A0A077Z4S7_TRITR Loading...

Prenyltrans 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4S7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M94.4Very high97.5Very high91 Ų9139.6 Ų39.645%0.44821%0.206SC..  0-60.80-167.955.875.200112F3 V4 L5 I25 W28M1-F3 PolarHBondContact O-N 3.21Å; M1-V4 WeakPolarHBondContact O-CB 3.33Å; M1-V4 PolarHBondContact O-N 2.76Å; M1-L5 HydrophobicContact CG-CD1 3.65Å; M1-L5 HydrophobicContact CG-CG 4.08Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 HydrophobicContact SD-CD1 3.99Å; M1-L5 HydrophobicContact SD-CD2 4.31Å; M1-L5 HydrophobicContact SD-CG 3.89Å; M1-I25 HydrophobicContact CE-CG2 4.19Å; M1-I25 HydrophobicContact CG-CG2 4.38Å; M1-I25 HydrophobicContact SD-CG2 4.07Å; M1-W28 HydrophobicContact CB-CH2 4.08Å; M1-W28 HydrophobicContact CB-CZ3 3.64Å; M1-W28 HydrophobicContact CE-CE3 3.78Å; M1-W28 HydrophobicContact CE-CH2 3.99Å; M1-W28 HydrophobicContact CE-CZ3 3.45Å; M1-W28 VanDerWaalsContact CE-CZ3 3.45Å; M1-W28 HydrophobicContact CG-CE3 4.45Å; M1-W28 HydrophobicContact CG-CZ3 3.72Å; M1-W28 HydrophobicContact SD-CZ3 4.44Å
2Y98Very high97.4Very high13 Ų1341.2 Ų41.25%0.05124%0.239CC..Hα-helixtrans-47.7-50.2-178.3167.7-113.4000114.9V4 L5 S6 Y75 M79 S80 I83 Y274 N296 V297Y2-V4 VanDerWaalsContact C-N 3.27Å; Y2-V4 PolarHBondContact O-N 3.33Å; Y2-L5 PolarHBondContact O-N 3.02Å; Y2-S6 WeakPolarHBondContact O-CB 3.38Å; Y2-S6 PolarHBondContact O-N 3.25Å; Y2-Y75 HydrophobicContact CE1-CE1 4.39Å; Y2-Y75 PolarHBondContact OH-OH 3Å; Y2-M79 HydrophobicContact CD2-CB 3.89Å; Y2-M79 HydrophobicContact CE2-CB 3.57Å; Y2-M79 HydrophobicContact CE2-CG 4.25Å; Y2-S80 WeakPolarHBondContact CA-OG 3.2Å; Y2-I83 HydrophobicContact CD2-CD1 4.45Å; Y2-I83 HydrophobicContact CE2-CD1 4.41Å; Y2-Y274 HydrophobicContact CE1-CE1 4.02Å; Y2-Y274 PolarHBondContact OH-OH 3.35Å; Y2-Y274 VanDerWaalsContact OH-OH 3.09Å; Y2-N296 WeakPolarHBondContact OH-CB 3.35Å; Y2-N296 VanDerWaalsContact OH-CG 3.32Å; Y2-N296 PolarHBondContact OH-ND2 2.66Å; Y2-N296 VanDerWaalsContact OH-ND2 3.17Å; Y2-N296 PolarHBondContact OH-O 3.07Å; Y2-V297 HydrophobicContact CE2-CG1 4.25Å
3F98.3Very high97.4Very high68 Ų6839.6 Ų39.630%0.29823%0.234SC..Hα-helixtrans-59.2-35.3178.3-61.7-32.4000113.8M1 G7 L270 L271 Y274M1-F3 PolarHBondContact O-N 3.21Å; F3-G7 PolarHBondContact O-N 3.3Å; F3-L270 HydrophobicContact CB-CB 4.46Å; F3-L271 HydrophobicContact CD2-CB 4.13Å; F3-L271 HydrophobicContact CE2-CB 3.79Å; F3-L271 HydrophobicContact CE2-CD1 4.01Å; F3-L271 HydrophobicContact CE2-CG 4Å; F3-L271 HydrophobicContact CZ-CB 4.45Å; F3-L271 HydrophobicContact CZ-CD1 4.18Å; F3-L271 HydrophobicContact CZ-CG 4.19Å; F3-Y274 HydrophobicContact CB-CD1 4.25Å; F3-Y274 HydrophobicContact CB-CG 4.09Å; F3-Y274 AromaticContact CD1-CD1 3.18Å; F3-Y274 HydrophobicContact CD1-CD1 3.18Å; F3-Y274 AromaticContact CD1-CE1 3.61Å; F3-Y274 HydrophobicContact CD1-CE1 3.61Å; F3-Y274 AromaticContact CD1-CG 3.89Å; F3-Y274 HydrophobicContact CD1-CG 3.89Å; F3-Y274 AromaticContact CE1-CD1 3.73Å; F3-Y274 HydrophobicContact CE1-CD1 3.73Å; F3-Y274 AromaticContact CE1-CE1 3.96Å; F3-Y274 HydrophobicContact CE1-CE1 3.96Å; F3-Y274 AromaticContact CG-CD1 3.98Å; F3-Y274 HydrophobicContact CG-CD1 3.98Å; F3-Y274 HydrophobicContact CG-CG 4.31Å
4V97.8Very high97.3Very high57 Ų5738.4 Ų38.435%0.34523%0.225SC..Hα-helixtrans-70.1-52.8177.5178.70000110M1 Y2 S6 G7 L8 L270M1-V4 WeakPolarHBondContact O-CB 3.33Å; M1-V4 PolarHBondContact O-N 2.76Å; Y2-V4 VanDerWaalsContact C-N 3.27Å; Y2-V4 PolarHBondContact O-N 3.33Å; V4-S6 PolarHBondContact O-N 3.11Å; V4-G7 PolarHBondContact O-N 2.82Å; V4-L8 HydrophobicContact CG1-CD1 4.09Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.18Å; V4-L270 HydrophobicContact CG2-CD1 3.92Å; V4-L270 HydrophobicContact CG2-CD2 3.92Å; V4-L270 HydrophobicContact CG2-CG 4.48Å
5L98.2Very high97.1Very high1 Ų142 Ų421%0.00525%0.254CS..Hα-helixtrans-62.5-46.9-178.9-65.6176.4000111.3M1 Y2 G7 L8 D9 I14 I17 I25 I29 I83 L84M1-L5 HydrophobicContact CG-CD1 3.65Å; M1-L5 HydrophobicContact CG-CG 4.08Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 HydrophobicContact SD-CD1 3.99Å; M1-L5 HydrophobicContact SD-CD2 4.31Å; M1-L5 HydrophobicContact SD-CG 3.89Å; Y2-L5 PolarHBondContact O-N 3.02Å; L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.29Å; L5-L8 PolarHBondContact O-N 2.95Å; L5-D9 WeakPolarHBondContact O-CB 3.47Å; L5-D9 PolarHBondContact O-N 3.12Å; L5-I14 HydrophobicContact CD2-CD1 4.42Å; L5-I14 WeakPolarHBondContact O-CD1 3.14Å; L5-I17 HydrophobicContact CD2-CD1 4Å; L5-I25 HydrophobicContact CD1-CG2 4.19Å; L5-I29 HydrophobicContact CD1-CD1 4.33Å; L5-I83 HydrophobicContact CB-CG2 4.18Å; L5-L84 HydrophobicContact CD1-CD1 3.78Å; L5-L84 HydrophobicContact CD1-CD2 4.49Å; L5-L84 HydrophobicContact CD1-CG 4.09Å; L5-L84 HydrophobicContact CD2-CD2 3.99Å; L5-L84 HydrophobicContact CD2-CG 4.47Å
6S98.2Very high97.1Very high0 Ų049.3 Ų49.30%028%0.284CS..Hα-helixtrans-69-31.3179.8-167.10000112.2Y2 V4 D9 I10 Y274Y2-S6 WeakPolarHBondContact O-CB 3.38Å; Y2-S6 PolarHBondContact O-N 3.25Å; V4-S6 PolarHBondContact O-N 3.11Å; S6-D9 PolarHBondContact O-N 3.46Å; S6-I10 VanDerWaalsContact O-CG1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.47Å; S6-I10 PolarHBondContact O-N 3.43Å; S6-Y274 WeakPolarHBondContact OG-CE2 3.49Å; S6-Y274 PolarHBondContact OG-OH 2.9Å; S6-Y274 VanDerWaalsContact OG-OH 3.11Å
7G98Very high97.1Very high8 Ų847.5 Ų47.58%0.08227%0.273CS..Hα-helixtrans-66.4-45.3171.900000112.1F3 V4 L5 D9 I10 L11F3-G7 PolarHBondContact O-N 3.3Å; V4-G7 PolarHBondContact O-N 2.82Å; L5-G7 VanDerWaalsContact C-N 3.31Å; L5-G7 PolarHBondContact O-N 3.29Å; G7-D9 VanDerWaalsContact C-N 3.3Å; G7-D9 PolarHBondContact O-N 2.8Å; G7-I10 PolarHBondContact O-N 3.21Å; G7-L11 VanDerWaalsContact O-CG 3.31Å; G7-L11 WeakPolarHBondContact O-CG 3.4Å; G7-L11 PolarHBondContact O-N 3.27Å
8L97.8Very high97.1Very high48 Ų4847.5 Ų47.525%0.25128%0.276SS..Hα-helixtrans-61.9-37.8173.8-69.9171.7000112V4 L5 L11 G12 A13 I14 I17V4-L8 HydrophobicContact CG1-CD1 4.09Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.18Å; L5-L8 PolarHBondContact O-N 2.95Å; L8-L11 CarbonylContact O-C 3.58Å; L8-L11 PolarHBondContact O-N 3.29Å; L8-G12 PolarHBondContact O-N 2.83Å; L8-G12 VanDerWaalsContact O-N 3.08Å; L8-A13 HydrophobicContact CB-CB 4.44Å; L8-A13 HydrophobicContact CD2-CB 3.78Å; L8-A13 PolarHBondContact O-N 2.96Å; L8-I14 HydrophobicContact CB-CD1 3.83Å; L8-I14 HydrophobicContact CB-CG1 4.22Å; L8-I17 HydrophobicContact CD1-CD1 3.78Å; L8-I17 HydrophobicContact CD1-CG1 4.28Å
9D97.9Very high97Very high23 Ų2349.6 Ų49.612%0.12329%0.291CS..Hα-helixtrans-64.9-42.5176.4-169.853000111.7L5 S6 G7 L11 G12 I14 I83 T298 R304L5-D9 WeakPolarHBondContact O-CB 3.47Å; L5-D9 PolarHBondContact O-N 3.12Å; S6-D9 PolarHBondContact O-N 3.46Å; G7-D9 VanDerWaalsContact C-N 3.3Å; G7-D9 PolarHBondContact O-N 2.8Å; D9-L11 VanDerWaalsContact C-N 3.29Å; D9-L11 PolarHBondContact O-N 3.34Å; D9-G12 PolarHBondContact O-N 2.85Å; D9-I14 HydrophobicContact CB-CD1 4.34Å; D9-I14 HydrophobicContact CB-CG1 3.78Å; D9-I83 HydrophobicContact CB-CG1 4.48Å; D9-I83 HydrophobicContact CB-CG2 3.75Å; D9-T298 HydrophobicContact CB-CG2 4.34Å; D9-T298 WeakPolarHBondContact OD2-CB 3.21Å; D9-T298 WeakPolarHBondContact OD2-CG2 3.37Å; D9-T298 PolarHBondContact OD2-OG1 2.93Å; D9-R304 IonicContact OD1-NH2 3.19Å
10I97.9Very high97.1Very high8 Ų850.3 Ų50.34%0.04130%0.299CS..Hα-helixtrans-59.1-41.7172.5-74.1167000111.1S6 G7 G12 Y274 I277 A278 C281 M288 P289 F291 T298S6-I10 VanDerWaalsContact O-CG1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.47Å; S6-I10 PolarHBondContact O-N 3.43Å; G7-I10 PolarHBondContact O-N 3.21Å; I10-G12 PolarHBondContact O-N 2.86Å; I10-Y274 HydrophobicContact CD1-CD2 4.25Å; I10-Y274 HydrophobicContact CD1-CE2 3.82Å; I10-I277 HydrophobicContact CB-CD1 4.44Å; I10-I277 HydrophobicContact CD1-CD1 4.34Å; I10-I277 HydrophobicContact CD1-CG1 4.09Å; I10-I277 HydrophobicContact CG2-CD1 4.22Å; I10-I277 HydrophobicContact CG2-CG1 4.37Å; I10-A278 HydrophobicContact CD1-CB 3.91Å; I10-C281 WeakPolarHBondContact CG2-SG 3.39Å; I10-M288 HydrophobicContact CG2-CE 3.93Å; I10-P289 HydrophobicContact CG2-CG 4.27Å; I10-P289 WeakPolarHBondContact O-CG 3.35Å; I10-F291 HydrophobicContact CD1-CD2 4.44Å; I10-F291 HydrophobicContact CD1-CE2 3.72Å; I10-F291 HydrophobicContact CD1-CZ 4.43Å; I10-F291 HydrophobicContact CG1-CD2 4.29Å; I10-F291 HydrophobicContact CG1-CE2 3.87Å; I10-T298 HydrophobicContact CG1-CG2 3.98Å
11L96.6Very high97.1Very high119 Ų11952.5 Ų52.562%0.62331%0.306SS*.THydrogen-bonded Turntrans-81.31.3-178.4-64173.6000113.6G7 L8 D9 A13G7-L11 VanDerWaalsContact O-CG 3.31Å; G7-L11 WeakPolarHBondContact O-CG 3.4Å; G7-L11 PolarHBondContact O-N 3.27Å; L8-L11 CarbonylContact O-C 3.58Å; L8-L11 PolarHBondContact O-N 3.29Å; D9-L11 VanDerWaalsContact C-N 3.29Å; D9-L11 PolarHBondContact O-N 3.34Å; L11-A13 HydrophobicContact CB-CB 4.34Å; L11-A13 PolarHBondContact O-N 3.04Å
12G96.5Very high97.3Very high58 Ų5850 Ų5060%0.59829%0.294SS*.THydrogen-bonded Turntrans66.817.3-175.600000114.1L8 D9 I10L8-G12 PolarHBondContact O-N 2.83Å; L8-G12 VanDerWaalsContact O-N 3.08Å; D9-G12 PolarHBondContact O-N 2.85Å; I10-G12 PolarHBondContact O-N 2.86Å
13A97.2Very high97.2Very high21 Ų2156.8 Ų56.817%0.17432%0.319CS..  trans-102.59.8-171.600000113.8L8 L11 S15 E16L8-A13 HydrophobicContact CB-CB 4.44Å; L8-A13 HydrophobicContact CD2-CB 3.78Å; L8-A13 PolarHBondContact O-N 2.96Å; L11-A13 HydrophobicContact CB-CB 4.34Å; L11-A13 PolarHBondContact O-N 3.04Å; A13-S15 PolarHBondContact O-N 2.81Å; A13-E16 HydrophobicContact CB-CG 4.11Å; A13-E16 VanDerWaalsContact O-CB 3.28Å; A13-E16 WeakPolarHBondContact O-CB 3.32Å; A13-E16 PolarHBondContact O-N 3.02Å; A13-E16 VanDerWaalsContact O-N 3.09Å
14I96.1Very high97.2Very high22 Ų2262.7 Ų62.711%0.11334%0.339CS..G310 helixtrans-59.7-33.4173.5-73.8-68.3000111.6L5 L8 D9 E16 I17 Q22 I83L5-I14 HydrophobicContact CD2-CD1 4.42Å; L5-I14 WeakPolarHBondContact O-CD1 3.14Å; L8-I14 HydrophobicContact CB-CD1 3.83Å; L8-I14 HydrophobicContact CB-CG1 4.22Å; D9-I14 HydrophobicContact CB-CD1 4.34Å; D9-I14 HydrophobicContact CB-CG1 3.78Å; I14-E16 PolarHBondContact O-N 3.22Å; I14-I17 PolarHBondContact O-N 2.67Å; I14-I17 VanDerWaalsContact O-N 3.13Å; I14-Q22 PolarHBondContact O-NE2 2.92Å; I14-Q22 VanDerWaalsContact O-NE2 3.08Å; I14-I83 HydrophobicContact CD1-CG2 3.58Å; I14-I83 HydrophobicContact CG1-CG2 3.99Å
15S94.5Very high97.2Very high93 Ų9361 Ų6165%0.6533%0.329SS*.G310 helixtrans-66.3-16.6176.949.60000114.1A13 I17A13-S15 PolarHBondContact O-N 2.81Å; S15-I17 PolarHBondContact O-N 3.08Å
16E96.2Very high97.2Very high159 Ų15961.8 Ų61.874%0.74333%0.333SS*.G310 helixtrans-71.2-21.9174-58.9-58.8142.600111.8A13 I14 S18A13-E16 HydrophobicContact CB-CG 4.11Å; A13-E16 VanDerWaalsContact O-CB 3.28Å; A13-E16 WeakPolarHBondContact O-CB 3.32Å; A13-E16 PolarHBondContact O-N 3.02Å; A13-E16 VanDerWaalsContact O-N 3.09Å; I14-E16 PolarHBondContact O-N 3.22Å; E16-S18 PolarHBondContact O-N 3.32Å
17I96.6Very high97.2Very high19 Ų1965.7 Ų65.710%0.09735%0.354CS..SBendtrans-81.2119171-51.9176000107.9L5 L8 I14 S15 E21 Q22 I25L5-I17 HydrophobicContact CD2-CD1 4Å; L8-I17 HydrophobicContact CD1-CD1 3.78Å; L8-I17 HydrophobicContact CD1-CG1 4.28Å; I14-I17 PolarHBondContact O-N 2.67Å; I14-I17 VanDerWaalsContact O-N 3.13Å; S15-I17 PolarHBondContact O-N 3.08Å; I17-E21 HydrophobicContact CG2-CB 3.76Å; I17-E21 HydrophobicContact CG2-CG 3.66Å; I17-Q22 HydrophobicContact CB-CG 3.81Å; I17-Q22 HydrophobicContact CG2-CB 4.48Å; I17-Q22 HydrophobicContact CG2-CG 3.55Å; I17-Q22 PolarHBondContact O-NE2 3.44Å; I17-I25 HydrophobicContact CD1-CD1 4.29Å; I17-I25 HydrophobicContact CG2-CD1 4.07Å
18S97.1Very high97.1Very high47 Ų4770.6 Ų70.633%0.32937%0.37SS..  trans-57.2148.4-179.769.80000112.1E16 S20 E21 Q22E16-S18 PolarHBondContact O-N 3.32Å; S18-S20 PolarHBondContact O-N 3.32Å; S18-S20 VanDerWaalsContact O-N 3.1Å; S18-S20 PolarHBondContact OG-OG 3.01Å; S18-E21 PolarHBondContact O-N 3.03Å; S18-E21 VanDerWaalsContact OG-CB 3.27Å; S18-E21 WeakPolarHBondContact OG-CB 3.43Å; S18-E21 PolarHBondContact OG-N 2.94Å; S18-Q22 PolarHBondContact O-N 3.35Å
19P97Very high97Very high87 Ų8768.6 Ų68.657%0.56536%0.359SS*.Hα-helixtrans-57.3-30179.8-28.435.5000114.5R23P19-R23 WeakPolarHBondContact O-CG 3.39Å; P19-R23 PolarHBondContact O-N 3.31Å; P19-R23 PolarHBondContact O-NH1 3.29Å
20S97.5Very high96.9Very high64 Ų6468 Ų6845%0.44836%0.356SS..Hα-helixtrans-70.4-39.9174.752.60000111.9S18 R23 R24S18-S20 PolarHBondContact O-N 3.32Å; S18-S20 VanDerWaalsContact O-N 3.1Å; S18-S20 PolarHBondContact OG-OG 3.01Å; S20-R23 PolarHBondContact O-N 3.21Å; S20-R24 WeakPolarHBondContact O-CG 3.43Å; S20-R24 PolarHBondContact O-N 2.95Å; S20-R24 VanDerWaalsContact O-N 3.08Å
21E97.5Very high96.7Very high96 Ų9670.4 Ų70.445%0.44937%0.373SS..Hα-helixtrans-70.6-40.9175.8-175172.5-161.300112I17 S18 R23 R24 I25I17-E21 HydrophobicContact CG2-CB 3.76Å; I17-E21 HydrophobicContact CG2-CG 3.66Å; S18-E21 PolarHBondContact O-N 3.03Å; S18-E21 VanDerWaalsContact OG-CB 3.27Å; S18-E21 WeakPolarHBondContact OG-CB 3.43Å; S18-E21 PolarHBondContact OG-N 2.94Å; E21-R23 VanDerWaalsContact C-N 3.29Å; E21-R23 PolarHBondContact O-N 3.15Å; E21-R24 WeakPolarHBondContact O-CB 3.3Å; E21-R24 PolarHBondContact O-N 2.85Å; E21-I25 HydrophobicContact CG-CD1 4.25Å; E21-I25 WeakPolarHBondContact O-CG1 3.48Å; E21-I25 PolarHBondContact O-N 3.34Å
22Q97.8Very high96.5Very high40 Ų4065.5 Ų65.519%0.18735%0.347CS..Hα-helixtrans-55.7-45.5172.3-67.9-173.126.300111.2I14 I17 S18 R24 I25 V26 L84I14-Q22 PolarHBondContact O-NE2 2.92Å; I14-Q22 VanDerWaalsContact O-NE2 3.08Å; I17-Q22 HydrophobicContact CB-CG 3.81Å; I17-Q22 HydrophobicContact CG2-CB 4.48Å; I17-Q22 HydrophobicContact CG2-CG 3.55Å; I17-Q22 PolarHBondContact O-NE2 3.44Å; S18-Q22 PolarHBondContact O-N 3.35Å; Q22-R24 PolarHBondContact O-N 3.09Å; Q22-I25 PolarHBondContact O-N 3.46Å; Q22-V26 WeakPolarHBondContact O-CG2 3.28Å; Q22-V26 PolarHBondContact O-N 3.31Å; Q22-L84 HydrophobicContact CB-CD2 4.26Å; Q22-L84 HydrophobicContact CG-CD2 4.16Å
23R97.4Very high96.4Very high155 Ų15563.2 Ų63.259%0.58532%0.32SS*.Hα-helixtrans-60.1-43174.3-76.2-170.8-63.3-89.45.2112.6P19 S20 E21 I25 V26 D27P19-R23 WeakPolarHBondContact O-CG 3.39Å; P19-R23 PolarHBondContact O-N 3.31Å; P19-R23 PolarHBondContact O-NH1 3.29Å; S20-R23 PolarHBondContact O-N 3.21Å; E21-R23 VanDerWaalsContact C-N 3.29Å; E21-R23 PolarHBondContact O-N 3.15Å; R23-I25 VanDerWaalsContact C-N 3.3Å; R23-I25 PolarHBondContact O-N 3.36Å; R23-V26 WeakPolarHBondContact O-CB 3.29Å; R23-V26 PolarHBondContact O-N 3.08Å; R23-D27 PolarHBondContact O-N 3.37Å
24R97.8Very high96.2Very high191 Ų19162.5 Ų62.572%0.72131%0.314SS*.Hα-helixtrans-61.3-38.3175.5-71.9171.963.8-178.8-0.3112.2S20 E21 Q22 D27 W28S20-R24 WeakPolarHBondContact O-CG 3.43Å; S20-R24 PolarHBondContact O-N 2.95Å; S20-R24 VanDerWaalsContact O-N 3.08Å; E21-R24 WeakPolarHBondContact O-CB 3.3Å; E21-R24 PolarHBondContact O-N 2.85Å; Q22-R24 PolarHBondContact O-N 3.09Å; R24-D27 PolarHBondContact O-N 2.95Å; R24-W28 VanDerWaalsContact O-CB 3.28Å; R24-W28 WeakPolarHBondContact O-CB 3.47Å; R24-W28 PolarHBondContact O-N 3.32Å
25I97.8Very high95.9Very high23 Ų2362.2 Ų62.212%0.11831%0.313CS..Hα-helixtrans-67.7-42.5175.7-63.2166.4000110.4M1 L5 I17 E21 Q22 R23 D27 W28 I29 L84M1-I25 HydrophobicContact CE-CG2 4.19Å; M1-I25 HydrophobicContact CG-CG2 4.38Å; M1-I25 HydrophobicContact SD-CG2 4.07Å; L5-I25 HydrophobicContact CD1-CG2 4.19Å; I17-I25 HydrophobicContact CD1-CD1 4.29Å; I17-I25 HydrophobicContact CG2-CD1 4.07Å; E21-I25 HydrophobicContact CG-CD1 4.25Å; E21-I25 WeakPolarHBondContact O-CG1 3.48Å; E21-I25 PolarHBondContact O-N 3.34Å; Q22-I25 PolarHBondContact O-N 3.46Å; R23-I25 VanDerWaalsContact C-N 3.3Å; R23-I25 PolarHBondContact O-N 3.36Å; I25-D27 PolarHBondContact O-N 3.1Å; I25-W28 PolarHBondContact O-N 2.89Å; I25-I29 HydrophobicContact CG2-CD1 3.99Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 VanDerWaalsContact O-CG1 3.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.47Å; I25-I29 PolarHBondContact O-N 3.33Å; I25-L84 HydrophobicContact CB-CD1 4.18Å; I25-L84 HydrophobicContact CG2-CD1 3.65Å
26V98.1Very high95.6Very high16 Ų1659.4 Ų59.410%0.09730%0.296CS..Hα-helixtrans-58.2-48173.8168.90000110.8Q22 R23 W28 I29 Y30 L81 L84Q22-V26 WeakPolarHBondContact O-CG2 3.28Å; Q22-V26 PolarHBondContact O-N 3.31Å; R23-V26 WeakPolarHBondContact O-CB 3.29Å; R23-V26 PolarHBondContact O-N 3.08Å; V26-W28 VanDerWaalsContact C-N 3.32Å; V26-W28 PolarHBondContact O-N 3.35Å; V26-I29 PolarHBondContact O-N 3.27Å; V26-Y30 HydrophobicContact CG1-CD2 3.73Å; V26-Y30 HydrophobicContact CG1-CE2 3.8Å; V26-Y30 WeakPolarHBondContact O-CD2 3.45Å; V26-Y30 PolarHBondContact O-N 3.48Å; V26-L81 HydrophobicContact CB-CD2 4.44Å; V26-L81 HydrophobicContact CG1-CD2 3.93Å; V26-L81 HydrophobicContact CG2-CD2 4.35Å; V26-L84 HydrophobicContact CG2-CB 3.87Å; V26-L84 HydrophobicContact CG2-CD1 3.75Å; V26-L84 HydrophobicContact CG2-CG 4.42Å
27D97.3Very high95.2Very high82 Ų8257 Ų5744%0.43930%0.297SS..Hα-helixtrans-61.2-40.8177.5-72.1-30.6000112.4R23 R24 I25 Y30 S31 R90R23-D27 PolarHBondContact O-N 3.37Å; R24-D27 PolarHBondContact O-N 2.95Å; I25-D27 PolarHBondContact O-N 3.1Å; D27-Y30 PolarHBondContact O-N 3.46Å; D27-S31 PolarHBondContact O-N 2.87Å; D27-R90 IonicContact OD1-CZ 2.55Å; D27-R90 IonicContact OD1-NH1 3.51Å; D27-R90 PolarHBondContact OD1-NH1 3.03Å; D27-R90 IonicContact OD1-NH2 3.56Å
28W96Very high94.6Very high111 Ų11161.8 Ų61.842%0.4232%0.319SS..Hα-helixtrans-66.1-37.2174.7178.978.7000112.7M1 R24 I25 V26 S31 F32M1-W28 HydrophobicContact CB-CH2 4.08Å; M1-W28 HydrophobicContact CB-CZ3 3.64Å; M1-W28 HydrophobicContact CE-CE3 3.78Å; M1-W28 HydrophobicContact CE-CH2 3.99Å; M1-W28 HydrophobicContact CE-CZ3 3.45Å; M1-W28 VanDerWaalsContact CE-CZ3 3.45Å; M1-W28 HydrophobicContact CG-CE3 4.45Å; M1-W28 HydrophobicContact CG-CZ3 3.72Å; M1-W28 HydrophobicContact SD-CZ3 4.44Å; R24-W28 VanDerWaalsContact O-CB 3.28Å; R24-W28 WeakPolarHBondContact O-CB 3.47Å; R24-W28 PolarHBondContact O-N 3.32Å; I25-W28 PolarHBondContact O-N 2.89Å; V26-W28 VanDerWaalsContact C-N 3.32Å; V26-W28 PolarHBondContact O-N 3.35Å; W28-S31 PolarHBondContact O-N 2.76Å; W28-S31 PolarHBondContact O-OG 3.13Å; W28-F32 AromaticContact CD2-CE2 3.61Å; W28-F32 HydrophobicContact CD2-CE2 3.61Å; W28-F32 HydrophobicContact CD2-CZ 4.2Å; W28-F32 AromaticContact CE2-CE2 3.35Å; W28-F32 AromaticContact CE2-CZ 3.47Å; W28-F32 VanDerWaalsContact CE2-CZ 3.47Å; W28-F32 AromaticContact CE3-CE2 3.85Å; W28-F32 HydrophobicContact CE3-CE2 3.85Å; W28-F32 HydrophobicContact CG-CE2 4.24Å; W28-F32 AromaticContact CH2-CE2 3.66Å; W28-F32 HydrophobicContact CH2-CE2 3.66Å; W28-F32 HydrophobicContact CH2-CZ 4.04Å; W28-F32 AromaticContact CZ2-CE2 3.42Å; W28-F32 HydrophobicContact CZ2-CE2 3.42Å; W28-F32 VanDerWaalsContact CZ2-CE2 3.42Å; W28-F32 AromaticContact CZ2-CZ 3.42Å; W28-F32 HydrophobicContact CZ2-CZ 3.42Å; W28-F32 VanDerWaalsContact CZ2-CZ 3.42Å; W28-F32 AromaticContact CZ3-CE2 3.84Å; W28-F32 HydrophobicContact CZ3-CE2 3.84Å; W28-F32 AromaticContact NE1-CE2 3.81Å; W28-F32 AromaticContact NE1-CZ 3.63Å; W28-F32 WeakPolarHBondContact O-CD2 3.44Å; W28-F32 WeakPolarHBondContact O-CE2 3.43Å
29I96.9Very high94Very high6 Ų662.9 Ų62.93%0.03134%0.337CS..Hα-helixtrans-64.5-46.1173.6-69.2162.6000109.7L5 I25 V26 S31 F32 F47 A77 L81 L84L5-I29 HydrophobicContact CD1-CD1 4.33Å; I25-I29 HydrophobicContact CG2-CD1 3.99Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 VanDerWaalsContact O-CG1 3.32Å; I25-I29 WeakPolarHBondContact O-CG1 3.47Å; I25-I29 PolarHBondContact O-N 3.33Å; V26-I29 PolarHBondContact O-N 3.27Å; I29-S31 VanDerWaalsContact C-N 3.26Å; I29-S31 PolarHBondContact O-N 3.11Å; I29-F32 PolarHBondContact O-N 2.87Å; I29-F32 VanDerWaalsContact O-N 3.12Å; I29-F47 HydrophobicContact CG2-CD1 4.32Å; I29-F47 HydrophobicContact CG2-CE1 3.86Å; I29-F47 WeakPolarHBondContact O-CD1 3.45Å; I29-F47 VanDerWaalsContact O-CE1 3.32Å; I29-F47 WeakPolarHBondContact O-CE1 3.41Å; I29-A77 HydrophobicContact CG2-CB 3.8Å; I29-L81 HydrophobicContact CB-CD2 4.19Å; I29-L81 HydrophobicContact CD1-CD2 4.32Å; I29-L81 HydrophobicContact CG2-CD1 4.15Å; I29-L81 HydrophobicContact CG2-CD2 3.98Å; I29-L81 HydrophobicContact CG2-CG 3.88Å; I29-L84 HydrophobicContact CD1-CD1 3.84Å
30Y96Very high93.4Very high12 Ų1259.7 Ų59.75%0.04732%0.316CS..Hα-helixtrans-66.6-23.6179.7-85.7-61.4000114V26 D27 F32 Q33 F47 L81 D86 R90 L91V26-Y30 HydrophobicContact CG1-CD2 3.73Å; V26-Y30 HydrophobicContact CG1-CE2 3.8Å; V26-Y30 WeakPolarHBondContact O-CD2 3.45Å; V26-Y30 PolarHBondContact O-N 3.48Å; D27-Y30 PolarHBondContact O-N 3.46Å; Y30-F32 PolarHBondContact O-N 3.31Å; Y30-Q33 WeakPolarHBondContact O-CB 3.33Å; Y30-Q33 PolarHBondContact O-N 3.02Å; Y30-F47 HydrophobicContact CD1-CE1 4.48Å; Y30-F47 HydrophobicContact CD1-CZ 4.27Å; Y30-F47 HydrophobicContact CE1-CZ 4.37Å; Y30-L81 HydrophobicContact CD2-CD2 4.04Å; Y30-L81 HydrophobicContact CE1-CD1 4.03Å; Y30-L81 HydrophobicContact CE2-CD1 4.11Å; Y30-L81 HydrophobicContact CE2-CD2 3.65Å; Y30-D86 WeakPolarHBondContact CE2-OD2 3.16Å; Y30-D86 PolarHBondContact OH-OD2 2.96Å; Y30-R90 HydrophobicContact CD1-CB 3.94Å; Y30-R90 HydrophobicContact CD2-CB 4.4Å; Y30-R90 VanDerWaalsContact CD2-CZ 3.41Å; Y30-R90 HydrophobicContact CE1-CB 3.53Å; Y30-R90 HydrophobicContact CE2-CB 4.03Å; Y30-R90 HydrophobicContact CG-CB 4.36Å; Y30-L91 HydrophobicContact CE1-CD1 4.48Å
31S93.1Very high93Very high58 Ų5859.4 Ų59.441%0.40632%0.318SS..THydrogen-bonded Turntrans-66.4-16.9173.566.50000113.1D27 W28 I29 H51D27-S31 PolarHBondContact O-N 2.87Å; W28-S31 PolarHBondContact O-N 2.76Å; W28-S31 PolarHBondContact O-OG 3.13Å; I29-S31 VanDerWaalsContact C-N 3.26Å; I29-S31 PolarHBondContact O-N 3.11Å; S31-H51 PolarHBondContact O-CE1 2.65Å; S31-H51 PolarHBondContact OG-CE1 3.09Å; S31-H51 PolarHBondContact OG-NE2 3.15Å; S31-H51 VanDerWaalsContact OG-NE2 3.16Å
32F93.3Very high92.6Very high15 Ų1556.9 Ų56.97%0.06631%0.31CS..THydrogen-bonded Turntrans-88.1-6.2172.2-58.7-68.5000114.2W28 I29 Y30 V34 F47 Q48 S50 H51W28-F32 AromaticContact CD2-CE2 3.61Å; W28-F32 HydrophobicContact CD2-CE2 3.61Å; W28-F32 HydrophobicContact CD2-CZ 4.2Å; W28-F32 AromaticContact CE2-CE2 3.35Å; W28-F32 AromaticContact CE2-CZ 3.47Å; W28-F32 VanDerWaalsContact CE2-CZ 3.47Å; W28-F32 AromaticContact CE3-CE2 3.85Å; W28-F32 HydrophobicContact CE3-CE2 3.85Å; W28-F32 HydrophobicContact CG-CE2 4.24Å; W28-F32 AromaticContact CH2-CE2 3.66Å; W28-F32 HydrophobicContact CH2-CE2 3.66Å; W28-F32 HydrophobicContact CH2-CZ 4.04Å; W28-F32 AromaticContact CZ2-CE2 3.42Å; W28-F32 HydrophobicContact CZ2-CE2 3.42Å; W28-F32 VanDerWaalsContact CZ2-CE2 3.42Å; W28-F32 AromaticContact CZ2-CZ 3.42Å; W28-F32 HydrophobicContact CZ2-CZ 3.42Å; W28-F32 VanDerWaalsContact CZ2-CZ 3.42Å; W28-F32 AromaticContact CZ3-CE2 3.84Å; W28-F32 HydrophobicContact CZ3-CE2 3.84Å; W28-F32 AromaticContact NE1-CE2 3.81Å; W28-F32 AromaticContact NE1-CZ 3.63Å; W28-F32 WeakPolarHBondContact O-CD2 3.44Å; W28-F32 WeakPolarHBondContact O-CE2 3.43Å; I29-F32 PolarHBondContact O-N 2.87Å; I29-F32 VanDerWaalsContact O-N 3.12Å; Y30-F32 PolarHBondContact O-N 3.31Å; F32-V34 PolarHBondContact O-N 3.33Å; F32-F47 HydrophobicContact CB-CD1 4.17Å; F32-F47 WeakPolarHBondContact O-CA 3.43Å; F32-Q48 HydrophobicContact CB-CB 4.44Å; F32-Q48 PolarHBondContact O-N 3.34Å; F32-S50 VanDerWaalsContact CE1-C 3.47Å; F32-H51 AromaticContact CD1-CE1 3.59Å; F32-H51 AromaticContact CD1-ND1 3.7Å; F32-H51 AromaticContact CD1-NE2 3.89Å; F32-H51 HydrophobicContact CE1-CB 4.34Å; F32-H51 AromaticContact CE1-CD2 3.34Å; F32-H51 WeakPolarHBondContact CE1-CD2 3.29Å; F32-H51 AromaticContact CE1-CE1 3.5Å; F32-H51 AromaticContact CE1-CG 3.52Å; F32-H51 AromaticContact CE1-ND1 3.61Å; F32-H51 AromaticContact CE1-NE2 3.34Å; F32-H51 VanDerWaalsContact CE1-NE2 3.34Å; F32-H51 WeakPolarHBondContact CE1-NE2 3.22Å; F32-H51 AromaticContact CZ-CD2 3.78Å; F32-H51 AromaticContact CZ-NE2 3.63Å
33Q94.1Very high92.3Very high10 Ų1057.6 Ų57.65%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-74.6122.8178.9-168.3176.8-153.300110.1Y30 T35 Q38 G46 F47 R90Y30-Q33 WeakPolarHBondContact O-CB 3.33Å; Y30-Q33 PolarHBondContact O-N 3.02Å; Q33-T35 HydrophobicContact CG-CG2 3.77Å; Q33-Q38 PolarHBondContact O-NE2 2.86Å; Q33-G46 CarbonylContact C-O 3.59Å; Q33-G46 WeakPolarHBondContact CA-O 3.22Å; Q33-F47 HydrophobicContact CB-CD1 4.03Å; Q33-F47 HydrophobicContact CB-CD2 4.47Å; Q33-F47 HydrophobicContact CB-CE1 3.65Å; Q33-F47 HydrophobicContact CB-CE2 4.11Å; Q33-F47 HydrophobicContact CB-CG 4.44Å; Q33-F47 HydrophobicContact CB-CZ 3.69Å; Q33-F47 HydrophobicContact CG-CD2 4.24Å; Q33-F47 HydrophobicContact CG-CE1 4.25Å; Q33-F47 HydrophobicContact CG-CE2 3.77Å; Q33-F47 HydrophobicContact CG-CZ 3.78Å; Q33-R90 PolarHBondContact NE2-O 3.35Å
34V91.5Very high91.9Very high7 Ų751 Ų514%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-96116.4171.3179.20000108.6F32 Q38 V40 C45 G46 Q48 V69F32-V34 PolarHBondContact O-N 3.33Å; V34-Q38 VanDerWaalsContact CA-OE1 3.24Å; V34-V40 HydrophobicContact CG1-CB 3.87Å; V34-V40 HydrophobicContact CG1-CG1 3.77Å; V34-V40 HydrophobicContact CG1-CG2 3.69Å; V34-C45 WeakPolarHBondContact O-CA 3.39Å; V34-C45 WeakPolarHBondContact O-CB 3.49Å; V34-G46 PolarHBondContact N-O 3.03Å; V34-G46 PolarHBondContact O-N 3.1Å; V34-G46 VanDerWaalsContact O-N 3.12Å; V34-Q48 HydrophobicContact CG2-CG 3.69Å; V34-V69 HydrophobicContact CB-CG2 3.78Å; V34-V69 HydrophobicContact CG1-CG2 4.29Å; V34-V69 HydrophobicContact CG2-CG2 3.64Å
35T91.2Very high91.7Very high15 Ų1542.1 Ų42.19%0.09227%0.265CS..  trans-116.2158.2-172.564.30000111.6Q33 S37 Q38 D92Q33-T35 HydrophobicContact CG-CG2 3.77Å; T35-S37 PolarHBondContact O-N 3.12Å; T35-S37 PolarHBondContact OG1-OG 3.15Å; T35-Q38 WeakPolarHBondContact O-CB 3.48Å; T35-Q38 PolarHBondContact O-N 2.93Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.44Å; T35-D92 WeakPolarHBondContact CA-OD2 3.48Å; T35-D92 WeakPolarHBondContact CB-OD2 3.24Å; T35-D92 HydrophobicContact CG2-CB 3.79Å
36A88.2Confident91.5Very high35 Ų3541 Ų4129%0.28926%0.259SS..G310 helixtrans-65.3-27.3175.300000112.2Q38 G39 V40 P42 C45 D92 S95A36-Q38 PolarHBondContact O-N 2.93Å; A36-G39 PolarHBondContact O-N 3.24Å; A36-V40 WeakPolarHBondContact CA-O 3.4Å; A36-P42 HydrophobicContact CB-CG 4.1Å; A36-C45 PolarHBondContact N-SG 3.28Å; A36-D92 PolarHBondContact N-OD2 2.84Å; A36-D92 VanDerWaalsContact N-OD2 3.11Å; A36-S95 WeakPolarHBondContact CB-OG 3.23Å
37S86.5Confident91.3Very high109 Ų10940.3 Ų40.376%0.76226%0.255SS*.G310 helixtrans-65.3-19176.358.90000114T35 G39T35-S37 PolarHBondContact O-N 3.12Å; T35-S37 PolarHBondContact OG1-OG 3.15Å; S37-G39 PolarHBondContact O-N 3.31Å
38Q85.1Confident91.1Very high118 Ų11837 Ų3755%0.55124%0.237SC*.G310 helixtrans-79.7-0.1171.4-66.6163.2-22.800112.6Q33 V34 T35 A36 V40Q33-Q38 PolarHBondContact O-NE2 2.86Å; V34-Q38 VanDerWaalsContact CA-OE1 3.24Å; T35-Q38 WeakPolarHBondContact O-CB 3.48Å; T35-Q38 PolarHBondContact O-N 2.93Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.44Å; A36-Q38 PolarHBondContact O-N 2.93Å; Q38-V40 HydrophobicContact CB-CG2 4.49Å
39G83.4Confident90.7Very high70 Ų7034.7 Ų34.772%0.72225%0.247SC*.THydrogen-bonded Turntrans868-176.900000114.3A36 S37A36-G39 PolarHBondContact O-N 3.24Å; S37-G39 PolarHBondContact O-N 3.31Å
40V84.9Confident90.2Very high21 Ų2136.9 Ų36.913%0.12726%0.263CS..  trans-80.5140.2175.3-178.80000109.6V34 A36 Q38 A44 H65 C66V34-V40 HydrophobicContact CG1-CB 3.87Å; V34-V40 HydrophobicContact CG1-CG1 3.77Å; V34-V40 HydrophobicContact CG1-CG2 3.69Å; A36-V40 WeakPolarHBondContact CA-O 3.4Å; Q38-V40 HydrophobicContact CB-CG2 4.49Å; V40-A44 HydrophobicContact CG1-CB 3.86Å; V40-H65 HydrophobicContact CG2-CB 4.34Å; V40-C66 HydrophobicContact CG1-CB 4.38Å
41A88.4Confident89.5Confident57 Ų5740.4 Ų40.447%0.47128%0.28SS..  trans-58.9134.2174.800000110S43 A44A41-S43 PolarHBondContact O-N 2.88Å; A41-A44 WeakPolarHBondContact O-CA 3.46Å; A41-A44 PolarHBondContact O-N 3.05Å
42P90.3Very high88.4Confident44 Ų4446.6 Ų46.629%0.28630%0.3SS..G310 helixtrans-56-27-177.5-28.334.3000114.9A36 A44 C45 K98 G99A36-P42 HydrophobicContact CB-CG 4.1Å; P42-A44 PolarHBondContact O-N 3.48Å; P42-C45 PolarHBondContact O-N 2.94Å; P42-K98 HydrophobicContact CB-CB 3.92Å; P42-K98 HydrophobicContact CB-CD 3.39Å; P42-K98 HydrophobicContact CB-CG 4.3Å; P42-K98 HydrophobicContact CG-CD 4.23Å; P42-G99 PolarHBondContact O-N 3.23Å
43S90.8Very high86.7Confident55 Ų5548 Ų4839%0.38532%0.319SS..G310 helixtrans-63.9-16.7173.953.10000113.7A41 G99 P114A41-S43 PolarHBondContact O-N 2.88Å; S43-G99 WeakPolarHBondContact O-CA 3.47Å; S43-P114 WeakPolarHBondContact O-CG 3.46Å
44A89.7Confident84.8Confident16 Ų1650.2 Ų50.213%0.13233%0.333CS..G310 helixtrans-115.115.4-176.700000112.6V40 A41 P42 C66 V69V40-A44 HydrophobicContact CG1-CB 3.86Å; A41-A44 WeakPolarHBondContact O-CA 3.46Å; A41-A44 PolarHBondContact O-N 3.05Å; P42-A44 PolarHBondContact O-N 3.48Å; A44-C66 HydrophobicContact CB-CB 3.68Å; A44-V69 WeakPolarHBondContact O-CG2 3.17Å
45C92.1Very high82.7Confident4 Ų452.1 Ų52.13%0.02735%0.345CS..  trans-91.7157.9178.8-69.50000112.3V34 A36 P42 S95V34-C45 WeakPolarHBondContact O-CA 3.39Å; V34-C45 WeakPolarHBondContact O-CB 3.49Å; A36-C45 PolarHBondContact N-SG 3.28Å; P42-C45 PolarHBondContact O-N 2.94Å; C45-S95 VanDerWaalsContact CB-CB 3.46Å
46G94.5Very high80.4Confident1 Ų156 Ų561%0.0138%0.378CS..EExtended strand (participates in β ladder)trans152.7-155.1-173.500000111.2Q33 V34Q33-G46 CarbonylContact C-O 3.59Å; Q33-G46 WeakPolarHBondContact CA-O 3.22Å; V34-G46 PolarHBondContact N-O 3.03Å; V34-G46 PolarHBondContact O-N 3.1Å; V34-G46 VanDerWaalsContact O-N 3.12Å
47F94.9Very high78.3Confident1 Ų157.3 Ų57.30%0.00438%0.383CS..EExtended strand (participates in β ladder)trans-110.4145.7167.7-70.9-111.1000111I29 Y30 F32 Q33 H70 T74 A77 L81 L91 I96I29-F47 HydrophobicContact CG2-CD1 4.32Å; I29-F47 HydrophobicContact CG2-CE1 3.86Å; I29-F47 WeakPolarHBondContact O-CD1 3.45Å; I29-F47 VanDerWaalsContact O-CE1 3.32Å; I29-F47 WeakPolarHBondContact O-CE1 3.41Å; Y30-F47 HydrophobicContact CD1-CE1 4.48Å; Y30-F47 HydrophobicContact CD1-CZ 4.27Å; Y30-F47 HydrophobicContact CE1-CZ 4.37Å; F32-F47 HydrophobicContact CB-CD1 4.17Å; F32-F47 WeakPolarHBondContact O-CA 3.43Å; Q33-F47 HydrophobicContact CB-CD1 4.03Å; Q33-F47 HydrophobicContact CB-CD2 4.47Å; Q33-F47 HydrophobicContact CB-CE1 3.65Å; Q33-F47 HydrophobicContact CB-CE2 4.11Å; Q33-F47 HydrophobicContact CB-CG 4.44Å; Q33-F47 HydrophobicContact CB-CZ 3.69Å; Q33-F47 HydrophobicContact CG-CD2 4.24Å; Q33-F47 HydrophobicContact CG-CE1 4.25Å; Q33-F47 HydrophobicContact CG-CE2 3.77Å; Q33-F47 HydrophobicContact CG-CZ 3.78Å; F47-H70 PolarHBondContact O-N 2.92Å; F47-H70 VanDerWaalsContact O-N 3.08Å; F47-T74 HydrophobicContact CD2-CG2 4.18Å; F47-T74 PolarHBondContact N-OG1 3.36Å; F47-A77 HydrophobicContact CB-CB 4.01Å; F47-A77 HydrophobicContact CD1-CB 3.33Å; F47-A77 HydrophobicContact CD2-CB 3.9Å; F47-A77 HydrophobicContact CE1-CB 3.66Å; F47-A77 HydrophobicContact CE2-CB 4.2Å; F47-A77 HydrophobicContact CG-CB 3.46Å; F47-A77 VanDerWaalsContact CG-CB 3.46Å; F47-A77 HydrophobicContact CZ-CB 4.09Å; F47-L81 HydrophobicContact CZ-CD1 4.29Å; F47-L91 HydrophobicContact CE2-CD1 3.54Å; F47-L91 HydrophobicContact CZ-CD1 3.75Å; F47-I96 HydrophobicContact CE2-CD1 4.09Å
48Q91.7Very high76.5Confident12 Ų1261.9 Ų61.96%0.05639%0.392CS..BIsolated β-bridgetrans-87.4153.1171.2-61172.4-34.300111.4F32 V34 S50 H65 G68 V69F32-Q48 HydrophobicContact CB-CB 4.44Å; F32-Q48 PolarHBondContact O-N 3.34Å; V34-Q48 HydrophobicContact CG2-CG 3.69Å; Q48-S50 VanDerWaalsContact C-N 3.34Å; Q48-H65 PolarHBondContact NE2-O 2.96Å; Q48-G68 VanDerWaalsContact CA-O 3.24Å; Q48-G68 WeakPolarHBondContact CA-O 3.3Å; Q48-V69 HydrophobicContact CG-CG2 3.84Å
49G88.9Confident74.6Confident62 Ų6261.6 Ų61.664%0.63939%0.394SS*.SBendtrans-74.6-23.6175.600000113.9G68G49-G68 PolarHBondContact N-O 2.91Å
50S86.3Confident73.1Confident53 Ų5368.4 Ų68.437%0.37140%0.404SS..SBendtrans-162.9175.9177.472.60000110.5F32 Q48 F52F32-S50 VanDerWaalsContact CE1-C 3.47Å; Q48-S50 VanDerWaalsContact C-N 3.34Å; S50-F52 PolarHBondContact O-N 3.45Å; S50-F52 WeakPolarHBondContact OG-CB 3.15Å; S50-F52 PolarHBondContact OG-N 3.14Å
51H79.9Confident71.2Confident86 Ų8678 Ų7840%0.39844%0.438SS..SBendtrans-81.2-0.4173.4-69.4-54.8000113S31 F32 G53 V54S31-H51 PolarHBondContact O-CE1 2.65Å; S31-H51 PolarHBondContact OG-CE1 3.09Å; S31-H51 PolarHBondContact OG-NE2 3.15Å; S31-H51 VanDerWaalsContact OG-NE2 3.16Å; F32-H51 AromaticContact CD1-CE1 3.59Å; F32-H51 AromaticContact CD1-ND1 3.7Å; F32-H51 AromaticContact CD1-NE2 3.89Å; F32-H51 HydrophobicContact CE1-CB 4.34Å; F32-H51 AromaticContact CE1-CD2 3.34Å; F32-H51 WeakPolarHBondContact CE1-CD2 3.29Å; F32-H51 AromaticContact CE1-CE1 3.5Å; F32-H51 AromaticContact CE1-CG 3.52Å; F32-H51 AromaticContact CE1-ND1 3.61Å; F32-H51 AromaticContact CE1-NE2 3.34Å; F32-H51 VanDerWaalsContact CE1-NE2 3.34Å; F32-H51 WeakPolarHBondContact CE1-NE2 3.22Å; F32-H51 AromaticContact CZ-CD2 3.78Å; F32-H51 AromaticContact CZ-NE2 3.63Å; H51-G53 PolarHBondContact O-N 2.82Å; H51-V54 HydrophobicContact CB-CG2 4.35Å; H51-V54 WeakPolarHBondContact O-CB 3.13Å; H51-V54 WeakPolarHBondContact O-CG2 3.38Å; H51-V54 PolarHBondContact O-N 3.23Å
52F69.8Low69.4Low187 Ų18778.5 Ų78.582%0.8243%0.433SS*.THydrogen-bonded Turntrans-65125.8172.1-104.4-86.3000109.9S50 V54S50-F52 PolarHBondContact O-N 3.45Å; S50-F52 WeakPolarHBondContact OG-CB 3.15Å; S50-F52 PolarHBondContact OG-N 3.14Å; F52-V54 VanDerWaalsContact C-N 3.35Å
53G57.7Low67.5Low45 Ų4583.4 Ų83.446%0.46446%0.456SS..THydrogen-bonded Turntrans88.9-4.7-174.100000114.5H51 V55H51-G53 PolarHBondContact O-N 2.82Å; G53-V55 PolarHBondContact O-N 3.28Å; G53-V55 VanDerWaalsContact O-N 3.09Å
54V55.2Low65.8Low57 Ų5788.4 Ų88.435%0.34547%0.468SS..  trans-78.795.9172-175.10000108.7H51 F52 A56H51-V54 HydrophobicContact CB-CG2 4.35Å; H51-V54 WeakPolarHBondContact O-CB 3.13Å; H51-V54 WeakPolarHBondContact O-CG2 3.38Å; H51-V54 PolarHBondContact O-N 3.23Å; F52-V54 VanDerWaalsContact C-N 3.35Å; V54-A56 PolarHBondContact O-N 3.31Å; V54-A56 VanDerWaalsContact O-N 3.15Å
55V46.7Very low64.2Low47 Ų4790 Ų9029%0.28547%0.473SS..  trans-74.1103.6165-172.50000106.3G53 T57 H65G53-V55 PolarHBondContact O-N 3.28Å; G53-V55 VanDerWaalsContact O-N 3.09Å; V55-T57 VanDerWaalsContact C-N 3.3Å; V55-T57 HydrophobicContact CG1-CG2 3.46Å; V55-T57 VanDerWaalsContact CG1-CG2 3.46Å; V55-T57 WeakPolarHBondContact CG1-OG1 3.42Å; V55-T57 PolarHBondContact O-N 2.97Å; V55-H65 PolarHBondContact O-CE1 2.85Å; V55-H65 PolarHBondContact O-ND1 3.47Å
56A43.3Very low62.7Low96 Ų9690.9 Ų90.979%0.79348%0.478SS*.  trans-72.690.4165.200000107.1V54V54-A56 PolarHBondContact O-N 3.31Å; V54-A56 VanDerWaalsContact O-N 3.15Å
57T43.9Very low61.5Low63 Ų6394.5 Ų94.539%0.38750%0.5SS..  trans-137.3136.4171.554.40000111.7V55 N59V55-T57 VanDerWaalsContact C-N 3.3Å; V55-T57 HydrophobicContact CG1-CG2 3.46Å; V55-T57 VanDerWaalsContact CG1-CG2 3.46Å; V55-T57 WeakPolarHBondContact CG1-OG1 3.42Å; V55-T57 PolarHBondContact O-N 2.97Å; T57-N59 PolarHBondContact O-N 3.03Å
58E48.1Very low60.6Low205 Ų20595.6 Ų95.696%0.95851%0.511SS*.SBendtrans-577.5160.7-60.1172.9155.200112.9
59N46.6Very low60.4Low111 Ų11195.4 Ų95.459%0.59451%0.511SS*.  trans-104.1102.1178.5-90.3-32.1000110.4T57 R61T57-N59 PolarHBondContact O-N 3.03Å; N59-R61 PolarHBondContact O-N 3.06Å
60K50.5Low60.6Low214 Ų21495 Ų9593%0.9349%0.493SS*.THydrogen-bonded Turntrans-58.618174.8-64.9-177.9173.1-178.80116.1
61R46.9Very low61.1Low223 Ų22392.9 Ų92.984%0.84248%0.477SS*.THydrogen-bonded Turntrans-119.7-0.7-166.4-84.1-171.9177.9176.10.5116.2N59N59-R61 PolarHBondContact O-N 3.06Å
62N48.9Very low61.9Low67 Ų6791.4 Ų91.436%0.35847%0.474SS..  trans-101.199.5177.4-79.3-6.3000110.7Y64 H65N62-Y64 HydrophobicContact CB-CD2 4.32Å; N62-Y64 PolarHBondContact O-N 3.45Å; N62-H65 PolarHBondContact O-CD2 3.5Å; N62-H65 PolarHBondContact O-N 3.2Å
63D51.7Low63.1Low146 Ų14683.3 Ų83.378%0.78144%0.441SS*.G310 helixtrans-55.1-8173.7-68.5-30.7000114.1H65 C66D63-H65 PolarHBondContact O-N 2.89Å; D63-C66 PolarHBondContact O-SG 3.44Å; D63-C66 VanDerWaalsContact O-SG 3.34Å
64Y54.1Low65Low161 Ų16181.3 Ų81.363%0.63142%0.42SS*.G310 helixtrans-68.2-12.7176.8-63.4-79.2000114.9N62 C66 V67N62-Y64 HydrophobicContact CB-CD2 4.32Å; N62-Y64 PolarHBondContact O-N 3.45Å; Y64-C66 PolarHBondContact O-N 3.18Å; Y64-V67 HydrophobicContact CD1-CG2 4.34Å; Y64-V67 PolarHBondContact O-N 3.21Å
65H56.1Low67.1Low50 Ų5079.1 Ų79.123%0.23141%0.406CS..G310 helixtrans-56.5-24.6-178-69.3-70.7000114V40 Q48 V55 N62 D63V40-H65 HydrophobicContact CG2-CB 4.34Å; Q48-H65 PolarHBondContact NE2-O 2.96Å; V55-H65 PolarHBondContact O-CE1 2.85Å; V55-H65 PolarHBondContact O-ND1 3.47Å; N62-H65 PolarHBondContact O-CD2 3.5Å; N62-H65 PolarHBondContact O-N 3.2Å; D63-H65 PolarHBondContact O-N 2.89Å
66C61.2Low69.5Low21 Ų2178.1 Ų78.114%0.14240%0.401CS..G310 helixtrans-105.5-5.2-173.654.70000115.7V40 A44 D63 Y64 G68 V69V40-C66 HydrophobicContact CG1-CB 4.38Å; A44-C66 HydrophobicContact CB-CB 3.68Å; D63-C66 PolarHBondContact O-SG 3.44Å; D63-C66 VanDerWaalsContact O-SG 3.34Å; Y64-C66 PolarHBondContact O-N 3.18Å; C66-G68 PolarHBondContact O-N 2.95Å; C66-G68 VanDerWaalsContact O-N 3.1Å; C66-V69 PolarHBondContact O-N 3.04Å
67V68.3Low72.2Confident77 Ų7774 Ų7447%0.46737%0.367SS..THydrogen-bonded Turntrans-59.2-30-177.1179.40000111.9Y64 L115Y64-V67 HydrophobicContact CD1-CG2 4.34Å; Y64-V67 PolarHBondContact O-N 3.21Å; V67-L115 HydrophobicContact CG2-CD1 4.23Å
68G76Confident74.7Confident24 Ų2471 Ų7125%0.24735%0.348CS..THydrogen-bonded Turntrans-80.1-14.4-179.700000115.6Q48 G49 C66Q48-G68 VanDerWaalsContact CA-O 3.24Å; Q48-G68 WeakPolarHBondContact CA-O 3.3Å; G49-G68 PolarHBondContact N-O 2.91Å; C66-G68 PolarHBondContact O-N 2.95Å; C66-G68 VanDerWaalsContact O-N 3.1Å
69V88.1Confident77.1Confident9 Ų961.2 Ų61.26%0.05530%0.303CS..BIsolated β-bridgetrans-68.7135.3-176.6174.40000109.1V34 A44 Q48 C66 N113V34-V69 HydrophobicContact CB-CG2 3.78Å; V34-V69 HydrophobicContact CG1-CG2 4.29Å; V34-V69 HydrophobicContact CG2-CG2 3.64Å; A44-V69 WeakPolarHBondContact O-CG2 3.17Å; Q48-V69 HydrophobicContact CG-CG2 3.84Å; C66-V69 PolarHBondContact O-N 3.04Å; V69-N113 WeakPolarHBondContact O-CB 3.35Å; V69-N113 PolarHBondContact O-ND2 3.28Å
70H93.9Very high79.6Confident54 Ų5456 Ų5625%0.2528%0.275CS..  trans-148.7136.3-175.3-165.7-67.6000110.7F47 V72 A73 T74 S112 H123F47-H70 PolarHBondContact O-N 2.92Å; F47-H70 VanDerWaalsContact O-N 3.08Å; H70-V72 WeakPolarHBondContact ND1-CB 3.32Å; H70-V72 PolarHBondContact ND1-N 3.47Å; H70-V72 PolarHBondContact O-N 3.34Å; H70-A73 HydrophobicContact CB-CB 4.06Å; H70-A73 WeakPolarHBondContact O-CB 3.31Å; H70-A73 PolarHBondContact O-N 2.99Å; H70-T74 PolarHBondContact O-N 3.35Å; H70-T74 PolarHBondContact O-OG1 3.25Å; H70-S112 WeakPolarHBondContact CA-O 3.5Å; H70-S112 VanDerWaalsContact CD2-CB 3.49Å; H70-S112 WeakPolarHBondContact CD2-CB 3.31Å; H70-S112 WeakPolarHBondContact NE2-CB 3.5Å; H70-H123 AromaticContact CE1-CD2 3.86Å; H70-H123 AromaticContact CE1-NE2 3.65Å; H70-H123 AromaticContact NE2-NE2 3.88Å
71L96.2Very high81.8Confident8 Ų845.9 Ų45.94%0.04223%0.231CC..Hα-helixtrans-58.1-45.2-179.8-71.4-177000112.5A73 T74 Y75 V100 C103 I110 R111 S112 H123 A126 A127 I130L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 2.94Å; L71-T74 WeakPolarHBondContact O-CB 3.32Å; L71-T74 PolarHBondContact O-N 2.92Å; L71-Y75 WeakPolarHBondContact O-CB 3.47Å; L71-Y75 PolarHBondContact O-N 3.48Å; L71-V100 HydrophobicContact CD2-CG2 3.81Å; L71-C103 HydrophobicContact CD1-CB 3.92Å; L71-I110 HydrophobicContact CD1-CG2 3.5Å; L71-I110 VanDerWaalsContact CD1-CG2 3.5Å; L71-R111 VanDerWaalsContact CD1-O 3.26Å; L71-R111 WeakPolarHBondContact CD1-O 3.28Å; L71-S112 WeakPolarHBondContact CG-O 3.5Å; L71-S112 PolarHBondContact N-O 3.42Å; L71-H123 HydrophobicContact CD1-CB 4.48Å; L71-A126 HydrophobicContact CB-CB 3.89Å; L71-A127 HydrophobicContact CD1-CB 4.02Å; L71-I130 HydrophobicContact CD2-CD1 4.16Å
72V96.3Very high84.2Confident54 Ų5435.3 Ų35.333%0.32719%0.192SC..Hα-helixtrans-59.9-37.2175.4-179.20000112.6H70 S76 A126H70-V72 WeakPolarHBondContact ND1-CB 3.32Å; H70-V72 PolarHBondContact ND1-N 3.47Å; H70-V72 PolarHBondContact O-N 3.34Å; V72-S76 VanDerWaalsContact O-CB 3.27Å; V72-S76 WeakPolarHBondContact O-CB 3.48Å; V72-S76 PolarHBondContact O-N 2.89Å; V72-S76 PolarHBondContact O-OG 2.92Å; V72-A126 HydrophobicContact CG2-CB 4.14Å
73A96.3Very high86.5Confident17 Ų1732.3 Ų32.314%0.1418%0.175CC..Hα-helixtrans-69.1-41.2175.700000111.2H70 L71 S76 A77H70-A73 HydrophobicContact CB-CB 4.06Å; H70-A73 WeakPolarHBondContact O-CB 3.31Å; H70-A73 PolarHBondContact O-N 2.99Å; L71-A73 VanDerWaalsContact C-N 3.3Å; L71-A73 PolarHBondContact O-N 2.94Å; A73-S76 PolarHBondContact O-N 3.08Å; A73-A77 VanDerWaalsContact O-CB 3.32Å; A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 2.78Å
74T97.6Very high88.7Confident3 Ų326 Ų262%0.01814%0.142CC..Hα-helixtrans-59.4-50174.4-54.90000111.7F47 H70 L71 S76 A77 I78 I96 I130F47-T74 HydrophobicContact CD2-CG2 4.18Å; F47-T74 PolarHBondContact N-OG1 3.36Å; H70-T74 PolarHBondContact O-N 3.35Å; H70-T74 PolarHBondContact O-OG1 3.25Å; L71-T74 WeakPolarHBondContact O-CB 3.32Å; L71-T74 PolarHBondContact O-N 2.92Å; T74-S76 PolarHBondContact O-N 3.38Å; T74-A77 PolarHBondContact O-N 3.07Å; T74-I78 HydrophobicContact CG2-CD1 4.17Å; T74-I78 WeakPolarHBondContact O-CG1 3.41Å; T74-I78 PolarHBondContact O-N 3.06Å; T74-I78 VanDerWaalsContact O-N 3.07Å; T74-I96 HydrophobicContact CG2-CD1 4.48Å; T74-I96 HydrophobicContact CG2-CG1 4.38Å; T74-I96 HydrophobicContact CG2-CG2 3.77Å; T74-I130 HydrophobicContact CG2-CD1 3.74Å; T74-I130 HydrophobicContact CG2-CG1 4.34Å
75Y98.3Very high90.6Very high11 Ų1120.6 Ų20.64%0.04314%0.135CC..Hα-helixtrans-55.1-52.3172.3161.1-95.2000111.1Y2 L71 A77 I78 M79 Y125 A129 L295 N296Y2-Y75 HydrophobicContact CE1-CE1 4.39Å; Y2-Y75 PolarHBondContact OH-OH 3Å; L71-Y75 WeakPolarHBondContact O-CB 3.47Å; L71-Y75 PolarHBondContact O-N 3.48Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 3Å; Y75-I78 PolarHBondContact O-N 3.31Å; Y75-M79 HydrophobicContact CD2-CE 3.73Å; Y75-M79 HydrophobicContact CD2-CG 4.12Å; Y75-M79 HydrophobicContact CE1-CG 4.29Å; Y75-M79 HydrophobicContact CE2-CE 3.59Å; Y75-M79 HydrophobicContact CE2-CG 3.71Å; Y75-M79 HydrophobicContact CE2-SD 4.2Å; Y75-M79 WeakPolarHBondContact O-CG 3.44Å; Y75-M79 PolarHBondContact O-N 3.37Å; Y75-Y125 HydrophobicContact CE1-CE1 4.33Å; Y75-Y125 AromaticContact CE2-CE1 3.99Å; Y75-Y125 HydrophobicContact CE2-CE1 3.99Å; Y75-Y125 AromaticContact CZ-CE1 3.86Å; Y75-Y125 PolarHBondContact OH-OH 3.32Å; Y75-A129 HydrophobicContact CD2-CB 3.71Å; Y75-A129 HydrophobicContact CE2-CB 3.85Å; Y75-L295 PolarHBondContact OH-O 3.12Å; Y75-N296 WeakPolarHBondContact OH-CB 3.42Å
76S98.1Very high92.5Very high26 Ų2619.3 Ų19.318%0.18213%0.129CC..Hα-helixtrans-62.4-37.6-176.3-610000112.2V72 A73 T74 S80V72-S76 VanDerWaalsContact O-CB 3.27Å; V72-S76 WeakPolarHBondContact O-CB 3.48Å; V72-S76 PolarHBondContact O-N 2.89Å; V72-S76 PolarHBondContact O-OG 2.92Å; A73-S76 PolarHBondContact O-N 3.08Å; T74-S76 PolarHBondContact O-N 3.38Å; S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.42Å; S76-S80 PolarHBondContact O-N 2.6Å; S76-S80 PolarHBondContact O-OG 3.45Å
77A98.1Very high94.1Very high9 Ų922.3 Ų22.37%0.07414%0.144CC..Hα-helixtrans-65.3-48.6176.300000111.4I29 F47 A73 T74 Y75 M79 S80 L81I29-A77 HydrophobicContact CG2-CB 3.8Å; F47-A77 HydrophobicContact CB-CB 4.01Å; F47-A77 HydrophobicContact CD1-CB 3.33Å; F47-A77 HydrophobicContact CD2-CB 3.9Å; F47-A77 HydrophobicContact CE1-CB 3.66Å; F47-A77 HydrophobicContact CE2-CB 4.2Å; F47-A77 HydrophobicContact CG-CB 3.46Å; F47-A77 VanDerWaalsContact CG-CB 3.46Å; F47-A77 HydrophobicContact CZ-CB 4.09Å; A73-A77 VanDerWaalsContact O-CB 3.32Å; A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 2.78Å; T74-A77 PolarHBondContact O-N 3.07Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 3Å; A77-M79 VanDerWaalsContact C-N 3.35Å; A77-M79 PolarHBondContact O-N 3.38Å; A77-S80 WeakPolarHBondContact O-CB 3.27Å; A77-S80 PolarHBondContact O-N 3.09Å; A77-L81 WeakPolarHBondContact O-CB 3.26Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.27Å
78I97.9Very high95.4Very high0 Ų018.8 Ų18.80%012%0.122CC..Hα-helixtrans-60.2-44.8178.5-66.6167.5000110.9T74 Y75 L81 A82 F88 L91 I130 V133 L305T74-I78 HydrophobicContact CG2-CD1 4.17Å; T74-I78 WeakPolarHBondContact O-CG1 3.41Å; T74-I78 PolarHBondContact O-N 3.06Å; T74-I78 VanDerWaalsContact O-N 3.07Å; Y75-I78 PolarHBondContact O-N 3.31Å; I78-L81 PolarHBondContact O-N 3.19Å; I78-A82 PolarHBondContact O-N 3.46Å; I78-F88 HydrophobicContact CG2-CE1 4.17Å; I78-L91 HydrophobicContact CG1-CD1 4.26Å; I78-L91 HydrophobicContact CG1-CD2 4.31Å; I78-I130 HydrophobicContact CD1-CG1 4.36Å; I78-I130 HydrophobicContact CD1-CG2 4.35Å; I78-V133 HydrophobicContact CG2-CG2 3.95Å; I78-L305 HydrophobicContact CG2-CD1 3.75Å
79M98Very high96.3Very high0 Ų022.3 Ų22.30%014%0.143CC..Hα-helixtrans-64.2-41.7176.6-60.6-54.6143.200111.9Y2 Y75 A77 A82 I83 V133 V297 L305Y2-M79 HydrophobicContact CD2-CB 3.89Å; Y2-M79 HydrophobicContact CE2-CB 3.57Å; Y2-M79 HydrophobicContact CE2-CG 4.25Å; Y75-M79 HydrophobicContact CD2-CE 3.73Å; Y75-M79 HydrophobicContact CD2-CG 4.12Å; Y75-M79 HydrophobicContact CE1-CG 4.29Å; Y75-M79 HydrophobicContact CE2-CE 3.59Å; Y75-M79 HydrophobicContact CE2-CG 3.71Å; Y75-M79 HydrophobicContact CE2-SD 4.2Å; Y75-M79 WeakPolarHBondContact O-CG 3.44Å; Y75-M79 PolarHBondContact O-N 3.37Å; A77-M79 VanDerWaalsContact C-N 3.35Å; A77-M79 PolarHBondContact O-N 3.38Å; M79-A82 WeakPolarHBondContact O-CB 3.38Å; M79-A82 PolarHBondContact O-N 3.09Å; M79-I83 WeakPolarHBondContact O-CD1 3.4Å; M79-I83 WeakPolarHBondContact O-CG1 3.45Å; M79-I83 PolarHBondContact O-N 3.46Å; M79-V133 HydrophobicContact CE-CG1 3.77Å; M79-V133 HydrophobicContact CE-CG2 4.33Å; M79-V297 HydrophobicContact CB-CG1 3.98Å; M79-V297 HydrophobicContact CG-CG1 4.21Å; M79-V297 HydrophobicContact SD-CG1 4.03Å; M79-L305 HydrophobicContact CE-CD2 3.82Å; M79-L305 HydrophobicContact SD-CD2 3.62Å
80S98.2Very high96.6Very high3 Ų327.7 Ų27.72%0.02116%0.162CC..Hα-helixtrans-61.9-43.8177.6-62.40000112Y2 S76 A77 A82 I83 L84Y2-S80 WeakPolarHBondContact CA-OG 3.2Å; S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.42Å; S76-S80 PolarHBondContact O-N 2.6Å; S76-S80 PolarHBondContact O-OG 3.45Å; A77-S80 WeakPolarHBondContact O-CB 3.27Å; A77-S80 PolarHBondContact O-N 3.09Å; S80-A82 VanDerWaalsContact C-N 3.32Å; S80-A82 PolarHBondContact O-N 2.92Å; S80-I83 PolarHBondContact O-N 3.46Å; S80-L84 WeakPolarHBondContact O-CG 3.21Å; S80-L84 PolarHBondContact O-N 3.34Å
81L97.8Very high96.7Very high0 Ų025.6 Ų25.60%015%0.152CC..Hα-helixtrans-61.6-39.8175.2-71.1170.9000111.4V26 I29 Y30 F47 A77 I78 I83 L84 G85 D86 F88V26-L81 HydrophobicContact CB-CD2 4.44Å; V26-L81 HydrophobicContact CG1-CD2 3.93Å; V26-L81 HydrophobicContact CG2-CD2 4.35Å; I29-L81 HydrophobicContact CB-CD2 4.19Å; I29-L81 HydrophobicContact CD1-CD2 4.32Å; I29-L81 HydrophobicContact CG2-CD1 4.15Å; I29-L81 HydrophobicContact CG2-CD2 3.98Å; I29-L81 HydrophobicContact CG2-CG 3.88Å; Y30-L81 HydrophobicContact CD2-CD2 4.04Å; Y30-L81 HydrophobicContact CE1-CD1 4.03Å; Y30-L81 HydrophobicContact CE2-CD1 4.11Å; Y30-L81 HydrophobicContact CE2-CD2 3.65Å; F47-L81 HydrophobicContact CZ-CD1 4.29Å; A77-L81 WeakPolarHBondContact O-CB 3.26Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.27Å; I78-L81 PolarHBondContact O-N 3.19Å; L81-I83 PolarHBondContact O-N 3.42Å; L81-L84 CarbonylContact O-C 3.57Å; L81-L84 PolarHBondContact O-N 3.46Å; L81-G85 PolarHBondContact O-N 3.29Å; L81-G85 VanDerWaalsContact O-N 3.11Å; L81-D86 HydrophobicContact CB-CB 3.88Å; L81-D86 HydrophobicContact CD2-CB 4.07Å; L81-D86 WeakPolarHBondContact O-CB 3.45Å; L81-D86 PolarHBondContact O-N 3.37Å; L81-F88 HydrophobicContact CB-CD1 4.29Å; L81-F88 HydrophobicContact CB-CE1 3.58Å; L81-F88 HydrophobicContact CB-CZ 4.16Å; L81-F88 HydrophobicContact CD1-CD1 4.42Å; L81-F88 HydrophobicContact CD1-CE1 4.32Å
82A96.8Very high96.7Very high2 Ų227 Ų272%0.01716%0.16CC..Hα-helixtrans-63.5-41.3175.900000113.3I78 M79 S80 L84 G85 F88 R304 L305I78-A82 PolarHBondContact O-N 3.46Å; M79-A82 WeakPolarHBondContact O-CB 3.38Å; M79-A82 PolarHBondContact O-N 3.09Å; S80-A82 VanDerWaalsContact C-N 3.32Å; S80-A82 PolarHBondContact O-N 2.92Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-G85 PolarHBondContact O-N 2.8Å; A82-F88 HydrophobicContact CB-CZ 3.88Å; A82-R304 PolarHBondContact O-NE 3.28Å; A82-R304 VanDerWaalsContact O-NE 3.14Å; A82-L305 HydrophobicContact CB-CB 3.95Å; A82-L305 HydrophobicContact CB-CD1 3.94Å; A82-L305 HydrophobicContact CB-CD2 4.43Å; A82-L305 HydrophobicContact CB-CG 4.34Å
83I97.5Very high96.6Very high3 Ų327 Ų272%0.01515%0.154CC..Hα-helixtrans-61.5-44.7176.6-71.4158.4000109.7Y2 L5 D9 I14 M79 S80 L81 G85 V297 A301 R304Y2-I83 HydrophobicContact CD2-CD1 4.45Å; Y2-I83 HydrophobicContact CE2-CD1 4.41Å; L5-I83 HydrophobicContact CB-CG2 4.18Å; D9-I83 HydrophobicContact CB-CG1 4.48Å; D9-I83 HydrophobicContact CB-CG2 3.75Å; I14-I83 HydrophobicContact CD1-CG2 3.58Å; I14-I83 HydrophobicContact CG1-CG2 3.99Å; M79-I83 WeakPolarHBondContact O-CD1 3.4Å; M79-I83 WeakPolarHBondContact O-CG1 3.45Å; M79-I83 PolarHBondContact O-N 3.46Å; S80-I83 PolarHBondContact O-N 3.46Å; L81-I83 PolarHBondContact O-N 3.42Å; I83-G85 PolarHBondContact O-N 2.96Å; I83-V297 HydrophobicContact CD1-CG1 4.32Å; I83-A301 HydrophobicContact CG1-CB 4Å; I83-R304 PolarHBondContact O-NH2 3.33Å
84L97.3Very high96.6Very high15 Ų1529.9 Ų29.98%0.07917%0.167CC..THydrogen-bonded Turntrans-74.9-0.8178-66.2170000114.4L5 Q22 I25 V26 I29 S80 L81 A82L5-L84 HydrophobicContact CD1-CD1 3.78Å; L5-L84 HydrophobicContact CD1-CD2 4.49Å; L5-L84 HydrophobicContact CD1-CG 4.09Å; L5-L84 HydrophobicContact CD2-CD2 3.99Å; L5-L84 HydrophobicContact CD2-CG 4.47Å; Q22-L84 HydrophobicContact CB-CD2 4.26Å; Q22-L84 HydrophobicContact CG-CD2 4.16Å; I25-L84 HydrophobicContact CB-CD1 4.18Å; I25-L84 HydrophobicContact CG2-CD1 3.65Å; V26-L84 HydrophobicContact CG2-CB 3.87Å; V26-L84 HydrophobicContact CG2-CD1 3.75Å; V26-L84 HydrophobicContact CG2-CG 4.42Å; I29-L84 HydrophobicContact CD1-CD1 3.84Å; S80-L84 WeakPolarHBondContact O-CG 3.21Å; S80-L84 PolarHBondContact O-N 3.34Å; L81-L84 CarbonylContact O-C 3.57Å; L81-L84 PolarHBondContact O-N 3.46Å; A82-L84 VanDerWaalsContact C-N 3.32Å
85G95.2Very high96.4Very high46 Ų4630.1 Ų30.147%0.47417%0.169SC..THydrogen-bonded Turntrans73.224.2176.800000114.7L81 A82 I83L81-G85 PolarHBondContact O-N 3.29Å; L81-G85 VanDerWaalsContact O-N 3.11Å; A82-G85 PolarHBondContact O-N 2.8Å; I83-G85 PolarHBondContact O-N 2.96Å
86D95.9Very high96.3Very high23 Ų2329.7 Ų29.712%0.12317%0.167CC..  trans-59153.2175.5-17164000112.2Y30 L81 F88Y30-D86 WeakPolarHBondContact CE2-OD2 3.16Å; Y30-D86 PolarHBondContact OH-OD2 2.96Å; L81-D86 HydrophobicContact CB-CB 3.88Å; L81-D86 HydrophobicContact CD2-CB 4.07Å; L81-D86 WeakPolarHBondContact O-CB 3.45Å; L81-D86 PolarHBondContact O-N 3.37Å; D86-F88 VanDerWaalsContact OD2-CA 3.31Å; D86-F88 WeakPolarHBondContact OD2-CA 3.34Å; D86-F88 PolarHBondContact OD2-N 3.46Å
87D94.1Very high96.3Very high85 Ų8529.1 Ų29.146%0.45516%0.162SC..  trans-91.1-7.8-179.868.38.3000113.8C89D87-C89 PolarHBondContact O-N 3.17Å; D87-C89 VanDerWaalsContact OD1-CB 3.3Å; D87-C89 WeakPolarHBondContact OD1-CB 3.42Å; D87-C89 PolarHBondContact OD1-N 3.02Å; D87-C89 PolarHBondContact OD1-SG 3.45Å; D87-C89 PolarHBondContact OD2-SG 3.04Å
88F95.7Very high96.2Very high2 Ų233.5 Ų33.51%0.00918%0.18CC..  trans5924.2-177.8-53.2-81.8000114.5I78 L81 A82 D86 R90 L91 R93 L305 R308 F309I78-F88 HydrophobicContact CG2-CE1 4.17Å; L81-F88 HydrophobicContact CB-CD1 4.29Å; L81-F88 HydrophobicContact CB-CE1 3.58Å; L81-F88 HydrophobicContact CB-CZ 4.16Å; L81-F88 HydrophobicContact CD1-CD1 4.42Å; L81-F88 HydrophobicContact CD1-CE1 4.32Å; A82-F88 HydrophobicContact CB-CZ 3.88Å; D86-F88 VanDerWaalsContact OD2-CA 3.31Å; D86-F88 WeakPolarHBondContact OD2-CA 3.34Å; D86-F88 PolarHBondContact OD2-N 3.46Å; F88-R90 VanDerWaalsContact C-N 3.31Å; F88-L91 HydrophobicContact CB-CB 4.22Å; F88-L91 HydrophobicContact CB-CD2 4.42Å; F88-L91 HydrophobicContact CD1-CD2 4.03Å; F88-L91 PolarHBondContact O-N 3.29Å; F88-R93 PolarHBondContact O-NH2 3.41Å; F88-L305 HydrophobicContact CE1-CD1 4.22Å; F88-L305 HydrophobicContact CE2-CD1 4Å; F88-L305 HydrophobicContact CZ-CD1 3.55Å; F88-R308 HydrophobicContact CD2-CB 4.2Å; F88-R308 HydrophobicContact CD2-CG 4.46Å; F88-F309 HydrophobicContact CB-CE1 3.91Å; F88-F309 HydrophobicContact CB-CZ 3.7Å; F88-F309 HydrophobicContact CD1-CE2 4.35Å; F88-F309 AromaticContact CD1-CZ 3.77Å; F88-F309 HydrophobicContact CD1-CZ 3.77Å; F88-F309 HydrophobicContact CD2-CE2 4.07Å; F88-F309 AromaticContact CD2-CZ 3.86Å; F88-F309 HydrophobicContact CD2-CZ 3.86Å; F88-F309 HydrophobicContact CE1-CE2 4.45Å; F88-F309 HydrophobicContact CE1-CZ 4.29Å; F88-F309 HydrophobicContact CE2-CE2 4.21Å; F88-F309 HydrophobicContact CE2-CZ 4.4Å; F88-F309 HydrophobicContact CG-CE1 4.21Å; F88-F309 HydrophobicContact CG-CE2 4.12Å; F88-F309 AromaticContact CG-CZ 3.5Å; F88-F309 HydrophobicContact CG-CZ 3.5Å; F88-F309 VanDerWaalsContact CG-CZ 3.5Å; F88-F309 HydrophobicContact CZ-CE2 4.39Å
89C94.6Very high96.1Very high99 Ų9933.7 Ų33.767%0.66918%0.181SC*.THydrogen-bonded Turntrans-69.9-28.7176-71.40000112.4D87D87-C89 PolarHBondContact O-N 3.17Å; D87-C89 VanDerWaalsContact OD1-CB 3.3Å; D87-C89 WeakPolarHBondContact OD1-CB 3.42Å; D87-C89 PolarHBondContact OD1-N 3.02Å; D87-C89 PolarHBondContact OD1-SG 3.45Å; D87-C89 PolarHBondContact OD2-SG 3.04Å
90R95.6Very high96Very high121 Ų12133.8 Ų33.846%0.45718%0.182SC..THydrogen-bonded Turntrans-88.6-3.8179.2-66.2161.763.2178.57.1113.3D27 Y30 Q33 F88 D92D27-R90 IonicContact OD1-CZ 2.55Å; D27-R90 IonicContact OD1-NH1 3.51Å; D27-R90 PolarHBondContact OD1-NH1 3.03Å; D27-R90 IonicContact OD1-NH2 3.56Å; Y30-R90 HydrophobicContact CD1-CB 3.94Å; Y30-R90 HydrophobicContact CD2-CB 4.4Å; Y30-R90 VanDerWaalsContact CD2-CZ 3.41Å; Y30-R90 HydrophobicContact CE1-CB 3.53Å; Y30-R90 HydrophobicContact CE2-CB 4.03Å; Y30-R90 HydrophobicContact CG-CB 4.36Å; Q33-R90 PolarHBondContact NE2-O 3.35Å; F88-R90 VanDerWaalsContact C-N 3.31Å; R90-D92 PolarHBondContact O-N 3.44Å
91L96.2Very high96Very high11 Ų1138.9 Ų38.96%0.05821%0.205CC..  trans-78.9119.3-177.1-166.874000110.3Y30 F47 I78 F88 R93 I96 L134 F309Y30-L91 HydrophobicContact CE1-CD1 4.48Å; F47-L91 HydrophobicContact CE2-CD1 3.54Å; F47-L91 HydrophobicContact CZ-CD1 3.75Å; I78-L91 HydrophobicContact CG1-CD1 4.26Å; I78-L91 HydrophobicContact CG1-CD2 4.31Å; F88-L91 HydrophobicContact CB-CB 4.22Å; F88-L91 HydrophobicContact CB-CD2 4.42Å; F88-L91 HydrophobicContact CD1-CD2 4.03Å; F88-L91 PolarHBondContact O-N 3.29Å; L91-R93 HydrophobicContact CB-CG 4.42Å; L91-R93 HydrophobicContact CD2-CG 4.08Å; L91-R93 HydrophobicContact CG-CG 4.27Å; L91-R93 PolarHBondContact O-N 3.38Å; L91-I96 HydrophobicContact CD1-CD1 3.58Å; L91-I96 HydrophobicContact CD2-CD1 4.4Å; L91-I96 HydrophobicContact CG-CD1 3.78Å; L91-L134 HydrophobicContact CD2-CD2 3.98Å; L91-F309 HydrophobicContact CD2-CE1 4.16Å; L91-F309 HydrophobicContact CD2-CZ 3.79Å
92D95Very high95.9Very high37 Ų3740.3 Ų40.320%0.19822%0.217CC..  trans-80.671.9176.4-172.7-7.8000110.1T35 A36 R90 D94 S95 I96T35-D92 WeakPolarHBondContact CA-OD2 3.48Å; T35-D92 WeakPolarHBondContact CB-OD2 3.24Å; T35-D92 HydrophobicContact CG2-CB 3.79Å; A36-D92 PolarHBondContact N-OD2 2.84Å; A36-D92 VanDerWaalsContact N-OD2 3.11Å; R90-D92 PolarHBondContact O-N 3.44Å; D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact O-N 3.39Å; D92-S95 VanDerWaalsContact CG-CB 3.41Å; D92-S95 PolarHBondContact O-N 3.49Å; D92-S95 VanDerWaalsContact OD1-CB 3.28Å; D92-S95 WeakPolarHBondContact OD1-CB 3.49Å; D92-S95 PolarHBondContact OD1-N 2.85Å; D92-S95 PolarHBondContact OD1-OG 3.28Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.47Å; D92-S95 PolarHBondContact OD2-OG 2.95Å; D92-I96 VanDerWaalsContact O-CG1 3.29Å; D92-I96 WeakPolarHBondContact O-CG1 3.17Å; D92-I96 PolarHBondContact O-N 2.92Å
93R95.2Very high95.9Very high54 Ų5440.3 Ų40.320%0.20422%0.217CC..Hα-helixtrans-55.9-46.3-173.6-58.4169.4-159.7-167.8-5.3111.9F88 L91 S95 I96 L97 L134 F309F88-R93 PolarHBondContact O-NH2 3.41Å; L91-R93 HydrophobicContact CB-CG 4.42Å; L91-R93 HydrophobicContact CD2-CG 4.08Å; L91-R93 HydrophobicContact CG-CG 4.27Å; L91-R93 PolarHBondContact O-N 3.38Å; R93-S95 VanDerWaalsContact C-N 3.33Å; R93-S95 PolarHBondContact O-N 3.43Å; R93-I96 PolarHBondContact O-N 2.85Å; R93-L97 WeakPolarHBondContact O-CB 3.38Å; R93-L97 VanDerWaalsContact O-CG 3.3Å; R93-L97 WeakPolarHBondContact O-CG 3.38Å; R93-L97 PolarHBondContact O-N 3.3Å; R93-L134 HydrophobicContact CG-CD2 4.08Å; R93-F309 HydrophobicContact CG-CE1 4.39Å; R93-F309 VanDerWaalsContact CZ-CE1 3.42Å
94D95.1Very high95.9Very high78 Ų7841.8 Ų41.842%0.41722%0.224SC..Hα-helixtrans-65.2-39.8-174.9-63.8-8.1000110.7D92 K98 R316D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact O-N 3.39Å; D94-K98 WeakPolarHBondContact O-CG 3.47Å; D94-K98 PolarHBondContact O-N 3.47Å; D94-K98 VanDerWaalsContact O-N 3.15Å; D94-R316 IonicContact OD1-NH1 3.83Å; D94-R316 IonicContact OD1-NH2 2.86Å
95S94.5Very high95.9Very high7 Ų744.3 Ų44.35%0.04924%0.236CC..Hα-helixtrans-75.1-35.8176.7-52.40000112.1A36 C45 D92 R93 L97 K98 G99A36-S95 WeakPolarHBondContact CB-OG 3.23Å; C45-S95 VanDerWaalsContact CB-CB 3.46Å; D92-S95 VanDerWaalsContact CG-CB 3.41Å; D92-S95 PolarHBondContact O-N 3.49Å; D92-S95 VanDerWaalsContact OD1-CB 3.28Å; D92-S95 WeakPolarHBondContact OD1-CB 3.49Å; D92-S95 PolarHBondContact OD1-N 2.85Å; D92-S95 PolarHBondContact OD1-OG 3.28Å; D92-S95 VanDerWaalsContact OD2-CB 3.29Å; D92-S95 WeakPolarHBondContact OD2-CB 3.47Å; D92-S95 PolarHBondContact OD2-OG 2.95Å; R93-S95 VanDerWaalsContact C-N 3.33Å; R93-S95 PolarHBondContact O-N 3.43Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 2.99Å; S95-K98 PolarHBondContact O-N 2.9Å; S95-G99 PolarHBondContact O-N 2.55Å
96I96.6Very high95.9Very high2 Ų249.8 Ų49.81%0.0125%0.249CC..Hα-helixtrans-58.3-46.9171.8-72166.3000110.8F47 T74 L91 D92 R93 K98 G99 V100 I130 L134F47-I96 HydrophobicContact CE2-CD1 4.09Å; T74-I96 HydrophobicContact CG2-CD1 4.48Å; T74-I96 HydrophobicContact CG2-CG1 4.38Å; T74-I96 HydrophobicContact CG2-CG2 3.77Å; L91-I96 HydrophobicContact CD1-CD1 3.58Å; L91-I96 HydrophobicContact CD2-CD1 4.4Å; L91-I96 HydrophobicContact CG-CD1 3.78Å; D92-I96 VanDerWaalsContact O-CG1 3.29Å; D92-I96 WeakPolarHBondContact O-CG1 3.17Å; D92-I96 PolarHBondContact O-N 2.92Å; R93-I96 PolarHBondContact O-N 2.85Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 2.57Å; I96-G99 WeakPolarHBondContact O-CA 3.37Å; I96-G99 PolarHBondContact O-N 3.16Å; I96-G99 VanDerWaalsContact O-N 3.11Å; I96-V100 WeakPolarHBondContact O-CG2 3.35Å; I96-V100 PolarHBondContact O-N 3.34Å; I96-I130 HydrophobicContact CG2-CG2 3.71Å; I96-L134 HydrophobicContact CG2-CD1 4.03Å
97L97.2Very high95.9Very high14 Ų1452.1 Ų52.17%0.07326%0.262CS..Hα-helixtrans-64.1-38.4179.6-72.2169.1000111.8R93 S95 G99 V100 Q101 L134 D136 P139R93-L97 WeakPolarHBondContact O-CB 3.38Å; R93-L97 VanDerWaalsContact O-CG 3.3Å; R93-L97 WeakPolarHBondContact O-CG 3.38Å; R93-L97 PolarHBondContact O-N 3.3Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 2.99Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-V100 PolarHBondContact O-N 3.2Å; L97-Q101 PolarHBondContact O-N 3.1Å; L97-L134 HydrophobicContact CD1-CD1 4.41Å; L97-L134 HydrophobicContact CD2-CB 4.25Å; L97-L134 HydrophobicContact CD2-CD1 3.83Å; L97-L134 HydrophobicContact CG-CD1 3.87Å; L97-D136 HydrophobicContact CD1-CB 3.89Å; L97-D136 HydrophobicContact CD2-CB 4.24Å; L97-P139 HydrophobicContact CB-CG 3.7Å; L97-P139 HydrophobicContact CD2-CG 3.78Å; L97-P139 HydrophobicContact CG-CG 4.26Å; L97-P139 WeakPolarHBondContact O-CB 3.33Å
98K96Very high96Very high102 Ų10248.1 Ų48.144%0.44324%0.24SC..Hα-helixtrans-65.7-35.8171.7-71.3170.6-174.6172.20112.4P42 D94 S95 I96 Q101 A102P42-K98 HydrophobicContact CB-CB 3.92Å; P42-K98 HydrophobicContact CB-CD 3.39Å; P42-K98 HydrophobicContact CB-CG 4.3Å; P42-K98 HydrophobicContact CG-CD 4.23Å; D94-K98 WeakPolarHBondContact O-CG 3.47Å; D94-K98 PolarHBondContact O-N 3.47Å; D94-K98 VanDerWaalsContact O-N 3.15Å; S95-K98 PolarHBondContact O-N 2.9Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 2.57Å; K98-Q101 WeakPolarHBondContact O-CB 3.26Å; K98-Q101 PolarHBondContact O-N 3.41Å; K98-A102 PolarHBondContact O-N 3.35Å; K98-A102 VanDerWaalsContact O-N 3.08Å
99G95.2Very high96.1Very high4 Ų448 Ų484%0.04124%0.24CC..Hα-helixtrans-61.1-46171.100000112.3P42 S43 S95 I96 L97 Q101 A102 C103P42-G99 PolarHBondContact O-N 3.23Å; S43-G99 WeakPolarHBondContact O-CA 3.47Å; S95-G99 PolarHBondContact O-N 2.55Å; I96-G99 WeakPolarHBondContact O-CA 3.37Å; I96-G99 PolarHBondContact O-N 3.16Å; I96-G99 VanDerWaalsContact O-N 3.11Å; L97-G99 VanDerWaalsContact C-N 3.34Å; G99-Q101 PolarHBondContact O-N 2.98Å; G99-A102 PolarHBondContact O-N 3.42Å; G99-C103 PolarHBondContact O-N 3.08Å; G99-C103 PolarHBondContact O-SG 3.28Å
100V97.1Very high96.2Very high1 Ų143.3 Ų43.31%0.00621%0.208CC..Hα-helixtrans-58.5-47.1173.4174.40000111.1L71 I96 L97 A102 C103 A127 I130 P139 I140L71-V100 HydrophobicContact CD2-CG2 3.81Å; I96-V100 WeakPolarHBondContact O-CG2 3.35Å; I96-V100 PolarHBondContact O-N 3.34Å; L97-V100 PolarHBondContact O-N 3.2Å; V100-A102 VanDerWaalsContact C-N 3.3Å; V100-A102 PolarHBondContact O-N 2.93Å; V100-C103 WeakPolarHBondContact O-CB 3.26Å; V100-C103 PolarHBondContact O-N 2.64Å; V100-C103 VanDerWaalsContact O-N 3.1Å; V100-A127 HydrophobicContact CG1-CB 3.85Å; V100-I130 HydrophobicContact CG2-CB 4.38Å; V100-I130 HydrophobicContact CG2-CD1 4.35Å; V100-I130 HydrophobicContact CG2-CG2 3.91Å; V100-P139 HydrophobicContact CG1-CB 4.39Å; V100-I140 HydrophobicContact CG1-CD1 4.16Å; V100-I140 HydrophobicContact CG1-CG1 4.03Å
101Q97.2Very high96.3Very high110 Ų11039.4 Ų39.451%0.51419%0.194SC..Hα-helixtrans-55.6-44.8178.3-175167.453.500112.1L97 K98 G99 C103 Q104 P139L97-Q101 PolarHBondContact O-N 3.1Å; K98-Q101 WeakPolarHBondContact O-CB 3.26Å; K98-Q101 PolarHBondContact O-N 3.41Å; G99-Q101 PolarHBondContact O-N 2.98Å; Q101-C103 PolarHBondContact O-N 3.4Å; Q101-Q104 PolarHBondContact O-N 3.47Å; Q101-P139 HydrophobicContact CB-CB 3.91Å; Q101-P139 WeakPolarHBondContact CG-O 3.28Å
102A95.8Very high96.1Very high30 Ų3039 Ų3925%0.24819%0.191CC..Hα-helixtrans-70.1-15.4-178.400000114.2K98 G99 V100 R111 P114K98-A102 PolarHBondContact O-N 3.35Å; K98-A102 VanDerWaalsContact O-N 3.08Å; G99-A102 PolarHBondContact O-N 3.42Å; V100-A102 VanDerWaalsContact C-N 3.3Å; V100-A102 PolarHBondContact O-N 2.93Å; A102-R111 PolarHBondContact O-NH2 3.37Å; A102-P114 HydrophobicContact CB-CB 4.16Å; A102-P114 HydrophobicContact CB-CG 3.66Å
103C96.8Very high96Very high3 Ų337.4 Ų37.42%0.0218%0.183CC..Hα-helixtrans-83-21.6178.2-65.90000113.2L71 G99 V100 Q101 I110 R111 N113L71-C103 HydrophobicContact CD1-CB 3.92Å; G99-C103 PolarHBondContact O-N 3.08Å; G99-C103 PolarHBondContact O-SG 3.28Å; V100-C103 WeakPolarHBondContact O-CB 3.26Å; V100-C103 PolarHBondContact O-N 2.64Å; V100-C103 VanDerWaalsContact O-N 3.1Å; Q101-C103 PolarHBondContact O-N 3.4Å; C103-I110 HydrophobicContact CB-CG2 3.97Å; C103-R111 WeakPolarHBondContact CB-O 3Å; C103-R111 PolarHBondContact O-N 3.08Å; C103-N113 VanDerWaalsContact SG-CA 3.59Å
104Q97.7Very high95.6Very high33 Ų3336.5 Ų36.515%0.15418%0.184CC..BIsolated β-bridgetrans-75.8128.6-179.6-168.1179.532.600111.1Q101 I110 N141Q101-Q104 PolarHBondContact O-N 3.47Å; Q104-I110 HydrophobicContact CB-CG1 4.33Å; Q104-I110 HydrophobicContact CG-CG1 4.2Å; Q104-N141 PolarHBondContact NE2-O 2.81Å; Q104-N141 VanDerWaalsContact OE1-CB 3.31Å
105M96.6Very high95.1Very high69 Ų6937.8 Ų37.834%0.3419%0.19SC..  trans-87.7168.8177.7-60.4-175.875.300112D107 G108 S109 R111M105-D107 VanDerWaalsContact C-N 3.26Å; M105-D107 PolarHBondContact O-N 3.07Å; M105-G108 PolarHBondContact O-N 3.4Å; M105-G108 VanDerWaalsContact O-N 3.09Å; M105-S109 PolarHBondContact N-O 3.49Å; M105-S109 PolarHBondContact SD-OG 3.19Å; M105-S109 VanDerWaalsContact SD-OG 3.33Å; M105-R111 HydrophobicContact CG-CG 3.73Å; M105-R111 VanDerWaalsContact SD-CD 3.54Å; M105-R111 HydrophobicContact SD-CG 3.6Å; M105-R111 VanDerWaalsContact SD-CG 3.6Å
106E95.7Very high94.6Very high160 Ų16040.3 Ų40.375%0.74820%0.203SC*.THydrogen-bonded Turntrans-59.2-36.3-179.5-170.9177.8-17600113.1G108 R144E106-G108 PolarHBondContact O-N 2.83Å; E106-R144 WeakPolarHBondContact O-CD 3.41Å; E106-R144 PolarHBondContact O-NH1 2.98Å; E106-R144 VanDerWaalsContact O-NH1 3.08Å
107D95Very high94.1Very high73 Ų7346.9 Ų46.939%0.3924%0.239SC..THydrogen-bonded Turntrans-77.1-3.8-179.777.9-24.2000114.2M105 S109M105-D107 VanDerWaalsContact C-N 3.26Å; M105-D107 PolarHBondContact O-N 3.07Å; D107-S109 VanDerWaalsContact OD1-CB 3.23Å; D107-S109 WeakPolarHBondContact OD1-CB 3.32Å; D107-S109 PolarHBondContact OD1-N 3.24Å; D107-S109 PolarHBondContact OD1-OG 3.42Å
108G97.3Very high93.8Very high0 Ų051.2 Ų51.20%026%0.258CS..SBendtrans93.5-9.7-178.500000115.1M105 E106 L145M105-G108 PolarHBondContact O-N 3.4Å; M105-G108 VanDerWaalsContact O-N 3.09Å; E106-G108 PolarHBondContact O-N 2.83Å; G108-L145 WeakPolarHBondContact O-CD1 3.33Å
109S97.3Very high93.7Very high0 Ų047.6 Ų47.60%025%0.246CC..  trans-65.2160.3172.771.10000111.1M105 D107 S119 F148M105-S109 PolarHBondContact N-O 3.49Å; M105-S109 PolarHBondContact SD-OG 3.19Å; M105-S109 VanDerWaalsContact SD-OG 3.33Å; D107-S109 VanDerWaalsContact OD1-CB 3.23Å; D107-S109 WeakPolarHBondContact OD1-CB 3.32Å; D107-S109 PolarHBondContact OD1-N 3.24Å; D107-S109 PolarHBondContact OD1-OG 3.42Å; S109-S119 WeakPolarHBondContact OG-CB 3.21Å; S109-S119 PolarHBondContact OG-OG 2.98Å; S109-F148 VanDerWaalsContact CB-CD2 3.5Å
110I97.9Very high93.7Very high0 Ų047.8 Ų47.80%025%0.246CC..BIsolated β-bridgetrans-123.9133.1-178.5-61.6-171.5000109.1L71 C103 Q104 S119 D120 H123 V124 A127 L145L71-I110 HydrophobicContact CD1-CG2 3.5Å; L71-I110 VanDerWaalsContact CD1-CG2 3.5Å; C103-I110 HydrophobicContact CB-CG2 3.97Å; Q104-I110 HydrophobicContact CB-CG1 4.33Å; Q104-I110 HydrophobicContact CG-CG1 4.2Å; I110-S119 WeakPolarHBondContact O-CA 3.22Å; I110-S119 VanDerWaalsContact O-CB 3.27Å; I110-S119 WeakPolarHBondContact O-CB 3.33Å; I110-D120 PolarHBondContact O-N 2.71Å; I110-H123 HydrophobicContact CB-CB 4.28Å; I110-H123 HydrophobicContact CG2-CB 4Å; I110-H123 WeakPolarHBondContact O-CB 3.47Å; I110-V124 HydrophobicContact CB-CG2 4.13Å; I110-V124 HydrophobicContact CD1-CG2 4.48Å; I110-V124 HydrophobicContact CG1-CG2 4.18Å; I110-A127 HydrophobicContact CD1-CB 3.54Å; I110-A127 HydrophobicContact CG2-CB 4.01Å; I110-L145 HydrophobicContact CD1-CD1 3.9Å; I110-L145 HydrophobicContact CG1-CD1 4.15Å
111R96.3Very high93.8Very high40 Ų4047.8 Ų47.815%0.15125%0.246CC..BIsolated β-bridgetrans-90.2161177.6-61176.2-56.7150.1-5.4111.3L71 A102 C103 M105 N113 P114 N116 E118L71-R111 VanDerWaalsContact CD1-O 3.26Å; L71-R111 WeakPolarHBondContact CD1-O 3.28Å; A102-R111 PolarHBondContact O-NH2 3.37Å; C103-R111 WeakPolarHBondContact CB-O 3Å; C103-R111 PolarHBondContact O-N 3.08Å; M105-R111 HydrophobicContact CG-CG 3.73Å; M105-R111 VanDerWaalsContact SD-CD 3.54Å; M105-R111 HydrophobicContact SD-CG 3.6Å; M105-R111 VanDerWaalsContact SD-CG 3.6Å; R111-N113 VanDerWaalsContact C-N 3.31Å; R111-N113 WeakPolarHBondContact CB-O 3.24Å; R111-N113 PolarHBondContact O-N 3.5Å; R111-P114 VanDerWaalsContact CZ-O 3.31Å; R111-P114 PolarHBondContact NH1-O 2.81Å; R111-P114 PolarHBondContact NH2-O 2.99Å; R111-P114 VanDerWaalsContact NH2-O 3.12Å; R111-N116 VanDerWaalsContact CD-O 3.22Å; R111-N116 WeakPolarHBondContact CD-O 3.37Å; R111-N116 PolarHBondContact NH1-O 2.71Å; R111-E118 WeakPolarHBondContact CA-O 3.48Å
112S93.6Very high93.8Very high1 Ų147.4 Ų47.41%0.00724%0.24CC..SBendtrans-62-38.5174.142.40000113.4H70 L71 N116 E118 H123H70-S112 WeakPolarHBondContact CA-O 3.5Å; H70-S112 VanDerWaalsContact CD2-CB 3.49Å; H70-S112 WeakPolarHBondContact CD2-CB 3.31Å; H70-S112 WeakPolarHBondContact NE2-CB 3.5Å; L71-S112 WeakPolarHBondContact CG-O 3.5Å; L71-S112 PolarHBondContact N-O 3.42Å; S112-N116 PolarHBondContact OG-ND2 3.15Å; S112-E118 PolarHBondContact N-O 3.37Å; S112-H123 VanDerWaalsContact CA-CD2 3.48Å; S112-H123 WeakPolarHBondContact CA-CD2 3.36Å; S112-H123 WeakPolarHBondContact CB-NE2 3.18Å
113N90.9Very high93.9Very high4 Ų446.1 Ų46.12%0.02123%0.228CC..SBendtrans-156.2169.8173.669.746.6000109.2V69 C103 R111 L115 N116V69-N113 WeakPolarHBondContact O-CB 3.35Å; V69-N113 PolarHBondContact O-ND2 3.28Å; C103-N113 VanDerWaalsContact SG-CA 3.59Å; R111-N113 VanDerWaalsContact C-N 3.31Å; R111-N113 WeakPolarHBondContact CB-O 3.24Å; R111-N113 PolarHBondContact O-N 3.5Å; N113-L115 PolarHBondContact O-N 3.4Å; N113-L115 WeakPolarHBondContact OD1-CA 3.31Å; N113-L115 WeakPolarHBondContact OD1-CB 3.17Å; N113-L115 PolarHBondContact OD1-N 3.22Å; N113-N116 PolarHBondContact ND2-ND2 3.21Å; N113-N116 VanDerWaalsContact ND2-ND2 3.12Å; N113-N116 PolarHBondContact O-N 3.37Å; N113-N116 PolarHBondContact OD1-N 3.07Å
114P86.9Confident94Very high36 Ų3646 Ų4623%0.23423%0.228CC..THydrogen-bonded Turntrans-71-12.8-175.6-16.628.7000115.6S43 A102 R111S43-P114 WeakPolarHBondContact O-CG 3.46Å; A102-P114 HydrophobicContact CB-CB 4.16Å; A102-P114 HydrophobicContact CB-CG 3.66Å; R111-P114 VanDerWaalsContact CZ-O 3.31Å; R111-P114 PolarHBondContact NH1-O 2.81Å; R111-P114 PolarHBondContact NH2-O 2.99Å; R111-P114 VanDerWaalsContact NH2-O 3.12Å
115L84.9Confident94.1Very high104 Ų10445.2 Ų45.255%0.54522%0.223SC..THydrogen-bonded Turntrans-95.4-17.4-177.2-60.5180000113.2V67 N113V67-L115 HydrophobicContact CG2-CD1 4.23Å; N113-L115 PolarHBondContact O-N 3.4Å; N113-L115 WeakPolarHBondContact OD1-CA 3.31Å; N113-L115 WeakPolarHBondContact OD1-CB 3.17Å; N113-L115 PolarHBondContact OD1-N 3.22Å
116N84.2Confident94.1Very high60 Ų6042 Ų4232%0.32121%0.208SC..  trans-92.2159177.5-69.6-12.5000110.7R111 S112 N113R111-N116 VanDerWaalsContact CD-O 3.22Å; R111-N116 WeakPolarHBondContact CD-O 3.37Å; R111-N116 PolarHBondContact NH1-O 2.71Å; S112-N116 PolarHBondContact OG-ND2 3.15Å; N113-N116 PolarHBondContact ND2-ND2 3.21Å; N113-N116 VanDerWaalsContact ND2-ND2 3.12Å; N113-N116 PolarHBondContact O-N 3.37Å; N113-N116 PolarHBondContact OD1-N 3.07Å
117D85.6Confident94.3Very high141 Ų14134.3 Ų34.375%0.75417%0.172SC*.  trans-101.1-15.9174.9-69.5-30.6000113.4S119D117-S119 PolarHBondContact O-N 2.92Å; D117-S119 VanDerWaalsContact O-N 3.15Å
118E91.4Very high94.5Very high105 Ų10530.9 Ų30.949%0.49115%0.153SC..  trans-67.5113.8-179.9-174.1-173-151.400110.7R111 S112 R122R111-E118 WeakPolarHBondContact CA-O 3.48Å; S112-E118 PolarHBondContact N-O 3.37Å; E118-R122 VanDerWaalsContact CD-NH2 3.31Å; E118-R122 IonicContact OE1-CZ 3.68Å; E118-R122 IonicContact OE1-NH2 2.62Å; E118-R122 PolarHBondContact OE1-NH2 3.42Å; E118-R122 IonicContact OE2-NH2 2.68Å
119S94.4Very high94.5Very high26 Ų2630.9 Ų30.918%0.18215%0.153CC..BIsolated β-bridgetrans-120.7132.6171.165.70000111.2S109 I110 D117 T162S109-S119 WeakPolarHBondContact OG-CB 3.21Å; S109-S119 PolarHBondContact OG-OG 2.98Å; I110-S119 WeakPolarHBondContact O-CA 3.22Å; I110-S119 VanDerWaalsContact O-CB 3.27Å; I110-S119 WeakPolarHBondContact O-CB 3.33Å; D117-S119 PolarHBondContact O-N 2.92Å; D117-S119 VanDerWaalsContact O-N 3.15Å; S119-T162 WeakPolarHBondContact O-CG2 3.25Å
120D95.9Very high94.6Very high8 Ų830.9 Ų30.94%0.04315%0.153CC..  trans-162.4179.4176.866.643.2000112.5I110 R122 H123 V124 Q161 T162I110-D120 PolarHBondContact O-N 2.71Å; D120-R122 PolarHBondContact O-N 3.12Å; D120-R122 WeakPolarHBondContact OD1-CA 3.32Å; D120-R122 WeakPolarHBondContact OD1-CB 3.38Å; D120-R122 WeakPolarHBondContact OD1-CG 3.44Å; D120-R122 PolarHBondContact OD1-N 3.33Å; D120-R122 IonicContact OD1-NE 3.75Å; D120-R122 PolarHBondContact OD1-NE 3.19Å; D120-R122 VanDerWaalsContact OD1-NE 3.16Å; D120-R122 IonicContact OD2-CZ 3.49Å; D120-R122 IonicContact OD2-NE 3.86Å; D120-R122 PolarHBondContact OD2-NE 2.85Å; D120-R122 IonicContact OD2-NH2 2.71Å; D120-R122 PolarHBondContact OD2-NH2 2.99Å; D120-H123 PolarHBondContact O-N 3.08Å; D120-H123 IonicContact OD1-CE1 3.75Å; D120-H123 IonicContact OD1-ND1 2.71Å; D120-H123 PolarHBondContact OD1-ND1 2.92Å; D120-H123 IonicContact OD2-CE1 3.99Å; D120-V124 PolarHBondContact O-N 3.36Å; D120-Q161 WeakPolarHBondContact CA-O 3.41Å; D120-Q161 HydrophobicContact CB-CB 4.2Å; D120-Q161 WeakPolarHBondContact CB-O 3.33Å; D120-T162 HydrophobicContact CB-CG2 3.83Å
121M98.1Very high94.6Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-60.8-24.6-176.7-156.160.667.500114.3V124 Y125 F148 I149 C152 Q161 S171 C174 A175M121-V124 WeakPolarHBondContact O-CB 3.44Å; M121-V124 PolarHBondContact O-N 2.79Å; M121-V124 HydrophobicContact SD-CB 4.09Å; M121-V124 HydrophobicContact SD-CG1 4.06Å; M121-V124 HydrophobicContact SD-CG2 4.36Å; M121-Y125 PolarHBondContact O-N 2.94Å; M121-Y125 VanDerWaalsContact O-N 3.1Å; M121-F148 HydrophobicContact CE-CE1 4.06Å; M121-I149 HydrophobicContact CE-CG1 4.39Å; M121-I149 HydrophobicContact SD-CG1 4.07Å; M121-C152 HydrophobicContact CE-CB 3.43Å; M121-C152 VanDerWaalsContact CE-CB 3.43Å; M121-Q161 PolarHBondContact N-O 3.27Å; M121-S171 WeakPolarHBondContact CG-O 3.42Å; M121-C174 HydrophobicContact CB-CB 4.25Å; M121-C174 HydrophobicContact CG-CB 3.61Å; M121-C174 VanDerWaalsContact O-CB 3.3Å; M121-C174 WeakPolarHBondContact O-CB 3.35Å; M121-A175 HydrophobicContact CE-CB 4.22Å; M121-A175 HydrophobicContact CG-CB 4.09Å; M121-A175 HydrophobicContact SD-CB 3.81Å
122R98Very high94.6Very high103 Ų10332 Ų3239%0.38916%0.158SC..Hα-helixtrans-65.7-42.8177.9-55.9173.7-71.6168-3.4110.5E118 D120 Y125 A126E118-R122 VanDerWaalsContact CD-NH2 3.31Å; E118-R122 IonicContact OE1-CZ 3.68Å; E118-R122 IonicContact OE1-NH2 2.62Å; E118-R122 PolarHBondContact OE1-NH2 3.42Å; E118-R122 IonicContact OE2-NH2 2.68Å; D120-R122 PolarHBondContact O-N 3.12Å; D120-R122 WeakPolarHBondContact OD1-CA 3.32Å; D120-R122 WeakPolarHBondContact OD1-CB 3.38Å; D120-R122 WeakPolarHBondContact OD1-CG 3.44Å; D120-R122 PolarHBondContact OD1-N 3.33Å; D120-R122 IonicContact OD1-NE 3.75Å; D120-R122 PolarHBondContact OD1-NE 3.19Å; D120-R122 VanDerWaalsContact OD1-NE 3.16Å; D120-R122 IonicContact OD2-CZ 3.49Å; D120-R122 IonicContact OD2-NE 3.86Å; D120-R122 PolarHBondContact OD2-NE 2.85Å; D120-R122 IonicContact OD2-NH2 2.71Å; D120-R122 PolarHBondContact OD2-NH2 2.99Å; R122-Y125 PolarHBondContact O-N 3.05Å; R122-A126 PolarHBondContact O-N 3.35Å; R122-A126 VanDerWaalsContact O-N 3.08Å
123H97.9Very high94.8Very high2 Ų232 Ų321%0.00916%0.158CC..Hα-helixtrans-72.3-32.9178.7-54122.3000111.8H70 L71 I110 S112 D120 A126 A127H70-H123 AromaticContact CE1-CD2 3.86Å; H70-H123 AromaticContact CE1-NE2 3.65Å; H70-H123 AromaticContact NE2-NE2 3.88Å; L71-H123 HydrophobicContact CD1-CB 4.48Å; I110-H123 HydrophobicContact CB-CB 4.28Å; I110-H123 HydrophobicContact CG2-CB 4Å; I110-H123 WeakPolarHBondContact O-CB 3.47Å; S112-H123 VanDerWaalsContact CA-CD2 3.48Å; S112-H123 WeakPolarHBondContact CA-CD2 3.36Å; S112-H123 WeakPolarHBondContact CB-NE2 3.18Å; D120-H123 PolarHBondContact O-N 3.08Å; D120-H123 IonicContact OD1-CE1 3.75Å; D120-H123 IonicContact OD1-ND1 2.71Å; D120-H123 PolarHBondContact OD1-ND1 2.92Å; D120-H123 IonicContact OD2-CE1 3.99Å; H123-A126 PolarHBondContact O-N 2.62Å; H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.68Å
124V98.6Very high95Very high0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-56.2-52.1169.8167.30000110.9I110 D120 M121 A126 A127 V128 L145 F148 I149I110-V124 HydrophobicContact CB-CG2 4.13Å; I110-V124 HydrophobicContact CD1-CG2 4.48Å; I110-V124 HydrophobicContact CG1-CG2 4.18Å; D120-V124 PolarHBondContact O-N 3.36Å; M121-V124 WeakPolarHBondContact O-CB 3.44Å; M121-V124 PolarHBondContact O-N 2.79Å; M121-V124 HydrophobicContact SD-CB 4.09Å; M121-V124 HydrophobicContact SD-CG1 4.06Å; M121-V124 HydrophobicContact SD-CG2 4.36Å; V124-A126 PolarHBondContact O-N 2.93Å; V124-A127 PolarHBondContact O-N 3.48Å; V124-V128 HydrophobicContact CG1-CG2 4.46Å; V124-V128 WeakPolarHBondContact O-CB 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.48Å; V124-V128 PolarHBondContact O-N 2.72Å; V124-L145 HydrophobicContact CB-CD1 4.33Å; V124-L145 HydrophobicContact CG1-CD1 3.77Å; V124-L145 HydrophobicContact CG1-CG 4.49Å; V124-L145 HydrophobicContact CG2-CD1 3.77Å; V124-F148 HydrophobicContact CG2-CD1 3.94Å; V124-F148 HydrophobicContact CG2-CE1 3.76Å; V124-I149 HydrophobicContact CG1-CD1 4.05Å; V124-I149 HydrophobicContact CG1-CG1 4.26Å
125Y98.8Very high95.4Very high17 Ų1733 Ų337%0.06716%0.16CC..Hα-helixtrans-59.2-47.9177.5169.3-104.3000112.1Y75 M121 R122 A127 V128 A129 Y173 C174 A177 S178 L181 A294Y75-Y125 HydrophobicContact CE1-CE1 4.33Å; Y75-Y125 AromaticContact CE2-CE1 3.99Å; Y75-Y125 HydrophobicContact CE2-CE1 3.99Å; Y75-Y125 AromaticContact CZ-CE1 3.86Å; Y75-Y125 PolarHBondContact OH-OH 3.32Å; M121-Y125 PolarHBondContact O-N 2.94Å; M121-Y125 VanDerWaalsContact O-N 3.1Å; R122-Y125 PolarHBondContact O-N 3.05Å; Y125-A127 PolarHBondContact O-N 2.94Å; Y125-V128 PolarHBondContact O-N 3.16Å; Y125-A129 HydrophobicContact CE2-CB 4.37Å; Y125-A129 VanDerWaalsContact O-CB 3.25Å; Y125-A129 WeakPolarHBondContact O-CB 3.3Å; Y125-A129 PolarHBondContact O-N 3.01Å; Y125-Y173 HydrophobicContact CD2-CE1 4.28Å; Y125-Y173 HydrophobicContact CE1-CE1 4.27Å; Y125-Y173 AromaticContact CE2-CE1 3.98Å; Y125-Y173 HydrophobicContact CE2-CE1 3.98Å; Y125-Y173 AromaticContact CZ-CE1 3.98Å; Y125-Y173 PolarHBondContact OH-OH 3.23Å; Y125-C174 HydrophobicContact CG-CB 4.48Å; Y125-A177 HydrophobicContact CD2-CB 3.84Å; Y125-A177 HydrophobicContact CE2-CB 3.78Å; Y125-S178 WeakPolarHBondContact CA-OG 3.5Å; Y125-L181 HydrophobicContact CE2-CD1 4.46Å; Y125-A294 VanDerWaalsContact CE2-O 3.29Å; Y125-A294 WeakPolarHBondContact CE2-O 3.34Å; Y125-A294 PolarHBondContact OH-O 2.8Å; Y125-A294 VanDerWaalsContact OH-O 3.13Å
126A98.5Very high95.9Very high1 Ų130.3 Ų30.31%0.00815%0.146CC..Hα-helixtrans-58.9-46.8-179.900000112L71 V72 R122 H123 V124 A129 I130L71-A126 HydrophobicContact CB-CB 3.89Å; V72-A126 HydrophobicContact CG2-CB 4.14Å; R122-A126 PolarHBondContact O-N 3.35Å; R122-A126 VanDerWaalsContact O-N 3.08Å; H123-A126 PolarHBondContact O-N 2.62Å; V124-A126 PolarHBondContact O-N 2.93Å; A126-A129 PolarHBondContact O-N 3.24Å; A126-I130 WeakPolarHBondContact O-CB 3.27Å; A126-I130 VanDerWaalsContact O-CD1 3.31Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.43Å; A126-I130 PolarHBondContact O-N 3Å
127A98.5Very high96.5Very high0 Ų030.3 Ų30.30%014%0.143CC..Hα-helixtrans-61.3-48.9177.300000112.4L71 V100 I110 H123 V124 Y125 A129 I130 C131 I140L71-A127 HydrophobicContact CD1-CB 4.02Å; V100-A127 HydrophobicContact CG1-CB 3.85Å; I110-A127 HydrophobicContact CD1-CB 3.54Å; I110-A127 HydrophobicContact CG2-CB 4.01Å; H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.68Å; V124-A127 PolarHBondContact O-N 3.48Å; Y125-A127 PolarHBondContact O-N 2.94Å; A127-A129 VanDerWaalsContact C-N 3.35Å; A127-A129 PolarHBondContact O-N 3.27Å; A127-I130 PolarHBondContact O-N 3.16Å; A127-C131 PolarHBondContact O-N 3.43Å; A127-I140 HydrophobicContact CB-CD1 4.17Å
128V98.7Very high97.1Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-63.7-42.2-179.3170.80000110.9V124 Y125 C131 Y132 F137 I140 L145 L181 L182V124-V128 HydrophobicContact CG1-CG2 4.46Å; V124-V128 WeakPolarHBondContact O-CB 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.48Å; V124-V128 PolarHBondContact O-N 2.72Å; Y125-V128 PolarHBondContact O-N 3.16Å; V128-C131 PolarHBondContact O-N 3.34Å; V128-Y132 VanDerWaalsContact O-CB 3.26Å; V128-Y132 WeakPolarHBondContact O-CB 3.08Å; V128-Y132 PolarHBondContact O-N 3Å; V128-F137 HydrophobicContact CG1-CE1 4.1Å; V128-I140 HydrophobicContact CG2-CD1 4.39Å; V128-L145 HydrophobicContact CG2-CD2 3.63Å; V128-L181 HydrophobicContact CG1-CB 3.8Å; V128-L181 HydrophobicContact CG1-CD1 4.29Å; V128-L182 HydrophobicContact CG1-CD1 4.46Å; V128-L182 HydrophobicContact CG1-CD2 4.24Å; V128-L182 HydrophobicContact CG1-CG 3.89Å; V128-L182 HydrophobicContact CG2-CD1 4.25Å; V128-L182 HydrophobicContact CG2-CG 4.42Å
129A98.6Very high97.3Very high0 Ų023.4 Ų23.40%012%0.117CC..Hα-helixtrans-63.1-43176.600000111.8Y75 Y125 A126 A127 Y132 V133 L181Y75-A129 HydrophobicContact CD2-CB 3.71Å; Y75-A129 HydrophobicContact CE2-CB 3.85Å; Y125-A129 HydrophobicContact CE2-CB 4.37Å; Y125-A129 VanDerWaalsContact O-CB 3.25Å; Y125-A129 WeakPolarHBondContact O-CB 3.3Å; Y125-A129 PolarHBondContact O-N 3.01Å; A126-A129 PolarHBondContact O-N 3.24Å; A127-A129 VanDerWaalsContact C-N 3.35Å; A127-A129 PolarHBondContact O-N 3.27Å; A129-Y132 PolarHBondContact O-N 2.82Å; A129-V133 WeakPolarHBondContact O-CG1 3.12Å; A129-V133 WeakPolarHBondContact O-CG2 3.44Å; A129-V133 PolarHBondContact O-N 3.38Å; A129-L181 HydrophobicContact CB-CD1 4.18Å
130I98.2Very high97.5Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-60.3-51175.3-69.2160.9000110.7L71 T74 I78 I96 V100 A126 A127 Y132 V133 L134L71-I130 HydrophobicContact CD2-CD1 4.16Å; T74-I130 HydrophobicContact CG2-CD1 3.74Å; T74-I130 HydrophobicContact CG2-CG1 4.34Å; I78-I130 HydrophobicContact CD1-CG1 4.36Å; I78-I130 HydrophobicContact CD1-CG2 4.35Å; I96-I130 HydrophobicContact CG2-CG2 3.71Å; V100-I130 HydrophobicContact CG2-CB 4.38Å; V100-I130 HydrophobicContact CG2-CD1 4.35Å; V100-I130 HydrophobicContact CG2-CG2 3.91Å; A126-I130 WeakPolarHBondContact O-CB 3.27Å; A126-I130 VanDerWaalsContact O-CD1 3.31Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.43Å; A126-I130 PolarHBondContact O-N 3Å; A127-I130 PolarHBondContact O-N 3.16Å; I130-Y132 VanDerWaalsContact C-N 3.32Å; I130-Y132 PolarHBondContact O-N 2.84Å; I130-V133 VanDerWaalsContact O-CG2 3.28Å; I130-V133 WeakPolarHBondContact O-CG2 3.37Å; I130-V133 PolarHBondContact O-N 3.49Å; I130-L134 HydrophobicContact CG2-CD1 3.87Å; I130-L134 HydrophobicContact CG2-CG 4.48Å; I130-L134 WeakPolarHBondContact O-CB 3.34Å; I130-L134 WeakPolarHBondContact O-CG 3.34Å; I130-L134 PolarHBondContact O-N 3.07Å
131C97.9Very high97.6Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-60-41.8177.9-78.20000112.3A127 V128 L134 H135 D136 F137 I140A127-C131 PolarHBondContact O-N 3.43Å; V128-C131 PolarHBondContact O-N 3.34Å; C131-L134 PolarHBondContact O-N 2.92Å; C131-H135 PolarHBondContact O-N 3.34Å; C131-D136 WeakPolarHBondContact CA-O 3.27Å; C131-D136 WeakPolarHBondContact CB-O 3.28Å; C131-D136 PolarHBondContact O-N 3.2Å; C131-D136 PolarHBondContact SG-O 2.91Å; C131-F137 HydrophobicContact CB-CD1 3.43Å; C131-F137 VanDerWaalsContact CB-CD1 3.43Å; C131-F137 HydrophobicContact CB-CE1 3.57Å; C131-F137 HydrophobicContact CB-CG 4.17Å; C131-F137 HydrophobicContact CB-CZ 4.44Å; C131-I140 HydrophobicContact CB-CD1 4.26Å
132Y97.8Very high97.6Very high65 Ų6527.2 Ų27.226%0.25514%0.135SC..Hα-helixtrans-60.2-48178.1-178.9-95.4000112V128 A129 I130 H135 F137 L181 L295 L306V128-Y132 VanDerWaalsContact O-CB 3.26Å; V128-Y132 WeakPolarHBondContact O-CB 3.08Å; V128-Y132 PolarHBondContact O-N 3Å; A129-Y132 PolarHBondContact O-N 2.82Å; I130-Y132 VanDerWaalsContact C-N 3.32Å; I130-Y132 PolarHBondContact O-N 2.84Å; Y132-H135 PolarHBondContact O-N 2.9Å; Y132-H135 VanDerWaalsContact O-N 3.17Å; Y132-F137 HydrophobicContact CD2-CE2 4.33Å; Y132-F137 HydrophobicContact CD2-CZ 4.09Å; Y132-F137 HydrophobicContact CG-CZ 4.46Å; Y132-L181 HydrophobicContact CD1-CD2 3.75Å; Y132-L181 HydrophobicContact CD2-CB 3.95Å; Y132-L181 HydrophobicContact CD2-CD2 3.95Å; Y132-L181 VanDerWaalsContact CD2-O 3.26Å; Y132-L181 WeakPolarHBondContact CD2-O 3.48Å; Y132-L181 HydrophobicContact CE1-CD2 3.81Å; Y132-L181 HydrophobicContact CE2-CD2 4.02Å; Y132-L181 HydrophobicContact CG-CB 4.18Å; Y132-L181 HydrophobicContact CG-CD2 3.81Å; Y132-L181 HydrophobicContact CG-CG 4.42Å; Y132-L295 HydrophobicContact CD1-CD1 4.31Å; Y132-L295 HydrophobicContact CD1-CD2 3.9Å; Y132-L295 HydrophobicContact CE1-CD1 4.05Å; Y132-L295 HydrophobicContact CE1-CD2 4.33Å; Y132-L295 HydrophobicContact CE1-CG 4.48Å; Y132-L306 HydrophobicContact CD1-CD2 4.04Å; Y132-L306 HydrophobicContact CE1-CD1 4.11Å; Y132-L306 HydrophobicContact CE1-CD2 3.64Å
133V96.8Very high97.6Very high0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-73-31-176.5-59.40000112.2I78 M79 A129 I130 H135 L295 L305 L306 F309I78-V133 HydrophobicContact CG2-CG2 3.95Å; M79-V133 HydrophobicContact CE-CG1 3.77Å; M79-V133 HydrophobicContact CE-CG2 4.33Å; A129-V133 WeakPolarHBondContact O-CG1 3.12Å; A129-V133 WeakPolarHBondContact O-CG2 3.44Å; A129-V133 PolarHBondContact O-N 3.38Å; I130-V133 VanDerWaalsContact O-CG2 3.28Å; I130-V133 WeakPolarHBondContact O-CG2 3.37Å; I130-V133 PolarHBondContact O-N 3.49Å; V133-H135 PolarHBondContact O-CD2 2.92Å; V133-H135 VanDerWaalsContact O-CD2 3.27Å; V133-H135 PolarHBondContact O-N 3.34Å; V133-L295 HydrophobicContact CG1-CD1 4.24Å; V133-L295 HydrophobicContact CG1-CD2 3.86Å; V133-L305 HydrophobicContact CB-CD1 4.3Å; V133-L305 HydrophobicContact CB-CD2 3.85Å; V133-L305 HydrophobicContact CB-CG 3.99Å; V133-L305 HydrophobicContact CG1-CD2 3.41Å; V133-L305 VanDerWaalsContact CG1-CD2 3.41Å; V133-L305 HydrophobicContact CG1-CG 4.05Å; V133-L306 HydrophobicContact CG1-CD2 4.49Å; V133-F309 WeakPolarHBondContact O-CB 3.36Å; V133-F309 WeakPolarHBondContact O-CD2 3.47Å; V133-F309 VanDerWaalsContact O-CG 3.32Å; V133-F309 WeakPolarHBondContact O-CG 3.21Å
134L95.7Very high97.6Very high12 Ų1232 Ų326%0.06317%0.166CC..THydrogen-bonded Turntrans-80.4-1.4173-62.5-177.4000113.4L91 R93 I96 L97 I130 C131 D136 F309L91-L134 HydrophobicContact CD2-CD2 3.98Å; R93-L134 HydrophobicContact CG-CD2 4.08Å; I96-L134 HydrophobicContact CG2-CD1 4.03Å; L97-L134 HydrophobicContact CD1-CD1 4.41Å; L97-L134 HydrophobicContact CD2-CB 4.25Å; L97-L134 HydrophobicContact CD2-CD1 3.83Å; L97-L134 HydrophobicContact CG-CD1 3.87Å; I130-L134 HydrophobicContact CG2-CD1 3.87Å; I130-L134 HydrophobicContact CG2-CG 4.48Å; I130-L134 WeakPolarHBondContact O-CB 3.34Å; I130-L134 WeakPolarHBondContact O-CG 3.34Å; I130-L134 PolarHBondContact O-N 3.07Å; C131-L134 PolarHBondContact O-N 2.92Å; L134-D136 PolarHBondContact O-N 3.26Å; L134-F309 HydrophobicContact CD2-CD1 4.07Å; L134-F309 HydrophobicContact CD2-CE1 3.63Å; L134-F309 HydrophobicContact CD2-CE2 4.13Å; L134-F309 HydrophobicContact CD2-CZ 3.68Å
135H94.7Very high97.6Very high49 Ų4932 Ų3223%0.22717%0.166CC..THydrogen-bonded Turntrans54.633.3-176.9-63.1-91.9000113.7C131 Y132 V133 F309 Q313C131-H135 PolarHBondContact O-N 3.34Å; Y132-H135 PolarHBondContact O-N 2.9Å; Y132-H135 VanDerWaalsContact O-N 3.17Å; V133-H135 PolarHBondContact O-CD2 2.92Å; V133-H135 VanDerWaalsContact O-CD2 3.27Å; V133-H135 PolarHBondContact O-N 3.34Å; H135-F309 VanDerWaalsContact CD2-CB 3.47Å; H135-F309 WeakPolarHBondContact CD2-CB 3.45Å; H135-Q313 PolarHBondContact O-NE2 2.81Å
136D96.2Very high97.6Very high48 Ų4832.4 Ų32.426%0.25717%0.169SC..  trans-142.5109.5179.8-170.7-1.5000111.9L97 C131 L134 S138L97-D136 HydrophobicContact CD1-CB 3.89Å; L97-D136 HydrophobicContact CD2-CB 4.24Å; C131-D136 WeakPolarHBondContact CA-O 3.27Å; C131-D136 WeakPolarHBondContact CB-O 3.28Å; C131-D136 PolarHBondContact O-N 3.2Å; C131-D136 PolarHBondContact SG-O 2.91Å; L134-D136 PolarHBondContact O-N 3.26Å; D136-S138 VanDerWaalsContact CG-OG 3.31Å; D136-S138 WeakPolarHBondContact OD1-CB 3.43Å; D136-S138 PolarHBondContact OD1-N 2.91Å; D136-S138 PolarHBondContact OD1-OG 3.49Å; D136-S138 PolarHBondContact OD2-OG 3.03Å
137F97.2Very high97.6Very high60 Ų6034.6 Ų34.626%0.26319%0.186SC..  trans-98.5-0.5174.5-73.5-72.2000113.6V128 C131 Y132 P139 I140 I142 L182V128-F137 HydrophobicContact CG1-CE1 4.1Å; C131-F137 HydrophobicContact CB-CD1 3.43Å; C131-F137 VanDerWaalsContact CB-CD1 3.43Å; C131-F137 HydrophobicContact CB-CE1 3.57Å; C131-F137 HydrophobicContact CB-CG 4.17Å; C131-F137 HydrophobicContact CB-CZ 4.44Å; Y132-F137 HydrophobicContact CD2-CE2 4.33Å; Y132-F137 HydrophobicContact CD2-CZ 4.09Å; Y132-F137 HydrophobicContact CG-CZ 4.46Å; F137-P139 VanDerWaalsContact O-N 3.17Å; F137-I140 PolarHBondContact O-N 3.36Å; F137-I142 HydrophobicContact CD1-CD1 4.36Å; F137-L182 HydrophobicContact CD1-CD2 3.74Å; F137-L182 HydrophobicContact CE1-CD2 3.5Å; F137-L182 VanDerWaalsContact CE1-CD2 3.5Å; F137-L182 HydrophobicContact CG-CD2 4.44Å; F137-L182 HydrophobicContact CZ-CD2 3.97Å
138S96.9Very high97.6Very high92 Ų9234.8 Ų34.864%0.64319%0.188SC*.THydrogen-bonded Turntrans-55.7-26.6177.772.20000115.1D136 I140D136-S138 VanDerWaalsContact CG-OG 3.31Å; D136-S138 WeakPolarHBondContact OD1-CB 3.43Å; D136-S138 PolarHBondContact OD1-N 2.91Å; D136-S138 PolarHBondContact OD1-OG 3.49Å; D136-S138 PolarHBondContact OD2-OG 3.03Å; S138-I140 VanDerWaalsContact C-N 3.27Å; S138-I140 PolarHBondContact O-N 3.29Å
139P95.8Very high97.6Very high9 Ų935 Ų356%0.05819%0.188CC..THydrogen-bonded Turntrans-64.1-25.2172.6-30.741.5000115.4L97 V100 Q101 F137L97-P139 HydrophobicContact CB-CG 3.7Å; L97-P139 HydrophobicContact CD2-CG 3.78Å; L97-P139 HydrophobicContact CG-CG 4.26Å; L97-P139 WeakPolarHBondContact O-CB 3.33Å; V100-P139 HydrophobicContact CG1-CB 4.39Å; Q101-P139 HydrophobicContact CB-CB 3.91Å; Q101-P139 WeakPolarHBondContact CG-O 3.28Å; F137-P139 VanDerWaalsContact O-N 3.17Å
140I98Very high97.5Very high10 Ų1039 Ų395%0.05121%0.21CC..SBendtrans-106.2127.6-169.6-56.6179.8000110V100 A127 V128 C131 F137 S138 I142 L145V100-I140 HydrophobicContact CG1-CD1 4.16Å; V100-I140 HydrophobicContact CG1-CG1 4.03Å; A127-I140 HydrophobicContact CB-CD1 4.17Å; V128-I140 HydrophobicContact CG2-CD1 4.39Å; C131-I140 HydrophobicContact CB-CD1 4.26Å; F137-I140 PolarHBondContact O-N 3.36Å; S138-I140 VanDerWaalsContact C-N 3.27Å; S138-I140 PolarHBondContact O-N 3.29Å; I140-I142 VanDerWaalsContact C-N 3.34Å; I140-I142 HydrophobicContact CB-CD1 3.92Å; I140-I142 HydrophobicContact CG2-CD1 3.73Å; I140-I142 PolarHBondContact O-N 3.03Å; I140-L145 HydrophobicContact CG2-CB 4.14Å; I140-L145 HydrophobicContact CG2-CD2 3.79Å
141N98.4Very high97.5Very high66 Ų6643.8 Ų43.835%0.35323%0.231SC..  trans-70.691.3163.4-172.3-43.8000109.4Q104 P143 R144 L145Q104-N141 PolarHBondContact NE2-O 2.81Å; Q104-N141 VanDerWaalsContact OE1-CB 3.31Å; N141-P143 VanDerWaalsContact OD1-CD 3.32Å; N141-P143 WeakPolarHBondContact OD1-CD 3.48Å; N141-R144 HydrophobicContact CB-CB 4.3Å; N141-R144 PolarHBondContact O-N 3.3Å; N141-R144 WeakPolarHBondContact OD1-CG 3.33Å; N141-R144 PolarHBondContact OD1-N 3.5Å; N141-R144 VanDerWaalsContact OD1-N 3.08Å; N141-L145 PolarHBondContact O-N 3.42Å
142I98.5Very high97.5Very high37 Ų3743.8 Ų43.819%0.1923%0.231CC..Hα-helixtrans-58.2-46.6-176.9-58.3-54.8000112.6F137 I140 R144 L145 L146 L182F137-I142 HydrophobicContact CD1-CD1 4.36Å; I140-I142 VanDerWaalsContact C-N 3.34Å; I140-I142 HydrophobicContact CB-CD1 3.92Å; I140-I142 HydrophobicContact CG2-CD1 3.73Å; I140-I142 PolarHBondContact O-N 3.03Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 3.11Å; I142-L145 PolarHBondContact O-N 3.47Å; I142-L146 HydrophobicContact CG2-CD1 3.77Å; I142-L146 HydrophobicContact CG2-CG 4.02Å; I142-L146 VanDerWaalsContact O-CG 3.31Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.21Å; I142-L182 HydrophobicContact CD1-CD2 3.57Å
143P98.4Very high97.5Very high97 Ų9742.5 Ų42.563%0.6323%0.225SC*.Hα-helixtrans-55.4-43.8177.3-28.535.6000114N141 A147N141-P143 VanDerWaalsContact OD1-CD 3.32Å; N141-P143 WeakPolarHBondContact OD1-CD 3.48Å; P143-A147 PolarHBondContact O-N 3.23Å
144R98.3Very high97.6Very high110 Ų11044.6 Ų44.642%0.41523%0.233SC..Hα-helixtrans-68.3-42177.4-70.9-176.9176.2-166.51.3111.8E106 N141 I142 L146 A147 F148E106-R144 WeakPolarHBondContact O-CD 3.41Å; E106-R144 PolarHBondContact O-NH1 2.98Å; E106-R144 VanDerWaalsContact O-NH1 3.08Å; N141-R144 HydrophobicContact CB-CB 4.3Å; N141-R144 PolarHBondContact O-N 3.3Å; N141-R144 WeakPolarHBondContact OD1-CG 3.33Å; N141-R144 PolarHBondContact OD1-N 3.5Å; N141-R144 VanDerWaalsContact OD1-N 3.08Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 3.11Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L146 PolarHBondContact O-N 3.45Å; R144-A147 WeakPolarHBondContact O-CB 3.5Å; R144-A147 PolarHBondContact O-N 3.01Å; R144-F148 PolarHBondContact O-N 3.04Å
145L98.6Very high97.6Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-58.4-46.4175.8-178.963.4000111.7G108 I110 V124 V128 I140 N141 I142 A147 F148 I149 L182G108-L145 WeakPolarHBondContact O-CD1 3.33Å; I110-L145 HydrophobicContact CD1-CD1 3.9Å; I110-L145 HydrophobicContact CG1-CD1 4.15Å; V124-L145 HydrophobicContact CB-CD1 4.33Å; V124-L145 HydrophobicContact CG1-CD1 3.77Å; V124-L145 HydrophobicContact CG1-CG 4.49Å; V124-L145 HydrophobicContact CG2-CD1 3.77Å; V128-L145 HydrophobicContact CG2-CD2 3.63Å; I140-L145 HydrophobicContact CG2-CB 4.14Å; I140-L145 HydrophobicContact CG2-CD2 3.79Å; N141-L145 PolarHBondContact O-N 3.42Å; I142-L145 PolarHBondContact O-N 3.47Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.26Å; L145-F148 WeakPolarHBondContact O-CB 3.24Å; L145-F148 PolarHBondContact O-N 3.01Å; L145-I149 HydrophobicContact CG-CD1 4.15Å; L145-I149 WeakPolarHBondContact O-CG1 3.27Å; L145-I149 PolarHBondContact O-N 2.98Å; L145-L182 HydrophobicContact CD2-CD1 4.09Å
146L98.6Very high97.7Very high25 Ų2552.6 Ų52.613%0.13126%0.264CS..Hα-helixtrans-63.1-38.5177.8-67176.6000111.6I142 R144 F148 I149 D150 L179 L182 K184 V190I142-L146 HydrophobicContact CG2-CD1 3.77Å; I142-L146 HydrophobicContact CG2-CG 4.02Å; I142-L146 VanDerWaalsContact O-CG 3.31Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.21Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L146 PolarHBondContact O-N 3.45Å; L146-F148 VanDerWaalsContact C-N 3.35Å; L146-I149 PolarHBondContact O-N 2.89Å; L146-D150 WeakPolarHBondContact O-CB 3.38Å; L146-D150 PolarHBondContact O-N 3.29Å; L146-L179 HydrophobicContact CD2-CD2 3.59Å; L146-L182 HydrophobicContact CD2-CD1 4.19Å; L146-K184 HydrophobicContact CD1-CD 4.42Å; L146-K184 HydrophobicContact CD1-CG 4.26Å; L146-K184 HydrophobicContact CD2-CB 4.36Å; L146-K184 HydrophobicContact CD2-CG 4.37Å; L146-V190 HydrophobicContact CD1-CG2 4.19Å; L146-V190 HydrophobicContact CD2-CG1 4.03Å
147A98Very high97.8Very high46 Ų4650.4 Ų50.438%0.3825%0.252SS..Hα-helixtrans-63.8-38.317400000112.4P143 R144 L145 K151P143-A147 PolarHBondContact O-N 3.23Å; R144-A147 WeakPolarHBondContact O-CB 3.5Å; R144-A147 PolarHBondContact O-N 3.01Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.26Å; A147-K151 VanDerWaalsContact O-CG 3.32Å; A147-K151 WeakPolarHBondContact O-CG 3.42Å; A147-K151 PolarHBondContact O-N 3.18Å
148F98.3Very high97.8Very high5 Ų547.5 Ų47.52%0.02224%0.239CC..Hα-helixtrans-64.5-47.7172.5173.5-101000111.9S109 M121 V124 R144 L145 L146 D150 K151 C152S109-F148 VanDerWaalsContact CB-CD2 3.5Å; M121-F148 HydrophobicContact CE-CE1 4.06Å; V124-F148 HydrophobicContact CG2-CD1 3.94Å; V124-F148 HydrophobicContact CG2-CE1 3.76Å; R144-F148 PolarHBondContact O-N 3.04Å; L145-F148 WeakPolarHBondContact O-CB 3.24Å; L145-F148 PolarHBondContact O-N 3.01Å; L146-F148 VanDerWaalsContact C-N 3.35Å; F148-D150 VanDerWaalsContact C-N 3.27Å; F148-D150 PolarHBondContact O-N 2.95Å; F148-K151 WeakPolarHBondContact O-CB 3.26Å; F148-K151 PolarHBondContact O-N 3.42Å; F148-K151 VanDerWaalsContact O-N 3.16Å; F148-C152 PolarHBondContact O-N 2.67Å; F148-C152 VanDerWaalsContact O-N 3.15Å; F148-C152 PolarHBondContact O-SG 3.33Å; F148-C152 VanDerWaalsContact O-SG 3.42Å
149I98.5Very high97.9Very high3 Ų343.3 Ų43.32%0.01521%0.209CC..Hα-helixtrans-57.7-42.9177-67.2170.3000110.7M121 V124 L145 L146 C152 F159 A175 L179M121-I149 HydrophobicContact CE-CG1 4.39Å; M121-I149 HydrophobicContact SD-CG1 4.07Å; V124-I149 HydrophobicContact CG1-CD1 4.05Å; V124-I149 HydrophobicContact CG1-CG1 4.26Å; L145-I149 HydrophobicContact CG-CD1 4.15Å; L145-I149 WeakPolarHBondContact O-CG1 3.27Å; L145-I149 PolarHBondContact O-N 2.98Å; L146-I149 PolarHBondContact O-N 2.89Å; I149-C152 PolarHBondContact O-N 3.21Å; I149-F159 HydrophobicContact CG2-CD1 4.25Å; I149-F159 HydrophobicContact CG2-CE1 3.72Å; I149-F159 HydrophobicContact CG2-CZ 4.41Å; I149-F159 WeakPolarHBondContact O-CD1 3.45Å; I149-F159 WeakPolarHBondContact O-CE1 3.34Å; I149-A175 HydrophobicContact CG2-CB 4.19Å; I149-L179 HydrophobicContact CD1-CD2 4.31Å; I149-L179 HydrophobicContact CG2-CD1 4.25Å; I149-L179 HydrophobicContact CG2-CD2 4.35Å; I149-L179 HydrophobicContact CG2-CG 4.32Å
150D97.9Very high98Very high84 Ų8442.9 Ų42.945%0.44921%0.206SC..Hα-helixtrans-63.3-41.6177.5-168.469.7000112.4L146 F148 C152 W153 K195L146-D150 WeakPolarHBondContact O-CB 3.38Å; L146-D150 PolarHBondContact O-N 3.29Å; F148-D150 VanDerWaalsContact C-N 3.27Å; F148-D150 PolarHBondContact O-N 2.95Å; D150-C152 PolarHBondContact O-N 3.19Å; D150-W153 WeakPolarHBondContact O-CB 3.26Å; D150-W153 PolarHBondContact O-N 3.01Å; D150-W153 VanDerWaalsContact O-N 3.08Å; D150-K195 IonicContact OD1-NZ 3.14Å; D150-K195 PolarHBondContact OD1-NZ 3.16Å
151K97.3Very high98Very high102 Ų10244.7 Ų44.744%0.44322%0.215SC..Hα-helixtrans-61-28.7174.4-77176.1-177.1176.40113.3A147 F148 W153 Y163A147-K151 VanDerWaalsContact O-CG 3.32Å; A147-K151 WeakPolarHBondContact O-CG 3.42Å; A147-K151 PolarHBondContact O-N 3.18Å; F148-K151 WeakPolarHBondContact O-CB 3.26Å; F148-K151 PolarHBondContact O-N 3.42Å; F148-K151 VanDerWaalsContact O-N 3.16Å; K151-W153 VanDerWaalsContact C-N 3.28Å; K151-W153 PolarHBondContact O-N 2.88Å; K151-Y163 HydrophobicContact CB-CD2 4.03Å
152C98.2Very high97.9Very high0 Ų043.7 Ų43.70%021%0.211CC..THydrogen-bonded Turntrans-78.9-8.4177.6-66.90000113.4M121 F148 I149 D150 R154 F159 G160 T162M121-C152 HydrophobicContact CE-CB 3.43Å; M121-C152 VanDerWaalsContact CE-CB 3.43Å; F148-C152 PolarHBondContact O-N 2.67Å; F148-C152 VanDerWaalsContact O-N 3.15Å; F148-C152 PolarHBondContact O-SG 3.33Å; F148-C152 VanDerWaalsContact O-SG 3.42Å; I149-C152 PolarHBondContact O-N 3.21Å; D150-C152 PolarHBondContact O-N 3.19Å; C152-R154 WeakPolarHBondContact O-CD 3.45Å; C152-F159 HydrophobicContact CB-CD1 4.48Å; C152-F159 WeakPolarHBondContact O-CA 3.49Å; C152-G160 PolarHBondContact O-N 3.09Å; C152-T162 VanDerWaalsContact SG-C 3.51Å
153W98.1Very high97.7Very high37 Ų3748.7 Ų48.714%0.1423%0.229CC..BIsolated β-bridgetrans-65134.2175.3-179.5-93.3000112D150 K151 G157 F159 F191 K195 Q198 L199D150-W153 WeakPolarHBondContact O-CB 3.26Å; D150-W153 PolarHBondContact O-N 3.01Å; D150-W153 VanDerWaalsContact O-N 3.08Å; K151-W153 VanDerWaalsContact C-N 3.28Å; K151-W153 PolarHBondContact O-N 2.88Å; W153-G157 WeakPolarHBondContact CH2-O 3.5Å; W153-G157 WeakPolarHBondContact CZ3-O 3.42Å; W153-F159 HydrophobicContact CB-CD1 4.41Å; W153-F159 HydrophobicContact CB-CE1 4.34Å; W153-F159 HydrophobicContact CE3-CD1 4.19Å; W153-F159 HydrophobicContact CE3-CD2 4.18Å; W153-F159 AromaticContact CE3-CE1 3.75Å; W153-F159 HydrophobicContact CE3-CE1 3.75Å; W153-F159 AromaticContact CE3-CE2 3.75Å; W153-F159 HydrophobicContact CE3-CE2 3.75Å; W153-F159 HydrophobicContact CE3-CG 4.4Å; W153-F159 AromaticContact CE3-CZ 3.52Å; W153-F159 HydrophobicContact CE3-CZ 3.52Å; W153-F159 HydrophobicContact CZ3-CD2 4.32Å; W153-F159 AromaticContact CZ3-CE2 3.75Å; W153-F159 HydrophobicContact CZ3-CE2 3.75Å; W153-F159 AromaticContact CZ3-CZ 3.89Å; W153-F159 HydrophobicContact CZ3-CZ 3.89Å; W153-F191 HydrophobicContact CE3-CE2 4.32Å; W153-F191 HydrophobicContact CH2-CE2 4.27Å; W153-F191 AromaticContact CZ3-CE2 3.71Å; W153-F191 HydrophobicContact CZ3-CE2 3.71Å; W153-F191 HydrophobicContact CZ3-CZ 4.28Å; W153-K195 HydrophobicContact CD2-CD 3.76Å; W153-K195 HydrophobicContact CD2-CG 4.15Å; W153-K195 HydrophobicContact CE3-CD 4.07Å; W153-K195 HydrophobicContact CG-CD 4.17Å; W153-K195 HydrophobicContact CH2-CB 3.64Å; W153-K195 HydrophobicContact CH2-CD 4.47Å; W153-K195 HydrophobicContact CH2-CG 4.05Å; W153-K195 VanDerWaalsContact CH2-O 3.27Å; W153-K195 WeakPolarHBondContact CH2-O 3.26Å; W153-K195 HydrophobicContact CZ2-CB 3.69Å; W153-K195 HydrophobicContact CZ2-CD 4.19Å; W153-K195 HydrophobicContact CZ2-CG 3.63Å; W153-K195 HydrophobicContact CZ3-CB 4.12Å; W153-K195 HydrophobicContact CZ3-CD 4.41Å; W153-K195 HydrophobicContact CZ3-CG 4.47Å; W153-Q198 HydrophobicContact CH2-CB 4.46Å; W153-Q198 HydrophobicContact CZ2-CB 4.13Å; W153-L199 HydrophobicContact CH2-CB 4Å; W153-L199 HydrophobicContact CZ3-CB 4.33Å
154R97.4Very high97.4Very high45 Ų4548.3 Ų48.317%0.1722%0.221CC..  trans-116.3158.9-176.7-52.5-51.5-61.5164.1-7.7112.9C152 E156 G157 G158 N164 T165 A167C152-R154 WeakPolarHBondContact O-CD 3.45Å; R154-E156 PolarHBondContact O-N 3.21Å; R154-G157 PolarHBondContact O-N 2.87Å; R154-G157 VanDerWaalsContact O-N 3.09Å; R154-G158 PolarHBondContact N-O 2.91Å; R154-N164 PolarHBondContact NH1-OD1 2.92Å; R154-N164 PolarHBondContact NH2-OD1 2.88Å; R154-T165 WeakPolarHBondContact CD-O 3.4Å; R154-T165 VanDerWaalsContact CG-O 3.25Å; R154-T165 WeakPolarHBondContact CG-O 3.48Å; R154-T165 PolarHBondContact NE-O 3.49Å; R154-A167 HydrophobicContact CB-CB 4.14Å; R154-A167 HydrophobicContact CG-CB 4.23Å
155Y96.3Very high97.3Very high196 Ų19645.3 Ų45.377%0.76922%0.215SC*.THydrogen-bonded Turntrans-61.8-23.8179.368.2-95.9000113G157Y155-G157 PolarHBondContact O-N 3.5Å
156E96.7Very high97.3Very high33 Ų3349.4 Ų49.415%0.15424%0.235CC..THydrogen-bonded Turntrans-64.2-25.9177-58.4170.778.400112.4R154 A167 I215R154-E156 PolarHBondContact O-N 3.21Å; E156-A167 HydrophobicContact CB-CB 4.03Å; E156-A167 HydrophobicContact CG-CB 4.49Å; E156-A167 WeakPolarHBondContact OE2-CB 3.25Å; E156-A167 PolarHBondContact OE2-N 3.46Å; E156-I215 HydrophobicContact CB-CD1 4.49Å; E156-I215 HydrophobicContact CG-CD1 4.35Å; E156-I215 WeakPolarHBondContact OE1-CD1 3.41Å
157G97.7Very high97.3Very high1 Ų148.2 Ų48.21%0.0123%0.228CC..SBendtrans107.30.6-177.600000114.9W153 R154 Y155 L199W153-G157 WeakPolarHBondContact CH2-O 3.5Å; W153-G157 WeakPolarHBondContact CZ3-O 3.42Å; R154-G157 PolarHBondContact O-N 2.87Å; R154-G157 VanDerWaalsContact O-N 3.09Å; Y155-G157 PolarHBondContact O-N 3.5Å; G157-L199 WeakPolarHBondContact O-CA 3.45Å; G157-L199 WeakPolarHBondContact O-CB 3.35Å; G157-L199 WeakPolarHBondContact O-CD1 3.38Å
158G98.1Very high97.3Very high0 Ų047.9 Ų47.90%022%0.219CC..SBendtrans-115.5-171.917400000113.3R154R154-G158 PolarHBondContact N-O 2.91Å
159F98.6Very high97.3Very high3 Ų347.6 Ų47.61%0.01322%0.218CC..BIsolated β-bridgetrans-108.7138.1176.4-61.7-96.1000111.2I149 C152 W153 H168 S171 T172 A175 V176 L179 F191I149-F159 HydrophobicContact CG2-CD1 4.25Å; I149-F159 HydrophobicContact CG2-CE1 3.72Å; I149-F159 HydrophobicContact CG2-CZ 4.41Å; I149-F159 WeakPolarHBondContact O-CD1 3.45Å; I149-F159 WeakPolarHBondContact O-CE1 3.34Å; C152-F159 HydrophobicContact CB-CD1 4.48Å; C152-F159 WeakPolarHBondContact O-CA 3.49Å; W153-F159 HydrophobicContact CB-CD1 4.41Å; W153-F159 HydrophobicContact CB-CE1 4.34Å; W153-F159 HydrophobicContact CE3-CD1 4.19Å; W153-F159 HydrophobicContact CE3-CD2 4.18Å; W153-F159 AromaticContact CE3-CE1 3.75Å; W153-F159 HydrophobicContact CE3-CE1 3.75Å; W153-F159 AromaticContact CE3-CE2 3.75Å; W153-F159 HydrophobicContact CE3-CE2 3.75Å; W153-F159 HydrophobicContact CE3-CG 4.4Å; W153-F159 AromaticContact CE3-CZ 3.52Å; W153-F159 HydrophobicContact CE3-CZ 3.52Å; W153-F159 HydrophobicContact CZ3-CD2 4.32Å; W153-F159 AromaticContact CZ3-CE2 3.75Å; W153-F159 HydrophobicContact CZ3-CE2 3.75Å; W153-F159 AromaticContact CZ3-CZ 3.89Å; W153-F159 HydrophobicContact CZ3-CZ 3.89Å; F159-H168 PolarHBondContact O-N 3.08Å; F159-S171 PolarHBondContact O-OG 3.37Å; F159-T172 HydrophobicContact CD2-CG2 4.25Å; F159-T172 PolarHBondContact N-OG1 3.06Å; F159-T172 PolarHBondContact O-OG1 3.41Å; F159-A175 HydrophobicContact CB-CB 3.97Å; F159-A175 HydrophobicContact CD1-CB 3.77Å; F159-A175 HydrophobicContact CD2-CB 3.64Å; F159-A175 HydrophobicContact CE1-CB 4.09Å; F159-A175 HydrophobicContact CE2-CB 3.97Å; F159-A175 HydrophobicContact CG-CB 3.52Å; F159-A175 HydrophobicContact CZ-CB 4.18Å; F159-V176 HydrophobicContact CE2-CG2 4.09Å; F159-L179 HydrophobicContact CZ-CD1 4.34Å; F159-F191 HydrophobicContact CE2-CE2 4.32Å; F159-F191 HydrophobicContact CZ-CD2 4.42Å; F159-F191 HydrophobicContact CZ-CE2 4.03Å
160G98.4Very high97.3Very high0 Ų047.9 Ų47.90%022%0.221CC..  trans-82.5173.5167.500000112.8C152 T165 E166 S171C152-G160 PolarHBondContact O-N 3.09Å; G160-T165 WeakPolarHBondContact CA-OG1 3.14Å; G160-E166 VanDerWaalsContact CA-O 3.29Å; G160-E166 WeakPolarHBondContact CA-O 3.39Å; G160-S171 WeakPolarHBondContact O-CB 3.28Å
161Q97.6Very high97.4Very high48 Ų4843.9 Ų43.922%0.22420%0.2CC..SBendtrans-68.7-41.8176.5-70.4-67.82.200111.8D120 M121 T165D120-Q161 WeakPolarHBondContact CA-O 3.41Å; D120-Q161 HydrophobicContact CB-CB 4.2Å; D120-Q161 WeakPolarHBondContact CB-O 3.33Å; M121-Q161 PolarHBondContact N-O 3.27Å; Q161-T165 PolarHBondContact N-OG1 3Å
162T96.9Very high97.4Very high45 Ų4539 Ų3928%0.27618%0.179SC..SBendtrans-140.4177.517867.50000110.6S119 D120 C152 N164 T165S119-T162 WeakPolarHBondContact O-CG2 3.25Å; D120-T162 HydrophobicContact CB-CG2 3.83Å; C152-T162 VanDerWaalsContact SG-C 3.51Å; T162-N164 PolarHBondContact O-N 3.17Å; T162-T165 PolarHBondContact N-OG1 3.33Å; T162-T165 PolarHBondContact O-N 3Å; T162-T165 PolarHBondContact O-OG1 3.06Å; T162-T165 WeakPolarHBondContact OG1-CG2 3.37Å
163Y93.7Very high97.5Very high142 Ų14239 Ų3956%0.55718%0.179SC*.THydrogen-bonded Turntrans-52.8132.6175.7178.7-120.2000111.3K151 T165K151-Y163 HydrophobicContact CB-CD2 4.03Å; Y163-T165 VanDerWaalsContact C-N 3.29Å; Y163-T165 PolarHBondContact O-N 2.67Å
164N92.3Very high97.5Very high90 Ų9037.6 Ų37.648%0.48117%0.174SC..THydrogen-bonded Turntrans64.118.4179.7-74.3-20.5000117.9R154 T162R154-N164 PolarHBondContact NH1-OD1 2.92Å; R154-N164 PolarHBondContact NH2-OD1 2.88Å; T162-N164 PolarHBondContact O-N 3.17Å
165T96.8Very high97.6Very high46 Ų4635.5 Ų35.528%0.28217%0.166SC..PPolyproline II helixtrans-92.2158.9170.459.40000112.8R154 G160 Q161 T162 Y163R154-T165 WeakPolarHBondContact CD-O 3.4Å; R154-T165 VanDerWaalsContact CG-O 3.25Å; R154-T165 WeakPolarHBondContact CG-O 3.48Å; R154-T165 PolarHBondContact NE-O 3.49Å; G160-T165 WeakPolarHBondContact CA-OG1 3.14Å; Q161-T165 PolarHBondContact N-OG1 3Å; T162-T165 PolarHBondContact N-OG1 3.33Å; T162-T165 PolarHBondContact O-N 3Å; T162-T165 PolarHBondContact O-OG1 3.06Å; T162-T165 WeakPolarHBondContact OG1-CG2 3.37Å; Y163-T165 VanDerWaalsContact C-N 3.29Å; Y163-T165 PolarHBondContact O-N 2.67Å
166E97.9Very high97.7Very high87 Ų8726.1 Ų26.141%0.40713%0.13SC..PPolyproline II helixtrans-59.9142.9176.7-174.5-172.7-17100111.6G160 H168 R214G160-E166 VanDerWaalsContact CA-O 3.29Å; G160-E166 WeakPolarHBondContact CA-O 3.39Å; E166-H168 PolarHBondContact O-N 3.16Å; E166-R214 VanDerWaalsContact CD-CD 3.41Å; E166-R214 WeakPolarHBondContact OE2-CD 3.32Å; E166-R214 IonicContact OE2-NH1 3.04Å; E166-R214 PolarHBondContact OE2-NH1 2.83Å
167A98.4Very high97.8Very high0 Ų024.6 Ų24.60%012%0.122CC..PPolyproline II helixtrans-63130.2173.600000110.8R154 E156 W202R154-A167 HydrophobicContact CB-CB 4.14Å; R154-A167 HydrophobicContact CG-CB 4.23Å; E156-A167 HydrophobicContact CB-CB 4.03Å; E156-A167 HydrophobicContact CG-CB 4.49Å; E156-A167 WeakPolarHBondContact OE2-CB 3.25Å; E156-A167 PolarHBondContact OE2-N 3.46Å; A167-W202 HydrophobicContact CB-CZ2 3.87Å
168H98.7Very high97.9Very high38 Ų3824.5 Ų24.518%0.17612%0.122CC..  trans-135.3142.8-174.9-178.2-80.9000111.2F159 E166 G170 S171 T172 G213 R214 Y223F159-H168 PolarHBondContact O-N 3.08Å; E166-H168 PolarHBondContact O-N 3.16Å; H168-G170 VanDerWaalsContact C-N 3.34Å; H168-G170 PolarHBondContact ND1-N 3.39Å; H168-G170 PolarHBondContact O-N 3.28Å; H168-S171 WeakPolarHBondContact CB-OG 3Å; H168-S171 PolarHBondContact O-N 2.88Å; H168-S171 PolarHBondContact O-OG 3.44Å; H168-T172 VanDerWaalsContact O-CB 3.24Å; H168-T172 WeakPolarHBondContact O-CB 3.29Å; H168-T172 PolarHBondContact O-N 2.83Å; H168-T172 PolarHBondContact O-OG1 3Å; H168-G213 CarbonylContact C-O 3.59Å; H168-R214 HydrophobicContact CB-CG 4.27Å; H168-Y223 AromaticContact CE1-CE1 3.97Å; H168-Y223 AromaticContact CE1-CZ 3.95Å; H168-Y223 PolarHBondContact CE1-OH 2.93Å; H168-Y223 PolarHBondContact NE2-OH 2.88Å
169G98.6Very high97.9Very high0 Ų024.7 Ų24.70%012%0.123CC..Hα-helixtrans-57.5-44.9-174.600000112.8T172 Y173 G213G169-T172 PolarHBondContact O-N 3.34Å; G169-Y173 PolarHBondContact O-N 3.46Å; G169-G213 PolarHBondContact N-O 3.02Å
170G98.6Very high97.9Very high9 Ų928.5 Ų28.59%0.09314%0.14CC..Hα-helixtrans-63.5-45.9177.700000114.5H168 T172 Y173 C174H168-G170 VanDerWaalsContact C-N 3.34Å; H168-G170 PolarHBondContact ND1-N 3.39Å; H168-G170 PolarHBondContact O-N 3.28Å; G170-T172 VanDerWaalsContact C-N 3.33Å; G170-Y173 PolarHBondContact O-N 3.26Å; G170-C174 PolarHBondContact O-N 2.89Å; G170-C174 PolarHBondContact O-SG 3.45Å
171S98.6Very high97.9Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-69.8-33.8176.844.80000111.8M121 F159 G160 H168 C174 A175M121-S171 WeakPolarHBondContact CG-O 3.42Å; F159-S171 PolarHBondContact O-OG 3.37Å; G160-S171 WeakPolarHBondContact O-CB 3.28Å; H168-S171 WeakPolarHBondContact CB-OG 3Å; H168-S171 PolarHBondContact O-N 2.88Å; H168-S171 PolarHBondContact O-OG 3.44Å; S171-C174 PolarHBondContact O-N 3.47Å; S171-A175 WeakPolarHBondContact O-CB 3.38Å; S171-A175 PolarHBondContact O-N 2.96Å
172T98.9Very high97.9Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-62.1-46.1173.7-62.60000111.4F159 H168 G169 G170 A175 V176 L199 W202 L203 T230F159-T172 HydrophobicContact CD2-CG2 4.25Å; F159-T172 PolarHBondContact N-OG1 3.06Å; F159-T172 PolarHBondContact O-OG1 3.41Å; H168-T172 VanDerWaalsContact O-CB 3.24Å; H168-T172 WeakPolarHBondContact O-CB 3.29Å; H168-T172 PolarHBondContact O-N 2.83Å; H168-T172 PolarHBondContact O-OG1 3Å; G169-T172 PolarHBondContact O-N 3.34Å; G170-T172 VanDerWaalsContact C-N 3.33Å; T172-A175 PolarHBondContact O-N 3.14Å; T172-V176 HydrophobicContact CG2-CG2 4.47Å; T172-V176 WeakPolarHBondContact O-CB 3.47Å; T172-V176 VanDerWaalsContact O-CG2 3.26Å; T172-V176 WeakPolarHBondContact O-CG2 3.27Å; T172-V176 PolarHBondContact O-N 3.29Å; T172-L199 HydrophobicContact CG2-CD1 3.45Å; T172-L199 VanDerWaalsContact CG2-CD1 3.45Å; T172-W202 HydrophobicContact CG2-CZ3 4.08Å; T172-L203 HydrophobicContact CG2-CD2 4.2Å; T172-T230 HydrophobicContact CG2-CG2 4.22Å
173Y98.9Very high98Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-55.7-52.3170.1167.6-93.9000111.4Y125 G169 G170 A175 V176 A177 F225 W226 A229 T230 I233 A293Y125-Y173 HydrophobicContact CD2-CE1 4.28Å; Y125-Y173 HydrophobicContact CE1-CE1 4.27Å; Y125-Y173 AromaticContact CE2-CE1 3.98Å; Y125-Y173 HydrophobicContact CE2-CE1 3.98Å; Y125-Y173 AromaticContact CZ-CE1 3.98Å; Y125-Y173 PolarHBondContact OH-OH 3.23Å; G169-Y173 PolarHBondContact O-N 3.46Å; G170-Y173 PolarHBondContact O-N 3.26Å; Y173-A175 VanDerWaalsContact C-N 3.3Å; Y173-A175 PolarHBondContact O-N 3.34Å; Y173-V176 PolarHBondContact O-N 3.08Å; Y173-A177 HydrophobicContact CE1-CB 4.27Å; Y173-A177 HydrophobicContact CE2-CB 4.16Å; Y173-A177 VanDerWaalsContact O-CB 3.24Å; Y173-A177 WeakPolarHBondContact O-CB 3.39Å; Y173-A177 PolarHBondContact O-N 3.49Å; Y173-F225 HydrophobicContact CD2-CE1 4.3Å; Y173-F225 HydrophobicContact CE1-CE1 4.12Å; Y173-F225 AromaticContact CE2-CE1 3.78Å; Y173-F225 HydrophobicContact CE2-CE1 3.78Å; Y173-F225 AromaticContact CE2-CZ 3.71Å; Y173-F225 HydrophobicContact CE2-CZ 3.71Å; Y173-F225 AromaticContact CZ-CE1 3.69Å; Y173-F225 AromaticContact CZ-CZ 3.71Å; Y173-W226 AromaticContact CD1-CE3 3.42Å; Y173-W226 HydrophobicContact CD1-CE3 3.42Å; Y173-W226 VanDerWaalsContact CD1-CE3 3.42Å; Y173-W226 AromaticContact CD1-CZ3 3.39Å; Y173-W226 HydrophobicContact CD1-CZ3 3.39Å; Y173-W226 HydrophobicContact CD2-CE3 4.41Å; Y173-W226 HydrophobicContact CE1-CE3 4.04Å; Y173-W226 AromaticContact CE1-CZ3 3.62Å; Y173-W226 HydrophobicContact CE1-CZ3 3.62Å; Y173-W226 AromaticContact CG-CE3 3.65Å; Y173-W226 HydrophobicContact CG-CE3 3.65Å; Y173-W226 HydrophobicContact CG-CZ3 4.1Å; Y173-A229 HydrophobicContact CD2-CB 3.91Å; Y173-A229 HydrophobicContact CE2-CB 3.71Å; Y173-T230 VanDerWaalsContact CA-OG1 3.22Å; Y173-T230 WeakPolarHBondContact CA-OG1 3.44Å; Y173-T230 WeakPolarHBondContact CB-OG1 3.32Å; Y173-I233 HydrophobicContact CE2-CD1 4.22Å; Y173-A293 WeakPolarHBondContact CE2-O 3.41Å; Y173-A293 PolarHBondContact OH-O 3.4Å; Y173-A293 VanDerWaalsContact OH-O 3.06Å
174C98.8Very high98.2Very high7 Ų725.2 Ų25.25%0.04714%0.144CC..Hα-helixtrans-58.1-43-176.2-69.20000111.8M121 Y125 G170 S171 S178M121-C174 HydrophobicContact CB-CB 4.25Å; M121-C174 HydrophobicContact CG-CB 3.61Å; M121-C174 VanDerWaalsContact O-CB 3.3Å; M121-C174 WeakPolarHBondContact O-CB 3.35Å; Y125-C174 HydrophobicContact CG-CB 4.48Å; G170-C174 PolarHBondContact O-N 2.89Å; G170-C174 PolarHBondContact O-SG 3.45Å; S171-C174 PolarHBondContact O-N 3.47Å; C174-S178 VanDerWaalsContact O-CB 3.24Å; C174-S178 WeakPolarHBondContact O-CB 3.43Å; C174-S178 PolarHBondContact O-N 2.97Å; C174-S178 PolarHBondContact O-OG 3.04Å
175A98.8Very high98.4Very high0 Ų021.2 Ų21.20%012%0.122CC..Hα-helixtrans-65-49.9176.300000112.1M121 I149 F159 S171 T172 Y173 S178 L179M121-A175 HydrophobicContact CE-CB 4.22Å; M121-A175 HydrophobicContact CG-CB 4.09Å; M121-A175 HydrophobicContact SD-CB 3.81Å; I149-A175 HydrophobicContact CG2-CB 4.19Å; F159-A175 HydrophobicContact CB-CB 3.97Å; F159-A175 HydrophobicContact CD1-CB 3.77Å; F159-A175 HydrophobicContact CD2-CB 3.64Å; F159-A175 HydrophobicContact CE1-CB 4.09Å; F159-A175 HydrophobicContact CE2-CB 3.97Å; F159-A175 HydrophobicContact CG-CB 3.52Å; F159-A175 HydrophobicContact CZ-CB 4.18Å; S171-A175 WeakPolarHBondContact O-CB 3.38Å; S171-A175 PolarHBondContact O-N 2.96Å; T172-A175 PolarHBondContact O-N 3.14Å; Y173-A175 VanDerWaalsContact C-N 3.3Å; Y173-A175 PolarHBondContact O-N 3.34Å; A175-S178 PolarHBondContact O-N 3.17Å; A175-L179 WeakPolarHBondContact O-CG 3.25Å; A175-L179 PolarHBondContact O-N 3.12Å
176V98.8Very high98.4Very high0 Ų024.8 Ų24.80%014%0.14CC..Hα-helixtrans-66.7-43.8-1771720000111.7F159 T172 Y173 S178 L179 H180 L185 L199 T230 I233 L234F159-V176 HydrophobicContact CE2-CG2 4.09Å; T172-V176 HydrophobicContact CG2-CG2 4.47Å; T172-V176 WeakPolarHBondContact O-CB 3.47Å; T172-V176 VanDerWaalsContact O-CG2 3.26Å; T172-V176 WeakPolarHBondContact O-CG2 3.27Å; T172-V176 PolarHBondContact O-N 3.29Å; Y173-V176 PolarHBondContact O-N 3.08Å; V176-S178 VanDerWaalsContact C-N 3.33Å; V176-S178 PolarHBondContact O-N 2.86Å; V176-L179 PolarHBondContact O-N 3Å; V176-H180 WeakPolarHBondContact O-CB 3.29Å; V176-H180 PolarHBondContact O-N 3.22Å; V176-L185 HydrophobicContact CG1-CD1 4.16Å; V176-L185 HydrophobicContact CG1-CD2 4.34Å; V176-L199 HydrophobicContact CG2-CD2 3.67Å; V176-T230 HydrophobicContact CB-CG2 4.01Å; V176-T230 HydrophobicContact CG1-CG2 4.01Å; V176-T230 HydrophobicContact CG2-CG2 3.89Å; V176-I233 HydrophobicContact CG1-CB 4.24Å; V176-I233 HydrophobicContact CG1-CG2 3.74Å; V176-L234 HydrophobicContact CG1-CD2 4.29Å; V176-L234 HydrophobicContact CG1-CG 4.18Å
177A98.8Very high98.4Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-61.8-42174.500000111Y125 Y173 H180 L181 I233Y125-A177 HydrophobicContact CD2-CB 3.84Å; Y125-A177 HydrophobicContact CE2-CB 3.78Å; Y173-A177 HydrophobicContact CE1-CB 4.27Å; Y173-A177 HydrophobicContact CE2-CB 4.16Å; Y173-A177 VanDerWaalsContact O-CB 3.24Å; Y173-A177 WeakPolarHBondContact O-CB 3.39Å; Y173-A177 PolarHBondContact O-N 3.49Å; A177-H180 WeakPolarHBondContact O-CB 3.39Å; A177-H180 PolarHBondContact O-N 3.13Å; A177-L181 VanDerWaalsContact O-CG 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.4Å; A177-L181 PolarHBondContact O-N 3.2Å; A177-I233 HydrophobicContact CB-CD1 3.96Å
178S98.8Very high98.3Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-61.9-47.1175.5-610000112.3Y125 C174 A175 V176 H180 L181 L182Y125-S178 WeakPolarHBondContact CA-OG 3.5Å; C174-S178 VanDerWaalsContact O-CB 3.24Å; C174-S178 WeakPolarHBondContact O-CB 3.43Å; C174-S178 PolarHBondContact O-N 2.97Å; C174-S178 PolarHBondContact O-OG 3.04Å; A175-S178 PolarHBondContact O-N 3.17Å; V176-S178 VanDerWaalsContact C-N 3.33Å; V176-S178 PolarHBondContact O-N 2.86Å; S178-H180 VanDerWaalsContact C-N 3.28Å; S178-H180 PolarHBondContact O-N 3.03Å; S178-L181 PolarHBondContact O-N 3.17Å; S178-L182 WeakPolarHBondContact O-CB 3.11Å; S178-L182 VanDerWaalsContact O-CG 3.22Å; S178-L182 WeakPolarHBondContact O-CG 3.34Å; S178-L182 PolarHBondContact O-N 3.06Å
179L98.7Very high98.2Very high4 Ų431.1 Ų31.12%0.02119%0.189CC..Hα-helixtrans-61.2-37.4176.2-69.9174.9000111.9L146 I149 F159 A175 V176 G183 K184 L185 V190 F191L146-L179 HydrophobicContact CD2-CD2 3.59Å; I149-L179 HydrophobicContact CD1-CD2 4.31Å; I149-L179 HydrophobicContact CG2-CD1 4.25Å; I149-L179 HydrophobicContact CG2-CD2 4.35Å; I149-L179 HydrophobicContact CG2-CG 4.32Å; F159-L179 HydrophobicContact CZ-CD1 4.34Å; A175-L179 WeakPolarHBondContact O-CG 3.25Å; A175-L179 PolarHBondContact O-N 3.12Å; V176-L179 PolarHBondContact O-N 3Å; L179-G183 PolarHBondContact O-N 3.38Å; L179-K184 HydrophobicContact CD2-CB 4.2Å; L179-K184 CarbonylContact O-C 3.6Å; L179-K184 WeakPolarHBondContact O-CA 3.41Å; L179-K184 PolarHBondContact O-N 3.25Å; L179-L185 HydrophobicContact CB-CB 4.22Å; L179-L185 HydrophobicContact CB-CD1 4.17Å; L179-L185 PolarHBondContact O-N 3.21Å; L179-L185 VanDerWaalsContact O-N 3.07Å; L179-V190 HydrophobicContact CD2-CG1 3.8Å; L179-F191 HydrophobicContact CD1-CD2 4.38Å
180H98.7Very high98.1Very high83 Ų8332.7 Ų32.738%0.38420%0.199SC..Hα-helixtrans-64.7-50.7175.7-178.574.6000111.8V176 A177 S178 L182 G183 L185 I233V176-H180 WeakPolarHBondContact O-CB 3.29Å; V176-H180 PolarHBondContact O-N 3.22Å; A177-H180 WeakPolarHBondContact O-CB 3.39Å; A177-H180 PolarHBondContact O-N 3.13Å; S178-H180 VanDerWaalsContact C-N 3.28Å; S178-H180 PolarHBondContact O-N 3.03Å; H180-L182 VanDerWaalsContact C-N 3.26Å; H180-L182 PolarHBondContact O-N 2.93Å; H180-G183 PolarHBondContact O-N 3.07Å; H180-L185 HydrophobicContact CB-CB 4.46Å; H180-L185 HydrophobicContact CB-CD2 4.08Å; H180-I233 HydrophobicContact CB-CG2 3.68Å
181L98.5Very high98.1Very high9 Ų932.7 Ų32.75%0.04720%0.196CC..Hα-helixtrans-64.6-30-179.9-66.2175.3000112.6Y125 V128 A129 Y132 A177 S178 G183 A294 L295Y125-L181 HydrophobicContact CE2-CD1 4.46Å; V128-L181 HydrophobicContact CG1-CB 3.8Å; V128-L181 HydrophobicContact CG1-CD1 4.29Å; A129-L181 HydrophobicContact CB-CD1 4.18Å; Y132-L181 HydrophobicContact CD1-CD2 3.75Å; Y132-L181 HydrophobicContact CD2-CB 3.95Å; Y132-L181 HydrophobicContact CD2-CD2 3.95Å; Y132-L181 VanDerWaalsContact CD2-O 3.26Å; Y132-L181 WeakPolarHBondContact CD2-O 3.48Å; Y132-L181 HydrophobicContact CE1-CD2 3.81Å; Y132-L181 HydrophobicContact CE2-CD2 4.02Å; Y132-L181 HydrophobicContact CG-CB 4.18Å; Y132-L181 HydrophobicContact CG-CD2 3.81Å; Y132-L181 HydrophobicContact CG-CG 4.42Å; A177-L181 VanDerWaalsContact O-CG 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.4Å; A177-L181 PolarHBondContact O-N 3.2Å; S178-L181 PolarHBondContact O-N 3.17Å; L181-G183 VanDerWaalsContact C-N 3.26Å; L181-G183 PolarHBondContact O-N 3.02Å; L181-A294 HydrophobicContact CD2-CB 3.93Å; L181-A294 HydrophobicContact CG-CB 4.22Å; L181-L295 HydrophobicContact CD1-CD2 4.08Å; L181-L295 HydrophobicContact CD2-CD2 3.92Å; L181-L295 HydrophobicContact CD2-CG 4.27Å
182L98.2Very high98Very high27 Ų2734.8 Ų34.814%0.14121%0.211CC..THydrogen-bonded Turntrans-76.8-7.5172.7-70.3170.5000113.8V128 F137 I142 L145 L146 S178 H180 K184V128-L182 HydrophobicContact CG1-CD1 4.46Å; V128-L182 HydrophobicContact CG1-CD2 4.24Å; V128-L182 HydrophobicContact CG1-CG 3.89Å; V128-L182 HydrophobicContact CG2-CD1 4.25Å; V128-L182 HydrophobicContact CG2-CG 4.42Å; F137-L182 HydrophobicContact CD1-CD2 3.74Å; F137-L182 HydrophobicContact CE1-CD2 3.5Å; F137-L182 VanDerWaalsContact CE1-CD2 3.5Å; F137-L182 HydrophobicContact CG-CD2 4.44Å; F137-L182 HydrophobicContact CZ-CD2 3.97Å; I142-L182 HydrophobicContact CD1-CD2 3.57Å; L145-L182 HydrophobicContact CD2-CD1 4.09Å; L146-L182 HydrophobicContact CD2-CD1 4.19Å; S178-L182 WeakPolarHBondContact O-CB 3.11Å; S178-L182 VanDerWaalsContact O-CG 3.22Å; S178-L182 WeakPolarHBondContact O-CG 3.34Å; S178-L182 PolarHBondContact O-N 3.06Å; H180-L182 VanDerWaalsContact C-N 3.26Å; H180-L182 PolarHBondContact O-N 2.93Å; L182-K184 VanDerWaalsContact C-N 3.28Å; L182-K184 HydrophobicContact CB-CB 4.3Å; L182-K184 HydrophobicContact CB-CG 3.97Å; L182-K184 PolarHBondContact O-N 3.31Å
183G98Very high97.9Very high63 Ų6337.4 Ų37.465%0.64923%0.233SC*.THydrogen-bonded Turntrans67.726.5-172.600000113.5L179 H180 L181L179-G183 PolarHBondContact O-N 3.38Å; H180-G183 PolarHBondContact O-N 3.07Å; L181-G183 VanDerWaalsContact C-N 3.26Å; L181-G183 PolarHBondContact O-N 3.02Å
184K98.2Very high97.9Very high67 Ų6743.8 Ų43.829%0.29126%0.261SS..  trans-112.4-2.3-174.8-65-65.2176.7-176.60114.5L146 L179 L182 D186 D187 V190L146-K184 HydrophobicContact CD1-CD 4.42Å; L146-K184 HydrophobicContact CD1-CG 4.26Å; L146-K184 HydrophobicContact CD2-CB 4.36Å; L146-K184 HydrophobicContact CD2-CG 4.37Å; L179-K184 HydrophobicContact CD2-CB 4.2Å; L179-K184 CarbonylContact O-C 3.6Å; L179-K184 WeakPolarHBondContact O-CA 3.41Å; L179-K184 PolarHBondContact O-N 3.25Å; L182-K184 VanDerWaalsContact C-N 3.28Å; L182-K184 HydrophobicContact CB-CB 4.3Å; L182-K184 HydrophobicContact CB-CG 3.97Å; L182-K184 PolarHBondContact O-N 3.31Å; K184-D186 PolarHBondContact O-N 3.34Å; K184-D187 HydrophobicContact CD-CB 4.21Å; K184-D187 IonicContact NZ-OD2 3.91Å; K184-D187 PolarHBondContact NZ-OD2 3.01Å; K184-D187 VanDerWaalsContact NZ-OD2 3.14Å; K184-D187 PolarHBondContact O-N 3.17Å; K184-V190 HydrophobicContact CB-CG1 4.25Å; K184-V190 HydrophobicContact CD-CG2 4.26Å
185L97.6Very high97.8Very high5 Ų545.1 Ų45.13%0.02627%0.265CS..SBendtrans-66.8-34.2179.6-173.463.8000113.4V176 L179 H180 F191 I233 L234V176-L185 HydrophobicContact CG1-CD1 4.16Å; V176-L185 HydrophobicContact CG1-CD2 4.34Å; L179-L185 HydrophobicContact CB-CB 4.22Å; L179-L185 HydrophobicContact CB-CD1 4.17Å; L179-L185 PolarHBondContact O-N 3.21Å; L179-L185 VanDerWaalsContact O-N 3.07Å; H180-L185 HydrophobicContact CB-CB 4.46Å; H180-L185 HydrophobicContact CB-CD2 4.08Å; L185-F191 HydrophobicContact CD1-CD1 3.92Å; L185-F191 HydrophobicContact CD1-CE1 4.18Å; L185-I233 HydrophobicContact CD2-CG2 3.61Å; L185-L234 HydrophobicContact CD1-CD2 4.13Å; L185-L234 HydrophobicContact CD2-CD2 4.21Å
186D96Very high97.8Very high121 Ų12148.3 Ų48.365%0.64728%0.277SS*.SBendtrans-97.91.6178.5-60.7-50.1000113K184 V188 R196K184-D186 PolarHBondContact O-N 3.34Å; D186-V188 PolarHBondContact O-N 2.65Å; D186-R196 IonicContact OD1-CZ 2.94Å; D186-R196 IonicContact OD1-NH1 3.92Å; D186-R196 PolarHBondContact OD1-NH1 2.81Å
187D97.5Very high97.8Very high48 Ų4856 Ų5626%0.25731%0.307SS..  trans-77.5102.8172.6-174.8-20.2000109.2K184 S189 V190 F191K184-D187 HydrophobicContact CD-CB 4.21Å; K184-D187 IonicContact NZ-OD2 3.91Å; K184-D187 PolarHBondContact NZ-OD2 3.01Å; K184-D187 VanDerWaalsContact NZ-OD2 3.14Å; K184-D187 PolarHBondContact O-N 3.17Å; D187-S189 PolarHBondContact O-N 2.89Å; D187-S189 VanDerWaalsContact O-N 3.09Å; D187-S189 WeakPolarHBondContact OD1-CB 3.12Å; D187-S189 PolarHBondContact OD1-N 3.33Å; D187-S189 VanDerWaalsContact OD1-N 3.09Å; D187-S189 PolarHBondContact OD1-OG 2.62Å; D187-V190 HydrophobicContact CB-CB 4.29Å; D187-V190 HydrophobicContact CB-CG2 4.22Å; D187-V190 PolarHBondContact O-N 3.09Å; D187-F191 PolarHBondContact O-N 3.18Å
188V96.8Very high97.7Very high110 Ų11059.5 Ų59.567%0.66732%0.323SS*.THydrogen-bonded Turntrans-62.5-18.7-175.5-63.40000114.1D186 V190D186-V188 PolarHBondContact O-N 2.65Å; V188-V190 VanDerWaalsContact C-N 3.3Å
189S96.3Very high97.7Very high101 Ų10159.5 Ų59.571%0.70632%0.323SS*.THydrogen-bonded Turntrans-74.6-23.5173.975.20000112.5D187D187-S189 PolarHBondContact O-N 2.89Å; D187-S189 VanDerWaalsContact O-N 3.09Å; D187-S189 WeakPolarHBondContact OD1-CB 3.12Å; D187-S189 PolarHBondContact OD1-N 3.33Å; D187-S189 VanDerWaalsContact OD1-N 3.09Å; D187-S189 PolarHBondContact OD1-OG 2.62Å
190V97.1Very high97.7Very high33 Ų3361.1 Ų61.120%0.233%0.331CS..THydrogen-bonded Turntrans-100-46.6179.3175.90000110.5L146 L179 K184 D187 V188L146-V190 HydrophobicContact CD1-CG2 4.19Å; L146-V190 HydrophobicContact CD2-CG1 4.03Å; L179-V190 HydrophobicContact CD2-CG1 3.8Å; K184-V190 HydrophobicContact CB-CG1 4.25Å; K184-V190 HydrophobicContact CD-CG2 4.26Å; D187-V190 HydrophobicContact CB-CB 4.29Å; D187-V190 HydrophobicContact CB-CG2 4.22Å; D187-V190 PolarHBondContact O-N 3.09Å; V188-V190 VanDerWaalsContact C-N 3.3Å
191F97.3Very high97.7Very high8 Ų865.7 Ų65.74%0.03535%0.345CS..SBendtrans-130.586.9-177.5-165.7-115.7000111.3W153 F159 L179 L185 D187 K195 R196 L199 L234W153-F191 HydrophobicContact CE3-CE2 4.32Å; W153-F191 HydrophobicContact CH2-CE2 4.27Å; W153-F191 AromaticContact CZ3-CE2 3.71Å; W153-F191 HydrophobicContact CZ3-CE2 3.71Å; W153-F191 HydrophobicContact CZ3-CZ 4.28Å; F159-F191 HydrophobicContact CE2-CE2 4.32Å; F159-F191 HydrophobicContact CZ-CD2 4.42Å; F159-F191 HydrophobicContact CZ-CE2 4.03Å; L179-F191 HydrophobicContact CD1-CD2 4.38Å; L185-F191 HydrophobicContact CD1-CD1 3.92Å; L185-F191 HydrophobicContact CD1-CE1 4.18Å; D187-F191 PolarHBondContact O-N 3.18Å; F191-K195 HydrophobicContact CD2-CB 3.97Å; F191-K195 HydrophobicContact CD2-CD 4.25Å; F191-K195 HydrophobicContact CE2-CB 3.62Å; F191-K195 HydrophobicContact CE2-CD 4.37Å; F191-K195 HydrophobicContact CZ-CB 4.1Å; F191-R196 HydrophobicContact CD1-CB 4.24Å; F191-R196 HydrophobicContact CE1-CB 3.62Å; F191-R196 HydrophobicContact CE1-CG 4.02Å; F191-R196 HydrophobicContact CZ-CB 4.29Å; F191-L199 HydrophobicContact CE1-CD2 4.42Å; F191-L199 HydrophobicContact CE2-CD2 4.48Å; F191-L199 HydrophobicContact CZ-CB 4.31Å; F191-L199 HydrophobicContact CZ-CD2 3.67Å; F191-L234 HydrophobicContact CE1-CD2 4.42Å
192S97.4Very high97.7Very high44 Ų4465.6 Ų65.631%0.30834%0.344SS..  trans-59.3153.5-176.173.50000113.6K194 K195 R196S192-K194 PolarHBondContact O-N 3.49Å; S192-K194 VanDerWaalsContact O-N 3.12Å; S192-K195 PolarHBondContact O-N 2.86Å; S192-K195 PolarHBondContact OG-N 3.35Å; S192-R196 PolarHBondContact O-N 3.1Å
193A97.3Very high97.7Very high56 Ų5664.3 Ų64.346%0.46334%0.338SS..Hα-helixtrans-56.8-29.6173.400000113.2R197A193-R197 WeakPolarHBondContact O-CG 3.41Å; A193-R197 PolarHBondContact O-N 2.88Å; A193-R197 VanDerWaalsContact O-N 3.08Å; A193-R197 PolarHBondContact O-NH1 3.24Å
194K97.7Very high97.7Very high134 Ų13463.6 Ų63.658%0.58332%0.32SS*.Hα-helixtrans-65.6-49.3174.1-178.2-178.3176.5-177.90111S192 R196 R197 Q198S192-K194 PolarHBondContact O-N 3.49Å; S192-K194 VanDerWaalsContact O-N 3.12Å; K194-R196 VanDerWaalsContact C-N 3.34Å; K194-R196 PolarHBondContact O-N 3.35Å; K194-R197 PolarHBondContact O-N 3.33Å; K194-Q198 WeakPolarHBondContact O-CG 3.22Å; K194-Q198 PolarHBondContact O-N 3.19Å
195K98.1Very high97.7Very high34 Ų3465.3 Ų65.315%0.14833%0.332CS..Hα-helixtrans-59.2-45.8175.7-73.2-168.3173.5-170.30110.7D150 W153 F191 S192 R197 Q198 L199D150-K195 IonicContact OD1-NZ 3.14Å; D150-K195 PolarHBondContact OD1-NZ 3.16Å; W153-K195 HydrophobicContact CD2-CD 3.76Å; W153-K195 HydrophobicContact CD2-CG 4.15Å; W153-K195 HydrophobicContact CE3-CD 4.07Å; W153-K195 HydrophobicContact CG-CD 4.17Å; W153-K195 HydrophobicContact CH2-CB 3.64Å; W153-K195 HydrophobicContact CH2-CD 4.47Å; W153-K195 HydrophobicContact CH2-CG 4.05Å; W153-K195 VanDerWaalsContact CH2-O 3.27Å; W153-K195 WeakPolarHBondContact CH2-O 3.26Å; W153-K195 HydrophobicContact CZ2-CB 3.69Å; W153-K195 HydrophobicContact CZ2-CD 4.19Å; W153-K195 HydrophobicContact CZ2-CG 3.63Å; W153-K195 HydrophobicContact CZ3-CB 4.12Å; W153-K195 HydrophobicContact CZ3-CD 4.41Å; W153-K195 HydrophobicContact CZ3-CG 4.47Å; F191-K195 HydrophobicContact CD2-CB 3.97Å; F191-K195 HydrophobicContact CD2-CD 4.25Å; F191-K195 HydrophobicContact CE2-CB 3.62Å; F191-K195 HydrophobicContact CE2-CD 4.37Å; F191-K195 HydrophobicContact CZ-CB 4.1Å; S192-K195 PolarHBondContact O-N 2.86Å; S192-K195 PolarHBondContact OG-N 3.35Å; K195-R197 PolarHBondContact O-N 3.34Å; K195-Q198 PolarHBondContact O-N 2.97Å; K195-Q198 VanDerWaalsContact O-N 3.17Å; K195-L199 WeakPolarHBondContact O-CB 3.42Å; K195-L199 PolarHBondContact O-N 3.29Å
196R98.2Very high97.7Very high67 Ų6765.3 Ų65.325%0.25333%0.332SS..Hα-helixtrans-54.7-47.4176.1-169.9171.5-172.1141.5-1.5112.6D186 F191 S192 K194 L199 L200 L234D186-R196 IonicContact OD1-CZ 2.94Å; D186-R196 IonicContact OD1-NH1 3.92Å; D186-R196 PolarHBondContact OD1-NH1 2.81Å; F191-R196 HydrophobicContact CD1-CB 4.24Å; F191-R196 HydrophobicContact CE1-CB 3.62Å; F191-R196 HydrophobicContact CE1-CG 4.02Å; F191-R196 HydrophobicContact CZ-CB 4.29Å; S192-R196 PolarHBondContact O-N 3.1Å; K194-R196 VanDerWaalsContact C-N 3.34Å; K194-R196 PolarHBondContact O-N 3.35Å; R196-L199 PolarHBondContact O-N 2.93Å; R196-L200 HydrophobicContact CG-CD1 4.4Å; R196-L200 WeakPolarHBondContact O-CG 3.37Å; R196-L200 PolarHBondContact O-N 3.42Å; R196-L234 PolarHBondContact NH2-O 3.4Å
197R97.9Very high97.8Very high163 Ų16361.1 Ų61.162%0.61531%0.308SS*.Hα-helixtrans-64-42.2177.2-72.4-168.2-57-884.8113.1A193 K194 K195 L199 R201A193-R197 WeakPolarHBondContact O-CG 3.41Å; A193-R197 PolarHBondContact O-N 2.88Å; A193-R197 VanDerWaalsContact O-N 3.08Å; A193-R197 PolarHBondContact O-NH1 3.24Å; K194-R197 PolarHBondContact O-N 3.33Å; K195-R197 PolarHBondContact O-N 3.34Å; R197-L199 VanDerWaalsContact C-N 3.33Å; R197-R201 PolarHBondContact O-N 3.08Å; R197-R201 VanDerWaalsContact O-N 3.12Å
198Q98.3Very high97.8Very high72 Ų7263 Ų6334%0.33631%0.314SS..Hα-helixtrans-63-42.1177.1-71.2176-5500111.4W153 K194 K195 R201 W202W153-Q198 HydrophobicContact CH2-CB 4.46Å; W153-Q198 HydrophobicContact CZ2-CB 4.13Å; K194-Q198 WeakPolarHBondContact O-CG 3.22Å; K194-Q198 PolarHBondContact O-N 3.19Å; K195-Q198 PolarHBondContact O-N 2.97Å; K195-Q198 VanDerWaalsContact O-N 3.17Å; Q198-R201 PolarHBondContact O-N 3.27Å; Q198-W202 WeakPolarHBondContact O-CB 3.39Å; Q198-W202 PolarHBondContact O-N 2.97Å
199L98.6Very high97.8Very high0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-63.4-47.9177.4178.159000112.3W153 G157 T172 V176 F191 K195 R196 R197 R201 W202 L203 L234W153-L199 HydrophobicContact CH2-CB 4Å; W153-L199 HydrophobicContact CZ3-CB 4.33Å; G157-L199 WeakPolarHBondContact O-CA 3.45Å; G157-L199 WeakPolarHBondContact O-CB 3.35Å; G157-L199 WeakPolarHBondContact O-CD1 3.38Å; T172-L199 HydrophobicContact CG2-CD1 3.45Å; T172-L199 VanDerWaalsContact CG2-CD1 3.45Å; V176-L199 HydrophobicContact CG2-CD2 3.67Å; F191-L199 HydrophobicContact CE1-CD2 4.42Å; F191-L199 HydrophobicContact CE2-CD2 4.48Å; F191-L199 HydrophobicContact CZ-CB 4.31Å; F191-L199 HydrophobicContact CZ-CD2 3.67Å; K195-L199 WeakPolarHBondContact O-CB 3.42Å; K195-L199 PolarHBondContact O-N 3.29Å; R196-L199 PolarHBondContact O-N 2.93Å; R197-L199 VanDerWaalsContact C-N 3.33Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 3.3Å; L199-W202 HydrophobicContact CD1-CE3 4.38Å; L199-W202 PolarHBondContact O-N 2.87Å; L199-W202 VanDerWaalsContact O-N 3.11Å; L199-L203 HydrophobicContact CD1-CD1 3.88Å; L199-L203 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CD1-CG 3.87Å; L199-L203 HydrophobicContact CG-CD1 3.79Å; L199-L203 HydrophobicContact CG-CG 4.25Å; L199-L203 WeakPolarHBondContact O-CB 3.35Å; L199-L203 VanDerWaalsContact O-CG 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 3.04Å; L199-L234 HydrophobicContact CD2-CD1 3.68Å; L199-L234 HydrophobicContact CD2-CD2 4.47Å; L199-L234 HydrophobicContact CG-CD1 4.04Å
200L98.6Very high97.9Very high38 Ų3857.1 Ų57.120%0.19927%0.269CS..Hα-helixtrans-58.1-43.8177.1-71.5175.8000111.7R196 W202 L203 V204 L231 L234 A236R196-L200 HydrophobicContact CG-CD1 4.4Å; R196-L200 WeakPolarHBondContact O-CG 3.37Å; R196-L200 PolarHBondContact O-N 3.42Å; L200-W202 PolarHBondContact O-N 2.86Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-V204 WeakPolarHBondContact O-CG2 3.05Å; L200-V204 PolarHBondContact O-N 3.35Å; L200-L231 HydrophobicContact CD2-CD2 4.3Å; L200-L234 HydrophobicContact CD2-CB 4.05Å; L200-L234 HydrophobicContact CD2-CD1 3.9Å; L200-A236 HydrophobicContact CD2-CB 3.34Å
201R98.4Very high97.9Very high179 Ų17955.6 Ų55.668%0.67526%0.259SS*.Hα-helixtrans-59.5-46.9173.9179.4-179.8175.286.70.7111.4R197 Q198 L199 L205R197-R201 PolarHBondContact O-N 3.08Å; R197-R201 VanDerWaalsContact O-N 3.12Å; Q198-R201 PolarHBondContact O-N 3.27Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 3.3Å; R201-L205 HydrophobicContact CG-CD1 3.92Å; R201-L205 WeakPolarHBondContact O-CB 3.24Å; R201-L205 VanDerWaalsContact O-CG 3.23Å; R201-L205 WeakPolarHBondContact O-CG 3.43Å; R201-L205 PolarHBondContact O-N 3.05Å
202W98.5Very high98Very high8 Ų855.6 Ų55.63%0.0326%0.259CS..Hα-helixtrans-62.8-42.2-179-176.588.2000112.1A167 T172 Q198 L199 L200 K206 I227A167-W202 HydrophobicContact CB-CZ2 3.87Å; T172-W202 HydrophobicContact CG2-CZ3 4.08Å; Q198-W202 WeakPolarHBondContact O-CB 3.39Å; Q198-W202 PolarHBondContact O-N 2.97Å; L199-W202 HydrophobicContact CD1-CE3 4.38Å; L199-W202 PolarHBondContact O-N 2.87Å; L199-W202 VanDerWaalsContact O-N 3.11Å; L200-W202 PolarHBondContact O-N 2.86Å; W202-K206 HydrophobicContact CD2-CD 4.46Å; W202-K206 HydrophobicContact CE3-CG 4.36Å; W202-K206 HydrophobicContact CH2-CD 4.07Å; W202-K206 HydrophobicContact CH2-CG 4.38Å; W202-K206 HydrophobicContact CZ2-CD 4Å; W202-K206 HydrophobicContact CZ3-CD 4.36Å; W202-K206 HydrophobicContact CZ3-CG 4.21Å; W202-K206 WeakPolarHBondContact O-CE 3.35Å; W202-K206 WeakPolarHBondContact O-CG 3.48Å; W202-K206 PolarHBondContact O-N 2.95Å; W202-I227 HydrophobicContact CZ3-CD1 4.22Å
203L98.6Very high98Very high0 Ų053.6 Ų53.60%025%0.245CC..Hα-helixtrans-65.9-47.8179.3-70167.7000112.8T172 L199 L200 L205 K206 I227 T230 L231 L234T172-L203 HydrophobicContact CG2-CD2 4.2Å; L199-L203 HydrophobicContact CD1-CD1 3.88Å; L199-L203 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CD1-CG 3.87Å; L199-L203 HydrophobicContact CG-CD1 3.79Å; L199-L203 HydrophobicContact CG-CG 4.25Å; L199-L203 WeakPolarHBondContact O-CB 3.35Å; L199-L203 VanDerWaalsContact O-CG 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 3.04Å; L200-L203 PolarHBondContact O-N 3.3Å; L203-L205 VanDerWaalsContact C-N 3.26Å; L203-L205 PolarHBondContact O-N 3.4Å; L203-K206 VanDerWaalsContact O-CB 3.23Å; L203-K206 WeakPolarHBondContact O-CB 3.36Å; L203-K206 PolarHBondContact O-N 3.41Å; L203-I227 HydrophobicContact CB-CG2 4.36Å; L203-I227 HydrophobicContact CD2-CD1 3.86Å; L203-I227 HydrophobicContact CD2-CG2 4.06Å; L203-T230 HydrophobicContact CD1-CG2 3.6Å; L203-T230 HydrophobicContact CD2-CG2 3.95Å; L203-T230 HydrophobicContact CG-CG2 4.44Å; L203-L231 HydrophobicContact CB-CD2 3.73Å; L203-L231 HydrophobicContact CB-CG 4.13Å; L203-L231 HydrophobicContact CD1-CD2 3.9Å; L203-L231 HydrophobicContact CD1-CG 4.24Å; L203-L231 HydrophobicContact CG-CD2 4.45Å; L203-L234 HydrophobicContact CD1-CD1 3.59Å
204V97.9Very high98Very high47 Ų4754.8 Ų54.829%0.28524%0.238SC..Hα-helixtrans-63.2-36.7179.6174.20000110.8L200 K206 Q207 L231 L239L200-V204 WeakPolarHBondContact O-CG2 3.05Å; L200-V204 PolarHBondContact O-N 3.35Å; V204-K206 PolarHBondContact O-N 2.88Å; V204-K206 VanDerWaalsContact O-N 3.14Å; V204-Q207 PolarHBondContact O-N 2.92Å; V204-L231 HydrophobicContact CG2-CD2 4.38Å; V204-L239 HydrophobicContact CG2-CB 3.71Å; V204-L239 HydrophobicContact CG2-CD1 4.09Å
205L98Very high97.9Very high103 Ų10351.9 Ų51.954%0.53923%0.228SC..THydrogen-bonded Turntrans-71.1-0.7174.5-67.5174.7000114.1R201 L203 Q207 H212R201-L205 HydrophobicContact CG-CD1 3.92Å; R201-L205 WeakPolarHBondContact O-CB 3.24Å; R201-L205 VanDerWaalsContact O-CG 3.23Å; R201-L205 WeakPolarHBondContact O-CG 3.43Å; R201-L205 PolarHBondContact O-N 3.05Å; L203-L205 VanDerWaalsContact C-N 3.26Å; L203-L205 PolarHBondContact O-N 3.4Å; L205-Q207 VanDerWaalsContact C-N 3.33Å; L205-H212 PolarHBondContact O-CE1 3.19Å; L205-H212 PolarHBondContact O-NE2 3.05Å
206K98.2Very high97.8Very high5 Ų557.5 Ų57.52%0.02226%0.26CS..THydrogen-bonded Turntrans-81.2-14.1170.7-62.9-54.195.7-150.50112.7W202 L203 V204 F211 H212 I227W202-K206 HydrophobicContact CD2-CD 4.46Å; W202-K206 HydrophobicContact CE3-CG 4.36Å; W202-K206 HydrophobicContact CH2-CD 4.07Å; W202-K206 HydrophobicContact CH2-CG 4.38Å; W202-K206 HydrophobicContact CZ2-CD 4Å; W202-K206 HydrophobicContact CZ3-CD 4.36Å; W202-K206 HydrophobicContact CZ3-CG 4.21Å; W202-K206 WeakPolarHBondContact O-CE 3.35Å; W202-K206 WeakPolarHBondContact O-CG 3.48Å; W202-K206 PolarHBondContact O-N 2.95Å; L203-K206 VanDerWaalsContact O-CB 3.23Å; L203-K206 WeakPolarHBondContact O-CB 3.36Å; L203-K206 PolarHBondContact O-N 3.41Å; V204-K206 PolarHBondContact O-N 2.88Å; V204-K206 VanDerWaalsContact O-N 3.14Å; K206-F211 HydrophobicContact CB-CD1 4.05Å; K206-F211 WeakPolarHBondContact O-CA 3.44Å; K206-H212 VanDerWaalsContact C-CE1 3.49Å; K206-H212 WeakPolarHBondContact CB-O 3.3Å; K206-H212 VanDerWaalsContact CD-O 3.31Å; K206-H212 WeakPolarHBondContact CD-O 3.35Å; K206-H212 PolarHBondContact NZ-CD2 3.18Å; K206-H212 PolarHBondContact NZ-NE2 3.18Å; K206-H212 PolarHBondContact O-CE1 3.39Å; K206-H212 PolarHBondContact O-N 3.12Å; K206-H212 PolarHBondContact O-ND1 2.99Å; K206-I227 HydrophobicContact CB-CD1 4.27Å; K206-I227 HydrophobicContact CB-CG1 4.14Å; K206-I227 HydrophobicContact CB-CG2 4.3Å; K206-I227 HydrophobicContact CG-CD1 3.83Å; K206-I227 HydrophobicContact CG-CG1 4.26Å
207Q98.1Very high97.8Very high33 Ų3359.1 Ų59.115%0.15427%0.269CS..BIsolated β-bridgetrans-81.5124179.9-159.8175.29.600110.9V204 L205 G210 F211 D241V204-Q207 PolarHBondContact O-N 2.92Å; L205-Q207 VanDerWaalsContact C-N 3.33Å; Q207-G210 WeakPolarHBondContact CA-O 3.03Å; Q207-G210 VanDerWaalsContact CG-O 3.29Å; Q207-G210 WeakPolarHBondContact CG-O 3.46Å; Q207-F211 HydrophobicContact CB-CD1 3.87Å; Q207-F211 HydrophobicContact CB-CE1 3.55Å; Q207-F211 HydrophobicContact CB-CZ 4.22Å; Q207-F211 HydrophobicContact CG-CD1 4.22Å; Q207-F211 HydrophobicContact CG-CE1 3.82Å; Q207-F211 HydrophobicContact CG-CZ 4Å; Q207-D241 PolarHBondContact NE2-O 3.41Å
208K96.5Very high97.8Very high87 Ų8757 Ų5738%0.37827%0.269SS..SBendtrans-112.8-81.6163.2-68.1171.1175.6171.10109G210 K217 D219 R244K208-G210 PolarHBondContact N-O 3.24Å; K208-G210 VanDerWaalsContact N-O 3.13Å; K208-K217 PolarHBondContact NZ-O 3.22Å; K208-D219 WeakPolarHBondContact CB-OD2 3.48Å; K208-R244 WeakPolarHBondContact O-CD 3.13Å; K208-R244 PolarHBondContact O-NH1 3.29Å
209E96.8Very high97.7Very high89 Ų8954.3 Ų54.342%0.41626%0.258SS..SBendtrans-101.5-58.7167.5-59.8-51.7135.500109D219 R244 F248E209-D219 PolarHBondContact N-OD2 3.25Å; E209-R244 CarbonylContact O-C 3.56Å; E209-R244 IonicContact OE1-NH1 3.83Å; E209-R244 WeakPolarHBondContact OE2-CD 3.36Å; E209-R244 WeakPolarHBondContact OE2-CG 3.4Å; E209-F248 HydrophobicContact CB-CB 4.22Å; E209-F248 HydrophobicContact CB-CD2 4.02Å; E209-F248 HydrophobicContact CB-CG 4.43Å
210G97.6Very high97.7Very high0 Ų055 Ų550%026%0.261CS..SBendtrans-94.1-133.7160.500000110.8Q207 K208 D219 F248Q207-G210 WeakPolarHBondContact CA-O 3.03Å; Q207-G210 VanDerWaalsContact CG-O 3.29Å; Q207-G210 WeakPolarHBondContact CG-O 3.46Å; K208-G210 PolarHBondContact N-O 3.24Å; K208-G210 VanDerWaalsContact N-O 3.13Å; G210-D219 VanDerWaalsContact C-OD2 3.27Å; G210-D219 WeakPolarHBondContact CA-OD2 3.3Å; G210-D219 PolarHBondContact N-OD2 2.84Å; G210-F248 VanDerWaalsContact CA-CD1 3.48Å
211F98.5Very high97.7Very high1 Ų153.2 Ų53.20%0.00425%0.252CS..BIsolated β-bridgetrans-128.4145.2173.6-68-85.3000111.3K206 Q207 D219 D220 Y223 I227 I240 L245K206-F211 HydrophobicContact CB-CD1 4.05Å; K206-F211 WeakPolarHBondContact O-CA 3.44Å; Q207-F211 HydrophobicContact CB-CD1 3.87Å; Q207-F211 HydrophobicContact CB-CE1 3.55Å; Q207-F211 HydrophobicContact CB-CZ 4.22Å; Q207-F211 HydrophobicContact CG-CD1 4.22Å; Q207-F211 HydrophobicContact CG-CE1 3.82Å; Q207-F211 HydrophobicContact CG-CZ 4Å; F211-D219 VanDerWaalsContact O-CA 3.31Å; F211-D219 WeakPolarHBondContact O-CA 3.22Å; F211-D220 PolarHBondContact O-N 3.22Å; F211-Y223 WeakPolarHBondContact O-CB 3.09Å; F211-I227 HydrophobicContact CB-CB 4.35Å; F211-I227 HydrophobicContact CB-CG1 4.13Å; F211-I227 HydrophobicContact CD1-CB 3.88Å; F211-I227 HydrophobicContact CD1-CG1 4.27Å; F211-I227 HydrophobicContact CD1-CG2 3.55Å; F211-I227 HydrophobicContact CE1-CB 4.35Å; F211-I227 HydrophobicContact CE1-CG2 3.68Å; F211-I227 HydrophobicContact CG-CB 4.06Å; F211-I227 HydrophobicContact CG-CG1 4.35Å; F211-I227 HydrophobicContact CG-CG2 4.24Å; F211-I227 HydrophobicContact CZ-CG2 4.46Å; F211-I240 HydrophobicContact CE1-CG2 4.08Å; F211-I240 HydrophobicContact CZ-CB 4.18Å; F211-I240 HydrophobicContact CZ-CD1 4.19Å; F211-I240 HydrophobicContact CZ-CG2 3.72Å; F211-L245 HydrophobicContact CD2-CD1 3.92Å; F211-L245 HydrophobicContact CE2-CD1 3.91Å; F211-L245 HydrophobicContact CE2-CD2 3.95Å; F211-L245 HydrophobicContact CE2-CG 4.45Å
212H98.4Very high97.7Very high7 Ų745 Ų453%0.03222%0.222CC..  trans-108.7147.9169.655.7-96.7000111.5L205 K206 R214 K217 D218 D219L205-H212 PolarHBondContact O-CE1 3.19Å; L205-H212 PolarHBondContact O-NE2 3.05Å; K206-H212 VanDerWaalsContact C-CE1 3.49Å; K206-H212 WeakPolarHBondContact CB-O 3.3Å; K206-H212 VanDerWaalsContact CD-O 3.31Å; K206-H212 WeakPolarHBondContact CD-O 3.35Å; K206-H212 PolarHBondContact NZ-CD2 3.18Å; K206-H212 PolarHBondContact NZ-NE2 3.18Å; K206-H212 PolarHBondContact O-CE1 3.39Å; K206-H212 PolarHBondContact O-N 3.12Å; K206-H212 PolarHBondContact O-ND1 2.99Å; H212-R214 VanDerWaalsContact C-N 3.35Å; H212-R214 PolarHBondContact CD2-O 3.07Å; H212-R214 PolarHBondContact O-N 3.34Å; H212-K217 HydrophobicContact CB-CB 4.44Å; H212-K217 WeakPolarHBondContact CB-O 3.43Å; H212-D218 WeakPolarHBondContact CB-O 3.09Å; H212-D219 WeakPolarHBondContact CB-OD1 3.35Å; H212-D219 IonicContact CG-OD1 2.96Å; H212-D219 PolarHBondContact N-OD1 3.41Å; H212-D219 IonicContact ND1-OD1 3.49Å; H212-D219 PolarHBondContact ND1-OD1 2.92Å; H212-D219 VanDerWaalsContact ND1-OD1 3.15Å
213G97.9Very high97.7Very high2 Ų245.9 Ų45.92%0.02123%0.225CC..SBendtrans-73.5-22.1-177.400000115.8H168 G169 Y223H168-G213 CarbonylContact C-O 3.59Å; G169-G213 PolarHBondContact N-O 3.02Å; G213-Y223 VanDerWaalsContact CA-CD1 3.49Å
214R97.9Very high97.7Very high82 Ų8245.9 Ų45.931%0.30923%0.226SC..SBendtrans-149.8152.4-170-72.1178.7-80.2175.8-3111.8E166 H168 H212 N216 K217E166-R214 VanDerWaalsContact CD-CD 3.41Å; E166-R214 WeakPolarHBondContact OE2-CD 3.32Å; E166-R214 IonicContact OE2-NH1 3.04Å; E166-R214 PolarHBondContact OE2-NH1 2.83Å; H168-R214 HydrophobicContact CB-CG 4.27Å; H212-R214 VanDerWaalsContact C-N 3.35Å; H212-R214 PolarHBondContact CD2-O 3.07Å; H212-R214 PolarHBondContact O-N 3.34Å; R214-N216 PolarHBondContact O-N 3.44Å; R214-K217 HydrophobicContact CB-CB 4.48Å; R214-K217 HydrophobicContact CB-CG 3.9Å; R214-K217 PolarHBondContact O-N 2.81Å
215I95.9Very high97.8Very high72 Ų7243.7 Ų43.737%0.36921%0.212SC..THydrogen-bonded Turntrans-55.2136.3178.1-57.6174.7000109.6E156 K217E156-I215 HydrophobicContact CB-CD1 4.49Å; E156-I215 HydrophobicContact CG-CD1 4.35Å; E156-I215 WeakPolarHBondContact OE1-CD1 3.41Å; I215-K217 VanDerWaalsContact C-N 3.27Å; I215-K217 PolarHBondContact O-N 3.33Å
216N95.8Very high97.8Very high152 Ų15241.5 Ų41.581%0.81320%0.197SC*.THydrogen-bonded Turntrans6125.1-179.4-56.2-32.6000115.7R214R214-N216 PolarHBondContact O-N 3.44Å
217K97.4Very high97.8Very high102 Ų10241.2 Ų41.244%0.44320%0.196SC..PPolyproline II helixtrans-102.8162.4165.3-68.5-61.2-167.1178.30111.4K208 H212 R214 I215K208-K217 PolarHBondContact NZ-O 3.22Å; H212-K217 HydrophobicContact CB-CB 4.44Å; H212-K217 WeakPolarHBondContact CB-O 3.43Å; R214-K217 HydrophobicContact CB-CB 4.48Å; R214-K217 HydrophobicContact CB-CG 3.9Å; R214-K217 PolarHBondContact O-N 2.81Å; I215-K217 VanDerWaalsContact C-N 3.27Å; I215-K217 PolarHBondContact O-N 3.33Å
218D97.3Very high97.9Very high117 Ų11739.7 Ų39.763%0.62619%0.188SC*.PPolyproline II helixtrans-75.5156.9172.6-56.3-44.9000110.4H212H212-D218 WeakPolarHBondContact CB-O 3.09Å
219D98.1Very high98Very high17 Ų1735.5 Ų35.59%0.09117%0.17CC..PPolyproline II helixtrans-68.2149.2176.7-70.1-7.1000110.4K208 E209 G210 F211 H212 F248K208-D219 WeakPolarHBondContact CB-OD2 3.48Å; E209-D219 PolarHBondContact N-OD2 3.25Å; G210-D219 VanDerWaalsContact C-OD2 3.27Å; G210-D219 WeakPolarHBondContact CA-OD2 3.3Å; G210-D219 PolarHBondContact N-OD2 2.84Å; F211-D219 VanDerWaalsContact O-CA 3.31Å; F211-D219 WeakPolarHBondContact O-CA 3.22Å; H212-D219 WeakPolarHBondContact CB-OD1 3.35Å; H212-D219 IonicContact CG-OD1 2.96Å; H212-D219 PolarHBondContact N-OD1 3.41Å; H212-D219 IonicContact ND1-OD1 3.49Å; H212-D219 PolarHBondContact ND1-OD1 2.92Å; H212-D219 VanDerWaalsContact ND1-OD1 3.15Å; D219-F248 HydrophobicContact CB-CE2 4.09Å; D219-F248 HydrophobicContact CB-CZ 4.02Å
220D98.3Very high98.1Very high13 Ų1331.3 Ų31.37%0.0715%0.151CC..  trans-145.3125.6-178.1166.5-18.6000107.5F211 C222 Y223 R262 H272F211-D220 PolarHBondContact O-N 3.22Å; D220-C222 PolarHBondContact O-N 2.88Å; D220-C222 PolarHBondContact OD1-N 2.58Å; D220-C222 VanDerWaalsContact OD1-N 3.07Å; D220-C222 PolarHBondContact OD1-SG 2.92Å; D220-Y223 HydrophobicContact CB-CD2 3.68Å; D220-Y223 HydrophobicContact CB-CE2 3.82Å; D220-Y223 WeakPolarHBondContact O-CB 3.49Å; D220-Y223 WeakPolarHBondContact O-CD2 3.33Å; D220-Y223 PolarHBondContact O-N 3.3Å; D220-R262 WeakPolarHBondContact CA-O 3.5Å; D220-R262 HydrophobicContact CB-CG 4.06Å; D220-R262 VanDerWaalsContact CG-CG 3.44Å; D220-R262 WeakPolarHBondContact OD2-CD 3.47Å; D220-R262 WeakPolarHBondContact OD2-CG 3.44Å; D220-R262 IonicContact OD2-CZ 3.23Å; D220-R262 IonicContact OD2-NE 3.16Å; D220-R262 PolarHBondContact OD2-NE 3.2Å; D220-H272 IonicContact OD1-CD2 3.68Å; D220-H272 PolarHBondContact OD1-CD2 2.94Å; D220-H272 IonicContact OD1-NE2 3.15Å; D220-H272 PolarHBondContact OD1-NE2 3.49Å; D220-H272 IonicContact OD2-NE2 4Å
221S98.3Very high98.1Very high1 Ų131.3 Ų31.31%0.00715%0.151CC..THydrogen-bonded Turntrans-55.7-26.8-170.568.50000114.1Y223 A224 S261 R262 H272S221-Y223 PolarHBondContact O-N 3.2Å; S221-A224 VanDerWaalsContact O-CB 3.22Å; S221-A224 WeakPolarHBondContact O-CB 3.12Å; S221-A224 PolarHBondContact O-N 3.48Å; S221-A224 VanDerWaalsContact O-N 3.14Å; S221-S261 VanDerWaalsContact CB-O 3.25Å; S221-S261 WeakPolarHBondContact CB-O 3.48Å; S221-S261 PolarHBondContact OG-O 3.4Å; S221-R262 PolarHBondContact N-O 3.11Å; S221-H272 PolarHBondContact OG-CD2 3.37Å
222C98.6Very high98.1Very high8 Ų835 Ų355%0.05417%0.165CC..THydrogen-bonded Turntrans-67.2-23.3178.174.70000113.1D220 A224 F225 W226 L271 L275D220-C222 PolarHBondContact O-N 2.88Å; D220-C222 PolarHBondContact OD1-N 2.58Å; D220-C222 VanDerWaalsContact OD1-N 3.07Å; D220-C222 PolarHBondContact OD1-SG 2.92Å; C222-A224 PolarHBondContact O-N 2.87Å; C222-F225 PolarHBondContact O-N 3.43Å; C222-F225 VanDerWaalsContact O-N 3.11Å; C222-W226 VanDerWaalsContact O-CD1 3.23Å; C222-W226 PolarHBondContact O-N 3.26Å; C222-L271 HydrophobicContact CB-CD2 4.03Å; C222-L275 HydrophobicContact CB-CB 3.96Å; C222-L275 HydrophobicContact CB-CD1 3.72Å
223Y98.7Very high98.1Very high25 Ų2535.5 Ų35.510%0.09817%0.167CC..Hα-helixtrans-73.7-12.6176.7-68.2-71.4000113.4H168 F211 G213 D220 S221 F225 W226 I227H168-Y223 AromaticContact CE1-CE1 3.97Å; H168-Y223 AromaticContact CE1-CZ 3.95Å; H168-Y223 PolarHBondContact CE1-OH 2.93Å; H168-Y223 PolarHBondContact NE2-OH 2.88Å; F211-Y223 WeakPolarHBondContact O-CB 3.09Å; G213-Y223 VanDerWaalsContact CA-CD1 3.49Å; D220-Y223 HydrophobicContact CB-CD2 3.68Å; D220-Y223 HydrophobicContact CB-CE2 3.82Å; D220-Y223 WeakPolarHBondContact O-CB 3.49Å; D220-Y223 WeakPolarHBondContact O-CD2 3.33Å; D220-Y223 PolarHBondContact O-N 3.3Å; S221-Y223 PolarHBondContact O-N 3.2Å; Y223-F225 PolarHBondContact O-N 3.49Å; Y223-W226 HydrophobicContact CD1-CB 3.86Å; Y223-W226 AromaticContact CD1-CD1 3.82Å; Y223-W226 HydrophobicContact CD1-CG 4.23Å; Y223-W226 HydrophobicContact CE1-CB 4.41Å; Y223-W226 AromaticContact CE1-CD1 3.96Å; Y223-W226 HydrophobicContact CE1-CG 4.49Å; Y223-W226 PolarHBondContact O-N 3.2Å; Y223-I227 HydrophobicContact CD1-CG1 4.26Å; Y223-I227 VanDerWaalsContact O-CB 3.32Å; Y223-I227 WeakPolarHBondContact O-CB 3.17Å; Y223-I227 PolarHBondContact O-N 3.21Å
224A98.6Very high98.1Very high1 Ų135.6 Ų35.61%0.00817%0.167CC..Hα-helixtrans-52.7-40.4163.900000110.5S221 C222 G228 L245 F276 G279S221-A224 VanDerWaalsContact O-CB 3.22Å; S221-A224 WeakPolarHBondContact O-CB 3.12Å; S221-A224 PolarHBondContact O-N 3.48Å; S221-A224 VanDerWaalsContact O-N 3.14Å; C222-A224 PolarHBondContact O-N 2.87Å; A224-G228 VanDerWaalsContact O-CA 3.29Å; A224-G228 WeakPolarHBondContact O-CA 3.32Å; A224-G228 PolarHBondContact O-N 3.01Å; A224-L245 HydrophobicContact CB-CD1 4.09Å; A224-F276 HydrophobicContact CB-CD2 3.74Å; A224-F276 HydrophobicContact CB-CE2 4.02Å; A224-G279 WeakPolarHBondContact O-CA 3.14Å
225F98.8Very high98.1Very high0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-78.4-57.9170.6-179.7-101.5000112.9Y173 C222 Y223 I227 G228 A229 L275 A278 A282 F291 N296Y173-F225 HydrophobicContact CD2-CE1 4.3Å; Y173-F225 HydrophobicContact CE1-CE1 4.12Å; Y173-F225 AromaticContact CE2-CE1 3.78Å; Y173-F225 HydrophobicContact CE2-CE1 3.78Å; Y173-F225 AromaticContact CE2-CZ 3.71Å; Y173-F225 HydrophobicContact CE2-CZ 3.71Å; Y173-F225 AromaticContact CZ-CE1 3.69Å; Y173-F225 AromaticContact CZ-CZ 3.71Å; C222-F225 PolarHBondContact O-N 3.43Å; C222-F225 VanDerWaalsContact O-N 3.11Å; Y223-F225 PolarHBondContact O-N 3.49Å; F225-I227 VanDerWaalsContact C-N 3.3Å; F225-I227 PolarHBondContact O-N 2.75Å; F225-G228 PolarHBondContact O-N 3.48Å; F225-A229 HydrophobicContact CD2-CB 3.87Å; F225-A229 HydrophobicContact CE1-CB 4.34Å; F225-A229 HydrophobicContact CE2-CB 3.55Å; F225-A229 HydrophobicContact CG-CB 4.37Å; F225-A229 HydrophobicContact CZ-CB 3.8Å; F225-A229 WeakPolarHBondContact O-CA 3.42Å; F225-A229 WeakPolarHBondContact O-CB 3.42Å; F225-A229 PolarHBondContact O-N 2.81Å; F225-L275 HydrophobicContact CB-CB 4.1Å; F225-L275 HydrophobicContact CB-CD2 4.09Å; F225-L275 WeakPolarHBondContact CB-O 3.14Å; F225-L275 HydrophobicContact CD1-CD2 3.68Å; F225-L275 HydrophobicContact CE1-CD2 4.37Å; F225-L275 HydrophobicContact CG-CD2 3.93Å; F225-A278 HydrophobicContact CD2-CB 3.84Å; F225-A278 HydrophobicContact CE2-CB 4.4Å; F225-A278 HydrophobicContact CG-CB 4.48Å; F225-A282 HydrophobicContact CD2-CB 4.44Å; F225-F291 AromaticContact CE2-CE1 3.89Å; F225-F291 HydrophobicContact CE2-CE1 3.89Å; F225-N296 HydrophobicContact CE1-CB 4.4Å; F225-N296 HydrophobicContact CE2-CB 4.38Å; F225-N296 WeakPolarHBondContact CE2-OD1 3.43Å; F225-N296 HydrophobicContact CZ-CB 3.69Å; F225-N296 WeakPolarHBondContact CZ-OD1 3.18Å
226W98.8Very high98.2Very high57 Ų5733.2 Ų33.222%0.21617%0.17CC..Hα-helixtrans-58.7-41.9-170.1-58.5121.4000112.8Y173 C222 Y223 T230 L275Y173-W226 AromaticContact CD1-CE3 3.42Å; Y173-W226 HydrophobicContact CD1-CE3 3.42Å; Y173-W226 VanDerWaalsContact CD1-CE3 3.42Å; Y173-W226 AromaticContact CD1-CZ3 3.39Å; Y173-W226 HydrophobicContact CD1-CZ3 3.39Å; Y173-W226 HydrophobicContact CD2-CE3 4.41Å; Y173-W226 HydrophobicContact CE1-CE3 4.04Å; Y173-W226 AromaticContact CE1-CZ3 3.62Å; Y173-W226 HydrophobicContact CE1-CZ3 3.62Å; Y173-W226 AromaticContact CG-CE3 3.65Å; Y173-W226 HydrophobicContact CG-CE3 3.65Å; Y173-W226 HydrophobicContact CG-CZ3 4.1Å; C222-W226 VanDerWaalsContact O-CD1 3.23Å; C222-W226 PolarHBondContact O-N 3.26Å; Y223-W226 HydrophobicContact CD1-CB 3.86Å; Y223-W226 AromaticContact CD1-CD1 3.82Å; Y223-W226 HydrophobicContact CD1-CG 4.23Å; Y223-W226 HydrophobicContact CE1-CB 4.41Å; Y223-W226 AromaticContact CE1-CD1 3.96Å; Y223-W226 HydrophobicContact CE1-CG 4.49Å; Y223-W226 PolarHBondContact O-N 3.2Å; W226-T230 WeakPolarHBondContact O-CB 3.27Å; W226-T230 PolarHBondContact O-OG1 3.3Å; W226-L275 HydrophobicContact CZ2-CD1 3.61Å; W226-L275 HydrophobicContact CZ2-CD2 4.31Å
227I98.7Very high98.2Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-80.1-46.6176.1-56.8-57.5000110.6W202 L203 K206 F211 Y223 F225 A229 T230 L231W202-I227 HydrophobicContact CZ3-CD1 4.22Å; L203-I227 HydrophobicContact CB-CG2 4.36Å; L203-I227 HydrophobicContact CD2-CD1 3.86Å; L203-I227 HydrophobicContact CD2-CG2 4.06Å; K206-I227 HydrophobicContact CB-CD1 4.27Å; K206-I227 HydrophobicContact CB-CG1 4.14Å; K206-I227 HydrophobicContact CB-CG2 4.3Å; K206-I227 HydrophobicContact CG-CD1 3.83Å; K206-I227 HydrophobicContact CG-CG1 4.26Å; F211-I227 HydrophobicContact CB-CB 4.35Å; F211-I227 HydrophobicContact CB-CG1 4.13Å; F211-I227 HydrophobicContact CD1-CB 3.88Å; F211-I227 HydrophobicContact CD1-CG1 4.27Å; F211-I227 HydrophobicContact CD1-CG2 3.55Å; F211-I227 HydrophobicContact CE1-CB 4.35Å; F211-I227 HydrophobicContact CE1-CG2 3.68Å; F211-I227 HydrophobicContact CG-CB 4.06Å; F211-I227 HydrophobicContact CG-CG1 4.35Å; F211-I227 HydrophobicContact CG-CG2 4.24Å; F211-I227 HydrophobicContact CZ-CG2 4.46Å; Y223-I227 HydrophobicContact CD1-CG1 4.26Å; Y223-I227 VanDerWaalsContact O-CB 3.32Å; Y223-I227 WeakPolarHBondContact O-CB 3.17Å; Y223-I227 PolarHBondContact O-N 3.21Å; F225-I227 VanDerWaalsContact C-N 3.3Å; F225-I227 PolarHBondContact O-N 2.75Å; I227-A229 PolarHBondContact O-N 2.92Å; I227-T230 WeakPolarHBondContact O-CB 3.13Å; I227-T230 PolarHBondContact O-N 3.11Å; I227-L231 HydrophobicContact CG2-CD1 3.98Å; I227-L231 HydrophobicContact CG2-CG 4.44Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 3.43Å
228G98.5Very high98.1Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-63-44.2-176.300000113.9A224 F225 T230 L231 R232A224-G228 VanDerWaalsContact O-CA 3.29Å; A224-G228 WeakPolarHBondContact O-CA 3.32Å; A224-G228 PolarHBondContact O-N 3.01Å; F225-G228 PolarHBondContact O-N 3.48Å; G228-T230 VanDerWaalsContact C-N 3.34Å; G228-T230 PolarHBondContact O-N 3.5Å; G228-L231 PolarHBondContact O-N 3.08Å; G228-R232 WeakPolarHBondContact O-CB 3.32Å; G228-R232 PolarHBondContact O-N 3.13Å
229A98.7Very high98.1Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-64.4-37.7174.400000112Y173 F225 I227 R232 I233 A282 A293Y173-A229 HydrophobicContact CD2-CB 3.91Å; Y173-A229 HydrophobicContact CE2-CB 3.71Å; F225-A229 HydrophobicContact CD2-CB 3.87Å; F225-A229 HydrophobicContact CE1-CB 4.34Å; F225-A229 HydrophobicContact CE2-CB 3.55Å; F225-A229 HydrophobicContact CG-CB 4.37Å; F225-A229 HydrophobicContact CZ-CB 3.8Å; F225-A229 WeakPolarHBondContact O-CA 3.42Å; F225-A229 WeakPolarHBondContact O-CB 3.42Å; F225-A229 PolarHBondContact O-N 2.81Å; I227-A229 PolarHBondContact O-N 2.92Å; A229-R232 WeakPolarHBondContact O-CB 3.32Å; A229-R232 PolarHBondContact O-N 3.5Å; A229-I233 WeakPolarHBondContact O-CD1 3.48Å; A229-I233 VanDerWaalsContact O-CG1 3.25Å; A229-I233 WeakPolarHBondContact O-CG1 3.31Å; A229-I233 PolarHBondContact O-N 2.9Å; A229-A282 HydrophobicContact CB-CB 3.92Å; A229-A293 HydrophobicContact CB-CB 4.06Å
230T98.8Very high98.1Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-62.6-47.3173.9-56.80000111.1T172 Y173 V176 L203 W226 I227 G228 R232 I233 L234T172-T230 HydrophobicContact CG2-CG2 4.22Å; Y173-T230 VanDerWaalsContact CA-OG1 3.22Å; Y173-T230 WeakPolarHBondContact CA-OG1 3.44Å; Y173-T230 WeakPolarHBondContact CB-OG1 3.32Å; V176-T230 HydrophobicContact CB-CG2 4.01Å; V176-T230 HydrophobicContact CG1-CG2 4.01Å; V176-T230 HydrophobicContact CG2-CG2 3.89Å; L203-T230 HydrophobicContact CD1-CG2 3.6Å; L203-T230 HydrophobicContact CD2-CG2 3.95Å; L203-T230 HydrophobicContact CG-CG2 4.44Å; W226-T230 WeakPolarHBondContact O-CB 3.27Å; W226-T230 PolarHBondContact O-OG1 3.3Å; I227-T230 WeakPolarHBondContact O-CB 3.13Å; I227-T230 PolarHBondContact O-N 3.11Å; G228-T230 VanDerWaalsContact C-N 3.34Å; G228-T230 PolarHBondContact O-N 3.5Å; T230-R232 VanDerWaalsContact C-N 3.28Å; T230-R232 PolarHBondContact O-N 2.87Å; T230-I233 PolarHBondContact O-N 3.42Å; T230-L234 HydrophobicContact CG2-CD1 4.03Å; T230-L234 WeakPolarHBondContact O-CG 3.48Å; T230-L234 PolarHBondContact O-N 3.43Å
231L98.6Very high98.1Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-60.3-39.2174.8-73.4168.4000111.5L200 L203 V204 I227 G228 L234 S235 A236 H237 I240L200-L231 HydrophobicContact CD2-CD2 4.3Å; L203-L231 HydrophobicContact CB-CD2 3.73Å; L203-L231 HydrophobicContact CB-CG 4.13Å; L203-L231 HydrophobicContact CD1-CD2 3.9Å; L203-L231 HydrophobicContact CD1-CG 4.24Å; L203-L231 HydrophobicContact CG-CD2 4.45Å; V204-L231 HydrophobicContact CG2-CD2 4.38Å; I227-L231 HydrophobicContact CG2-CD1 3.98Å; I227-L231 HydrophobicContact CG2-CG 4.44Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 3.43Å; G228-L231 PolarHBondContact O-N 3.08Å; L231-L234 CarbonylContact O-C 3.53Å; L231-L234 PolarHBondContact O-N 3.22Å; L231-S235 PolarHBondContact O-N 3.11Å; L231-A236 HydrophobicContact CD2-CB 4.23Å; L231-A236 PolarHBondContact O-N 2.83Å; L231-H237 HydrophobicContact CB-CB 4.48Å; L231-H237 PolarHBondContact O-N 3.25Å; L231-I240 HydrophobicContact CD1-CG2 3.44Å; L231-I240 VanDerWaalsContact CD1-CG2 3.44Å
232R98.1Very high98Very high80 Ų8033 Ų3330%0.30216%0.163SC..Hα-helixtrans-62.5-46.8176.4-179.362.3175.899.3-3.7112.6G228 A229 T230 L234 S235 H237 A282 N284 A293G228-R232 WeakPolarHBondContact O-CB 3.32Å; G228-R232 PolarHBondContact O-N 3.13Å; A229-R232 WeakPolarHBondContact O-CB 3.32Å; A229-R232 PolarHBondContact O-N 3.5Å; T230-R232 VanDerWaalsContact C-N 3.28Å; T230-R232 PolarHBondContact O-N 2.87Å; R232-L234 PolarHBondContact O-N 3.45Å; R232-S235 PolarHBondContact O-N 3.36Å; R232-H237 WeakPolarHBondContact CD-ND1 3.43Å; R232-A282 WeakPolarHBondContact CB-O 3.18Å; R232-A282 WeakPolarHBondContact CD-O 3.35Å; R232-A282 WeakPolarHBondContact CG-O 3.24Å; R232-N284 PolarHBondContact NE-ND2 2.95Å; R232-A293 HydrophobicContact CB-CB 4.09Å; R232-A293 HydrophobicContact CG-CB 3.88Å
233I98.5Very high97.9Very high17 Ų1737.9 Ų37.99%0.08719%0.185CC..Hα-helixtrans-62.3-35.1178.2-68.6163.6000110.8Y173 V176 A177 H180 L185 A229 T230 S235 A293 A294Y173-I233 HydrophobicContact CE2-CD1 4.22Å; V176-I233 HydrophobicContact CG1-CB 4.24Å; V176-I233 HydrophobicContact CG1-CG2 3.74Å; A177-I233 HydrophobicContact CB-CD1 3.96Å; H180-I233 HydrophobicContact CB-CG2 3.68Å; L185-I233 HydrophobicContact CD2-CG2 3.61Å; A229-I233 WeakPolarHBondContact O-CD1 3.48Å; A229-I233 VanDerWaalsContact O-CG1 3.25Å; A229-I233 WeakPolarHBondContact O-CG1 3.31Å; A229-I233 PolarHBondContact O-N 2.9Å; T230-I233 PolarHBondContact O-N 3.42Å; I233-S235 PolarHBondContact O-N 3.49Å; I233-A293 HydrophobicContact CD1-CB 4.45Å; I233-A293 HydrophobicContact CG1-CB 4.01Å; I233-A294 HydrophobicContact CD1-CB 4.05Å; I233-A294 HydrophobicContact CG1-CB 4.32Å
234L98.2Very high97.9Very high4 Ų441 Ų412%0.02120%0.197CC..THydrogen-bonded Turntrans-80.81.2176-66.6167.6000114.2V176 L185 F191 R196 L199 L200 L203 T230 L231 R232 A236V176-L234 HydrophobicContact CG1-CD2 4.29Å; V176-L234 HydrophobicContact CG1-CG 4.18Å; L185-L234 HydrophobicContact CD1-CD2 4.13Å; L185-L234 HydrophobicContact CD2-CD2 4.21Å; F191-L234 HydrophobicContact CE1-CD2 4.42Å; R196-L234 PolarHBondContact NH2-O 3.4Å; L199-L234 HydrophobicContact CD2-CD1 3.68Å; L199-L234 HydrophobicContact CD2-CD2 4.47Å; L199-L234 HydrophobicContact CG-CD1 4.04Å; L200-L234 HydrophobicContact CD2-CB 4.05Å; L200-L234 HydrophobicContact CD2-CD1 3.9Å; L203-L234 HydrophobicContact CD1-CD1 3.59Å; T230-L234 HydrophobicContact CG2-CD1 4.03Å; T230-L234 WeakPolarHBondContact O-CG 3.48Å; T230-L234 PolarHBondContact O-N 3.43Å; L231-L234 CarbonylContact O-C 3.53Å; L231-L234 PolarHBondContact O-N 3.22Å; R232-L234 PolarHBondContact O-N 3.45Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A236 HydrophobicContact CB-CB 4.47Å
235S97.6Very high97.9Very high93 Ų9341 Ų4165%0.6520%0.196SC*.THydrogen-bonded Turntrans57.541.2-174.3-58.10000113.6L231 R232 I233L231-S235 PolarHBondContact O-N 3.11Å; R232-S235 PolarHBondContact O-N 3.36Å; I233-S235 PolarHBondContact O-N 3.49Å
236A97.8Very high97.8Very high10 Ų1044.4 Ų44.48%0.08321%0.214CC..  trans-133.319-17400000113.9L200 L231 L234 E238 L239L200-A236 HydrophobicContact CD2-CB 3.34Å; L231-A236 HydrophobicContact CD2-CB 4.23Å; L231-A236 PolarHBondContact O-N 2.83Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A236 HydrophobicContact CB-CB 4.47Å; A236-E238 PolarHBondContact O-N 2.84Å; A236-L239 HydrophobicContact CB-CD1 3.96Å; A236-L239 HydrophobicContact CB-CG 4.4Å; A236-L239 WeakPolarHBondContact O-CB 3.46Å; A236-L239 WeakPolarHBondContact O-CG 3.45Å; A236-L239 PolarHBondContact O-N 2.98Å
237H95.6Very high97.7Very high19 Ų1945.7 Ų45.79%0.08823%0.225CC..G310 helixtrans-67-14.9179.558.3-76.3000113.9L231 R232 L239 I240 L283 N284L231-H237 HydrophobicContact CB-CB 4.48Å; L231-H237 PolarHBondContact O-N 3.25Å; R232-H237 WeakPolarHBondContact CD-ND1 3.43Å; H237-L239 PolarHBondContact O-N 2.9Å; H237-I240 VanDerWaalsContact O-CG1 3.29Å; H237-I240 WeakPolarHBondContact O-CG1 3.4Å; H237-L283 HydrophobicContact CB-CD2 3.74Å; H237-N284 PolarHBondContact NE2-ND2 3.41Å
238E96.3Very high97.7Very high138 Ų13846.1 Ų46.165%0.64523%0.227SC*.G310 helixtrans-73.3-8.8173.3-60.3-65.2173.300113.4A236 I240A236-E238 PolarHBondContact O-N 2.84Å; E238-I240 VanDerWaalsContact C-N 3.29Å; E238-I240 PolarHBondContact O-N 3.29Å
239L97.3Very high97.7Very high97 Ų9746.3 Ų46.351%0.50823%0.23SC..G310 helixtrans-85.16.4-175.4-60.5-177.1000114.5V204 A236 H237V204-L239 HydrophobicContact CG2-CB 3.71Å; V204-L239 HydrophobicContact CG2-CD1 4.09Å; A236-L239 HydrophobicContact CB-CD1 3.96Å; A236-L239 HydrophobicContact CB-CG 4.4Å; A236-L239 WeakPolarHBondContact O-CB 3.46Å; A236-L239 WeakPolarHBondContact O-CG 3.45Å; A236-L239 PolarHBondContact O-N 2.98Å; H237-L239 PolarHBondContact O-N 2.9Å
240I97.2Very high97.6Very high14 Ų1448.7 Ų48.77%0.07225%0.254CS..SBendtrans-108.4154.1-175.761.7145.2000111.8F211 L231 H237 E238 R242 L245 L283F211-I240 HydrophobicContact CE1-CG2 4.08Å; F211-I240 HydrophobicContact CZ-CB 4.18Å; F211-I240 HydrophobicContact CZ-CD1 4.19Å; F211-I240 HydrophobicContact CZ-CG2 3.72Å; L231-I240 HydrophobicContact CD1-CG2 3.44Å; L231-I240 VanDerWaalsContact CD1-CG2 3.44Å; H237-I240 VanDerWaalsContact O-CG1 3.29Å; H237-I240 WeakPolarHBondContact O-CG1 3.4Å; E238-I240 VanDerWaalsContact C-N 3.29Å; E238-I240 PolarHBondContact O-N 3.29Å; I240-R242 HydrophobicContact CD1-CG 4.26Å; I240-R242 HydrophobicContact CG1-CG 4.22Å; I240-R242 PolarHBondContact O-N 3.19Å; I240-R242 VanDerWaalsContact O-N 3.15Å; I240-L245 HydrophobicContact CD1-CD2 4.38Å; I240-L283 HydrophobicContact CD1-CD1 3.69Å; I240-L283 HydrophobicContact CD1-CD2 3.76Å; I240-L283 HydrophobicContact CD1-CG 4.24Å; I240-L283 HydrophobicContact CG1-CD2 4.31Å
241D97.9Very high97.5Very high64 Ų6453.8 Ų53.834%0.34228%0.278SS..  trans-75.698.1170-174.3-21.5000109.2Q207 Q243 R244 L245Q207-D241 PolarHBondContact NE2-O 3.41Å; D241-Q243 PolarHBondContact OD1-N 3.47Å; D241-R244 HydrophobicContact CB-CB 4.07Å; D241-R244 VanDerWaalsContact CG-CB 3.48Å; D241-R244 PolarHBondContact OD1-N 3.42Å; D241-R244 VanDerWaalsContact OD1-N 3.17Å; D241-R244 IonicContact OD2-CZ 3.29Å; D241-R244 IonicContact OD2-NE 3.33Å; D241-R244 PolarHBondContact OD2-NE 3.07Å; D241-R244 IonicContact OD2-NH2 3.3Å; D241-R244 PolarHBondContact OD2-NH2 3.33Å; D241-L245 PolarHBondContact O-N 2.94Å
242R96.8Very high97.5Very high65 Ų6553.8 Ų53.825%0.24528%0.278CS..Hα-helixtrans-69.3-36.5-172.2-66.3172.267.791.7-9.6113I240 L246 L283 N284 Y285I240-R242 HydrophobicContact CD1-CG 4.26Å; I240-R242 HydrophobicContact CG1-CG 4.22Å; I240-R242 PolarHBondContact O-N 3.19Å; I240-R242 VanDerWaalsContact O-N 3.15Å; R242-L246 PolarHBondContact O-N 2.94Å; R242-L283 PolarHBondContact NH1-O 2.9Å; R242-N284 PolarHBondContact NH2-O 3.25Å; R242-Y285 VanDerWaalsContact C-OH 3.29Å; R242-Y285 WeakPolarHBondContact CA-OH 3.45Å; R242-Y285 HydrophobicContact CB-CE1 4.02Å; R242-Y285 WeakPolarHBondContact CB-OH 3.41Å; R242-Y285 WeakPolarHBondContact O-CE1 3.46Å; R242-Y285 PolarHBondContact O-OH 3.43Å
243Q97.4Very high97.4Very high111 Ų11155.2 Ų55.252%0.51929%0.288SS..Hα-helixtrans-67.4-43-178.2-177.457.448.900110.2D241 L245 L246 D247D241-Q243 PolarHBondContact OD1-N 3.47Å; Q243-L245 VanDerWaalsContact C-N 3.31Å; Q243-L245 PolarHBondContact O-N 2.87Å; Q243-L246 WeakPolarHBondContact O-CA 3.48Å; Q243-L246 WeakPolarHBondContact O-CB 3.45Å; Q243-L246 PolarHBondContact O-N 3.35Å; Q243-D247 PolarHBondContact NE2-OD1 2.71Å; Q243-D247 PolarHBondContact O-N 2.86Å
244R97.5Very high97.3Very high92 Ų9255.7 Ų55.735%0.34729%0.292SS..Hα-helixtrans-61.9-37.4-178.6-160-173-59.5-144.8-13.6113.9K208 E209 D241 L246 D247 F248K208-R244 WeakPolarHBondContact O-CD 3.13Å; K208-R244 PolarHBondContact O-NH1 3.29Å; E209-R244 CarbonylContact O-C 3.56Å; E209-R244 IonicContact OE1-NH1 3.83Å; E209-R244 WeakPolarHBondContact OE2-CD 3.36Å; E209-R244 WeakPolarHBondContact OE2-CG 3.4Å; D241-R244 HydrophobicContact CB-CB 4.07Å; D241-R244 VanDerWaalsContact CG-CB 3.48Å; D241-R244 PolarHBondContact OD1-N 3.42Å; D241-R244 VanDerWaalsContact OD1-N 3.17Å; D241-R244 IonicContact OD2-CZ 3.29Å; D241-R244 IonicContact OD2-NE 3.33Å; D241-R244 PolarHBondContact OD2-NE 3.07Å; D241-R244 IonicContact OD2-NH2 3.3Å; D241-R244 PolarHBondContact OD2-NH2 3.33Å; R244-L246 VanDerWaalsContact C-N 3.29Å; R244-L246 PolarHBondContact O-N 2.9Å; R244-D247 PolarHBondContact O-N 3.49Å; R244-F248 WeakPolarHBondContact O-CB 3.43Å; R244-F248 PolarHBondContact O-N 3.07Å
245L98Very high96.9Very high0 Ų060.8 Ų60.80%033%0.328CS..Hα-helixtrans-65.6-33.3174-177.866000112.2F211 A224 I240 D241 Q243 G249 F276 L280 L283 Y285F211-L245 HydrophobicContact CD2-CD1 3.92Å; F211-L245 HydrophobicContact CE2-CD1 3.91Å; F211-L245 HydrophobicContact CE2-CD2 3.95Å; F211-L245 HydrophobicContact CE2-CG 4.45Å; A224-L245 HydrophobicContact CB-CD1 4.09Å; I240-L245 HydrophobicContact CD1-CD2 4.38Å; D241-L245 PolarHBondContact O-N 2.94Å; Q243-L245 VanDerWaalsContact C-N 3.31Å; Q243-L245 PolarHBondContact O-N 2.87Å; L245-G249 PolarHBondContact O-N 3.39Å; L245-F276 HydrophobicContact CD1-CE2 4.18Å; L245-L280 HydrophobicContact CD2-CD2 4Å; L245-L280 HydrophobicContact CG-CD2 4.33Å; L245-L283 HydrophobicContact CD2-CD1 3.48Å; L245-L283 VanDerWaalsContact CD2-CD1 3.48Å; L245-Y285 WeakPolarHBondContact CB-OH 3.29Å; L245-Y285 HydrophobicContact CD2-CE2 3.99Å; L245-Y285 WeakPolarHBondContact CD2-OH 3.33Å
246L97.3Very high96.6Very high72 Ų7262.9 Ų62.938%0.37733%0.332SS..Hα-helixtrans-69.2-42.1173.5-66.7175.6000111.2R242 Q243 R244 G249 G250 L280 Y285R242-L246 PolarHBondContact O-N 2.94Å; Q243-L246 WeakPolarHBondContact O-CA 3.48Å; Q243-L246 WeakPolarHBondContact O-CB 3.45Å; Q243-L246 PolarHBondContact O-N 3.35Å; R244-L246 VanDerWaalsContact C-N 3.29Å; R244-L246 PolarHBondContact O-N 2.9Å; L246-G249 WeakPolarHBondContact O-CA 3.23Å; L246-G249 PolarHBondContact O-N 3.15Å; L246-G249 VanDerWaalsContact O-N 3.09Å; L246-G250 PolarHBondContact O-N 3.29Å; L246-L280 HydrophobicContact CD2-CD2 4.26Å; L246-Y285 HydrophobicContact CD1-CD1 4.12Å; L246-Y285 HydrophobicContact CD1-CE1 3.78Å; L246-Y285 HydrophobicContact CD2-CD1 3.76Å; L246-Y285 HydrophobicContact CD2-CE1 3.62Å; L246-Y285 HydrophobicContact CG-CD1 4.08Å; L246-Y285 HydrophobicContact CG-CE1 3.52Å
247D98Very high96.1Very high84 Ų8470.2 Ų70.245%0.44937%0.365SS..Hα-helixtrans-60.4-48177.1-60.5-21.4000110.2Q243 R244 G249 G250 E251Q243-D247 PolarHBondContact NE2-OD1 2.71Å; Q243-D247 PolarHBondContact O-N 2.86Å; R244-D247 PolarHBondContact O-N 3.49Å; D247-G249 VanDerWaalsContact C-N 3.27Å; D247-G249 PolarHBondContact O-N 3.02Å; D247-G250 WeakPolarHBondContact O-CA 3.38Å; D247-G250 PolarHBondContact O-N 3.2Å; D247-E251 PolarHBondContact O-N 3.37Å
248F98Very high96.1Very high8 Ų871 Ų714%0.03538%0.378CS..Hα-helixtrans-58.1-39172.1-180-105.7000112.5E209 G210 D219 R244 G250 E251 V252 P264 F276E209-F248 HydrophobicContact CB-CB 4.22Å; E209-F248 HydrophobicContact CB-CD2 4.02Å; E209-F248 HydrophobicContact CB-CG 4.43Å; G210-F248 VanDerWaalsContact CA-CD1 3.48Å; D219-F248 HydrophobicContact CB-CE2 4.09Å; D219-F248 HydrophobicContact CB-CZ 4.02Å; R244-F248 WeakPolarHBondContact O-CB 3.43Å; R244-F248 PolarHBondContact O-N 3.07Å; F248-G250 VanDerWaalsContact C-N 3.27Å; F248-G250 PolarHBondContact O-N 3.26Å; F248-E251 WeakPolarHBondContact O-CB 3.45Å; F248-E251 PolarHBondContact O-N 3.04Å; F248-V252 HydrophobicContact CD1-CG2 4.43Å; F248-V252 HydrophobicContact CE1-CG1 3.92Å; F248-V252 HydrophobicContact CE1-CG2 4.28Å; F248-V252 HydrophobicContact CE2-CG1 3.92Å; F248-V252 HydrophobicContact CZ-CG1 3.59Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 3.04Å; F248-V252 VanDerWaalsContact O-N 3.09Å; F248-P264 HydrophobicContact CE2-CG 4.44Å; F248-F276 HydrophobicContact CD1-CE2 4.26Å
249G97.5Very high96.1Very high5 Ų565.4 Ų65.45%0.05236%0.358CS..Hα-helixtrans-56.8-39.7172.600000113.3L245 L246 D247 E251 V252 Q253L245-G249 PolarHBondContact O-N 3.39Å; L246-G249 WeakPolarHBondContact O-CA 3.23Å; L246-G249 PolarHBondContact O-N 3.15Å; L246-G249 VanDerWaalsContact O-N 3.09Å; D247-G249 VanDerWaalsContact C-N 3.27Å; D247-G249 PolarHBondContact O-N 3.02Å; G249-E251 VanDerWaalsContact C-N 3.31Å; G249-E251 PolarHBondContact O-N 3.37Å; G249-V252 PolarHBondContact O-N 3.26Å; G249-Q253 VanDerWaalsContact O-CB 3.3Å; G249-Q253 WeakPolarHBondContact O-CB 3.37Å; G249-Q253 PolarHBondContact O-N 3.33Å
250G97.2Very high96.1Very high50 Ų5062 Ų6252%0.51534%0.339SS..Hα-helixtrans-64.6-32.5173.900000113.4L246 D247 F248L246-G250 PolarHBondContact O-N 3.29Å; D247-G250 WeakPolarHBondContact O-CA 3.38Å; D247-G250 PolarHBondContact O-N 3.2Å; F248-G250 VanDerWaalsContact C-N 3.27Å; F248-G250 PolarHBondContact O-N 3.26Å
251E97.1Very high96.2Very high106 Ų10661.5 Ų61.550%0.49534%0.337SS..Hα-helixtrans-76-33.9178.4-60.4-178.5-179.300113.4D247 F248 G249 P264D247-E251 PolarHBondContact O-N 3.37Å; F248-E251 WeakPolarHBondContact O-CB 3.45Å; F248-E251 PolarHBondContact O-N 3.04Å; G249-E251 VanDerWaalsContact C-N 3.31Å; G249-E251 PolarHBondContact O-N 3.37Å; E251-P264 HydrophobicContact CB-CB 4.12Å; E251-P264 HydrophobicContact CB-CG 3.75Å
252V97.7Very high96.1Very high1 Ų163.7 Ų63.71%0.00634%0.34CS..Hα-helixtrans-92.8-6179.8-63.10000113.7F248 G249 F260 S261 P264F248-V252 HydrophobicContact CD1-CG2 4.43Å; F248-V252 HydrophobicContact CE1-CG1 3.92Å; F248-V252 HydrophobicContact CE1-CG2 4.28Å; F248-V252 HydrophobicContact CE2-CG1 3.92Å; F248-V252 HydrophobicContact CZ-CG1 3.59Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 3.04Å; F248-V252 VanDerWaalsContact O-N 3.09Å; G249-V252 PolarHBondContact O-N 3.26Å; V252-F260 HydrophobicContact CG2-CD1 3.95Å; V252-F260 CarbonylContact O-C 3.35Å; V252-F260 WeakPolarHBondContact O-CA 3.38Å; V252-S261 PolarHBondContact O-N 3.5Å; V252-S261 PolarHBondContact O-OG 3.42Å; V252-S261 VanDerWaalsContact O-OG 3.12Å; V252-P264 HydrophobicContact CG1-CG 4.12Å
253Q97.5Very high96.1Very high109 Ų10964.4 Ų64.451%0.50935%0.346SS..BIsolated β-bridgetrans-76.6129177-170174.312.400111.1G249 S255 F260G249-Q253 VanDerWaalsContact O-CB 3.3Å; G249-Q253 WeakPolarHBondContact O-CB 3.37Å; G249-Q253 PolarHBondContact O-N 3.33Å; Q253-S255 PolarHBondContact O-N 3.43Å; Q253-F260 HydrophobicContact CB-CD1 3.9Å; Q253-F260 HydrophobicContact CB-CE1 3.69Å; Q253-F260 HydrophobicContact CB-CZ 4.5Å; Q253-F260 HydrophobicContact CG-CD1 4.3Å; Q253-F260 HydrophobicContact CG-CE1 3.91Å; Q253-F260 HydrophobicContact CG-CZ 4.23Å
254C95.5Very high96Very high27 Ų2762.3 Ų62.318%0.18234%0.342CS..  trans-81.9108174-1730000110.6N256 G258 G259 P268C254-N256 VanDerWaalsContact C-N 3.32Å; C254-N256 PolarHBondContact O-N 2.93Å; C254-G258 WeakPolarHBondContact CB-O 3.47Å; C254-G258 VanDerWaalsContact O-CA 3.26Å; C254-G258 WeakPolarHBondContact O-CA 3.29Å; C254-G258 PolarHBondContact O-N 3.22Å; C254-G259 PolarHBondContact N-O 2.84Å; C254-P268 HydrophobicContact CB-CB 4.04Å; C254-P268 HydrophobicContact CB-CG 3.66Å
255S90.5Very high95.7Very high111 Ų11162 Ų6278%0.77637%0.367SS*.THydrogen-bonded Turntrans-64.8-31.3-179.655.20000114.2Q253Q253-S255 PolarHBondContact O-N 3.43Å
256N89.9Confident95.6Very high137 Ų13763.9 Ų63.973%0.73338%0.383SS*.THydrogen-bonded Turntrans-83.9-34.5-172.8-68.5-23.2000113.9C254C254-N256 VanDerWaalsContact C-N 3.32Å; C254-N256 PolarHBondContact O-N 2.93Å
257H87.9Confident95.6Very high164 Ų16464.2 Ų64.276%0.75940%0.396SS*.THydrogen-bonded Turntrans-123.2-5.3-172.4-54103.6000113.4
258G94.5Very high95.5Very high36 Ų3662.3 Ų62.337%0.37139%0.388SS..  trans74.2177.4-168.800000112.9C254C254-G258 WeakPolarHBondContact CB-O 3.47Å; C254-G258 VanDerWaalsContact O-CA 3.26Å; C254-G258 WeakPolarHBondContact O-CA 3.29Å; C254-G258 PolarHBondContact O-N 3.22Å
259G97.2Very high95.5Very high21 Ų2165 Ų6522%0.21640%0.403CS..SBendtrans81175.6-175.800000113.9C254 T273C254-G259 PolarHBondContact N-O 2.84Å; G259-T273 WeakPolarHBondContact CA-OG1 3.22Å
260F98.1Very high95.5Very high25 Ų2569.9 Ų69.911%0.1143%0.428CS..BIsolated β-bridgetrans-121.6139.8-179.7-60.7-92.4000110.1V252 Q253 P268 D269 H272 T273 F276 I277V252-F260 HydrophobicContact CG2-CD1 3.95Å; V252-F260 CarbonylContact O-C 3.35Å; V252-F260 WeakPolarHBondContact O-CA 3.38Å; Q253-F260 HydrophobicContact CB-CD1 3.9Å; Q253-F260 HydrophobicContact CB-CE1 3.69Å; Q253-F260 HydrophobicContact CB-CZ 4.5Å; Q253-F260 HydrophobicContact CG-CD1 4.3Å; Q253-F260 HydrophobicContact CG-CE1 3.91Å; Q253-F260 HydrophobicContact CG-CZ 4.23Å; F260-P268 WeakPolarHBondContact O-CA 3.29Å; F260-D269 PolarHBondContact O-N 2.99Å; F260-H272 WeakPolarHBondContact O-CB 3.46Å; F260-T273 HydrophobicContact CD2-CG2 4.36Å; F260-T273 PolarHBondContact N-OG1 2.78Å; F260-T273 PolarHBondContact O-N 3.37Å; F260-T273 PolarHBondContact O-OG1 3.28Å; F260-F276 HydrophobicContact CB-CB 4.11Å; F260-F276 HydrophobicContact CB-CG 4.46Å; F260-F276 HydrophobicContact CD1-CB 4.48Å; F260-F276 AromaticContact CD1-CD1 3.45Å; F260-F276 HydrophobicContact CD1-CD1 3.45Å; F260-F276 VanDerWaalsContact CD1-CD1 3.45Å; F260-F276 AromaticContact CD1-CE1 3.89Å; F260-F276 HydrophobicContact CD1-CE1 3.89Å; F260-F276 HydrophobicContact CD1-CG 4.04Å; F260-F276 HydrophobicContact CD2-CB 4.26Å; F260-F276 HydrophobicContact CD2-CD1 4.01Å; F260-F276 AromaticContact CE1-CD1 3.41Å; F260-F276 HydrophobicContact CE1-CD1 3.41Å; F260-F276 VanDerWaalsContact CE1-CD1 3.41Å; F260-F276 AromaticContact CE1-CE1 3.53Å; F260-F276 HydrophobicContact CE1-CE1 3.53Å; F260-F276 HydrophobicContact CE1-CG 4.42Å; F260-F276 AromaticContact CE2-CD1 3.99Å; F260-F276 HydrophobicContact CE2-CD1 3.99Å; F260-F276 HydrophobicContact CG-CB 4.03Å; F260-F276 AromaticContact CG-CD1 3.75Å; F260-F276 HydrophobicContact CG-CD1 3.75Å; F260-F276 HydrophobicContact CG-CG 4.09Å; F260-F276 AromaticContact CZ-CD1 3.7Å; F260-F276 HydrophobicContact CZ-CD1 3.7Å; F260-F276 HydrophobicContact CZ-CE1 4.01Å; F260-I277 HydrophobicContact CD2-CG2 4.1Å; F260-I277 HydrophobicContact CE2-CG2 3.54Å; F260-I277 HydrophobicContact CZ-CG2 4.38Å
261S97.6Very high95.6Very high4 Ų470.5 Ų70.53%0.02842%0.418CS..BIsolated β-bridgetrans-90.8170.917365.80000111S221 V252 E263 A266 A267S221-S261 VanDerWaalsContact CB-O 3.25Å; S221-S261 WeakPolarHBondContact CB-O 3.48Å; S221-S261 PolarHBondContact OG-O 3.4Å; V252-S261 PolarHBondContact O-N 3.5Å; V252-S261 PolarHBondContact O-OG 3.42Å; V252-S261 VanDerWaalsContact O-OG 3.12Å; S261-E263 PolarHBondContact OG-O 3.21Å; S261-A266 WeakPolarHBondContact CB-O 3.38Å; S261-A267 WeakPolarHBondContact CB-O 3.29Å
262R97.3Very high95.6Very high110 Ų11066.4 Ų66.442%0.41540%0.399SS..SBendtrans-61.2-49.4171.6179.4169.8176.2-116.3-19.4112.6D220 S221 H272D220-R262 WeakPolarHBondContact CA-O 3.5Å; D220-R262 HydrophobicContact CB-CG 4.06Å; D220-R262 VanDerWaalsContact CG-CG 3.44Å; D220-R262 WeakPolarHBondContact OD2-CD 3.47Å; D220-R262 WeakPolarHBondContact OD2-CG 3.44Å; D220-R262 IonicContact OD2-CZ 3.23Å; D220-R262 IonicContact OD2-NE 3.16Å; D220-R262 PolarHBondContact OD2-NE 3.2Å; S221-R262 PolarHBondContact N-O 3.11Å; R262-H272 VanDerWaalsContact CA-CD2 3.48Å; R262-H272 WeakPolarHBondContact CA-CD2 3.21Å
263E96.3Very high95.7Very high80 Ų8068.1 Ų68.137%0.37441%0.41SS..SBendtrans-141.4157.7-171.763.8-167.1-165.700109.8S261 G265 A266S261-E263 PolarHBondContact OG-O 3.21Å; E263-G265 PolarHBondContact O-N 3.06Å; E263-A266 HydrophobicContact CG-CB 3.85Å; E263-A266 WeakPolarHBondContact O-CB 3.5Å; E263-A266 PolarHBondContact O-N 3.45Å; E263-A266 VanDerWaalsContact O-N 3.13Å
264P94.9Very high95.7Very high67 Ų6763 Ų6344%0.43539%0.386SS..THydrogen-bonded Turntrans-56.1133-178.3-27.236.3000112.2F248 E251 V252 A266F248-P264 HydrophobicContact CE2-CG 4.44Å; E251-P264 HydrophobicContact CB-CB 4.12Å; E251-P264 HydrophobicContact CB-CG 3.75Å; V252-P264 HydrophobicContact CG1-CG 4.12Å; P264-A266 VanDerWaalsContact C-N 3.29Å; P264-A266 PolarHBondContact O-N 3.42Å
265G92.4Very high95.9Very high85 Ų8561.8 Ų61.888%0.87638%0.377SS*.THydrogen-bonded Turntrans81.8-8.2-179.200000116E263E263-G265 PolarHBondContact O-N 3.06Å
266A95.4Very high96.2Very high39 Ų3956.6 Ų56.632%0.32234%0.341SS..SBendtrans-77.2163.3171.600000112.3S261 E263 P264S261-A266 WeakPolarHBondContact CB-O 3.38Å; E263-A266 HydrophobicContact CG-CB 3.85Å; E263-A266 WeakPolarHBondContact O-CB 3.5Å; E263-A266 PolarHBondContact O-N 3.45Å; E263-A266 VanDerWaalsContact O-N 3.13Å; P264-A266 VanDerWaalsContact C-N 3.29Å; P264-A266 PolarHBondContact O-N 3.42Å
267A96.2Very high96.6Very high80 Ų8050.9 Ų50.966%0.66131%0.31SS*.PPolyproline II helixtrans-71.8144.217500000111.4S261S261-A267 WeakPolarHBondContact CB-O 3.29Å
268P97.1Very high97.1Very high43 Ų4343 Ų4328%0.27927%0.274SS..BIsolated β-bridgetrans-71.9151.3174.632.5-36.5000111.3C254 F260C254-P268 HydrophobicContact CB-CB 4.04Å; C254-P268 HydrophobicContact CB-CG 3.66Å; F260-P268 WeakPolarHBondContact O-CA 3.29Å
269D97.8Very high97.3Very high65 Ų6541.3 Ų41.335%0.34826%0.256SS..  trans-141.4168.1171.668.363.6000112F260 L271 H272 T273F260-D269 PolarHBondContact O-N 2.99Å; D269-L271 VanDerWaalsContact C-N 3.29Å; D269-L271 PolarHBondContact O-N 3.1Å; D269-L271 WeakPolarHBondContact OD1-CA 3.28Å; D269-L271 WeakPolarHBondContact OD1-CB 3.23Å; D269-L271 PolarHBondContact OD1-N 2.92Å; D269-H272 IonicContact OD1-CG 3.92Å; D269-H272 PolarHBondContact OD1-N 2.84Å; D269-H272 IonicContact OD1-ND1 2.83Å; D269-H272 PolarHBondContact OD1-ND1 3.44Å; D269-H272 IonicContact OD2-CE1 3.72Å; D269-H272 PolarHBondContact OD2-CE1 3.25Å; D269-H272 IonicContact OD2-CG 3.43Å; D269-H272 IonicContact OD2-ND1 4Å; D269-H272 PolarHBondContact OD2-ND1 3.01Å; D269-T273 WeakPolarHBondContact O-CB 3.31Å; D269-T273 PolarHBondContact O-N 3.29Å; D269-T273 PolarHBondContact O-OG1 3.09Å
270L97.6Very high97.3Very high108 Ų10841.2 Ų41.257%0.56525%0.251SS*.Hα-helixtrans-63.6-33.2-175.2-62.9179.1000113.2F3 V4 Y274F3-L270 HydrophobicContact CB-CB 4.46Å; V4-L270 HydrophobicContact CG2-CD1 3.92Å; V4-L270 HydrophobicContact CG2-CD2 3.92Å; V4-L270 HydrophobicContact CG2-CG 4.48Å; L270-Y274 VanDerWaalsContact O-CB 3.24Å; L270-Y274 WeakPolarHBondContact O-CB 3.15Å; L270-Y274 PolarHBondContact O-N 3.26Å; L270-Y274 VanDerWaalsContact O-N 3.15Å
271L98.2Very high97.4Very high62 Ų6240 Ų4033%0.32525%0.246SC..Hα-helixtrans-73.4-51.9-177.2176.3154000110F3 C222 D269 Y274 L275F3-L271 HydrophobicContact CD2-CB 4.13Å; F3-L271 HydrophobicContact CE2-CB 3.79Å; F3-L271 HydrophobicContact CE2-CD1 4.01Å; F3-L271 HydrophobicContact CE2-CG 4Å; F3-L271 HydrophobicContact CZ-CB 4.45Å; F3-L271 HydrophobicContact CZ-CD1 4.18Å; F3-L271 HydrophobicContact CZ-CG 4.19Å; C222-L271 HydrophobicContact CB-CD2 4.03Å; D269-L271 VanDerWaalsContact C-N 3.29Å; D269-L271 PolarHBondContact O-N 3.1Å; D269-L271 WeakPolarHBondContact OD1-CA 3.28Å; D269-L271 WeakPolarHBondContact OD1-CB 3.23Å; D269-L271 PolarHBondContact OD1-N 2.92Å; L271-Y274 PolarHBondContact O-N 3.41Å; L271-L275 HydrophobicContact CD2-CD1 3.65Å; L271-L275 HydrophobicContact CG-CD1 3.84Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 VanDerWaalsContact O-CG 3.32Å; L271-L275 WeakPolarHBondContact O-CG 3.45Å; L271-L275 PolarHBondContact O-N 3.09Å
272H98.5Very high97.4Very high20 Ų2039.9 Ų39.99%0.09324%0.244CC..Hα-helixtrans-68.9-38.5-179-67.193.2000111.3D220 S221 F260 R262 D269 Y274 L275 F276D220-H272 IonicContact OD1-CD2 3.68Å; D220-H272 PolarHBondContact OD1-CD2 2.94Å; D220-H272 IonicContact OD1-NE2 3.15Å; D220-H272 PolarHBondContact OD1-NE2 3.49Å; D220-H272 IonicContact OD2-NE2 4Å; S221-H272 PolarHBondContact OG-CD2 3.37Å; F260-H272 WeakPolarHBondContact O-CB 3.46Å; R262-H272 VanDerWaalsContact CA-CD2 3.48Å; R262-H272 WeakPolarHBondContact CA-CD2 3.21Å; D269-H272 IonicContact OD1-CG 3.92Å; D269-H272 PolarHBondContact OD1-N 2.84Å; D269-H272 IonicContact OD1-ND1 2.83Å; D269-H272 PolarHBondContact OD1-ND1 3.44Å; D269-H272 IonicContact OD2-CE1 3.72Å; D269-H272 PolarHBondContact OD2-CE1 3.25Å; D269-H272 IonicContact OD2-CG 3.43Å; D269-H272 IonicContact OD2-ND1 4Å; D269-H272 PolarHBondContact OD2-ND1 3.01Å; H272-Y274 PolarHBondContact O-N 3.08Å; H272-L275 PolarHBondContact O-N 3.3Å; H272-F276 WeakPolarHBondContact O-CB 3.19Å; H272-F276 PolarHBondContact O-N 3.47Å
273T98.3Very high97.4Very high37 Ų3734.6 Ų34.623%0.22722%0.224CC..Hα-helixtrans-55.2-52.5172.7-62.20000111.3G259 F260 D269 I277G259-T273 WeakPolarHBondContact CA-OG1 3.22Å; F260-T273 HydrophobicContact CD2-CG2 4.36Å; F260-T273 PolarHBondContact N-OG1 2.78Å; F260-T273 PolarHBondContact O-N 3.37Å; F260-T273 PolarHBondContact O-OG1 3.28Å; D269-T273 WeakPolarHBondContact O-CB 3.31Å; D269-T273 PolarHBondContact O-N 3.29Å; D269-T273 PolarHBondContact O-OG1 3.09Å; T273-I277 WeakPolarHBondContact O-CG1 3.33Å; T273-I277 PolarHBondContact O-N 2.98Å
274Y98.6Very high97.4Very high2 Ų233.7 Ų33.71%0.00822%0.222CC..Hα-helixtrans-67.9-48-179167.8-109.2000112.7Y2 F3 S6 I10 L270 L271 H272 F276 I277 A278 N296Y2-Y274 HydrophobicContact CE1-CE1 4.02Å; Y2-Y274 PolarHBondContact OH-OH 3.35Å; Y2-Y274 VanDerWaalsContact OH-OH 3.09Å; F3-Y274 HydrophobicContact CB-CD1 4.25Å; F3-Y274 HydrophobicContact CB-CG 4.09Å; F3-Y274 AromaticContact CD1-CD1 3.18Å; F3-Y274 HydrophobicContact CD1-CD1 3.18Å; F3-Y274 AromaticContact CD1-CE1 3.61Å; F3-Y274 HydrophobicContact CD1-CE1 3.61Å; F3-Y274 AromaticContact CD1-CG 3.89Å; F3-Y274 HydrophobicContact CD1-CG 3.89Å; F3-Y274 AromaticContact CE1-CD1 3.73Å; F3-Y274 HydrophobicContact CE1-CD1 3.73Å; F3-Y274 AromaticContact CE1-CE1 3.96Å; F3-Y274 HydrophobicContact CE1-CE1 3.96Å; F3-Y274 AromaticContact CG-CD1 3.98Å; F3-Y274 HydrophobicContact CG-CD1 3.98Å; F3-Y274 HydrophobicContact CG-CG 4.31Å; S6-Y274 WeakPolarHBondContact OG-CE2 3.49Å; S6-Y274 PolarHBondContact OG-OH 2.9Å; S6-Y274 VanDerWaalsContact OG-OH 3.11Å; I10-Y274 HydrophobicContact CD1-CD2 4.25Å; I10-Y274 HydrophobicContact CD1-CE2 3.82Å; L270-Y274 VanDerWaalsContact O-CB 3.24Å; L270-Y274 WeakPolarHBondContact O-CB 3.15Å; L270-Y274 PolarHBondContact O-N 3.26Å; L270-Y274 VanDerWaalsContact O-N 3.15Å; L271-Y274 PolarHBondContact O-N 3.41Å; H272-Y274 PolarHBondContact O-N 3.08Å; Y274-F276 VanDerWaalsContact C-N 3.32Å; Y274-F276 PolarHBondContact O-N 3.14Å; Y274-I277 WeakPolarHBondContact O-CG1 3.31Å; Y274-I277 PolarHBondContact O-N 3.48Å; Y274-A278 HydrophobicContact CD2-CB 4.46Å; Y274-A278 HydrophobicContact CE1-CB 4.5Å; Y274-A278 HydrophobicContact CE2-CB 4.04Å; Y274-A278 WeakPolarHBondContact O-CB 3.25Å; Y274-A278 PolarHBondContact O-N 3.49Å; Y274-N296 PolarHBondContact OH-ND2 2.97Å; Y274-N296 PolarHBondContact OH-O 3.15Å; Y274-N296 PolarHBondContact OH-OD1 2.82Å
275L98.6Very high97.5Very high1 Ų131.4 Ų31.41%0.00521%0.205CC..Hα-helixtrans-70.2-30.3-175.5-68.4179.7000111.9C222 F225 W226 L271 H272 G279C222-L275 HydrophobicContact CB-CB 3.96Å; C222-L275 HydrophobicContact CB-CD1 3.72Å; F225-L275 HydrophobicContact CB-CB 4.1Å; F225-L275 HydrophobicContact CB-CD2 4.09Å; F225-L275 WeakPolarHBondContact CB-O 3.14Å; F225-L275 HydrophobicContact CD1-CD2 3.68Å; F225-L275 HydrophobicContact CE1-CD2 4.37Å; F225-L275 HydrophobicContact CG-CD2 3.93Å; W226-L275 HydrophobicContact CZ2-CD1 3.61Å; W226-L275 HydrophobicContact CZ2-CD2 4.31Å; L271-L275 HydrophobicContact CD2-CD1 3.65Å; L271-L275 HydrophobicContact CG-CD1 3.84Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 VanDerWaalsContact O-CG 3.32Å; L271-L275 WeakPolarHBondContact O-CG 3.45Å; L271-L275 PolarHBondContact O-N 3.09Å; H272-L275 PolarHBondContact O-N 3.3Å; L275-G279 PolarHBondContact O-N 3.21Å
276F98.4Very high97.5Very high3 Ų333.9 Ų33.91%0.01320%0.198CC..Hα-helixtrans-64.6-52.1173.1-169.6-100.9000111.2A224 L245 F248 F260 H272 Y274 A278 G279 L280A224-F276 HydrophobicContact CB-CD2 3.74Å; A224-F276 HydrophobicContact CB-CE2 4.02Å; L245-F276 HydrophobicContact CD1-CE2 4.18Å; F248-F276 HydrophobicContact CD1-CE2 4.26Å; F260-F276 HydrophobicContact CB-CB 4.11Å; F260-F276 HydrophobicContact CB-CG 4.46Å; F260-F276 HydrophobicContact CD1-CB 4.48Å; F260-F276 AromaticContact CD1-CD1 3.45Å; F260-F276 HydrophobicContact CD1-CD1 3.45Å; F260-F276 VanDerWaalsContact CD1-CD1 3.45Å; F260-F276 AromaticContact CD1-CE1 3.89Å; F260-F276 HydrophobicContact CD1-CE1 3.89Å; F260-F276 HydrophobicContact CD1-CG 4.04Å; F260-F276 HydrophobicContact CD2-CB 4.26Å; F260-F276 HydrophobicContact CD2-CD1 4.01Å; F260-F276 AromaticContact CE1-CD1 3.41Å; F260-F276 HydrophobicContact CE1-CD1 3.41Å; F260-F276 VanDerWaalsContact CE1-CD1 3.41Å; F260-F276 AromaticContact CE1-CE1 3.53Å; F260-F276 HydrophobicContact CE1-CE1 3.53Å; F260-F276 HydrophobicContact CE1-CG 4.42Å; F260-F276 AromaticContact CE2-CD1 3.99Å; F260-F276 HydrophobicContact CE2-CD1 3.99Å; F260-F276 HydrophobicContact CG-CB 4.03Å; F260-F276 AromaticContact CG-CD1 3.75Å; F260-F276 HydrophobicContact CG-CD1 3.75Å; F260-F276 HydrophobicContact CG-CG 4.09Å; F260-F276 AromaticContact CZ-CD1 3.7Å; F260-F276 HydrophobicContact CZ-CD1 3.7Å; F260-F276 HydrophobicContact CZ-CE1 4.01Å; H272-F276 WeakPolarHBondContact O-CB 3.19Å; H272-F276 PolarHBondContact O-N 3.47Å; Y274-F276 VanDerWaalsContact C-N 3.32Å; Y274-F276 PolarHBondContact O-N 3.14Å; F276-A278 PolarHBondContact O-N 3.37Å; F276-G279 WeakPolarHBondContact O-CA 3.22Å; F276-G279 PolarHBondContact O-N 3.14Å; F276-G279 VanDerWaalsContact O-N 3.1Å; F276-L280 HydrophobicContact CD1-CD1 4.3Å; F276-L280 HydrophobicContact CE1-CD1 3.85Å; F276-L280 HydrophobicContact CE1-CD2 4.47Å; F276-L280 HydrophobicContact CE1-CG 4.24Å; F276-L280 HydrophobicContact CZ-CD2 4.38Å; F276-L280 PolarHBondContact O-N 2.88Å; F276-L280 VanDerWaalsContact O-N 3.09Å
277I97.9Very high97.3Very high16 Ų1640.3 Ų40.38%0.08223%0.227CC..Hα-helixtrans-65.3-38.5179.366.1-179.7000112.5I10 F260 T273 Y274 G279 L280 C281 M288I10-I277 HydrophobicContact CB-CD1 4.44Å; I10-I277 HydrophobicContact CD1-CD1 4.34Å; I10-I277 HydrophobicContact CD1-CG1 4.09Å; I10-I277 HydrophobicContact CG2-CD1 4.22Å; I10-I277 HydrophobicContact CG2-CG1 4.37Å; F260-I277 HydrophobicContact CD2-CG2 4.1Å; F260-I277 HydrophobicContact CE2-CG2 3.54Å; F260-I277 HydrophobicContact CZ-CG2 4.38Å; T273-I277 WeakPolarHBondContact O-CG1 3.33Å; T273-I277 PolarHBondContact O-N 2.98Å; Y274-I277 WeakPolarHBondContact O-CG1 3.31Å; Y274-I277 PolarHBondContact O-N 3.48Å; I277-G279 VanDerWaalsContact C-N 3.26Å; I277-G279 PolarHBondContact O-N 3.29Å; I277-L280 PolarHBondContact O-N 3.44Å; I277-C281 PolarHBondContact O-N 3.41Å; I277-M288 HydrophobicContact CB-CE 4.35Å; I277-M288 VanDerWaalsContact O-CE 3.29Å; I277-M288 WeakPolarHBondContact O-CE 3.49Å
278A98.6Very high97.3Very high0 Ų039.1 Ų39.10%021%0.209CC..Hα-helixtrans-65.1-32.8174.800000111.3I10 F225 Y274 F276 C281 A282 F291I10-A278 HydrophobicContact CD1-CB 3.91Å; F225-A278 HydrophobicContact CD2-CB 3.84Å; F225-A278 HydrophobicContact CE2-CB 4.4Å; F225-A278 HydrophobicContact CG-CB 4.48Å; Y274-A278 HydrophobicContact CD2-CB 4.46Å; Y274-A278 HydrophobicContact CE1-CB 4.5Å; Y274-A278 HydrophobicContact CE2-CB 4.04Å; Y274-A278 WeakPolarHBondContact O-CB 3.25Å; Y274-A278 PolarHBondContact O-N 3.49Å; F276-A278 PolarHBondContact O-N 3.37Å; A278-C281 WeakPolarHBondContact O-CB 3.4Å; A278-C281 PolarHBondContact O-N 3.4Å; A278-A282 WeakPolarHBondContact O-CB 3.29Å; A278-A282 PolarHBondContact O-N 3.15Å; A278-F291 HydrophobicContact CB-CE1 4.49Å; A278-F291 HydrophobicContact CB-CE2 4.48Å; A278-F291 HydrophobicContact CB-CZ 3.97Å
279G98.4Very high97.2Very high0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-63.1-46.1172.100000112.8A224 L275 F276 I277 C281 A282 L283A224-G279 WeakPolarHBondContact O-CA 3.14Å; L275-G279 PolarHBondContact O-N 3.21Å; F276-G279 WeakPolarHBondContact O-CA 3.22Å; F276-G279 PolarHBondContact O-N 3.14Å; F276-G279 VanDerWaalsContact O-N 3.1Å; I277-G279 VanDerWaalsContact C-N 3.26Å; I277-G279 PolarHBondContact O-N 3.29Å; G279-C281 VanDerWaalsContact C-N 3.33Å; G279-C281 PolarHBondContact O-N 3.13Å; G279-A282 PolarHBondContact O-N 3.23Å; G279-L283 WeakPolarHBondContact O-CB 3.38Å; G279-L283 WeakPolarHBondContact O-CG 3.47Å; G279-L283 PolarHBondContact O-N 3Å
280L98.1Very high97.2Very high19 Ų1940.9 Ų40.910%0.09922%0.222CC..Hα-helixtrans-60.6-42.4174.2-60.4-177.7000111.7L245 L246 F276 I277 L283 N284 Y285 M288L245-L280 HydrophobicContact CD2-CD2 4Å; L245-L280 HydrophobicContact CG-CD2 4.33Å; L246-L280 HydrophobicContact CD2-CD2 4.26Å; F276-L280 HydrophobicContact CD1-CD1 4.3Å; F276-L280 HydrophobicContact CE1-CD1 3.85Å; F276-L280 HydrophobicContact CE1-CD2 4.47Å; F276-L280 HydrophobicContact CE1-CG 4.24Å; F276-L280 HydrophobicContact CZ-CD2 4.38Å; F276-L280 PolarHBondContact O-N 2.88Å; F276-L280 VanDerWaalsContact O-N 3.09Å; I277-L280 PolarHBondContact O-N 3.44Å; L280-L283 PolarHBondContact O-N 3.01Å; L280-N284 PolarHBondContact O-N 3.38Å; L280-Y285 HydrophobicContact CB-CD2 4.18Å; L280-Y285 HydrophobicContact CB-CG 4.37Å; L280-Y285 HydrophobicContact CD2-CD2 3.87Å; L280-Y285 HydrophobicContact CD2-CE2 3.85Å; L280-Y285 HydrophobicContact CD2-CG 4.18Å; L280-Y285 WeakPolarHBondContact O-CD2 3.47Å; L280-Y285 PolarHBondContact O-N 2.69Å; L280-M288 HydrophobicContact CB-CE 3.97Å; L280-M288 HydrophobicContact CB-CG 4.36Å
281C98.1Very high97.2Very high0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-58.1-50.6171.7-79.90000112.4I10 I277 A278 G279 L283 N284 M288 F291I10-C281 WeakPolarHBondContact CG2-SG 3.39Å; I277-C281 PolarHBondContact O-N 3.41Å; A278-C281 WeakPolarHBondContact O-CB 3.4Å; A278-C281 PolarHBondContact O-N 3.4Å; G279-C281 VanDerWaalsContact C-N 3.33Å; G279-C281 PolarHBondContact O-N 3.13Å; C281-L283 VanDerWaalsContact C-N 3.25Å; C281-L283 PolarHBondContact O-N 3.03Å; C281-N284 PolarHBondContact O-N 2.97Å; C281-M288 HydrophobicContact CB-CE 4.43Å; C281-M288 WeakPolarHBondContact SG-CE 3.45Å; C281-F291 HydrophobicContact CB-CB 3.71Å; C281-F291 HydrophobicContact CB-CD1 4.38Å; C281-F291 HydrophobicContact CB-CD2 3.64Å; C281-F291 HydrophobicContact CB-CE2 4.37Å; C281-F291 HydrophobicContact CB-CG 3.65Å
282A97.9Very high97.2Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-63.4-33.5-177.800000112F225 A229 R232 A278 G279 N284 F291 A293F225-A282 HydrophobicContact CD2-CB 4.44Å; A229-A282 HydrophobicContact CB-CB 3.92Å; R232-A282 WeakPolarHBondContact CB-O 3.18Å; R232-A282 WeakPolarHBondContact CD-O 3.35Å; R232-A282 WeakPolarHBondContact CG-O 3.24Å; A278-A282 WeakPolarHBondContact O-CB 3.29Å; A278-A282 PolarHBondContact O-N 3.15Å; G279-A282 PolarHBondContact O-N 3.23Å; A282-N284 PolarHBondContact O-N 3.44Å; A282-F291 HydrophobicContact CB-CD1 4.27Å; A282-A293 HydrophobicContact CB-CB 4.22Å
283L97.5Very high97.2Very high0 Ų033.8 Ų33.80%019%0.186CC..THydrogen-bonded Turntrans-81.36.4176.3-71.1165.9000113.6H237 I240 R242 L245 G279 L280 C281 Y285H237-L283 HydrophobicContact CB-CD2 3.74Å; I240-L283 HydrophobicContact CD1-CD1 3.69Å; I240-L283 HydrophobicContact CD1-CD2 3.76Å; I240-L283 HydrophobicContact CD1-CG 4.24Å; I240-L283 HydrophobicContact CG1-CD2 4.31Å; R242-L283 PolarHBondContact NH1-O 2.9Å; L245-L283 HydrophobicContact CD2-CD1 3.48Å; L245-L283 VanDerWaalsContact CD2-CD1 3.48Å; G279-L283 WeakPolarHBondContact O-CB 3.38Å; G279-L283 WeakPolarHBondContact O-CG 3.47Å; G279-L283 PolarHBondContact O-N 3Å; L280-L283 PolarHBondContact O-N 3.01Å; C281-L283 VanDerWaalsContact C-N 3.25Å; C281-L283 PolarHBondContact O-N 3.03Å; L283-Y285 HydrophobicContact CB-CD2 3.72Å; L283-Y285 HydrophobicContact CB-CE2 3.65Å; L283-Y285 HydrophobicContact CD1-CE2 4.03Å; L283-Y285 HydrophobicContact CG-CE2 4.49Å; L283-Y285 PolarHBondContact O-N 2.59Å
284N96Very high97.2Very high61 Ų6132.1 Ų32.133%0.32618%0.176SC..THydrogen-bonded Turntrans5448.8-177.7-61.7-32.9000112.7R232 H237 R242 L280 C281 A282R232-N284 PolarHBondContact NE-ND2 2.95Å; H237-N284 PolarHBondContact NE2-ND2 3.41Å; R242-N284 PolarHBondContact NH2-O 3.25Å; L280-N284 PolarHBondContact O-N 3.38Å; C281-N284 PolarHBondContact O-N 2.97Å; A282-N284 PolarHBondContact O-N 3.44Å
285Y96.9Very high97.2Very high19 Ų1932 Ų328%0.07518%0.175CC..  trans-66.6150.5169.1-83.8-99.6000112.2R242 L245 L246 L280 L283 M288R242-Y285 VanDerWaalsContact C-OH 3.29Å; R242-Y285 WeakPolarHBondContact CA-OH 3.45Å; R242-Y285 HydrophobicContact CB-CE1 4.02Å; R242-Y285 WeakPolarHBondContact CB-OH 3.41Å; R242-Y285 WeakPolarHBondContact O-CE1 3.46Å; R242-Y285 PolarHBondContact O-OH 3.43Å; L245-Y285 WeakPolarHBondContact CB-OH 3.29Å; L245-Y285 HydrophobicContact CD2-CE2 3.99Å; L245-Y285 WeakPolarHBondContact CD2-OH 3.33Å; L246-Y285 HydrophobicContact CD1-CD1 4.12Å; L246-Y285 HydrophobicContact CD1-CE1 3.78Å; L246-Y285 HydrophobicContact CD2-CD1 3.76Å; L246-Y285 HydrophobicContact CD2-CE1 3.62Å; L246-Y285 HydrophobicContact CG-CD1 4.08Å; L246-Y285 HydrophobicContact CG-CE1 3.52Å; L280-Y285 HydrophobicContact CB-CD2 4.18Å; L280-Y285 HydrophobicContact CB-CG 4.37Å; L280-Y285 HydrophobicContact CD2-CD2 3.87Å; L280-Y285 HydrophobicContact CD2-CE2 3.85Å; L280-Y285 HydrophobicContact CD2-CG 4.18Å; L280-Y285 WeakPolarHBondContact O-CD2 3.47Å; L280-Y285 PolarHBondContact O-N 2.69Å; L283-Y285 HydrophobicContact CB-CD2 3.72Å; L283-Y285 HydrophobicContact CB-CE2 3.65Å; L283-Y285 HydrophobicContact CD1-CE2 4.03Å; L283-Y285 HydrophobicContact CG-CE2 4.49Å; L283-Y285 PolarHBondContact O-N 2.59Å; Y285-M288 WeakPolarHBondContact O-CB 3.1Å; Y285-M288 PolarHBondContact O-N 2.92Å
286D93Very high97.2Very high137 Ų13732.2 Ų32.273%0.73318%0.176SC*.THydrogen-bonded Turntrans-59.3146.3179.8-63.2-31.7000110.9M288D286-M288 PolarHBondContact O-N 2.89Å; D286-M288 VanDerWaalsContact O-N 3.07Å
287N91.7Very high97.2Very high173 Ų17332.1 Ų32.193%0.92518%0.176SC*.THydrogen-bonded Turntrans61.57.1-178-50-55.5000115.7
288M95Very high97.2Very high56 Ų5631.6 Ų31.628%0.27617%0.174SC..PPolyproline II helixtrans-89.9146.4171.3-60.2-61-78.100110.6I10 I277 L280 C281 Y285 D286I10-M288 HydrophobicContact CG2-CE 3.93Å; I277-M288 HydrophobicContact CB-CE 4.35Å; I277-M288 VanDerWaalsContact O-CE 3.29Å; I277-M288 WeakPolarHBondContact O-CE 3.49Å; L280-M288 HydrophobicContact CB-CE 3.97Å; L280-M288 HydrophobicContact CB-CG 4.36Å; C281-M288 HydrophobicContact CB-CE 4.43Å; C281-M288 WeakPolarHBondContact SG-CE 3.45Å; Y285-M288 WeakPolarHBondContact O-CB 3.1Å; Y285-M288 PolarHBondContact O-N 2.92Å; D286-M288 PolarHBondContact O-N 2.89Å; D286-M288 VanDerWaalsContact O-N 3.07Å
289P96.7Very high97.2Very high46 Ų4634.4 Ų34.430%0.29919%0.187SC..PPolyproline II helixtrans-66153.1174.729.3-37000111.4I10 F291 T298I10-P289 HydrophobicContact CG2-CG 4.27Å; I10-P289 WeakPolarHBondContact O-CG 3.35Å; P289-F291 PolarHBondContact O-N 3.4Å; P289-T298 HydrophobicContact CG-CG2 4.37Å
290T97.1Very high97.1Very high98 Ų9837.4 Ų37.460%0.60121%0.208SC*.PPolyproline II helixtrans-58.6139.3169.656.90000110.8Q299T290-Q299 WeakPolarHBondContact O-CB 3.49Å; T290-Q299 PolarHBondContact O-N 3.06Å; T290-Q299 VanDerWaalsContact OG1-CB 3.3Å; T290-Q299 WeakPolarHBondContact OG1-CB 3.48Å
291F98Very high97Very high10 Ų1036.5 Ų36.54%0.04420%0.203CC..EExtended strand (participates in β ladder)trans-134.6133.9-166.6-160.1-96.1000112I10 F225 A278 C281 A282 P289 A293 N296 V297 T298I10-F291 HydrophobicContact CD1-CD2 4.44Å; I10-F291 HydrophobicContact CD1-CE2 3.72Å; I10-F291 HydrophobicContact CD1-CZ 4.43Å; I10-F291 HydrophobicContact CG1-CD2 4.29Å; I10-F291 HydrophobicContact CG1-CE2 3.87Å; F225-F291 AromaticContact CE2-CE1 3.89Å; F225-F291 HydrophobicContact CE2-CE1 3.89Å; A278-F291 HydrophobicContact CB-CE1 4.49Å; A278-F291 HydrophobicContact CB-CE2 4.48Å; A278-F291 HydrophobicContact CB-CZ 3.97Å; C281-F291 HydrophobicContact CB-CB 3.71Å; C281-F291 HydrophobicContact CB-CD1 4.38Å; C281-F291 HydrophobicContact CB-CD2 3.64Å; C281-F291 HydrophobicContact CB-CE2 4.37Å; C281-F291 HydrophobicContact CB-CG 3.65Å; A282-F291 HydrophobicContact CB-CD1 4.27Å; P289-F291 PolarHBondContact O-N 3.4Å; F291-A293 PolarHBondContact O-N 3.35Å; F291-N296 VanDerWaalsContact CZ-C 3.48Å; F291-N296 WeakPolarHBondContact CZ-OD1 3.26Å; F291-V297 WeakPolarHBondContact CD2-O 3.39Å; F291-T298 HydrophobicContact CD2-CG2 4.42Å
292N98.3Very high97Very high25 Ų2536.5 Ų36.513%0.13420%0.203CC..EExtended strand (participates in β ladder)trans-85.792.3172.5-170.3-46.1000108.7A294 L295 N296 V297 A302N292-A294 PolarHBondContact O-N 2.78Å; N292-A294 PolarHBondContact OD1-N 3.49Å; N292-L295 HydrophobicContact CB-CB 4.4Å; N292-L295 PolarHBondContact O-N 3.28Å; N292-L295 PolarHBondContact OD1-N 3.05Å; N292-N296 PolarHBondContact O-N 2.85Å; N292-V297 PolarHBondContact N-O 3.13Å; N292-A302 HydrophobicContact CB-CB 3.82Å
293A98.3Very high96.8Very high6 Ų640.9 Ų40.95%0.0523%0.227CC..THydrogen-bonded Turntrans-58.5-28.1-177.300000113.7Y173 A229 R232 I233 A282 F291Y173-A293 WeakPolarHBondContact CE2-O 3.41Å; Y173-A293 PolarHBondContact OH-O 3.4Å; Y173-A293 VanDerWaalsContact OH-O 3.06Å; A229-A293 HydrophobicContact CB-CB 4.06Å; R232-A293 HydrophobicContact CB-CB 4.09Å; R232-A293 HydrophobicContact CG-CB 3.88Å; I233-A293 HydrophobicContact CD1-CB 4.45Å; I233-A293 HydrophobicContact CG1-CB 4.01Å; A282-A293 HydrophobicContact CB-CB 4.22Å; F291-A293 PolarHBondContact O-N 3.35Å
294A98.4Very high96.6Very high2 Ų244.9 Ų44.92%0.01724%0.241CC..THydrogen-bonded Turntrans-83.1-26.9-179.100000113.6Y125 L181 I233 N292Y125-A294 VanDerWaalsContact CE2-O 3.29Å; Y125-A294 WeakPolarHBondContact CE2-O 3.34Å; Y125-A294 PolarHBondContact OH-O 2.8Å; Y125-A294 VanDerWaalsContact OH-O 3.13Å; L181-A294 HydrophobicContact CD2-CB 3.93Å; L181-A294 HydrophobicContact CG-CB 4.22Å; I233-A294 HydrophobicContact CD1-CB 4.05Å; I233-A294 HydrophobicContact CG1-CB 4.32Å; N292-A294 PolarHBondContact O-N 2.78Å; N292-A294 PolarHBondContact OD1-N 3.49Å
295L98.3Very high96.4Very high0 Ų042 Ų420%023%0.226CC..THydrogen-bonded Turntrans-100.9-3175.8-67.9179.2000113.4Y75 Y132 V133 L181 N292 V297 A302 L306Y75-L295 PolarHBondContact OH-O 3.12Å; Y132-L295 HydrophobicContact CD1-CD1 4.31Å; Y132-L295 HydrophobicContact CD1-CD2 3.9Å; Y132-L295 HydrophobicContact CE1-CD1 4.05Å; Y132-L295 HydrophobicContact CE1-CD2 4.33Å; Y132-L295 HydrophobicContact CE1-CG 4.48Å; V133-L295 HydrophobicContact CG1-CD1 4.24Å; V133-L295 HydrophobicContact CG1-CD2 3.86Å; L181-L295 HydrophobicContact CD1-CD2 4.08Å; L181-L295 HydrophobicContact CD2-CD2 3.92Å; L181-L295 HydrophobicContact CD2-CG 4.27Å; N292-L295 HydrophobicContact CB-CB 4.4Å; N292-L295 PolarHBondContact O-N 3.28Å; N292-L295 PolarHBondContact OD1-N 3.05Å; L295-V297 VanDerWaalsContact C-N 3.35Å; L295-V297 HydrophobicContact CB-CG2 4.01Å; L295-V297 PolarHBondContact O-N 2.77Å; L295-A302 HydrophobicContact CD1-CB 4.23Å; L295-L306 HydrophobicContact CD1-CD1 4.45Å
296N98.5Very high96.3Very high6 Ų641.7 Ų41.73%0.03223%0.226CC..THydrogen-bonded Turntrans51.448.7-178.2-165.420.1000113.6Y2 Y75 F225 Y274 F291 N292Y2-N296 WeakPolarHBondContact OH-CB 3.35Å; Y2-N296 VanDerWaalsContact OH-CG 3.32Å; Y2-N296 PolarHBondContact OH-ND2 2.66Å; Y2-N296 VanDerWaalsContact OH-ND2 3.17Å; Y2-N296 PolarHBondContact OH-O 3.07Å; Y75-N296 WeakPolarHBondContact OH-CB 3.42Å; F225-N296 HydrophobicContact CE1-CB 4.4Å; F225-N296 HydrophobicContact CE2-CB 4.38Å; F225-N296 WeakPolarHBondContact CE2-OD1 3.43Å; F225-N296 HydrophobicContact CZ-CB 3.69Å; F225-N296 WeakPolarHBondContact CZ-OD1 3.18Å; Y274-N296 PolarHBondContact OH-ND2 2.97Å; Y274-N296 PolarHBondContact OH-O 3.15Å; Y274-N296 PolarHBondContact OH-OD1 2.82Å; F291-N296 VanDerWaalsContact CZ-C 3.48Å; F291-N296 WeakPolarHBondContact CZ-OD1 3.26Å; N292-N296 PolarHBondContact O-N 2.85Å
297V98.3Very high96.2Very high1 Ų137.5 Ų37.51%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-146164175.1-68.80000109.3Y2 M79 I83 F291 N292 L295 A301 A302Y2-V297 HydrophobicContact CE2-CG1 4.25Å; M79-V297 HydrophobicContact CB-CG1 3.98Å; M79-V297 HydrophobicContact CG-CG1 4.21Å; M79-V297 HydrophobicContact SD-CG1 4.03Å; I83-V297 HydrophobicContact CD1-CG1 4.32Å; F291-V297 WeakPolarHBondContact CD2-O 3.39Å; N292-V297 PolarHBondContact N-O 3.13Å; L295-V297 VanDerWaalsContact C-N 3.35Å; L295-V297 HydrophobicContact CB-CG2 4.01Å; L295-V297 PolarHBondContact O-N 2.77Å; V297-A301 HydrophobicContact CB-CB 4.08Å; V297-A301 HydrophobicContact CG2-CB 4.31Å; V297-A302 HydrophobicContact CG2-CB 3.92Å
298T98.2Very high95.9Very high5 Ų535.8 Ų35.83%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-57.5152.117168.50000110.4D9 I10 P289 F291 S300 A301 A302D9-T298 HydrophobicContact CB-CG2 4.34Å; D9-T298 WeakPolarHBondContact OD2-CB 3.21Å; D9-T298 WeakPolarHBondContact OD2-CG2 3.37Å; D9-T298 PolarHBondContact OD2-OG1 2.93Å; I10-T298 HydrophobicContact CG1-CG2 3.98Å; P289-T298 HydrophobicContact CG-CG2 4.37Å; F291-T298 HydrophobicContact CD2-CG2 4.42Å; T298-S300 PolarHBondContact O-N 2.72Å; T298-A301 PolarHBondContact O-N 3.13Å; T298-A301 WeakPolarHBondContact OG1-CB 2.79Å; T298-A301 PolarHBondContact OG1-N 3.37Å; T298-A302 PolarHBondContact O-N 3.12Å
299Q97.8Very high95.3Very high58 Ų5833.3 Ų33.327%0.27118%0.175SC..Hα-helixtrans-60.9-31178-171.260.153.900111.5T290 A302 N303T290-Q299 WeakPolarHBondContact O-CB 3.49Å; T290-Q299 PolarHBondContact O-N 3.06Å; T290-Q299 VanDerWaalsContact OG1-CB 3.3Å; T290-Q299 WeakPolarHBondContact OG1-CB 3.48Å; Q299-A302 PolarHBondContact O-N 2.99Å; Q299-N303 PolarHBondContact NE2-OD1 3.23Å; Q299-N303 WeakPolarHBondContact O-CB 3.19Å; Q299-N303 PolarHBondContact O-N 3.17Å; Q299-N303 PolarHBondContact O-ND2 3.48Å; Q299-N303 PolarHBondContact O-OD1 3.42Å
300S96.2Very high94.2Very high64 Ų6438 Ų3845%0.44819%0.187SC..Hα-helixtrans-62.2-50.4174.5-1730000111.6T298 A302 N303 R304T298-S300 PolarHBondContact O-N 2.72Å; S300-A302 PolarHBondContact O-N 3.39Å; S300-N303 PolarHBondContact O-N 3.36Å; S300-R304 WeakPolarHBondContact O-CG 3.36Å; S300-R304 PolarHBondContact O-N 2.93Å; S300-R304 PolarHBondContact OG-NH1 2.94Å
301A96.7Very high92.4Very high0 Ų039.7 Ų39.70%019%0.188CC..Hα-helixtrans-62.2-41.5175.700000112I83 V297 T298 N303 R304 L305I83-A301 HydrophobicContact CG1-CB 4Å; V297-A301 HydrophobicContact CB-CB 4.08Å; V297-A301 HydrophobicContact CG2-CB 4.31Å; T298-A301 PolarHBondContact O-N 3.13Å; T298-A301 WeakPolarHBondContact OG1-CB 2.79Å; T298-A301 PolarHBondContact OG1-N 3.37Å; A301-N303 PolarHBondContact O-N 2.74Å; A301-R304 PolarHBondContact O-N 2.96Å; A301-L305 WeakPolarHBondContact O-CB 3.5Å; A301-L305 PolarHBondContact O-N 3.44Å
302A97.2Very high90.5Very high0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-60.7-42.8174.500000112.4N292 L295 V297 T298 Q299 S300 L305 L306N292-A302 HydrophobicContact CB-CB 3.82Å; L295-A302 HydrophobicContact CD1-CB 4.23Å; V297-A302 HydrophobicContact CG2-CB 3.92Å; T298-A302 PolarHBondContact O-N 3.12Å; Q299-A302 PolarHBondContact O-N 2.99Å; S300-A302 PolarHBondContact O-N 3.39Å; A302-L305 PolarHBondContact O-N 2.97Å; A302-L306 WeakPolarHBondContact O-CB 3.34Å; A302-L306 VanDerWaalsContact O-CG 3.28Å; A302-L306 WeakPolarHBondContact O-CG 3.45Å; A302-L306 PolarHBondContact O-N 3.31Å
303N95.4Very high88.2Confident92 Ų9244.5 Ų44.549%0.49222%0.216SC..Hα-helixtrans-65-42.1178-70.6-13.6000111.7Q299 S300 A301 S307Q299-N303 PolarHBondContact NE2-OD1 3.23Å; Q299-N303 WeakPolarHBondContact O-CB 3.19Å; Q299-N303 PolarHBondContact O-N 3.17Å; Q299-N303 PolarHBondContact O-ND2 3.48Å; Q299-N303 PolarHBondContact O-OD1 3.42Å; S300-N303 PolarHBondContact O-N 3.36Å; A301-N303 PolarHBondContact O-N 2.74Å; N303-S307 VanDerWaalsContact O-CB 3.27Å; N303-S307 WeakPolarHBondContact O-CB 3.38Å; N303-S307 PolarHBondContact O-N 2.91Å; N303-S307 PolarHBondContact O-OG 3Å
304R91.8Very high85.9Confident83 Ų8351.3 Ų51.331%0.31325%0.25SS..Hα-helixtrans-58.8-49.8173.1-71.7-167.1-67.5-105.77.5110.7D9 A82 I83 S300 A301 S307 R308D9-R304 IonicContact OD1-NH2 3.19Å; A82-R304 PolarHBondContact O-NE 3.28Å; A82-R304 VanDerWaalsContact O-NE 3.14Å; I83-R304 PolarHBondContact O-NH2 3.33Å; S300-R304 WeakPolarHBondContact O-CG 3.36Å; S300-R304 PolarHBondContact O-N 2.93Å; S300-R304 PolarHBondContact OG-NH1 2.94Å; A301-R304 PolarHBondContact O-N 2.96Å; R304-S307 PolarHBondContact O-OG 3.09Å; R304-R308 VanDerWaalsContact O-CG 3.28Å; R304-R308 WeakPolarHBondContact O-CG 3.46Å; R304-R308 PolarHBondContact O-N 3.48Å
305L93.4Very high83.4Confident0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-57.9-53.1-179.6-175.961.3000111.8I78 M79 A82 F88 V133 A301 A302 F309I78-L305 HydrophobicContact CG2-CD1 3.75Å; M79-L305 HydrophobicContact CE-CD2 3.82Å; M79-L305 HydrophobicContact SD-CD2 3.62Å; A82-L305 HydrophobicContact CB-CB 3.95Å; A82-L305 HydrophobicContact CB-CD1 3.94Å; A82-L305 HydrophobicContact CB-CD2 4.43Å; A82-L305 HydrophobicContact CB-CG 4.34Å; F88-L305 HydrophobicContact CE1-CD1 4.22Å; F88-L305 HydrophobicContact CE2-CD1 4Å; F88-L305 HydrophobicContact CZ-CD1 3.55Å; V133-L305 HydrophobicContact CB-CD1 4.3Å; V133-L305 HydrophobicContact CB-CD2 3.85Å; V133-L305 HydrophobicContact CB-CG 3.99Å; V133-L305 HydrophobicContact CG1-CD2 3.41Å; V133-L305 VanDerWaalsContact CG1-CD2 3.41Å; V133-L305 HydrophobicContact CG1-CG 4.05Å; A301-L305 WeakPolarHBondContact O-CB 3.5Å; A301-L305 PolarHBondContact O-N 3.44Å; A302-L305 PolarHBondContact O-N 2.97Å; L305-F309 HydrophobicContact CD1-CD2 4.11Å; L305-F309 HydrophobicContact CD1-CE2 3.55Å; L305-F309 HydrophobicContact CG-CE2 4.48Å; L305-F309 WeakPolarHBondContact O-CD2 3.3Å
306L93.6Very high80.5Confident13 Ų1366 Ų667%0.06833%0.328CS..Hα-helixtrans-73.2-31-174.2-63.5173.9000113.3Y132 V133 L295 A302 R310Y132-L306 HydrophobicContact CD1-CD2 4.04Å; Y132-L306 HydrophobicContact CE1-CD1 4.11Å; Y132-L306 HydrophobicContact CE1-CD2 3.64Å; V133-L306 HydrophobicContact CG1-CD2 4.49Å; L295-L306 HydrophobicContact CD1-CD1 4.45Å; A302-L306 WeakPolarHBondContact O-CB 3.34Å; A302-L306 VanDerWaalsContact O-CG 3.28Å; A302-L306 WeakPolarHBondContact O-CG 3.45Å; A302-L306 PolarHBondContact O-N 3.31Å; L306-R310 WeakPolarHBondContact O-CG 3.46Å; L306-R310 PolarHBondContact O-N 3.25Å
307S90.6Very high79.6Confident49 Ų4969 Ų6934%0.34334%0.343SS..Hα-helixtrans-67.9-41.7176.357.90000111.9N303 R304 F309 H311N303-S307 VanDerWaalsContact O-CB 3.27Å; N303-S307 WeakPolarHBondContact O-CB 3.38Å; N303-S307 PolarHBondContact O-N 2.91Å; N303-S307 PolarHBondContact O-OG 3Å; R304-S307 PolarHBondContact O-OG 3.09Å; S307-F309 VanDerWaalsContact C-N 3.34Å; S307-F309 PolarHBondContact O-N 3.06Å; S307-H311 PolarHBondContact O-CD2 3.09Å; S307-H311 PolarHBondContact O-N 3.49Å
308R86.7Confident78.6Confident138 Ų13872.6 Ų72.652%0.52136%0.361SS..Hα-helixtrans-62.8-37.2-178.6-69-67-175.7-143.11.3113.4F88 R304F88-R308 HydrophobicContact CD2-CB 4.2Å; F88-R308 HydrophobicContact CD2-CG 4.46Å; R304-R308 VanDerWaalsContact O-CG 3.28Å; R304-R308 WeakPolarHBondContact O-CG 3.46Å; R304-R308 PolarHBondContact O-N 3.48Å
309F81.3Confident77.5Confident4 Ų476.3 Ų76.32%0.01838%0.379CS..Hα-helixtrans-85.3-29.6-178.6-66.5-64.6000114.2F88 L91 R93 V133 L134 H135 L305 S307 H311 A312F88-F309 HydrophobicContact CB-CE1 3.91Å; F88-F309 HydrophobicContact CB-CZ 3.7Å; F88-F309 HydrophobicContact CD1-CE2 4.35Å; F88-F309 AromaticContact CD1-CZ 3.77Å; F88-F309 HydrophobicContact CD1-CZ 3.77Å; F88-F309 HydrophobicContact CD2-CE2 4.07Å; F88-F309 AromaticContact CD2-CZ 3.86Å; F88-F309 HydrophobicContact CD2-CZ 3.86Å; F88-F309 HydrophobicContact CE1-CE2 4.45Å; F88-F309 HydrophobicContact CE1-CZ 4.29Å; F88-F309 HydrophobicContact CE2-CE2 4.21Å; F88-F309 HydrophobicContact CE2-CZ 4.4Å; F88-F309 HydrophobicContact CG-CE1 4.21Å; F88-F309 HydrophobicContact CG-CE2 4.12Å; F88-F309 AromaticContact CG-CZ 3.5Å; F88-F309 HydrophobicContact CG-CZ 3.5Å; F88-F309 VanDerWaalsContact CG-CZ 3.5Å; F88-F309 HydrophobicContact CZ-CE2 4.39Å; L91-F309 HydrophobicContact CD2-CE1 4.16Å; L91-F309 HydrophobicContact CD2-CZ 3.79Å; R93-F309 HydrophobicContact CG-CE1 4.39Å; R93-F309 VanDerWaalsContact CZ-CE1 3.42Å; V133-F309 WeakPolarHBondContact O-CB 3.36Å; V133-F309 WeakPolarHBondContact O-CD2 3.47Å; V133-F309 VanDerWaalsContact O-CG 3.32Å; V133-F309 WeakPolarHBondContact O-CG 3.21Å; L134-F309 HydrophobicContact CD2-CD1 4.07Å; L134-F309 HydrophobicContact CD2-CE1 3.63Å; L134-F309 HydrophobicContact CD2-CE2 4.13Å; L134-F309 HydrophobicContact CD2-CZ 3.68Å; H135-F309 VanDerWaalsContact CD2-CB 3.47Å; H135-F309 WeakPolarHBondContact CD2-CB 3.45Å; L305-F309 HydrophobicContact CD1-CD2 4.11Å; L305-F309 HydrophobicContact CD1-CE2 3.55Å; L305-F309 HydrophobicContact CG-CE2 4.48Å; L305-F309 WeakPolarHBondContact O-CD2 3.3Å; S307-F309 VanDerWaalsContact C-N 3.34Å; S307-F309 PolarHBondContact O-N 3.06Å; F309-H311 VanDerWaalsContact C-N 3.33Å; F309-H311 PolarHBondContact O-N 3.33Å; F309-A312 PolarHBondContact O-N 3.31Å
310R74.5Confident76.3Confident144 Ų14477.4 Ų77.454%0.54339%0.385SS..Hα-helixtrans-61-41.2173.3-76.9-174.7-153.3-175.85112.5L306 A312 Q313L306-R310 WeakPolarHBondContact O-CG 3.46Å; L306-R310 PolarHBondContact O-N 3.25Å; R310-A312 VanDerWaalsContact C-N 3.27Å; R310-A312 PolarHBondContact O-N 3.37Å; R310-Q313 PolarHBondContact O-N 3Å
311H59.7Low75Confident134 Ų13478.3 Ų78.362%0.6238%0.382SS*.Hα-helixtrans-68.3-27-179.3-69.3-59.9000113.1S307 F309 Q313S307-H311 PolarHBondContact O-CD2 3.09Å; S307-H311 PolarHBondContact O-N 3.49Å; F309-H311 VanDerWaalsContact C-N 3.33Å; F309-H311 PolarHBondContact O-N 3.33Å; H311-Q313 VanDerWaalsContact C-N 3.34Å
312A56.7Low73.6Confident35 Ų3583.5 Ų83.529%0.28941%0.407SS..Hα-helixtrans-73-24.8178.900000113.4F309 R310F309-A312 PolarHBondContact O-N 3.31Å; R310-A312 VanDerWaalsContact C-N 3.27Å; R310-A312 PolarHBondContact O-N 3.37Å
313Q50.3Low71.9Confident101 Ų10189.4 Ų89.447%0.47244%0.436SS..Hα-helixtrans-82.2-25.2177.3-72.9-171.9-27.500113.3H135 R310 H311 G315H135-Q313 PolarHBondContact O-NE2 2.81Å; R310-Q313 PolarHBondContact O-N 3Å; H311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-G315 PolarHBondContact O-N 3.39Å
314L49.5Very low70.1Confident148 Ų14889.2 Ų89.278%0.77543%0.432SS*.THydrogen-bonded Turntrans-78.6-8.3175.2-69.5168.6000113.3
315G46.8Very low68.3Low73 Ų7389.8 Ų89.875%0.75344%0.442SS*.THydrogen-bonded Turntrans-105.47178.400000115Q313Q313-G315 PolarHBondContact O-N 3.39Å
316R36.5Very low66Low238 Ų23897.9 Ų97.990%0.89848%0.482SS*.  trans-111.50168.8-66.8-172.3-172.9-167.82.5108.8D94D94-R316 IonicContact OD1-NH1 3.83Å; D94-R316 IonicContact OD1-NH2 2.86Å

Retrieved 316 of 316 residues in 303.8 ms (Link to these results)

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