y202 HydrophobicContact CG2-CG 4.01Å; T198-Y202 PolarHBondContact O-N 3.3Å; T198-Y202 VanDerWaalsContact O-N 3.13Å; R199-Y202 PolarHBondContact O-N 3.35Å; Y202-F204 VanDerWaalsContact C-N 3.33Å; Y202-F204 PolarHBondContact O-N 2.93Å; Y202-A205 PolarHBondContact O-N 3.26Å; Y202-A205 VanDerWaalsContact O-N 3.13Å; Y202-V206 WeakPolarHBondContact O-CG2 3.3Å; Y202-V206 PolarHBondContact O-N 2.84Å; Y202-I221 HydrophobicContact CD1-CG2 3.58Å; Y202-I221 HydrophobicContact CE1-CG2 4.3Å; Y202-I221 HydrophobicContact CG-CG2 4.38Å; Y202-Q224 HydrophobicContact CE1-CB 4.27Å; Y202-I225 HydrophobicContact CD2-CG1 4.17Å; Y202-I225 HydrophobicContact CG-CG1 4.12Å
203C96Very high93.8Very high1 Ų148.1 Ų48.11%0.00723%0.226CC..Hα-helixtrans-59-41.5176.5-75.80000112.5R199 H200 A201 A207 L232 F236 L315R199-C203 WeakPolarHBondContact O-CB 3.44Å; R199-C203 PolarHBondContact O-N 3.35Å; R199-C203 PolarHBondContact O-SG 3.47Å; H200-C203 PolarHBondContact O-N 3.22Å; A201-C203 PolarHBondContact O-N 2.87Å; C203-A207 WeakPolarHBondContact O-CB 3.45Å; C203-A207 PolarHBondContact O-N 2.82Å; C203-L232 HydrophobicContact CB-CD2 3.82Å; C203-L232 HydrophobicContact CB-CG 4.4Å; C203-F236 HydrophobicContact CB-CD2 4.36Å; C203-F236 HydrophobicContact CB-CE2 3.85Å; C203-L315 HydrophobicContact CB-CD2 3.86Å
204F97.3Very high94.1Very high0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-64.9-41.2173.6-83.3-67.9000112.3L5 T165 I168 A169 Y172 H200 A201 Y202 A207 L208 L315L5-F204 HydrophobicContact CD1-CZ 4.4Å; L5-F204 HydrophobicContact CD2-CE2 3.92Å; L5-F204 HydrophobicContact CD2-CZ 3.69Å; T165-F204 HydrophobicContact CG2-CD2 4.42Å; T165-F204 HydrophobicContact CG2-CE2 4.48Å; I168-F204 HydrophobicContact CB-CB 4.41Å; I168-F204 HydrophobicContact CG2-CB 3.66Å; A169-F204 HydrophobicContact CB-CD1 3.92Å; A169-F204 HydrophobicContact CB-CD2 3.78Å; A169-F204 HydrophobicContact CB-CE1 3.75Å; A169-F204 HydrophobicContact CB-CE2 3.61Å; A169-F204 HydrophobicContact CB-CG 3.94Å; A169-F204 HydrophobicContact CB-CZ 3.61Å; Y172-F204 AromaticContact CD1-CD1 3.74Å; Y172-F204 HydrophobicContact CD1-CD1 3.74Å; Y172-F204 AromaticContact CD1-CE1 3.85Å; Y172-F204 HydrophobicContact CD1-CE1 3.85Å; Y172-F204 HydrophobicContact CE1-CD1 4.35Å; Y172-F204 HydrophobicContact CE1-CE1 4.27Å; Y172-F204 AromaticContact CG-CD1 3.9Å; Y172-F204 HydrophobicContact CG-CD1 3.9Å; Y172-F204 HydrophobicContact CG-CE1 4.47Å; H200-F204 AromaticContact CD2-CD2 3.68Å; H200-F204 AromaticContact CD2-CE2 3.41Å; H200-F204 VanDerWaalsContact CD2-CE2 3.41Å; H200-F204 WeakPolarHBondContact CD2-CE2 3.4Å; H200-F204 AromaticContact CE1-CE2 3.97Å; H200-F204 AromaticContact NE2-CE2 3.24Å; H200-F204 WeakPolarHBondContact NE2-CE2 3.45Å; H200-F204 AromaticContact NE2-CZ 3.85Å; H200-F204 VanDerWaalsContact O-CD2 3.31Å; H200-F204 WeakPolarHBondContact O-CD2 3.3Å; H200-F204 PolarHBondContact O-N 3.09Å; A201-F204 PolarHBondContact O-N 3.43Å; Y202-F204 VanDerWaalsContact C-N 3.33Å; Y202-F204 PolarHBondContact O-N 2.93Å; F204-A207 PolarHBondContact O-N 3.03Å; F204-L208 WeakPolarHBondContact O-CB 2.92Å; F204-L208 PolarHBondContact O-N 3.25Å; F204-L315 HydrophobicContact CD1-CB 4.31Å; F204-L315 HydrophobicContact CD1-CD1 4.19Å; F204-L315 HydrophobicContact CD1-CD2 3.81Å; F204-L315 HydrophobicContact CD1-CG 4.36Å; F204-L315 HydrophobicContact CD2-CD2 4.34Å; F204-L315 HydrophobicContact CE1-CB 3.71Å; F204-L315 HydrophobicContact CE1-CD1 4.28Å; F204-L315 HydrophobicContact CE1-CD2 4.01Å; F204-L315 HydrophobicContact CE1-CG 4.24Å; F204-L315 HydrophobicContact CG-CD2 3.98Å; F204-L315 HydrophobicContact CZ-CB 3.98Å; F204-L315 HydrophobicContact CZ-CD2 4.35Å; F204-L315 VanDerWaalsContact CZ-O 3.26Å; F204-L315 WeakPolarHBondContact CZ-O 3.21Å
205A97.8Very high94.7Very high0 Ų041.3 Ų41.30%019%0.186CC..Hα-helixtrans-64.8-43.7178.900000111.9I168 M184 I187 A201 Y202 L208 A209 I221I168-A205 HydrophobicContact CG2-CB 3.92Å; M184-A205 HydrophobicContact CE-CB 4.13Å; I187-A205 HydrophobicContact CD1-CB 4.5Å; I187-A205 HydrophobicContact CG1-CB 4.27Å; A201-A205 PolarHBondContact O-N 2.99Å; Y202-A205 PolarHBondContact O-N 3.26Å; Y202-A205 VanDerWaalsContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 2.95Å; A205-A209 PolarHBondContact O-N 2.99Å; A205-I221 HydrophobicContact CB-CD1 4.13Å; A205-I221 HydrophobicContact CB-CG2 4.14Å
206V97.9Very high95.2Very high0 Ų045.6 Ų45.60%021%0.206CC..Hα-helixtrans-57.8-49.2172.3170.60000110.4Y202 L208 A209 L210 A218 I221 F236 I240Y202-V206 WeakPolarHBondContact O-CG2 3.3Å; Y202-V206 PolarHBondContact O-N 2.84Å; V206-L208 VanDerWaalsContact C-N 3.3Å; V206-L208 PolarHBondContact O-N 3.33Å; V206-A209 PolarHBondContact O-N 3.48Å; V206-L210 HydrophobicContact CG1-CD1 3.94Å; V206-L210 HydrophobicContact CG1-CG 4.4Å; V206-L210 WeakPolarHBondContact O-CG 3.4Å; V206-L210 PolarHBondContact O-N 3.39Å; V206-A218 HydrophobicContact CG1-CB 4.4Å; V206-I221 HydrophobicContact CG2-CB 3.95Å; V206-I221 HydrophobicContact CG2-CG2 3.71Å; V206-F236 HydrophobicContact CG1-CB 4.18Å; V206-F236 HydrophobicContact CG1-CD1 4.08Å; V206-F236 HydrophobicContact CG1-CG 4.04Å; V206-I240 HydrophobicContact CG1-CD1 3.99Å; V206-I240 HydrophobicContact CG1-CG1 4.49Å
207A97.3Very high95.6Very high5 Ų541.2 Ų41.24%0.04119%0.186CC..Hα-helixtrans-62.6-37.4-179.300000112.9Y172 C203 F204 R211 F236 L315Y172-A207 HydrophobicContact CD2-CB 3.88Å; Y172-A207 HydrophobicContact CE2-CB 3.42Å; Y172-A207 VanDerWaalsContact CE2-CB 3.42Å; C203-A207 WeakPolarHBondContact O-CB 3.45Å; C203-A207 PolarHBondContact O-N 2.82Å; F204-A207 PolarHBondContact O-N 3.03Å; A207-R211 WeakPolarHBondContact O-CG 3.45Å; A207-R211 PolarHBondContact O-N 2.93Å; A207-F236 HydrophobicContact CB-CE1 3.67Å; A207-F236 HydrophobicContact CB-CZ 3.59Å; A207-L315 HydrophobicContact CB-CD1 3.59Å
208L97.9Very high95.9Very high0 Ų040.8 Ų40.80%018%0.184CC..Hα-helixtrans-67.8-44.5175.2177.256.4000111.2C171 Y172 N175 Y180 S183 F204 A205 V206 L210 R211 R212C171-L208 HydrophobicContact CB-CD2 4.05Å; Y172-L208 HydrophobicContact CD2-CB 4.1Å; N175-L208 WeakPolarHBondContact OD1-CD1 3.36Å; Y180-L208 HydrophobicContact CD2-CD2 4.2Å; Y180-L208 HydrophobicContact CD2-CG 3.93Å; S183-L208 WeakPolarHBondContact OG-CD2 3.49Å; F204-L208 WeakPolarHBondContact O-CB 2.92Å; F204-L208 PolarHBondContact O-N 3.25Å; A205-L208 PolarHBondContact O-N 2.95Å; V206-L208 VanDerWaalsContact C-N 3.3Å; V206-L208 PolarHBondContact O-N 3.33Å; L208-L210 VanDerWaalsContact C-N 3.34Å; L208-L210 PolarHBondContact O-N 2.88Å; L208-R211 PolarHBondContact O-N 3.48Å; L208-R212 HydrophobicContact CD1-CG 4.22Å; L208-R212 WeakPolarHBondContact O-CG 3.37Å; L208-R212 PolarHBondContact O-N 3.45Å
209A97.9Very high96.2Very high0 Ų044.9 Ų44.90%020%0.201CC..Hα-helixtrans-59-44.4175.500000111.9Y180 A205 V206 R211 R212 N213 D214 A218Y180-A209 HydrophobicContact CE2-CB 4.03Å; A205-A209 PolarHBondContact O-N 2.99Å; V206-A209 PolarHBondContact O-N 3.48Å; A209-R211 PolarHBondContact O-N 3.4Å; A209-R212 CarbonylContact O-C 3.6Å; A209-R212 WeakPolarHBondContact O-CA 3.2Å; A209-R212 PolarHBondContact O-N 3.03Å; A209-R212 VanDerWaalsContact O-N 3.08Å; A209-N213 PolarHBondContact O-N 3Å; A209-N213 VanDerWaalsContact O-N 3.15Å; A209-D214 PolarHBondContact O-N 3.45Å; A209-A218 HydrophobicContact CB-CB 3.8Å
210L96.3Very high96.4Very high14 Ų1441.2 Ų41.27%0.07320%0.195CC..Hα-helixtrans-60.7-43.6174.5-66.8171.4000112.2V206 L208 R212 N213 A218 F236 M239 I240 M243V206-L210 HydrophobicContact CG1-CD1 3.94Å; V206-L210 HydrophobicContact CG1-CG 4.4Å; V206-L210 WeakPolarHBondContact O-CG 3.4Å; V206-L210 PolarHBondContact O-N 3.39Å; L208-L210 VanDerWaalsContact C-N 3.34Å; L208-L210 PolarHBondContact O-N 2.88Å; L210-R212 PolarHBondContact O-N 3.18Å; L210-N213 PolarHBondContact O-N 3.34Å; L210-A218 HydrophobicContact CD2-CB 3.62Å; L210-A218 HydrophobicContact CG-CB 3.77Å; L210-F236 HydrophobicContact CD1-CD1 3.87Å; L210-F236 HydrophobicContact CD1-CE1 4.39Å; L210-M239 HydrophobicContact CD1-CB 4.31Å; L210-M239 HydrophobicContact CD1-CG 3.92Å; L210-I240 HydrophobicContact CD1-CG1 4.2Å; L210-I240 HydrophobicContact CD2-CG1 3.93Å; L210-M243 HydrophobicContact CB-SD 4.05Å; L210-M243 HydrophobicContact CD2-SD 3.65Å; L210-M243 HydrophobicContact CG-SD 4.37Å; L210-M243 WeakPolarHBondContact O-CE 3.47Å
211R95Very high96.6Very high103 Ų10339.8 Ų39.839%0.38919%0.189SC..Hα-helixtrans-62.4-24.9174.8-79.5-174.8175176.1-0113.6Y172 A207 L208 A209 N213 D312Y172-R211 HydrophobicContact CE2-CG 4.41Å; Y172-R211 VanDerWaalsContact CZ-NH1 3.31Å; Y172-R211 PolarHBondContact O-NH1 2.6Å; Y172-R211 PolarHBondContact OH-NH2 3.01Å; A207-R211 WeakPolarHBondContact O-CG 3.45Å; A207-R211 PolarHBondContact O-N 2.93Å; L208-R211 PolarHBondContact O-N 3.48Å; A209-R211 PolarHBondContact O-N 3.4Å; R211-N213 VanDerWaalsContact C-N 3.33Å; R211-D312 IonicContact NH2-OD1 3Å; R211-D312 PolarHBondContact NH2-OD1 3.41Å; R211-D312 VanDerWaalsContact NH2-OD1 3.07Å
212R95.6Very high96.7Very high111 Ų11140.7 Ų40.742%0.41919%0.192SC..THydrogen-bonded Turntrans-913.5174.9-63.1-58-57.5162.15113.1N175 Y180 L208 A209 L210 D214N175-R212 WeakPolarHBondContact OD1-CD 3.42Å; Y180-R212 HydrophobicContact CD2-CG 3.99Å; Y180-R212 HydrophobicContact CG-CG 4.02Å; L208-R212 HydrophobicContact CD1-CG 4.22Å; L208-R212 WeakPolarHBondContact O-CG 3.37Å; L208-R212 PolarHBondContact O-N 3.45Å; A209-R212 CarbonylContact O-C 3.6Å; A209-R212 WeakPolarHBondContact O-CA 3.2Å; A209-R212 PolarHBondContact O-N 3.03Å; A209-R212 VanDerWaalsContact O-N 3.08Å; L210-R212 PolarHBondContact O-N 3.18Å; R212-D214 PolarHBondContact O-N 3.15Å
213N94.9Very high96.7Very high119 Ų11943.4 Ų43.464%0.63622%0.215SC*.THydrogen-bonded Turntrans59.325.2-175.6-158.955.2000113.9A209 L210 R211 V215 M243A209-N213 PolarHBondContact O-N 3Å; A209-N213 VanDerWaalsContact O-N 3.15Å; L210-N213 PolarHBondContact O-N 3.34Å; R211-N213 VanDerWaalsContact C-N 3.33Å; N213-V215 PolarHBondContact O-N 3.06Å; N213-M243 WeakPolarHBondContact OD1-CE 3.44Å
214D96.8Very high96.5Very high55 Ų5546.4 Ų46.429%0.29423%0.229SC..  trans-9577.2174.8-169.9-18.5000109.3Y180 A209 R212 E216 K217 A218Y180-D214 WeakPolarHBondContact OH-CB 3.48Å; Y180-D214 PolarHBondContact OH-OD2 3.15Å; A209-D214 PolarHBondContact O-N 3.45Å; R212-D214 PolarHBondContact O-N 3.15Å; D214-E216 VanDerWaalsContact C-N 3.33Å; D214-K217 HydrophobicContact CB-CB 4.37Å; D214-K217 VanDerWaalsContact CG-CB 3.4Å; D214-K217 WeakPolarHBondContact OD1-CB 3.47Å; D214-K217 PolarHBondContact OD1-N 3.5Å; D214-K217 WeakPolarHBondContact OD2-CB 3.26Å; D214-A218 WeakPolarHBondContact O-CB 3.48Å; D214-A218 PolarHBondContact O-N 3.39Å
215V96.4Very high96.4Very high22 Ų2247 Ų4713%0.13323%0.232CC..Hα-helixtrans-69.3-33.5-173.4-172.50000111.5N213 A218 H219 I240 M243 S244N213-V215 PolarHBondContact O-N 3.06Å; V215-A218 PolarHBondContact O-N 3.4Å; V215-H219 WeakPolarHBondContact O-CB 3.28Å; V215-H219 PolarHBondContact O-N 3.28Å; V215-I240 HydrophobicContact CG1-CG2 4.36Å; V215-M243 HydrophobicContact CG1-CB 4.26Å; V215-M243 HydrophobicContact CG2-CB 3.78Å; V215-M243 HydrophobicContact CG2-CE 4.29Å; V215-S244 WeakPolarHBondContact CG1-OG 3.43Å
216E96.4Very high95.9Very high170 Ų17055.6 Ų55.679%0.79428%0.275SS*.Hα-helixtrans-64.9-48.6177.2-65.6-172.3173.100111.3D214 A218 H219 S220D214-E216 VanDerWaalsContact C-N 3.33Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 2.91Å; E216-H219 PolarHBondContact O-N 3.26Å; E216-S220 WeakPolarHBondContact O-CB 3.39Å; E216-S220 PolarHBondContact O-N 2.97Å
217K96.9Very high95.4Very high51 Ų5158 Ų5822%0.22229%0.292CS..Hα-helixtrans-66-38.2175.9-169.268.7174.5-176.70111Y180 M184 D188 D214 H219 S220 I221Y180-K217 WeakPolarHBondContact OH-CG 3.38Å; M184-K217 HydrophobicContact SD-CD 4.19Å; M184-K217 WeakPolarHBondContact SD-CE 3.47Å; M184-K217 HydrophobicContact SD-CG 3.69Å; D188-K217 IonicContact OD1-NZ 3.76Å; D188-K217 PolarHBondContact OD1-NZ 3.05Å; D188-K217 IonicContact OD2-NZ 3.81Å; D214-K217 HydrophobicContact CB-CB 4.37Å; D214-K217 VanDerWaalsContact CG-CB 3.4Å; D214-K217 WeakPolarHBondContact OD1-CB 3.47Å; D214-K217 PolarHBondContact OD1-N 3.5Å; D214-K217 WeakPolarHBondContact OD2-CB 3.26Å; K217-H219 VanDerWaalsContact C-N 3.34Å; K217-H219 PolarHBondContact O-N 3.15Å; K217-S220 PolarHBondContact O-N 3.26Å; K217-I221 HydrophobicContact CD-CD1 4.38Å; K217-I221 HydrophobicContact CD-CG1 4.47Å; K217-I221 HydrophobicContact CG-CD1 3.89Å; K217-I221 HydrophobicContact CG-CG1 4.36Å; K217-I221 VanDerWaalsContact O-CG1 3.28Å; K217-I221 WeakPolarHBondContact O-CG1 3.43Å; K217-I221 PolarHBondContact O-N 2.88Å
218A97.5Very high95Very high0 Ų059.7 Ų59.70%030%0.301CS..Hα-helixtrans-57.6-45.8174.100000112V206 A209 L210 D214 V215 E216 Y222 I240V206-A218 HydrophobicContact CG1-CB 4.4Å; A209-A218 HydrophobicContact CB-CB 3.8Å; L210-A218 HydrophobicContact CD2-CB 3.62Å; L210-A218 HydrophobicContact CG-CB 3.77Å; D214-A218 WeakPolarHBondContact O-CB 3.48Å; D214-A218 PolarHBondContact O-N 3.39Å; V215-A218 PolarHBondContact O-N 3.4Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 2.91Å; A218-Y222 VanDerWaalsContact O-CB 3.23Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 2.98Å; A218-I240 HydrophobicContact CB-CG1 4.38Å
219H96.6Very high94.2Very high108 Ų10866 Ų6650%0.534%0.335SS..Hα-helixtrans-65.6-43.2176.4-175.1-87.5000112.1V215 E216 K217 I221 Y222 S223 I240V215-H219 WeakPolarHBondContact O-CB 3.28Å; V215-H219 PolarHBondContact O-N 3.28Å; E216-H219 PolarHBondContact O-N 3.26Å; K217-H219 VanDerWaalsContact C-N 3.34Å; K217-H219 PolarHBondContact O-N 3.15Å; H219-I221 PolarHBondContact O-N 3.3Å; H219-Y222 PolarHBondContact O-N 3.36Å; H219-S223 PolarHBondContact O-N 3.49Å; H219-I240 HydrophobicContact CB-CG2 4.01Å
220S96.9Very high93.7Very high50 Ų5067.2 Ų67.235%0.3534%0.344SS..Hα-helixtrans-58.6-44.3176.9179.30000112.4E216 K217 S223 Q224E216-S220 WeakPolarHBondContact O-CB 3.39Å; E216-S220 PolarHBondContact O-N 2.97Å; K217-S220 PolarHBondContact O-N 3.26Å; S220-S223 PolarHBondContact O-OG 3.3Å; S220-Q224 WeakPolarHBondContact O-CG 3.47Å
221I96.6Very high93.3Very high1 Ų169.1 Ų69.11%0.00535%0.351CS..Hα-helixtrans-70.6-41176.9-63.7168.3000110.5M184 Y202 A205 V206 K217 H219 S223 Q224M184-I221 HydrophobicContact CE-CD1 3.86Å; M184-I221 HydrophobicContact SD-CD1 3.61Å; Y202-I221 HydrophobicContact CD1-CG2 3.58Å; Y202-I221 HydrophobicContact CE1-CG2 4.3Å; Y202-I221 HydrophobicContact CG-CG2 4.38Å; A205-I221 HydrophobicContact CB-CD1 4.13Å; A205-I221 HydrophobicContact CB-CG2 4.14Å; V206-I221 HydrophobicContact CG2-CB 3.95Å; V206-I221 HydrophobicContact CG2-CG2 3.71Å; K217-I221 HydrophobicContact CD-CD1 4.38Å; K217-I221 HydrophobicContact CD-CG1 4.47Å; K217-I221 HydrophobicContact CG-CD1 3.89Å; K217-I221 HydrophobicContact CG-CG1 4.36Å; K217-I221 VanDerWaalsContact O-CG1 3.28Å; K217-I221 WeakPolarHBondContact O-CG1 3.43Å; K217-I221 PolarHBondContact O-N 2.88Å; H219-I221 PolarHBondContact O-N 3.3Å; I221-S223 VanDerWaalsContact C-N 3.3Å; I221-S223 PolarHBondContact O-N 3.33Å; I221-Q224 WeakPolarHBondContact O-CB 3.36Å; I221-Q224 PolarHBondContact O-N 2.84Å; I221-Q224 VanDerWaalsContact O-N 3.15Å
222Y96.8Very high93.1Very high18 Ų1865.3 Ų65.37%0.07134%0.338CS..Hα-helixtrans-60.9-38.6-179.3-176.3-87.9000112.4A218 H219 Q224 I225 T228 C233 F236 K237 I240A218-Y222 VanDerWaalsContact O-CB 3.23Å; A218-Y222 WeakPolarHBondContact O-CB 3.4Å; A218-Y222 PolarHBondContact O-N 2.98Å; H219-Y222 PolarHBondContact O-N 3.36Å; Y222-Q224 PolarHBondContact O-N 3.39Å; Y222-I225 HydrophobicContact CD2-CD1 4.02Å; Y222-I225 HydrophobicContact CE2-CD1 4.39Å; Y222-I225 WeakPolarHBondContact O-CB 3.45Å; Y222-I225 WeakPolarHBondContact O-CG1 3.49Å; Y222-I225 PolarHBondContact O-N 2.67Å; Y222-I225 VanDerWaalsContact O-N 3.11Å; Y222-T228 HydrophobicContact CE1-CG2 3.88Å; Y222-T228 HydrophobicContact CE2-CG2 4.5Å; Y222-T228 VanDerWaalsContact OH-CB 3.29Å; Y222-T228 WeakPolarHBondContact OH-CB 3.35Å; Y222-T228 WeakPolarHBondContact OH-CG2 3.45Å; Y222-C233 HydrophobicContact CE2-CB 4.22Å; Y222-C233 WeakPolarHBondContact CE2-O 3.27Å; Y222-C233 PolarHBondContact OH-O 3.06Å; Y222-C233 VanDerWaalsContact OH-O 3.1Å; Y222-F236 HydrophobicContact CD2-CB 4.1Å; Y222-F236 HydrophobicContact CE2-CB 3.97Å; Y222-K237 HydrophobicContact CE1-CB 4.3Å; Y222-K237 HydrophobicContact CE1-CG 4.36Å; Y222-K237 HydrophobicContact CE2-CB 4.42Å; Y222-I240 HydrophobicContact CD1-CD1 4.33Å; Y222-I240 HydrophobicContact CD2-CD1 3.78Å; Y222-I240 HydrophobicContact CG-CD1 3.62Å
223S95.3Very high92.9Very high84 Ų8460 Ų6059%0.58732%0.318SS*.Hα-helixtrans-65.9-18.7179.470.90000113.6H219 S220 I221 I225H219-S223 PolarHBondContact O-N 3.49Å; S220-S223 PolarHBondContact O-OG 3.3Å; I221-S223 VanDerWaalsContact C-N 3.3Å; I221-S223 PolarHBondContact O-N 3.33Å; S223-I225 VanDerWaalsContact C-N 3.29Å
224Q93.4Very high92.8Very high63 Ų6355.8 Ų55.829%0.29430%0.295SS..THydrogen-bonded Turntrans-82.4-7.5177.2-59.8163.6-3.700112.6Y202 S220 I221 Y222 M226Y202-Q224 HydrophobicContact CE1-CB 4.27Å; S220-Q224 WeakPolarHBondContact O-CG 3.47Å; I221-Q224 WeakPolarHBondContact O-CB 3.36Å; I221-Q224 PolarHBondContact O-N 2.84Å; I221-Q224 VanDerWaalsContact O-N 3.15Å; Y222-Q224 PolarHBondContact O-N 3.39Å; Q224-M226 PolarHBondContact O-N 3.46Å
225I93.6Very high92.7Very high12 Ų1253.1 Ų53.16%0.06228%0.281CS..  trans-75.7112.4177.2-60.5176.1000109.8R199 Y202 Y222 S223 S227 T228R199-I225 HydrophobicContact CG-CG2 3.84Å; Y202-I225 HydrophobicContact CD2-CG1 4.17Å; Y202-I225 HydrophobicContact CG-CG1 4.12Å; Y222-I225 HydrophobicContact CD2-CD1 4.02Å; Y222-I225 HydrophobicContact CE2-CD1 4.39Å; Y222-I225 WeakPolarHBondContact O-CB 3.45Å; Y222-I225 WeakPolarHBondContact O-CG1 3.49Å; Y222-I225 PolarHBondContact O-N 2.67Å; Y222-I225 VanDerWaalsContact O-N 3.11Å; S223-I225 VanDerWaalsContact C-N 3.29Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 VanDerWaalsContact CG2-O 3.29Å; I225-S227 WeakPolarHBondContact CG2-O 3.41Å; I225-S227 PolarHBondContact O-N 3.3Å; I225-T228 HydrophobicContact CB-CG2 4.26Å; I225-T228 HydrophobicContact CG2-CG2 4.13Å
226M87.8Confident92.7Very high182 Ų18252.2 Ų52.290%0.89728%0.275SS*.SBendtrans-57.6-37.2-176.6-65-179.671.200115.2Q224Q224-M226 PolarHBondContact O-N 3.46Å
227S87.2Confident92.6Very high51 Ų5147.9 Ų47.936%0.35725%0.254SS..  trans-133.3123.5176.9164.20000110.2I225 D229I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 VanDerWaalsContact CG2-O 3.29Å; I225-S227 WeakPolarHBondContact CG2-O 3.41Å; I225-S227 PolarHBondContact O-N 3.3Å; S227-D229 PolarHBondContact OG-OD2 3.47Å
228T88.3Confident92.5Very high40 Ų4045.5 Ų45.525%0.24524%0.243CC..  trans-107.69.6-175.357.20000113Y222 I225 S230 C233 Q234Y222-T228 HydrophobicContact CE1-CG2 3.88Å; Y222-T228 HydrophobicContact CE2-CG2 4.5Å; Y222-T228 VanDerWaalsContact OH-CB 3.29Å; Y222-T228 WeakPolarHBondContact OH-CB 3.35Å; Y222-T228 WeakPolarHBondContact OH-CG2 3.45Å; I225-T228 HydrophobicContact CB-CG2 4.26Å; I225-T228 HydrophobicContact CG2-CG2 4.13Å; T228-S230 PolarHBondContact O-N 3.22Å; T228-C233 HydrophobicContact CG2-CB 4.47Å; T228-C233 VanDerWaalsContact O-CB 3.23Å; T228-C233 WeakPolarHBondContact O-CB 2.98Å; T228-Q234 PolarHBondContact O-NE2 3.09Å
229D82.7Confident92.4Very high132 Ų13246 Ų4671%0.70625%0.246SC*.  trans-72.4-11.7-175.7-49.4-53.9000113.2S227S227-D229 PolarHBondContact OG-OD2 3.47Å
230S86.4Confident92.3Very high26 Ų2641 Ų4118%0.18222%0.223CC..SBendtrans-68.1145.5178.6820000111.6T228 L232 C233 Q234T228-S230 PolarHBondContact O-N 3.22Å; S230-L232 PolarHBondContact O-N 3.44Å; S230-L232 VanDerWaalsContact O-N 3.15Å; S230-C233 PolarHBondContact O-N 3.16Å; S230-C233 PolarHBondContact OG-N 3.08Å; S230-C233 PolarHBondContact OG-SG 2.74Å; S230-Q234 PolarHBondContact O-N 3.22Å
231K88.5Confident92.1Very high54 Ų5440 Ų4024%0.23521%0.213CC..Hα-helixtrans-45.4-47174-177.9-179.4176.1176.60111.9Q234 N235 E270 T307 E309 M314K231-Q234 PolarHBondContact O-N 3.47Å; K231-N235 PolarHBondContact O-N 2.78Å; K231-N235 VanDerWaalsContact O-N 3.1Å; K231-N235 PolarHBondContact O-ND2 3.34Å; K231-E270 HydrophobicContact CD-CB 3.96Å; K231-E270 WeakPolarHBondContact CE-OE2 3.21Å; K231-E270 HydrophobicContact CG-CB 4.24Å; K231-E270 WeakPolarHBondContact CG-O 3.38Å; K231-E270 IonicContact NZ-OE2 3.63Å; K231-E270 PolarHBondContact NZ-OE2 3.44Å; K231-T307 PolarHBondContact NZ-OG1 3.45Å; K231-T307 VanDerWaalsContact NZ-OG1 3.09Å; K231-E309 IonicContact NZ-OE2 2.75Å; K231-E309 PolarHBondContact NZ-OE2 3.16Å; K231-M314 HydrophobicContact CD-CE 4.45Å; K231-M314 HydrophobicContact CD-SD 4.23Å; K231-M314 VanDerWaalsContact CE-CE 3.46Å; K231-M314 HydrophobicContact CG-SD 4.22Å
232L90.5Very high91.9Very high22 Ų2240.7 Ų40.712%0.11522%0.216CC..Hα-helixtrans-63.6-44.7-179.2-177.657.6000112.7C203 S230 N235 F236 M314 L315C203-L232 HydrophobicContact CB-CD2 3.82Å; C203-L232 HydrophobicContact CB-CG 4.4Å; S230-L232 PolarHBondContact O-N 3.44Å; S230-L232 VanDerWaalsContact O-N 3.15Å; L232-N235 PolarHBondContact O-N 3.01Å; L232-F236 HydrophobicContact CD1-CD2 3.95Å; L232-F236 HydrophobicContact CD1-CE2 3.31Å; L232-F236 HydrophobicContact CD1-CZ 3.79Å; L232-F236 HydrophobicContact CD2-CE2 4.12Å; L232-F236 HydrophobicContact CG-CD2 3.94Å; L232-F236 HydrophobicContact CG-CE2 3.52Å; L232-F236 HydrophobicContact CG-CZ 4.45Å; L232-F236 WeakPolarHBondContact O-CD2 3.42Å; L232-F236 PolarHBondContact O-N 3.36Å; L232-M314 HydrophobicContact CD1-CB 3.84Å; L232-M314 HydrophobicContact CD1-SD 4.5Å; L232-L315 HydrophobicContact CD1-CG 4.23Å; L232-L315 HydrophobicContact CD2-CD2 3.86Å; L232-L315 HydrophobicContact CD2-CG 4.28Å
233C92.6Very high91.6Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-63.7-43.8177.5-68.70000112Y222 T228 S230 N235 F236 K237Y222-C233 HydrophobicContact CE2-CB 4.22Å; Y222-C233 WeakPolarHBondContact CE2-O 3.27Å; Y222-C233 PolarHBondContact OH-O 3.06Å; Y222-C233 VanDerWaalsContact OH-O 3.1Å; T228-C233 HydrophobicContact CG2-CB 4.47Å; T228-C233 VanDerWaalsContact O-CB 3.23Å; T228-C233 WeakPolarHBondContact O-CB 2.98Å; S230-C233 PolarHBondContact O-N 3.16Å; S230-C233 PolarHBondContact OG-N 3.08Å; S230-C233 PolarHBondContact OG-SG 2.74Å; C233-N235 VanDerWaalsContact C-N 3.28Å; C233-N235 PolarHBondContact O-N 3.21Å; C233-F236 PolarHBondContact O-N 3.02Å; C233-F236 VanDerWaalsContact O-N 3.14Å; C233-K237 PolarHBondContact O-N 2.92Å
234Q92.4Very high91.3Very high30 Ų3042.3 Ų42.314%0.1422%0.224CC..Hα-helixtrans-60.2-40177.3-66.7-60.6-40.700111.9T228 S230 K231 K237 V238 F271T228-Q234 PolarHBondContact O-NE2 3.09Å; S230-Q234 PolarHBondContact O-N 3.22Å; K231-Q234 PolarHBondContact O-N 3.47Å; Q234-K237 WeakPolarHBondContact O-CB 3.45Å; Q234-K237 PolarHBondContact O-N 3.06Å; Q234-V238 WeakPolarHBondContact O-CG2 3.27Å; Q234-V238 PolarHBondContact O-N 3.01Å; Q234-F271 HydrophobicContact CB-CE1 4.24Å
235N94.6Very high91Very high0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-64-43.4174.4-83.4-88.6000112.4K231 L232 C233 V238 M239 E270 F271 S272 V275 L311K231-N235 PolarHBondContact O-N 2.78Å; K231-N235 VanDerWaalsContact O-N 3.1Å; K231-N235 PolarHBondContact O-ND2 3.34Å; L232-N235 PolarHBondContact O-N 3.01Å; C233-N235 VanDerWaalsContact C-N 3.28Å; C233-N235 PolarHBondContact O-N 3.21Å; N235-V238 PolarHBondContact O-N 3.39Å; N235-M239 WeakPolarHBondContact O-CB 3.31Å; N235-M239 PolarHBondContact O-N 3Å; N235-E270 PolarHBondContact ND2-O 2.88Å; N235-F271 VanDerWaalsContact OD1-CA 3.31Å; N235-F271 WeakPolarHBondContact OD1-CA 3.19Å; N235-S272 PolarHBondContact OD1-N 3.1Å; N235-V275 HydrophobicContact CB-CG2 4.16Å; N235-V275 WeakPolarHBondContact OD1-CG2 3.48Å; N235-L311 HydrophobicContact CB-CD2 3.54Å
236F95.6Very high90.8Very high3 Ų343.1 Ų43.11%0.01324%0.235CC..Hα-helixtrans-65.4-37.3175-76.2-49.9000113.2C203 V206 A207 L210 Y222 L232 C233 V238 M239 I240 L311 L315C203-F236 HydrophobicContact CB-CD2 4.36Å; C203-F236 HydrophobicContact CB-CE2 3.85Å; V206-F236 HydrophobicContact CG1-CB 4.18Å; V206-F236 HydrophobicContact CG1-CD1 4.08Å; V206-F236 HydrophobicContact CG1-CG 4.04Å; A207-F236 HydrophobicContact CB-CE1 3.67Å; A207-F236 HydrophobicContact CB-CZ 3.59Å; L210-F236 HydrophobicContact CD1-CD1 3.87Å; L210-F236 HydrophobicContact CD1-CE1 4.39Å; Y222-F236 HydrophobicContact CD2-CB 4.1Å; Y222-F236 HydrophobicContact CE2-CB 3.97Å; L232-F236 HydrophobicContact CD1-CD2 3.95Å; L232-F236 HydrophobicContact CD1-CE2 3.31Å; L232-F236 HydrophobicContact CD1-CZ 3.79Å; L232-F236 HydrophobicContact CD2-CE2 4.12Å; L232-F236 HydrophobicContact CG-CD2 3.94Å; L232-F236 HydrophobicContact CG-CE2 3.52Å; L232-F236 HydrophobicContact CG-CZ 4.45Å; L232-F236 WeakPolarHBondContact O-CD2 3.42Å; L232-F236 PolarHBondContact O-N 3.36Å; C233-F236 PolarHBondContact O-N 3.02Å; C233-F236 VanDerWaalsContact O-N 3.14Å; F236-V238 VanDerWaalsContact C-N 3.31Å; F236-V238 PolarHBondContact O-N 2.9Å; F236-M239 PolarHBondContact O-N 3.28Å; F236-I240 WeakPolarHBondContact O-CB 3.41Å; F236-I240 WeakPolarHBondContact O-CD1 3.36Å; F236-I240 VanDerWaalsContact O-CG1 3.24Å; F236-I240 WeakPolarHBondContact O-CG1 3.34Å; F236-I240 PolarHBondContact O-N 3.47Å; F236-L311 HydrophobicContact CE1-CD1 4.2Å; F236-L315 HydrophobicContact CE2-CD2 4.08Å; F236-L315 HydrophobicContact CE2-CG 4.4Å; F236-L315 HydrophobicContact CZ-CD1 3.89Å; F236-L315 HydrophobicContact CZ-CD2 4.06Å; F236-L315 HydrophobicContact CZ-CG 4.01Å
237K95.3Very high90.5Very high79 Ų7934.7 Ų34.734%0.34320%0.195SC..Hα-helixtrans-56.2-49.4175-169.6176.8-179179.20110.9Y222 C233 Q234 I240 L241 V253Y222-K237 HydrophobicContact CE1-CB 4.3Å; Y222-K237 HydrophobicContact CE1-CG 4.36Å; Y222-K237 HydrophobicContact CE2-CB 4.42Å; C233-K237 PolarHBondContact O-N 2.92Å; Q234-K237 WeakPolarHBondContact O-CB 3.45Å; Q234-K237 PolarHBondContact O-N 3.06Å; K237-I240 PolarHBondContact O-N 3.26Å; K237-L241 HydrophobicContact CG-CD1 4.19Å; K237-L241 WeakPolarHBondContact O-CD1 3.41Å; K237-L241 VanDerWaalsContact O-CG 3.24Å; K237-L241 WeakPolarHBondContact O-CG 3.36Å; K237-L241 PolarHBondContact O-N 3.05Å; K237-L241 VanDerWaalsContact O-N 3.11Å; K237-V253 HydrophobicContact CD-CG1 4.31Å; K237-V253 HydrophobicContact CD-CG2 4Å; K237-V253 HydrophobicContact CG-CG2 4.46Å
238V94.3Very high90.4Very high0 Ų037.1 Ų37.10%020%0.203CC..Hα-helixtrans-64.3-43.7178.3175.60000110.6Q234 N235 F236 I240 L241 I242 V253 L254 F271 V275Q234-V238 WeakPolarHBondContact O-CG2 3.27Å; Q234-V238 PolarHBondContact O-N 3.01Å; N235-V238 PolarHBondContact O-N 3.39Å; F236-V238 VanDerWaalsContact C-N 3.31Å; F236-V238 PolarHBondContact O-N 2.9Å; V238-I240 PolarHBondContact O-N 3.06Å; V238-L241 PolarHBondContact O-N 3.09Å; V238-I242 HydrophobicContact CG1-CD1 3.63Å; V238-I242 HydrophobicContact CG1-CG1 4.27Å; V238-I242 WeakPolarHBondContact O-CD1 3.44Å; V238-I242 VanDerWaalsContact O-CG1 3.23Å; V238-I242 WeakPolarHBondContact O-CG1 3.38Å; V238-I242 PolarHBondContact O-N 3.05Å; V238-V253 HydrophobicContact CG2-CB 4.32Å; V238-V253 HydrophobicContact CG2-CG1 3.66Å; V238-L254 HydrophobicContact CG1-CD1 4.26Å; V238-L254 HydrophobicContact CG1-CD2 4.24Å; V238-L254 HydrophobicContact CG1-CG 4.32Å; V238-L254 HydrophobicContact CG2-CD2 3.89Å; V238-L254 HydrophobicContact CG2-CG 4.17Å; V238-F271 HydrophobicContact CG2-CD1 4.32Å; V238-F271 HydrophobicContact CG2-CE1 3.8Å; V238-V275 HydrophobicContact CB-CG1 3.88Å; V238-V275 HydrophobicContact CG1-CG1 3.46Å; V238-V275 VanDerWaalsContact CG1-CG1 3.46Å
239M94.3Very high90.4Very high11 Ų1136 Ų365%0.05420%0.199CC..Hα-helixtrans-61.8-43.7178.6-171.557.468.300112.7L210 N235 F236 L241 I242 M243 V275 D278 L311L210-M239 HydrophobicContact CD1-CB 4.31Å; L210-M239 HydrophobicContact CD1-CG 3.92Å; N235-M239 WeakPolarHBondContact O-CB 3.31Å; N235-M239 PolarHBondContact O-N 3Å; F236-M239 PolarHBondContact O-N 3.28Å; M239-L241 VanDerWaalsContact C-N 3.35Å; M239-L241 PolarHBondContact O-N 3.49Å; M239-I242 PolarHBondContact O-N 3.37Å; M239-M243 HydrophobicContact CG-CG 4.49Å; M239-M243 HydrophobicContact CG-SD 4.22Å; M239-M243 WeakPolarHBondContact O-CB 3.3Å; M239-M243 WeakPolarHBondContact O-CG 3.48Å; M239-M243 PolarHBondContact O-N 3.46Å; M239-M243 HydrophobicContact SD-CG 4.19Å; M239-M243 HydrophobicContact SD-SD 4.28Å; M239-V275 HydrophobicContact CE-CB 4.23Å; M239-V275 HydrophobicContact CE-CG2 3.78Å; M239-D278 HydrophobicContact CE-CB 4.23Å; M239-D278 WeakPolarHBondContact CE-OD2 3.34Å; M239-L311 HydrophobicContact CE-CD1 4.14Å
240I95.6Very high90.7Very high4 Ų429.7 Ų29.72%0.02117%0.165CC..Hα-helixtrans-58.3-48.4174.9-68.9160.3000110V206 L210 V215 A218 H219 Y222 F236 K237 V238 I242 M243 S244V206-I240 HydrophobicContact CG1-CD1 3.99Å; V206-I240 HydrophobicContact CG1-CG1 4.49Å; L210-I240 HydrophobicContact CD1-CG1 4.2Å; L210-I240 HydrophobicContact CD2-CG1 3.93Å; V215-I240 HydrophobicContact CG1-CG2 4.36Å; A218-I240 HydrophobicContact CB-CG1 4.38Å; H219-I240 HydrophobicContact CB-CG2 4.01Å; Y222-I240 HydrophobicContact CD1-CD1 4.33Å; Y222-I240 HydrophobicContact CD2-CD1 3.78Å; Y222-I240 HydrophobicContact CG-CD1 3.62Å; F236-I240 WeakPolarHBondContact O-CB 3.41Å; F236-I240 WeakPolarHBondContact O-CD1 3.36Å; F236-I240 VanDerWaalsContact O-CG1 3.24Å; F236-I240 WeakPolarHBondContact O-CG1 3.34Å; F236-I240 PolarHBondContact O-N 3.47Å; K237-I240 PolarHBondContact O-N 3.26Å; V238-I240 PolarHBondContact O-N 3.06Å; I240-I242 PolarHBondContact O-N 2.89Å; I240-M243 PolarHBondContact O-N 2.94Å; I240-S244 WeakPolarHBondContact O-CB 3.47Å; I240-S244 PolarHBondContact O-N 3.34Å; I240-S244 PolarHBondContact O-OG 3Å
241L93.5Very high90.8Very high27 Ų2729.1 Ų29.114%0.14116%0.161CC..Hα-helixtrans-61.8-41.6179.8-68.4164000112.5K237 V238 M239 S244 G245 D246 A250 V253K237-L241 HydrophobicContact CG-CD1 4.19Å; K237-L241 WeakPolarHBondContact O-CD1 3.41Å; K237-L241 VanDerWaalsContact O-CG 3.24Å; K237-L241 WeakPolarHBondContact O-CG 3.36Å; K237-L241 PolarHBondContact O-N 3.05Å; K237-L241 VanDerWaalsContact O-N 3.11Å; V238-L241 PolarHBondContact O-N 3.09Å; M239-L241 VanDerWaalsContact C-N 3.35Å; M239-L241 PolarHBondContact O-N 3.49Å; L241-S244 PolarHBondContact O-N 3.02Å; L241-G245 PolarHBondContact O-N 2.96Å; L241-D246 HydrophobicContact CD2-CB 4.03Å; L241-D246 WeakPolarHBondContact CD2-OD2 3.4Å; L241-D246 PolarHBondContact O-N 3.09Å; L241-A250 HydrophobicContact CB-CB 4.06Å; L241-V253 HydrophobicContact CD1-CG2 3.82Å
242I90.6Very high90.8Very high16 Ų1630.3 Ų30.38%0.08218%0.176CC..Hα-helixtrans-60.4-50.3175.3-68.5162.5000110.2V238 M239 I240 S244 G245 A250 V275 D278 Y279 L282V238-I242 HydrophobicContact CG1-CD1 3.63Å; V238-I242 HydrophobicContact CG1-CG1 4.27Å; V238-I242 WeakPolarHBondContact O-CD1 3.44Å; V238-I242 VanDerWaalsContact O-CG1 3.23Å; V238-I242 WeakPolarHBondContact O-CG1 3.38Å; V238-I242 PolarHBondContact O-N 3.05Å; M239-I242 PolarHBondContact O-N 3.37Å; I240-I242 PolarHBondContact O-N 2.89Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 3.45Å; I242-G245 PolarHBondContact O-N 3.23Å; I242-A250 HydrophobicContact CG1-CB 4.4Å; I242-V275 HydrophobicContact CD1-CG1 4.34Å; I242-D278 HydrophobicContact CG2-CB 4.39Å; I242-Y279 HydrophobicContact CD1-CD2 4.33Å; I242-Y279 HydrophobicContact CG1-CD2 4.24Å; I242-L282 HydrophobicContact CB-CD1 4.32Å; I242-L282 HydrophobicContact CG1-CD1 3.93Å; I242-L282 HydrophobicContact CG2-CD1 4.07Å; I242-L282 HydrophobicContact CG2-CD2 4.23Å; I242-L282 HydrophobicContact CG2-CG 4.14Å
243M90.6Very high90.8Very high67 Ų6730.1 Ų30.133%0.3318%0.175SC..Hα-helixtrans-70.5-28-177.5-66.8-171.269.600113.1L210 N213 V215 M239 I240 G245L210-M243 HydrophobicContact CB-SD 4.05Å; L210-M243 HydrophobicContact CD2-SD 3.65Å; L210-M243 HydrophobicContact CG-SD 4.37Å; L210-M243 WeakPolarHBondContact O-CE 3.47Å; N213-M243 WeakPolarHBondContact OD1-CE 3.44Å; V215-M243 HydrophobicContact CG1-CB 4.26Å; V215-M243 HydrophobicContact CG2-CB 3.78Å; V215-M243 HydrophobicContact CG2-CE 4.29Å; M239-M243 HydrophobicContact CG-CG 4.49Å; M239-M243 HydrophobicContact CG-SD 4.22Å; M239-M243 WeakPolarHBondContact O-CB 3.3Å; M239-M243 WeakPolarHBondContact O-CG 3.48Å; M239-M243 PolarHBondContact O-N 3.46Å; M239-M243 HydrophobicContact SD-CG 4.19Å; M239-M243 HydrophobicContact SD-SD 4.28Å; I240-M243 PolarHBondContact O-N 2.94Å; M243-G245 PolarHBondContact O-N 2.69Å
244S90.1Very high90.6Very high69 Ų6930.2 Ų30.248%0.48318%0.176SC..THydrogen-bonded Turntrans-73.3-11.6170.1-61.80000113.2V215 I240 L241 I242 D246V215-S244 WeakPolarHBondContact CG1-OG 3.43Å; I240-S244 WeakPolarHBondContact O-CB 3.47Å; I240-S244 PolarHBondContact O-N 3.34Å; I240-S244 PolarHBondContact O-OG 3Å; L241-S244 PolarHBondContact O-N 3.02Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 3.45Å; S244-D246 VanDerWaalsContact C-N 3.27Å; S244-D246 PolarHBondContact O-N 3.42Å
245G87.3Confident90.4Very high22 Ų2230.3 Ų30.323%0.22718%0.18CC..THydrogen-bonded Turntrans75.210.4-17300000114.7L241 I242 M243 V247 R287L241-G245 PolarHBondContact O-N 2.96Å; I242-G245 PolarHBondContact O-N 3.23Å; M243-G245 PolarHBondContact O-N 2.69Å; G245-V247 VanDerWaalsContact C-N 3.32Å; G245-V247 PolarHBondContact O-N 2.91Å; G245-R287 PolarHBondContact O-NH1 3.45Å; G245-R287 VanDerWaalsContact O-NH1 3.15Å
246D87.9Confident90Very high70 Ų7033.3 Ų33.337%0.37421%0.205SC..  trans-81.177.7175.4-177.29.5000110.9L241 S244 L248 G249 A250L241-D246 HydrophobicContact CD2-CB 4.03Å; L241-D246 WeakPolarHBondContact CD2-OD2 3.4Å; L241-D246 PolarHBondContact O-N 3.09Å; S244-D246 VanDerWaalsContact C-N 3.27Å; S244-D246 PolarHBondContact O-N 3.42Å; D246-L248 VanDerWaalsContact C-N 3.29Å; D246-L248 PolarHBondContact O-N 3.47Å; D246-L248 PolarHBondContact OD1-N 2.87Å; D246-G249 PolarHBondContact O-N 2.9Å; D246-G249 PolarHBondContact OD1-N 3.2Å; D246-A250 PolarHBondContact O-N 2.82Å; D246-A250 VanDerWaalsContact O-N 3.08Å
247V83.1Confident89.5Confident6 Ų633.7 Ų33.74%0.03621%0.209CC..Hα-helixtrans-62.9-37.2180-173.90000111.6G245 A250 V251 L282 F289 V293G245-V247 VanDerWaalsContact C-N 3.32Å; G245-V247 PolarHBondContact O-N 2.91Å; V247-A250 PolarHBondContact O-N 3.45Å; V247-V251 HydrophobicContact CG1-CG2 4.31Å; V247-V251 WeakPolarHBondContact O-CB 3.3Å; V247-V251 WeakPolarHBondContact O-CG2 3.2Å; V247-V251 PolarHBondContact O-N 2.99Å; V247-L282 HydrophobicContact CG2-CD1 4.15Å; V247-L282 HydrophobicContact CG2-CD2 4.33Å; V247-F289 HydrophobicContact CB-CD2 4.22Å; V247-F289 HydrophobicContact CG1-CB 3.99Å; V247-F289 HydrophobicContact CG1-CD2 3.99Å; V247-F289 HydrophobicContact CG1-CG 4.22Å; V247-V293 HydrophobicContact CG1-CG2 4.41Å
248L84.4Confident88.7Confident101 Ų10131.3 Ų31.353%0.52920%0.199SC..Hα-helixtrans-68.5-43.4-178.2-72.8177.2000111.2D246 A250 V251 S252 F289D246-L248 VanDerWaalsContact C-N 3.29Å; D246-L248 PolarHBondContact O-N 3.47Å; D246-L248 PolarHBondContact OD1-N 2.87Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-V251 PolarHBondContact O-N 3Å; L248-S252 WeakPolarHBondContact O-CB 3.45Å; L248-S252 PolarHBondContact O-N 3.35Å; L248-F289 HydrophobicContact CD1-CZ 4.21Å; L248-F289 HydrophobicContact CD2-CD1 3.97Å; L248-F289 HydrophobicContact CD2-CE1 3.4Å; L248-F289 HydrophobicContact CD2-CE2 4.25Å; L248-F289 HydrophobicContact CD2-CZ 3.56Å; L248-F289 HydrophobicContact CG-CE1 4.26Å; L248-F289 HydrophobicContact CG-CE2 4.3Å; L248-F289 HydrophobicContact CG-CZ 3.9Å
249G89.1Confident87.7Confident16 Ų1634.6 Ų34.617%0.16522%0.222CC..Hα-helixtrans-58.4-46.317200000111.5D246 S252 V253D246-G249 PolarHBondContact O-N 2.9Å; D246-G249 PolarHBondContact OD1-N 3.2Å; G249-S252 WeakPolarHBondContact O-CB 3.1Å; G249-S252 PolarHBondContact O-N 3.34Å; G249-V253 WeakPolarHBondContact O-CG2 3.22Å; G249-V253 PolarHBondContact O-N 2.9Å
250A89.3Confident86.3Confident0 Ų039.9 Ų39.90%026%0.257CS..Hα-helixtrans-61.8-45.9178.300000112.2L241 I242 D246 V247 L248 S252 V253 L254 Y279L241-A250 HydrophobicContact CB-CB 4.06Å; I242-A250 HydrophobicContact CG1-CB 4.4Å; D246-A250 PolarHBondContact O-N 2.82Å; D246-A250 VanDerWaalsContact O-N 3.08Å; V247-A250 PolarHBondContact O-N 3.45Å; L248-A250 VanDerWaalsContact C-N 3.34Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 3.2Å; A250-V253 PolarHBondContact O-N 2.89Å; A250-L254 WeakPolarHBondContact O-CB 3.42Å; A250-L254 WeakPolarHBondContact O-CG 3.19Å; A250-L254 PolarHBondContact O-N 3.01Å; A250-Y279 HydrophobicContact CB-CD2 4.18Å; A250-Y279 HydrophobicContact CB-CE2 3.93Å
251V87.6Confident84.7Confident14 Ų1442.2 Ų42.29%0.08527%0.274CS..Hα-helixtrans-58-44.9174.4169.60000110.7V247 L248 S255 Y279 K292V247-V251 HydrophobicContact CG1-CG2 4.31Å; V247-V251 WeakPolarHBondContact O-CB 3.3Å; V247-V251 WeakPolarHBondContact O-CG2 3.2Å; V247-V251 PolarHBondContact O-N 2.99Å; L248-V251 PolarHBondContact O-N 3Å; V251-S255 WeakPolarHBondContact O-CB 3.32Å; V251-S255 PolarHBondContact O-N 2.89Å; V251-S255 PolarHBondContact O-OG 2.87Å; V251-Y279 HydrophobicContact CG2-CE2 4.42Å; V251-Y279 WeakPolarHBondContact CG2-OH 3.3Å; V251-K292 HydrophobicContact CG1-CG 3.76Å; V251-K292 HydrophobicContact CG2-CG 4.47Å
252S88.9Confident82.8Confident79 Ų7953.3 Ų53.355%0.55231%0.314SS*.Hα-helixtrans-61.9-48.5-178.9-177.50000111.6L248 G249 A250 S255 A256L248-S252 WeakPolarHBondContact O-CB 3.45Å; L248-S252 PolarHBondContact O-N 3.35Å; G249-S252 WeakPolarHBondContact O-CB 3.1Å; G249-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact C-N 3.31Å; A250-S252 PolarHBondContact O-N 3.2Å; S252-S255 PolarHBondContact O-N 3.21Å; S252-A256 VanDerWaalsContact O-CB 3.31Å; S252-A256 WeakPolarHBondContact O-CB 3.25Å; S252-A256 PolarHBondContact O-N 3.39Å
253V90.3Very high81.4Confident18 Ų1854.7 Ų54.711%0.10933%0.325CS..Hα-helixtrans-62.2-47.8178.51730000111.5K237 V238 L241 G249 A250 A256 A257K237-V253 HydrophobicContact CD-CG1 4.31Å; K237-V253 HydrophobicContact CD-CG2 4Å; K237-V253 HydrophobicContact CG-CG2 4.46Å; V238-V253 HydrophobicContact CG2-CB 4.32Å; V238-V253 HydrophobicContact CG2-CG1 3.66Å; L241-V253 HydrophobicContact CD1-CG2 3.82Å; G249-V253 WeakPolarHBondContact O-CG2 3.22Å; G249-V253 PolarHBondContact O-N 2.9Å; A250-V253 PolarHBondContact O-N 2.89Å; V253-A256 PolarHBondContact O-N 3.12Å; V253-A257 PolarHBondContact O-N 3.34Å; V253-A257 VanDerWaalsContact O-N 3.11Å
254L89.1Confident79.9Confident2 Ų261.6 Ų61.61%0.0135%0.354CS..Hα-helixtrans-67.5-37.2-179.8-68.1172.3000111.9V238 A250 A257 M258 F271 Y279 V296 L300V238-L254 HydrophobicContact CG1-CD1 4.26Å; V238-L254 HydrophobicContact CG1-CD2 4.24Å; V238-L254 HydrophobicContact CG1-CG 4.32Å; V238-L254 HydrophobicContact CG2-CD2 3.89Å; V238-L254 HydrophobicContact CG2-CG 4.17Å; A250-L254 WeakPolarHBondContact O-CB 3.42Å; A250-L254 WeakPolarHBondContact O-CG 3.19Å; A250-L254 PolarHBondContact O-N 3.01Å; L254-A257 PolarHBondContact O-N 3.39Å; L254-M258 WeakPolarHBondContact O-CG 3.16Å; L254-F271 HydrophobicContact CD2-CD1 3.91Å; L254-F271 HydrophobicContact CD2-CD2 3.93Å; L254-F271 HydrophobicContact CD2-CE1 3.74Å; L254-F271 HydrophobicContact CD2-CE2 3.76Å; L254-F271 HydrophobicContact CD2-CG 4Å; L254-F271 HydrophobicContact CD2-CZ 3.67Å; L254-Y279 HydrophobicContact CD1-CD1 3.75Å; L254-Y279 HydrophobicContact CD1-CD2 3.87Å; L254-Y279 HydrophobicContact CD1-CE1 3.62Å; L254-Y279 HydrophobicContact CD1-CE2 3.78Å; L254-Y279 HydrophobicContact CD1-CG 3.86Å; L254-V296 HydrophobicContact CB-CG1 3.56Å; L254-V296 HydrophobicContact CD1-CG1 4.1Å; L254-V296 HydrophobicContact CG-CG1 4.45Å; L254-L300 HydrophobicContact CB-CD1 4.42Å; L254-L300 HydrophobicContact CD2-CD1 3.97Å
255S86.7Confident78.5Confident33 Ų3367.6 Ų67.623%0.23137%0.371CS..Hα-helixtrans-66.6-43.1175.5-58.70000112V251 S252 A257 M258 S259V251-S255 WeakPolarHBondContact O-CB 3.32Å; V251-S255 PolarHBondContact O-N 2.89Å; V251-S255 PolarHBondContact O-OG 2.87Å; S252-S255 PolarHBondContact O-N 3.21Å; S255-A257 VanDerWaalsContact C-N 3.26Å; S255-A257 PolarHBondContact O-N 3.39Å; S255-M258 WeakPolarHBondContact O-CB 3.4Å; S255-M258 PolarHBondContact O-N 3.17Å; S255-S259 PolarHBondContact O-N 3.42Å
256A86.6Confident77.5Confident63 Ų6370.9 Ų70.952%0.52139%0.386SS..Hα-helixtrans-62.2-34.3176.700000112.4S252 V253 M258 S259S252-A256 VanDerWaalsContact O-CB 3.31Å; S252-A256 WeakPolarHBondContact O-CB 3.25Å; S252-A256 PolarHBondContact O-N 3.39Å; V253-A256 PolarHBondContact O-N 3.12Å; A256-M258 PolarHBondContact O-N 3.28Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 2.99Å
257A84.8Confident76.7Confident11 Ų1176.5 Ų76.59%0.09141%0.408CS..THydrogen-bonded Turntrans-66.5-17.6175.600000113.9V253 L254 S255 P269 F271 Q305V253-A257 PolarHBondContact O-N 3.34Å; V253-A257 VanDerWaalsContact O-N 3.11Å; L254-A257 PolarHBondContact O-N 3.39Å; S255-A257 VanDerWaalsContact C-N 3.26Å; S255-A257 PolarHBondContact O-N 3.39Å; A257-P269 HydrophobicContact CB-CB 4.05Å; A257-P269 HydrophobicContact CB-CG 3.84Å; A257-F271 HydrophobicContact CB-CE2 3.65Å; A257-F271 HydrophobicContact CB-CZ 3.75Å; A257-Q305 PolarHBondContact O-NE2 3.13Å
258M79.9Confident76.6Confident29 Ų2980.7 Ų80.714%0.14343%0.425CS..THydrogen-bonded Turntrans-92.9-25.1178.6-63.9-174.3-68.700113L254 S255 A256 K268 V296 Q299 L300L254-M258 WeakPolarHBondContact O-CG 3.16Å; S255-M258 WeakPolarHBondContact O-CB 3.4Å; S255-M258 PolarHBondContact O-N 3.17Å; A256-M258 PolarHBondContact O-N 3.28Å; M258-K268 PolarHBondContact O-NZ 2.84Å; M258-V296 HydrophobicContact CE-CB 4.22Å; M258-V296 HydrophobicContact CE-CG1 3.96Å; M258-V296 HydrophobicContact CE-CG2 4Å; M258-Q299 HydrophobicContact CE-CB 4.32Å; M258-Q299 VanDerWaalsContact CE-OE1 3.27Å; M258-Q299 HydrophobicContact SD-CB 3.37Å; M258-Q299 WeakPolarHBondContact SD-CB 3.46Å; M258-Q299 HydrophobicContact SD-CG 4.46Å; M258-L300 HydrophobicContact CG-CD2 3.76Å; M258-L300 HydrophobicContact CG-CG 4.36Å; M258-L300 HydrophobicContact SD-CD2 4.04Å; M258-L300 HydrophobicContact SD-CG 3.96Å
259S73.2Confident76.6Confident69 Ų6978 Ų7848%0.48341%0.414SS..SBendtrans-50.4142.4-179.4-67.30000111.6S255 A256 S261S255-S259 PolarHBondContact O-N 3.42Å; A256-S259 WeakPolarHBondContact O-CB 3.33Å; A256-S259 PolarHBondContact O-N 2.99Å; S259-S261 PolarHBondContact O-N 3.36Å
260P63.5Low76.6Confident122 Ų12280.8 Ų80.879%0.79242%0.423SS*.PPolyproline II helixtrans-54116.5177.6-21.330.6000109.7R262P260-R262 PolarHBondContact O-N 2.85Å
261S62.3Low76.8Confident52 Ų5280.8 Ų80.836%0.36442%0.423SS..PPolyproline II helixtrans-61.2134.8172.7173.10000108.1S259 S263S259-S261 PolarHBondContact O-N 3.36Å; S261-S263 WeakPolarHBondContact CB-O 3.46Å; S261-S263 PolarHBondContact O-N 2.96Å; S261-S263 PolarHBondContact OG-N 3.37Å; S261-S263 PolarHBondContact OG-O 2.94Å
262R54.6Low77Confident261 Ų26180.1 Ų80.199%0.98542%0.419SS*.SBendtrans-61.6-13.6173.3-67.5-177.3178.8-179.4-0.8112.6P260P260-R262 PolarHBondContact O-N 2.85Å
263S61.1Low77.2Confident45 Ų4581.5 Ų81.532%0.31542%0.415SS..  trans-128.9123.1178.5174.40000110.9S261 F265 V266S261-S263 WeakPolarHBondContact CB-O 3.46Å; S261-S263 PolarHBondContact O-N 2.96Å; S261-S263 PolarHBondContact OG-N 3.37Å; S261-S263 PolarHBondContact OG-O 2.94Å; S263-F265 PolarHBondContact O-N 3.04Å; S263-F265 PolarHBondContact OG-N 3.28Å; S263-V266 PolarHBondContact O-N 3.24Å
264F59Low77.2Confident212 Ų21284.7 Ų84.793%0.9343%0.429SS*.THydrogen-bonded Turntrans-59.9-20.9173.8-71.2-85.1000113.3
265F59.7Low77.2Confident195 Ų19584.7 Ų84.786%0.85543%0.428SS*.THydrogen-bonded Turntrans-86.3-13.3-177.2-60.9-77.9000113.7S263 K267S263-F265 PolarHBondContact O-N 3.04Å; S263-F265 PolarHBondContact OG-N 3.28Å; F265-K267 PolarHBondContact O-N 3.36Å
266V65.9Low77.3Confident90 Ų9083.3 Ų83.355%0.54542%0.419SS..SBendtrans-85.9114.9178.8-179.60000108.8S263 K268S263-V266 PolarHBondContact O-N 3.24Å; V266-K268 PolarHBondContact O-N 2.95Å
267K71.6Confident77.4Confident189 Ų18982.6 Ų82.682%0.82241%0.41SS*.PPolyproline II helixtrans-59130.3171.9-74.4-171.2175.6-171.70109.4F265F265-K267 PolarHBondContact O-N 3.36Å
268K80.3Confident77.4Confident94 Ų9484.1 Ų84.141%0.40942%0.417SS..PPolyproline II helixtrans-62148.9173.8-66.6-168.3177.3-168.60110.3M258 V266 E270 Q305M258-K268 PolarHBondContact O-NZ 2.84Å; V266-K268 PolarHBondContact O-N 2.95Å; K268-E270 PolarHBondContact O-N 3.36Å; K268-Q305 HydrophobicContact CB-CG 4.35Å
269P84.9Confident77.6Confident44 Ų4482.8 Ų82.829%0.28641%0.41SS..PPolyproline II helixtrans-58.8138.2174.5-2132.3000111A257 F271 Q305A257-P269 HydrophobicContact CB-CB 4.05Å; A257-P269 HydrophobicContact CB-CG 3.84Å; P269-F271 HydrophobicContact CB-CE2 4.18Å; P269-F271 HydrophobicContact CB-CZ 4.08Å; P269-Q305 PolarHBondContact O-NE2 3.38Å
270E89.9Confident78.1Confident74 Ų7483.4 Ų83.435%0.34640%0.404SS..  trans-109.5140.3176-73.3174.8175.300109.9K231 N235 K268 Q305 T307K231-E270 HydrophobicContact CD-CB 3.96Å; K231-E270 WeakPolarHBondContact CE-OE2 3.21Å; K231-E270 HydrophobicContact CG-CB 4.24Å; K231-E270 WeakPolarHBondContact CG-O 3.38Å; K231-E270 IonicContact NZ-OE2 3.63Å; K231-E270 PolarHBondContact NZ-OE2 3.44Å; N235-E270 PolarHBondContact ND2-O 2.88Å; K268-E270 PolarHBondContact O-N 3.36Å; E270-Q305 CarbonylContact C-O 3.56Å; E270-Q305 WeakPolarHBondContact CA-O 3.21Å; E270-T307 HydrophobicContact CB-CG2 3.84Å; E270-T307 HydrophobicContact CG-CG2 4.02Å; E270-T307 WeakPolarHBondContact OE2-CG2 3.47Å
271F92.6Very high78.9Confident0 Ų085.6 Ų85.60%040%0.396CS..EExtended strand (participates in β ladder)trans-114.3145.4179.9-59.5-80.3000111.4Q234 N235 V238 L254 A257 P269 V276 L300 Q305 V306 T307Q234-F271 HydrophobicContact CB-CE1 4.24Å; N235-F271 VanDerWaalsContact OD1-CA 3.31Å; N235-F271 WeakPolarHBondContact OD1-CA 3.19Å; V238-F271 HydrophobicContact CG2-CD1 4.32Å; V238-F271 HydrophobicContact CG2-CE1 3.8Å; L254-F271 HydrophobicContact CD2-CD1 3.91Å; L254-F271 HydrophobicContact CD2-CD2 3.93Å; L254-F271 HydrophobicContact CD2-CE1 3.74Å; L254-F271 HydrophobicContact CD2-CE2 3.76Å; L254-F271 HydrophobicContact CD2-CG 4Å; L254-F271 HydrophobicContact CD2-CZ 3.67Å; A257-F271 HydrophobicContact CB-CE2 3.65Å; A257-F271 HydrophobicContact CB-CZ 3.75Å; P269-F271 HydrophobicContact CB-CE2 4.18Å; P269-F271 HydrophobicContact CB-CZ 4.08Å; F271-V276 HydrophobicContact CB-CG2 4.06Å; F271-L300 HydrophobicContact CD2-CD1 4.47Å; F271-L300 HydrophobicContact CD2-CD2 4.03Å; F271-L300 HydrophobicContact CE2-CD2 4.13Å; F271-Q305 PolarHBondContact N-O 3.07Å; F271-V306 CarbonylContact O-C 3.53Å; F271-V306 WeakPolarHBondContact O-CA 3.44Å; F271-T307 PolarHBondContact O-N 3.15Å; F271-T307 PolarHBondContact O-OG1 2.89Å
272S92.9Very high79.2Confident1 Ų183.8 Ų83.81%0.00738%0.382CS..EExtended strand (participates in β ladder)trans-68142.3172.6161.90000110N235 E274 V275 V276 E309N235-S272 PolarHBondContact OD1-N 3.1Å; S272-E274 PolarHBondContact O-N 3.33Å; S272-E274 WeakPolarHBondContact OG-CB 3.41Å; S272-E274 PolarHBondContact OG-N 3.24Å; S272-V275 PolarHBondContact O-N 2.9Å; S272-V275 VanDerWaalsContact O-N 3.15Å; S272-V276 WeakPolarHBondContact O-CG2 3.29Å; S272-V276 PolarHBondContact O-N 2.94Å; S272-E309 WeakPolarHBondContact CB-O 3.15Å; S272-E309 PolarHBondContact OG-O 3.15Å
273K91.5Very high79.5Confident108 Ų10877.4 Ų77.447%0.4736%0.358SS..Hα-helixtrans-55.7-33.2170.8-174.7179.4178.5-175.20112.1S277 V306 T307K273-S277 VanDerWaalsContact O-CB 3.27Å; K273-S277 WeakPolarHBondContact O-CB 3.2Å; K273-S277 PolarHBondContact O-N 3.45Å; K273-S277 PolarHBondContact O-OG 2.75Å; K273-V306 HydrophobicContact CB-CG1 4.27Å; K273-T307 PolarHBondContact N-O 3.28Å
274E91.3Very high79.2Confident85 Ų8579.8 Ų79.840%0.39738%0.375SS..Hα-helixtrans-58.9-53.5174.7-174.5-174.3175.700110.8S272 V276 S277 D278 L311S272-E274 PolarHBondContact O-N 3.33Å; S272-E274 WeakPolarHBondContact OG-CB 3.41Å; S272-E274 PolarHBondContact OG-N 3.24Å; E274-V276 VanDerWaalsContact C-N 3.34Å; E274-V276 PolarHBondContact O-N 3.01Å; E274-S277 WeakPolarHBondContact O-CA 3.44Å; E274-S277 WeakPolarHBondContact O-CB 3.32Å; E274-S277 PolarHBondContact O-N 3.28Å; E274-D278 PolarHBondContact O-N 2.91Å; E274-L311 PolarHBondContact OE2-N 3.2Å; E274-L311 VanDerWaalsContact OE2-N 3.14Å
275V90.1Very high79.1Confident1 Ų175.5 Ų75.51%0.00636%0.358CS..Hα-helixtrans-60.3-43.6179.3177.50000111.4N235 V238 M239 I242 S272 S277 D278 Y279 L311N235-V275 HydrophobicContact CB-CG2 4.16Å; N235-V275 WeakPolarHBondContact OD1-CG2 3.48Å; V238-V275 HydrophobicContact CB-CG1 3.88Å; V238-V275 HydrophobicContact CG1-CG1 3.46Å; V238-V275 VanDerWaalsContact CG1-CG1 3.46Å; M239-V275 HydrophobicContact CE-CB 4.23Å; M239-V275 HydrophobicContact CE-CG2 3.78Å; I242-V275 HydrophobicContact CD1-CG1 4.34Å; S272-V275 PolarHBondContact O-N 2.9Å; S272-V275 VanDerWaalsContact O-N 3.15Å; V275-S277 VanDerWaalsContact C-N 3.29Å; V275-S277 PolarHBondContact O-N 2.95Å; V275-D278 PolarHBondContact O-N 2.9Å; V275-Y279 WeakPolarHBondContact O-CB 3.33Å; V275-Y279 PolarHBondContact O-N 3.4Å; V275-L311 HydrophobicContact CG2-CD1 3.91Å; V275-L311 HydrophobicContact CG2-CD2 3.79Å; V275-L311 HydrophobicContact CG2-CG 4.08Å
276V88.4Confident78.8Confident4 Ų469.9 Ų69.92%0.02436%0.355CS..Hα-helixtrans-65.7-34.9177.1175.80000111.2F271 S272 E274 K280 V297 V306F271-V276 HydrophobicContact CB-CG2 4.06Å; S272-V276 WeakPolarHBondContact O-CG2 3.29Å; S272-V276 PolarHBondContact O-N 2.94Å; E274-V276 VanDerWaalsContact C-N 3.34Å; E274-V276 PolarHBondContact O-N 3.01Å; V276-K280 WeakPolarHBondContact O-CG 3.22Å; V276-K280 PolarHBondContact O-N 3.15Å; V276-V297 HydrophobicContact CG1-CG1 4.35Å; V276-V297 HydrophobicContact CG1-CG2 4.19Å; V276-V306 HydrophobicContact CG2-CG1 4.25Å; V276-V306 HydrophobicContact CG2-CG2 4.11Å
277S87.6Confident78.5Confident48 Ų4870 Ų7034%0.33635%0.346SS..Hα-helixtrans-70.1-42.5177.7-58.90000111.5K273 E274 V275 Y279 K280 R281K273-S277 VanDerWaalsContact O-CB 3.27Å; K273-S277 WeakPolarHBondContact O-CB 3.2Å; K273-S277 PolarHBondContact O-N 3.45Å; K273-S277 PolarHBondContact O-OG 2.75Å; E274-S277 WeakPolarHBondContact O-CA 3.44Å; E274-S277 WeakPolarHBondContact O-CB 3.32Å; E274-S277 PolarHBondContact O-N 3.28Å; V275-S277 VanDerWaalsContact C-N 3.29Å; V275-S277 PolarHBondContact O-N 2.95Å; S277-Y279 VanDerWaalsContact C-N 3.33Å; S277-K280 WeakPolarHBondContact O-CB 3.39Å; S277-K280 PolarHBondContact O-N 3.38Å; S277-K280 VanDerWaalsContact O-N 3.16Å; S277-R281 WeakPolarHBondContact O-CG 3.27Å; S277-R281 PolarHBondContact O-N 3.13Å; S277-R281 VanDerWaalsContact O-N 3.12Å
278D85.5Confident78.1Confident44 Ų4466.8 Ų66.824%0.23534%0.344CS..Hα-helixtrans-67.3-36.5174.7-73.4-25.9000111.8M239 I242 E274 V275 K280 R281 L282M239-D278 HydrophobicContact CE-CB 4.23Å; M239-D278 WeakPolarHBondContact CE-OD2 3.34Å; I242-D278 HydrophobicContact CG2-CB 4.39Å; E274-D278 PolarHBondContact O-N 2.91Å; V275-D278 PolarHBondContact O-N 2.9Å; D278-K280 VanDerWaalsContact C-N 3.31Å; D278-K280 PolarHBondContact O-N 3.19Å; D278-R281 WeakPolarHBondContact O-CB 3.48Å; D278-R281 PolarHBondContact O-N 3Å; D278-R281 IonicContact OD1-NH1 2.86Å; D278-L282 PolarHBondContact O-N 2.93Å
279Y84.1Confident77.6Confident1 Ų165.6 Ų65.60%0.00434%0.339CS..Hα-helixtrans-59.4-41.3170.1-177.6-115.6000111.9I242 A250 V251 L254 V275 S277 R281 L282 V293 V296 V297I242-Y279 HydrophobicContact CD1-CD2 4.33Å; I242-Y279 HydrophobicContact CG1-CD2 4.24Å; A250-Y279 HydrophobicContact CB-CD2 4.18Å; A250-Y279 HydrophobicContact CB-CE2 3.93Å; V251-Y279 HydrophobicContact CG2-CE2 4.42Å; V251-Y279 WeakPolarHBondContact CG2-OH 3.3Å; L254-Y279 HydrophobicContact CD1-CD1 3.75Å; L254-Y279 HydrophobicContact CD1-CD2 3.87Å; L254-Y279 HydrophobicContact CD1-CE1 3.62Å; L254-Y279 HydrophobicContact CD1-CE2 3.78Å; L254-Y279 HydrophobicContact CD1-CG 3.86Å; V275-Y279 WeakPolarHBondContact O-CB 3.33Å; V275-Y279 PolarHBondContact O-N 3.4Å; S277-Y279 VanDerWaalsContact C-N 3.33Å; Y279-R281 PolarHBondContact O-N 2.97Å; Y279-L282 HydrophobicContact CD2-CD1 3.94Å; Y279-L282 HydrophobicContact CE2-CD1 4.42Å; Y279-L282 WeakPolarHBondContact O-CB 3.47Å; Y279-L282 PolarHBondContact O-N 2.93Å; Y279-V293 HydrophobicContact CD1-CG1 3.93Å; Y279-V293 HydrophobicContact CE1-CB 4.12Å; Y279-V293 HydrophobicContact CE1-CG1 3.6Å; Y279-V293 HydrophobicContact CE1-CG2 4.27Å; Y279-V293 HydrophobicContact CE2-CG2 4.22Å; Y279-V296 HydrophobicContact CE1-CB 4.39Å; Y279-V296 HydrophobicContact CE1-CG1 4.16Å; Y279-V297 HydrophobicContact CD1-CG2 3.81Å; Y279-V297 HydrophobicContact CE1-CG2 4.02Å
280K82.6Confident77.1Confident82 Ų8268.3 Ų68.336%0.35735%0.346SS..Hα-helixtrans-62.5-29.1173.3-75.3170.1177.1175.70112.3V276 S277 D278 L282 R283 V297 E301V276-K280 WeakPolarHBondContact O-CG 3.22Å; V276-K280 PolarHBondContact O-N 3.15Å; S277-K280 WeakPolarHBondContact O-CB 3.39Å; S277-K280 PolarHBondContact O-N 3.38Å; S277-K280 VanDerWaalsContact O-N 3.16Å; D278-K280 VanDerWaalsContact C-N 3.31Å; D278-K280 PolarHBondContact O-N 3.19Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 2.88Å; K280-R283 WeakPolarHBondContact O-CB 3.41Å; K280-R283 PolarHBondContact O-N 3.25Å; K280-R283 VanDerWaalsContact O-N 3.16Å; K280-V297 HydrophobicContact CD-CG1 4.39Å; K280-V297 HydrophobicContact CG-CG2 3.91Å; K280-E301 IonicContact NZ-OE1 2.79Å; K280-E301 PolarHBondContact NZ-OE1 2.76Å
281R80.8Confident76.6Confident168 Ų16872.5 Ų72.563%0.63437%0.368SS*.Hα-helixtrans-72.1-20.8179.6-67.9174.874.7-173.43.4113.3S277 D278 Y279 R283 S284S277-R281 WeakPolarHBondContact O-CG 3.27Å; S277-R281 PolarHBondContact O-N 3.13Å; S277-R281 VanDerWaalsContact O-N 3.12Å; D278-R281 WeakPolarHBondContact O-CB 3.48Å; D278-R281 PolarHBondContact O-N 3Å; D278-R281 IonicContact OD1-NH1 2.86Å; Y279-R281 PolarHBondContact O-N 2.97Å; R281-R283 PolarHBondContact O-N 2.74Å; R281-S284 PolarHBondContact O-N 3.34Å; R281-S284 PolarHBondContact O-OG 3.05Å
282L69.1Low76.1Confident13 Ų1376.8 Ų76.87%0.06839%0.386CS..G310 helixtrans-60.1-17.6169.2-64.5170.8000112.7I242 V247 D278 Y279 K280 S284I242-L282 HydrophobicContact CB-CD1 4.32Å; I242-L282 HydrophobicContact CG1-CD1 3.93Å; I242-L282 HydrophobicContact CG2-CD1 4.07Å; I242-L282 HydrophobicContact CG2-CD2 4.23Å; I242-L282 HydrophobicContact CG2-CG 4.14Å; V247-L282 HydrophobicContact CG2-CD1 4.15Å; V247-L282 HydrophobicContact CG2-CD2 4.33Å; D278-L282 PolarHBondContact O-N 2.93Å; Y279-L282 HydrophobicContact CD2-CD1 3.94Å; Y279-L282 HydrophobicContact CE2-CD1 4.42Å; Y279-L282 WeakPolarHBondContact O-CB 3.47Å; Y279-L282 PolarHBondContact O-N 2.93Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 2.88Å; L282-S284 VanDerWaalsContact C-N 3.34Å
283R59.9Low75.6Confident128 Ų12877 Ų7748%0.48339%0.387SS..G310 helixtrans-63.1-34.6172.7-167.4-161.5-171-158.40.3113.3K280 R281 E285 K290 E294K280-R283 WeakPolarHBondContact O-CB 3.41Å; K280-R283 PolarHBondContact O-N 3.25Å; K280-R283 VanDerWaalsContact O-N 3.16Å; R281-R283 PolarHBondContact O-N 2.74Å; R283-E285 VanDerWaalsContact C-N 3.29Å; R283-E285 PolarHBondContact O-N 2.54Å; R283-K290 HydrophobicContact CG-CD 4.28Å; R283-K290 HydrophobicContact CG-CG 3.74Å; R283-K290 VanDerWaalsContact NE-CE 3.29Å; R283-E294 IonicContact CZ-OE1 3.07Å; R283-E294 IonicContact NE-OE1 2.75Å; R283-E294 PolarHBondContact NE-OE1 3.28Å; R283-E294 IonicContact NH2-OE1 2.71Å; R283-E294 PolarHBondContact NH2-OE1 3.27Å
284S54.7Low75.2Confident95 Ų9575.2 Ų75.266%0.66438%0.381SS*.G310 helixtrans-77.7-13.5-170.37.60000113.7R281 L282 G286R281-S284 PolarHBondContact O-N 3.34Å; R281-S284 PolarHBondContact O-OG 3.05Å; L282-S284 VanDerWaalsContact C-N 3.34Å; S284-G286 PolarHBondContact O-N 3.47Å
285E57.3Low75Confident121 Ų12175.5 Ų75.557%0.56538%0.382SS*.G310 helixtrans-93.316.5-173.5-62.8-179175.900113.9R283 R287R283-E285 VanDerWaalsContact C-N 3.29Å; R283-E285 PolarHBondContact O-N 2.54Å; E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 HydrophobicContact CB-CG 4.38Å; E285-R287 PolarHBondContact O-N 3.44Å; E285-R287 IonicContact OE2-CZ 3.81Å; E285-R287 IonicContact OE2-NE 3.36Å; E285-R287 PolarHBondContact OE2-NE 3.4Å; E285-R287 IonicContact OE2-NH2 2.71Å; E285-R287 PolarHBondContact OE2-NH2 3.15Å
286G54.3Low74.9Confident77 Ų7775.5 Ų75.579%0.79438%0.382SS*.THydrogen-bonded Turntrans72.220.2172.900000115.7S284S284-G286 PolarHBondContact O-N 3.47Å
287R59.2Low74.9Confident93 Ų9375.6 Ų75.635%0.35138%0.383SS..  trans-82.6148.7-176.1-57.3-170.2-164.3-145.510.8112.9G245 E285 F289G245-R287 PolarHBondContact O-NH1 3.45Å; G245-R287 VanDerWaalsContact O-NH1 3.15Å; E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 HydrophobicContact CB-CG 4.38Å; E285-R287 PolarHBondContact O-N 3.44Å; E285-R287 IonicContact OE2-CZ 3.81Å; E285-R287 IonicContact OE2-NE 3.36Å; E285-R287 PolarHBondContact OE2-NE 3.4Å; E285-R287 IonicContact OE2-NH2 2.71Å; E285-R287 PolarHBondContact OE2-NH2 3.15Å; R287-F289 PolarHBondContact O-N 3.5Å
288P64.3Low74.9Confident122 Ų12276.3 Ų76.379%0.79239%0.385SS*.THydrogen-bonded Turntrans-66.61.4-17525.5-34.4000115.8
289F68.2Low75Confident68 Ų6877.8 Ų77.830%0.29839%0.391SS..THydrogen-bonded Turntrans-1019.6-173.7-54.7-66.8000114.2V247 L248 R287 M291 K292 V293V247-F289 HydrophobicContact CB-CD2 4.22Å; V247-F289 HydrophobicContact CG1-CB 3.99Å; V247-F289 HydrophobicContact CG1-CD2 3.99Å; V247-F289 HydrophobicContact CG1-CG 4.22Å; L248-F289 HydrophobicContact CD1-CZ 4.21Å; L248-F289 HydrophobicContact CD2-CD1 3.97Å; L248-F289 HydrophobicContact CD2-CE1 3.4Å; L248-F289 HydrophobicContact CD2-CE2 4.25Å; L248-F289 HydrophobicContact CD2-CZ 3.56Å; L248-F289 HydrophobicContact CG-CE1 4.26Å; L248-F289 HydrophobicContact CG-CE2 4.3Å; L248-F289 HydrophobicContact CG-CZ 3.9Å; R287-F289 PolarHBondContact O-N 3.5Å; F289-M291 PolarHBondContact O-N 3.36Å; F289-K292 PolarHBondContact O-N 3.48Å; F289-V293 HydrophobicContact CB-CG2 4.49Å; F289-V293 WeakPolarHBondContact O-CG2 3.27Å; F289-V293 PolarHBondContact O-N 3.21Å
290K74.9Confident75.3Confident102 Ų10277.8 Ų77.844%0.44339%0.391SS..Hα-helixtrans-49.2-52.2-174.8-168.4-178.2179.7-179.70113.7R283 K292 V293 E294R283-K290 HydrophobicContact CG-CD 4.28Å; R283-K290 HydrophobicContact CG-CG 3.74Å; R283-K290 VanDerWaalsContact NE-CE 3.29Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 2.96Å; K290-V293 PolarHBondContact O-N 3.48Å; K290-E294 WeakPolarHBondContact O-CG 3.21Å; K290-E294 PolarHBondContact O-N 3Å; K290-E294 VanDerWaalsContact O-N 3.12Å
291M79.3Confident75.6Confident161 Ų16178.3 Ų78.379%0.79340%0.395SS*.Hα-helixtrans-65.4-36.6-179.4-70-176.77500112.3F289 E294 Q295F289-M291 PolarHBondContact O-N 3.36Å; M291-E294 PolarHBondContact O-N 3Å; M291-Q295 WeakPolarHBondContact O-CB 3.44Å; M291-Q295 PolarHBondContact O-N 3.18Å
292K82.2Confident76Confident90 Ų9077.8 Ų77.839%0.39140%0.399SS..Hα-helixtrans-69.9-40.1-179.2-166.267.2-177174.70111.6V251 F289 K290 Q295 V296V251-K292 HydrophobicContact CG1-CG 3.76Å; V251-K292 HydrophobicContact CG2-CG 4.47Å; F289-K292 PolarHBondContact O-N 3.48Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 2.96Å; K292-Q295 PolarHBondContact O-N 3.47Å; K292-V296 VanDerWaalsContact O-CG2 3.26Å; K292-V296 WeakPolarHBondContact O-CG2 3.41Å; K292-V296 PolarHBondContact O-N 3.44Å
293V82.4Confident76.8Confident5 Ų579.8 Ų79.83%0.0342%0.418CS..Hα-helixtrans-59.5-49.6173.6170.60000110.5V247 Y279 F289 K290 Q295 V296 V297V247-V293 HydrophobicContact CG1-CG2 4.41Å; Y279-V293 HydrophobicContact CD1-CG1 3.93Å; Y279-V293 HydrophobicContact CE1-CB 4.12Å; Y279-V293 HydrophobicContact CE1-CG1 3.6Å; Y279-V293 HydrophobicContact CE1-CG2 4.27Å; Y279-V293 HydrophobicContact CE2-CG2 4.22Å; F289-V293 HydrophobicContact CB-CG2 4.49Å; F289-V293 WeakPolarHBondContact O-CG2 3.27Å; F289-V293 PolarHBondContact O-N 3.21Å; K290-V293 PolarHBondContact O-N 3.48Å; V293-Q295 PolarHBondContact O-N 3.32Å; V293-V296 PolarHBondContact O-N 3.18Å; V293-V297 VanDerWaalsContact O-CG2 3.3Å; V293-V297 WeakPolarHBondContact O-CG2 3.49Å; V293-V297 PolarHBondContact O-N 2.9Å
294E84.1Confident78.1Confident72 Ų7276.3 Ų76.334%0.33642%0.422SS..Hα-helixtrans-61.1-42.6178.5-74.1173.7-172.400112.5R283 K290 M291 T298R283-E294 IonicContact CZ-OE1 3.07Å; R283-E294 IonicContact NE-OE1 2.75Å; R283-E294 PolarHBondContact NE-OE1 3.28Å; R283-E294 IonicContact NH2-OE1 2.71Å; R283-E294 PolarHBondContact NH2-OE1 3.27Å; K290-E294 WeakPolarHBondContact O-CG 3.21Å; K290-E294 PolarHBondContact O-N 3Å; K290-E294 VanDerWaalsContact O-N 3.12Å; M291-E294 PolarHBondContact O-N 3Å; E294-T298 WeakPolarHBondContact O-CB 3.23Å; E294-T298 PolarHBondContact O-N 2.93Å; E294-T298 PolarHBondContact O-OG1 3.41Å
295Q87.2Confident79.8Confident91 Ų9172 Ų7243%0.42539%0.391SS..Hα-helixtrans-60-50.1176.2-174.1-176.525.400111.4M291 K292 V293 V297 T298 Q299M291-Q295 WeakPolarHBondContact O-CB 3.44Å; M291-Q295 PolarHBondContact O-N 3.18Å; K292-Q295 PolarHBondContact O-N 3.47Å; V293-Q295 PolarHBondContact O-N 3.32Å; Q295-V297 PolarHBondContact O-N 2.9Å; Q295-T298 PolarHBondContact O-N 3.4Å; Q295-Q299 WeakPolarHBondContact O-CB 3.43Å; Q295-Q299 VanDerWaalsContact O-CG 3.28Å; Q295-Q299 WeakPolarHBondContact O-CG 3.37Å; Q295-Q299 PolarHBondContact O-N 2.96Å
296V87.8Confident81.4Confident0 Ų067.8 Ų67.80%037%0.374CS..Hα-helixtrans-61.8-45.1-178.7167.30000111.2L254 M258 Y279 K292 V293 T298 Q299 L300L254-V296 HydrophobicContact CB-CG1 3.56Å; L254-V296 HydrophobicContact CD1-CG1 4.1Å; L254-V296 HydrophobicContact CG-CG1 4.45Å; M258-V296 HydrophobicContact CE-CB 4.22Å; M258-V296 HydrophobicContact CE-CG1 3.96Å; M258-V296 HydrophobicContact CE-CG2 4Å; Y279-V296 HydrophobicContact CE1-CB 4.39Å; Y279-V296 HydrophobicContact CE1-CG1 4.16Å; K292-V296 VanDerWaalsContact O-CG2 3.26Å; K292-V296 WeakPolarHBondContact O-CG2 3.41Å; K292-V296 PolarHBondContact O-N 3.44Å; V293-V296 PolarHBondContact O-N 3.18Å; V296-T298 PolarHBondContact O-N 3.39Å; V296-Q299 PolarHBondContact O-N 2.94Å; V296-L300 HydrophobicContact CG1-CD1 3.95Å; V296-L300 HydrophobicContact CG1-CG 4.46Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.45Å; V296-L300 PolarHBondContact O-N 3.29Å
297V86.9Confident83.2Confident6 Ų665.2 Ų65.24%0.03634%0.342CS..Hα-helixtrans-57.6-51.6176.4162.80000111.2V276 Y279 K280 V293 Q295 Q299 L300 E301V276-V297 HydrophobicContact CG1-CG1 4.35Å; V276-V297 HydrophobicContact CG1-CG2 4.19Å; Y279-V297 HydrophobicContact CD1-CG2 3.81Å; Y279-V297 HydrophobicContact CE1-CG2 4.02Å; K280-V297 HydrophobicContact CD-CG1 4.39Å; K280-V297 HydrophobicContact CG-CG2 3.91Å; V293-V297 VanDerWaalsContact O-CG2 3.3Å; V293-V297 WeakPolarHBondContact O-CG2 3.49Å; V293-V297 PolarHBondContact O-N 2.9Å; Q295-V297 PolarHBondContact O-N 2.9Å; V297-Q299 PolarHBondContact O-N 3.4Å; V297-L300 PolarHBondContact O-N 3.08Å; V297-L300 VanDerWaalsContact O-N 3.17Å; V297-E301 HydrophobicContact CG1-CG 4.48Å; V297-E301 WeakPolarHBondContact O-CG 3.39Å; V297-E301 PolarHBondContact O-N 3.45Å
298T88.2Confident84.7Confident63 Ų6367.7 Ų67.739%0.38736%0.358SS..Hα-helixtrans-60.3-40.8-175.8-56.50000110.3E294 Q295 V296 E301 Q302E294-T298 WeakPolarHBondContact O-CB 3.23Å; E294-T298 PolarHBondContact O-N 2.93Å; E294-T298 PolarHBondContact O-OG1 3.41Å; Q295-T298 PolarHBondContact O-N 3.4Å; V296-T298 PolarHBondContact O-N 3.39Å; T298-E301 PolarHBondContact O-N 3.05Å; T298-Q302 HydrophobicContact CG2-CG 4.47Å; T298-Q302 WeakPolarHBondContact O-CB 3.43Å; T298-Q302 VanDerWaalsContact O-CG 3.24Å; T298-Q302 WeakPolarHBondContact O-CG 3.46Å; T298-Q302 PolarHBondContact O-N 3.36Å
299Q88.6Confident85.8Confident76 Ų7664 Ų6436%0.35533%0.33SS..Hα-helixtrans-66.3-42177-72.2175.6-16.100112.6M258 Q295 V296 V297 E301 Q302 A303M258-Q299 HydrophobicContact CE-CB 4.32Å; M258-Q299 VanDerWaalsContact CE-OE1 3.27Å; M258-Q299 HydrophobicContact SD-CB 3.37Å; M258-Q299 WeakPolarHBondContact SD-CB 3.46Å; M258-Q299 HydrophobicContact SD-CG 4.46Å; Q295-Q299 WeakPolarHBondContact O-CB 3.43Å; Q295-Q299 VanDerWaalsContact O-CG 3.28Å; Q295-Q299 WeakPolarHBondContact O-CG 3.37Å; Q295-Q299 PolarHBondContact O-N 2.96Å; V296-Q299 PolarHBondContact O-N 2.94Å; V297-Q299 PolarHBondContact O-N 3.4Å; Q299-E301 VanDerWaalsContact C-N 3.34Å; Q299-E301 PolarHBondContact O-N 2.84Å; Q299-Q302 PolarHBondContact O-N 3.47Å; Q299-A303 WeakPolarHBondContact O-CB 3.31Å; Q299-A303 PolarHBondContact O-N 3.42Å
300L89.5Confident86.9Confident0 Ų063.1 Ų63.10%033%0.33CS..Hα-helixtrans-62.8-41.2175.8-71.8168.9000112L254 M258 F271 V296 V297 A303 G304 Q305 V306L254-L300 HydrophobicContact CB-CD1 4.42Å; L254-L300 HydrophobicContact CD2-CD1 3.97Å; M258-L300 HydrophobicContact CG-CD2 3.76Å; M258-L300 HydrophobicContact CG-CG 4.36Å; M258-L300 HydrophobicContact SD-CD2 4.04Å; M258-L300 HydrophobicContact SD-CG 3.96Å; F271-L300 HydrophobicContact CD2-CD1 4.47Å; F271-L300 HydrophobicContact CD2-CD2 4.03Å; F271-L300 HydrophobicContact CE2-CD2 4.13Å; V296-L300 HydrophobicContact CG1-CD1 3.95Å; V296-L300 HydrophobicContact CG1-CG 4.46Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.45Å; V296-L300 PolarHBondContact O-N 3.29Å; V297-L300 PolarHBondContact O-N 3.08Å; V297-L300 VanDerWaalsContact O-N 3.17Å; L300-A303 PolarHBondContact O-N 3.05Å; L300-G304 PolarHBondContact O-N 3.35Å; L300-Q305 HydrophobicContact CD2-CB 3.92Å; L300-Q305 PolarHBondContact O-N 3.35Å; L300-V306 HydrophobicContact CB-CG2 3.93Å
301E89.4Confident87.7Confident94 Ų9458.7 Ų58.744%0.43931%0.312SS..Hα-helixtrans-65.4-47.5177.1-71.7174.3177.200110.9K280 V297 T298 Q299 A303 G304 V306K280-E301 IonicContact NZ-OE1 2.79Å; K280-E301 PolarHBondContact NZ-OE1 2.76Å; V297-E301 HydrophobicContact CG1-CG 4.48Å; V297-E301 WeakPolarHBondContact O-CG 3.39Å; V297-E301 PolarHBondContact O-N 3.45Å; T298-E301 PolarHBondContact O-N 3.05Å; Q299-E301 VanDerWaalsContact C-N 3.34Å; Q299-E301 PolarHBondContact O-N 2.84Å; E301-A303 VanDerWaalsContact C-N 3.31Å; E301-A303 PolarHBondContact O-N 2.82Å; E301-G304 PolarHBondContact O-N 2.84Å; E301-G304 VanDerWaalsContact O-N 3.14Å; E301-V306 HydrophobicContact CG-CG2 3.96Å
302Q88.6Confident88.4Confident157 Ų15752.2 Ų52.273%0.73428%0.28SS*.Hα-helixtrans-62.9-34.8176.5-73.9173.8-600113T298 Q299 G304T298-Q302 HydrophobicContact CG2-CG 4.47Å; T298-Q302 WeakPolarHBondContact O-CB 3.43Å; T298-Q302 VanDerWaalsContact O-CG 3.24Å; T298-Q302 WeakPolarHBondContact O-CG 3.46Å; T298-Q302 PolarHBondContact O-N 3.36Å; Q299-Q302 PolarHBondContact O-N 3.47Å; Q302-G304 PolarHBondContact O-N 2.91Å
303A86.8Confident88.8Confident55 Ų5550.9 Ų50.946%0.45528%0.277SS..THydrogen-bonded Turntrans-79.2-1.9178.100000113.7Q299 L300 E301 Q305Q299-A303 WeakPolarHBondContact O-CB 3.31Å; Q299-A303 PolarHBondContact O-N 3.42Å; L300-A303 PolarHBondContact O-N 3.05Å; E301-A303 VanDerWaalsContact C-N 3.31Å; E301-A303 PolarHBondContact O-N 2.82Å; A303-Q305 HydrophobicContact CB-CG 4.02Å; A303-Q305 PolarHBondContact O-N 3.39Å
304G86.8Confident89.1Confident55 Ų5551.5 Ų51.557%0.56728%0.28SS*.THydrogen-bonded Turntrans6620.7-176.200000113.8L300 E301 Q302 V306L300-G304 PolarHBondContact O-N 3.35Å; E301-G304 PolarHBondContact O-N 2.84Å; E301-G304 VanDerWaalsContact O-N 3.14Å; Q302-G304 PolarHBondContact O-N 2.91Å; G304-V306 VanDerWaalsContact C-N 3.26Å; G304-V306 PolarHBondContact O-N 3.31Å
305Q90.2Very high89.5Confident5 Ų548 Ų482%0.02326%0.264CS..  trans-85.96-179.1-68.6-177.3-106.800112.7A257 K268 P269 E270 F271 L300 A303A257-Q305 PolarHBondContact O-NE2 3.13Å; K268-Q305 HydrophobicContact CB-CG 4.35Å; P269-Q305 PolarHBondContact O-NE2 3.38Å; E270-Q305 CarbonylContact C-O 3.56Å; E270-Q305 WeakPolarHBondContact CA-O 3.21Å; F271-Q305 PolarHBondContact N-O 3.07Å; L300-Q305 HydrophobicContact CD2-CB 3.92Å; L300-Q305 PolarHBondContact O-N 3.35Å; A303-Q305 HydrophobicContact CB-CG 4.02Å; A303-Q305 PolarHBondContact O-N 3.39Å
306V91.4Very high89.6Confident32 Ų3243.8 Ų43.819%0.19424%0.244CC..EExtended strand (participates in β ladder)trans-106.9126.8177-1740000109.9F271 K273 V276 L300 E301 G304F271-V306 CarbonylContact O-C 3.53Å; F271-V306 WeakPolarHBondContact O-CA 3.44Å; K273-V306 HydrophobicContact CB-CG1 4.27Å; V276-V306 HydrophobicContact CG2-CG1 4.25Å; V276-V306 HydrophobicContact CG2-CG2 4.11Å; L300-V306 HydrophobicContact CB-CG2 3.93Å; E301-V306 HydrophobicContact CG-CG2 3.96Å; G304-V306 VanDerWaalsContact C-N 3.26Å; G304-V306 PolarHBondContact O-N 3.31Å
307T91.5Very high89.4Confident22 Ų2250.7 Ų50.714%0.13527%0.27CS..EExtended strand (participates in β ladder)trans-114.5149-176.164.10000111.6K231 E270 F271 K273 E309K231-T307 PolarHBondContact NZ-OG1 3.45Å; K231-T307 VanDerWaalsContact NZ-OG1 3.09Å; E270-T307 HydrophobicContact CB-CG2 3.84Å; E270-T307 HydrophobicContact CG-CG2 4.02Å; E270-T307 WeakPolarHBondContact OE2-CG2 3.47Å; F271-T307 PolarHBondContact O-N 3.15Å; F271-T307 PolarHBondContact O-OG1 2.89Å; K273-T307 PolarHBondContact N-O 3.28Å; T307-E309 PolarHBondContact O-N 3.26Å
308Q89.8Confident88.5Confident146 Ų14652.8 Ų52.868%0.68228%0.283SS*.SBendtrans-79.3-7.4177.3-58.4-58-40.600113.1
309E88.6Confident87.4Confident43 Ų4352.3 Ų52.320%0.20128%0.281CS..  trans-70.5126.9178-167177.4-15100109.4K231 S272 T307 D313 M314 R317K231-E309 IonicContact NZ-OE2 2.75Å; K231-E309 PolarHBondContact NZ-OE2 3.16Å; S272-E309 WeakPolarHBondContact CB-O 3.15Å; S272-E309 PolarHBondContact OG-O 3.15Å; T307-E309 PolarHBondContact O-N 3.26Å; E309-D313 HydrophobicContact CG-CB 3.64Å; E309-M314 HydrophobicContact CB-CE 4.02Å; E309-M314 HydrophobicContact CB-CG 4.44Å; E309-M314 HydrophobicContact CG-CE 4.27Å; E309-M314 HydrophobicContact CG-CG 3.68Å; E309-M314 VanDerWaalsContact O-CE 3.29Å; E309-M314 WeakPolarHBondContact O-CE 3.44Å; E309-R317 IonicContact OE1-CZ 3.29Å; E309-R317 IonicContact OE1-NH1 2.71Å; E309-R317 PolarHBondContact OE1-NH1 2.77Å; E309-R317 IonicContact OE2-NH1 3.76Å
310T91.5Very high85.7Confident50 Ų5054.9 Ų54.931%0.30730%0.302SS..  trans-75.8164.717765.70000111.2D312 D313 M314T310-D312 PolarHBondContact O-N 3.32Å; T310-D313 PolarHBondContact N-OD2 2.83Å; T310-D313 PolarHBondContact O-N 3.21Å; T310-D313 WeakPolarHBondContact OG1-CB 3.24Å; T310-D313 PolarHBondContact OG1-N 3.3Å; T310-D313 PolarHBondContact OG1-OD2 3.26Å; T310-M314 WeakPolarHBondContact O-CG 3.04Å; T310-M314 PolarHBondContact O-N 3.07Å
311L91.7Very high83.9Confident10 Ų1056.3 Ų56.35%0.05232%0.317CS..Hα-helixtrans-61.4-35.8173.1-63.2-178.5000111.7N235 F236 M239 E274 V275 M314 L315N235-L311 HydrophobicContact CB-CD2 3.54Å; F236-L311 HydrophobicContact CE1-CD1 4.2Å; M239-L311 HydrophobicContact CE-CD1 4.14Å; E274-L311 PolarHBondContact OE2-N 3.2Å; E274-L311 VanDerWaalsContact OE2-N 3.14Å; V275-L311 HydrophobicContact CG2-CD1 3.91Å; V275-L311 HydrophobicContact CG2-CD2 3.79Å; V275-L311 HydrophobicContact CG2-CG 4.08Å; L311-M314 PolarHBondContact O-N 3.44Å; L311-L315 WeakPolarHBondContact O-CB 3.46Å; L311-L315 WeakPolarHBondContact O-CG 3.47Å; L311-L315 PolarHBondContact O-N 3.03Å
312D92.4Very high81.4Confident24 Ų2461.3 Ų61.313%0.12834%0.337CS..Hα-helixtrans-63.5-41.5175.8-170.194.8000111.7Y172 K173 R211 T310 L315 C316Y172-D312 VanDerWaalsContact CE1-OD1 3.28Å; Y172-D312 WeakPolarHBondContact CE1-OD1 3.25Å; Y172-D312 PolarHBondContact OH-OD1 3.38Å; K173-D312 IonicContact NZ-OD1 3.83Å; K173-D312 PolarHBondContact NZ-OD1 2.95Å; K173-D312 IonicContact NZ-OD2 3.97Å; K173-D312 PolarHBondContact NZ-OD2 3.33Å; R211-D312 IonicContact NH2-OD1 3Å; R211-D312 PolarHBondContact NH2-OD1 3.41Å; R211-D312 VanDerWaalsContact NH2-OD1 3.07Å; T310-D312 PolarHBondContact O-N 3.32Å; D312-L315 PolarHBondContact O-N 3.32Å; D312-C316 VanDerWaalsContact O-CB 3.3Å; D312-C316 WeakPolarHBondContact O-CB 3.29Å; D312-C316 PolarHBondContact O-N 3.38Å; D312-C316 PolarHBondContact O-SG 3.17Å
313D90.4Very high79Confident62 Ų6264.7 Ų64.733%0.33234%0.343SS..Hα-helixtrans-65-43.2175.8-67.3-46.9000111.9E309 T310 C316 R317E309-D313 HydrophobicContact CG-CB 3.64Å; T310-D313 PolarHBondContact N-OD2 2.83Å; T310-D313 PolarHBondContact O-N 3.21Å; T310-D313 WeakPolarHBondContact OG1-CB 3.24Å; T310-D313 PolarHBondContact OG1-N 3.3Å; T310-D313 PolarHBondContact OG1-OD2 3.26Å; D313-C316 PolarHBondContact O-N 3.05Å; D313-R317 PolarHBondContact O-N 2.99Å
314M90.6Very high76.4Confident18 Ų1870.7 Ų70.79%0.08936%0.359CS..Hα-helixtrans-63.2-42.5176.6-65.5-177.6-155.500111.6K231 L232 E309 T310 L311K231-M314 HydrophobicContact CD-CE 4.45Å; K231-M314 HydrophobicContact CD-SD 4.23Å; K231-M314 VanDerWaalsContact CE-CE 3.46Å; K231-M314 HydrophobicContact CG-SD 4.22Å; L232-M314 HydrophobicContact CD1-CB 3.84Å; L232-M314 HydrophobicContact CD1-SD 4.5Å; E309-M314 HydrophobicContact CB-CE 4.02Å; E309-M314 HydrophobicContact CB-CG 4.44Å; E309-M314 HydrophobicContact CG-CE 4.27Å; E309-M314 HydrophobicContact CG-CG 3.68Å; E309-M314 VanDerWaalsContact O-CE 3.29Å; E309-M314 WeakPolarHBondContact O-CE 3.44Å; T310-M314 WeakPolarHBondContact O-CG 3.04Å; T310-M314 PolarHBondContact O-N 3.07Å; L311-M314 PolarHBondContact O-N 3.44Å
315L91.3Very high73.8Confident0 Ų073.6 Ų73.60%037%0.368CS..Hα-helixtrans-64.5-45.5176.1-84.3169000112Y172 H200 C203 F204 A207 L232 F236 L311 D312 R317Y172-L315 HydrophobicContact CE1-CD1 3.84Å; Y172-L315 HydrophobicContact CE2-CD1 4.08Å; Y172-L315 WeakPolarHBondContact OH-CD1 3.46Å; H200-L315 PolarHBondContact CE1-O 3.42Å; H200-L315 PolarHBondContact NE2-O 3.19Å; C203-L315 HydrophobicContact CB-CD2 3.86Å; F204-L315 HydrophobicContact CD1-CB 4.31Å; F204-L315 HydrophobicContact CD1-CD1 4.19Å; F204-L315 HydrophobicContact CD1-CD2 3.81Å; F204-L315 HydrophobicContact CD1-CG 4.36Å; F204-L315 HydrophobicContact CD2-CD2 4.34Å; F204-L315 HydrophobicContact CE1-CB 3.71Å; F204-L315 HydrophobicContact CE1-CD1 4.28Å; F204-L315 HydrophobicContact CE1-CD2 4.01Å; F204-L315 HydrophobicContact CE1-CG 4.24Å; F204-L315 HydrophobicContact CG-CD2 3.98Å; F204-L315 HydrophobicContact CZ-CB 3.98Å; F204-L315 HydrophobicContact CZ-CD2 4.35Å; F204-L315 VanDerWaalsContact CZ-O 3.26Å; F204-L315 WeakPolarHBondContact CZ-O 3.21Å; A207-L315 HydrophobicContact CB-CD1 3.59Å; L232-L315 HydrophobicContact CD1-CG 4.23Å; L232-L315 HydrophobicContact CD2-CD2 3.86Å; L232-L315 HydrophobicContact CD2-CG 4.28Å; F236-L315 HydrophobicContact CE2-CD2 4.08Å; F236-L315 HydrophobicContact CE2-CG 4.4Å; F236-L315 HydrophobicContact CZ-CD1 3.89Å; F236-L315 HydrophobicContact CZ-CD2 4.06Å; F236-L315 HydrophobicContact CZ-CG 4.01Å; L311-L315 WeakPolarHBondContact O-CB 3.46Å; L311-L315 WeakPolarHBondContact O-CG 3.47Å; L311-L315 PolarHBondContact O-N 3.03Å; D312-L315 PolarHBondContact O-N 3.32Å; L315-R317 PolarHBondContact O-N 3.23Å
316C89.4Confident71.1Confident2 Ų279.6 Ų79.61%0.01440%0.404CS..THydrogen-bonded Turntrans-85.613.7-174.1-600000113.1R3 K173 D312 D313R3-C316 CarbonylContact C-O 3.54Å; R3-C316 VanDerWaalsContact CA-O 3.23Å; R3-C316 WeakPolarHBondContact CA-O 3.38Å; R3-C316 HydrophobicContact CB-CB 4.24Å; R3-C316 HydrophobicContact CG-CB 4.06Å; K173-C316 WeakPolarHBondContact CE-SG 3.41Å; K173-C316 PolarHBondContact NZ-SG 2.98Å; K173-C316 VanDerWaalsContact NZ-SG 3.4Å; D312-C316 VanDerWaalsContact O-CB 3.3Å; D312-C316 WeakPolarHBondContact O-CB 3.29Å; D312-C316 PolarHBondContact O-N 3.38Å; D312-C316 PolarHBondContact O-SG 3.17Å; D313-C316 PolarHBondContact O-N 3.05Å
317R83Confident68.3Low144 Ų14485.2 Ų85.254%0.54343%0.432SS..SBendtrans-85.1145.4177.5-161169.3-172.1163.9-1.5110.8H4 E309 D313 L315 P319H4-R317 CarbonylContact O-C 3.45Å; E309-R317 IonicContact OE1-CZ 3.29Å; E309-R317 IonicContact OE1-NH1 2.71Å; E309-R317 PolarHBondContact OE1-NH1 2.77Å; E309-R317 IonicContact OE2-NH1 3.76Å; D313-R317 PolarHBondContact O-N 2.99Å; L315-R317 PolarHBondContact O-N 3.23Å; R317-P319 WeakPolarHBondContact O-CD 3.39Å
318V69.4Low65.4Low50 Ų5091.7 Ų91.730%0.30346%0.463SS..PPolyproline II helixtrans-57.8126.6174.5-161.20000109.5H4 T320H4-V318 HydrophobicContact CB-CG1 4.35Å; H4-V318 HydrophobicContact CB-CG2 3.68Å; H4-V318 WeakPolarHBondContact O-CA 3.46Å; H4-V318 WeakPolarHBondContact O-CG2 3.49Å; H4-V318 PolarHBondContact O-N 3.32Å; V318-T320 PolarHBondContact O-N 2.81Å; V318-T320 VanDerWaalsContact O-N 3.15Å
319P63.8Low62.6Low54 Ų5493.2 Ų93.235%0.35147%0.47SS..PPolyproline II helixtrans-53.3125.3167.8-22.432000108L5 R317 G321L5-P319 WeakPolarHBondContact O-CD 3.46Å; R317-P319 WeakPolarHBondContact O-CD 3.39Å; P319-G321 PolarHBondContact O-N 3.41Å
320T54.6Low59.8Low129 Ų12996.9 Ų96.979%0.79150%0.495SS*.  trans-67.287.3172.9470000108.2V318V318-T320 PolarHBondContact O-N 2.81Å; V318-T320 VanDerWaalsContact O-N 3.15Å
321G49.9Very low57.1Low30 Ų30100.5 Ų100.531%0.30952%0.517SS..  trans-59.3162160.100000109.5P319 R323P319-G321 PolarHBondContact O-N 3.41Å; G321-R323 VanDerWaalsContact C-N 3.31Å; G321-R323 PolarHBondContact O-N 3.01Å
322K38.2Very low54.2Low200 Ų200110.7 Ų110.787%0.8755%0.554SS**  trans-57.395.1176.2-67.6-178.9179.6-179.30108.3K324K322-K324 PolarHBondContact O-N 3.41Å
323R37.1Very low51.5Low227 Ų227120.8 Ų120.886%0.85759%0.591SS**  trans-57.6112.2174.8-78.7-178.1174.3-179.5-2.9107.1G321G321-R323 VanDerWaalsContact C-N 3.31Å; G321-R323 PolarHBondContact O-N 3.01Å
324K33.4Very low48.8Very low181 Ų181124.5 Ų124.579%0.78762%0.616SS**  trans-65.1133.5158.9-73.9-175.5179.71780106.9K322 V326K322-K324 PolarHBondContact O-N 3.41Å; K324-V326 PolarHBondContact O-N 3.49Å
325P31.5Very low46Very low117 Ų117129 Ų12976%0.7665%0.649SS**  trans-58.4128.9176.722.5-30000108.8I327P325-I327 PolarHBondContact O-N 3Å; P325-I327 VanDerWaalsContact O-N 3.13Å
326V34.3Very low43.5Very low130 Ų130140.1 Ų140.179%0.78869%0.691SS**  trans-65.4111.1174.1176.90000106.9K324 M328K324-V326 PolarHBondContact O-N 3.49Å; V326-M328 PolarHBondContact O-N 3.09Å; V326-M328 VanDerWaalsContact O-N 3.14Å
327I32.9Very low41Very low151 Ų151155.3 Ų155.377%0.77475%0.748SS**  trans-72.8102.9166-60.8173.7000105.4P325 E329P325-I327 PolarHBondContact O-N 3Å; P325-I327 VanDerWaalsContact O-N 3.13Å; I327-E329 PolarHBondContact O-N 3.07Å; I327-E329 VanDerWaalsContact O-N 3.1Å
328M29.4Very low38.9Very low158 Ų158155.9 Ų155.978%0.77876%0.758SS**  trans-66.1104.5165.7-87.2172.853.700107.6V326 V330V326-M328 PolarHBondContact O-N 3.09Å; V326-M328 VanDerWaalsContact O-N 3.14Å; M328-V330 PolarHBondContact O-N 3.04Å
329E31Very low37.3Very low177 Ų177161.4 Ų161.483%0.82778%0.782SS**  trans-62.1108.1162.1-80.5-175.7157.900108I327 V331I327-E329 PolarHBondContact O-N 3.07Å; I327-E329 VanDerWaalsContact O-N 3.1Å; E329-V331 PolarHBondContact O-N 3.06Å
330V30.8Very low35.8Very low121 Ų121167.4 Ų167.473%0.73381%0.806SS**  trans-62.3103168.6175.50000106.8M328 R332M328-V330 PolarHBondContact O-N 3.04Å; V330-R332 VanDerWaalsContact C-N 3.32Å; V330-R332 PolarHBondContact O-N 3.35Å
331V33.7Very low34.7Very low126 Ų126169.6 Ų169.676%0.76481%0.807SS**  trans-5899.7164.8177.10000106.9E329 R333E329-V331 PolarHBondContact O-N 3.06Å; V331-R333 PolarHBondContact O-N 2.99Å
332R32.1Very low33.8Very low224 Ų224178.4 Ų178.485%0.84584%0.838SS**  trans-63.6100.3167.6-81.7-177.7173.9165.7-1.3107.2V330 T334V330-R332 VanDerWaalsContact C-N 3.32Å; V330-R332 PolarHBondContact O-N 3.35Å; R332-T334 PolarHBondContact O-N 2.88Å
333R35Very low33.5Very low235 Ų235176.9 Ų176.989%0.88784%0.836SS**  trans-60.9102.5159.9-76.2179.4170.1173.7-3.3107.4V331 S335V331-R333 PolarHBondContact O-N 2.99Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 3.17Å
334T33.6Very low33.2Very low141 Ų141173.4 Ų173.487%0.86583%0.834SS**  trans-68.893.7161.230.60000107.8R332R332-T334 PolarHBondContact O-N 2.88Å
335S32.8Very low33.2Very low112 Ų112172.8 Ų172.878%0.78384%0.838SS**  trans-76.8125.5164.5-177.70000108.6R333R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 3.17Å
336R37.9Very low33.4Very low234 Ų234177.4 Ų177.488%0.88385%0.845SS**  trans-48137.9168.6-64.7171.2175.3173.7-3.6111.4
337R37.3Very low33.3Very low320 Ų320181.7 Ų181.7100%1.20885%0.85SS**  trans-146.80137.7-104.8-175.7-177.3-176.10.2108.7

Retrieved 337 of 337 residues in 68.8 ms (Link to these results)

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