A0A077ZC91_TRITR Loading...

Lancl1 protein

AlphaFold DB , UniProt , Accession A0A077ZC91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 422 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
1M68.2Low92.5Very high164 Ų16467.1 Ų67.181%0.80836%0.36SS*.  0116.50178.5-169.4-80.100106.6R3M1-R3 PolarHBondContact O-N 2.79Å
2V87.3Confident92.6Very high39 Ų3963.3 Ų63.324%0.23634%0.342CS..  trans-38.5131.2178.2-167.70000112.5Y4 E288 R335V2-Y4 VanDerWaalsContact C-N 3.33Å; V2-Y4 HydrophobicContact CG1-CD1 3.9Å; V2-Y4 HydrophobicContact CG1-CD2 4.08Å; V2-Y4 HydrophobicContact CG1-CE1 3.81Å; V2-Y4 HydrophobicContact CG1-CE2 4Å; V2-Y4 HydrophobicContact CG1-CG 4.03Å; V2-Y4 WeakPolarHBondContact CG1-O 3.49Å; V2-E288 WeakPolarHBondContact CA-O 3.22Å; V2-E288 HydrophobicContact CB-CB 4.38Å; V2-E288 HydrophobicContact CG2-CB 3.94Å; V2-E288 HydrophobicContact CG2-CG 3.77Å; V2-R335 VanDerWaalsContact O-CD 3.27Å; V2-R335 WeakPolarHBondContact O-CD 3.38Å; V2-R335 PolarHBondContact O-NE 2.99Å
3R92.6Very high92.5Very high83 Ų8371 Ų7131%0.31338%0.375SS..SBendtrans-76.2-18.1-178.2-69.1-179.8179.9-96.2-2.2114.3M1 E288 D289 E290 R335M1-R3 PolarHBondContact O-N 2.79Å; R3-E288 PolarHBondContact N-O 2.99Å; R3-D289 VanDerWaalsContact CD-O 3.28Å; R3-D289 WeakPolarHBondContact CD-O 3.45Å; R3-D289 PolarHBondContact NE-O 3.32Å; R3-D289 IonicContact NE-OD1 3.69Å; R3-E290 WeakPolarHBondContact CD-O 3.3Å; R3-R335 WeakPolarHBondContact O-CB 3.05Å; R3-R335 PolarHBondContact O-N 3.49Å
4Y95.5Very high92.4Very high32 Ų3273.6 Ų73.613%0.12538%0.383CS..BIsolated β-bridgetrans-120.7167.4-178.657.4-90.7000112.4V2 D287 K331 L333 R335V2-Y4 VanDerWaalsContact C-N 3.33Å; V2-Y4 HydrophobicContact CG1-CD1 3.9Å; V2-Y4 HydrophobicContact CG1-CD2 4.08Å; V2-Y4 HydrophobicContact CG1-CE1 3.81Å; V2-Y4 HydrophobicContact CG1-CE2 4Å; V2-Y4 HydrophobicContact CG1-CG 4.03Å; V2-Y4 WeakPolarHBondContact CG1-O 3.49Å; Y4-D287 PolarHBondContact OH-O 3.42Å; Y4-K331 WeakPolarHBondContact CB-O 3.32Å; Y4-K331 HydrophobicContact CD1-CB 3.98Å; Y4-K331 HydrophobicContact CD1-CG 4.43Å; Y4-K331 HydrophobicContact CD2-CB 4.18Å; Y4-K331 HydrophobicContact CD2-CG 4.4Å; Y4-K331 HydrophobicContact CE1-CB 4.01Å; Y4-K331 HydrophobicContact CE1-CD 3.88Å; Y4-K331 HydrophobicContact CE1-CG 3.96Å; Y4-K331 HydrophobicContact CE2-CB 4.2Å; Y4-K331 HydrophobicContact CE2-CG 3.92Å; Y4-K331 HydrophobicContact CG-CB 4.08Å; Y4-L333 CarbonylContact C-O 3.55Å; Y4-L333 VanDerWaalsContact CA-O 3.24Å; Y4-L333 WeakPolarHBondContact CA-O 3.21Å; Y4-L333 WeakPolarHBondContact CB-O 3.32Å; Y4-R335 PolarHBondContact O-NE 2.77Å; Y4-R335 VanDerWaalsContact O-NE 3.09Å
5F96.5Very high92.1Very high0 Ų074.2 Ų74.20%039%0.394CS..PPolyproline II helixtrans-91.6145.4167.8-62.8-88.1000109N7 L333 R335 F373 E378 F379 A383F5-N7 PolarHBondContact O-N 2.66Å; F5-L333 HydrophobicContact CB-CB 4.1Å; F5-L333 VanDerWaalsContact CD2-O 3.32Å; F5-L333 WeakPolarHBondContact CD2-O 3.4Å; F5-L333 PolarHBondContact N-O 2.71Å; F5-R335 HydrophobicContact CD1-CG 4.37Å; F5-R335 HydrophobicContact CD2-CG 3.81Å; F5-R335 HydrophobicContact CE1-CG 4.19Å; F5-R335 HydrophobicContact CE2-CB 4.14Å; F5-R335 HydrophobicContact CE2-CG 3.62Å; F5-R335 HydrophobicContact CG-CG 4.19Å; F5-R335 HydrophobicContact CZ-CB 4.46Å; F5-R335 HydrophobicContact CZ-CG 3.83Å; F5-F373 HydrophobicContact CB-CE1 4.17Å; F5-F373 HydrophobicContact CB-CE2 4.47Å; F5-F373 HydrophobicContact CB-CZ 3.62Å; F5-F373 AromaticContact CD1-CZ 3.94Å; F5-F373 HydrophobicContact CD1-CZ 3.94Å; F5-F373 AromaticContact CD2-CE1 3.49Å; F5-F373 HydrophobicContact CD2-CE1 3.49Å; F5-F373 VanDerWaalsContact CD2-CE1 3.49Å; F5-F373 AromaticContact CD2-CZ 3.58Å; F5-F373 HydrophobicContact CD2-CZ 3.58Å; F5-F373 HydrophobicContact CE1-CZ 4.44Å; F5-F373 AromaticContact CE2-CE1 3.92Å; F5-F373 HydrophobicContact CE2-CE1 3.92Å; F5-F373 HydrophobicContact CE2-CZ 4.13Å; F5-F373 AromaticContact CG-CE1 3.9Å; F5-F373 HydrophobicContact CG-CE1 3.9Å; F5-F373 AromaticContact CG-CZ 3.47Å; F5-F373 HydrophobicContact CG-CZ 3.47Å; F5-F373 VanDerWaalsContact CG-CZ 3.47Å; F5-E378 HydrophobicContact CD1-CG 3.96Å; F5-E378 WeakPolarHBondContact CD1-OE1 3.48Å; F5-E378 HydrophobicContact CE1-CG 3.94Å; F5-F379 AromaticContact CE2-CD2 3.93Å; F5-F379 HydrophobicContact CE2-CD2 3.93Å; F5-F379 HydrophobicContact CE2-CE2 4.48Å; F5-F379 HydrophobicContact CZ-CD2 4.43Å; F5-A383 HydrophobicContact CE2-CB 4.46Å; F5-A383 HydrophobicContact CZ-CB 4.27Å
6T95.6Very high92.1Very high115 Ų11577.3 Ų77.371%0.70641%0.405SS*.PPolyproline II helixtrans-60.1130167.3-55.60000108.3P8T6-P8 VanDerWaalsContact O-CD 3.24Å; T6-P8 WeakPolarHBondContact O-CD 3.48Å
7N97.5Very high92Very high26 Ų2674.9 Ų74.914%0.13939%0.392CS..PPolyproline II helixtrans-66.4116.6178.4-172.5-15.1000110.3F5 F9 W329 L333F5-N7 PolarHBondContact O-N 2.66Å; N7-F9 VanDerWaalsContact C-N 3.31Å; N7-F9 VanDerWaalsContact OD1-CD2 3.29Å; N7-F9 WeakPolarHBondContact OD1-CD2 3.37Å; N7-F9 PolarHBondContact OD1-N 3.08Å; N7-W329 VanDerWaalsContact ND2-CE2 3.26Å; N7-W329 WeakPolarHBondContact ND2-CH2 3.37Å; N7-W329 WeakPolarHBondContact ND2-CZ2 3.41Å; N7-W329 VanDerWaalsContact ND2-CZ3 3.29Å; N7-W329 WeakPolarHBondContact ND2-CZ3 3.37Å; N7-W329 PolarHBondContact ND2-O 3.37Å; N7-L333 HydrophobicContact CB-CD1 4.16Å
8P96.8Very high92Very high73 Ų7370.9 Ų70.947%0.47437%0.371SS..  trans-84.5-5.7-176.335.7-36000113.2T6 F373T6-P8 VanDerWaalsContact O-CD 3.24Å; T6-P8 WeakPolarHBondContact O-CD 3.48Å; P8-F373 HydrophobicContact CG-CD2 4.1Å; P8-F373 HydrophobicContact CG-CE2 4.27Å
9F96.7Very high91.9Very high53 Ų5371.8 Ų71.823%0.23238%0.384CS..SBendtrans-93.9137-176.5-57.7-82.5000110.8N7 W329 S369 H372 F373N7-F9 VanDerWaalsContact C-N 3.31Å; N7-F9 VanDerWaalsContact OD1-CD2 3.29Å; N7-F9 WeakPolarHBondContact OD1-CD2 3.37Å; N7-F9 PolarHBondContact OD1-N 3.08Å; F9-W329 HydrophobicContact CB-CH2 3.68Å; F9-W329 HydrophobicContact CB-CZ2 4.09Å; F9-S369 WeakPolarHBondContact CE2-O 3.43Å; F9-S369 WeakPolarHBondContact CZ-O 3.13Å; F9-H372 HydrophobicContact CZ-CB 4.28Å; F9-F373 HydrophobicContact CE2-CB 3.95Å; F9-F373 HydrophobicContact CE2-CD2 4.25Å; F9-F373 HydrophobicContact CZ-CB 4.42Å
10P95.6Very high91.7Very high94 Ų9475.8 Ų75.861%0.6140%0.4SS*.PPolyproline II helixtrans-62154.8162.730.3-33.8000109.6W329 Y365P10-W329 WeakPolarHBondContact O-CZ2 3.41Å; P10-Y365 WeakPolarHBondContact O-CE1 3.35Å; P10-Y365 PolarHBondContact O-OH 2.91Å
11D95.5Very high91.7Very high59 Ų5973.9 Ų73.932%0.31639%0.39SS..PPolyproline II helixtrans-78.6155.3173.7-154.75.4000110.1E13 W329 R366D11-E13 PolarHBondContact O-N 3.1Å; D11-W329 HydrophobicContact CB-CZ2 4.27Å; D11-R366 IonicContact OD1-CZ 2.66Å; D11-R366 IonicContact OD1-NE 3.48Å; D11-R366 PolarHBondContact OD1-NE 3.27Å; D11-R366 IonicContact OD1-NH2 3.12Å; D11-R366 IonicContact OD2-CZ 3.11Å; D11-R366 IonicContact OD2-NE 3.74Å; D11-R366 IonicContact OD2-NH2 2.96Å; D11-R366 PolarHBondContact OD2-NH2 3.46Å
12C93.7Very high92.9Very high22 Ų2268.7 Ų68.715%0.14937%0.366CS..PPolyproline II helixtrans-68.5121.8-174.8-176.70000111.5H14 K362 Y365C12-H14 PolarHBondContact SG-O 3.28Å; C12-K362 HydrophobicContact CB-CB 3.99Å; C12-Y365 HydrophobicContact CB-CD1 3.69Å; C12-Y365 HydrophobicContact CB-CD2 4.15Å; C12-Y365 HydrophobicContact CB-CE1 4.32Å; C12-Y365 HydrophobicContact CB-CG 3.6Å
13E91.3Very high93.2Very high163 Ų16371.3 Ų71.376%0.76238%0.375SS*.  trans-96-36.1174.1-61-171.316600111.3D11 E17D11-E13 PolarHBondContact O-N 3.1Å; E13-E17 WeakPolarHBondContact CA-OE1 3.38Å; E13-E17 WeakPolarHBondContact CB-OE1 3.25Å; E13-E17 PolarHBondContact N-OE1 3.45Å
14H91.5Very high93.4Very high107 Ų10771.1 Ų71.150%0.49538%0.377SS..SBendtrans-128.8140.5-174.6-62-64.7000113.3C12 E16 E17C12-H14 PolarHBondContact SG-O 3.28Å; H14-E16 WeakPolarHBondContact CB-OE2 3.42Å; H14-E16 PolarHBondContact O-N 3.35Å; H14-E16 VanDerWaalsContact O-N 3.12Å; H14-E17 HydrophobicContact CB-CG 4.48Å; H14-E17 IonicContact CD2-OE1 3.94Å; H14-E17 PolarHBondContact N-OE1 3.12Å; H14-E17 WeakPolarHBondContact O-CB 3.44Å; H14-E17 PolarHBondContact O-N 3.19Å; H14-E17 VanDerWaalsContact O-N 3.08Å
15P87.3Confident93.4Very high83 Ų8373.4 Ų73.454%0.53940%0.397SS..Hα-helixtrans-57.4-27.2-179.5-25.635000115E17 A18 A361P15-E17 PolarHBondContact O-N 3.12Å; P15-A18 PolarHBondContact O-N 3.19Å; P15-A361 HydrophobicContact CB-CB 3.79Å; P15-A361 HydrophobicContact CG-CB 4.35Å
16E91.6Very high93.5Very high123 Ų12375.5 Ų75.558%0.57541%0.405SS*.Hα-helixtrans-60.9-33.9177.4-61.888.4175.400112H14 A18 S19 E20H14-E16 WeakPolarHBondContact CB-OE2 3.42Å; H14-E16 PolarHBondContact O-N 3.35Å; H14-E16 VanDerWaalsContact O-N 3.12Å; E16-A18 VanDerWaalsContact C-N 3.25Å; E16-A18 PolarHBondContact O-N 2.96Å; E16-S19 WeakPolarHBondContact O-CA 3.12Å; E16-S19 VanDerWaalsContact O-CB 3.28Å; E16-S19 WeakPolarHBondContact O-CB 3.28Å; E16-S19 PolarHBondContact O-N 3.02Å; E16-E20 PolarHBondContact O-N 3.14Å; E16-E20 VanDerWaalsContact O-N 3.1Å
17E90.9Very high93.6Very high38 Ų3870 Ų7018%0.17837%0.371CS..Hα-helixtrans-61.4-34.1179.3-62.4171.8-127.500112.3E13 H14 P15 S19 E20 L21 Y365E13-E17 WeakPolarHBondContact CA-OE1 3.38Å; E13-E17 WeakPolarHBondContact CB-OE1 3.25Å; E13-E17 PolarHBondContact N-OE1 3.45Å; H14-E17 HydrophobicContact CB-CG 4.48Å; H14-E17 IonicContact CD2-OE1 3.94Å; H14-E17 PolarHBondContact N-OE1 3.12Å; H14-E17 WeakPolarHBondContact O-CB 3.44Å; H14-E17 PolarHBondContact O-N 3.19Å; H14-E17 VanDerWaalsContact O-N 3.08Å; P15-E17 PolarHBondContact O-N 3.12Å; E17-S19 VanDerWaalsContact C-N 3.26Å; E17-S19 PolarHBondContact O-N 2.87Å; E17-E20 PolarHBondContact O-N 2.88Å; E17-L21 PolarHBondContact O-N 2.96Å; E17-Y365 HydrophobicContact CB-CD2 3.92Å; E17-Y365 HydrophobicContact CB-CE2 3.92Å
18A91.5Very high93.6Very high3 Ų372.3 Ų72.33%0.02538%0.382CS..Hα-helixtrans-65.6-34.3174.500000111.4P15 E16 L21 D22 A361 F368P15-A18 PolarHBondContact O-N 3.19Å; E16-A18 VanDerWaalsContact C-N 3.25Å; E16-A18 PolarHBondContact O-N 2.96Å; A18-L21 PolarHBondContact O-N 2.82Å; A18-D22 PolarHBondContact O-N 3.29Å; A18-A361 HydrophobicContact CB-CB 4.23Å; A18-F368 WeakPolarHBondContact O-CD2 3.41Å; A18-F368 WeakPolarHBondContact O-CE2 3.1Å
19S89.7Confident93.7Very high87 Ų8776.6 Ų76.661%0.60839%0.389SS*.Hα-helixtrans-73.1-32.3179.3-540000111.7E16 E17 L21 D22E16-S19 WeakPolarHBondContact O-CA 3.12Å; E16-S19 VanDerWaalsContact O-CB 3.28Å; E16-S19 WeakPolarHBondContact O-CB 3.28Å; E16-S19 PolarHBondContact O-N 3.02Å; E17-S19 VanDerWaalsContact C-N 3.26Å; E17-S19 PolarHBondContact O-N 2.87Å; S19-L21 VanDerWaalsContact C-N 3.25Å; S19-L21 PolarHBondContact O-N 3.46Å; S19-D22 PolarHBondContact O-N 2.66Å
20E89.1Confident93.8Very high151 Ų15175.5 Ų75.571%0.70638%0.384SS*.Hα-helixtrans-64.4-30.4175.3-66.6-179177.300112.7E16 E17E16-E20 PolarHBondContact O-N 3.14Å; E16-E20 VanDerWaalsContact O-N 3.1Å; E17-E20 PolarHBondContact O-N 2.88Å
21L91.5Very high93.9Very high36 Ų3671 Ų7119%0.18836%0.355CS..THydrogen-bonded Turntrans-91.1-5.8177.7-61.3-176000114.1E17 A18 S19 E23 Y365 F368 S369 H372E17-L21 PolarHBondContact O-N 2.96Å; A18-L21 PolarHBondContact O-N 2.82Å; S19-L21 VanDerWaalsContact C-N 3.25Å; S19-L21 PolarHBondContact O-N 3.46Å; L21-E23 PolarHBondContact O-N 3.13Å; L21-Y365 HydrophobicContact CD1-CD2 3.61Å; L21-Y365 HydrophobicContact CD1-CE2 3.41Å; L21-Y365 VanDerWaalsContact CD1-CE2 3.41Å; L21-Y365 HydrophobicContact CD1-CG 4.33Å; L21-Y365 HydrophobicContact CG-CD2 4.39Å; L21-Y365 HydrophobicContact CG-CE2 4.23Å; L21-F368 HydrophobicContact CB-CB 3.64Å; L21-F368 HydrophobicContact CB-CD2 4Å; L21-F368 HydrophobicContact CB-CG 4.19Å; L21-F368 HydrophobicContact CD1-CB 4.32Å; L21-S369 VanDerWaalsContact CD1-OG 3.32Å; L21-S369 WeakPolarHBondContact CD1-OG 3.33Å; L21-H372 PolarHBondContact O-NE2 3.13Å; L21-H372 VanDerWaalsContact O-NE2 3.15Å
22D93Very high94.1Very high56 Ų5669.6 Ų69.630%0.29935%0.351SS..  trans-75.267.3179.3-170.211.4000112A18 S19 K24 F368A18-D22 PolarHBondContact O-N 3.29Å; S19-D22 PolarHBondContact O-N 2.66Å; D22-K24 PolarHBondContact O-N 3.06Å; D22-K24 VanDerWaalsContact O-N 3.15Å; D22-K24 VanDerWaalsContact OD1-CE 3.23Å; D22-K24 WeakPolarHBondContact OD1-CE 3.34Å; D22-K24 WeakPolarHBondContact OD1-CG 3.35Å; D22-K24 WeakPolarHBondContact OD2-CE 3.46Å; D22-F368 HydrophobicContact CB-CD2 4.45Å; D22-F368 HydrophobicContact CB-CE2 3.6Å; D22-F368 HydrophobicContact CB-CZ 3.72Å; D22-F368 WeakPolarHBondContact OD1-CZ 3.35Å
23E93.9Very high94.3Very high93 Ų9372.5 Ų72.544%0.43536%0.363SS..  trans-89.161.8-178.8-63.5-163.881.300112.6L21 S25 R26 F27 H372L21-E23 PolarHBondContact O-N 3.13Å; E23-S25 VanDerWaalsContact C-N 3.29Å; E23-S25 PolarHBondContact O-N 2.66Å; E23-S25 VanDerWaalsContact O-N 3.12Å; E23-R26 HydrophobicContact CB-CB 3.78Å; E23-R26 WeakPolarHBondContact O-CA 3.29Å; E23-R26 VanDerWaalsContact O-CB 3.31Å; E23-R26 WeakPolarHBondContact O-CB 3.29Å; E23-R26 PolarHBondContact O-N 3.29Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-NE 3.99Å; E23-F27 WeakPolarHBondContact O-CD2 3.45Å; E23-F27 PolarHBondContact O-N 3.5Å; E23-H372 IonicContact OE2-CE1 2.69Å; E23-H372 PolarHBondContact OE2-CE1 3.12Å; E23-H372 IonicContact OE2-ND1 2.75Å; E23-H372 IonicContact OE2-NE2 3.15Å
24K96.2Very high94.7Very high80 Ų8065 Ų6535%0.34833%0.328SS..Hα-helixtrans-50.1-43.2-175.5-59.3-165-178.2-161.60114.7D22 R26 F27 M28 D408D22-K24 PolarHBondContact O-N 3.06Å; D22-K24 VanDerWaalsContact O-N 3.15Å; D22-K24 VanDerWaalsContact OD1-CE 3.23Å; D22-K24 WeakPolarHBondContact OD1-CE 3.34Å; D22-K24 WeakPolarHBondContact OD1-CG 3.35Å; D22-K24 WeakPolarHBondContact OD2-CE 3.46Å; K24-R26 VanDerWaalsContact C-N 3.3Å; K24-R26 PolarHBondContact O-N 2.89Å; K24-F27 PolarHBondContact O-N 3.48Å; K24-M28 WeakPolarHBondContact O-CB 3.49Å; K24-M28 PolarHBondContact O-N 3.29Å; K24-D408 PolarHBondContact NZ-O 2.94Å
25S96.7Very high95Very high79 Ų7960.4 Ų60.455%0.55231%0.307SS*.Hα-helixtrans-64.3-34.8178.7-56.60000112.6E23 R29E23-S25 VanDerWaalsContact C-N 3.29Å; E23-S25 PolarHBondContact O-N 2.66Å; E23-S25 VanDerWaalsContact O-N 3.12Å; S25-R29 WeakPolarHBondContact O-CG 3.47Å; S25-R29 PolarHBondContact O-N 2.89Å; S25-R29 VanDerWaalsContact O-N 3.13Å
26R97.2Very high95.5Very high45 Ų4564.5 Ų64.517%0.1731%0.311CS..Hα-helixtrans-70.4-46.2174.6174.3-136.3-176.7-75.94.8110.4E23 K24 M28 R29 K30 H372 D375E23-R26 HydrophobicContact CB-CB 3.78Å; E23-R26 WeakPolarHBondContact O-CA 3.29Å; E23-R26 VanDerWaalsContact O-CB 3.31Å; E23-R26 WeakPolarHBondContact O-CB 3.29Å; E23-R26 PolarHBondContact O-N 3.29Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-NE 3.99Å; K24-R26 VanDerWaalsContact C-N 3.3Å; K24-R26 PolarHBondContact O-N 2.89Å; R26-M28 VanDerWaalsContact C-N 3.29Å; R26-M28 PolarHBondContact O-N 3.27Å; R26-R29 PolarHBondContact O-N 3.46Å; R26-K30 PolarHBondContact O-N 3.47Å; R26-H372 PolarHBondContact NE-ND1 3.49Å; R26-D375 IonicContact CZ-OD2 2.6Å; R26-D375 IonicContact NH1-OD2 3.35Å; R26-D375 PolarHBondContact NH1-OD2 3.18Å; R26-D375 VanDerWaalsContact NH2-CG 3.3Å; R26-D375 IonicContact NH2-OD2 2.81Å; R26-D375 PolarHBondContact NH2-OD2 3.29Å
27F98.3Very high95.9Very high0 Ų060.3 Ų60.30%029%0.294CS..Hα-helixtrans-58.9-42.1175.8-58.1-40.4000111.5E23 K24 R29 K30 T31 F368 A371 H372 F403 L406E23-F27 WeakPolarHBondContact O-CD2 3.45Å; E23-F27 PolarHBondContact O-N 3.5Å; K24-F27 PolarHBondContact O-N 3.48Å; F27-R29 PolarHBondContact O-N 2.89Å; F27-K30 PolarHBondContact O-N 3.18Å; F27-T31 PolarHBondContact O-N 3.28Å; F27-T31 PolarHBondContact O-OG1 2.7Å; F27-F368 AromaticContact CE2-CD1 3.6Å; F27-F368 HydrophobicContact CE2-CD1 3.6Å; F27-F368 AromaticContact CE2-CE1 3.73Å; F27-F368 HydrophobicContact CE2-CE1 3.73Å; F27-F368 AromaticContact CZ-CD1 3.78Å; F27-F368 HydrophobicContact CZ-CD1 3.78Å; F27-F368 HydrophobicContact CZ-CE1 4.38Å; F27-F368 HydrophobicContact CZ-CG 4.43Å; F27-A371 HydrophobicContact CE1-CB 4Å; F27-H372 AromaticContact CZ-NE2 3.83Å; F27-F403 HydrophobicContact CB-CD1 4.33Å; F27-F403 AromaticContact CD1-CD1 3.73Å; F27-F403 HydrophobicContact CD1-CD1 3.73Å; F27-F403 AromaticContact CD1-CE1 3.94Å; F27-F403 HydrophobicContact CD1-CE1 3.94Å; F27-F403 HydrophobicContact CE1-CE1 4.4Å; F27-F403 HydrophobicContact CG-CD1 4.39Å; F27-L406 HydrophobicContact CB-CB 4.38Å; F27-L406 HydrophobicContact CD2-CB 3.69Å; F27-L406 HydrophobicContact CE2-CB 4.1Å; F27-L406 HydrophobicContact CG-CB 4Å
28M98.1Very high96.2Very high73 Ų7358.5 Ų58.536%0.3629%0.286SS..Hα-helixtrans-58.6-47174.8-174.5-17370.500112.5K24 R26 K30 T31 A32 P72 F73K24-M28 WeakPolarHBondContact O-CB 3.49Å; K24-M28 PolarHBondContact O-N 3.29Å; R26-M28 VanDerWaalsContact C-N 3.29Å; R26-M28 PolarHBondContact O-N 3.27Å; M28-K30 VanDerWaalsContact C-N 3.32Å; M28-K30 PolarHBondContact O-N 3.4Å; M28-T31 PolarHBondContact O-N 3.44Å; M28-A32 PolarHBondContact O-N 3.36Å; M28-A32 VanDerWaalsContact O-N 3.17Å; M28-P72 HydrophobicContact CG-CB 3.97Å; M28-P72 HydrophobicContact SD-CB 3.74Å; M28-F73 HydrophobicContact CB-CZ 4.39Å; M28-F73 HydrophobicContact CG-CE1 3.74Å; M28-F73 HydrophobicContact CG-CZ 3.85Å
29R98.2Very high96.6Very high163 Ų16359.7 Ų59.762%0.61529%0.292SS*.Hα-helixtrans-61.3-41.6175.9-74.5-173.2-62.9-124.11.5111.6S25 R26 F27 A32 E33S25-R29 WeakPolarHBondContact O-CG 3.47Å; S25-R29 PolarHBondContact O-N 2.89Å; S25-R29 VanDerWaalsContact O-N 3.13Å; R26-R29 PolarHBondContact O-N 3.46Å; F27-R29 PolarHBondContact O-N 2.89Å; R29-A32 PolarHBondContact O-N 2.97Å; R29-E33 PolarHBondContact O-N 3.23Å
30K98.4Very high96.9Very high30 Ų3059.8 Ų59.813%0.1329%0.293CS..Hα-helixtrans-63.5-43.6178.2-172.563.8-178.1-172.10111.6R26 F27 M28 A32 E33 L34 D375 F403R26-K30 PolarHBondContact O-N 3.47Å; F27-K30 PolarHBondContact O-N 3.18Å; M28-K30 VanDerWaalsContact C-N 3.32Å; M28-K30 PolarHBondContact O-N 3.4Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 3.01Å; K30-E33 IonicContact NZ-OE1 2.84Å; K30-E33 PolarHBondContact NZ-OE1 3.44Å; K30-E33 IonicContact NZ-OE2 2.7Å; K30-E33 WeakPolarHBondContact O-CB 3.37Å; K30-E33 PolarHBondContact O-N 3.4Å; K30-L34 HydrophobicContact CD-CG 4.47Å; K30-L34 HydrophobicContact CG-CD1 4.14Å; K30-L34 HydrophobicContact CG-CG 4.35Å; K30-L34 VanDerWaalsContact O-CG 3.3Å; K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.49Å; K30-D375 WeakPolarHBondContact CE-OD1 3.48Å; K30-D375 IonicContact NZ-OD1 3.91Å; K30-D375 PolarHBondContact NZ-OD1 2.68Å; K30-F403 HydrophobicContact CB-CD1 4.06Å; K30-F403 HydrophobicContact CB-CE1 4.33Å; K30-F403 HydrophobicContact CB-CG 4.26Å; K30-F403 HydrophobicContact CG-CD1 3.91Å; K30-F403 HydrophobicContact CG-CD2 3.9Å; K30-F403 HydrophobicContact CG-CE1 3.88Å; K30-F403 HydrophobicContact CG-CE2 3.9Å; K30-F403 HydrophobicContact CG-CG 3.92Å; K30-F403 HydrophobicContact CG-CZ 3.88Å
31T98.7Very high97.3Very high0 Ų060 Ų600%029%0.287CS..Hα-helixtrans-57.1-44.2174.9-52.10000111.7F27 M28 L34 K35 A67 F73 W80 L400 F403 A404F27-T31 PolarHBondContact O-N 3.28Å; F27-T31 PolarHBondContact O-OG1 2.7Å; M28-T31 PolarHBondContact O-N 3.44Å; T31-L34 PolarHBondContact O-N 3.02Å; T31-K35 WeakPolarHBondContact O-CB 3.46Å; T31-K35 PolarHBondContact O-N 3.19Å; T31-A67 HydrophobicContact CG2-CB 4.41Å; T31-F73 VanDerWaalsContact CB-CZ 3.41Å; T31-F73 HydrophobicContact CG2-CE1 4.01Å; T31-F73 HydrophobicContact CG2-CE2 3.94Å; T31-F73 HydrophobicContact CG2-CZ 3.5Å; T31-F73 VanDerWaalsContact CG2-CZ 3.5Å; T31-W80 HydrophobicContact CG2-CH2 3.88Å; T31-W80 HydrophobicContact CG2-CZ3 4.18Å; T31-L400 HydrophobicContact CG2-CD2 3.93Å; T31-L400 HydrophobicContact CG2-CG 3.91Å; T31-F403 VanDerWaalsContact OG1-CB 3.28Å; T31-F403 WeakPolarHBondContact OG1-CB 3.21Å; T31-F403 PolarHBondContact OG1-O 2.79Å; T31-A404 HydrophobicContact CG2-CB 3.8Å; T31-A404 PolarHBondContact OG1-N 3.36Å; T31-A404 VanDerWaalsContact OG1-N 3.17Å
32A98.5Very high97.6Very high30 Ų3058.8 Ų58.825%0.24828%0.281CS..Hα-helixtrans-65.7-38.9177.600000112.8M28 R29 K30 K35 R36M28-A32 PolarHBondContact O-N 3.36Å; M28-A32 VanDerWaalsContact O-N 3.17Å; R29-A32 PolarHBondContact O-N 2.97Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 3.01Å; A32-K35 PolarHBondContact O-N 2.69Å; A32-R36 WeakPolarHBondContact O-CG 3.33Å; A32-R36 PolarHBondContact O-N 2.84Å; A32-R36 VanDerWaalsContact O-N 3.1Å
33E98.5Very high97.8Very high83 Ų8359.6 Ų59.639%0.38829%0.289SS..Hα-helixtrans-62.1-46.7173.2-178-162.2129.600112.1R29 K30 K35 R36 T37R29-E33 PolarHBondContact O-N 3.23Å; K30-E33 IonicContact NZ-OE1 2.84Å; K30-E33 PolarHBondContact NZ-OE1 3.44Å; K30-E33 IonicContact NZ-OE2 2.7Å; K30-E33 WeakPolarHBondContact O-CB 3.37Å; K30-E33 PolarHBondContact O-N 3.4Å; E33-K35 PolarHBondContact O-N 3.3Å; E33-R36 PolarHBondContact O-N 2.92Å; E33-T37 PolarHBondContact O-N 2.89Å; E33-T37 PolarHBondContact O-OG1 3.41Å
34L98.8Very high97.9Very high5 Ų558 Ų583%0.02629%0.286CS..Hα-helixtrans-62.6-42.5177.6-68.4175.6000111K30 T31 R36 T37 C38 L396 A399 L400 F403K30-L34 HydrophobicContact CD-CG 4.47Å; K30-L34 HydrophobicContact CG-CD1 4.14Å; K30-L34 HydrophobicContact CG-CG 4.35Å; K30-L34 VanDerWaalsContact O-CG 3.3Å; K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.49Å; T31-L34 PolarHBondContact O-N 3.02Å; L34-R36 PolarHBondContact O-N 3.43Å; L34-T37 PolarHBondContact O-N 3.41Å; L34-C38 WeakPolarHBondContact O-CB 3.45Å; L34-C38 PolarHBondContact O-N 3.46Å; L34-C38 PolarHBondContact O-SG 3.03Å; L34-L396 HydrophobicContact CD2-CB 4.23Å; L34-L396 HydrophobicContact CD2-CD1 4.42Å; L34-L396 HydrophobicContact CD2-CD2 3.78Å; L34-L396 HydrophobicContact CD2-CG 4.36Å; L34-A399 HydrophobicContact CD1-CB 4.2Å; L34-L400 HydrophobicContact CB-CB 4.05Å; L34-L400 HydrophobicContact CB-CD1 4.31Å; L34-L400 HydrophobicContact CB-CG 4.31Å; L34-L400 HydrophobicContact CD1-CB 4.25Å; L34-F403 HydrophobicContact CD1-CD2 3.56Å; L34-F403 HydrophobicContact CD1-CE2 4.08Å; L34-F403 HydrophobicContact CD1-CG 4.43Å
35K98.5Very high97.9Very high11 Ų1157.1 Ų57.15%0.04829%0.287CS..Hα-helixtrans-54.5-52.3173.7-177.1-93.2-178.4-176.70111.2T31 A32 E33 T37 C38 V39 L64 E79 W80 D83 L400T31-K35 WeakPolarHBondContact O-CB 3.46Å; T31-K35 PolarHBondContact O-N 3.19Å; A32-K35 PolarHBondContact O-N 2.69Å; E33-K35 PolarHBondContact O-N 3.3Å; K35-T37 VanDerWaalsContact C-N 3.33Å; K35-T37 PolarHBondContact O-N 3.02Å; K35-C38 PolarHBondContact O-N 3.07Å; K35-V39 HydrophobicContact CD-CG2 4.39Å; K35-V39 HydrophobicContact CG-CG2 4.46Å; K35-V39 WeakPolarHBondContact O-CB 3.25Å; K35-V39 WeakPolarHBondContact O-CG2 3.39Å; K35-V39 PolarHBondContact O-N 3.02Å; K35-L64 HydrophobicContact CB-CD2 4.3Å; K35-L64 HydrophobicContact CG-CD2 3.53Å; K35-E79 IonicContact NZ-OE1 2.98Å; K35-E79 PolarHBondContact NZ-OE1 2.87Å; K35-W80 HydrophobicContact CB-CH2 4.26Å; K35-W80 HydrophobicContact CB-CZ2 4.11Å; K35-W80 HydrophobicContact CD-CZ2 4.5Å; K35-W80 HydrophobicContact CG-CD2 4.16Å; K35-W80 HydrophobicContact CG-CH2 4.46Å; K35-W80 HydrophobicContact CG-CZ2 4.06Å; K35-D83 VanDerWaalsContact CE-OD2 3.27Å; K35-D83 WeakPolarHBondContact CE-OD2 3.31Å; K35-D83 IonicContact NZ-OD2 2.8Å; K35-D83 PolarHBondContact NZ-OD2 3.18Å; K35-L400 HydrophobicContact CB-CD1 3.96Å
36R98.6Very high97.6Very high169 Ų16961.2 Ų61.264%0.63830%0.295SS*.Hα-helixtrans-59.6-43.9179.1-71.5-172.6-61.5-138.11.7111.7A32 E33 L34 S40A32-R36 WeakPolarHBondContact O-CG 3.33Å; A32-R36 PolarHBondContact O-N 2.84Å; A32-R36 VanDerWaalsContact O-N 3.1Å; E33-R36 PolarHBondContact O-N 2.92Å; L34-R36 PolarHBondContact O-N 3.43Å; R36-S40 VanDerWaalsContact O-CB 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.45Å; R36-S40 PolarHBondContact O-N 2.87Å; R36-S40 VanDerWaalsContact O-N 3.08Å; R36-S40 PolarHBondContact O-OG 2.73Å
37T98.6Very high97.4Very high35 Ų3563.7 Ų63.722%0.21532%0.319CS..Hα-helixtrans-64-50.4179.8-61.10000111.8E33 L34 K35 S40 R41 Y390 L396E33-T37 PolarHBondContact O-N 2.89Å; E33-T37 PolarHBondContact O-OG1 3.41Å; L34-T37 PolarHBondContact O-N 3.41Å; K35-T37 VanDerWaalsContact C-N 3.33Å; K35-T37 PolarHBondContact O-N 3.02Å; T37-S40 PolarHBondContact O-OG 3.29Å; T37-R41 VanDerWaalsContact O-CB 3.28Å; T37-R41 WeakPolarHBondContact O-CB 3.39Å; T37-R41 WeakPolarHBondContact O-CG 3.32Å; T37-R41 PolarHBondContact O-N 3.39Å; T37-Y390 HydrophobicContact CG2-CE1 4.25Å; T37-L396 HydrophobicContact CG2-CD1 3.95Å
38C98.7Very high97.3Very high0 Ų065.7 Ų65.70%033%0.33CS..Hα-helixtrans-61.9-48.9179.9-76.20000112.1L34 K35 S40 R41 F42 L60 L396L34-C38 WeakPolarHBondContact O-CB 3.45Å; L34-C38 PolarHBondContact O-N 3.46Å; L34-C38 PolarHBondContact O-SG 3.03Å; K35-C38 PolarHBondContact O-N 3.07Å; C38-S40 VanDerWaalsContact C-N 3.35Å; C38-S40 PolarHBondContact O-N 3.09Å; C38-R41 PolarHBondContact O-N 2.87Å; C38-F42 WeakPolarHBondContact O-CB 3.35Å; C38-F42 PolarHBondContact O-N 3.28Å; C38-L60 HydrophobicContact CB-CD1 3.54Å; C38-L60 HydrophobicContact CB-CD2 3.85Å; C38-L60 HydrophobicContact CB-CG 4.37Å; C38-L396 VanDerWaalsContact SG-CB 3.53Å
39V98.4Very high97.2Very high27 Ų2762.3 Ų62.316%0.16431%0.313CS..Hα-helixtrans-65.3-38-177.2173.10000112K35 L64K35-V39 HydrophobicContact CD-CG2 4.39Å; K35-V39 HydrophobicContact CG-CG2 4.46Å; K35-V39 WeakPolarHBondContact O-CB 3.25Å; K35-V39 WeakPolarHBondContact O-CG2 3.39Å; K35-V39 PolarHBondContact O-N 3.02Å; V39-L64 HydrophobicContact CG2-CD1 3.82Å
40S97.8Very high96.8Very high90 Ų9058.2 Ų58.263%0.62930%0.304SS*.Hα-helixtrans-76.6-30.1179.559.60000113.6R36 T37 C38R36-S40 VanDerWaalsContact O-CB 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.45Å; R36-S40 PolarHBondContact O-N 2.87Å; R36-S40 VanDerWaalsContact O-N 3.08Å; R36-S40 PolarHBondContact O-OG 2.73Å; T37-S40 PolarHBondContact O-OG 3.29Å; C38-S40 VanDerWaalsContact C-N 3.35Å; C38-S40 PolarHBondContact O-N 3.09Å
41R97.7Very high96.5Very high154 Ų15457.3 Ų57.358%0.58130%0.302SS*.Hα-helixtrans-106.8-2.9-172-59.2-169.5176.7-169.8-2.3115T37 C38 P43 Y390T37-R41 VanDerWaalsContact O-CB 3.28Å; T37-R41 WeakPolarHBondContact O-CB 3.39Å; T37-R41 WeakPolarHBondContact O-CG 3.32Å; T37-R41 PolarHBondContact O-N 3.39Å; C38-R41 PolarHBondContact O-N 2.87Å; R41-P43 WeakPolarHBondContact O-CD 3.21Å; R41-Y390 HydrophobicContact CB-CD1 4.28Å; R41-Y390 HydrophobicContact CB-CD2 4.26Å; R41-Y390 HydrophobicContact CB-CE1 3.72Å; R41-Y390 HydrophobicContact CB-CE2 3.68Å; R41-Y390 VanDerWaalsContact CD-OH 3.27Å; R41-Y390 WeakPolarHBondContact CD-OH 3.29Å; R41-Y390 HydrophobicContact CG-CE1 4.48Å; R41-Y390 WeakPolarHBondContact O-CD2 3.33Å; R41-Y390 VanDerWaalsContact O-CE2 3.27Å; R41-Y390 WeakPolarHBondContact O-CE2 3.42Å
42F97.2Very high96.4Very high11 Ų1157.3 Ų57.35%0.04830%0.303CS..  trans-112.181.4179.1-157.3-170.9000112.4C38 N48 V55 V57 L60 Y390C38-F42 WeakPolarHBondContact O-CB 3.35Å; C38-F42 PolarHBondContact O-N 3.28Å; F42-N48 HydrophobicContact CD2-CB 4.18Å; F42-N48 HydrophobicContact CE2-CB 3.62Å; F42-N48 VanDerWaalsContact CE2-CG 3.4Å; F42-N48 HydrophobicContact CZ-CB 4.33Å; F42-V55 WeakPolarHBondContact CZ-O 3.36Å; F42-V57 HydrophobicContact CD1-CG1 4.16Å; F42-V57 HydrophobicContact CD2-CG1 4.19Å; F42-V57 HydrophobicContact CE1-CG1 4.09Å; F42-V57 HydrophobicContact CE2-CG1 4.15Å; F42-V57 HydrophobicContact CG-CG1 4.2Å; F42-V57 HydrophobicContact CZ-CG1 4.08Å; F42-L60 HydrophobicContact CB-CD2 4.19Å; F42-L60 HydrophobicContact CD1-CB 4.21Å; F42-L60 HydrophobicContact CD1-CD2 3.96Å; F42-Y390 HydrophobicContact CB-CD2 4.13Å; F42-Y390 HydrophobicContact CB-CG 4.15Å; F42-Y390 WeakPolarHBondContact CD1-O 3.15Å; F42-Y390 HydrophobicContact CD2-CD2 4.42Å; F42-Y390 HydrophobicContact CG-CD2 4.34Å; F42-Y390 HydrophobicContact CG-CG 4.43Å
43P96.1Very high96.3Very high73 Ų7355.9 Ų55.947%0.47429%0.291SS..  trans-68.8149.3-17528.4-35.3000111.9R41 T45 N48R41-P43 WeakPolarHBondContact O-CD 3.21Å; P43-T45 HydrophobicContact CB-CG2 4.14Å; P43-T45 HydrophobicContact CG-CG2 4.05Å; P43-T45 PolarHBondContact O-N 3.3Å; P43-N48 WeakPolarHBondContact O-CB 3.39Å; P43-N48 PolarHBondContact O-ND2 3.38Å
44T96.3Very high96.3Very high60 Ų6053.1 Ų53.137%0.36828%0.277SS..  trans-80.655.2178.657.30000112.1L87 A90T44-L87 HydrophobicContact CG2-CD2 3.82Å; T44-A90 HydrophobicContact CG2-CB 3.64Å
45T95.7Very high96.3Very high61 Ų6154.3 Ų54.337%0.37429%0.285SS..  trans-74.9157.8172.7680000110.1P43 S47 N48 C49P43-T45 HydrophobicContact CB-CG2 4.14Å; P43-T45 HydrophobicContact CG-CG2 4.05Å; P43-T45 PolarHBondContact O-N 3.3Å; T45-S47 PolarHBondContact O-N 2.98Å; T45-N48 PolarHBondContact O-N 3.03Å; T45-N48 VanDerWaalsContact O-N 3.12Å; T45-N48 VanDerWaalsContact OG1-CG 3.3Å; T45-N48 PolarHBondContact OG1-N 3Å; T45-N48 PolarHBondContact OG1-ND2 3Å; T45-C49 PolarHBondContact O-N 2.76Å; T45-C49 PolarHBondContact O-SG 3.35Å; T45-C49 VanDerWaalsContact O-SG 3.33Å
46K92Very high96.2Very high166 Ų16653.8 Ų53.872%0.72228%0.283SS*.THydrogen-bonded Turntrans-53.7-39.7176.5-172.8-179.6179.4-178.10112.4C49 D50 T94K46-C49 CarbonylContact O-C 3.27Å; K46-C49 PolarHBondContact O-N 2.65Å; K46-D50 PolarHBondContact O-N 2.87Å; K46-T94 HydrophobicContact CG-CG2 4.39Å
47S93.1Very high96.2Very high96 Ų9645.8 Ų45.867%0.67125%0.252SS*.THydrogen-bonded Turntrans-62.6-49.4177.4-1730000111.7T45 C49 D50T45-S47 PolarHBondContact O-N 2.98Å; S47-C49 PolarHBondContact O-N 2.65Å; S47-D50 PolarHBondContact O-N 3.11Å
48N95.7Very high96.2Very high42 Ų4244.1 Ų44.123%0.22524%0.242CC..THydrogen-bonded Turntrans-67.8-19.2178.5-66-14.1000112.6F42 P43 T45 G56 V57F42-N48 HydrophobicContact CD2-CB 4.18Å; F42-N48 HydrophobicContact CE2-CB 3.62Å; F42-N48 VanDerWaalsContact CE2-CG 3.4Å; F42-N48 HydrophobicContact CZ-CB 4.33Å; P43-N48 WeakPolarHBondContact O-CB 3.39Å; P43-N48 PolarHBondContact O-ND2 3.38Å; T45-N48 PolarHBondContact O-N 3.03Å; T45-N48 VanDerWaalsContact O-N 3.12Å; T45-N48 VanDerWaalsContact OG1-CG 3.3Å; T45-N48 PolarHBondContact OG1-N 3Å; T45-N48 PolarHBondContact OG1-ND2 3Å; N48-G56 CarbonylContact O-C 3.59Å; N48-G56 WeakPolarHBondContact O-CA 3.5Å; N48-V57 HydrophobicContact CB-CG1 3.84Å; N48-V57 PolarHBondContact O-N 3.35Å
49C94.9Very high96.2Very high2 Ų244.1 Ų44.11%0.01424%0.242CC..THydrogen-bonded Turntrans-87.7-8.2172.3-65.10000114.3T45 K46 S47 H91 T94T45-C49 PolarHBondContact O-N 2.76Å; T45-C49 PolarHBondContact O-SG 3.35Å; T45-C49 VanDerWaalsContact O-SG 3.33Å; K46-C49 CarbonylContact O-C 3.27Å; K46-C49 PolarHBondContact O-N 2.65Å; S47-C49 PolarHBondContact O-N 2.65Å; C49-H91 HydrophobicContact CB-CB 4.44Å; C49-H91 PolarHBondContact O-CD2 3.36Å; C49-H91 PolarHBondContact O-CE1 3.24Å; C49-H91 PolarHBondContact O-ND1 2.84Å; C49-H91 PolarHBondContact O-NE2 3.01Å; C49-T94 HydrophobicContact CB-CG2 4.41Å; C49-T94 WeakPolarHBondContact CB-OG1 3.48Å
50D90.5Very high96.2Very high78 Ų7842.8 Ų42.842%0.41723%0.234SC..THydrogen-bonded Turntrans-88.2-9.8177.9-163.329.1000112.7K46 S47 G52 R101 K104K46-D50 PolarHBondContact O-N 2.87Å; S47-D50 PolarHBondContact O-N 3.11Å; D50-G52 VanDerWaalsContact C-N 3.28Å; D50-G52 PolarHBondContact O-N 3.26Å; D50-R101 IonicContact OD1-NH2 3.42Å; D50-R101 PolarHBondContact OD1-NH2 3.39Å; D50-K104 IonicContact OD1-NZ 3.87Å; D50-K104 PolarHBondContact OD1-NZ 3.25Å
51G92.8Very high96.2Very high10 Ų1038.5 Ų38.510%0.10320%0.204CC..SBendtrans-78.68.5-174.500000117.2Y54 V55 G56G51-Y54 PolarHBondContact O-N 2.6Å; G51-V55 PolarHBondContact O-N 2.71Å; G51-G56 PolarHBondContact O-N 2.9Å
52G95.2Very high96.3Very high1 Ų131.2 Ų31.21%0.0118%0.176CC..THydrogen-bonded Turntrans54.7-144.5-176.700000114.2D50 Y54 G56 L108D50-G52 VanDerWaalsContact C-N 3.28Å; D50-G52 PolarHBondContact O-N 3.26Å; G52-Y54 VanDerWaalsContact C-N 3.34Å; G52-G56 CarbonylContact O-C 3.51Å; G52-G56 VanDerWaalsContact O-CA 3.28Å; G52-G56 WeakPolarHBondContact O-CA 3.4Å; G52-G56 PolarHBondContact O-N 3.41Å; G52-L108 CarbonylContact C-O 3.51Å; G52-L108 WeakPolarHBondContact CA-O 3.32Å
53L98Very high96.4Very high0 Ų030.7 Ų30.70%017%0.174CC..THydrogen-bonded Turntrans-78.7-20.6169.5-59.4-172.9000112.6A58 G59 F107 L108 V114 V117 L417L53-A58 HydrophobicContact CD2-CB 3.8Å; L53-G59 VanDerWaalsContact O-CA 3.28Å; L53-G59 WeakPolarHBondContact O-CA 3.42Å; L53-F107 HydrophobicContact CD1-CD2 4.39Å; L53-F107 HydrophobicContact CD1-CE2 4.15Å; L53-L108 HydrophobicContact CB-CD2 4.45Å; L53-L108 PolarHBondContact N-O 2.86Å; L53-V114 HydrophobicContact CD2-CG2 4.49Å; L53-V117 HydrophobicContact CD1-CG2 4.17Å; L53-V117 HydrophobicContact CD2-CG2 3.53Å; L53-L417 HydrophobicContact CB-CD1 3.96Å; L53-L417 HydrophobicContact CD1-CD1 3.53Å; L53-L417 HydrophobicContact CD1-CD2 4.07Å; L53-L417 HydrophobicContact CD1-CG 4.46Å; L53-L417 HydrophobicContact CG-CD1 4.37Å
54Y98.1Very high96.5Very high25 Ų2527.2 Ų27.210%0.09815%0.152CC..THydrogen-bonded Turntrans-69.6-69-174.9-170.6-103.2000111.8G51 G52 L108 L109 F155 C341 F393 E394G51-Y54 PolarHBondContact O-N 2.6Å; G52-Y54 VanDerWaalsContact C-N 3.34Å; Y54-L108 HydrophobicContact CD2-CD1 4.45Å; Y54-L108 PolarHBondContact N-O 3.49Å; Y54-L109 HydrophobicContact CD1-CD2 4.35Å; Y54-L109 HydrophobicContact CG-CD2 4.32Å; Y54-F155 HydrophobicContact CD1-CE2 4.36Å; Y54-F155 HydrophobicContact CD2-CE1 4.33Å; Y54-F155 AromaticContact CD2-CE2 3.92Å; Y54-F155 HydrophobicContact CD2-CE2 3.92Å; Y54-F155 AromaticContact CD2-CZ 3.69Å; Y54-F155 HydrophobicContact CD2-CZ 3.69Å; Y54-F155 HydrophobicContact CE1-CE2 4.25Å; Y54-F155 HydrophobicContact CE2-CE1 4.19Å; Y54-F155 AromaticContact CE2-CE2 3.75Å; Y54-F155 HydrophobicContact CE2-CE2 3.75Å; Y54-F155 AromaticContact CE2-CZ 3.3Å; Y54-F155 HydrophobicContact CE2-CZ 3.3Å; Y54-F155 HydrophobicContact CG-CE2 4.26Å; Y54-F155 HydrophobicContact CG-CZ 4.47Å; Y54-F155 AromaticContact CZ-CE2 3.94Å; Y54-F155 AromaticContact CZ-CZ 3.83Å; Y54-C341 HydrophobicContact CE2-CB 4.19Å; Y54-C341 PolarHBondContact OH-SG 3.02Å; Y54-F393 HydrophobicContact CD1-CB 4.42Å; Y54-F393 HydrophobicContact CD2-CB 3.34Å; Y54-F393 AromaticContact CD2-CD1 3.53Å; Y54-F393 HydrophobicContact CD2-CD1 3.53Å; Y54-F393 AromaticContact CD2-CD2 3.7Å; Y54-F393 HydrophobicContact CD2-CD2 3.7Å; Y54-F393 HydrophobicContact CD2-CE1 4.21Å; Y54-F393 HydrophobicContact CD2-CE2 4.33Å; Y54-F393 AromaticContact CD2-CG 3.21Å; Y54-F393 HydrophobicContact CD2-CG 3.21Å; Y54-F393 HydrophobicContact CE1-CB 4.36Å; Y54-F393 HydrophobicContact CE2-CB 3.29Å; Y54-F393 AromaticContact CE2-CD1 3.45Å; Y54-F393 HydrophobicContact CE2-CD1 3.45Å; Y54-F393 VanDerWaalsContact CE2-CD1 3.45Å; Y54-F393 HydrophobicContact CE2-CD2 4.37Å; Y54-F393 HydrophobicContact CE2-CE1 4.36Å; Y54-F393 AromaticContact CE2-CG 3.44Å; Y54-F393 HydrophobicContact CE2-CG 3.44Å; Y54-F393 VanDerWaalsContact CE2-CG 3.44Å; Y54-F393 HydrophobicContact CG-CB 3.92Å; Y54-F393 HydrophobicContact CG-CD2 4.31Å; Y54-F393 HydrophobicContact CG-CG 4.08Å; Y54-F393 WeakPolarHBondContact O-CB 3.38Å; Y54-F393 PolarHBondContact O-N 2.87Å; Y54-E394 HydrophobicContact CE1-CG 4.33Å
55V97.6Very high96.6Very high30 Ų3025.4 Ų25.418%0.18214%0.138CC..THydrogen-bonded Turntrans-112.1-4.3-177.4-74.50000113.4F42 G51 S388 S391 E394F42-V55 WeakPolarHBondContact CZ-O 3.36Å; G51-V55 PolarHBondContact O-N 2.71Å; V55-S388 WeakPolarHBondContact CB-OG 3.28Å; V55-S388 WeakPolarHBondContact CG1-OG 3.45Å; V55-S391 VanDerWaalsContact CA-CB 3.5Å; V55-S391 WeakPolarHBondContact O-CB 3.27Å; V55-E394 VanDerWaalsContact CG1-CD 3.5Å; V55-E394 HydrophobicContact CG1-CG 3.76Å
56G97.2Very high96.8Very high0 Ų023 Ų230%012%0.122CC..SBendtrans-91.6169.9-174.500000115.5N48 G51 G52 A58 G59N48-G56 CarbonylContact O-C 3.59Å; N48-G56 WeakPolarHBondContact O-CA 3.5Å; G51-G56 PolarHBondContact O-N 2.9Å; G52-G56 CarbonylContact O-C 3.51Å; G52-G56 VanDerWaalsContact O-CA 3.28Å; G52-G56 WeakPolarHBondContact O-CA 3.4Å; G52-G56 PolarHBondContact O-N 3.41Å; G56-A58 PolarHBondContact O-N 3.02Å; G56-G59 PolarHBondContact O-N 3.32Å
57V98.3Very high97.1Very high0 Ų015.1 Ų15.10%09%0.088CC..Hα-helixtrans-62.2-22178.6-62.30000113.9F42 N48 G59 L60 G61 L87 H91F42-V57 HydrophobicContact CD1-CG1 4.16Å; F42-V57 HydrophobicContact CD2-CG1 4.19Å; F42-V57 HydrophobicContact CE1-CG1 4.09Å; F42-V57 HydrophobicContact CE2-CG1 4.15Å; F42-V57 HydrophobicContact CG-CG1 4.2Å; F42-V57 HydrophobicContact CZ-CG1 4.08Å; N48-V57 HydrophobicContact CB-CG1 3.84Å; N48-V57 PolarHBondContact O-N 3.35Å; V57-G59 VanDerWaalsContact C-N 3.31Å; V57-L60 PolarHBondContact O-N 2.96Å; V57-G61 PolarHBondContact O-N 2.94Å; V57-L87 HydrophobicContact CB-CD2 4.23Å; V57-H91 HydrophobicContact CG2-CB 4.04Å
58A98.4Very high97.3Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-69.2-31.8175.500000111.5L53 G56 G61 Y62 H91 V114L53-A58 HydrophobicContact CD2-CB 3.8Å; G56-A58 PolarHBondContact O-N 3.02Å; A58-G61 CarbonylContact O-C 3.51Å; A58-G61 WeakPolarHBondContact O-CA 3.21Å; A58-G61 PolarHBondContact O-N 3.5Å; A58-Y62 PolarHBondContact O-N 3.41Å; A58-H91 HydrophobicContact CB-CB 4.28Å; A58-H91 WeakPolarHBondContact CB-ND1 3.29Å; A58-V114 HydrophobicContact CB-CB 4.46Å; A58-V114 HydrophobicContact CB-CG1 4.04Å; A58-V114 HydrophobicContact CB-CG2 4Å
59G98.7Very high97.4Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-63.7-38.7170.700000112.6L53 G56 V57 Y62 S63L53-G59 VanDerWaalsContact O-CA 3.28Å; L53-G59 WeakPolarHBondContact O-CA 3.42Å; G56-G59 PolarHBondContact O-N 3.32Å; V57-G59 VanDerWaalsContact C-N 3.31Å; G59-Y62 PolarHBondContact O-N 3.24Å; G59-S63 PolarHBondContact O-N 3.39Å; G59-S63 PolarHBondContact O-OG 2.81Å
60L98.8Very high97.5Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-64.3-43.7170175.958.9000110.8C38 F42 V57 Y62 S63 L64 L87 A397C38-L60 HydrophobicContact CB-CD1 3.54Å; C38-L60 HydrophobicContact CB-CD2 3.85Å; C38-L60 HydrophobicContact CB-CG 4.37Å; F42-L60 HydrophobicContact CB-CD2 4.19Å; F42-L60 HydrophobicContact CD1-CB 4.21Å; F42-L60 HydrophobicContact CD1-CD2 3.96Å; V57-L60 PolarHBondContact O-N 2.96Å; L60-Y62 VanDerWaalsContact C-N 3.3Å; L60-Y62 PolarHBondContact O-N 3.45Å; L60-S63 WeakPolarHBondContact O-CB 3.24Å; L60-S63 PolarHBondContact O-N 3.09Å; L60-L64 HydrophobicContact CD1-CD2 4.25Å; L60-L64 HydrophobicContact CD1-CG 4.21Å; L60-L64 WeakPolarHBondContact O-CG 3.47Å; L60-L64 PolarHBondContact O-N 2.93Å; L60-L87 HydrophobicContact CB-CD1 4.26Å; L60-L87 HydrophobicContact CD2-CD1 3.76Å; L60-L87 HydrophobicContact CD2-CD2 4.48Å; L60-L87 HydrophobicContact CG-CD1 3.7Å; L60-A397 HydrophobicContact CB-CB 4.43Å; L60-A397 HydrophobicContact CD1-CB 3.78Å
61G98.9Very high97.8Very high0 Ų012.9 Ų12.90%07%0.071CC..Hα-helixtrans-54.8-44173.800000113V57 A58 L64 W65 A84V57-G61 PolarHBondContact O-N 2.94Å; A58-G61 CarbonylContact O-C 3.51Å; A58-G61 WeakPolarHBondContact O-CA 3.21Å; A58-G61 PolarHBondContact O-N 3.5Å; G61-L64 PolarHBondContact O-N 3.43Å; G61-W65 PolarHBondContact O-N 2.99Å; G61-A84 WeakPolarHBondContact O-CB 3.32Å
62Y98.9Very high98.1Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-60.8-45.1172.4175.7-93.9000112.1A58 G59 L60 L64 W65 Y66 V117 L392 P416 L417A58-Y62 PolarHBondContact O-N 3.41Å; G59-Y62 PolarHBondContact O-N 3.24Å; L60-Y62 VanDerWaalsContact C-N 3.3Å; L60-Y62 PolarHBondContact O-N 3.45Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.34Å; Y62-W65 HydrophobicContact CD2-CE3 4.05Å; Y62-W65 HydrophobicContact CD2-CZ3 4.44Å; Y62-W65 AromaticContact CE2-CE3 3.87Å; Y62-W65 HydrophobicContact CE2-CE3 3.87Å; Y62-W65 AromaticContact CE2-CZ3 3.81Å; Y62-W65 HydrophobicContact CE2-CZ3 3.81Å; Y62-W65 WeakPolarHBondContact O-CB 3.22Å; Y62-W65 PolarHBondContact O-N 3.23Å; Y62-Y66 HydrophobicContact CE1-CD2 4.36Å; Y62-Y66 HydrophobicContact CE1-CG 4.41Å; Y62-Y66 WeakPolarHBondContact O-CB 3.4Å; Y62-Y66 PolarHBondContact O-N 3.37Å; Y62-V117 HydrophobicContact CD2-CG2 4.04Å; Y62-V117 HydrophobicContact CG-CG2 4.43Å; Y62-L392 HydrophobicContact CD1-CD2 3.85Å; Y62-P416 HydrophobicContact CE1-CB 3.83Å; Y62-L417 HydrophobicContact CD1-CD1 4.46Å; Y62-L417 HydrophobicContact CD1-CD2 4.48Å; Y62-L417 HydrophobicContact CD1-CG 4.23Å; Y62-L417 HydrophobicContact CD2-CD2 3.75Å; Y62-L417 HydrophobicContact CD2-CG 4.38Å; Y62-L417 HydrophobicContact CE1-CD2 4.21Å; Y62-L417 HydrophobicContact CE1-CG 3.92Å; Y62-L417 HydrophobicContact CE2-CD2 3.38Å; Y62-L417 HydrophobicContact CE2-CG 4.03Å; Y62-L417 HydrophobicContact CG-CD2 4.26Å; Y62-L417 HydrophobicContact CG-CG 4.44Å; Y62-L417 PolarHBondContact OH-N 3.47Å
63S98.9Very high98.2Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-59.5-41.4-179-51.60000111.7G59 L60 Y66 A67 L392 A397G59-S63 PolarHBondContact O-N 3.39Å; G59-S63 PolarHBondContact O-OG 2.81Å; L60-S63 WeakPolarHBondContact O-CB 3.24Å; L60-S63 PolarHBondContact O-N 3.09Å; S63-Y66 PolarHBondContact O-N 3.06Å; S63-A67 WeakPolarHBondContact O-CB 3.48Å; S63-A67 PolarHBondContact O-N 3.33Å; S63-L392 WeakPolarHBondContact OG-CD1 3.32Å; S63-A397 VanDerWaalsContact OG-CB 3.28Å; S63-A397 WeakPolarHBondContact OG-CB 3.43Å; S63-A397 PolarHBondContact OG-O 3.29Å
64L98.9Very high98.1Very high0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-67.8-43.7176.4-62.1-173.3000112K35 V39 L60 G61 Y62 Y66 A68 D83 A84 L87 L400K35-L64 HydrophobicContact CB-CD2 4.3Å; K35-L64 HydrophobicContact CG-CD2 3.53Å; V39-L64 HydrophobicContact CG2-CD1 3.82Å; L60-L64 HydrophobicContact CD1-CD2 4.25Å; L60-L64 HydrophobicContact CD1-CG 4.21Å; L60-L64 WeakPolarHBondContact O-CG 3.47Å; L60-L64 PolarHBondContact O-N 2.93Å; G61-L64 PolarHBondContact O-N 3.43Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.34Å; L64-Y66 VanDerWaalsContact C-N 3.34Å; L64-Y66 PolarHBondContact O-N 3.24Å; L64-A68 WeakPolarHBondContact O-CB 3Å; L64-A68 PolarHBondContact O-N 3.18Å; L64-D83 HydrophobicContact CD1-CB 3.7Å; L64-A84 HydrophobicContact CB-CB 4.04Å; L64-L87 HydrophobicContact CD1-CD1 3.97Å; L64-L400 HydrophobicContact CD2-CD1 4.08Å
65W98.7Very high98Very high23 Ų2321.8 Ų21.89%0.08713%0.13CC..Hα-helixtrans-58-47.7173.2170.987.9000111.3G61 Y62 A68 Q69 L81 L120 L121 K171G61-W65 PolarHBondContact O-N 2.99Å; Y62-W65 HydrophobicContact CD2-CE3 4.05Å; Y62-W65 HydrophobicContact CD2-CZ3 4.44Å; Y62-W65 AromaticContact CE2-CE3 3.87Å; Y62-W65 HydrophobicContact CE2-CE3 3.87Å; Y62-W65 AromaticContact CE2-CZ3 3.81Å; Y62-W65 HydrophobicContact CE2-CZ3 3.81Å; Y62-W65 WeakPolarHBondContact O-CB 3.22Å; Y62-W65 PolarHBondContact O-N 3.23Å; W65-A68 PolarHBondContact O-N 3.49Å; W65-Q69 VanDerWaalsContact CE2-NE2 3.27Å; W65-Q69 HydrophobicContact CH2-CG 4.45Å; W65-Q69 HydrophobicContact CZ2-CG 4.19Å; W65-Q69 WeakPolarHBondContact O-CG 3.44Å; W65-Q69 PolarHBondContact O-N 3.26Å; W65-L81 HydrophobicContact CB-CD2 4.33Å; W65-L81 HydrophobicContact CG-CD2 4.41Å; W65-L120 HydrophobicContact CD2-CB 4.32Å; W65-L120 HydrophobicContact CD2-CD1 4.1Å; W65-L120 HydrophobicContact CE3-CD1 4.09Å; W65-L120 HydrophobicContact CG-CB 4.48Å; W65-L120 HydrophobicContact CH2-CD1 4.1Å; W65-L120 HydrophobicContact CH2-CD2 4.23Å; W65-L120 HydrophobicContact CZ2-CB 4.36Å; W65-L120 HydrophobicContact CZ2-CD1 4.04Å; W65-L120 HydrophobicContact CZ2-CD2 3.72Å; W65-L120 HydrophobicContact CZ2-CG 4.27Å; W65-L120 HydrophobicContact CZ3-CD1 4.1Å; W65-L121 HydrophobicContact CB-CD2 4.15Å; W65-L121 HydrophobicContact CG-CD2 4.41Å; W65-K171 HydrophobicContact CH2-CB 4.44Å; W65-K171 HydrophobicContact CH2-CD 3.61Å; W65-K171 HydrophobicContact CH2-CG 4.18Å; W65-K171 HydrophobicContact CZ3-CD 4.06Å
66Y98.6Very high98Very high11 Ų1124.8 Ų24.84%0.04314%0.142CC..Hα-helixtrans-61.3-50.5-176.9-179-96.1000111.3Y62 S63 L64 A68 Q69 K70 C401 D405 E414Y62-Y66 HydrophobicContact CE1-CD2 4.36Å; Y62-Y66 HydrophobicContact CE1-CG 4.41Å; Y62-Y66 WeakPolarHBondContact O-CB 3.4Å; Y62-Y66 PolarHBondContact O-N 3.37Å; S63-Y66 PolarHBondContact O-N 3.06Å; L64-Y66 VanDerWaalsContact C-N 3.34Å; L64-Y66 PolarHBondContact O-N 3.24Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.09Å; Y66-Q69 WeakPolarHBondContact O-CB 3.33Å; Y66-Q69 PolarHBondContact O-N 2.98Å; Y66-Q69 VanDerWaalsContact O-N 3.13Å; Y66-K70 PolarHBondContact OH-NZ 3.35Å; Y66-C401 HydrophobicContact CD1-CB 4.02Å; Y66-C401 HydrophobicContact CE1-CB 4.2Å; Y66-D405 VanDerWaalsContact OH-CG 3.23Å; Y66-D405 PolarHBondContact OH-OD1 3.39Å; Y66-D405 PolarHBondContact OH-OD2 3.33Å; Y66-E414 HydrophobicContact CE2-CB 4.43Å; Y66-E414 PolarHBondContact OH-N 3.32Å; Y66-E414 VanDerWaalsContact OH-N 3.14Å; Y66-E414 PolarHBondContact OH-O 3.31Å
67A98.6Very high98Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-68.2-32-179.800000112.6T31 S63 Q69 K70 F73 W80 L400 A404T31-A67 HydrophobicContact CG2-CB 4.41Å; S63-A67 WeakPolarHBondContact O-CB 3.48Å; S63-A67 PolarHBondContact O-N 3.33Å; A67-Q69 PolarHBondContact O-N 3.36Å; A67-Q69 VanDerWaalsContact O-N 3.16Å; A67-K70 WeakPolarHBondContact O-CB 3.24Å; A67-K70 PolarHBondContact O-N 3.28Å; A67-F73 WeakPolarHBondContact O-CD2 3.44Å; A67-W80 HydrophobicContact CB-CE3 4.11Å; A67-W80 HydrophobicContact CB-CZ3 3.56Å; A67-L400 HydrophobicContact CB-CD2 3.57Å; A67-A404 HydrophobicContact CB-CB 3.6Å
68A98.3Very high98Very high0 Ų032.4 Ų32.40%019%0.187CC..THydrogen-bonded Turntrans-65.7-13173.700000114L64 W65 Y66 Q74 K77 W80 L81L64-A68 WeakPolarHBondContact O-CB 3Å; L64-A68 PolarHBondContact O-N 3.18Å; W65-A68 PolarHBondContact O-N 3.49Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.09Å; A68-Q74 PolarHBondContact O-NE2 3.06Å; A68-Q74 VanDerWaalsContact O-NE2 3.08Å; A68-K77 HydrophobicContact CB-CG 4.31Å; A68-W80 HydrophobicContact CB-CB 4.16Å; A68-L81 HydrophobicContact CB-CD2 4.22Å; A68-L81 HydrophobicContact CB-CG 4.36Å
69Q96.6Very high98Very high77 Ų7736.9 Ų36.936%0.3621%0.207SC..THydrogen-bonded Turntrans-83.4-14.4171.6-51.9-50.7-0.900113.8W65 Y66 A67 K77W65-Q69 VanDerWaalsContact CE2-NE2 3.27Å; W65-Q69 HydrophobicContact CH2-CG 4.45Å; W65-Q69 HydrophobicContact CZ2-CG 4.19Å; W65-Q69 WeakPolarHBondContact O-CG 3.44Å; W65-Q69 PolarHBondContact O-N 3.26Å; Y66-Q69 WeakPolarHBondContact O-CB 3.33Å; Y66-Q69 PolarHBondContact O-N 2.98Å; Y66-Q69 VanDerWaalsContact O-N 3.13Å; A67-Q69 PolarHBondContact O-N 3.36Å; A67-Q69 VanDerWaalsContact O-N 3.16Å; Q69-K77 VanDerWaalsContact OE1-NZ 3.15Å
70K97.7Very high98Very high19 Ų1937.1 Ų37.18%0.08321%0.208CC..SBendtrans-76.2148-179.5-50.4-64.1163.7171.50110.6Y66 A67 P72 F73 Q74 A404 D405 D408Y66-K70 PolarHBondContact OH-NZ 3.35Å; A67-K70 WeakPolarHBondContact O-CB 3.24Å; A67-K70 PolarHBondContact O-N 3.28Å; K70-P72 VanDerWaalsContact C-N 3.34Å; K70-F73 HydrophobicContact CB-CD2 4.06Å; K70-F73 HydrophobicContact CB-CE2 4.49Å; K70-F73 PolarHBondContact O-N 2.66Å; K70-Q74 PolarHBondContact O-NE2 3.45Å; K70-A404 HydrophobicContact CG-CB 4.21Å; K70-D405 WeakPolarHBondContact CE-OD1 3.48Å; K70-D405 IonicContact NZ-OD1 3.55Å; K70-D405 PolarHBondContact NZ-OD1 3.15Å; K70-D408 WeakPolarHBondContact CA-OD2 3.32Å; K70-D408 HydrophobicContact CB-CB 4.17Å; K70-D408 WeakPolarHBondContact CB-OD2 3.38Å; K70-D408 HydrophobicContact CD-CB 4.37Å
71S97.8Very high98Very high75 Ų7538.7 Ų38.752%0.52422%0.217SC..G310 helixtrans-57.2-37.5-176.372.80000113.8F73 D408S71-F73 VanDerWaalsContact C-N 3.28Å; S71-F73 PolarHBondContact O-N 3.03Å; S71-D408 PolarHBondContact N-OD2 2.94Å; S71-D408 PolarHBondContact OG-OD1 2.87Å
72P97.4Very high98Very high34 Ų3445.1 Ų45.122%0.22125%0.247CC..G310 helixtrans-70.3-19.2-177.9-20.235.2000114.6M28 K70 S407 D408M28-P72 HydrophobicContact CG-CB 3.97Å; M28-P72 HydrophobicContact SD-CB 3.74Å; K70-P72 VanDerWaalsContact C-N 3.34Å; P72-S407 VanDerWaalsContact CG-O 3.29Å; P72-S407 WeakPolarHBondContact CG-O 3.35Å; P72-D408 HydrophobicContact CG-CB 4.41Å
73F97.6Very high98Very high3 Ų346.3 Ų46.31%0.01325%0.253CS..G310 helixtrans-103.99.8-174.5-54.9-73.8000114.1M28 T31 A67 K70 S71 A75 H76 K77 W80 A404 S407M28-F73 HydrophobicContact CB-CZ 4.39Å; M28-F73 HydrophobicContact CG-CE1 3.74Å; M28-F73 HydrophobicContact CG-CZ 3.85Å; T31-F73 VanDerWaalsContact CB-CZ 3.41Å; T31-F73 HydrophobicContact CG2-CE1 4.01Å; T31-F73 HydrophobicContact CG2-CE2 3.94Å; T31-F73 HydrophobicContact CG2-CZ 3.5Å; T31-F73 VanDerWaalsContact CG2-CZ 3.5Å; A67-F73 WeakPolarHBondContact O-CD2 3.44Å; K70-F73 HydrophobicContact CB-CD2 4.06Å; K70-F73 HydrophobicContact CB-CE2 4.49Å; K70-F73 PolarHBondContact O-N 2.66Å; S71-F73 VanDerWaalsContact C-N 3.28Å; S71-F73 PolarHBondContact O-N 3.03Å; F73-A75 PolarHBondContact O-N 3.21Å; F73-H76 CarbonylContact O-C 3.59Å; F73-H76 PolarHBondContact O-N 3.24Å; F73-K77 PolarHBondContact O-N 2.89Å; F73-K77 VanDerWaalsContact O-N 3.09Å; F73-W80 HydrophobicContact CB-CZ3 4.45Å; F73-W80 AromaticContact CD1-CH2 3.37Å; F73-W80 HydrophobicContact CD1-CH2 3.37Å; F73-W80 AromaticContact CD1-CZ2 3.77Å; F73-W80 HydrophobicContact CD1-CZ2 3.77Å; F73-W80 HydrophobicContact CD1-CZ3 4.03Å; F73-W80 HydrophobicContact CD2-CH2 4.49Å; F73-W80 HydrophobicContact CD2-CZ3 4.47Å; F73-W80 AromaticContact CE1-CH2 3.64Å; F73-W80 HydrophobicContact CE1-CH2 3.64Å; F73-W80 HydrophobicContact CE1-CZ2 4.22Å; F73-W80 HydrophobicContact CE1-CZ3 4.48Å; F73-W80 AromaticContact CG-CH2 3.87Å; F73-W80 HydrophobicContact CG-CH2 3.87Å; F73-W80 HydrophobicContact CG-CZ2 4.47Å; F73-W80 HydrophobicContact CG-CZ3 4.05Å; F73-W80 HydrophobicContact CZ-CH2 4.35Å; F73-A404 HydrophobicContact CE2-CB 4.03Å; F73-S407 WeakPolarHBondContact CE2-OG 3.42Å
74Q96.6Very high98Very high90 Ų9046.3 Ų46.342%0.42125%0.253SS..G310 helixtrans-57.4-36.1-179.5-68.1-49.8-62.900113A68 K70 H76 K77A68-Q74 PolarHBondContact O-NE2 3.06Å; A68-Q74 VanDerWaalsContact O-NE2 3.08Å; K70-Q74 PolarHBondContact O-NE2 3.45Å; Q74-H76 PolarHBondContact O-N 3.22Å; Q74-K77 VanDerWaalsContact O-CB 3.28Å; Q74-K77 WeakPolarHBondContact O-CB 3.46Å; Q74-K77 PolarHBondContact O-N 3.45Å
75A96.7Very high98Very high96 Ų9650.3 Ų50.379%0.79327%0.27SS*.G310 helixtrans-64-27176.500000113.7F73F73-A75 PolarHBondContact O-N 3.21Å
76H96.1Very high98Very high93 Ų9354.6 Ų54.643%0.43129%0.287SS..G310 helixtrans-103.12.5-179.4-56.292000112.8F73 Q74 S78 E79 W80F73-H76 CarbonylContact O-C 3.59Å; F73-H76 PolarHBondContact O-N 3.24Å; Q74-H76 PolarHBondContact O-N 3.22Å; H76-S78 VanDerWaalsContact C-N 3.33Å; H76-S78 PolarHBondContact O-N 3Å; H76-E79 IonicContact CD2-OE2 2.66Å; H76-E79 PolarHBondContact O-N 3.45Å; H76-W80 HydrophobicContact CB-CG 4.4Å; H76-W80 VanDerWaalsContact O-CD1 3.22Å; H76-W80 PolarHBondContact O-N 3.11Å
77K98Very high98Very high64 Ų6454.1 Ų54.128%0.27829%0.285SS..Hα-helixtrans-54.6-46.3-171.3-179.8167.4-171.2166.40112.4A68 Q69 F73 Q74 W80 L81A68-K77 HydrophobicContact CB-CG 4.31Å; Q69-K77 VanDerWaalsContact OE1-NZ 3.15Å; F73-K77 PolarHBondContact O-N 2.89Å; F73-K77 VanDerWaalsContact O-N 3.09Å; Q74-K77 VanDerWaalsContact O-CB 3.28Å; Q74-K77 WeakPolarHBondContact O-CB 3.46Å; Q74-K77 PolarHBondContact O-N 3.45Å; K77-W80 PolarHBondContact O-N 3.34Å; K77-L81 HydrophobicContact CG-CD1 3.72Å; K77-L81 HydrophobicContact CG-CG 4.26Å; K77-L81 WeakPolarHBondContact O-CB 3.38Å; K77-L81 WeakPolarHBondContact O-CG 3.47Å; K77-L81 PolarHBondContact O-N 2.81Å
78S98.3Very high97.9Very high95 Ų9554.1 Ų54.166%0.66429%0.285SS*.Hα-helixtrans-60.8-49.3-179.1-1690000112.1H76 W80 L81 E82H76-S78 VanDerWaalsContact C-N 3.33Å; H76-S78 PolarHBondContact O-N 3Å; S78-W80 VanDerWaalsContact C-N 3.35Å; S78-W80 PolarHBondContact O-N 3.15Å; S78-L81 PolarHBondContact O-N 3.44Å; S78-E82 WeakPolarHBondContact O-CB 3.31Å; S78-E82 PolarHBondContact O-N 3.12Å
79E98.1Very high97.9Very high94 Ų9456.3 Ų56.344%0.43930%0.3SS..Hα-helixtrans-59.6-44.9179.4-177.2-155143.900111.3K35 H76 E82 D83K35-E79 IonicContact NZ-OE1 2.98Å; K35-E79 PolarHBondContact NZ-OE1 2.87Å; H76-E79 IonicContact CD2-OE2 2.66Å; H76-E79 PolarHBondContact O-N 3.45Å; E79-E82 PolarHBondContact O-N 3.06Å; E79-D83 PolarHBondContact O-N 3.28Å
80W98.5Very high98Very high5 Ų553.6 Ų53.62%0.01929%0.291CS..Hα-helixtrans-70.8-37.1-176.3-71.930.8000111.8T31 K35 A67 A68 F73 H76 K77 S78 E82 D83 A84T31-W80 HydrophobicContact CG2-CH2 3.88Å; T31-W80 HydrophobicContact CG2-CZ3 4.18Å; K35-W80 HydrophobicContact CB-CH2 4.26Å; K35-W80 HydrophobicContact CB-CZ2 4.11Å; K35-W80 HydrophobicContact CD-CZ2 4.5Å; K35-W80 HydrophobicContact CG-CD2 4.16Å; K35-W80 HydrophobicContact CG-CH2 4.46Å; K35-W80 HydrophobicContact CG-CZ2 4.06Å; A67-W80 HydrophobicContact CB-CE3 4.11Å; A67-W80 HydrophobicContact CB-CZ3 3.56Å; A68-W80 HydrophobicContact CB-CB 4.16Å; F73-W80 HydrophobicContact CB-CZ3 4.45Å; F73-W80 AromaticContact CD1-CH2 3.37Å; F73-W80 HydrophobicContact CD1-CH2 3.37Å; F73-W80 AromaticContact CD1-CZ2 3.77Å; F73-W80 HydrophobicContact CD1-CZ2 3.77Å; F73-W80 HydrophobicContact CD1-CZ3 4.03Å; F73-W80 HydrophobicContact CD2-CH2 4.49Å; F73-W80 HydrophobicContact CD2-CZ3 4.47Å; F73-W80 AromaticContact CE1-CH2 3.64Å; F73-W80 HydrophobicContact CE1-CH2 3.64Å; F73-W80 HydrophobicContact CE1-CZ2 4.22Å; F73-W80 HydrophobicContact CE1-CZ3 4.48Å; F73-W80 AromaticContact CG-CH2 3.87Å; F73-W80 HydrophobicContact CG-CH2 3.87Å; F73-W80 HydrophobicContact CG-CZ2 4.47Å; F73-W80 HydrophobicContact CG-CZ3 4.05Å; F73-W80 HydrophobicContact CZ-CH2 4.35Å; H76-W80 HydrophobicContact CB-CG 4.4Å; H76-W80 VanDerWaalsContact O-CD1 3.22Å; H76-W80 PolarHBondContact O-N 3.11Å; K77-W80 PolarHBondContact O-N 3.34Å; S78-W80 VanDerWaalsContact C-N 3.35Å; S78-W80 PolarHBondContact O-N 3.15Å; W80-E82 VanDerWaalsContact C-N 3.33Å; W80-D83 PolarHBondContact O-N 3.3Å; W80-A84 WeakPolarHBondContact O-CB 3.45Å; W80-A84 PolarHBondContact O-N 3.31Å
81L98.7Very high98Very high34 Ų3453 Ų5318%0.17829%0.288CS..Hα-helixtrans-69.7-31.6174.4-66.3179000112W65 A68 K77 S78 A84 K85 L121W65-L81 HydrophobicContact CB-CD2 4.33Å; W65-L81 HydrophobicContact CG-CD2 4.41Å; A68-L81 HydrophobicContact CB-CD2 4.22Å; A68-L81 HydrophobicContact CB-CG 4.36Å; K77-L81 HydrophobicContact CG-CD1 3.72Å; K77-L81 HydrophobicContact CG-CG 4.26Å; K77-L81 WeakPolarHBondContact O-CB 3.38Å; K77-L81 WeakPolarHBondContact O-CG 3.47Å; K77-L81 PolarHBondContact O-N 2.81Å; S78-L81 PolarHBondContact O-N 3.44Å; L81-A84 PolarHBondContact O-N 2.74Å; L81-K85 WeakPolarHBondContact O-CB 3.35Å; L81-K85 WeakPolarHBondContact O-CG 3.04Å; L81-K85 PolarHBondContact O-N 3.07Å; L81-L121 HydrophobicContact CD2-CD2 3.82Å
82E98.7Very high97.9Very high134 Ų13451.8 Ų51.863%0.62628%0.275SS*.Hα-helixtrans-66.8-45.7173.2-174171.5-168.200111.7S78 E79 W80 A84 K85 R86S78-E82 WeakPolarHBondContact O-CB 3.31Å; S78-E82 PolarHBondContact O-N 3.12Å; E79-E82 PolarHBondContact O-N 3.06Å; W80-E82 VanDerWaalsContact C-N 3.33Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 2.86Å; E82-K85 PolarHBondContact O-N 3.44Å; E82-R86 PolarHBondContact O-N 3.47Å
83D98.8Very high97.8Very high25 Ų2558.6 Ų58.613%0.13430%0.302CS..Hα-helixtrans-59.9-44.6172.6-89.2-36.4000111.8K35 L64 E79 W80 K85 R86 L87K35-D83 VanDerWaalsContact CE-OD2 3.27Å; K35-D83 WeakPolarHBondContact CE-OD2 3.31Å; K35-D83 IonicContact NZ-OD2 2.8Å; K35-D83 PolarHBondContact NZ-OD2 3.18Å; L64-D83 HydrophobicContact CD1-CB 3.7Å; E79-D83 PolarHBondContact O-N 3.28Å; W80-D83 PolarHBondContact O-N 3.3Å; D83-K85 PolarHBondContact O-N 3.01Å; D83-R86 PolarHBondContact O-N 3.38Å; D83-R86 IonicContact OD1-CZ 3.64Å; D83-R86 IonicContact OD1-NE 3.59Å; D83-R86 IonicContact OD1-NH2 2.82Å; D83-R86 PolarHBondContact OD1-NH2 3.16Å; D83-L87 VanDerWaalsContact O-CG 3.28Å; D83-L87 WeakPolarHBondContact O-CG 3.33Å; D83-L87 PolarHBondContact O-N 2.85Å
84A98.9Very high97.5Very high0 Ų060.8 Ų60.80%032%0.315CS..Hα-helixtrans-59.1-46.3176.600000111.7G61 L64 W80 L81 E82 R86 L87 V88 L121G61-A84 WeakPolarHBondContact O-CB 3.32Å; L64-A84 HydrophobicContact CB-CB 4.04Å; W80-A84 WeakPolarHBondContact O-CB 3.45Å; W80-A84 PolarHBondContact O-N 3.31Å; L81-A84 PolarHBondContact O-N 2.74Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 2.86Å; A84-R86 VanDerWaalsContact C-N 3.35Å; A84-R86 PolarHBondContact O-N 3.15Å; A84-L87 PolarHBondContact O-N 2.71Å; A84-V88 WeakPolarHBondContact O-CG2 3.15Å; A84-V88 PolarHBondContact O-N 3.39Å; A84-L121 HydrophobicContact CB-CD1 3.92Å; A84-L121 HydrophobicContact CB-CD2 3.61Å; A84-L121 HydrophobicContact CB-CG 4.43Å
85K98.8Very high97.2Very high84 Ų8459.1 Ų59.137%0.36531%0.309SS..Hα-helixtrans-58.8-44.5175.9-78.81691801780111.7L81 E82 D83 S89 L121L81-K85 WeakPolarHBondContact O-CB 3.35Å; L81-K85 WeakPolarHBondContact O-CG 3.04Å; L81-K85 PolarHBondContact O-N 3.07Å; E82-K85 PolarHBondContact O-N 3.44Å; D83-K85 PolarHBondContact O-N 3.01Å; K85-S89 WeakPolarHBondContact O-CB 3.29Å; K85-S89 PolarHBondContact O-N 3.41Å; K85-S89 PolarHBondContact O-OG 2.87Å; K85-L121 WeakPolarHBondContact CE-O 3.41Å; K85-L121 HydrophobicContact CG-CB 3.9Å; K85-L121 HydrophobicContact CG-CD1 4.4Å; K85-L121 HydrophobicContact CG-CD2 4.33Å; K85-L121 HydrophobicContact CG-CG 4.45Å
86R98.4Very high96.8Very high114 Ų11456.4 Ų56.443%0.4328%0.282SS..Hα-helixtrans-61.3-46.8178.6-179.1177.557.777.80.9111.5E82 D83 A84 A90E82-R86 PolarHBondContact O-N 3.47Å; D83-R86 PolarHBondContact O-N 3.38Å; D83-R86 IonicContact OD1-CZ 3.64Å; D83-R86 IonicContact OD1-NE 3.59Å; D83-R86 IonicContact OD1-NH2 2.82Å; D83-R86 PolarHBondContact OD1-NH2 3.16Å; A84-R86 VanDerWaalsContact C-N 3.35Å; A84-R86 PolarHBondContact O-N 3.15Å; R86-A90 WeakPolarHBondContact O-CB 3.11Å; R86-A90 PolarHBondContact O-N 2.73Å
87L98.7Very high96.3Very high1 Ų155.2 Ų55.21%0.00528%0.283CS..Hα-helixtrans-62.9-49.6179.5-67.9166.7000111.9T44 V57 L60 L64 D83 A84 A90 H91T44-L87 HydrophobicContact CG2-CD2 3.82Å; V57-L87 HydrophobicContact CB-CD2 4.23Å; L60-L87 HydrophobicContact CB-CD1 4.26Å; L60-L87 HydrophobicContact CD2-CD1 3.76Å; L60-L87 HydrophobicContact CD2-CD2 4.48Å; L60-L87 HydrophobicContact CG-CD1 3.7Å; L64-L87 HydrophobicContact CD1-CD1 3.97Å; D83-L87 VanDerWaalsContact O-CG 3.28Å; D83-L87 WeakPolarHBondContact O-CG 3.33Å; D83-L87 PolarHBondContact O-N 2.85Å; A84-L87 PolarHBondContact O-N 2.71Å; L87-A90 PolarHBondContact O-N 2.87Å; L87-H91 PolarHBondContact O-N 2.83Å; L87-H91 VanDerWaalsContact O-N 3.09Å
88V98.5Very high95.7Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-68.4-38.8-178.7175.60000111.2A84 A90 H91 L92 V114 V117 L121A84-V88 WeakPolarHBondContact O-CG2 3.15Å; A84-V88 PolarHBondContact O-N 3.39Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 2.76Å; V88-H91 WeakPolarHBondContact O-CB 3.43Å; V88-H91 PolarHBondContact O-N 3.09Å; V88-L92 HydrophobicContact CG1-CD1 4.13Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 WeakPolarHBondContact O-CG 3.49Å; V88-L92 PolarHBondContact O-N 3.42Å; V88-V114 HydrophobicContact CG1-CG1 4.34Å; V88-V117 HydrophobicContact CG2-CB 4.36Å; V88-V117 HydrophobicContact CG2-CG1 3.71Å; V88-L121 HydrophobicContact CB-CD1 4.1Å; V88-L121 HydrophobicContact CG2-CD1 3.77Å
89S98Very high94.9Very high46 Ų4654.4 Ų54.432%0.32228%0.28SS..Hα-helixtrans-63-37174.9-60.80000112.3K85 K93K85-S89 WeakPolarHBondContact O-CB 3.29Å; K85-S89 PolarHBondContact O-N 3.41Å; K85-S89 PolarHBondContact O-OG 2.87Å; S89-K93 WeakPolarHBondContact O-CG 3.23Å; S89-K93 PolarHBondContact O-N 2.75Å
90A97.9Very high94.2Very high19 Ų1953.2 Ų53.216%0.15729%0.286CS..Hα-helixtrans-67.7-37.317500000112T44 R86 L87 V88 K93T44-A90 HydrophobicContact CG2-CB 3.64Å; R86-A90 WeakPolarHBondContact O-CB 3.11Å; R86-A90 PolarHBondContact O-N 2.73Å; L87-A90 PolarHBondContact O-N 2.87Å; V88-A90 VanDerWaalsContact C-N 3.3Å; V88-A90 PolarHBondContact O-N 2.76Å; A90-K93 PolarHBondContact O-N 3.38Å
91H97.2Very high93.4Very high7 Ų757.4 Ų57.43%0.03230%0.302CS..Hα-helixtrans-64.3-47.7174.6-165.9123.1000111.9C49 V57 A58 L87 V88 K93 T94 I95 V114C49-H91 HydrophobicContact CB-CB 4.44Å; C49-H91 PolarHBondContact O-CD2 3.36Å; C49-H91 PolarHBondContact O-CE1 3.24Å; C49-H91 PolarHBondContact O-ND1 2.84Å; C49-H91 PolarHBondContact O-NE2 3.01Å; V57-H91 HydrophobicContact CG2-CB 4.04Å; A58-H91 HydrophobicContact CB-CB 4.28Å; A58-H91 WeakPolarHBondContact CB-ND1 3.29Å; L87-H91 PolarHBondContact O-N 2.83Å; L87-H91 VanDerWaalsContact O-N 3.09Å; V88-H91 WeakPolarHBondContact O-CB 3.43Å; V88-H91 PolarHBondContact O-N 3.09Å; H91-K93 PolarHBondContact O-N 3.13Å; H91-K93 VanDerWaalsContact O-N 3.15Å; H91-T94 PolarHBondContact O-N 3.13Å; H91-T94 PolarHBondContact O-OG1 2.82Å; H91-I95 WeakPolarHBondContact O-CG2 3.39Å; H91-I95 PolarHBondContact O-N 2.84Å; H91-V114 HydrophobicContact CB-CG1 4.31Å; H91-V114 VanDerWaalsContact NE2-CG2 3.32Å; H91-V114 WeakPolarHBondContact NE2-CG2 3.45Å
92L95.4Very high92.6Very high49 Ų4961.7 Ų61.726%0.25732%0.316SS..Hα-helixtrans-59.4-26.9179.9-73.5172.3000113.1V88 T94 I95 V114 E115V88-L92 HydrophobicContact CG1-CD1 4.13Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 WeakPolarHBondContact O-CG 3.49Å; V88-L92 PolarHBondContact O-N 3.42Å; L92-T94 PolarHBondContact O-N 3.07Å; L92-I95 HydrophobicContact CD2-CD1 4.12Å; L92-I95 WeakPolarHBondContact O-CG1 3.39Å; L92-V114 HydrophobicContact CD2-CG1 3.76Å; L92-V114 HydrophobicContact CG-CG1 4.08Å; L92-E115 HydrophobicContact CD2-CG 4.31Å
93K95Very high91.7Very high178 Ų17857.6 Ų57.677%0.77430%0.298SS*.THydrogen-bonded Turntrans-69.7-15.5175.3-71.3170.8-174.1-178.70113.8S89 A90 H91S89-K93 WeakPolarHBondContact O-CG 3.23Å; S89-K93 PolarHBondContact O-N 2.75Å; A90-K93 PolarHBondContact O-N 3.38Å; H91-K93 PolarHBondContact O-N 3.13Å; H91-K93 VanDerWaalsContact O-N 3.15Å
94T91.8Very high91.1Very high48 Ų4857 Ų5729%0.29429%0.294SS..THydrogen-bonded Turntrans-115.41.2-175.161.60000113.9K46 C49 H91 L92K46-T94 HydrophobicContact CG-CG2 4.39Å; C49-T94 HydrophobicContact CB-CG2 4.41Å; C49-T94 WeakPolarHBondContact CB-OG1 3.48Å; H91-T94 PolarHBondContact O-N 3.13Å; H91-T94 PolarHBondContact O-OG1 2.82Å; L92-T94 PolarHBondContact O-N 3.07Å
95I90.7Very high90.3Very high56 Ų5657 Ų5729%0.28729%0.294SS..PPolyproline II helixtrans-64.2142.3-176.666-177.6000111.5H91 L92H91-I95 WeakPolarHBondContact O-CG2 3.39Å; H91-I95 PolarHBondContact O-N 2.84Å; L92-I95 HydrophobicContact CD2-CD1 4.12Å; L92-I95 WeakPolarHBondContact O-CG1 3.39Å
96T87.5Confident89.4Confident38 Ų3853 Ų5323%0.23328%0.277CS..PPolyproline II helixtrans-93.4131170.3-52.60000108.2A100 R101 N111T96-A100 HydrophobicContact CG2-CB 3.79Å; T96-R101 HydrophobicContact CG2-CB 4.24Å; T96-R101 HydrophobicContact CG2-CG 4.29Å; T96-R101 PolarHBondContact OG1-NH2 3.48Å; T96-N111 PolarHBondContact O-ND2 3.45Å
97P86.9Confident89Confident68 Ų6847.7 Ų47.744%0.44226%0.257SS..PPolyproline II helixtrans-67.6150.2-178.827.8-34.9000111.7T99 A100 R101P97-T99 PolarHBondContact O-N 2.84Å; P97-T99 VanDerWaalsContact O-N 3.11Å; P97-A100 HydrophobicContact CG-CB 4.23Å; P97-A100 PolarHBondContact O-N 3.38Å; P97-R101 PolarHBondContact O-N 3.3Å
98P84.1Confident88.9Confident17 Ų1747.7 Ų47.711%0.1126%0.257CS..THydrogen-bonded Turntrans-55.5-27.6177.9-31.539.2000115.4A100 R101 R102 V105 M140P98-A100 PolarHBondContact O-N 3.16Å; P98-R101 WeakPolarHBondContact CA-O 3.32Å; P98-R101 CarbonylContact O-C 3.56Å; P98-R101 VanDerWaalsContact O-C 3.27Å; P98-R101 PolarHBondContact O-N 3.07Å; P98-R102 PolarHBondContact O-N 3.47Å; P98-V105 HydrophobicContact CB-CG2 3.62Å; P98-V105 HydrophobicContact CG-CG2 4.11Å; P98-M140 HydrophobicContact CB-CE 4.18Å; P98-M140 HydrophobicContact CB-SD 4.25Å
99T82.8Confident88.6Confident125 Ų12549.9 Ų49.977%0.76727%0.269SS*.THydrogen-bonded Turntrans-64.3-27.5175.551.40000113P97P97-T99 PolarHBondContact O-N 2.84Å; P97-T99 VanDerWaalsContact O-N 3.11Å
100A83.1Confident88.3Confident70 Ų7047.8 Ų47.858%0.57925%0.254SS*.THydrogen-bonded Turntrans-92.9-30.6175.900000112.6T96 P97 P98T96-A100 HydrophobicContact CG2-CB 3.79Å; P97-A100 HydrophobicContact CG-CB 4.23Å; P97-A100 PolarHBondContact O-N 3.38Å; P98-A100 PolarHBondContact O-N 3.16Å
101R81.8Confident88.1Confident92 Ų9247.1 Ų47.135%0.34725%0.248SC..  trans-145105.1179.3-83.8-155.4-72.8172.2-2.8110.7D50 T96 P97 P98 D103 K104D50-R101 IonicContact OD1-NH2 3.42Å; D50-R101 PolarHBondContact OD1-NH2 3.39Å; T96-R101 HydrophobicContact CG2-CB 4.24Å; T96-R101 HydrophobicContact CG2-CG 4.29Å; T96-R101 PolarHBondContact OG1-NH2 3.48Å; P97-R101 PolarHBondContact O-N 3.3Å; P98-R101 WeakPolarHBondContact CA-O 3.32Å; P98-R101 CarbonylContact O-C 3.56Å; P98-R101 VanDerWaalsContact O-C 3.27Å; P98-R101 PolarHBondContact O-N 3.07Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 WeakPolarHBondContact CB-OD1 3.38Å; R101-D103 PolarHBondContact O-N 2.9Å; R101-K104 HydrophobicContact CB-CG 3.86Å; R101-K104 VanDerWaalsContact O-CB 3.27Å; R101-K104 WeakPolarHBondContact O-CB 3.43Å; R101-K104 PolarHBondContact O-N 3.1Å
102R82.1Confident87.9Confident125 Ų12546.9 Ų46.947%0.47225%0.247SC..G310 helixtrans-63.4-29.3-172.1-66.7-176.6-177.3179.5-1113.8P98 K104 V105 M140 N145 F146 L147P98-R102 PolarHBondContact O-N 3.47Å; R102-K104 PolarHBondContact O-N 2.96Å; R102-K104 VanDerWaalsContact O-N 3.15Å; R102-V105 WeakPolarHBondContact O-CG2 3.13Å; R102-V105 PolarHBondContact O-N 2.89Å; R102-M140 HydrophobicContact CB-SD 4.46Å; R102-M140 HydrophobicContact CG-SD 4.18Å; R102-N145 PolarHBondContact NH1-O 2.67Å; R102-F146 HydrophobicContact CB-CE2 4.19Å; R102-F146 WeakPolarHBondContact CD-O 3.44Å; R102-F146 WeakPolarHBondContact O-CE2 3.48Å; R102-L147 HydrophobicContact CB-CD2 4.1Å
103D79.9Confident88Confident47 Ų4744.5 Ų44.525%0.25124%0.235SC..G310 helixtrans-62-18.7174.959.2-54.9000112.7R101 V105 L147 V156R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 WeakPolarHBondContact CB-OD1 3.38Å; R101-D103 PolarHBondContact O-N 2.9Å; D103-V105 PolarHBondContact O-N 3.17Å; D103-L147 HydrophobicContact CB-CD2 4.13Å; D103-V156 HydrophobicContact CB-CB 4.05Å; D103-V156 HydrophobicContact CB-CG1 4.03Å
104K85.3Confident88.1Confident13 Ų1336 Ų366%0.05720%0.198CC..G310 helixtrans-76.7-2176.6-60.3-61.1-172176.90114.5D50 R101 R102 S106 L109 N111D50-K104 IonicContact OD1-NZ 3.87Å; D50-K104 PolarHBondContact OD1-NZ 3.25Å; R101-K104 HydrophobicContact CB-CG 3.86Å; R101-K104 VanDerWaalsContact O-CB 3.27Å; R101-K104 WeakPolarHBondContact O-CB 3.43Å; R101-K104 PolarHBondContact O-N 3.1Å; R102-K104 PolarHBondContact O-N 2.96Å; R102-K104 VanDerWaalsContact O-N 3.15Å; K104-S106 VanDerWaalsContact C-N 3.27Å; K104-S106 PolarHBondContact O-N 3.31Å; K104-L109 PolarHBondContact NZ-O 3.36Å; K104-N111 VanDerWaalsContact O-CB 3.29Å; K104-N111 WeakPolarHBondContact O-CB 3.41Å; K104-N111 PolarHBondContact O-N 2.83Å
105V82.6Confident88.3Confident0 Ų035.3 Ų35.30%019%0.191CC..G310 helixtrans-67.3-27.6172.5169.40000112.8P98 R102 D103 A112 Q137 M140 V141 F146 L161P98-V105 HydrophobicContact CB-CG2 3.62Å; P98-V105 HydrophobicContact CG-CG2 4.11Å; R102-V105 WeakPolarHBondContact O-CG2 3.13Å; R102-V105 PolarHBondContact O-N 2.89Å; D103-V105 PolarHBondContact O-N 3.17Å; V105-A112 WeakPolarHBondContact O-CB 3.19Å; V105-Q137 HydrophobicContact CG1-CB 3.98Å; V105-Q137 VanDerWaalsContact CG1-OE1 3.28Å; V105-M140 HydrophobicContact CG2-CG 4.47Å; V105-M140 HydrophobicContact CG2-SD 3.44Å; V105-M140 WeakPolarHBondContact CG2-SD 3.4Å; V105-V141 HydrophobicContact CB-CG1 4.41Å; V105-V141 HydrophobicContact CG1-CG1 3.42Å; V105-V141 VanDerWaalsContact CG1-CG1 3.42Å; V105-F146 HydrophobicContact CB-CE2 4.23Å; V105-F146 HydrophobicContact CB-CZ 4.04Å; V105-F146 HydrophobicContact CG1-CZ 4.35Å; V105-F146 HydrophobicContact CG2-CE2 4.1Å; V105-F146 HydrophobicContact CG2-CZ 4.41Å; V105-L161 HydrophobicContact CG1-CD1 4.23Å
106S79.7Confident88.6Confident1 Ų132.7 Ų32.71%0.00718%0.178CC..SBendtrans-98.8-153.2-161.5-174.30000113.5K104 G110 A112 G113 V156 G157K104-S106 VanDerWaalsContact C-N 3.27Å; K104-S106 PolarHBondContact O-N 3.31Å; S106-G110 CarbonylContact O-C 3.34Å; S106-G110 WeakPolarHBondContact O-CA 3.24Å; S106-A112 WeakPolarHBondContact O-CB 3.06Å; S106-A112 PolarHBondContact O-N 2.84Å; S106-A112 VanDerWaalsContact O-N 3.14Å; S106-G113 PolarHBondContact O-N 3.15Å; S106-V156 VanDerWaalsContact CB-CA 3.45Å; S106-V156 WeakPolarHBondContact CB-O 3.44Å; S106-V156 VanDerWaalsContact OG-C 3.22Å; S106-V156 WeakPolarHBondContact OG-CA 3.45Å; S106-V156 PolarHBondContact OG-O 3.49Å; S106-G157 PolarHBondContact OG-O 3.15Å
107F90.9Very high89.2Confident1 Ų130.9 Ų30.90%0.00417%0.167CC..SBendtrans-100.3-79.5-152.4-174.1-140.7000113.8L53 L109 G113 L116 F155 G160 M163 T164 L417L53-F107 HydrophobicContact CD1-CD2 4.39Å; L53-F107 HydrophobicContact CD1-CE2 4.15Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 3.48Å; F107-G113 WeakPolarHBondContact O-CA 3.2Å; F107-L116 HydrophobicContact CE2-CD2 4Å; F107-F155 PolarHBondContact N-O 3.01Å; F107-G160 WeakPolarHBondContact CB-O 3.31Å; F107-G160 WeakPolarHBondContact CG-O 3.38Å; F107-M163 HydrophobicContact CD1-CB 3.72Å; F107-M163 HydrophobicContact CE1-CB 3.51Å; F107-M163 HydrophobicContact CZ-CB 4.15Å; F107-T164 WeakPolarHBondContact CB-OG1 3.29Å; F107-T164 HydrophobicContact CD2-CG2 4.5Å; F107-T164 WeakPolarHBondContact CD2-OG1 3.29Å; F107-T164 WeakPolarHBondContact CG-OG1 3.43Å; F107-L417 HydrophobicContact CE1-CB 3.98Å; F107-L417 HydrophobicContact CE2-CD2 4.2Å; F107-L417 HydrophobicContact CZ-CB 3.67Å; F107-L417 HydrophobicContact CZ-CD1 4.47Å; F107-L417 HydrophobicContact CZ-CD2 3.87Å; F107-L417 HydrophobicContact CZ-CG 4.21Å
108L95.5Very high89.7Confident2 Ų228.5 Ų28.51%0.0115%0.151CC..SBendtrans-71.3-32.4-168.7-64-177.7000112.4G52 L53 Y54 M154 F155 W294 F393 L417G52-L108 CarbonylContact C-O 3.51Å; G52-L108 WeakPolarHBondContact CA-O 3.32Å; L53-L108 HydrophobicContact CB-CD2 4.45Å; L53-L108 PolarHBondContact N-O 2.86Å; Y54-L108 HydrophobicContact CD2-CD1 4.45Å; Y54-L108 PolarHBondContact N-O 3.49Å; L108-M154 HydrophobicContact CD1-CG 4.14Å; L108-F155 HydrophobicContact CB-CD1 4.4Å; L108-F155 HydrophobicContact CB-CG 4.47Å; L108-F155 HydrophobicContact CD1-CD1 3.68Å; L108-F155 HydrophobicContact CD1-CE1 3.71Å; L108-F155 PolarHBondContact N-O 3.34Å; L108-W294 HydrophobicContact CD1-CH2 4.03Å; L108-F393 HydrophobicContact CD1-CE1 4.03Å; L108-F393 HydrophobicContact CD1-CE2 4.39Å; L108-F393 HydrophobicContact CD1-CZ 3.76Å; L108-F393 HydrophobicContact CD2-CE2 3.68Å; L108-F393 HydrophobicContact CD2-CZ 3.57Å; L108-F393 HydrophobicContact CG-CZ 4.32Å; L108-L417 HydrophobicContact CD2-CD1 3.99Å
109L93.5Very high90.4Very high46 Ų4627.8 Ų27.824%0.24115%0.147CC..SBendtrans-114.1-0.6176.4-64.7-177.7000113.8Y54 K104 F107 F155 V156Y54-L109 HydrophobicContact CD1-CD2 4.35Å; Y54-L109 HydrophobicContact CG-CD2 4.32Å; K104-L109 PolarHBondContact NZ-O 3.36Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 3.48Å; L109-F155 HydrophobicContact CD1-CB 4.22Å; L109-F155 HydrophobicContact CD1-CD2 3.71Å; L109-F155 HydrophobicContact CD1-CG 4.43Å; L109-F155 HydrophobicContact CG-CB 4.33Å; L109-F155 HydrophobicContact CG-CD2 4.07Å; L109-F155 PolarHBondContact N-O 3.31Å; L109-V156 HydrophobicContact CB-CG1 3.91Å; L109-V156 HydrophobicContact CD1-CG1 4.46Å
110G90Very high91.1Very high1 Ų123 Ų231%0.0112%0.116CC..SBendtrans-105.3176.8-178.900000114.1S106S106-G110 CarbonylContact O-C 3.34Å; S106-G110 WeakPolarHBondContact O-CA 3.24Å
111N93.8Very high91.9Very high6 Ų620.3 Ų20.33%0.0329%0.092CC..Hα-helixtrans-72.6-34.4-176.2-63.4-12000111.8T96 K104 G113 V114 E115T96-N111 PolarHBondContact O-ND2 3.45Å; K104-N111 VanDerWaalsContact O-CB 3.29Å; K104-N111 WeakPolarHBondContact O-CB 3.41Å; K104-N111 PolarHBondContact O-N 2.83Å; N111-G113 VanDerWaalsContact C-N 3.25Å; N111-G113 PolarHBondContact O-N 2.95Å; N111-V114 WeakPolarHBondContact O-CB 3.17Å; N111-V114 PolarHBondContact O-N 2.87Å; N111-E115 WeakPolarHBondContact O-CB 3.44Å; N111-E115 VanDerWaalsContact O-CG 3.32Å; N111-E115 WeakPolarHBondContact O-CG 3.33Å; N111-E115 PolarHBondContact O-N 3.25Å
112A94.6Very high92.6Very high1 Ų119.2 Ų19.21%0.0089%0.093CC..Hα-helixtrans-63-34.1-174.400000111.9V105 S106 L116 F130 T164V105-A112 WeakPolarHBondContact O-CB 3.19Å; S106-A112 WeakPolarHBondContact O-CB 3.06Å; S106-A112 PolarHBondContact O-N 2.84Å; S106-A112 VanDerWaalsContact O-N 3.14Å; A112-L116 VanDerWaalsContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CB 3.14Å; A112-L116 PolarHBondContact O-N 3Å; A112-F130 WeakPolarHBondContact O-CE2 3.46Å; A112-T164 HydrophobicContact CB-CG2 3.87Å
113G96Very high93.1Very high0 Ų015.1 Ų15.10%09%0.09CC..Hα-helixtrans-63.4-45.6170.200000113S106 F107 N111 E115 L116 V117S106-G113 PolarHBondContact O-N 3.15Å; F107-G113 WeakPolarHBondContact O-CA 3.2Å; N111-G113 VanDerWaalsContact C-N 3.25Å; N111-G113 PolarHBondContact O-N 2.95Å; G113-E115 PolarHBondContact O-N 3.35Å; G113-L116 WeakPolarHBondContact O-CB 3.18Å; G113-L116 PolarHBondContact O-N 3.21Å; G113-V117 WeakPolarHBondContact O-CG2 3.35Å; G113-V117 PolarHBondContact O-N 2.95Å; G113-V117 VanDerWaalsContact O-N 3.15Å
114V97Very high93.8Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-65.4-41.8179.9-178.90000111.2L53 A58 V88 H91 L92 N111 V117 S118L53-V114 HydrophobicContact CD2-CG2 4.49Å; A58-V114 HydrophobicContact CB-CB 4.46Å; A58-V114 HydrophobicContact CB-CG1 4.04Å; A58-V114 HydrophobicContact CB-CG2 4Å; V88-V114 HydrophobicContact CG1-CG1 4.34Å; H91-V114 HydrophobicContact CB-CG1 4.31Å; H91-V114 VanDerWaalsContact NE2-CG2 3.32Å; H91-V114 WeakPolarHBondContact NE2-CG2 3.45Å; L92-V114 HydrophobicContact CD2-CG1 3.76Å; L92-V114 HydrophobicContact CG-CG1 4.08Å; N111-V114 WeakPolarHBondContact O-CB 3.17Å; N111-V114 PolarHBondContact O-N 2.87Å; V114-V117 PolarHBondContact O-N 3.14Å; V114-S118 PolarHBondContact O-N 3.36Å
115E96.9Very high94.3Very high33 Ų3321.4 Ų21.415%0.15413%0.129CC..Hα-helixtrans-66.2-37.7176.9-69.9170.9-174.700112.1L92 N111 G113 V117 S118 A119 F130 N133L92-E115 HydrophobicContact CD2-CG 4.31Å; N111-E115 WeakPolarHBondContact O-CB 3.44Å; N111-E115 VanDerWaalsContact O-CG 3.32Å; N111-E115 WeakPolarHBondContact O-CG 3.33Å; N111-E115 PolarHBondContact O-N 3.25Å; G113-E115 PolarHBondContact O-N 3.35Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 2.88Å; E115-S118 CarbonylContact O-C 3.59Å; E115-S118 WeakPolarHBondContact O-CB 3.48Å; E115-S118 PolarHBondContact O-N 3.08Å; E115-A119 PolarHBondContact O-N 3.26Å; E115-F130 HydrophobicContact CB-CD2 3.92Å; E115-N133 PolarHBondContact OE1-ND2 3.03Å; E115-N133 PolarHBondContact OE2-ND2 2.66Å
116L97.8Very high95Very high1 Ų122.5 Ų22.51%0.00514%0.139CC..Hα-helixtrans-57.1-47.3170.716967.4000110.8F107 A112 G113 S118 A119 L120 F130 N167 L172F107-L116 HydrophobicContact CE2-CD2 4Å; A112-L116 VanDerWaalsContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CB 3.14Å; A112-L116 PolarHBondContact O-N 3Å; G113-L116 WeakPolarHBondContact O-CB 3.18Å; G113-L116 PolarHBondContact O-N 3.21Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 2.95Å; L116-A119 WeakPolarHBondContact O-CB 3.21Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-A119 VanDerWaalsContact O-N 3.17Å; L116-L120 HydrophobicContact CG-CD1 4.43Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 2.73Å; L116-F130 HydrophobicContact CB-CD2 4.32Å; L116-F130 HydrophobicContact CB-CE2 3.73Å; L116-F130 HydrophobicContact CB-CZ 3.95Å; L116-F130 HydrophobicContact CD1-CE1 4.12Å; L116-F130 HydrophobicContact CD1-CZ 3.97Å; L116-N167 HydrophobicContact CD2-CB 3.58Å; L116-L172 HydrophobicContact CD1-CD1 4.02Å; L116-L172 HydrophobicContact CD1-CG 4.41Å
117V98.5Very high95.8Very high0 Ų022.7 Ų22.70%014%0.14CC..Hα-helixtrans-64.9-36.9177.8-174.10000111.1L53 Y62 V88 G113 V114 E115 A119 L120 L121L53-V117 HydrophobicContact CD1-CG2 4.17Å; L53-V117 HydrophobicContact CD2-CG2 3.53Å; Y62-V117 HydrophobicContact CD2-CG2 4.04Å; Y62-V117 HydrophobicContact CG-CG2 4.43Å; V88-V117 HydrophobicContact CG2-CB 4.36Å; V88-V117 HydrophobicContact CG2-CG1 3.71Å; G113-V117 WeakPolarHBondContact O-CG2 3.35Å; G113-V117 PolarHBondContact O-N 2.95Å; G113-V117 VanDerWaalsContact O-N 3.15Å; V114-V117 PolarHBondContact O-N 3.14Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 2.88Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 3.47Å; V117-L120 PolarHBondContact O-N 3.11Å; V117-L121 HydrophobicContact CG1-CD1 3.98Å; V117-L121 WeakPolarHBondContact O-CD1 3.46Å; V117-L121 VanDerWaalsContact O-CG 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.32Å; V117-L121 PolarHBondContact O-N 3Å; V117-L121 VanDerWaalsContact O-N 3.17Å
118S98.2Very high96.1Very high18 Ų1829 Ų2913%0.12617%0.167CC..Hα-helixtrans-61.1-42.2172.6-171.10000112.4V114 E115 L116 L120 L121 N122V114-S118 PolarHBondContact O-N 3.36Å; E115-S118 CarbonylContact O-C 3.59Å; E115-S118 WeakPolarHBondContact O-CB 3.48Å; E115-S118 PolarHBondContact O-N 3.08Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 2.95Å; S118-L120 PolarHBondContact O-N 3.18Å; S118-L121 PolarHBondContact O-N 3.45Å; S118-N122 WeakPolarHBondContact O-CB 3.38Å; S118-N122 PolarHBondContact O-N 3.17Å; S118-N122 PolarHBondContact O-ND2 3.37Å; S118-N122 PolarHBondContact OG-ND2 3.11Å; S118-N122 VanDerWaalsContact OG-ND2 3.16Å
119A98.5Very high96.2Very high2 Ų231.8 Ų31.82%0.01719%0.191CC..Hα-helixtrans-60.7-43.5175.400000111.9E115 L116 V117 L121 G123 S127 F130 L172E115-A119 PolarHBondContact O-N 3.26Å; L116-A119 WeakPolarHBondContact O-CB 3.21Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-A119 VanDerWaalsContact O-N 3.17Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 3.47Å; A119-L121 PolarHBondContact O-N 3.03Å; A119-G123 PolarHBondContact O-N 3.31Å; A119-S127 PolarHBondContact O-OG 3.34Å; A119-F130 HydrophobicContact CB-CB 3.94Å; A119-F130 HydrophobicContact CB-CD1 4.47Å; A119-F130 HydrophobicContact CB-CG 4.27Å; A119-L172 HydrophobicContact CB-CD1 3.96Å; A119-L172 HydrophobicContact CB-CD2 3.97Å
120L98.1Very high96.3Very high24 Ų2429.9 Ų29.913%0.12618%0.18CC..Hα-helixtrans-61.3-28.4176.3-67.4172.7000113.3W65 L116 V117 S118 K171 L172W65-L120 HydrophobicContact CD2-CB 4.32Å; W65-L120 HydrophobicContact CD2-CD1 4.1Å; W65-L120 HydrophobicContact CE3-CD1 4.09Å; W65-L120 HydrophobicContact CG-CB 4.48Å; W65-L120 HydrophobicContact CH2-CD1 4.1Å; W65-L120 HydrophobicContact CH2-CD2 4.23Å; W65-L120 HydrophobicContact CZ2-CB 4.36Å; W65-L120 HydrophobicContact CZ2-CD1 4.04Å; W65-L120 HydrophobicContact CZ2-CD2 3.72Å; W65-L120 HydrophobicContact CZ2-CG 4.27Å; W65-L120 HydrophobicContact CZ3-CD1 4.1Å; L116-L120 HydrophobicContact CG-CD1 4.43Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 2.73Å; V117-L120 PolarHBondContact O-N 3.11Å; S118-L120 PolarHBondContact O-N 3.18Å; L120-K171 HydrophobicContact CD1-CD 4.45Å; L120-K171 HydrophobicContact CD2-CB 3.51Å; L120-K171 HydrophobicContact CD2-CD 4.46Å; L120-L172 HydrophobicContact CD2-CD2 3.5Å; L120-L172 VanDerWaalsContact CD2-CD2 3.5Å; L120-L172 HydrophobicContact CD2-CG 4.29Å; L120-L172 HydrophobicContact CG-CD2 4.06Å
121L98.4Very high96.6Very high14 Ų1430.4 Ų30.47%0.07318%0.184CC..Hα-helixtrans-94.2-32.4-176-70.5169000113.9W65 L81 A84 K85 V88 V117 S118 A119W65-L121 HydrophobicContact CB-CD2 4.15Å; W65-L121 HydrophobicContact CG-CD2 4.41Å; L81-L121 HydrophobicContact CD2-CD2 3.82Å; A84-L121 HydrophobicContact CB-CD1 3.92Å; A84-L121 HydrophobicContact CB-CD2 3.61Å; A84-L121 HydrophobicContact CB-CG 4.43Å; K85-L121 WeakPolarHBondContact CE-O 3.41Å; K85-L121 HydrophobicContact CG-CB 3.9Å; K85-L121 HydrophobicContact CG-CD1 4.4Å; K85-L121 HydrophobicContact CG-CD2 4.33Å; K85-L121 HydrophobicContact CG-CG 4.45Å; V88-L121 HydrophobicContact CB-CD1 4.1Å; V88-L121 HydrophobicContact CG2-CD1 3.77Å; V117-L121 HydrophobicContact CG1-CD1 3.98Å; V117-L121 WeakPolarHBondContact O-CD1 3.46Å; V117-L121 VanDerWaalsContact O-CG 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.32Å; V117-L121 PolarHBondContact O-N 3Å; V117-L121 VanDerWaalsContact O-N 3.17Å; S118-L121 PolarHBondContact O-N 3.45Å; A119-L121 PolarHBondContact O-N 3.03Å
122N97.2Very high96.7Very high69 Ų6933.1 Ų33.137%0.36921%0.207SC..Hα-helixtrans-111.712.1-165.9-63-59.2000114S118 A126S118-N122 WeakPolarHBondContact O-CB 3.38Å; S118-N122 PolarHBondContact O-N 3.17Å; S118-N122 PolarHBondContact O-ND2 3.37Å; S118-N122 PolarHBondContact OG-ND2 3.11Å; S118-N122 VanDerWaalsContact OG-ND2 3.16Å; N122-A126 HydrophobicContact CB-CB 3.6Å
123G92.4Very high96.7Very high39 Ų3935.4 Ų35.440%0.40222%0.219SC..Hα-helixtrans76.7-158.4168.600000114.5A119 S125 A126 S127A119-G123 PolarHBondContact O-N 3.31Å; G123-S125 PolarHBondContact O-N 3.34Å; G123-A126 PolarHBondContact O-N 3.02Å; G123-S127 PolarHBondContact O-N 3.26Å; G123-S127 PolarHBondContact O-OG 3.43Å
124Q95Very high96.6Very high90 Ų9035.5 Ų35.542%0.42122%0.22SC..Hα-helixtrans-65-39.1-164-163.368.61.400113.7S127 K128 N173Q124-S127 WeakPolarHBondContact O-CB 3.39Å; Q124-S127 PolarHBondContact O-N 3.13Å; Q124-K128 WeakPolarHBondContact O-CG 3.33Å; Q124-K128 PolarHBondContact O-N 3.25Å; Q124-N173 PolarHBondContact NE2-O 3.41Å
125S95.5Very high96.5Very high102 Ų10237.9 Ų37.971%0.71324%0.236SC*.Hα-helixtrans-64.7-43.3-179.8-58.10000111.7G123 S127 K128 A129G123-S125 PolarHBondContact O-N 3.34Å; S125-S127 VanDerWaalsContact C-N 3.33Å; S125-K128 PolarHBondContact O-N 3.43Å; S125-A129 PolarHBondContact O-N 2.92Å; S125-A129 VanDerWaalsContact O-N 3.07Å
126A96.5Very high96.3Very high23 Ų2340.4 Ų40.419%0.1926%0.258CS..Hα-helixtrans-66.7-37175.300000111.7N122 G123 A129 F130N122-A126 HydrophobicContact CB-CB 3.6Å; G123-A126 PolarHBondContact O-N 3.02Å; A126-A129 PolarHBondContact O-N 3.29Å; A126-F130 WeakPolarHBondContact O-CB 3.43Å; A126-F130 PolarHBondContact O-N 2.97Å
127S98Very high96Very high4 Ų440.8 Ų40.83%0.02826%0.259CS..Hα-helixtrans-62.7-43.4175.5-56.30000112.5A119 G123 Q124 S125 F130 S131A119-S127 PolarHBondContact O-OG 3.34Å; G123-S127 PolarHBondContact O-N 3.26Å; G123-S127 PolarHBondContact O-OG 3.43Å; Q124-S127 WeakPolarHBondContact O-CB 3.39Å; Q124-S127 PolarHBondContact O-N 3.13Å; S125-S127 VanDerWaalsContact C-N 3.33Å; S127-F130 PolarHBondContact O-N 3.19Å; S127-S131 PolarHBondContact O-N 2.97Å; S127-S131 PolarHBondContact O-OG 2.89Å
128K97.2Very high95.7Very high134 Ų13441 Ų4158%0.58326%0.26SS*.Hα-helixtrans-64.3-41.7174.7-71.5179.5179.9-177.10112.2Q124 S125 S131 A132 V174Q124-K128 WeakPolarHBondContact O-CG 3.33Å; Q124-K128 PolarHBondContact O-N 3.25Å; S125-K128 PolarHBondContact O-N 3.43Å; K128-S131 PolarHBondContact O-N 3.4Å; K128-A132 WeakPolarHBondContact O-CB 3.4Å; K128-A132 PolarHBondContact O-N 3.34Å; K128-V174 HydrophobicContact CG-CG1 4.11Å
129A96.2Very high95.4Very high61 Ų6146.4 Ų46.450%0.50429%0.288SS..Hα-helixtrans-63.4-42.7177.500000111.8S125 A126 A132 N133S125-A129 PolarHBondContact O-N 2.92Å; S125-A129 VanDerWaalsContact O-N 3.07Å; A126-A129 PolarHBondContact O-N 3.29Å; A129-A132 PolarHBondContact O-N 2.77Å; A129-N133 WeakPolarHBondContact O-CB 3.31Å; A129-N133 PolarHBondContact O-N 2.66Å
130F96.5Very high95.1Very high5 Ų548.9 Ų48.92%0.02230%0.3CS..Hα-helixtrans-57.5-51.8173.1162.3-103.6000111.7A112 E115 L116 A119 A126 S127 A132 N133 L134 T164 L172 V176A112-F130 WeakPolarHBondContact O-CE2 3.46Å; E115-F130 HydrophobicContact CB-CD2 3.92Å; L116-F130 HydrophobicContact CB-CD2 4.32Å; L116-F130 HydrophobicContact CB-CE2 3.73Å; L116-F130 HydrophobicContact CB-CZ 3.95Å; L116-F130 HydrophobicContact CD1-CE1 4.12Å; L116-F130 HydrophobicContact CD1-CZ 3.97Å; A119-F130 HydrophobicContact CB-CB 3.94Å; A119-F130 HydrophobicContact CB-CD1 4.47Å; A119-F130 HydrophobicContact CB-CG 4.27Å; A126-F130 WeakPolarHBondContact O-CB 3.43Å; A126-F130 PolarHBondContact O-N 2.97Å; S127-F130 PolarHBondContact O-N 3.19Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 3.31Å; F130-N133 PolarHBondContact O-N 3.3Å; F130-L134 HydrophobicContact CE1-CD2 4.48Å; F130-L134 HydrophobicContact CZ-CD2 4.11Å; F130-L134 WeakPolarHBondContact O-CB 3.49Å; F130-L134 PolarHBondContact O-N 3.31Å; F130-T164 HydrophobicContact CE2-CG2 3.67Å; F130-T164 HydrophobicContact CZ-CG2 3.59Å; F130-L172 HydrophobicContact CD1-CD1 3.62Å; F130-L172 HydrophobicContact CE1-CD1 3.75Å; F130-V176 HydrophobicContact CE1-CG1 3.89Å; F130-V176 HydrophobicContact CE1-CG2 4.29Å; F130-V176 HydrophobicContact CZ-CG1 4.47Å
131S96.8Very high94.8Very high12 Ų1247.8 Ų47.88%0.08430%0.295CS..Hα-helixtrans-62-38179.8-66.10000112.7S127 K128 S135 P175S127-S131 PolarHBondContact O-N 2.97Å; S127-S131 PolarHBondContact O-OG 2.89Å; K128-S131 PolarHBondContact O-N 3.4Å; S131-S135 PolarHBondContact O-N 2.99Å; S131-S135 VanDerWaalsContact O-N 3.09Å; S131-S135 PolarHBondContact O-OG 2.94Å; S131-P175 WeakPolarHBondContact CB-O 3.22Å; S131-P175 PolarHBondContact OG-O 3.45Å
132A95.8Very high94.7Very high63 Ų6349.1 Ų49.152%0.52130%0.301SS..Hα-helixtrans-66-42.5175.700000112K128 A129 F130 S135 S136K128-A132 WeakPolarHBondContact O-CB 3.4Å; K128-A132 PolarHBondContact O-N 3.34Å; A129-A132 PolarHBondContact O-N 2.77Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 3.31Å; A132-S135 PolarHBondContact O-N 3.4Å; A132-S136 PolarHBondContact O-N 3.12Å; A132-S136 VanDerWaalsContact O-N 3.09Å
133N93.6Very high94.5Very high50 Ų5049.7 Ų49.727%0.26730%0.304SS..Hα-helixtrans-68.9-35.6178-167.448.6000112.6E115 A129 F130 S135 S136 Q137E115-N133 PolarHBondContact OE1-ND2 3.03Å; E115-N133 PolarHBondContact OE2-ND2 2.66Å; A129-N133 WeakPolarHBondContact O-CB 3.31Å; A129-N133 PolarHBondContact O-N 2.66Å; F130-N133 PolarHBondContact O-N 3.3Å; N133-S135 VanDerWaalsContact C-N 3.34Å; N133-S136 PolarHBondContact O-N 2.85Å; N133-S136 PolarHBondContact O-OG 3.23Å; N133-Q137 VanDerWaalsContact CG-NE2 3.29Å; N133-Q137 PolarHBondContact ND2-NE2 3.22Å; N133-Q137 WeakPolarHBondContact O-CG 3.37Å; N133-Q137 PolarHBondContact O-NE2 2.86Å; N133-Q137 PolarHBondContact OD1-NE2 3.43Å
134L94.2Very high94Very high1 Ų153 Ų531%0.00531%0.313CS..Hα-helixtrans-63.3-43.8174.1-174.360.6000111F130 S136 Q137 L161 V165 V176 L177F130-L134 HydrophobicContact CE1-CD2 4.48Å; F130-L134 HydrophobicContact CZ-CD2 4.11Å; F130-L134 WeakPolarHBondContact O-CB 3.49Å; F130-L134 PolarHBondContact O-N 3.31Å; L134-S136 VanDerWaalsContact C-N 3.33Å; L134-S136 PolarHBondContact O-N 3.37Å; L134-Q137 PolarHBondContact O-N 2.91Å; L134-L161 HydrophobicContact CD1-CD1 3.33Å; L134-L161 HydrophobicContact CD1-CG 4.14Å; L134-V165 HydrophobicContact CD2-CG2 3.81Å; L134-V176 HydrophobicContact CD2-CG1 3.77Å; L134-L177 HydrophobicContact CD2-CB 4.26Å
135S94.7Very high93.3Very high51 Ų5154 Ų5436%0.35732%0.321SS..Hα-helixtrans-64.5-36.9179-53.70000112.1S131 A132 N133 Q137 V138S131-S135 PolarHBondContact O-N 2.99Å; S131-S135 VanDerWaalsContact O-N 3.09Å; S131-S135 PolarHBondContact O-OG 2.94Å; A132-S135 PolarHBondContact O-N 3.4Å; N133-S135 VanDerWaalsContact C-N 3.34Å; S135-Q137 PolarHBondContact O-N 2.95Å; S135-V138 WeakPolarHBondContact O-CG2 3.33Å; S135-V138 PolarHBondContact O-N 2.66Å
136S92.9Very high92.9Very high86 Ų8649.2 Ų49.260%0.60129%0.287SS*.THydrogen-bonded Turntrans-70-10.7179.172.50000114.2A132 N133 L134A132-S136 PolarHBondContact O-N 3.12Å; A132-S136 VanDerWaalsContact O-N 3.09Å; N133-S136 PolarHBondContact O-N 2.85Å; N133-S136 PolarHBondContact O-OG 3.23Å; L134-S136 VanDerWaalsContact C-N 3.33Å; L134-S136 PolarHBondContact O-N 3.37Å
137Q90.8Very high92.5Very high8 Ų849.4 Ų49.44%0.03729%0.285CS..THydrogen-bonded Turntrans-103.7-4.2-177.8-65.6173.93700113.4V105 N133 L134 S135 D139 M140 V141V105-Q137 HydrophobicContact CG1-CB 3.98Å; V105-Q137 VanDerWaalsContact CG1-OE1 3.28Å; N133-Q137 VanDerWaalsContact CG-NE2 3.29Å; N133-Q137 PolarHBondContact ND2-NE2 3.22Å; N133-Q137 WeakPolarHBondContact O-CG 3.37Å; N133-Q137 PolarHBondContact O-NE2 2.86Å; N133-Q137 PolarHBondContact OD1-NE2 3.43Å; L134-Q137 PolarHBondContact O-N 2.91Å; S135-Q137 PolarHBondContact O-N 2.95Å; Q137-D139 PolarHBondContact O-N 3.38Å; Q137-M140 WeakPolarHBondContact O-CB 3.48Å; Q137-M140 PolarHBondContact O-N 3.05Å; Q137-V141 PolarHBondContact O-N 3.12Å
138V93Very high91.9Very high4 Ų454.5 Ų54.52%0.02432%0.318CS..Hα-helixtrans-58.5-50.3-177.5175.20000111.4S135 M140 V141 L142 L177 D181S135-V138 WeakPolarHBondContact O-CG2 3.33Å; S135-V138 PolarHBondContact O-N 2.66Å; V138-M140 PolarHBondContact O-N 2.76Å; V138-V141 WeakPolarHBondContact O-CG2 3.38Å; V138-V141 PolarHBondContact O-N 3.29Å; V138-V141 VanDerWaalsContact O-N 3.08Å; V138-L142 HydrophobicContact CG1-CD1 3.75Å; V138-L142 HydrophobicContact CG1-CG 4.19Å; V138-L142 WeakPolarHBondContact O-CG 3.41Å; V138-L142 PolarHBondContact O-N 3.38Å; V138-L177 HydrophobicContact CG2-CD1 3.5Å; V138-L177 VanDerWaalsContact CG2-CD1 3.5Å; V138-L177 HydrophobicContact CG2-CD2 4.46Å; V138-D181 HydrophobicContact CG1-CB 4.18Å; V138-D181 HydrophobicContact CG2-CB 4.35Å
139D92.7Very high91.3Very high132 Ų13249.4 Ų49.471%0.70630%0.301SS*.Hα-helixtrans-60.2-33-179.1-68.1-23.2000112.3Q137 L142 N143Q137-D139 PolarHBondContact O-N 3.38Å; D139-L142 PolarHBondContact O-N 3.41Å; D139-N143 PolarHBondContact O-N 3.09Å
140M91.5Very high90.8Very high55 Ų5547 Ų4727%0.27128%0.282SS..Hα-helixtrans-65.5-43.5177.2-173.1-179.3-58.500111.4P98 R102 V105 Q137 V138 N143 F146P98-M140 HydrophobicContact CB-CE 4.18Å; P98-M140 HydrophobicContact CB-SD 4.25Å; R102-M140 HydrophobicContact CB-SD 4.46Å; R102-M140 HydrophobicContact CG-SD 4.18Å; V105-M140 HydrophobicContact CG2-CG 4.47Å; V105-M140 HydrophobicContact CG2-SD 3.44Å; V105-M140 WeakPolarHBondContact CG2-SD 3.4Å; Q137-M140 WeakPolarHBondContact O-CB 3.48Å; Q137-M140 PolarHBondContact O-N 3.05Å; V138-M140 PolarHBondContact O-N 2.76Å; M140-N143 WeakPolarHBondContact O-CB 3.31Å; M140-N143 PolarHBondContact O-N 3.1Å; M140-F146 HydrophobicContact CG-CD2 4.07Å; M140-F146 HydrophobicContact CG-CE2 4.17Å; M140-F146 WeakPolarHBondContact O-CD2 3.33Å; M140-F146 HydrophobicContact SD-CE2 4.4Å
141V92.7Very high90.6Very high1 Ų147.2 Ų47.21%0.00629%0.285CS..Hα-helixtrans-76-25.4-179.5-56.70000112.7V105 Q137 V138 N143 F146 R158 L161 I185V105-V141 HydrophobicContact CB-CG1 4.41Å; V105-V141 HydrophobicContact CG1-CG1 3.42Å; V105-V141 VanDerWaalsContact CG1-CG1 3.42Å; Q137-V141 PolarHBondContact O-N 3.12Å; V138-V141 WeakPolarHBondContact O-CG2 3.38Å; V138-V141 PolarHBondContact O-N 3.29Å; V138-V141 VanDerWaalsContact O-N 3.08Å; V141-N143 PolarHBondContact O-N 2.81Å; V141-F146 HydrophobicContact CB-CD1 4.31Å; V141-F146 HydrophobicContact CB-CE1 4.32Å; V141-F146 HydrophobicContact CG1-CD1 4.35Å; V141-F146 HydrophobicContact CG1-CD2 4.35Å; V141-F146 HydrophobicContact CG1-CE1 3.92Å; V141-F146 HydrophobicContact CG1-CE2 3.93Å; V141-F146 HydrophobicContact CG1-CZ 3.71Å; V141-R158 HydrophobicContact CB-CG 4.32Å; V141-R158 VanDerWaalsContact O-CZ 3.23Å; V141-R158 PolarHBondContact O-NE 3.35Å; V141-R158 PolarHBondContact O-NH2 2.93Å; V141-L161 HydrophobicContact CB-CD2 4.29Å; V141-L161 HydrophobicContact CG1-CD2 3.96Å; V141-L161 HydrophobicContact CG2-CD2 3.64Å; V141-I185 HydrophobicContact CG2-CD1 4.43Å; V141-I185 HydrophobicContact CG2-CG1 4.2Å
142L95.3Very high90.6Very high41 Ų4147.2 Ų47.222%0.21528%0.284CS..Hα-helixtrans-72.8-14.1176.5-67.1178.4000113.3V138 D139 K184 I185 R188V138-L142 HydrophobicContact CG1-CD1 3.75Å; V138-L142 HydrophobicContact CG1-CG 4.19Å; V138-L142 WeakPolarHBondContact O-CG 3.41Å; V138-L142 PolarHBondContact O-N 3.38Å; D139-L142 PolarHBondContact O-N 3.41Å; L142-K184 HydrophobicContact CD1-CB 3.97Å; L142-K184 HydrophobicContact CD1-CD 4.09Å; L142-K184 HydrophobicContact CD2-CB 3.93Å; L142-K184 WeakPolarHBondContact CD2-O 3.42Å; L142-I185 HydrophobicContact CD2-CG1 4.1Å; L142-R188 HydrophobicContact CD2-CB 3.99Å; L142-R188 HydrophobicContact CD2-CG 4.4Å
143N92Very high90.6Very high81 Ų8144.5 Ų44.543%0.43326%0.26SS..SBendtrans-64.6141178.7-166.2-71.8000112.9D139 M140 V141 N145 F146 R158D139-N143 PolarHBondContact O-N 3.09Å; M140-N143 WeakPolarHBondContact O-CB 3.31Å; M140-N143 PolarHBondContact O-N 3.1Å; V141-N143 PolarHBondContact O-N 2.81Å; N143-N145 VanDerWaalsContact C-N 3.27Å; N143-N145 PolarHBondContact O-N 3.42Å; N143-N145 PolarHBondContact OD1-N 2.94Å; N143-F146 WeakPolarHBondContact O-CB 3.38Å; N143-F146 PolarHBondContact O-N 3.1Å; N143-R158 PolarHBondContact O-NH2 3.08Å
144D84Confident90.7Very high108 Ų10842.1 Ų42.158%0.57825%0.248SC*.THydrogen-bonded Turntrans-54-42.5176.7-68.2-48.5000112.9R188D144-R188 IonicContact OD1-CZ 2.76Å; D144-R188 IonicContact OD1-NH1 2.67Å; D144-R188 PolarHBondContact OD1-NH1 2.98Å; D144-R188 IonicContact OD1-NH2 3.93Å; D144-R188 PolarHBondContact OD1-NH2 2.94Å
145N79.6Confident90.8Very high112 Ų11242.6 Ų42.660%0.59925%0.25SC*.THydrogen-bonded Turntrans-10233.3-177.5-68.5-38.6000112R102 N143 L147R102-N145 PolarHBondContact NH1-O 2.67Å; N143-N145 VanDerWaalsContact C-N 3.27Å; N143-N145 PolarHBondContact O-N 3.42Å; N143-N145 PolarHBondContact OD1-N 2.94Å; N145-L147 PolarHBondContact O-N 2.93Å
146F86.4Confident90.7Very high1 Ų140.7 Ų40.70%0.00424%0.236CC..SBendtrans-52.1-56.4177.4171-129.1000111.1R102 V105 M140 V141 N143 A151R102-F146 HydrophobicContact CB-CE2 4.19Å; R102-F146 WeakPolarHBondContact CD-O 3.44Å; R102-F146 WeakPolarHBondContact O-CE2 3.48Å; V105-F146 HydrophobicContact CB-CE2 4.23Å; V105-F146 HydrophobicContact CB-CZ 4.04Å; V105-F146 HydrophobicContact CG1-CZ 4.35Å; V105-F146 HydrophobicContact CG2-CE2 4.1Å; V105-F146 HydrophobicContact CG2-CZ 4.41Å; M140-F146 HydrophobicContact CG-CD2 4.07Å; M140-F146 HydrophobicContact CG-CE2 4.17Å; M140-F146 WeakPolarHBondContact O-CD2 3.33Å; M140-F146 HydrophobicContact SD-CE2 4.4Å; V141-F146 HydrophobicContact CB-CD1 4.31Å; V141-F146 HydrophobicContact CB-CE1 4.32Å; V141-F146 HydrophobicContact CG1-CD1 4.35Å; V141-F146 HydrophobicContact CG1-CD2 4.35Å; V141-F146 HydrophobicContact CG1-CE1 3.92Å; V141-F146 HydrophobicContact CG1-CE2 3.93Å; V141-F146 HydrophobicContact CG1-CZ 3.71Å; N143-F146 WeakPolarHBondContact O-CB 3.38Å; N143-F146 PolarHBondContact O-N 3.1Å; F146-A151 HydrophobicContact CB-CB 4.45Å; F146-A151 HydrophobicContact CD1-CB 4.05Å
147L89.1Confident90.8Very high27 Ų2736.7 Ų36.714%0.14121%0.208CC..  trans-139.2108172-66.9173.7000110.2R102 D103 N145 A149 G150 A151 V156R102-L147 HydrophobicContact CB-CD2 4.1Å; D103-L147 HydrophobicContact CB-CD2 4.13Å; N145-L147 PolarHBondContact O-N 2.93Å; L147-A149 PolarHBondContact O-N 3.12Å; L147-G150 CarbonylContact O-C 3.59Å; L147-G150 PolarHBondContact O-N 2.88Å; L147-A151 HydrophobicContact CB-CB 4.04Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-V156 HydrophobicContact CD1-CB 4.07Å; L147-V156 HydrophobicContact CD1-CG2 3.8Å; L147-V156 WeakPolarHBondContact CD1-O 3.25Å
148P84.7Confident91Very high111 Ų11136.4 Ų36.472%0.72121%0.207SC*.THydrogen-bonded Turntrans-67.6-22.6-172.425.9-34.2000113.6
149A85.2Confident91.2Very high28 Ų2836.2 Ų36.223%0.23121%0.205CC..THydrogen-bonded Turntrans-94.215.4-179.700000113.6L147 Y216 Y217L147-A149 PolarHBondContact O-N 3.12Å; A149-Y216 CarbonylContact O-C 3.54Å; A149-Y216 VanDerWaalsContact O-CA 3.25Å; A149-Y216 WeakPolarHBondContact O-CA 3.41Å; A149-Y216 VanDerWaalsContact O-CD2 3.25Å; A149-Y216 WeakPolarHBondContact O-CD2 3.35Å; A149-Y217 HydrophobicContact CB-CD1 3.99Å; A149-Y217 HydrophobicContact CB-CD2 4.09Å; A149-Y217 HydrophobicContact CB-CE1 3.84Å; A149-Y217 HydrophobicContact CB-CE2 3.93Å; A149-Y217 HydrophobicContact CB-CG 4.13Å; A149-Y217 PolarHBondContact O-N 2.87Å
150G85.2Confident91.4Very high10 Ų1029.9 Ų29.910%0.10317%0.172CC..  trans126.910517900000110.8L147 Q215L147-G150 CarbonylContact O-C 3.59Å; L147-G150 PolarHBondContact O-N 2.88Å; G150-Q215 VanDerWaalsContact CA-O 3.27Å; G150-Q215 WeakPolarHBondContact CA-O 3.43Å
151A92.8Very high91.5Very high9 Ų927.3 Ų27.37%0.07416%0.159CC..SBendtrans-103.5-5.2-171.700000114F146 L147 G157 R158F146-A151 HydrophobicContact CB-CB 4.45Å; F146-A151 HydrophobicContact CD1-CB 4.05Å; L147-A151 HydrophobicContact CB-CB 4.04Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; A151-G157 CarbonylContact O-C 3.11Å; A151-G157 WeakPolarHBondContact O-CA 3.16Å; A151-R158 VanDerWaalsContact CB-NH1 3.27Å; A151-R158 WeakPolarHBondContact O-CG 3.39Å; A151-R158 PolarHBondContact O-N 3.42Å
152D96.3Very high91.8Very high13 Ų1327.3 Ų27.37%0.0716%0.159CC..SBendtrans-113.6-11.3-168.4-65.7-59.4000113.7R158 A159 M189 S192 Y214 I231D152-R158 VanDerWaalsContact CG-NH1 3.31Å; D152-R158 WeakPolarHBondContact OD1-CD 3.49Å; D152-R158 IonicContact OD1-CZ 2.64Å; D152-R158 IonicContact OD1-NE 2.69Å; D152-R158 IonicContact OD1-NH1 2.69Å; D152-R158 PolarHBondContact OD1-NH1 3.32Å; D152-R158 IonicContact OD2-NH1 2.67Å; D152-R158 PolarHBondContact OD2-NH1 2.98Å; D152-A159 WeakPolarHBondContact O-CB 3.43Å; D152-A159 PolarHBondContact O-N 3.01Å; D152-M189 WeakPolarHBondContact OD1-CG 3.14Å; D152-S192 VanDerWaalsContact CG-OG 3.31Å; D152-S192 PolarHBondContact OD1-OG 3.45Å; D152-S192 PolarHBondContact OD2-OG 2.85Å; D152-Y214 HydrophobicContact CB-CD1 3.58Å; D152-Y214 HydrophobicContact CB-CE1 3.66Å; D152-Y214 HydrophobicContact CB-CG 4.46Å; D152-I231 HydrophobicContact CB-CD1 4.15Å; D152-I231 WeakPolarHBondContact O-CG1 3.49Å
153E96.2Very high91.9Very high5 Ų525.3 Ų25.32%0.02315%0.149CC..SBendtrans-75.7176-173.263.269.3-112.300114.8F155 V156 G157 G160 Y216 H226E153-F155 PolarHBondContact OE1-N 3.34Å; E153-F155 WeakPolarHBondContact OE2-CB 3.29Å; E153-F155 PolarHBondContact OE2-N 2.96Å; E153-V156 WeakPolarHBondContact OE1-CA 3.44Å; E153-V156 WeakPolarHBondContact OE1-CG2 3.37Å; E153-V156 PolarHBondContact OE1-N 2.93Å; E153-G157 CarbonylContact O-C 3.51Å; E153-G157 VanDerWaalsContact O-C 3.31Å; E153-G157 WeakPolarHBondContact O-CA 3.28Å; E153-G157 PolarHBondContact O-N 3.35Å; E153-G157 VanDerWaalsContact O-N 3.13Å; E153-G157 PolarHBondContact OE1-N 3.44Å; E153-G160 PolarHBondContact O-N 2.87Å; E153-Y216 HydrophobicContact CG-CD2 3.74Å; E153-Y216 HydrophobicContact CG-CE2 4.17Å; E153-Y216 HydrophobicContact CG-CG 4.23Å; E153-H226 IonicContact OE2-CE1 3.01Å; E153-H226 IonicContact OE2-CG 3.14Å; E153-H226 IonicContact OE2-ND1 3.89Å; E153-H226 PolarHBondContact OE2-ND1 2.77Å
154M96Very high92.1Very high1 Ų121.5 Ų21.51%0.00513%0.128CC..THydrogen-bonded Turntrans-75.3-28.3-165.9-172.755.855.600114.3L108 A159 G160 M163 A225 G230 F418L108-M154 HydrophobicContact CD1-CG 4.14Å; M154-A159 HydrophobicContact CE-CB 3.99Å; M154-G160 WeakPolarHBondContact O-CA 3.39Å; M154-M163 HydrophobicContact CE-CG 3.79Å; M154-M163 HydrophobicContact SD-CB 4.04Å; M154-M163 HydrophobicContact SD-CG 3.42Å; M154-M163 WeakPolarHBondContact SD-CG 3.01Å; M154-A225 WeakPolarHBondContact CB-O 3.26Å; M154-A225 PolarHBondContact N-O 3.04Å; M154-G230 WeakPolarHBondContact CE-O 3.32Å; M154-F418 HydrophobicContact CE-CE2 3.7Å; M154-F418 HydrophobicContact CG-CE2 4.39Å; M154-F418 HydrophobicContact SD-CD2 4.45Å; M154-F418 HydrophobicContact SD-CE2 4.05Å
155F95Very high92.8Very high11 Ų1116.3 Ų16.35%0.04810%0.1CC..THydrogen-bonded Turntrans-84.2-49.5-168.2-76.824.4000112.1Y54 F107 L108 L109 E153 A225 H226 W294Y54-F155 HydrophobicContact CD1-CE2 4.36Å; Y54-F155 HydrophobicContact CD2-CE1 4.33Å; Y54-F155 AromaticContact CD2-CE2 3.92Å; Y54-F155 HydrophobicContact CD2-CE2 3.92Å; Y54-F155 AromaticContact CD2-CZ 3.69Å; Y54-F155 HydrophobicContact CD2-CZ 3.69Å; Y54-F155 HydrophobicContact CE1-CE2 4.25Å; Y54-F155 HydrophobicContact CE2-CE1 4.19Å; Y54-F155 AromaticContact CE2-CE2 3.75Å; Y54-F155 HydrophobicContact CE2-CE2 3.75Å; Y54-F155 AromaticContact CE2-CZ 3.3Å; Y54-F155 HydrophobicContact CE2-CZ 3.3Å; Y54-F155 HydrophobicContact CG-CE2 4.26Å; Y54-F155 HydrophobicContact CG-CZ 4.47Å; Y54-F155 AromaticContact CZ-CE2 3.94Å; Y54-F155 AromaticContact CZ-CZ 3.83Å; F107-F155 PolarHBondContact N-O 3.01Å; L108-F155 HydrophobicContact CB-CD1 4.4Å; L108-F155 HydrophobicContact CB-CG 4.47Å; L108-F155 HydrophobicContact CD1-CD1 3.68Å; L108-F155 HydrophobicContact CD1-CE1 3.71Å; L108-F155 PolarHBondContact N-O 3.34Å; L109-F155 HydrophobicContact CD1-CB 4.22Å; L109-F155 HydrophobicContact CD1-CD2 3.71Å; L109-F155 HydrophobicContact CD1-CG 4.43Å; L109-F155 HydrophobicContact CG-CB 4.33Å; L109-F155 HydrophobicContact CG-CD2 4.07Å; L109-F155 PolarHBondContact N-O 3.31Å; E153-F155 PolarHBondContact OE1-N 3.34Å; E153-F155 WeakPolarHBondContact OE2-CB 3.29Å; E153-F155 PolarHBondContact OE2-N 2.96Å; F155-A225 HydrophobicContact CD1-CB 4.29Å; F155-A225 HydrophobicContact CE1-CB 3.45Å; F155-A225 VanDerWaalsContact CE1-CB 3.45Å; F155-A225 HydrophobicContact CZ-CB 3.7Å; F155-H226 AromaticContact CD2-CE1 3.48Å; F155-H226 VanDerWaalsContact CD2-CE1 3.48Å; F155-H226 WeakPolarHBondContact CD2-CE1 3.38Å; F155-H226 AromaticContact CE2-CE1 3.85Å; F155-H226 AromaticContact CG-CE1 3.73Å; F155-W294 AromaticContact CE1-CH2 3.92Å; F155-W294 HydrophobicContact CE1-CH2 3.92Å; F155-W294 AromaticContact CE1-CZ3 3.92Å; F155-W294 HydrophobicContact CE1-CZ3 3.92Å; F155-W294 HydrophobicContact CZ-CZ3 4.25Å
156V93Very high93.6Very high11 Ų1111.3 Ų11.37%0.0677%0.073CC..THydrogen-bonded Turntrans-125.7-11.3-174.3-62.10000113.4D103 S106 L109 L147 E153 Y216D103-V156 HydrophobicContact CB-CB 4.05Å; D103-V156 HydrophobicContact CB-CG1 4.03Å; S106-V156 VanDerWaalsContact CB-CA 3.45Å; S106-V156 WeakPolarHBondContact CB-O 3.44Å; S106-V156 VanDerWaalsContact OG-C 3.22Å; S106-V156 WeakPolarHBondContact OG-CA 3.45Å; S106-V156 PolarHBondContact OG-O 3.49Å; L109-V156 HydrophobicContact CB-CG1 3.91Å; L109-V156 HydrophobicContact CD1-CG1 4.46Å; L147-V156 HydrophobicContact CD1-CB 4.07Å; L147-V156 HydrophobicContact CD1-CG2 3.8Å; L147-V156 WeakPolarHBondContact CD1-O 3.25Å; E153-V156 WeakPolarHBondContact OE1-CA 3.44Å; E153-V156 WeakPolarHBondContact OE1-CG2 3.37Å; E153-V156 PolarHBondContact OE1-N 2.93Å; V156-Y216 HydrophobicContact CG2-CE2 4.35Å
157G95Very high94.2Very high1 Ų111.3 Ų11.31%0.017%0.074CC..SBendtrans-89-172.2-178.200000115.9S106 A151 E153 G160 L161S106-G157 PolarHBondContact OG-O 3.15Å; A151-G157 CarbonylContact O-C 3.11Å; A151-G157 WeakPolarHBondContact O-CA 3.16Å; E153-G157 CarbonylContact O-C 3.51Å; E153-G157 VanDerWaalsContact O-C 3.31Å; E153-G157 WeakPolarHBondContact O-CA 3.28Å; E153-G157 PolarHBondContact O-N 3.35Å; E153-G157 VanDerWaalsContact O-N 3.13Å; E153-G157 PolarHBondContact OE1-N 3.44Å; G157-G160 PolarHBondContact O-N 3.28Å; G157-L161 PolarHBondContact O-N 3.46Å
158R96.1Very high94.6Very high2 Ų210 Ų101%0.0087%0.067CC..Hα-helixtrans-64.5-35.4-179.6-67.8177.1-16495.45.6113.2V141 N143 A151 D152 G160 L161 L162 I185 M189V141-R158 HydrophobicContact CB-CG 4.32Å; V141-R158 VanDerWaalsContact O-CZ 3.23Å; V141-R158 PolarHBondContact O-NE 3.35Å; V141-R158 PolarHBondContact O-NH2 2.93Å; N143-R158 PolarHBondContact O-NH2 3.08Å; A151-R158 VanDerWaalsContact CB-NH1 3.27Å; A151-R158 WeakPolarHBondContact O-CG 3.39Å; A151-R158 PolarHBondContact O-N 3.42Å; D152-R158 VanDerWaalsContact CG-NH1 3.31Å; D152-R158 WeakPolarHBondContact OD1-CD 3.49Å; D152-R158 IonicContact OD1-CZ 2.64Å; D152-R158 IonicContact OD1-NE 2.69Å; D152-R158 IonicContact OD1-NH1 2.69Å; D152-R158 PolarHBondContact OD1-NH1 3.32Å; D152-R158 IonicContact OD2-NH1 2.67Å; D152-R158 PolarHBondContact OD2-NH1 2.98Å; R158-G160 VanDerWaalsContact C-N 3.29Å; R158-G160 PolarHBondContact O-N 3.46Å; R158-L161 WeakPolarHBondContact O-CB 3.38Å; R158-L161 PolarHBondContact O-N 3.15Å; R158-L161 VanDerWaalsContact O-N 3.13Å; R158-L162 PolarHBondContact O-N 3.44Å; R158-I185 HydrophobicContact CB-CG2 4.05Å; R158-I185 HydrophobicContact CG-CG2 4.42Å; R158-M189 HydrophobicContact CB-CE 4.49Å; R158-M189 HydrophobicContact CB-CG 3.58Å; R158-M189 HydrophobicContact CB-SD 3.61Å; R158-M189 HydrophobicContact CG-CG 4.3Å
159A97.1Very high95.2Very high0 Ų08.6 Ų8.60%05%0.047CC..Hα-helixtrans-61.2-40.717400000111.5D152 M154 L161 L162 M163 M189 I231 S234D152-A159 WeakPolarHBondContact O-CB 3.43Å; D152-A159 PolarHBondContact O-N 3.01Å; M154-A159 HydrophobicContact CE-CB 3.99Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.21Å; A159-L162 PolarHBondContact O-N 2.94Å; A159-M163 PolarHBondContact O-N 2.88Å; A159-M189 HydrophobicContact CB-CE 3.79Å; A159-I231 HydrophobicContact CB-CG1 4.19Å; A159-S234 WeakPolarHBondContact CA-OG 3.37Å; A159-S234 WeakPolarHBondContact CB-OG 3.48Å
160G95.7Very high95.7Very high0 Ų011.4 Ų11.40%05%0.054CC..Hα-helixtrans-58.9-45.1171.800000112.2F107 E153 M154 G157 R158 L162 M163 T164F107-G160 WeakPolarHBondContact CB-O 3.31Å; F107-G160 WeakPolarHBondContact CG-O 3.38Å; E153-G160 PolarHBondContact O-N 2.87Å; M154-G160 WeakPolarHBondContact O-CA 3.39Å; G157-G160 PolarHBondContact O-N 3.28Å; R158-G160 VanDerWaalsContact C-N 3.29Å; R158-G160 PolarHBondContact O-N 3.46Å; G160-L162 VanDerWaalsContact C-N 3.33Å; G160-L162 PolarHBondContact O-N 3.48Å; G160-M163 CarbonylContact O-C 3.59Å; G160-M163 WeakPolarHBondContact O-CA 3.49Å; G160-M163 PolarHBondContact O-N 3.08Å; G160-T164 PolarHBondContact O-N 2.86Å; G160-T164 PolarHBondContact O-OG1 3.39Å; G160-T164 VanDerWaalsContact O-OG1 3.14Å
161L95Very high96.2Very high1 Ų113 Ų131%0.0056%0.058CC..Hα-helixtrans-59.4-44176.2-167.471.8000111.9V105 L134 V141 G157 R158 A159 M163 T164 V165 I185V105-L161 HydrophobicContact CG1-CD1 4.23Å; L134-L161 HydrophobicContact CD1-CD1 3.33Å; L134-L161 HydrophobicContact CD1-CG 4.14Å; V141-L161 HydrophobicContact CB-CD2 4.29Å; V141-L161 HydrophobicContact CG1-CD2 3.96Å; V141-L161 HydrophobicContact CG2-CD2 3.64Å; G157-L161 PolarHBondContact O-N 3.46Å; R158-L161 WeakPolarHBondContact O-CB 3.38Å; R158-L161 PolarHBondContact O-N 3.15Å; R158-L161 VanDerWaalsContact O-N 3.13Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.21Å; L161-M163 VanDerWaalsContact C-N 3.28Å; L161-M163 PolarHBondContact O-N 2.7Å; L161-T164 WeakPolarHBondContact O-CA 3.45Å; L161-T164 VanDerWaalsContact O-CB 3.25Å; L161-T164 WeakPolarHBondContact O-CB 3.25Å; L161-T164 PolarHBondContact O-N 3.24Å; L161-V165 WeakPolarHBondContact O-CG2 3.33Å; L161-V165 PolarHBondContact O-N 2.91Å; L161-I185 HydrophobicContact CD2-CD1 3.82Å
162L97.5Very high96.4Very high0 Ų013.2 Ų13.20%06%0.058CC..Hα-helixtrans-59.5-38.1173.8-72.1-170.5000111.9R158 A159 G160 T164 V165 L166 V182 I185 I186 M189 L235 F238R158-L162 PolarHBondContact O-N 3.44Å; A159-L162 PolarHBondContact O-N 2.94Å; G160-L162 VanDerWaalsContact C-N 3.33Å; G160-L162 PolarHBondContact O-N 3.48Å; L162-T164 VanDerWaalsContact C-N 3.32Å; L162-T164 PolarHBondContact O-N 3.42Å; L162-V165 WeakPolarHBondContact O-CB 3.46Å; L162-V165 PolarHBondContact O-N 3.29Å; L162-L166 WeakPolarHBondContact O-CB 3.49Å; L162-L166 PolarHBondContact O-N 3.45Å; L162-V182 HydrophobicContact CD2-CG1 3.95Å; L162-I185 HydrophobicContact CD1-CG2 4.41Å; L162-I185 HydrophobicContact CD2-CB 4.21Å; L162-I185 HydrophobicContact CD2-CG2 3.77Å; L162-I185 HydrophobicContact CG-CG2 3.94Å; L162-I186 HydrophobicContact CD1-CG1 4.01Å; L162-M189 HydrophobicContact CD1-CE 4.23Å; L162-M189 HydrophobicContact CD1-SD 3.56Å; L162-M189 VanDerWaalsContact CD1-SD 3.56Å; L162-M189 HydrophobicContact CG-SD 4.18Å; L162-L235 HydrophobicContact CD1-CD2 4.37Å; L162-F238 HydrophobicContact CB-CE2 3.87Å; L162-F238 HydrophobicContact CD1-CE2 4.49Å; L162-F238 HydrophobicContact CD2-CE2 4.19Å; L162-F238 HydrophobicContact CD2-CZ 4.5Å; L162-F238 HydrophobicContact CG-CE2 4.41Å; L162-F238 WeakPolarHBondContact O-CZ 3.4Å
163M97.2Very high96.2Very high0 Ų019.7 Ų19.70%09%0.093CC..Hα-helixtrans-70-28.2173.9-68.2-51.583.300113.8F107 M154 A159 G160 L161 L166 N167 F238F107-M163 HydrophobicContact CD1-CB 3.72Å; F107-M163 HydrophobicContact CE1-CB 3.51Å; F107-M163 HydrophobicContact CZ-CB 4.15Å; M154-M163 HydrophobicContact CE-CG 3.79Å; M154-M163 HydrophobicContact SD-CB 4.04Å; M154-M163 HydrophobicContact SD-CG 3.42Å; M154-M163 WeakPolarHBondContact SD-CG 3.01Å; A159-M163 PolarHBondContact O-N 2.88Å; G160-M163 CarbonylContact O-C 3.59Å; G160-M163 WeakPolarHBondContact O-CA 3.49Å; G160-M163 PolarHBondContact O-N 3.08Å; L161-M163 VanDerWaalsContact C-N 3.28Å; L161-M163 PolarHBondContact O-N 2.7Å; M163-L166 HydrophobicContact CE-CB 3.99Å; M163-L166 HydrophobicContact CE-CD2 3.53Å; M163-L166 HydrophobicContact CE-CG 4.45Å; M163-L166 HydrophobicContact SD-CD2 3.72Å; M163-N167 WeakPolarHBondContact O-CB 3.2Å; M163-N167 PolarHBondContact O-N 3.03Å; M163-N167 PolarHBondContact O-ND2 3.15Å; M163-F238 HydrophobicContact CE-CE2 4.11Å
164T97Very high96.1Very high0 Ų020.3 Ų20.30%010%0.097CC..Hα-helixtrans-65.5-47.9169.7-55.60000110.7F107 A112 F130 G160 L161 L162 L166 G168F107-T164 WeakPolarHBondContact CB-OG1 3.29Å; F107-T164 HydrophobicContact CD2-CG2 4.5Å; F107-T164 WeakPolarHBondContact CD2-OG1 3.29Å; F107-T164 WeakPolarHBondContact CG-OG1 3.43Å; A112-T164 HydrophobicContact CB-CG2 3.87Å; F130-T164 HydrophobicContact CE2-CG2 3.67Å; F130-T164 HydrophobicContact CZ-CG2 3.59Å; G160-T164 PolarHBondContact O-N 2.86Å; G160-T164 PolarHBondContact O-OG1 3.39Å; G160-T164 VanDerWaalsContact O-OG1 3.14Å; L161-T164 WeakPolarHBondContact O-CA 3.45Å; L161-T164 VanDerWaalsContact O-CB 3.25Å; L161-T164 WeakPolarHBondContact O-CB 3.25Å; L161-T164 PolarHBondContact O-N 3.24Å; L162-T164 VanDerWaalsContact C-N 3.32Å; L162-T164 PolarHBondContact O-N 3.42Å; T164-L166 PolarHBondContact O-N 2.87Å; T164-G168 PolarHBondContact O-N 3.41Å
165V97.8Very high96Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-57.6-49.6175.6175.30000110.2L134 L161 L162 G168 R169 V176 L177 V182 F238L134-V165 HydrophobicContact CD2-CG2 3.81Å; L161-V165 WeakPolarHBondContact O-CG2 3.33Å; L161-V165 PolarHBondContact O-N 2.91Å; L162-V165 WeakPolarHBondContact O-CB 3.46Å; L162-V165 PolarHBondContact O-N 3.29Å; V165-G168 PolarHBondContact O-N 2.94Å; V165-R169 HydrophobicContact CG1-CG 4.25Å; V165-R169 WeakPolarHBondContact O-CG 3.33Å; V165-R169 PolarHBondContact O-N 3.26Å; V165-V176 HydrophobicContact CG1-CG1 4.35Å; V165-L177 HydrophobicContact CG1-CB 4.33Å; V165-L177 HydrophobicContact CG2-CB 4.12Å; V165-L177 HydrophobicContact CG2-CD2 3.63Å; V165-V182 HydrophobicContact CG1-CG2 4.02Å; V165-F238 HydrophobicContact CB-CZ 4.17Å; V165-F238 HydrophobicContact CG1-CE1 4Å; V165-F238 HydrophobicContact CG1-CZ 3.98Å
166L97.8Very high96.1Very high6 Ų625.7 Ų25.73%0.03113%0.133CC..Hα-helixtrans-61.3-48.3-177.1179.462.2000112.6L162 M163 T164 G168 R169 K170 S237 F238 P419 I422L162-L166 WeakPolarHBondContact O-CB 3.49Å; L162-L166 PolarHBondContact O-N 3.45Å; M163-L166 HydrophobicContact CE-CB 3.99Å; M163-L166 HydrophobicContact CE-CD2 3.53Å; M163-L166 HydrophobicContact CE-CG 4.45Å; M163-L166 HydrophobicContact SD-CD2 3.72Å; T164-L166 PolarHBondContact O-N 2.87Å; L166-G168 VanDerWaalsContact C-N 3.29Å; L166-G168 PolarHBondContact O-N 3.35Å; L166-R169 PolarHBondContact O-N 3.18Å; L166-K170 WeakPolarHBondContact O-CB 3.32Å; L166-K170 PolarHBondContact O-N 2.59Å; L166-S237 VanDerWaalsContact CD2-CB 3.46Å; L166-F238 HydrophobicContact CB-CE2 4.35Å; L166-F238 HydrophobicContact CB-CZ 3.97Å; L166-P419 HydrophobicContact CD2-CG 3.39Å; L166-P419 HydrophobicContact CG-CG 3.8Å; L166-I422 HydrophobicContact CD1-CD1 3.73Å; L166-I422 HydrophobicContact CD1-CG1 4.1Å; L166-I422 HydrophobicContact CD1-CG2 3.94Å; L166-I422 HydrophobicContact CD2-CD1 3.9Å; L166-I422 HydrophobicContact CG-CD1 4.42Å
167N98.1Very high96.2Very high1 Ų125.6 Ų25.61%0.00513%0.132CC..Hα-helixtrans-64.7-37177-81.7-84.3000111.7L116 M163 K170 K171 L417L116-N167 HydrophobicContact CD2-CB 3.58Å; M163-N167 WeakPolarHBondContact O-CB 3.2Å; M163-N167 PolarHBondContact O-N 3.03Å; M163-N167 PolarHBondContact O-ND2 3.15Å; N167-K170 PolarHBondContact O-N 3.05Å; N167-K171 VanDerWaalsContact O-CB 3.28Å; N167-K171 WeakPolarHBondContact O-CB 3.39Å; N167-K171 WeakPolarHBondContact O-CG 3.44Å; N167-K171 PolarHBondContact O-N 2.7Å; N167-K171 VanDerWaalsContact O-N 3.1Å; N167-K171 PolarHBondContact OD1-NZ 2.95Å; N167-L417 PolarHBondContact ND2-O 2.67Å
168G97.8Very high96.3Very high0 Ų028.9 Ų28.90%015%0.153CC..Hα-helixtrans-59.6-52.917300000112T164 V165 L166 K170 K171 L172T164-G168 PolarHBondContact O-N 3.41Å; V165-G168 PolarHBondContact O-N 2.94Å; L166-G168 VanDerWaalsContact C-N 3.29Å; L166-G168 PolarHBondContact O-N 3.35Å; G168-K170 VanDerWaalsContact C-N 3.29Å; G168-K170 PolarHBondContact O-N 3.37Å; G168-K171 PolarHBondContact O-N 3.34Å; G168-L172 VanDerWaalsContact O-CB 3.25Å; G168-L172 WeakPolarHBondContact O-CB 3.45Å; G168-L172 WeakPolarHBondContact O-CG 3.46Å; G168-L172 PolarHBondContact O-N 3.23Å
169R97.2Very high96.4Very high82 Ų8232.4 Ų32.431%0.30917%0.172SC..Hα-helixtrans-59.5-37.9179-70.8-177.9178-163.1-3.4112.7V165 L166 V176 L177 D179V165-R169 HydrophobicContact CG1-CG 4.25Å; V165-R169 WeakPolarHBondContact O-CG 3.33Å; V165-R169 PolarHBondContact O-N 3.26Å; L166-R169 PolarHBondContact O-N 3.18Å; R169-V176 HydrophobicContact CG-CB 3.87Å; R169-V176 PolarHBondContact NE-O 2.9Å; R169-L177 PolarHBondContact NH2-O 2.72Å; R169-D179 IonicContact CZ-OD1 3.92Å; R169-D179 IonicContact NH1-OD1 3.01Å; R169-D179 PolarHBondContact NH1-OD1 3.3Å; R169-D179 IonicContact NH2-OD1 3.92Å; R169-D179 PolarHBondContact NH2-OD1 2.9Å
170K95.8Very high96.5Very high87 Ų8738 Ų3838%0.37820%0.202SC..Hα-helixtrans-74-30.4-179.1-175.3167.4-176.4171.50113.4L166 N167 G168 E414 P419 F421L166-K170 WeakPolarHBondContact O-CB 3.32Å; L166-K170 PolarHBondContact O-N 2.59Å; N167-K170 PolarHBondContact O-N 3.05Å; G168-K170 VanDerWaalsContact C-N 3.29Å; G168-K170 PolarHBondContact O-N 3.37Å; K170-E414 WeakPolarHBondContact CE-OE2 3.35Å; K170-E414 IonicContact NZ-OE2 2.69Å; K170-E414 PolarHBondContact NZ-OE2 3.14Å; K170-P419 HydrophobicContact CD-CB 4.42Å; K170-F421 PolarHBondContact NZ-O 3.2Å
171K96.3Very high96.6Very high43 Ų4339.5 Ų39.519%0.18721%0.21CC..Hα-helixtrans-120.5-14.8-164.4-60.3172.2166.679.90114.4W65 L120 N167 G168 E414W65-K171 HydrophobicContact CH2-CB 4.44Å; W65-K171 HydrophobicContact CH2-CD 3.61Å; W65-K171 HydrophobicContact CH2-CG 4.18Å; W65-K171 HydrophobicContact CZ3-CD 4.06Å; L120-K171 HydrophobicContact CD1-CD 4.45Å; L120-K171 HydrophobicContact CD2-CB 3.51Å; L120-K171 HydrophobicContact CD2-CD 4.46Å; N167-K171 VanDerWaalsContact O-CB 3.28Å; N167-K171 WeakPolarHBondContact O-CB 3.39Å; N167-K171 WeakPolarHBondContact O-CG 3.44Å; N167-K171 PolarHBondContact O-N 2.7Å; N167-K171 VanDerWaalsContact O-N 3.1Å; N167-K171 PolarHBondContact OD1-NZ 2.95Å; G168-K171 PolarHBondContact O-N 3.34Å; K171-E414 IonicContact NZ-OE1 2.79Å; K171-E414 PolarHBondContact NZ-OE1 3.15Å
172L96.9Very high96.8Very high13 Ų1339.4 Ų39.47%0.06821%0.21CC..  trans-108.8144.1179.4-54.9177.2000111.3L116 A119 L120 F130 G168 V174 V176L116-L172 HydrophobicContact CD1-CD1 4.02Å; L116-L172 HydrophobicContact CD1-CG 4.41Å; A119-L172 HydrophobicContact CB-CD1 3.96Å; A119-L172 HydrophobicContact CB-CD2 3.97Å; L120-L172 HydrophobicContact CD2-CD2 3.5Å; L120-L172 VanDerWaalsContact CD2-CD2 3.5Å; L120-L172 HydrophobicContact CD2-CG 4.29Å; L120-L172 HydrophobicContact CG-CD2 4.06Å; F130-L172 HydrophobicContact CD1-CD1 3.62Å; F130-L172 HydrophobicContact CE1-CD1 3.75Å; G168-L172 VanDerWaalsContact O-CB 3.25Å; G168-L172 WeakPolarHBondContact O-CB 3.45Å; G168-L172 WeakPolarHBondContact O-CG 3.46Å; G168-L172 PolarHBondContact O-N 3.23Å; L172-V174 HydrophobicContact CB-CG2 3.95Å; L172-V174 HydrophobicContact CD1-CG2 4.33Å; L172-V174 PolarHBondContact O-N 3.17Å; L172-V176 HydrophobicContact CD1-CG2 4.26Å
173N92.4Very high96.8Very high149 Ų14940.1 Ų40.180%0.79722%0.215SC*.SBendtrans-91.845.1175.5-64.6-31.8000111.5Q124Q124-N173 PolarHBondContact NE2-O 3.41Å
174V93.8Very high96.9Very high18 Ų1845 Ų4511%0.10924%0.236CC..SBendtrans-136.7152.6173.7-67.30000109.6K128 L172 V176K128-V174 HydrophobicContact CG-CG1 4.11Å; L172-V174 HydrophobicContact CB-CG2 3.95Å; L172-V174 HydrophobicContact CD1-CG2 4.33Å; L172-V174 PolarHBondContact O-N 3.17Å; V174-V176 HydrophobicContact CG2-CG2 4.06Å; V174-V176 PolarHBondContact O-N 3.22Å
175P93.2Very high96.9Very high121 Ų12145 Ų4579%0.78624%0.236SC*.  trans-57.2128.2164.7-2233.8000110.1S131S131-P175 WeakPolarHBondContact CB-O 3.22Å; S131-P175 PolarHBondContact OG-O 3.45Å
176V96.7Very high96.9Very high4 Ų445 Ų452%0.02424%0.237CC..  trans-118.7104.2177-179.10000108.6F130 L134 V165 R169 L172 V174F130-V176 HydrophobicContact CE1-CG1 3.89Å; F130-V176 HydrophobicContact CE1-CG2 4.29Å; F130-V176 HydrophobicContact CZ-CG1 4.47Å; L134-V176 HydrophobicContact CD2-CG1 3.77Å; V165-V176 HydrophobicContact CG1-CG1 4.35Å; R169-V176 HydrophobicContact CG-CB 3.87Å; R169-V176 PolarHBondContact NE-O 2.9Å; L172-V176 HydrophobicContact CD1-CG2 4.26Å; V174-V176 HydrophobicContact CG2-CG2 4.06Å; V174-V176 PolarHBondContact O-N 3.22Å
177L96.6Very high97Very high9 Ų946.9 Ų46.95%0.04725%0.247CC..SBendtrans55.9128-179.7-165.468.1000113.9L134 V138 V165 R169 D181 V182 I185L134-L177 HydrophobicContact CD2-CB 4.26Å; V138-L177 HydrophobicContact CG2-CD1 3.5Å; V138-L177 VanDerWaalsContact CG2-CD1 3.5Å; V138-L177 HydrophobicContact CG2-CD2 4.46Å; V165-L177 HydrophobicContact CG1-CB 4.33Å; V165-L177 HydrophobicContact CG2-CB 4.12Å; V165-L177 HydrophobicContact CG2-CD2 3.63Å; R169-L177 PolarHBondContact NH2-O 2.72Å; L177-D181 HydrophobicContact CD1-CB 3.86Å; L177-D181 HydrophobicContact CD2-CB 4.28Å; L177-D181 HydrophobicContact CG-CB 3.93Å; L177-V182 HydrophobicContact CD2-CG2 3.88Å; L177-V182 HydrophobicContact CG-CG2 4.25Å; L177-I185 HydrophobicContact CD2-CD1 3.91Å
178P97Very high96.9Very high70 Ų7048.7 Ų48.746%0.45525%0.253SS..  trans-60.8149.5176.9-23.334.7000113D180 D181 V182P178-D180 PolarHBondContact O-N 3.35Å; P178-D181 PolarHBondContact O-N 2.7Å; P178-D181 VanDerWaalsContact O-N 3.08Å; P178-V182 PolarHBondContact O-N 3.41Å; P178-V182 VanDerWaalsContact O-N 3.12Å
179D98Very high96.9Very high77 Ų7748.7 Ų48.741%0.41225%0.253SS..Hα-helixtrans-59.9-33.6177.7-77.2-9.5000112.5R169 D181 V182 A183 I241R169-D179 IonicContact CZ-OD1 3.92Å; R169-D179 IonicContact NH1-OD1 3.01Å; R169-D179 PolarHBondContact NH1-OD1 3.3Å; R169-D179 IonicContact NH2-OD1 3.92Å; R169-D179 PolarHBondContact NH2-OD1 2.9Å; D179-D181 VanDerWaalsContact C-N 3.28Å; D179-D181 PolarHBondContact O-N 2.93Å; D179-V182 PolarHBondContact O-N 3.22Å; D179-A183 WeakPolarHBondContact O-CB 3.35Å; D179-A183 PolarHBondContact O-N 2.64Å; D179-I241 HydrophobicContact CB-CD1 3.97Å; D179-I241 HydrophobicContact CB-CG1 4.42Å; D179-I241 WeakPolarHBondContact OD1-CD1 3.32Å
180D98Very high97Very high117 Ų11745 Ų4563%0.62624%0.24SC*.Hα-helixtrans-60.1-38.2175.1-70.3-7.4000112.3P178 A183 K184P178-D180 PolarHBondContact O-N 3.35Å; D180-A183 PolarHBondContact O-N 3.34Å; D180-K184 VanDerWaalsContact O-CG 3.3Å; D180-K184 WeakPolarHBondContact O-CG 3.24Å; D180-K184 PolarHBondContact O-N 3.48Å
181D98.2Very high97.1Very high31 Ų3143.4 Ų43.417%0.16624%0.235CC..Hα-helixtrans-76.1-36.2178.1-69.2-28.3000111.3V138 L177 P178 D179 A183 K184 I185V138-D181 HydrophobicContact CG1-CB 4.18Å; V138-D181 HydrophobicContact CG2-CB 4.35Å; L177-D181 HydrophobicContact CD1-CB 3.86Å; L177-D181 HydrophobicContact CD2-CB 4.28Å; L177-D181 HydrophobicContact CG-CB 3.93Å; P178-D181 PolarHBondContact O-N 2.7Å; P178-D181 VanDerWaalsContact O-N 3.08Å; D179-D181 VanDerWaalsContact C-N 3.28Å; D179-D181 PolarHBondContact O-N 2.93Å; D181-A183 VanDerWaalsContact C-N 3.32Å; D181-A183 PolarHBondContact O-N 3.17Å; D181-K184 PolarHBondContact O-N 3.1Å; D181-K184 IonicContact OD1-NZ 2.59Å; D181-K184 PolarHBondContact OD1-NZ 3.08Å; D181-I185 WeakPolarHBondContact O-CD1 3.35Å; D181-I185 WeakPolarHBondContact O-CG1 3.28Å; D181-I185 PolarHBondContact O-N 3.49Å
182V98.5Very high97.1Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-61.5-42.3170.61770000110.9L162 V165 L177 P178 D179 K184 I185 I186 F238 I241L162-V182 HydrophobicContact CD2-CG1 3.95Å; V165-V182 HydrophobicContact CG1-CG2 4.02Å; L177-V182 HydrophobicContact CD2-CG2 3.88Å; L177-V182 HydrophobicContact CG-CG2 4.25Å; P178-V182 PolarHBondContact O-N 3.41Å; P178-V182 VanDerWaalsContact O-N 3.12Å; D179-V182 PolarHBondContact O-N 3.22Å; V182-K184 PolarHBondContact O-N 3.09Å; V182-I185 PolarHBondContact O-N 2.99Å; V182-I186 HydrophobicContact CG1-CD1 3.94Å; V182-I186 HydrophobicContact CG1-CG1 4.45Å; V182-I186 WeakPolarHBondContact O-CG1 3.33Å; V182-I186 PolarHBondContact O-N 2.91Å; V182-F238 HydrophobicContact CG1-CD1 3.73Å; V182-F238 HydrophobicContact CG1-CE1 3.95Å; V182-F238 HydrophobicContact CG1-CG 4.02Å; V182-F238 HydrophobicContact CG1-CZ 4.46Å; V182-I241 HydrophobicContact CB-CD1 3.84Å; V182-I241 HydrophobicContact CG1-CD1 3.56Å
183A98.6Very high97.1Very high15 Ų1541.7 Ų41.712%0.12423%0.23CC..Hα-helixtrans-60.9-44.7176.700000111.5D179 D180 D181 I185 I186 D187 I241D179-A183 WeakPolarHBondContact O-CB 3.35Å; D179-A183 PolarHBondContact O-N 2.64Å; D180-A183 PolarHBondContact O-N 3.34Å; D181-A183 VanDerWaalsContact C-N 3.32Å; D181-A183 PolarHBondContact O-N 3.17Å; A183-I185 VanDerWaalsContact C-N 3.31Å; A183-I185 PolarHBondContact O-N 3.32Å; A183-I186 PolarHBondContact O-N 3.32Å; A183-D187 WeakPolarHBondContact O-CB 3.37Å; A183-D187 VanDerWaalsContact O-CG 3.28Å; A183-D187 PolarHBondContact O-N 3.4Å; A183-I241 HydrophobicContact CB-CG2 3.67Å
184K98.3Very high97.4Very high101 Ų10138.8 Ų38.844%0.43921%0.207SC..Hα-helixtrans-59.2-40.4174.3-69.2168-161.2160.80112.2L142 D180 D181 V182 R188L142-K184 HydrophobicContact CD1-CB 3.97Å; L142-K184 HydrophobicContact CD1-CD 4.09Å; L142-K184 HydrophobicContact CD2-CB 3.93Å; L142-K184 WeakPolarHBondContact CD2-O 3.42Å; D180-K184 VanDerWaalsContact O-CG 3.3Å; D180-K184 WeakPolarHBondContact O-CG 3.24Å; D180-K184 PolarHBondContact O-N 3.48Å; D181-K184 PolarHBondContact O-N 3.1Å; D181-K184 IonicContact OD1-NZ 2.59Å; D181-K184 PolarHBondContact OD1-NZ 3.08Å; V182-K184 PolarHBondContact O-N 3.09Å; K184-R188 VanDerWaalsContact O-CB 3.27Å; K184-R188 WeakPolarHBondContact O-CB 3.29Å; K184-R188 PolarHBondContact O-N 3.25Å
185I97.7Very high97.5Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-66.6-45.7177.7-66.2160.9000110.5V141 L142 R158 L161 L162 L177 D181 V182 A183 R188 M189V141-I185 HydrophobicContact CG2-CD1 4.43Å; V141-I185 HydrophobicContact CG2-CG1 4.2Å; L142-I185 HydrophobicContact CD2-CG1 4.1Å; R158-I185 HydrophobicContact CB-CG2 4.05Å; R158-I185 HydrophobicContact CG-CG2 4.42Å; L161-I185 HydrophobicContact CD2-CD1 3.82Å; L162-I185 HydrophobicContact CD1-CG2 4.41Å; L162-I185 HydrophobicContact CD2-CB 4.21Å; L162-I185 HydrophobicContact CD2-CG2 3.77Å; L162-I185 HydrophobicContact CG-CG2 3.94Å; L177-I185 HydrophobicContact CD2-CD1 3.91Å; D181-I185 WeakPolarHBondContact O-CD1 3.35Å; D181-I185 WeakPolarHBondContact O-CG1 3.28Å; D181-I185 PolarHBondContact O-N 3.49Å; V182-I185 PolarHBondContact O-N 2.99Å; A183-I185 VanDerWaalsContact C-N 3.31Å; A183-I185 PolarHBondContact O-N 3.32Å; I185-R188 WeakPolarHBondContact O-CB 3.27Å; I185-R188 PolarHBondContact O-N 3.45Å; I185-M189 HydrophobicContact CG2-CG 4.49Å; I185-M189 HydrophobicContact CG2-SD 3.96Å; I185-M189 VanDerWaalsContact O-CG 3.29Å; I185-M189 WeakPolarHBondContact O-CG 3.1Å; I185-M189 PolarHBondContact O-N 3.4Å
186I98.6Very high97.7Very high1 Ų140.1 Ų40.11%0.00520%0.2CC..Hα-helixtrans-58.6-50176-73.6171.5000110.8L162 V182 A183 R188 M189 I190 L235 F238 I241 L242L162-I186 HydrophobicContact CD1-CG1 4.01Å; V182-I186 HydrophobicContact CG1-CD1 3.94Å; V182-I186 HydrophobicContact CG1-CG1 4.45Å; V182-I186 WeakPolarHBondContact O-CG1 3.33Å; V182-I186 PolarHBondContact O-N 2.91Å; A183-I186 PolarHBondContact O-N 3.32Å; I186-R188 PolarHBondContact O-N 3.5Å; I186-M189 PolarHBondContact O-N 3.41Å; I186-I190 HydrophobicContact CG2-CD1 3.84Å; I186-I190 WeakPolarHBondContact O-CG1 3.29Å; I186-I190 PolarHBondContact O-N 3.19Å; I186-L235 HydrophobicContact CB-CD2 4.34Å; I186-L235 HydrophobicContact CG1-CD2 4.05Å; I186-L235 HydrophobicContact CG2-CD2 4.09Å; I186-F238 HydrophobicContact CD1-CB 3.89Å; I186-F238 HydrophobicContact CD1-CG 4.43Å; I186-I241 HydrophobicContact CD1-CB 4.23Å; I186-I241 HydrophobicContact CD1-CG2 3.93Å; I186-L242 HydrophobicContact CG2-CD1 3.97Å
187D98.3Very high97.7Very high46 Ų4640.1 Ų40.125%0.24620%0.201CC..Hα-helixtrans-56.8-42.5177.3-76.7-32.4000111.4A183 I190 L191 K245 N248A183-D187 WeakPolarHBondContact O-CB 3.37Å; A183-D187 VanDerWaalsContact O-CG 3.28Å; A183-D187 PolarHBondContact O-N 3.4Å; D187-I190 PolarHBondContact O-N 3.17Å; D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.45Å; D187-L191 PolarHBondContact O-N 3.39Å; D187-K245 IonicContact OD1-NZ 3.82Å; D187-K245 PolarHBondContact OD1-NZ 3.32Å; D187-K245 IonicContact OD2-NZ 3.85Å; D187-K245 PolarHBondContact OD2-NZ 3.26Å; D187-N248 PolarHBondContact OD1-ND2 3.28Å
188R97.3Very high97.8Very high38 Ų3842.5 Ų42.514%0.14322%0.218CC..Hα-helixtrans-64.4-42.9178.9-178.766-146-179.4-1.4112.3L142 D144 K184 I185 I186 L191 S192L142-R188 HydrophobicContact CD2-CB 3.99Å; L142-R188 HydrophobicContact CD2-CG 4.4Å; D144-R188 IonicContact OD1-CZ 2.76Å; D144-R188 IonicContact OD1-NH1 2.67Å; D144-R188 PolarHBondContact OD1-NH1 2.98Å; D144-R188 IonicContact OD1-NH2 3.93Å; D144-R188 PolarHBondContact OD1-NH2 2.94Å; K184-R188 VanDerWaalsContact O-CB 3.27Å; K184-R188 WeakPolarHBondContact O-CB 3.29Å; K184-R188 PolarHBondContact O-N 3.25Å; I185-R188 WeakPolarHBondContact O-CB 3.27Å; I185-R188 PolarHBondContact O-N 3.45Å; I186-R188 PolarHBondContact O-N 3.5Å; R188-L191 PolarHBondContact O-N 3.43Å; R188-S192 PolarHBondContact O-N 3.08Å; R188-S192 PolarHBondContact O-OG 3.38Å
189M98Very high97.7Very high0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-65.1-40.3177.5-69.6170.665.900111.9D152 R158 A159 L162 I185 I186 S192 G193 Y214 I231 L235D152-M189 WeakPolarHBondContact OD1-CG 3.14Å; R158-M189 HydrophobicContact CB-CE 4.49Å; R158-M189 HydrophobicContact CB-CG 3.58Å; R158-M189 HydrophobicContact CB-SD 3.61Å; R158-M189 HydrophobicContact CG-CG 4.3Å; A159-M189 HydrophobicContact CB-CE 3.79Å; L162-M189 HydrophobicContact CD1-CE 4.23Å; L162-M189 HydrophobicContact CD1-SD 3.56Å; L162-M189 VanDerWaalsContact CD1-SD 3.56Å; L162-M189 HydrophobicContact CG-SD 4.18Å; I185-M189 HydrophobicContact CG2-CG 4.49Å; I185-M189 HydrophobicContact CG2-SD 3.96Å; I185-M189 VanDerWaalsContact O-CG 3.29Å; I185-M189 WeakPolarHBondContact O-CG 3.1Å; I185-M189 PolarHBondContact O-N 3.4Å; I186-M189 PolarHBondContact O-N 3.41Å; M189-S192 PolarHBondContact O-OG 3.13Å; M189-S192 VanDerWaalsContact O-OG 3.05Å; M189-G193 PolarHBondContact O-N 3.44Å; M189-G193 VanDerWaalsContact O-N 3.1Å; M189-Y214 WeakPolarHBondContact O-CE1 3.33Å; M189-Y214 PolarHBondContact O-OH 3.43Å; M189-I231 HydrophobicContact CE-CG2 3.77Å; M189-L235 HydrophobicContact CB-CD2 4.36Å; M189-L235 HydrophobicContact CE-CD2 3.96Å; M189-L235 HydrophobicContact CE-CG 4.2Å; M189-L235 HydrophobicContact SD-CD2 4.16Å
190I98.6Very high97.6Very high4 Ų439 Ų392%0.02120%0.2CC..Hα-helixtrans-68.6-43.1177.5-70.5172.4000110.3I186 D187 G193 R194 L212 L235 L242 N248 I251 V252I186-I190 HydrophobicContact CG2-CD1 3.84Å; I186-I190 WeakPolarHBondContact O-CG1 3.29Å; I186-I190 PolarHBondContact O-N 3.19Å; D187-I190 PolarHBondContact O-N 3.17Å; I190-G193 PolarHBondContact O-N 3.47Å; I190-R194 WeakPolarHBondContact O-CB 3.44Å; I190-R194 PolarHBondContact O-N 3.37Å; I190-L212 HydrophobicContact CG1-CD1 4.34Å; I190-L212 HydrophobicContact CG2-CD2 4.26Å; I190-L212 VanDerWaalsContact O-CD2 3.31Å; I190-L212 WeakPolarHBondContact O-CD2 3.26Å; I190-L235 HydrophobicContact CG1-CD1 4.49Å; I190-L242 HydrophobicContact CD1-CD1 4.04Å; I190-N248 HydrophobicContact CD1-CB 3.45Å; I190-N248 VanDerWaalsContact CD1-CB 3.45Å; I190-I251 HydrophobicContact CG2-CD1 4.35Å; I190-V252 HydrophobicContact CD1-CG2 4.29Å
191L97.3Very high97.5Very high54 Ų5439 Ų3928%0.28319%0.194SC..Hα-helixtrans-59.5-52.1176.8-179.462.6000111.4D187 R188 G193 R194 E195D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.45Å; D187-L191 PolarHBondContact O-N 3.39Å; R188-L191 PolarHBondContact O-N 3.43Å; L191-G193 PolarHBondContact O-N 3.39Å; L191-R194 PolarHBondContact O-N 3.17Å; L191-E195 HydrophobicContact CD1-CG 4.07Å; L191-E195 WeakPolarHBondContact CD1-OE1 3.49Å; L191-E195 WeakPolarHBondContact O-CB 3.32Å; L191-E195 WeakPolarHBondContact O-CG 3.37Å; L191-E195 PolarHBondContact O-N 2.92Å
192S96.6Very high97.4Very high20 Ų2045.8 Ų45.814%0.1422%0.222CC..Hα-helixtrans-60.4-45-179.3620000111.9D152 R188 M189 Y196D152-S192 VanDerWaalsContact CG-OG 3.31Å; D152-S192 PolarHBondContact OD1-OG 3.45Å; D152-S192 PolarHBondContact OD2-OG 2.85Å; R188-S192 PolarHBondContact O-N 3.08Å; R188-S192 PolarHBondContact O-OG 3.38Å; M189-S192 PolarHBondContact O-OG 3.13Å; M189-S192 VanDerWaalsContact O-OG 3.05Å; S192-Y196 WeakPolarHBondContact O-CB 3.48Å; S192-Y196 PolarHBondContact O-N 2.97Å
193G98.1Very high97.2Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-64.6-41179.400000113.2M189 I190 L191 A197 L213 Y214M189-G193 PolarHBondContact O-N 3.44Å; M189-G193 VanDerWaalsContact O-N 3.1Å; I190-G193 PolarHBondContact O-N 3.47Å; L191-G193 PolarHBondContact O-N 3.39Å; G193-A197 WeakPolarHBondContact O-CB 3.36Å; G193-A197 PolarHBondContact O-N 2.91Å; G193-L213 WeakPolarHBondContact CA-O 3.43Å; G193-L213 PolarHBondContact O-N 3.35Å; G193-L213 VanDerWaalsContact O-N 3.14Å; G193-Y214 VanDerWaalsContact CA-CE1 3.41Å
194R98Very high96.8Very high88 Ų8857.5 Ų57.533%0.33227%0.271SS..Hα-helixtrans-69.8-43-179.6-175.6179.466-177.1-2.2112.2I190 L191 S198 L212 E247I190-R194 WeakPolarHBondContact O-CB 3.44Å; I190-R194 PolarHBondContact O-N 3.37Å; L191-R194 PolarHBondContact O-N 3.17Å; R194-S198 VanDerWaalsContact O-CB 3.3Å; R194-S198 WeakPolarHBondContact O-CB 3.29Å; R194-S198 PolarHBondContact O-N 2.61Å; R194-S198 PolarHBondContact O-OG 3.33Å; R194-L212 HydrophobicContact CB-CD2 4.01Å; R194-E247 IonicContact NH1-OE1 3.54Å; R194-E247 PolarHBondContact NH1-OE1 3.48Å
195E96.3Very high96.3Very high107 Ų10757 Ų5750%0.528%0.278SS..Hα-helixtrans-65.1-42.3177.8-73.6-178160.900111.5L191 S198 S199L191-E195 HydrophobicContact CD1-CG 4.07Å; L191-E195 WeakPolarHBondContact CD1-OE1 3.49Å; L191-E195 WeakPolarHBondContact O-CB 3.32Å; L191-E195 WeakPolarHBondContact O-CG 3.37Å; L191-E195 PolarHBondContact O-N 2.92Å; E195-S198 PolarHBondContact O-N 3.44Å; E195-S199 WeakPolarHBondContact O-CB 3.44Å; E195-S199 PolarHBondContact O-N 3.25Å; E195-S199 PolarHBondContact O-OG 2.91Å
196Y96.2Very high95.7Very high60 Ų6065.5 Ų65.524%0.23532%0.318CS..Hα-helixtrans-66.3-47.6176.6-170.6-89.6000111.5S192 S198 S199 F200 L213 Q215 H220S192-Y196 WeakPolarHBondContact O-CB 3.48Å; S192-Y196 PolarHBondContact O-N 2.97Å; Y196-S198 VanDerWaalsContact C-N 3.31Å; Y196-S198 PolarHBondContact O-N 3.43Å; Y196-S199 PolarHBondContact O-N 2.8Å; Y196-F200 HydrophobicContact CE1-CB 4.43Å; Y196-F200 HydrophobicContact CE1-CD2 4.31Å; Y196-F200 WeakPolarHBondContact O-CB 3.22Å; Y196-F200 PolarHBondContact O-N 3.46Å; Y196-L213 WeakPolarHBondContact CB-O 3.35Å; Y196-L213 HydrophobicContact CD1-CB 4.1Å; Y196-L213 HydrophobicContact CD1-CD2 3.99Å; Y196-L213 HydrophobicContact CD1-CG 3.9Å; Y196-L213 WeakPolarHBondContact CD1-O 3.48Å; Y196-L213 HydrophobicContact CE1-CD2 3.85Å; Y196-L213 HydrophobicContact CE1-CG 4.01Å; Y196-Q215 HydrophobicContact CE1-CB 4.36Å; Y196-Q215 HydrophobicContact CE1-CG 4.44Å; Y196-Q215 HydrophobicContact CE2-CB 4.49Å; Y196-Q215 HydrophobicContact CE2-CG 3.77Å; Y196-Q215 PolarHBondContact OH-OE1 2.89Å; Y196-H220 AromaticContact CE1-CD2 3.63Å; Y196-H220 AromaticContact CE1-NE2 3.36Å; Y196-H220 WeakPolarHBondContact CE1-NE2 3.36Å; Y196-H220 AromaticContact CZ-NE2 3.54Å; Y196-H220 PolarHBondContact OH-NE2 3.07Å
197A97.7Very high95.1Very high5 Ų566.1 Ų66.14%0.04132%0.322CS..Hα-helixtrans-55.7-45.4175.200000112.3G193 S199 F200 K201 V209 P211 L213G193-A197 WeakPolarHBondContact O-CB 3.36Å; G193-A197 PolarHBondContact O-N 2.91Å; A197-S199 VanDerWaalsContact C-N 3.35Å; A197-S199 PolarHBondContact O-N 3.32Å; A197-F200 PolarHBondContact O-N 3.29Å; A197-K201 WeakPolarHBondContact O-CB 3.44Å; A197-K201 PolarHBondContact O-N 3.32Å; A197-V209 HydrophobicContact CB-CG1 4.1Å; A197-P211 WeakPolarHBondContact CB-O 3.3Å; A197-L213 HydrophobicContact CB-CB 3.7Å
198S97.3Very high94.8Very high59 Ų5968.4 Ų68.441%0.41333%0.334SS..Hα-helixtrans-62.3-42.3178.5-62.60000111.9R194 E195 Y196 K202R194-S198 VanDerWaalsContact O-CB 3.3Å; R194-S198 WeakPolarHBondContact O-CB 3.29Å; R194-S198 PolarHBondContact O-N 2.61Å; R194-S198 PolarHBondContact O-OG 3.33Å; E195-S198 PolarHBondContact O-N 3.44Å; Y196-S198 VanDerWaalsContact C-N 3.31Å; Y196-S198 PolarHBondContact O-N 3.43Å; S198-K202 WeakPolarHBondContact O-CG 3.37Å; S198-K202 PolarHBondContact O-N 3.24Å
199S96.6Very high94.7Very high61 Ų6167.3 Ų67.343%0.42733%0.332SS..Hα-helixtrans-67.6-43.6177.7-59.10000111.3E195 Y196 A197 K202 M203E195-S199 WeakPolarHBondContact O-CB 3.44Å; E195-S199 PolarHBondContact O-N 3.25Å; E195-S199 PolarHBondContact O-OG 2.91Å; Y196-S199 PolarHBondContact O-N 2.8Å; A197-S199 VanDerWaalsContact C-N 3.35Å; A197-S199 PolarHBondContact O-N 3.32Å; S199-K202 PolarHBondContact O-N 3.4Å; S199-M203 PolarHBondContact O-N 2.78Å
200F95.7Very high94.7Very high12 Ų1267.4 Ų67.45%0.05333%0.332CS..Hα-helixtrans-62-46.9177.7-168.6-87.7000111.9Y196 A197 K202 M203 R204 V209 L213 H220 L273 M277Y196-F200 HydrophobicContact CE1-CB 4.43Å; Y196-F200 HydrophobicContact CE1-CD2 4.31Å; Y196-F200 WeakPolarHBondContact O-CB 3.22Å; Y196-F200 PolarHBondContact O-N 3.46Å; A197-F200 PolarHBondContact O-N 3.29Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.3Å; F200-M203 CarbonylContact O-C 3.31Å; F200-M203 PolarHBondContact O-N 3.01Å; F200-R204 HydrophobicContact CD1-CB 4.46Å; F200-R204 HydrophobicContact CE1-CB 4.13Å; F200-R204 HydrophobicContact CE1-CG 4.12Å; F200-R204 HydrophobicContact CZ-CG 4.21Å; F200-R204 PolarHBondContact O-N 2.7Å; F200-V209 HydrophobicContact CD1-CG2 3.78Å; F200-V209 HydrophobicContact CE1-CG2 4.22Å; F200-L213 HydrophobicContact CB-CD2 3.74Å; F200-L213 HydrophobicContact CD1-CD2 3.75Å; F200-L213 HydrophobicContact CD2-CD2 4.06Å; F200-L213 HydrophobicContact CE1-CD2 4.38Å; F200-L213 HydrophobicContact CG-CD2 3.56Å; F200-H220 AromaticContact CD2-CE1 3.94Å; F200-H220 AromaticContact CD2-NE2 3.59Å; F200-H220 AromaticContact CE2-CE1 3.33Å; F200-H220 WeakPolarHBondContact CE2-CE1 2.98Å; F200-H220 AromaticContact CE2-NE2 3.47Å; F200-H220 WeakPolarHBondContact CE2-NE2 3.38Å; F200-L273 HydrophobicContact CD1-CD2 4.42Å; F200-L273 HydrophobicContact CE1-CD2 3.84Å; F200-L273 HydrophobicContact CZ-CD2 4.23Å; F200-M277 HydrophobicContact CE1-CE 3.75Å; F200-M277 HydrophobicContact CZ-CE 3.75Å
201K95.3Very high94.7Very high117 Ų11769.5 Ų69.551%0.50935%0.346SS..Hα-helixtrans-60.8-36.5177.6-173.4172.1-176.4170.80112.7A197 M203 R204 P205 V209A197-K201 WeakPolarHBondContact O-CB 3.44Å; A197-K201 PolarHBondContact O-N 3.32Å; K201-M203 VanDerWaalsContact C-N 3.32Å; K201-M203 PolarHBondContact O-N 3.45Å; K201-R204 CarbonylContact O-C 3.57Å; K201-R204 PolarHBondContact O-N 2.98Å; K201-P205 VanDerWaalsContact O-CA 3.26Å; K201-P205 WeakPolarHBondContact O-CA 3.41Å; K201-P205 VanDerWaalsContact O-N 3.11Å; K201-V209 HydrophobicContact CB-CB 4.44Å; K201-V209 HydrophobicContact CB-CG2 4.24Å
202K96.2Very high94.8Very high173 Ų17366.9 Ų66.975%0.75233%0.332SS*.Hα-helixtrans-63.5-37.4173.6-73.9171.8-176.7176.70112.5S198 S199 F200S198-K202 WeakPolarHBondContact O-CG 3.37Å; S198-K202 PolarHBondContact O-N 3.24Å; S199-K202 PolarHBondContact O-N 3.4Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.3Å
203M93.6Very high94.9Very high137 Ų13766.1 Ų66.168%0.67533%0.327SS*.Hα-helixtrans-76.9-26.7177.2-65.3-177-69.700112.5S199 F200 K201S199-M203 PolarHBondContact O-N 2.78Å; F200-M203 CarbonylContact O-C 3.31Å; F200-M203 PolarHBondContact O-N 3.01Å; K201-M203 VanDerWaalsContact C-N 3.32Å; K201-M203 PolarHBondContact O-N 3.45Å
204R90.9Very high94.9Very high124 Ų12467 Ų6747%0.46833%0.33SS..  trans-133.169.7-176.3-60.5-122-178.8177.61.8110.7F200 K201 E206 S207F200-R204 HydrophobicContact CD1-CB 4.46Å; F200-R204 HydrophobicContact CE1-CB 4.13Å; F200-R204 HydrophobicContact CE1-CG 4.12Å; F200-R204 HydrophobicContact CZ-CG 4.21Å; F200-R204 PolarHBondContact O-N 2.7Å; K201-R204 CarbonylContact O-C 3.57Å; K201-R204 PolarHBondContact O-N 2.98Å; R204-E206 PolarHBondContact O-N 3.36Å; R204-S207 VanDerWaalsContact CB-OG 3.32Å; R204-S207 WeakPolarHBondContact CB-OG 3.47Å; R204-S207 WeakPolarHBondContact O-CB 3.49Å; R204-S207 PolarHBondContact O-N 2.72Å; R204-S207 PolarHBondContact O-OG 2.91Å
205P87.5Confident94.7Very high91 Ų9165.6 Ų65.659%0.59133%0.327SS*.THydrogen-bonded Turntrans-62-27.9-171.922.9-33.6000114K201 S207K201-P205 VanDerWaalsContact O-CA 3.26Å; K201-P205 WeakPolarHBondContact O-CA 3.41Å; K201-P205 VanDerWaalsContact O-N 3.11Å; P205-S207 VanDerWaalsContact C-N 3.28Å; P205-S207 PolarHBondContact O-N 3.27Å
206E86.1Confident94.7Very high179 Ų17962.4 Ų62.484%0.83631%0.311SS*.THydrogen-bonded Turntrans-79.7-5.8178.7-56.3-58.8158.900113.9R204R204-E206 PolarHBondContact O-N 3.36Å
207S86.6Confident94.5Very high14 Ų1466.9 Ų66.910%0.09833%0.328CS..SBendtrans-84.7137.4-177.461.30000112.2R204 P205 V209R204-S207 VanDerWaalsContact CB-OG 3.32Å; R204-S207 WeakPolarHBondContact CB-OG 3.47Å; R204-S207 WeakPolarHBondContact O-CB 3.49Å; R204-S207 PolarHBondContact O-N 2.72Å; R204-S207 PolarHBondContact O-OG 2.91Å; P205-S207 VanDerWaalsContact C-N 3.28Å; P205-S207 PolarHBondContact O-N 3.27Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.49Å; S207-V209 WeakPolarHBondContact OG-CG2 3.36Å
208N91Very high94.3Very high94 Ų9476.8 Ų76.850%0.50337%0.365SS..  trans-76.583171.9-178.421.5000109.7W258N208-W258 VanDerWaalsContact CG-NE1 3.34Å; N208-W258 PolarHBondContact ND2-NE1 3.23Å; N208-W258 VanDerWaalsContact O-CZ2 3.26Å; N208-W258 WeakPolarHBondContact O-CZ2 3.46Å; N208-W258 PolarHBondContact O-NE1 2.86Å; N208-W258 PolarHBondContact OD1-NE1 3.38Å; N208-W258 VanDerWaalsContact OD1-NE1 3.11Å
209V95.9Very high94.2Very high15 Ų1576 Ų769%0.09136%0.357CS..  trans-90.5131.9-175.2-178.50000110.9A197 F200 K201 S207 L213A197-V209 HydrophobicContact CB-CG1 4.1Å; F200-V209 HydrophobicContact CD1-CG2 3.78Å; F200-V209 HydrophobicContact CE1-CG2 4.22Å; K201-V209 HydrophobicContact CB-CB 4.44Å; K201-V209 HydrophobicContact CB-CG2 4.24Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.49Å; S207-V209 WeakPolarHBondContact OG-CG2 3.36Å; V209-L213 HydrophobicContact CG1-CB 4.38Å; V209-L213 HydrophobicContact CG1-CD2 4.05Å
210P98.1Very high94.2Very high2 Ų273.5 Ų73.51%0.01334%0.339CS..  trans-65.7158.2172.924.2-30.4000112L212 L213 L228 W258P210-L212 VanDerWaalsContact CG-O 3.26Å; P210-L212 WeakPolarHBondContact CG-O 3.47Å; P210-L212 PolarHBondContact O-N 3.17Å; P210-L213 HydrophobicContact CG-CB 4.46Å; P210-L213 HydrophobicContact CG-CD1 4.22Å; P210-L228 HydrophobicContact CB-CD2 3.99Å; P210-L228 HydrophobicContact CG-CD2 3.88Å; P210-W258 HydrophobicContact CB-CB 4.38Å; P210-W258 HydrophobicContact CB-CD2 3.55Å; P210-W258 HydrophobicContact CB-CE3 3.7Å; P210-W258 HydrophobicContact CB-CG 3.84Å; P210-W258 HydrophobicContact CB-CZ3 4.24Å; P210-W258 HydrophobicContact CG-CD2 4.09Å; P210-W258 HydrophobicContact CG-CE3 4.02Å; P210-W258 HydrophobicContact CG-CH2 4.13Å; P210-W258 HydrophobicContact CG-CZ2 4.19Å; P210-W258 HydrophobicContact CG-CZ3 4.04Å
211P98.5Very high94.3Very high47 Ų4775.8 Ų75.831%0.30535%0.348SS..SBendtrans-55.8-32.2175.2-2531.8000114.5A197 I251 D254 C255A197-P211 WeakPolarHBondContact CB-O 3.3Å; P211-I251 HydrophobicContact CB-CG2 4.07Å; P211-D254 HydrophobicContact CG-CB 3.75Å; P211-C255 VanDerWaalsContact CD-SG 3.6Å
212L98.8Very high94.4Very high0 Ų070.2 Ų70.20%032%0.324CS..SBendtrans-117.5126.7172.2-58.4176.7000109.5I190 R194 P210 Y214 L228 L235 I251 V252 C255I190-L212 HydrophobicContact CG1-CD1 4.34Å; I190-L212 HydrophobicContact CG2-CD2 4.26Å; I190-L212 VanDerWaalsContact O-CD2 3.31Å; I190-L212 WeakPolarHBondContact O-CD2 3.26Å; R194-L212 HydrophobicContact CB-CD2 4.01Å; P210-L212 VanDerWaalsContact CG-O 3.26Å; P210-L212 WeakPolarHBondContact CG-O 3.47Å; P210-L212 PolarHBondContact O-N 3.17Å; L212-Y214 HydrophobicContact CB-CE2 3.81Å; L212-L228 HydrophobicContact CB-CD1 4.4Å; L212-L235 HydrophobicContact CD1-CD1 4.35Å; L212-I251 HydrophobicContact CD1-CG2 3.82Å; L212-I251 HydrophobicContact CD2-CG2 3.63Å; L212-I251 HydrophobicContact CG-CG2 3.5Å; L212-V252 HydrophobicContact CD1-CG2 4.46Å; L212-C255 PolarHBondContact N-SG 3.19Å
213L98.3Very high94.5Very high3 Ų362 Ų622%0.01629%0.288CS..  trans-132.3139.3177-176.766.1000109.3G193 Y196 A197 F200 V209 P210 H220 L273G193-L213 WeakPolarHBondContact CA-O 3.43Å; G193-L213 PolarHBondContact O-N 3.35Å; G193-L213 VanDerWaalsContact O-N 3.14Å; Y196-L213 WeakPolarHBondContact CB-O 3.35Å; Y196-L213 HydrophobicContact CD1-CB 4.1Å; Y196-L213 HydrophobicContact CD1-CD2 3.99Å; Y196-L213 HydrophobicContact CD1-CG 3.9Å; Y196-L213 WeakPolarHBondContact CD1-O 3.48Å; Y196-L213 HydrophobicContact CE1-CD2 3.85Å; Y196-L213 HydrophobicContact CE1-CG 4.01Å; A197-L213 HydrophobicContact CB-CB 3.7Å; F200-L213 HydrophobicContact CB-CD2 3.74Å; F200-L213 HydrophobicContact CD1-CD2 3.75Å; F200-L213 HydrophobicContact CD2-CD2 4.06Å; F200-L213 HydrophobicContact CE1-CD2 4.38Å; F200-L213 HydrophobicContact CG-CD2 3.56Å; V209-L213 HydrophobicContact CG1-CB 4.38Å; V209-L213 HydrophobicContact CG1-CD2 4.05Å; P210-L213 HydrophobicContact CG-CB 4.46Å; P210-L213 HydrophobicContact CG-CD1 4.22Å; L213-H220 HydrophobicContact CD1-CB 4.21Å; L213-L273 HydrophobicContact CD1-CD2 3.83Å; L213-L273 HydrophobicContact CD2-CD2 3.96Å
214Y97.9Very high94.8Very high18 Ų1855.5 Ų55.57%0.07126%0.256CS..  trans-130.2154.7-179.4-55.6-88.9000109.8D152 M189 G193 L212 L228 I231D152-Y214 HydrophobicContact CB-CD1 3.58Å; D152-Y214 HydrophobicContact CB-CE1 3.66Å; D152-Y214 HydrophobicContact CB-CG 4.46Å; M189-Y214 WeakPolarHBondContact O-CE1 3.33Å; M189-Y214 PolarHBondContact O-OH 3.43Å; G193-Y214 VanDerWaalsContact CA-CE1 3.41Å; L212-Y214 HydrophobicContact CB-CE2 3.81Å; Y214-L228 HydrophobicContact CD2-CD1 4.09Å; Y214-L228 HydrophobicContact CE2-CD1 3.95Å; Y214-I231 HydrophobicContact CD1-CD1 4.03Å; Y214-I231 HydrophobicContact CD2-CD1 3.39Å; Y214-I231 HydrophobicContact CD2-CG2 4.38Å; Y214-I231 HydrophobicContact CE1-CD1 4.43Å; Y214-I231 HydrophobicContact CE2-CB 4.41Å; Y214-I231 HydrophobicContact CE2-CD1 3.87Å; Y214-I231 HydrophobicContact CE2-CG2 3.73Å; Y214-I231 HydrophobicContact CG-CD1 3.48Å; Y214-I231 VanDerWaalsContact CG-CD1 3.48Å
215Q95.5Very high95.1Very high59 Ų5949.7 Ų49.728%0.27623%0.234SC..  trans-121.2145.4169.661.2165.330.800110.1G150 Y196 V219G150-Q215 VanDerWaalsContact CA-O 3.27Å; G150-Q215 WeakPolarHBondContact CA-O 3.43Å; Y196-Q215 HydrophobicContact CE1-CB 4.36Å; Y196-Q215 HydrophobicContact CE1-CG 4.44Å; Y196-Q215 HydrophobicContact CE2-CB 4.49Å; Y196-Q215 HydrophobicContact CE2-CG 3.77Å; Y196-Q215 PolarHBondContact OH-OE1 2.89Å; Q215-V219 WeakPolarHBondContact CA-O 3.49Å
216Y95.2Very high95.6Very high40 Ų4047 Ų4716%0.15721%0.214CC..BIsolated β-bridgetrans-126.6120.4164.9-177.8-111.1000108.1A149 E153 V156 R218 V219 Y221 H226A149-Y216 CarbonylContact O-C 3.54Å; A149-Y216 VanDerWaalsContact O-CA 3.25Å; A149-Y216 WeakPolarHBondContact O-CA 3.41Å; A149-Y216 VanDerWaalsContact O-CD2 3.25Å; A149-Y216 WeakPolarHBondContact O-CD2 3.35Å; E153-Y216 HydrophobicContact CG-CD2 3.74Å; E153-Y216 HydrophobicContact CG-CE2 4.17Å; E153-Y216 HydrophobicContact CG-CG 4.23Å; V156-Y216 HydrophobicContact CG2-CE2 4.35Å; Y216-R218 PolarHBondContact O-N 2.78Å; Y216-V219 PolarHBondContact N-O 3.13Å; Y216-V219 PolarHBondContact O-N 3.15Å; Y216-Y221 HydrophobicContact CD1-CD2 4.42Å; Y216-Y221 HydrophobicContact CD1-CE2 4.02Å; Y216-H226 HydrophobicContact CD1-CB 3.91Å; Y216-H226 AromaticContact CD1-CG 3.62Å; Y216-H226 AromaticContact CD1-ND1 3.75Å; Y216-H226 AromaticContact CE1-CE1 3.63Å; Y216-H226 AromaticContact CE1-CG 3.85Å; Y216-H226 AromaticContact CE1-ND1 3.62Å; Y216-H226 AromaticContact CE1-NE2 3.89Å; Y216-H226 HydrophobicContact CG-CB 4.24Å
217Y92.8Very high96.1Very high154 Ų15438.5 Ų38.560%0.60417%0.174SC*.THydrogen-bonded Turntrans45.846.4-171.8-72.3-90.7000113.7A149 V219A149-Y217 HydrophobicContact CB-CD1 3.99Å; A149-Y217 HydrophobicContact CB-CD2 4.09Å; A149-Y217 HydrophobicContact CB-CE1 3.84Å; A149-Y217 HydrophobicContact CB-CE2 3.93Å; A149-Y217 HydrophobicContact CB-CG 4.13Å; A149-Y217 PolarHBondContact O-N 2.87Å; Y217-V219 PolarHBondContact O-N 2.73Å
218R91.8Very high96.7Very high214 Ų21438 Ų3881%0.80817%0.171SC*.THydrogen-bonded Turntrans68.412179.2-49.8172.3178-99.9-0.4115.3Y216Y216-R218 PolarHBondContact O-N 2.78Å
219V95.6Very high97.1Very high42 Ų4233.5 Ų33.526%0.25515%0.147SC..BIsolated β-bridgetrans-111.1136.9175.7-176.90000109.9Q215 Y216 Y217 Y221 T272Q215-V219 WeakPolarHBondContact CA-O 3.49Å; Y216-V219 PolarHBondContact N-O 3.13Å; Y216-V219 PolarHBondContact O-N 3.15Å; Y217-V219 PolarHBondContact O-N 2.73Å; V219-Y221 HydrophobicContact CB-CD2 4.05Å; V219-Y221 HydrophobicContact CB-CE1 4.25Å; V219-Y221 HydrophobicContact CB-CE2 3.56Å; V219-Y221 HydrophobicContact CG1-CD1 3.81Å; V219-Y221 HydrophobicContact CG1-CD2 4.02Å; V219-Y221 HydrophobicContact CG1-CE1 3.53Å; V219-Y221 HydrophobicContact CG1-CE2 3.75Å; V219-Y221 HydrophobicContact CG1-CG 4.06Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.5Å; V219-Y221 HydrophobicContact CG2-CE2 4.38Å; V219-Y221 PolarHBondContact O-N 3.2Å; V219-T272 HydrophobicContact CG1-CG2 3.63Å
220H96.4Very high97.2Very high8 Ų832.8 Ų32.84%0.03714%0.142CC..  trans-93.468.5-179.1-5591.8000110.7Y196 F200 L213 T272 L273 E274Y196-H220 AromaticContact CE1-CD2 3.63Å; Y196-H220 AromaticContact CE1-NE2 3.36Å; Y196-H220 WeakPolarHBondContact CE1-NE2 3.36Å; Y196-H220 AromaticContact CZ-NE2 3.54Å; Y196-H220 PolarHBondContact OH-NE2 3.07Å; F200-H220 AromaticContact CD2-CE1 3.94Å; F200-H220 AromaticContact CD2-NE2 3.59Å; F200-H220 AromaticContact CE2-CE1 3.33Å; F200-H220 WeakPolarHBondContact CE2-CE1 2.98Å; F200-H220 AromaticContact CE2-NE2 3.47Å; F200-H220 WeakPolarHBondContact CE2-NE2 3.38Å; L213-H220 HydrophobicContact CD1-CB 4.21Å; H220-T272 CarbonylContact O-C 3.56Å; H220-T272 WeakPolarHBondContact O-CA 3.4Å; H220-L273 HydrophobicContact CB-CB 3.67Å; H220-L273 PolarHBondContact O-N 2.84Å; H220-E274 IonicContact CE1-OE1 2.65Å; H220-E274 PolarHBondContact CE1-OE1 3.14Å; H220-E274 IonicContact CG-OE1 3.03Å; H220-E274 IonicContact ND1-OE1 2.65Å; H220-E274 PolarHBondContact ND1-OE1 3.4Å; H220-E274 IonicContact ND1-OE2 2.71Å
221Y98.2Very high97.3Very high60 Ų6032.8 Ų32.824%0.23514%0.142CC..BIsolated β-bridgetrans-61.5146.6-179.2-65.5-68.8000111.9Y216 V219 H226 G227 L228 T272 H296Y216-Y221 HydrophobicContact CD1-CD2 4.42Å; Y216-Y221 HydrophobicContact CD1-CE2 4.02Å; V219-Y221 HydrophobicContact CB-CD2 4.05Å; V219-Y221 HydrophobicContact CB-CE1 4.25Å; V219-Y221 HydrophobicContact CB-CE2 3.56Å; V219-Y221 HydrophobicContact CG1-CD1 3.81Å; V219-Y221 HydrophobicContact CG1-CD2 4.02Å; V219-Y221 HydrophobicContact CG1-CE1 3.53Å; V219-Y221 HydrophobicContact CG1-CE2 3.75Å; V219-Y221 HydrophobicContact CG1-CG 4.06Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.5Å; V219-Y221 HydrophobicContact CG2-CE2 4.38Å; V219-Y221 PolarHBondContact O-N 3.2Å; Y221-H226 HydrophobicContact CD2-CB 3.5Å; Y221-H226 HydrophobicContact CE2-CB 4.13Å; Y221-H226 HydrophobicContact CG-CB 3.93Å; Y221-G227 CarbonylContact O-C 3.25Å; Y221-G227 WeakPolarHBondContact O-CA 3.45Å; Y221-L228 PolarHBondContact O-N 3.01Å; Y221-L228 VanDerWaalsContact O-N 3.1Å; Y221-T272 HydrophobicContact CD1-CG2 3.99Å; Y221-T272 HydrophobicContact CE1-CG2 4.27Å; Y221-H296 AromaticContact CD1-CE1 3.55Å; Y221-H296 AromaticContact CE1-CE1 3.79Å
222L98.5Very high97.3Very high1 Ų130.5 Ų30.51%0.00513%0.127CC..  trans-111.7-21.2178.6-62.3176.9000113.4L228 S229 W258 I262 P270 S271 T272 T276L222-L228 HydrophobicContact CD2-CB 4.27Å; L222-S229 WeakPolarHBondContact O-CB 3Å; L222-S229 PolarHBondContact O-N 2.87Å; L222-W258 HydrophobicContact CD1-CH2 4.47Å; L222-W258 HydrophobicContact CD2-CH2 4.07Å; L222-W258 HydrophobicContact CD2-CZ3 4Å; L222-I262 HydrophobicContact CD1-CD1 3.6Å; L222-P270 HydrophobicContact CD1-CB 4.21Å; L222-S271 PolarHBondContact N-O 3.46Å; L222-T272 VanDerWaalsContact CD1-C 3.46Å; L222-T272 WeakPolarHBondContact CD1-O 3.29Å; L222-T276 HydrophobicContact CD1-CG2 4.28Å
223G98.4Very high97.3Very high1 Ų130.5 Ų30.51%0.0113%0.127CC..SBendtrans-76.1-178.9-176.200000115.5A225 G227 C295G223-A225 PolarHBondContact O-N 3.49Å; G223-G227 CarbonylContact O-C 3.45Å; G223-G227 VanDerWaalsContact O-C 3.26Å; G223-G227 WeakPolarHBondContact O-CA 3.49Å; G223-G227 PolarHBondContact O-N 2.94Å; G223-G227 VanDerWaalsContact O-N 3.08Å; G223-C295 CarbonylContact C-O 3.47Å; G223-C295 WeakPolarHBondContact CA-O 3.37Å
224A98.5Very high97.3Very high0 Ų030.4 Ų30.40%013%0.127CC..THydrogen-bonded Turntrans-75.8-17.3-167.900000115.4G230 W294 C295 F418A224-G230 WeakPolarHBondContact O-CA 3.07Å; A224-W294 HydrophobicContact CB-CD2 4.26Å; A224-W294 HydrophobicContact CB-CG 4.47Å; A224-W294 HydrophobicContact CB-CZ2 4.16Å; A224-W294 VanDerWaalsContact CB-O 3.29Å; A224-W294 WeakPolarHBondContact CB-O 3.39Å; A224-W294 PolarHBondContact N-O 3.33Å; A224-C295 PolarHBondContact N-O 3.03Å; A224-F418 HydrophobicContact CB-CE1 4.43Å; A224-F418 HydrophobicContact CB-CZ 4.08Å
225A97.7Very high97.3Very high1 Ų129.5 Ų29.51%0.00812%0.123CC..THydrogen-bonded Turntrans-79.8-73.917900000111.3M154 F155 G223 W294 C295M154-A225 WeakPolarHBondContact CB-O 3.26Å; M154-A225 PolarHBondContact N-O 3.04Å; F155-A225 HydrophobicContact CD1-CB 4.29Å; F155-A225 HydrophobicContact CE1-CB 3.45Å; F155-A225 VanDerWaalsContact CE1-CB 3.45Å; F155-A225 HydrophobicContact CZ-CB 3.7Å; G223-A225 PolarHBondContact O-N 3.49Å; A225-W294 HydrophobicContact CB-CH2 4.48Å; A225-W294 HydrophobicContact CB-CZ3 4.07Å; A225-C295 HydrophobicContact CB-CB 3.7Å
226H97.2Very high97.5Very high35 Ų3526.7 Ų26.716%0.16211%0.11CC..THydrogen-bonded Turntrans-100.90.8-173.1-61.4-50.7000114E153 F155 Y216 Y221E153-H226 IonicContact OE2-CE1 3.01Å; E153-H226 IonicContact OE2-CG 3.14Å; E153-H226 IonicContact OE2-ND1 3.89Å; E153-H226 PolarHBondContact OE2-ND1 2.77Å; F155-H226 AromaticContact CD2-CE1 3.48Å; F155-H226 VanDerWaalsContact CD2-CE1 3.48Å; F155-H226 WeakPolarHBondContact CD2-CE1 3.38Å; F155-H226 AromaticContact CE2-CE1 3.85Å; F155-H226 AromaticContact CG-CE1 3.73Å; Y216-H226 HydrophobicContact CD1-CB 3.91Å; Y216-H226 AromaticContact CD1-CG 3.62Å; Y216-H226 AromaticContact CD1-ND1 3.75Å; Y216-H226 AromaticContact CE1-CE1 3.63Å; Y216-H226 AromaticContact CE1-CG 3.85Å; Y216-H226 AromaticContact CE1-ND1 3.62Å; Y216-H226 AromaticContact CE1-NE2 3.89Å; Y216-H226 HydrophobicContact CG-CB 4.24Å; Y221-H226 HydrophobicContact CD2-CB 3.5Å; Y221-H226 HydrophobicContact CE2-CB 4.13Å; Y221-H226 HydrophobicContact CG-CB 3.93Å
227G98Very high97.7Very high1 Ų125 Ų251%0.0110%0.104CC..SBendtrans-119.3179.6-162.300000116Y221 G223 S229 G230 I231Y221-G227 CarbonylContact O-C 3.25Å; Y221-G227 WeakPolarHBondContact O-CA 3.45Å; G223-G227 CarbonylContact O-C 3.45Å; G223-G227 VanDerWaalsContact O-C 3.26Å; G223-G227 WeakPolarHBondContact O-CA 3.49Å; G223-G227 PolarHBondContact O-N 2.94Å; G223-G227 VanDerWaalsContact O-N 3.08Å; G227-S229 VanDerWaalsContact C-N 3.27Å; G227-S229 PolarHBondContact O-N 3.09Å; G227-G230 PolarHBondContact O-N 2.65Å; G227-I231 PolarHBondContact O-N 2.83Å
228L98.8Very high97.9Very high3 Ų318.2 Ų18.22%0.0168%0.078CC..Hα-helixtrans-53.5-40.1-174.9-177.159.7000113P210 L212 Y214 Y221 L222 G230 I231 L232 W258 M259P210-L228 HydrophobicContact CB-CD2 3.99Å; P210-L228 HydrophobicContact CG-CD2 3.88Å; L212-L228 HydrophobicContact CB-CD1 4.4Å; Y214-L228 HydrophobicContact CD2-CD1 4.09Å; Y214-L228 HydrophobicContact CE2-CD1 3.95Å; Y221-L228 PolarHBondContact O-N 3.01Å; Y221-L228 VanDerWaalsContact O-N 3.1Å; L222-L228 HydrophobicContact CD2-CB 4.27Å; L228-G230 PolarHBondContact O-N 3.43Å; L228-I231 PolarHBondContact O-N 2.72Å; L228-L232 HydrophobicContact CD1-CD1 4.11Å; L228-L232 HydrophobicContact CD1-CD2 4.21Å; L228-L232 HydrophobicContact CD1-CG 3.87Å; L228-L232 HydrophobicContact CD2-CD1 4.36Å; L228-L232 HydrophobicContact CG-CD1 3.79Å; L228-L232 HydrophobicContact CG-CG 4.04Å; L228-L232 WeakPolarHBondContact O-CB 3.26Å; L228-L232 VanDerWaalsContact O-CG 3.3Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 2.67Å; L228-W258 HydrophobicContact CD2-CE3 4.13Å; L228-W258 HydrophobicContact CD2-CZ3 4.04Å; L228-M259 HydrophobicContact CD2-CG 4.48Å; L228-M259 HydrophobicContact CD2-SD 3.91Å; L228-M259 HydrophobicContact CG-SD 4.32Å
229S98.9Very high98.2Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-56.8-47.5179174.40000112.9L222 G227 I231 L232 Q233 T301 M304L222-S229 WeakPolarHBondContact O-CB 3Å; L222-S229 PolarHBondContact O-N 2.87Å; G227-S229 VanDerWaalsContact C-N 3.27Å; G227-S229 PolarHBondContact O-N 3.09Å; S229-I231 VanDerWaalsContact C-N 3.32Å; S229-I231 PolarHBondContact O-N 3.06Å; S229-L232 PolarHBondContact O-N 3.14Å; S229-Q233 WeakPolarHBondContact O-CB 3.37Å; S229-Q233 PolarHBondContact O-N 2.95Å; S229-T301 WeakPolarHBondContact OG-CA 2.95Å; S229-M304 WeakPolarHBondContact O-CG 3.45Å; S229-M304 WeakPolarHBondContact OG-CB 3.34Å
230G98.7Very high98.3Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-66.7-37.2179.300000112.2M154 A224 G227 L228 S234M154-G230 WeakPolarHBondContact CE-O 3.32Å; A224-G230 WeakPolarHBondContact O-CA 3.07Å; G227-G230 PolarHBondContact O-N 2.65Å; L228-G230 PolarHBondContact O-N 3.43Å; G230-S234 PolarHBondContact O-N 3.36Å
231I98.8Very high98.4Very high1 Ų113.3 Ų13.31%0.0057%0.068CC..Hα-helixtrans-65.4-50.2176.7-63.1173.2000110.3D152 A159 M189 Y214 G227 L228 S229 Q233 S234 L235D152-I231 HydrophobicContact CB-CD1 4.15Å; D152-I231 WeakPolarHBondContact O-CG1 3.49Å; A159-I231 HydrophobicContact CB-CG1 4.19Å; M189-I231 HydrophobicContact CE-CG2 3.77Å; Y214-I231 HydrophobicContact CD1-CD1 4.03Å; Y214-I231 HydrophobicContact CD2-CD1 3.39Å; Y214-I231 HydrophobicContact CD2-CG2 4.38Å; Y214-I231 HydrophobicContact CE1-CD1 4.43Å; Y214-I231 HydrophobicContact CE2-CB 4.41Å; Y214-I231 HydrophobicContact CE2-CD1 3.87Å; Y214-I231 HydrophobicContact CE2-CG2 3.73Å; Y214-I231 HydrophobicContact CG-CD1 3.48Å; Y214-I231 VanDerWaalsContact CG-CD1 3.48Å; G227-I231 PolarHBondContact O-N 2.83Å; L228-I231 PolarHBondContact O-N 2.72Å; S229-I231 VanDerWaalsContact C-N 3.32Å; S229-I231 PolarHBondContact O-N 3.06Å; I231-Q233 VanDerWaalsContact C-N 3.33Å; I231-Q233 PolarHBondContact O-N 3.5Å; I231-S234 WeakPolarHBondContact O-CB 3.47Å; I231-S234 PolarHBondContact O-N 3.35Å; I231-S234 VanDerWaalsContact O-N 3.09Å; I231-S234 PolarHBondContact O-OG 2.88Å; I231-L235 HydrophobicContact CG2-CD1 4.22Å; I231-L235 WeakPolarHBondContact O-CG 3.38Å; I231-L235 PolarHBondContact O-N 3.46Å; I231-L235 VanDerWaalsContact O-N 3.07Å
232L98.9Very high98.4Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-59.6-43.1177-68.9175.1000111.6L228 S229 S234 L235 L236 V252 C255 V256 M259 M304L228-L232 HydrophobicContact CD1-CD1 4.11Å; L228-L232 HydrophobicContact CD1-CD2 4.21Å; L228-L232 HydrophobicContact CD1-CG 3.87Å; L228-L232 HydrophobicContact CD2-CD1 4.36Å; L228-L232 HydrophobicContact CG-CD1 3.79Å; L228-L232 HydrophobicContact CG-CG 4.04Å; L228-L232 WeakPolarHBondContact O-CB 3.26Å; L228-L232 VanDerWaalsContact O-CG 3.3Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 2.67Å; S229-L232 PolarHBondContact O-N 3.14Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 3.02Å; L232-L236 WeakPolarHBondContact O-CB 3.2Å; L232-L236 WeakPolarHBondContact O-CG 3.42Å; L232-L236 PolarHBondContact O-N 3.2Å; L232-V252 HydrophobicContact CD2-CG1 4.09Å; L232-C255 HydrophobicContact CD1-CB 3.93Å; L232-C255 HydrophobicContact CD2-CB 3.54Å; L232-C255 HydrophobicContact CG-CB 4.35Å; L232-V256 HydrophobicContact CD1-CG2 4.18Å; L232-M259 HydrophobicContact CD1-CG 4Å; L232-M304 HydrophobicContact CB-CG 3.95Å; L232-M304 HydrophobicContact CB-SD 4.29Å; L232-M304 HydrophobicContact CD1-CE 4.45Å; L232-M304 HydrophobicContact CD1-SD 4.47Å
233Q98.8Very high98.3Very high0 Ų014.9 Ų14.90%08%0.076CC..Hα-helixtrans-58.6-42175.4176.1156.9-26.800111.8S229 I231 L235 L236 S237 L303 M304 F418S229-Q233 WeakPolarHBondContact O-CB 3.37Å; S229-Q233 PolarHBondContact O-N 2.95Å; I231-Q233 VanDerWaalsContact C-N 3.33Å; I231-Q233 PolarHBondContact O-N 3.5Å; Q233-L235 VanDerWaalsContact C-N 3.34Å; Q233-L235 PolarHBondContact O-N 3.18Å; Q233-L236 PolarHBondContact O-N 3.25Å; Q233-S237 PolarHBondContact O-N 2.95Å; Q233-S237 VanDerWaalsContact O-N 3.14Å; Q233-S237 PolarHBondContact O-OG 3.02Å; Q233-L303 PolarHBondContact OE1-O 3.49Å; Q233-M304 HydrophobicContact CB-CB 4.13Å; Q233-M304 HydrophobicContact CB-CG 4.13Å; Q233-M304 VanDerWaalsContact OE1-N 3.09Å; Q233-F418 HydrophobicContact CB-CZ 4.12Å; Q233-F418 HydrophobicContact CG-CE1 4.2Å; Q233-F418 HydrophobicContact CG-CE2 4.47Å; Q233-F418 HydrophobicContact CG-CZ 3.95Å; Q233-F418 VanDerWaalsContact OE1-CZ 3.31Å
234S98.6Very high98.3Very high0 Ų020.6 Ų20.60%010%0.102CC..Hα-helixtrans-63.2-40178.477.50000112.4A159 G230 I231 L232 S237 F238A159-S234 WeakPolarHBondContact CA-OG 3.37Å; A159-S234 WeakPolarHBondContact CB-OG 3.48Å; G230-S234 PolarHBondContact O-N 3.36Å; I231-S234 WeakPolarHBondContact O-CB 3.47Å; I231-S234 PolarHBondContact O-N 3.35Å; I231-S234 VanDerWaalsContact O-N 3.09Å; I231-S234 PolarHBondContact O-OG 2.88Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 2.92Å; S234-S237 WeakPolarHBondContact O-CB 3.21Å; S234-S237 PolarHBondContact O-N 3.08Å; S234-F238 WeakPolarHBondContact O-CD2 3.27Å
235L98.9Very high98.2Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-68.6-45.5177.6-64.7171.9000111.6L162 I186 M189 I190 L212 I231 L232 Q233 S237 F238 V252L162-L235 HydrophobicContact CD1-CD2 4.37Å; I186-L235 HydrophobicContact CB-CD2 4.34Å; I186-L235 HydrophobicContact CG1-CD2 4.05Å; I186-L235 HydrophobicContact CG2-CD2 4.09Å; M189-L235 HydrophobicContact CB-CD2 4.36Å; M189-L235 HydrophobicContact CE-CD2 3.96Å; M189-L235 HydrophobicContact CE-CG 4.2Å; M189-L235 HydrophobicContact SD-CD2 4.16Å; I190-L235 HydrophobicContact CG1-CD1 4.49Å; L212-L235 HydrophobicContact CD1-CD1 4.35Å; I231-L235 HydrophobicContact CG2-CD1 4.22Å; I231-L235 WeakPolarHBondContact O-CG 3.38Å; I231-L235 PolarHBondContact O-N 3.46Å; I231-L235 VanDerWaalsContact O-N 3.07Å; L232-L235 PolarHBondContact O-N 3.02Å; Q233-L235 VanDerWaalsContact C-N 3.34Å; Q233-L235 PolarHBondContact O-N 3.18Å; L235-S237 PolarHBondContact O-N 3.25Å; L235-S237 VanDerWaalsContact O-N 3.13Å; L235-F238 PolarHBondContact O-N 3.16Å; L235-F238 VanDerWaalsContact O-N 3.15Å; L235-V252 HydrophobicContact CB-CG1 4.44Å; L235-V252 HydrophobicContact CB-CG2 4.27Å; L235-V252 HydrophobicContact CD1-CG2 3.79Å
236L98.8Very high98.2Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-65.8-12.7177.9-69167.3000113.7L232 Q233 F238 V252 V256 M304 R307 A308 V311 Y312L232-L236 WeakPolarHBondContact O-CB 3.2Å; L232-L236 WeakPolarHBondContact O-CG 3.42Å; L232-L236 PolarHBondContact O-N 3.2Å; Q233-L236 PolarHBondContact O-N 3.25Å; L236-F238 VanDerWaalsContact C-N 3.25Å; L236-V252 HydrophobicContact CD2-CG1 3.84Å; L236-V252 HydrophobicContact CG-CG1 4.04Å; L236-V256 HydrophobicContact CD1-CG2 3.9Å; L236-M304 HydrophobicContact CD1-CG 4.44Å; L236-M304 HydrophobicContact CD1-SD 4.19Å; L236-R307 HydrophobicContact CB-CG 3.74Å; L236-R307 PolarHBondContact O-NE 3.2Å; L236-R307 PolarHBondContact O-NH2 3.26Å; L236-A308 HydrophobicContact CD1-CB 3.95Å; L236-V311 HydrophobicContact CB-CG2 4.46Å; L236-V311 HydrophobicContact CD2-CG2 4.5Å; L236-V311 WeakPolarHBondContact O-CG2 3.4Å; L236-Y312 HydrophobicContact CD2-CE2 3.56Å; L236-Y312 WeakPolarHBondContact CD2-OH 3.16Å
237S98.5Very high98.2Very high4 Ų431.5 Ų31.53%0.02816%0.164CC..THydrogen-bonded Turntrans-79.7-7.8176.4-610000113.6L166 Q233 S234 L235 P239 I422L166-S237 VanDerWaalsContact CD2-CB 3.46Å; Q233-S237 PolarHBondContact O-N 2.95Å; Q233-S237 VanDerWaalsContact O-N 3.14Å; Q233-S237 PolarHBondContact O-OG 3.02Å; S234-S237 WeakPolarHBondContact O-CB 3.21Å; S234-S237 PolarHBondContact O-N 3.08Å; L235-S237 PolarHBondContact O-N 3.25Å; L235-S237 VanDerWaalsContact O-N 3.13Å; S237-P239 VanDerWaalsContact C-CD 3.41Å; S237-P239 WeakPolarHBondContact O-CD 3.39Å; S237-I422 WeakPolarHBondContact O-CD1 3.11Å
238F98.6Very high98.2Very high11 Ų1132.1 Ų32.15%0.04817%0.167CC..  trans-124.658.9176.3-62-91.2000111L162 M163 V165 L166 V182 I186 S234 L235 L236 D240 I241 L242L162-F238 HydrophobicContact CB-CE2 3.87Å; L162-F238 HydrophobicContact CD1-CE2 4.49Å; L162-F238 HydrophobicContact CD2-CE2 4.19Å; L162-F238 HydrophobicContact CD2-CZ 4.5Å; L162-F238 HydrophobicContact CG-CE2 4.41Å; L162-F238 WeakPolarHBondContact O-CZ 3.4Å; M163-F238 HydrophobicContact CE-CE2 4.11Å; V165-F238 HydrophobicContact CB-CZ 4.17Å; V165-F238 HydrophobicContact CG1-CE1 4Å; V165-F238 HydrophobicContact CG1-CZ 3.98Å; L166-F238 HydrophobicContact CB-CE2 4.35Å; L166-F238 HydrophobicContact CB-CZ 3.97Å; V182-F238 HydrophobicContact CG1-CD1 3.73Å; V182-F238 HydrophobicContact CG1-CE1 3.95Å; V182-F238 HydrophobicContact CG1-CG 4.02Å; V182-F238 HydrophobicContact CG1-CZ 4.46Å; I186-F238 HydrophobicContact CD1-CB 3.89Å; I186-F238 HydrophobicContact CD1-CG 4.43Å; S234-F238 WeakPolarHBondContact O-CD2 3.27Å; L235-F238 PolarHBondContact O-N 3.16Å; L235-F238 VanDerWaalsContact O-N 3.15Å; L236-F238 VanDerWaalsContact C-N 3.25Å; F238-D240 VanDerWaalsContact C-N 3.32Å; F238-D240 PolarHBondContact O-N 3.43Å; F238-I241 HydrophobicContact CB-CB 4.27Å; F238-I241 HydrophobicContact CB-CD1 4.32Å; F238-I241 HydrophobicContact CD1-CD1 3.95Å; F238-I241 PolarHBondContact O-N 3.19Å; F238-L242 WeakPolarHBondContact O-CB 3.29Å; F238-L242 PolarHBondContact O-N 3.13Å
239P97.5Very high98.2Very high25 Ų2534.6 Ų34.616%0.16218%0.179CC..Hα-helixtrans-60.5-39.8-169.826.1-35.3000112.7S237 I241 L242 K243 V311S237-P239 VanDerWaalsContact C-CD 3.41Å; S237-P239 WeakPolarHBondContact O-CD 3.39Å; P239-I241 PolarHBondContact O-N 3.28Å; P239-L242 PolarHBondContact O-N 3.4Å; P239-K243 VanDerWaalsContact O-CB 3.29Å; P239-K243 WeakPolarHBondContact O-CB 3.13Å; P239-K243 WeakPolarHBondContact O-CD 3.42Å; P239-K243 WeakPolarHBondContact O-CG 3.33Å; P239-K243 PolarHBondContact O-N 3.06Å; P239-V311 HydrophobicContact CB-CG1 4.07Å; P239-V311 HydrophobicContact CB-CG2 4.23Å
240D97.8Very high98.2Very high126 Ų12641.5 Ų41.567%0.67421%0.205SC*.Hα-helixtrans-68.5-36.5-177.9-59-36000112.1F238 Q244F238-D240 VanDerWaalsContact C-N 3.32Å; F238-D240 PolarHBondContact O-N 3.43Å; D240-Q244 WeakPolarHBondContact O-CG 3.32Å
241I98.6Very high98.2Very high11 Ų1142.1 Ų42.16%0.05621%0.208CC..Hα-helixtrans-73.1-42.6176-54.8177.9000110D179 V182 A183 I186 F238 P239 K243 Q244D179-I241 HydrophobicContact CB-CD1 3.97Å; D179-I241 HydrophobicContact CB-CG1 4.42Å; D179-I241 WeakPolarHBondContact OD1-CD1 3.32Å; V182-I241 HydrophobicContact CB-CD1 3.84Å; V182-I241 HydrophobicContact CG1-CD1 3.56Å; A183-I241 HydrophobicContact CB-CG2 3.67Å; I186-I241 HydrophobicContact CD1-CB 4.23Å; I186-I241 HydrophobicContact CD1-CG2 3.93Å; F238-I241 HydrophobicContact CB-CB 4.27Å; F238-I241 HydrophobicContact CB-CD1 4.32Å; F238-I241 HydrophobicContact CD1-CD1 3.95Å; F238-I241 PolarHBondContact O-N 3.19Å; P239-I241 PolarHBondContact O-N 3.28Å; I241-K243 VanDerWaalsContact C-N 3.27Å; I241-K243 PolarHBondContact O-N 3.03Å; I241-Q244 WeakPolarHBondContact O-CB 3.28Å; I241-Q244 WeakPolarHBondContact O-CG 3.3Å; I241-Q244 PolarHBondContact O-N 3.1Å; I241-Q244 VanDerWaalsContact O-N 3.17Å
242L97.9Very high98.2Very high2 Ų242 Ų421%0.0121%0.208CC..Hα-helixtrans-59-40.5177.2-174.768.1000111.6I186 I190 F238 P239 Q244 K245 N248 E249 V252I186-L242 HydrophobicContact CG2-CD1 3.97Å; I190-L242 HydrophobicContact CD1-CD1 4.04Å; F238-L242 WeakPolarHBondContact O-CB 3.29Å; F238-L242 PolarHBondContact O-N 3.13Å; P239-L242 PolarHBondContact O-N 3.4Å; L242-Q244 VanDerWaalsContact C-N 3.27Å; L242-Q244 PolarHBondContact O-N 2.84Å; L242-K245 PolarHBondContact O-N 3.05Å; L242-N248 HydrophobicContact CD1-CB 3.84Å; L242-E249 HydrophobicContact CG-CB 4.45Å; L242-V252 HydrophobicContact CD1-CG2 3.9Å; L242-V252 HydrophobicContact CD2-CB 4.07Å; L242-V252 HydrophobicContact CD2-CG1 4.06Å; L242-V252 HydrophobicContact CD2-CG2 4.17Å
243K96.5Very high98.2Very high92 Ų9243 Ų4340%0.422%0.215SC..THydrogen-bonded Turntrans-70.4-14.1179.2-76.4171.8179.2-177.20114.8P239 I241 K245 E249P239-K243 VanDerWaalsContact O-CB 3.29Å; P239-K243 WeakPolarHBondContact O-CB 3.13Å; P239-K243 WeakPolarHBondContact O-CD 3.42Å; P239-K243 WeakPolarHBondContact O-CG 3.33Å; P239-K243 PolarHBondContact O-N 3.06Å; I241-K243 VanDerWaalsContact C-N 3.27Å; I241-K243 PolarHBondContact O-N 3.03Å; K243-K245 PolarHBondContact O-N 3.31Å; K243-K245 VanDerWaalsContact O-N 3.15Å; K243-E249 WeakPolarHBondContact CE-OE1 3.21Å; K243-E249 HydrophobicContact CG-CG 4.38Å
244Q97.9Very high98.2Very high120 Ų12046.5 Ų46.556%0.56123%0.234SC*.THydrogen-bonded Turntrans-60.7-24.5174.7-64.7177.55.400111.9D240 I241 L242D240-Q244 WeakPolarHBondContact O-CG 3.32Å; I241-Q244 WeakPolarHBondContact O-CB 3.28Å; I241-Q244 WeakPolarHBondContact O-CG 3.3Å; I241-Q244 PolarHBondContact O-N 3.1Å; I241-Q244 VanDerWaalsContact O-N 3.17Å; L242-Q244 VanDerWaalsContact C-N 3.27Å; L242-Q244 PolarHBondContact O-N 2.84Å
245K98Very high98.2Very high101 Ų10146.5 Ų46.544%0.43923%0.234SC..SBendtrans-123.5107.9171.1-61.3-173.9-170.2171.30109.7D187 L242 K243 E247 N248 E249D187-K245 IonicContact OD1-NZ 3.82Å; D187-K245 PolarHBondContact OD1-NZ 3.32Å; D187-K245 IonicContact OD2-NZ 3.85Å; D187-K245 PolarHBondContact OD2-NZ 3.26Å; L242-K245 PolarHBondContact O-N 3.05Å; K243-K245 PolarHBondContact O-N 3.31Å; K243-K245 VanDerWaalsContact O-N 3.15Å; K245-E247 PolarHBondContact O-N 2.86Å; K245-E247 VanDerWaalsContact O-N 3.08Å; K245-N248 HydrophobicContact CB-CB 4.06Å; K245-N248 WeakPolarHBondContact O-CA 3.39Å; K245-N248 WeakPolarHBondContact O-CB 3.12Å; K245-N248 PolarHBondContact O-N 3.25Å; K245-E249 PolarHBondContact O-N 3.01Å
246A96.9Very high98.2Very high76 Ų7646.5 Ų46.563%0.62823%0.234SC*.Hα-helixtrans-54.8-31.2179.400000113.4R250A246-R250 WeakPolarHBondContact O-CB 3.11Å; A246-R250 PolarHBondContact O-N 2.91Å
247E97.5Very high98.2Very high89 Ų8948.9 Ų48.942%0.41625%0.247SC..Hα-helixtrans-64-42.2173.6-174.8-178.4-178.800112.2R194 K245 R250 I251R194-E247 IonicContact NH1-OE1 3.54Å; R194-E247 PolarHBondContact NH1-OE1 3.48Å; K245-E247 PolarHBondContact O-N 2.86Å; K245-E247 VanDerWaalsContact O-N 3.08Å; E247-R250 PolarHBondContact O-N 3.38Å; E247-I251 HydrophobicContact CG-CD1 3.78Å; E247-I251 HydrophobicContact CG-CG1 4.36Å; E247-I251 WeakPolarHBondContact O-CB 3.25Å; E247-I251 VanDerWaalsContact O-CG1 3.29Å; E247-I251 WeakPolarHBondContact O-CG1 3.49Å; E247-I251 PolarHBondContact O-N 2.85Å
248N98.2Very high98.2Very high13 Ų1349.5 Ų49.57%0.0725%0.249CC..Hα-helixtrans-64.4-47.9179.5-73.50.7000110.7D187 I190 L242 K245 R250 I251 V252D187-N248 PolarHBondContact OD1-ND2 3.28Å; I190-N248 HydrophobicContact CD1-CB 3.45Å; I190-N248 VanDerWaalsContact CD1-CB 3.45Å; L242-N248 HydrophobicContact CD1-CB 3.84Å; K245-N248 HydrophobicContact CB-CB 4.06Å; K245-N248 WeakPolarHBondContact O-CA 3.39Å; K245-N248 WeakPolarHBondContact O-CB 3.12Å; K245-N248 PolarHBondContact O-N 3.25Å; N248-R250 PolarHBondContact O-N 3.2Å; N248-I251 PolarHBondContact O-N 3.41Å; N248-V252 WeakPolarHBondContact O-CG2 3.38Å; N248-V252 PolarHBondContact O-N 2.68Å; N248-V252 VanDerWaalsContact O-N 3.08Å
249E98.2Very high98.2Very high55 Ų5549 Ų4926%0.25725%0.247SC..Hα-helixtrans-56.9-49.9175.3179.5179-154.100111.3L242 K243 K245 I251 V252 A253 Y312L242-E249 HydrophobicContact CG-CB 4.45Å; K243-E249 WeakPolarHBondContact CE-OE1 3.21Å; K243-E249 HydrophobicContact CG-CG 4.38Å; K245-E249 PolarHBondContact O-N 3.01Å; E249-I251 PolarHBondContact O-N 3.16Å; E249-V252 PolarHBondContact O-N 3.36Å; E249-A253 WeakPolarHBondContact O-CB 3.01Å; E249-A253 PolarHBondContact O-N 2.9Å; E249-Y312 HydrophobicContact CG-CE1 4.45Å
250R98.5Very high98.3Very high145 Ų14549.6 Ų49.655%0.54725%0.248SC..Hα-helixtrans-58.6-49.3179.8-177.3-175.564-178.2-2.3112A246 E247 N248 V252 A253 D254A246-R250 WeakPolarHBondContact O-CB 3.11Å; A246-R250 PolarHBondContact O-N 2.91Å; E247-R250 PolarHBondContact O-N 3.38Å; N248-R250 PolarHBondContact O-N 3.2Å; R250-V252 VanDerWaalsContact C-N 3.29Å; R250-V252 PolarHBondContact O-N 3.22Å; R250-A253 PolarHBondContact O-N 3.47Å; R250-D254 WeakPolarHBondContact O-CB 2.99Å; R250-D254 PolarHBondContact O-N 3.44Å
251I98.7Very high98.3Very high13 Ų1348 Ų487%0.06724%0.243CC..Hα-helixtrans-60.4-41-179.1-73.4173.4000111.1I190 P211 L212 E247 N248 E249 C255I190-I251 HydrophobicContact CG2-CD1 4.35Å; P211-I251 HydrophobicContact CB-CG2 4.07Å; L212-I251 HydrophobicContact CD1-CG2 3.82Å; L212-I251 HydrophobicContact CD2-CG2 3.63Å; L212-I251 HydrophobicContact CG-CG2 3.5Å; E247-I251 HydrophobicContact CG-CD1 3.78Å; E247-I251 HydrophobicContact CG-CG1 4.36Å; E247-I251 WeakPolarHBondContact O-CB 3.25Å; E247-I251 VanDerWaalsContact O-CG1 3.29Å; E247-I251 WeakPolarHBondContact O-CG1 3.49Å; E247-I251 PolarHBondContact O-N 2.85Å; N248-I251 PolarHBondContact O-N 3.41Å; E249-I251 PolarHBondContact O-N 3.16Å; I251-C255 PolarHBondContact O-N 2.81Å; I251-C255 VanDerWaalsContact O-N 3.07Å; I251-C255 PolarHBondContact O-SG 3.24Å
252V98.9Very high98.2Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-67.2-45.9177.2172.40000110.8I190 L212 L232 L235 L236 L242 N248 E249 R250 D254 C255 V256I190-V252 HydrophobicContact CD1-CG2 4.29Å; L212-V252 HydrophobicContact CD1-CG2 4.46Å; L232-V252 HydrophobicContact CD2-CG1 4.09Å; L235-V252 HydrophobicContact CB-CG1 4.44Å; L235-V252 HydrophobicContact CB-CG2 4.27Å; L235-V252 HydrophobicContact CD1-CG2 3.79Å; L236-V252 HydrophobicContact CD2-CG1 3.84Å; L236-V252 HydrophobicContact CG-CG1 4.04Å; L242-V252 HydrophobicContact CD1-CG2 3.9Å; L242-V252 HydrophobicContact CD2-CB 4.07Å; L242-V252 HydrophobicContact CD2-CG1 4.06Å; L242-V252 HydrophobicContact CD2-CG2 4.17Å; N248-V252 WeakPolarHBondContact O-CG2 3.38Å; N248-V252 PolarHBondContact O-N 2.68Å; N248-V252 VanDerWaalsContact O-N 3.08Å; E249-V252 PolarHBondContact O-N 3.36Å; R250-V252 VanDerWaalsContact C-N 3.29Å; R250-V252 PolarHBondContact O-N 3.22Å; V252-D254 PolarHBondContact O-N 3.28Å; V252-C255 WeakPolarHBondContact O-CB 3.45Å; V252-C255 PolarHBondContact O-N 3.06Å; V252-C255 VanDerWaalsContact O-N 3.16Å; V252-V256 WeakPolarHBondContact O-CG2 3.45Å; V252-V256 PolarHBondContact O-N 3.16Å
253A98.8Very high98.2Very high19 Ų1949.3 Ų49.316%0.15725%0.249CC..Hα-helixtrans-58.4-46175.900000111.9E249 R250 C255 V256 D257 Y312E249-A253 WeakPolarHBondContact O-CB 3.01Å; E249-A253 PolarHBondContact O-N 2.9Å; R250-A253 PolarHBondContact O-N 3.47Å; A253-C255 VanDerWaalsContact C-N 3.25Å; A253-C255 PolarHBondContact O-N 3Å; A253-V256 PolarHBondContact O-N 3.22Å; A253-V256 VanDerWaalsContact O-N 3.1Å; A253-D257 PolarHBondContact O-N 3.02Å; A253-Y312 HydrophobicContact CB-CE1 4.41Å; A253-Y312 HydrophobicContact CB-CE2 4.37Å
254D98.8Very high98.2Very high74 Ų7448 Ų4840%0.39625%0.245SC..Hα-helixtrans-61-33.7176.8-69-16.5000111.8P211 R250 V252 W258P211-D254 HydrophobicContact CG-CB 3.75Å; R250-D254 WeakPolarHBondContact O-CB 2.99Å; R250-D254 PolarHBondContact O-N 3.44Å; V252-D254 PolarHBondContact O-N 3.28Å; D254-W258 VanDerWaalsContact O-CB 3.31Å; D254-W258 WeakPolarHBondContact O-CB 3.41Å; D254-W258 PolarHBondContact O-N 3.5Å
255C98.9Very high98Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-70.7-39.7173.6-68.60000112.8P211 L212 L232 I251 V252 A253 D257 W258 M259P211-C255 VanDerWaalsContact CD-SG 3.6Å; L212-C255 PolarHBondContact N-SG 3.19Å; L232-C255 HydrophobicContact CD1-CB 3.93Å; L232-C255 HydrophobicContact CD2-CB 3.54Å; L232-C255 HydrophobicContact CG-CB 4.35Å; I251-C255 PolarHBondContact O-N 2.81Å; I251-C255 VanDerWaalsContact O-N 3.07Å; I251-C255 PolarHBondContact O-SG 3.24Å; V252-C255 WeakPolarHBondContact O-CB 3.45Å; V252-C255 PolarHBondContact O-N 3.06Å; V252-C255 VanDerWaalsContact O-N 3.16Å; A253-C255 VanDerWaalsContact C-N 3.25Å; A253-C255 PolarHBondContact O-N 3Å; C255-D257 VanDerWaalsContact C-N 3.32Å; C255-W258 PolarHBondContact O-N 3.02Å; C255-M259 WeakPolarHBondContact O-CG 3.17Å; C255-M259 PolarHBondContact O-N 2.99Å
256V98.9Very high97.8Very high0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-64.2-42.4175.2-176.90000109.8L232 L236 V252 A253 W258 M259 L260 M304 L305 A308 Y317L232-V256 HydrophobicContact CD1-CG2 4.18Å; L236-V256 HydrophobicContact CD1-CG2 3.9Å; V252-V256 WeakPolarHBondContact O-CG2 3.45Å; V252-V256 PolarHBondContact O-N 3.16Å; A253-V256 PolarHBondContact O-N 3.22Å; A253-V256 VanDerWaalsContact O-N 3.1Å; V256-W258 VanDerWaalsContact C-N 3.34Å; V256-M259 WeakPolarHBondContact O-CB 3.04Å; V256-M259 PolarHBondContact O-N 3.27Å; V256-M259 VanDerWaalsContact O-N 3.15Å; V256-L260 PolarHBondContact O-N 3.1Å; V256-M304 HydrophobicContact CG1-CE 4.35Å; V256-M304 HydrophobicContact CG1-SD 3.9Å; V256-M304 HydrophobicContact CG2-SD 4.01Å; V256-L305 HydrophobicContact CG1-CD2 4.48Å; V256-A308 HydrophobicContact CG1-CB 3.75Å; V256-A308 HydrophobicContact CG2-CB 4.49Å; V256-Y317 HydrophobicContact CB-CE1 4.21Å; V256-Y317 HydrophobicContact CG1-CD1 3.79Å; V256-Y317 HydrophobicContact CG1-CE1 3.31Å
257D98.9Very high97.9Very high51 Ų5142.2 Ų42.227%0.27322%0.221SC..Hα-helixtrans-64.8-39.6176-77.211.1000111.6A253 C255 M259 L260 T261 K316 Y317A253-D257 PolarHBondContact O-N 3.02Å; C255-D257 VanDerWaalsContact C-N 3.32Å; D257-M259 VanDerWaalsContact C-N 3.3Å; D257-M259 PolarHBondContact O-N 3.48Å; D257-L260 VanDerWaalsContact O-CB 3.31Å; D257-L260 WeakPolarHBondContact O-CB 3.33Å; D257-L260 PolarHBondContact O-N 2.89Å; D257-L260 VanDerWaalsContact O-N 3.09Å; D257-T261 PolarHBondContact O-N 2.95Å; D257-K316 WeakPolarHBondContact OD1-CE 3.4Å; D257-K316 IonicContact OD1-NZ 3.01Å; D257-K316 PolarHBondContact OD1-NZ 2.97Å; D257-K316 IonicContact OD2-NZ 3.67Å; D257-K316 PolarHBondContact OD2-NZ 3.35Å; D257-Y317 WeakPolarHBondContact OD1-CE1 3.39Å; D257-Y317 PolarHBondContact OD1-OH 3.21Å
258W98.8Very high97.9Very high17 Ų1738.1 Ų38.16%0.06420%0.202CC..Hα-helixtrans-59-41.1171.6179.991.7000111.8N208 P210 L222 L228 D254 C255 V256 L260 T261 I262 L273N208-W258 VanDerWaalsContact CG-NE1 3.34Å; N208-W258 PolarHBondContact ND2-NE1 3.23Å; N208-W258 VanDerWaalsContact O-CZ2 3.26Å; N208-W258 WeakPolarHBondContact O-CZ2 3.46Å; N208-W258 PolarHBondContact O-NE1 2.86Å; N208-W258 PolarHBondContact OD1-NE1 3.38Å; N208-W258 VanDerWaalsContact OD1-NE1 3.11Å; P210-W258 HydrophobicContact CB-CB 4.38Å; P210-W258 HydrophobicContact CB-CD2 3.55Å; P210-W258 HydrophobicContact CB-CE3 3.7Å; P210-W258 HydrophobicContact CB-CG 3.84Å; P210-W258 HydrophobicContact CB-CZ3 4.24Å; P210-W258 HydrophobicContact CG-CD2 4.09Å; P210-W258 HydrophobicContact CG-CE3 4.02Å; P210-W258 HydrophobicContact CG-CH2 4.13Å; P210-W258 HydrophobicContact CG-CZ2 4.19Å; P210-W258 HydrophobicContact CG-CZ3 4.04Å; L222-W258 HydrophobicContact CD1-CH2 4.47Å; L222-W258 HydrophobicContact CD2-CH2 4.07Å; L222-W258 HydrophobicContact CD2-CZ3 4Å; L228-W258 HydrophobicContact CD2-CE3 4.13Å; L228-W258 HydrophobicContact CD2-CZ3 4.04Å; D254-W258 VanDerWaalsContact O-CB 3.31Å; D254-W258 WeakPolarHBondContact O-CB 3.41Å; D254-W258 PolarHBondContact O-N 3.5Å; C255-W258 PolarHBondContact O-N 3.02Å; V256-W258 VanDerWaalsContact C-N 3.34Å; W258-L260 PolarHBondContact O-N 3.18Å; W258-T261 WeakPolarHBondContact O-CB 3.31Å; W258-T261 PolarHBondContact O-N 2.69Å; W258-T261 PolarHBondContact O-OG1 3.29Å; W258-I262 HydrophobicContact CE3-CD1 4.38Å; W258-I262 HydrophobicContact CH2-CD1 3.73Å; W258-I262 HydrophobicContact CH2-CG1 4.4Å; W258-I262 HydrophobicContact CH2-CG2 3.97Å; W258-I262 HydrophobicContact CZ2-CG2 3.8Å; W258-I262 HydrophobicContact CZ3-CD1 3.57Å; W258-I262 HydrophobicContact CZ3-CG1 4.21Å; W258-I262 HydrophobicContact CZ3-CG2 4.45Å; W258-L273 HydrophobicContact CH2-CD1 3.66Å; W258-L273 HydrophobicContact CZ2-CD1 3.64Å
259M98.8Very high97.8Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-56.9-39.4175-69.2-69.9-65.200111.2L228 L232 C255 V256 D257 T261 I262 F269 T301 M304L228-M259 HydrophobicContact CD2-CG 4.48Å; L228-M259 HydrophobicContact CD2-SD 3.91Å; L228-M259 HydrophobicContact CG-SD 4.32Å; L232-M259 HydrophobicContact CD1-CG 4Å; C255-M259 WeakPolarHBondContact O-CG 3.17Å; C255-M259 PolarHBondContact O-N 2.99Å; V256-M259 WeakPolarHBondContact O-CB 3.04Å; V256-M259 PolarHBondContact O-N 3.27Å; V256-M259 VanDerWaalsContact O-N 3.15Å; D257-M259 VanDerWaalsContact C-N 3.3Å; D257-M259 PolarHBondContact O-N 3.48Å; M259-T261 PolarHBondContact O-N 2.75Å; M259-I262 HydrophobicContact CE-CD1 4.39Å; M259-I262 WeakPolarHBondContact O-CG1 3.46Å; M259-I262 PolarHBondContact O-N 3.23Å; M259-I262 HydrophobicContact SD-CD1 4.1Å; M259-F269 HydrophobicContact CE-CD1 4.18Å; M259-F269 VanDerWaalsContact O-CE1 3.29Å; M259-F269 WeakPolarHBondContact O-CE1 3.31Å; M259-T301 HydrophobicContact CE-CG2 3.88Å; M259-M304 HydrophobicContact CB-CE 4.15Å; M259-M304 HydrophobicContact CG-CE 4.02Å
260L98.7Very high97.7Very high38 Ų3835.3 Ų35.320%0.19919%0.189CC..Hα-helixtrans-60.3-33176.6-57.2179.7000112.7V256 D257 W258 I262 Q263 L305 K316 Y317 S320V256-L260 PolarHBondContact O-N 3.1Å; D257-L260 VanDerWaalsContact O-CB 3.31Å; D257-L260 WeakPolarHBondContact O-CB 3.33Å; D257-L260 PolarHBondContact O-N 2.89Å; D257-L260 VanDerWaalsContact O-N 3.09Å; W258-L260 PolarHBondContact O-N 3.18Å; L260-I262 PolarHBondContact O-N 3.37Å; L260-Q263 PolarHBondContact O-N 3.46Å; L260-L305 HydrophobicContact CD2-CD2 3.57Å; L260-K316 HydrophobicContact CD1-CB 4.31Å; L260-K316 HydrophobicContact CD1-CD 3.86Å; L260-K316 HydrophobicContact CD1-CG 3.75Å; L260-Y317 HydrophobicContact CD1-CD1 3.94Å; L260-Y317 HydrophobicContact CD1-CE1 3.85Å; L260-Y317 HydrophobicContact CD2-CD1 4.3Å; L260-Y317 HydrophobicContact CG-CD1 4.45Å; L260-Y317 HydrophobicContact CG-CE1 4.47Å; L260-S320 VanDerWaalsContact CD2-CB 3.47Å; L260-S320 WeakPolarHBondContact CD2-OG 3.35Å
261T97.7Very high97.6Very high92 Ų9229 Ų2956%0.56417%0.167SC*.Hα-helixtrans-69.7-19.9-179.174.10000113.7D257 W258 M259D257-T261 PolarHBondContact O-N 2.95Å; W258-T261 WeakPolarHBondContact O-CB 3.31Å; W258-T261 PolarHBondContact O-N 2.69Å; W258-T261 PolarHBondContact O-OG1 3.29Å; M259-T261 PolarHBondContact O-N 2.75Å
262I96.7Very high97.4Very high17 Ų1729.3 Ų29.39%0.08717%0.17CC..THydrogen-bonded Turntrans-103.33.3179.963.8157.9000113.1L222 W258 M259 L260 Q264 F269 P270 T276L222-I262 HydrophobicContact CD1-CD1 3.6Å; W258-I262 HydrophobicContact CE3-CD1 4.38Å; W258-I262 HydrophobicContact CH2-CD1 3.73Å; W258-I262 HydrophobicContact CH2-CG1 4.4Å; W258-I262 HydrophobicContact CH2-CG2 3.97Å; W258-I262 HydrophobicContact CZ2-CG2 3.8Å; W258-I262 HydrophobicContact CZ3-CD1 3.57Å; W258-I262 HydrophobicContact CZ3-CG1 4.21Å; W258-I262 HydrophobicContact CZ3-CG2 4.45Å; M259-I262 HydrophobicContact CE-CD1 4.39Å; M259-I262 WeakPolarHBondContact O-CG1 3.46Å; M259-I262 PolarHBondContact O-N 3.23Å; M259-I262 HydrophobicContact SD-CD1 4.1Å; L260-I262 PolarHBondContact O-N 3.37Å; I262-Q264 PolarHBondContact O-N 2.6Å; I262-F269 HydrophobicContact CD1-CD1 4.47Å; I262-F269 HydrophobicContact CG1-CD1 4.26Å; I262-P270 VanDerWaalsContact O-CD 3.24Å; I262-P270 WeakPolarHBondContact O-CD 3.41Å; I262-T276 HydrophobicContact CB-CG2 4.4Å; I262-T276 HydrophobicContact CG2-CG2 4.2Å
263Q98.1Very high97.2Very high23 Ų2329.4 Ų29.411%0.10717%0.17CC..  trans-65.9122.1173.8-170.8175.632.700109.7L260 G267 N268 F269 S320L260-Q263 PolarHBondContact O-N 3.46Å; Q263-G267 PolarHBondContact NE2-O 2.84Å; Q263-N268 CarbonylContact C-O 3.58Å; Q263-N268 WeakPolarHBondContact CA-O 3.44Å; Q263-F269 HydrophobicContact CB-CD1 4.36Å; Q263-F269 HydrophobicContact CB-CE1 3.7Å; Q263-F269 HydrophobicContact CB-CE2 4.23Å; Q263-F269 HydrophobicContact CB-CZ 3.62Å; Q263-F269 HydrophobicContact CG-CD2 4.37Å; Q263-F269 HydrophobicContact CG-CE1 4.11Å; Q263-F269 HydrophobicContact CG-CE2 3.71Å; Q263-F269 HydrophobicContact CG-CZ 3.57Å; Q263-S320 PolarHBondContact NE2-O 2.99Å; Q263-S320 VanDerWaalsContact NE2-O 3.09Å; Q263-S320 PolarHBondContact NE2-OG 2.84Å; Q263-S320 PolarHBondContact OE1-OG 2.78Å
264Q95.4Very high96.9Very high66 Ų6631.8 Ų31.831%0.30818%0.178SC..  trans-68.5165-179.3-67.7174.4-34.400111.4I262 D266 G267 N268 P270 R323I262-Q264 PolarHBondContact O-N 2.6Å; Q264-D266 VanDerWaalsContact C-N 3.28Å; Q264-D266 PolarHBondContact O-N 2.81Å; Q264-G267 PolarHBondContact O-N 3.39Å; Q264-N268 PolarHBondContact N-O 3.5Å; Q264-P270 HydrophobicContact CG-CG 4.45Å; Q264-R323 PolarHBondContact O-NH2 3.15Å
265S94.4Very high96.5Very high118 Ų11831.1 Ų31.183%0.82517%0.173SC*.THydrogen-bonded Turntrans-60.2-35.7-174.251.90000113.1G267 R323S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.27Å; S265-R323 VanDerWaalsContact C-NH2 3.34Å; S265-R323 PolarHBondContact O-NH2 3.42Å
266D94.3Very high96Very high56 Ų5633.2 Ų33.230%0.29919%0.185SC..THydrogen-bonded Turntrans-79.1-6.1177.872.7-14.4000114.1Q264 N268 L327 K331Q264-D266 VanDerWaalsContact C-N 3.28Å; Q264-D266 PolarHBondContact O-N 2.81Å; D266-N268 WeakPolarHBondContact OD1-CB 3.38Å; D266-N268 PolarHBondContact OD1-N 2.73Å; D266-L327 HydrophobicContact CB-CD1 4.29Å; D266-L327 WeakPolarHBondContact O-CB 3.39Å; D266-L327 WeakPolarHBondContact OD2-CD1 3.44Å; D266-K331 IonicContact OD2-NZ 3.74Å; D266-K331 PolarHBondContact OD2-NZ 2.98Å
267G97.9Very high95.4Very high0 Ų034 Ų340%019%0.189CC..SBendtrans103.1-1.6179.700000114.4Q263 Q264 S265Q263-G267 PolarHBondContact NE2-O 2.84Å; Q264-G267 PolarHBondContact O-N 3.39Å; S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.27Å
268N97.6Very high94.1Very high4 Ų437.8 Ų37.82%0.02122%0.216CC..  trans-79.6173.6-179.5-150.53.4000113.2Q263 Q264 D266 E290 L291 G297 A298 L327Q263-N268 CarbonylContact C-O 3.58Å; Q263-N268 WeakPolarHBondContact CA-O 3.44Å; Q264-N268 PolarHBondContact N-O 3.5Å; D266-N268 WeakPolarHBondContact OD1-CB 3.38Å; D266-N268 PolarHBondContact OD1-N 2.73Å; N268-E290 WeakPolarHBondContact CB-OE1 3.34Å; N268-E290 WeakPolarHBondContact ND2-CG 3.44Å; N268-E290 PolarHBondContact ND2-OE1 3.23Å; N268-L291 PolarHBondContact ND2-O 3.19Å; N268-G297 VanDerWaalsContact OD1-CA 3.29Å; N268-G297 WeakPolarHBondContact OD1-CA 3.38Å; N268-A298 PolarHBondContact OD1-N 3.06Å; N268-L327 VanDerWaalsContact CA-CD2 3.43Å; N268-L327 HydrophobicContact CB-CD2 3.27Å; N268-L327 VanDerWaalsContact CG-CD2 3.48Å
269F97.7Very high92.6Very high2 Ų242 Ų421%0.00924%0.244CC..  trans-126.5138.5174-69.5-97.8000110M259 I262 Q263 G297 A298 T301 L305 C324M259-F269 HydrophobicContact CE-CD1 4.18Å; M259-F269 VanDerWaalsContact O-CE1 3.29Å; M259-F269 WeakPolarHBondContact O-CE1 3.31Å; I262-F269 HydrophobicContact CD1-CD1 4.47Å; I262-F269 HydrophobicContact CG1-CD1 4.26Å; Q263-F269 HydrophobicContact CB-CD1 4.36Å; Q263-F269 HydrophobicContact CB-CE1 3.7Å; Q263-F269 HydrophobicContact CB-CE2 4.23Å; Q263-F269 HydrophobicContact CB-CZ 3.62Å; Q263-F269 HydrophobicContact CG-CD2 4.37Å; Q263-F269 HydrophobicContact CG-CE1 4.11Å; Q263-F269 HydrophobicContact CG-CE2 3.71Å; Q263-F269 HydrophobicContact CG-CZ 3.57Å; F269-G297 WeakPolarHBondContact O-CA 3.36Å; F269-A298 HydrophobicContact CD2-CB 4.34Å; F269-T301 HydrophobicContact CD1-CG2 3.84Å; F269-T301 HydrophobicContact CD2-CG2 3.84Å; F269-T301 HydrophobicContact CE1-CG2 3.67Å; F269-T301 HydrophobicContact CE2-CG2 3.7Å; F269-T301 HydrophobicContact CG-CG2 3.91Å; F269-T301 HydrophobicContact CZ-CG2 3.6Å; F269-L305 HydrophobicContact CE2-CD1 4.39Å; F269-L305 HydrophobicContact CZ-CD1 4.05Å; F269-C324 VanDerWaalsContact CE2-SG 3.57Å
270P95.6Very high91Very high6 Ų644 Ų444%0.03926%0.258CS..  trans-54.3146171.2-25.935.7000111.8L222 I262 Q264 T272 E275 T276L222-P270 HydrophobicContact CD1-CB 4.21Å; I262-P270 VanDerWaalsContact O-CD 3.24Å; I262-P270 WeakPolarHBondContact O-CD 3.41Å; Q264-P270 HydrophobicContact CG-CG 4.45Å; P270-T272 VanDerWaalsContact C-N 3.34Å; P270-E275 HydrophobicContact CB-CB 3.89Å; P270-T276 HydrophobicContact CB-CG2 3.87Å; P270-T276 HydrophobicContact CG-CG2 3.79Å
271S95.4Very high88.8Confident14 Ų1451.2 Ų51.210%0.09829%0.291CS..SBendtrans-77.5-27.3-178.7-58.70000112L222 E275L222-S271 PolarHBondContact N-O 3.46Å; S271-E275 WeakPolarHBondContact CB-OE1 3.38Å; S271-E275 PolarHBondContact N-OE2 3.5Å
272T95.8Very high86.7Confident19 Ų1949.6 Ų49.612%0.11728%0.284CS..BIsolated β-bridgetrans-138.1157.6-17662.50000111.4V219 H220 Y221 L222 P270 E274 E275V219-T272 HydrophobicContact CG1-CG2 3.63Å; H220-T272 CarbonylContact O-C 3.56Å; H220-T272 WeakPolarHBondContact O-CA 3.4Å; Y221-T272 HydrophobicContact CD1-CG2 3.99Å; Y221-T272 HydrophobicContact CE1-CG2 4.27Å; L222-T272 VanDerWaalsContact CD1-C 3.46Å; L222-T272 WeakPolarHBondContact CD1-O 3.29Å; P270-T272 VanDerWaalsContact C-N 3.34Å; T272-E274 PolarHBondContact O-N 3.5Å; T272-E275 PolarHBondContact N-OE1 3.33Å; T272-E275 PolarHBondContact O-N 2.92Å; T272-E275 WeakPolarHBondContact OG1-CG 3.21Å; T272-E275 PolarHBondContact OG1-OE1 2.99Å
273L95Very high84.5Confident1 Ų152.6 Ų52.61%0.00531%0.306CS..SBendtrans-61.5-35.1173.8-176.667.2000111.2F200 L213 H220 W258 E275 T276 M277F200-L273 HydrophobicContact CD1-CD2 4.42Å; F200-L273 HydrophobicContact CE1-CD2 3.84Å; F200-L273 HydrophobicContact CZ-CD2 4.23Å; L213-L273 HydrophobicContact CD1-CD2 3.83Å; L213-L273 HydrophobicContact CD2-CD2 3.96Å; H220-L273 HydrophobicContact CB-CB 3.67Å; H220-L273 PolarHBondContact O-N 2.84Å; W258-L273 HydrophobicContact CH2-CD1 3.66Å; W258-L273 HydrophobicContact CZ2-CD1 3.64Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 3.1Å; L273-T276 WeakPolarHBondContact O-CB 3.47Å; L273-T276 PolarHBondContact O-N 3.26Å; L273-T276 PolarHBondContact O-OG1 2.84Å; L273-M277 HydrophobicContact CD2-CE 3.76Å; L273-M277 HydrophobicContact CG-CE 3.72Å
274E92Very high82.4Confident69 Ų6957.2 Ų57.232%0.32234%0.338SS..G310 helixtrans-57.6-37-179.8-73.375.2-168.700113.1H220 T272 T276 M277 S280H220-E274 IonicContact CE1-OE1 2.65Å; H220-E274 PolarHBondContact CE1-OE1 3.14Å; H220-E274 IonicContact CG-OE1 3.03Å; H220-E274 IonicContact ND1-OE1 2.65Å; H220-E274 PolarHBondContact ND1-OE1 3.4Å; H220-E274 IonicContact ND1-OE2 2.71Å; T272-E274 PolarHBondContact O-N 3.5Å; E274-T276 PolarHBondContact O-N 3.37Å; E274-M277 WeakPolarHBondContact O-CB 3.49Å; E274-M277 PolarHBondContact O-N 3.44Å; E274-M277 VanDerWaalsContact O-N 3.12Å; E274-S280 WeakPolarHBondContact O-CB 3.22Å
275E90.2Very high80.4Confident61 Ų6157.1 Ų57.129%0.28534%0.342SS..G310 helixtrans-66.2-15.8176.1-74.2159.7-124.800113.1P270 S271 T272 L273P270-E275 HydrophobicContact CB-CB 3.89Å; S271-E275 WeakPolarHBondContact CB-OE1 3.38Å; S271-E275 PolarHBondContact N-OE2 3.5Å; T272-E275 PolarHBondContact N-OE1 3.33Å; T272-E275 PolarHBondContact O-N 2.92Å; T272-E275 WeakPolarHBondContact OG1-CG 3.21Å; T272-E275 PolarHBondContact OG1-OE1 2.99Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 3.1Å
276T88.5Confident78.8Confident44 Ų4457.7 Ų57.727%0.2733%0.332SS..G310 helixtrans-89.1-11.1176.277.20000112.8L222 I262 P270 L273 E274L222-T276 HydrophobicContact CD1-CG2 4.28Å; I262-T276 HydrophobicContact CB-CG2 4.4Å; I262-T276 HydrophobicContact CG2-CG2 4.2Å; P270-T276 HydrophobicContact CB-CG2 3.87Å; P270-T276 HydrophobicContact CG-CG2 3.79Å; L273-T276 WeakPolarHBondContact O-CB 3.47Å; L273-T276 PolarHBondContact O-N 3.26Å; L273-T276 PolarHBondContact O-OG1 2.84Å; E274-T276 PolarHBondContact O-N 3.37Å
277M85.2Confident77.5Confident15 Ų1559.6 Ų59.67%0.07434%0.342CS..SBendtrans-84.6143.6-171.7-60.8-167.2-174.600111.7F200 L273 E274 T279 S280F200-M277 HydrophobicContact CE1-CE 3.75Å; F200-M277 HydrophobicContact CZ-CE 3.75Å; L273-M277 HydrophobicContact CD2-CE 3.76Å; L273-M277 HydrophobicContact CG-CE 3.72Å; E274-M277 WeakPolarHBondContact O-CB 3.49Å; E274-M277 PolarHBondContact O-N 3.44Å; E274-M277 VanDerWaalsContact O-N 3.12Å; M277-T279 PolarHBondContact O-N 2.96Å; M277-S280 WeakPolarHBondContact O-CB 3.48Å; M277-S280 PolarHBondContact O-N 3.48Å
278P73.4Confident76.1Confident131 Ų13164.2 Ų64.285%0.85136%0.363SS*.THydrogen-bonded Turntrans-57.5-26.8177.5-24.332.8000114S280P278-S280 VanDerWaalsContact C-N 3.25Å; P278-S280 PolarHBondContact O-N 3.2Å
279T67Low75.2Confident106 Ų10667.6 Ų67.665%0.6538%0.381SS*.THydrogen-bonded Turntrans-79.9-2.8179.559.30000113.5M277 Q281M277-T279 PolarHBondContact O-N 2.96Å; T279-Q281 PolarHBondContact O-N 2.88Å
280S64.6Low74.8Confident41 Ų4167.9 Ų67.929%0.28738%0.383SS..  trans-63.3107.6178.1106.70000107.9E274 M277 P278 S282E274-S280 WeakPolarHBondContact O-CB 3.22Å; M277-S280 WeakPolarHBondContact O-CB 3.48Å; M277-S280 PolarHBondContact O-N 3.48Å; P278-S280 VanDerWaalsContact C-N 3.25Å; P278-S280 PolarHBondContact O-N 3.2Å; S280-S282 WeakPolarHBondContact CB-OG 3.08Å; S280-S282 PolarHBondContact O-N 3.32Å; S280-S282 PolarHBondContact OG-O 3.5Å; S280-S282 PolarHBondContact OG-OG 3.42Å
281Q53.3Low74.7Confident190 Ų19069.4 Ų69.489%0.88839%0.39SS*.  trans-73.9-4.1166-73.1-166.39.100111.5T279 S283T279-Q281 PolarHBondContact O-N 2.88Å; Q281-S283 VanDerWaalsContact C-N 3.29Å; Q281-S283 PolarHBondContact O-N 2.97Å
282S53.4Low74.8Confident59 Ų5968.8 Ų68.841%0.41339%0.386SS..SBendtrans-56.4105.7163.6360000106.3S280S280-S282 WeakPolarHBondContact CB-OG 3.08Å; S280-S282 PolarHBondContact O-N 3.32Å; S280-S282 PolarHBondContact OG-O 3.5Å; S280-S282 PolarHBondContact OG-OG 3.42Å
283S50.2Low74.9Confident79 Ų7968.3 Ų68.355%0.55238%0.383SS*.  trans-35.6139.3153.9-35.20000106.8Q281 T285Q281-S283 VanDerWaalsContact C-N 3.29Å; Q281-S283 PolarHBondContact O-N 2.97Å; S283-T285 PolarHBondContact O-N 3.19Å
284P52.8Low75.1Confident120 Ų12068.3 Ų68.378%0.77938%0.382SS*.SBendtrans-42.3118.216718.8-30000105.6E286P284-E286 PolarHBondContact O-N 3.25Å
285T54.5Low75.4Confident64 Ų6465.6 Ų65.639%0.39337%0.371SS..  trans-42.7117.3-169.5430000105.5S283 D287S283-T285 PolarHBondContact O-N 3.19Å; T285-D287 PolarHBondContact O-N 2.96Å; T285-D287 VanDerWaalsContact O-N 3.15Å
286E59.6Low75.8Confident131 Ų13164.4 Ų64.461%0.61237%0.365SS*.  trans-46.2134.2-176.4-70.1-177173.600106.2P284 E288 D289P284-E286 PolarHBondContact O-N 3.25Å; E286-E288 CarbonylContact O-C 3.58Å; E286-E288 PolarHBondContact O-N 3.48Å; E286-D289 PolarHBondContact O-N 3Å
287D68.1Low76.2Confident96 Ų9662.3 Ų62.351%0.51335%0.353SS..THydrogen-bonded Turntrans-50.7-21.4-167.9-168.325.9000112.8Y4 T285 K331Y4-D287 PolarHBondContact OH-O 3.42Å; T285-D287 PolarHBondContact O-N 2.96Å; T285-D287 VanDerWaalsContact O-N 3.15Å; D287-K331 WeakPolarHBondContact OD1-CE 3.45Å; D287-K331 IonicContact OD1-NZ 3.43Å; D287-K331 PolarHBondContact OD1-NZ 2.64Å
288E68.4Low76.8Confident96 Ų9661.6 Ų61.645%0.44935%0.349SS..THydrogen-bonded Turntrans-74.9-30.5174.9-54.5-160.1174.500116V2 R3 E286V2-E288 WeakPolarHBondContact CA-O 3.22Å; V2-E288 HydrophobicContact CB-CB 4.38Å; V2-E288 HydrophobicContact CG2-CB 3.94Å; V2-E288 HydrophobicContact CG2-CG 3.77Å; R3-E288 PolarHBondContact N-O 2.99Å; E286-E288 CarbonylContact O-C 3.58Å; E286-E288 PolarHBondContact O-N 3.48Å
289D78.1Confident78.1Confident75 Ų7555.4 Ų55.440%0.40131%0.309SS..THydrogen-bonded Turntrans-100.52.8-172.7-92.5-11.9000114R3 E286R3-D289 VanDerWaalsContact CD-O 3.28Å; R3-D289 WeakPolarHBondContact CD-O 3.45Å; R3-D289 PolarHBondContact NE-O 3.32Å; R3-D289 IonicContact NE-OD1 3.69Å; E286-D289 PolarHBondContact O-N 3Å
290E88.9Confident79.6Confident8 Ų850.4 Ų50.44%0.03728%0.278CS..  trans-61.3137.4178.8-173.1179.7-148.100113.5R3 N268 V292 K331R3-E290 WeakPolarHBondContact CD-O 3.3Å; N268-E290 WeakPolarHBondContact CB-OE1 3.34Å; N268-E290 WeakPolarHBondContact ND2-CG 3.44Å; N268-E290 PolarHBondContact ND2-OE1 3.23Å; E290-V292 HydrophobicContact CG-CG2 4.21Å; E290-K331 WeakPolarHBondContact OE2-CD 3.49Å; E290-K331 WeakPolarHBondContact OE2-CE 3.28Å; E290-K331 IonicContact OE2-NZ 3.54Å; E290-K331 PolarHBondContact OE2-NZ 3.26Å
291L94.9Very high81.2Confident39 Ų3948.5 Ų48.520%0.20427%0.265CS..  trans-91.4114176-62.2177000110.6N268 H293 H296N268-L291 PolarHBondContact ND2-O 3.19Å; L291-H293 VanDerWaalsContact CD2-CE1 3.41Å; L291-H293 WeakPolarHBondContact CD2-CE1 3.45Å; L291-H296 HydrophobicContact CB-CB 4.07Å; L291-H296 HydrophobicContact CD1-CB 3.86Å
292V97.5Very high83.4Confident1 Ų139.4 Ų39.41%0.00622%0.222CC..  trans-118.465.5174.8-172.30000108.6E290 P299 L327 I328 K331 N347E290-V292 HydrophobicContact CG-CG2 4.21Å; V292-P299 VanDerWaalsContact C-CG 3.47Å; V292-P299 HydrophobicContact CG1-CG 3.9Å; V292-L327 HydrophobicContact CG1-CD2 4.4Å; V292-L327 HydrophobicContact CG1-CG 4.41Å; V292-L327 HydrophobicContact CG2-CD2 4.29Å; V292-L327 HydrophobicContact CG2-CG 4.44Å; V292-I328 HydrophobicContact CG1-CG1 3.94Å; V292-K331 HydrophobicContact CG2-CB 4.08Å; V292-N347 PolarHBondContact O-ND2 3.42Å; V292-N347 PolarHBondContact O-OD1 2.87Å
293H98.2Very high85.5Confident9 Ų936.7 Ų36.74%0.04220%0.203CC..SBendtrans-124.9160.9-170.6-56.3164.9000111.9L291 C295 H296 P299 L334 H342L291-H293 VanDerWaalsContact CD2-CE1 3.41Å; L291-H293 WeakPolarHBondContact CD2-CE1 3.45Å; H293-C295 VanDerWaalsContact C-N 3.31Å; H293-C295 PolarHBondContact O-N 2.97Å; H293-H296 CarbonylContact C-O 3.51Å; H293-H296 WeakPolarHBondContact CA-O 3.46Å; H293-H296 PolarHBondContact N-O 2.89Å; H293-H296 CarbonylContact O-C 3.13Å; H293-H296 PolarHBondContact O-N 3.43Å; H293-P299 VanDerWaalsContact O-CD 3.29Å; H293-P299 WeakPolarHBondContact O-CD 3.41Å; H293-L334 WeakPolarHBondContact CD2-CD1 3.49Å; H293-H342 HydrophobicContact CB-CB 3.78Å; H293-H342 VanDerWaalsContact CG-CB 3.47Å; H293-H342 WeakPolarHBondContact ND1-CB 3.28Å
294W98.7Very high87.9Confident1 Ų132.9 Ų32.90%0.00418%0.177CC..SBendtrans-60.9-41.5170.2169.685.2000111.4L108 F155 A224 A225 H296 G300 I340 C341 F393 F415 F418L108-W294 HydrophobicContact CD1-CH2 4.03Å; F155-W294 AromaticContact CE1-CH2 3.92Å; F155-W294 HydrophobicContact CE1-CH2 3.92Å; F155-W294 AromaticContact CE1-CZ3 3.92Å; F155-W294 HydrophobicContact CE1-CZ3 3.92Å; F155-W294 HydrophobicContact CZ-CZ3 4.25Å; A224-W294 HydrophobicContact CB-CD2 4.26Å; A224-W294 HydrophobicContact CB-CG 4.47Å; A224-W294 HydrophobicContact CB-CZ2 4.16Å; A224-W294 VanDerWaalsContact CB-O 3.29Å; A224-W294 WeakPolarHBondContact CB-O 3.39Å; A224-W294 PolarHBondContact N-O 3.33Å; A225-W294 HydrophobicContact CB-CH2 4.48Å; A225-W294 HydrophobicContact CB-CZ3 4.07Å; W294-H296 PolarHBondContact O-N 2.87Å; W294-G300 WeakPolarHBondContact O-CA 3.43Å; W294-I340 WeakPolarHBondContact CB-O 3.32Å; W294-C341 WeakPolarHBondContact CA-O 3.33Å; W294-C341 VanDerWaalsContact CB-O 3.27Å; W294-C341 WeakPolarHBondContact CB-O 3.5Å; W294-C341 HydrophobicContact CE3-CB 4.16Å; W294-C341 PolarHBondContact N-O 3.21Å; W294-F393 HydrophobicContact CE3-CD1 4.28Å; W294-F393 HydrophobicContact CE3-CE1 4.24Å; W294-F393 HydrophobicContact CH2-CD1 4.32Å; W294-F393 AromaticContact CH2-CE1 3.65Å; W294-F393 HydrophobicContact CH2-CE1 3.65Å; W294-F393 HydrophobicContact CZ2-CE1 4.17Å; W294-F393 AromaticContact CZ3-CD1 3.89Å; W294-F393 HydrophobicContact CZ3-CD1 3.89Å; W294-F393 AromaticContact CZ3-CE1 3.69Å; W294-F393 HydrophobicContact CZ3-CE1 3.69Å; W294-F415 HydrophobicContact CB-CE2 4.4Å; W294-F415 HydrophobicContact CB-CZ 4.22Å; W294-F415 AromaticContact CD1-CE2 3.76Å; W294-F415 AromaticContact CD1-CZ 3.5Å; W294-F415 VanDerWaalsContact CD1-CZ 3.5Å; W294-F415 HydrophobicContact CD2-CE1 4.49Å; W294-F415 HydrophobicContact CD2-CZ 4.02Å; W294-F415 HydrophobicContact CG-CE1 4.48Å; W294-F415 HydrophobicContact CG-CE2 4.11Å; W294-F415 AromaticContact CG-CZ 3.66Å; W294-F415 HydrophobicContact CG-CZ 3.66Å; W294-F415 AromaticContact NE1-CE1 3.91Å; W294-F415 AromaticContact NE1-CZ 3.76Å; W294-F418 HydrophobicContact CZ2-CD2 4.11Å; W294-F418 HydrophobicContact CZ2-CE2 4.04Å; W294-F418 HydrophobicContact CZ2-CG 4.48Å; W294-F418 HydrophobicContact CZ2-CZ 4.32Å; W294-F418 AromaticContact NE1-CD1 3.66Å; W294-F418 AromaticContact NE1-CE1 3.55Å
295C98.5Very high90.1Very high12 Ų1227.2 Ų27.28%0.08114%0.14CC..SBendtrans-69.5-29.9179.652.60000114.6G223 A224 A225 H293 C341G223-C295 CarbonylContact C-O 3.47Å; G223-C295 WeakPolarHBondContact CA-O 3.37Å; A224-C295 PolarHBondContact N-O 3.03Å; A225-C295 HydrophobicContact CB-CB 3.7Å; H293-C295 VanDerWaalsContact C-N 3.31Å; H293-C295 PolarHBondContact O-N 2.97Å; C295-C341 VanDerWaalsContact CB-SG 3.56Å; C295-C341 PolarHBondContact N-O 2.82Å; C295-C341 VanDerWaalsContact SG-SG 3.62Å
296H97.3Very high92.2Very high35 Ų3524.1 Ų24.116%0.16212%0.121CC..SBendtrans-147.6124.9-175.6-61.3-71.2000110.5Y221 L291 H293 W294Y221-H296 AromaticContact CD1-CE1 3.55Å; Y221-H296 AromaticContact CE1-CE1 3.79Å; L291-H296 HydrophobicContact CB-CB 4.07Å; L291-H296 HydrophobicContact CD1-CB 3.86Å; H293-H296 CarbonylContact C-O 3.51Å; H293-H296 WeakPolarHBondContact CA-O 3.46Å; H293-H296 PolarHBondContact N-O 2.89Å; H293-H296 CarbonylContact O-C 3.13Å; H293-H296 PolarHBondContact O-N 3.43Å; W294-H296 PolarHBondContact O-N 2.87Å
297G97.7Very high94Very high1 Ų118.7 Ų18.71%0.0110%0.095CC..SBendtrans98.6-162.7178.800000114.6N268 F269 P299 T301N268-G297 VanDerWaalsContact OD1-CA 3.29Å; N268-G297 WeakPolarHBondContact OD1-CA 3.38Å; F269-G297 WeakPolarHBondContact O-CA 3.36Å; G297-P299 VanDerWaalsContact C-CD 3.49Å; G297-T301 PolarHBondContact O-N 3.06Å; G297-T301 PolarHBondContact O-OG1 3.37Å
298A98.7Very high95.5Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-53.8-43-172.200000115.2N268 F269 G300 T301 A302 C324 L327N268-A298 PolarHBondContact OD1-N 3.06Å; F269-A298 HydrophobicContact CD2-CB 4.34Å; A298-G300 PolarHBondContact O-N 2.89Å; A298-T301 PolarHBondContact O-N 2.99Å; A298-A302 WeakPolarHBondContact O-CB 3.33Å; A298-A302 PolarHBondContact O-N 3.41Å; A298-C324 HydrophobicContact CB-CB 3.92Å; A298-L327 HydrophobicContact CB-CD2 3.79Å
299P98.9Very high97Very high1 Ų111.8 Ų11.81%0.0066%0.058CC..Hα-helixtrans-61.9-41.7-172.6-22.529.7000114.2V292 H293 G297 I328 N347 V350V292-P299 VanDerWaalsContact C-CG 3.47Å; V292-P299 HydrophobicContact CG1-CG 3.9Å; H293-P299 VanDerWaalsContact O-CD 3.29Å; H293-P299 WeakPolarHBondContact O-CD 3.41Å; G297-P299 VanDerWaalsContact C-CD 3.49Å; P299-I328 HydrophobicContact CB-CD1 4.01Å; P299-I328 HydrophobicContact CG-CD1 3.82Å; P299-I328 HydrophobicContact CG-CG1 3.95Å; P299-N347 VanDerWaalsContact CB-OD1 3.25Å; P299-N347 WeakPolarHBondContact CB-OD1 3.31Å; P299-N347 WeakPolarHBondContact CG-OD1 3.29Å; P299-V350 HydrophobicContact CB-CG2 4.09Å
300G98.8Very high97.9Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-69.7-43176.200000112.3W294 A298 A302 L303 M304W294-G300 WeakPolarHBondContact O-CA 3.43Å; A298-G300 PolarHBondContact O-N 2.89Å; G300-A302 VanDerWaalsContact C-N 3.32Å; G300-A302 PolarHBondContact O-N 3.28Å; G300-L303 WeakPolarHBondContact O-CB 3.47Å; G300-L303 PolarHBondContact O-N 2.93Å; G300-M304 PolarHBondContact O-N 3.05Å
301T98.9Very high98.4Very high1 Ų111.7 Ų11.71%0.0066%0.057CC..Hα-helixtrans-66.3-33.5178.3-55.10000112.7S229 M259 F269 G297 A298 L303 M304 L305S229-T301 WeakPolarHBondContact OG-CA 2.95Å; M259-T301 HydrophobicContact CE-CG2 3.88Å; F269-T301 HydrophobicContact CD1-CG2 3.84Å; F269-T301 HydrophobicContact CD2-CG2 3.84Å; F269-T301 HydrophobicContact CE1-CG2 3.67Å; F269-T301 HydrophobicContact CE2-CG2 3.7Å; F269-T301 HydrophobicContact CG-CG2 3.91Å; F269-T301 HydrophobicContact CZ-CG2 3.6Å; G297-T301 PolarHBondContact O-N 3.06Å; G297-T301 PolarHBondContact O-OG1 3.37Å; A298-T301 PolarHBondContact O-N 2.99Å; T301-L303 VanDerWaalsContact C-N 3.28Å; T301-L303 PolarHBondContact O-N 3.14Å; T301-M304 HydrophobicContact CG2-CE 3.96Å; T301-M304 WeakPolarHBondContact O-CB 3.33Å; T301-M304 PolarHBondContact O-N 3.13Å; T301-M304 VanDerWaalsContact O-N 3.14Å; T301-L305 HydrophobicContact CG2-CD1 4.11Å; T301-L305 HydrophobicContact CG2-CG 4.23Å; T301-L305 WeakPolarHBondContact O-CB 3.25Å; T301-L305 VanDerWaalsContact O-CG 3.28Å; T301-L305 WeakPolarHBondContact O-CG 3.47Å; T301-L305 PolarHBondContact O-N 3.43Å
302A98.9Very high98.5Very high0 Ų012.4 Ų12.40%06%0.057CC..Hα-helixtrans-57.3-42173.500000111.7A298 G300 L305 A306 L321 C324 V350A298-A302 WeakPolarHBondContact O-CB 3.33Å; A298-A302 PolarHBondContact O-N 3.41Å; G300-A302 VanDerWaalsContact C-N 3.32Å; G300-A302 PolarHBondContact O-N 3.28Å; A302-L305 PolarHBondContact O-N 3.1Å; A302-A306 WeakPolarHBondContact O-CB 3.45Å; A302-A306 PolarHBondContact O-N 3.35Å; A302-L321 HydrophobicContact CB-CD1 3.47Å; A302-L321 VanDerWaalsContact CB-CD1 3.47Å; A302-L321 WeakPolarHBondContact O-CD1 3.49Å; A302-C324 HydrophobicContact CB-CB 3.79Å; A302-V350 HydrophobicContact CB-CG1 3.61Å; A302-V350 HydrophobicContact CB-CG2 4.11Å
303L98.9Very high98.6Very high1 Ų118 Ų181%0.0058%0.081CC..Hα-helixtrans-64.8-42.7176.3-61.5-174.4000111.4Q233 G300 T301 L305 A306 R307 V350 V353 F415 F418 I420Q233-L303 PolarHBondContact OE1-O 3.49Å; G300-L303 WeakPolarHBondContact O-CB 3.47Å; G300-L303 PolarHBondContact O-N 2.93Å; T301-L303 VanDerWaalsContact C-N 3.28Å; T301-L303 PolarHBondContact O-N 3.14Å; L303-L305 PolarHBondContact O-N 3.05Å; L303-A306 WeakPolarHBondContact O-CB 3.45Å; L303-A306 PolarHBondContact O-N 2.71Å; L303-R307 PolarHBondContact O-N 3.47Å; L303-V350 HydrophobicContact CD2-CG2 4.35Å; L303-V353 HydrophobicContact CD2-CB 4.46Å; L303-V353 HydrophobicContact CD2-CG2 3.86Å; L303-F415 HydrophobicContact CD1-CB 4.23Å; L303-F415 HydrophobicContact CD1-CD1 4.49Å; L303-F415 HydrophobicContact CD1-CD2 3.6Å; L303-F415 HydrophobicContact CD1-CE2 4.03Å; L303-F415 HydrophobicContact CD1-CG 3.87Å; L303-F418 HydrophobicContact CB-CD1 4.1Å; L303-F418 HydrophobicContact CB-CE1 3.84Å; L303-F418 HydrophobicContact CD1-CD1 3.58Å; L303-F418 HydrophobicContact CD1-CE1 3.93Å; L303-F418 HydrophobicContact CG-CD1 4.49Å; L303-I420 HydrophobicContact CB-CD1 3.93Å; L303-I420 HydrophobicContact CD2-CG1 4.45Å; L303-I420 WeakPolarHBondContact O-CD1 3.41Å
304M98.8Very high98.6Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-62.1-44.3174.6-177.6-78.2-66.500111.7S229 L232 Q233 L236 V256 M259 G300 T301 A306 R307 A308S229-M304 WeakPolarHBondContact O-CG 3.45Å; S229-M304 WeakPolarHBondContact OG-CB 3.34Å; L232-M304 HydrophobicContact CB-CG 3.95Å; L232-M304 HydrophobicContact CB-SD 4.29Å; L232-M304 HydrophobicContact CD1-CE 4.45Å; L232-M304 HydrophobicContact CD1-SD 4.47Å; Q233-M304 HydrophobicContact CB-CB 4.13Å; Q233-M304 HydrophobicContact CB-CG 4.13Å; Q233-M304 VanDerWaalsContact OE1-N 3.09Å; L236-M304 HydrophobicContact CD1-CG 4.44Å; L236-M304 HydrophobicContact CD1-SD 4.19Å; V256-M304 HydrophobicContact CG1-CE 4.35Å; V256-M304 HydrophobicContact CG1-SD 3.9Å; V256-M304 HydrophobicContact CG2-SD 4.01Å; M259-M304 HydrophobicContact CB-CE 4.15Å; M259-M304 HydrophobicContact CG-CE 4.02Å; G300-M304 PolarHBondContact O-N 3.05Å; T301-M304 HydrophobicContact CG2-CE 3.96Å; T301-M304 WeakPolarHBondContact O-CB 3.33Å; T301-M304 PolarHBondContact O-N 3.13Å; T301-M304 VanDerWaalsContact O-N 3.14Å; M304-A306 PolarHBondContact O-N 2.7Å; M304-R307 WeakPolarHBondContact O-CB 3.08Å; M304-R307 PolarHBondContact O-N 3.07Å; M304-R307 VanDerWaalsContact O-N 3.15Å; M304-A308 PolarHBondContact O-N 3.3Å
305L99Very high98.6Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-63.5-39.7177.3-70.7169.1000112.2V256 L260 F269 T301 A302 L303 R307 A308 Y309 Y317 S320 L321V256-L305 HydrophobicContact CG1-CD2 4.48Å; L260-L305 HydrophobicContact CD2-CD2 3.57Å; F269-L305 HydrophobicContact CE2-CD1 4.39Å; F269-L305 HydrophobicContact CZ-CD1 4.05Å; T301-L305 HydrophobicContact CG2-CD1 4.11Å; T301-L305 HydrophobicContact CG2-CG 4.23Å; T301-L305 WeakPolarHBondContact O-CB 3.25Å; T301-L305 VanDerWaalsContact O-CG 3.28Å; T301-L305 WeakPolarHBondContact O-CG 3.47Å; T301-L305 PolarHBondContact O-N 3.43Å; A302-L305 PolarHBondContact O-N 3.1Å; L303-L305 PolarHBondContact O-N 3.05Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 2.88Å; L305-A308 PolarHBondContact O-N 3.5Å; L305-Y309 WeakPolarHBondContact O-CB 3.45Å; L305-Y309 PolarHBondContact O-N 3.45Å; L305-Y317 HydrophobicContact CD2-CD1 4.12Å; L305-S320 WeakPolarHBondContact CD1-OG 3.29Å; L305-L321 HydrophobicContact CB-CB 4.31Å
306A98.9Very high98.6Very high0 Ų027.2 Ų27.20%013%0.127CC..Hα-helixtrans-61-43.4173.200000110.9A302 L303 M304 Y309 M310 L321 V353 I357 I420A302-A306 WeakPolarHBondContact O-CB 3.45Å; A302-A306 PolarHBondContact O-N 3.35Å; L303-A306 WeakPolarHBondContact O-CB 3.45Å; L303-A306 PolarHBondContact O-N 2.71Å; M304-A306 PolarHBondContact O-N 2.7Å; A306-Y309 PolarHBondContact O-N 2.8Å; A306-M310 WeakPolarHBondContact O-CG 3.21Å; A306-M310 PolarHBondContact O-N 3.32Å; A306-L321 HydrophobicContact CB-CD2 3.84Å; A306-V353 HydrophobicContact CB-CG1 3.42Å; A306-V353 VanDerWaalsContact CB-CG1 3.42Å; A306-I357 HydrophobicContact CB-CD1 3.82Å; A306-I420 HydrophobicContact CB-CG2 3.73Å
307R98.7Very high98.7Very high17 Ų1725.8 Ų25.86%0.06412%0.121CC..Hα-helixtrans-64.5-43.4175.4-17665.5-148.2156.81.5111.8L236 L303 M304 L305 Y309 M310 V311 I420L236-R307 HydrophobicContact CB-CG 3.74Å; L236-R307 PolarHBondContact O-NE 3.2Å; L236-R307 PolarHBondContact O-NH2 3.26Å; L303-R307 PolarHBondContact O-N 3.47Å; M304-R307 WeakPolarHBondContact O-CB 3.08Å; M304-R307 PolarHBondContact O-N 3.07Å; M304-R307 VanDerWaalsContact O-N 3.15Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 2.88Å; R307-Y309 PolarHBondContact O-N 3.33Å; R307-M310 PolarHBondContact O-N 3.18Å; R307-M310 VanDerWaalsContact O-N 3.13Å; R307-V311 WeakPolarHBondContact O-CG2 3.3Å; R307-V311 PolarHBondContact O-N 3.09Å; R307-V311 VanDerWaalsContact O-N 3.07Å; R307-I420 HydrophobicContact CB-CD1 4.5Å; R307-I420 HydrophobicContact CB-CG2 4.45Å; R307-I420 WeakPolarHBondContact CD-O 3.47Å; R307-I420 PolarHBondContact NH1-O 3.33Å
308A98.9Very high98.7Very high0 Ų026.3 Ų26.30%012%0.123CC..Hα-helixtrans-59.7-44.2175.300000111.9L236 V256 M304 L305 M310 V311 Y312 Y317L236-A308 HydrophobicContact CD1-CB 3.95Å; V256-A308 HydrophobicContact CG1-CB 3.75Å; V256-A308 HydrophobicContact CG2-CB 4.49Å; M304-A308 PolarHBondContact O-N 3.3Å; L305-A308 PolarHBondContact O-N 3.5Å; A308-M310 VanDerWaalsContact C-N 3.29Å; A308-M310 PolarHBondContact O-N 3.13Å; A308-V311 PolarHBondContact O-N 2.95Å; A308-V311 VanDerWaalsContact O-N 3.13Å; A308-Y312 HydrophobicContact CB-CD2 4.22Å; A308-Y312 HydrophobicContact CB-CE2 4.48Å; A308-Y312 WeakPolarHBondContact O-CD2 3.46Å; A308-Y312 PolarHBondContact O-N 3.03Å; A308-Y317 HydrophobicContact CB-CD1 4.3Å; A308-Y317 HydrophobicContact CB-CD2 4.14Å; A308-Y317 HydrophobicContact CB-CE2 4.36Å; A308-Y317 HydrophobicContact CB-CG 4.1Å
309Y98.8Very high98.7Very high47 Ų4730.6 Ų30.618%0.18414%0.143CC..Hα-helixtrans-59-40.4173.5179.3-104.7000111.9L305 A306 R307 V311 K313 D314 L318 I357L305-Y309 WeakPolarHBondContact O-CB 3.45Å; L305-Y309 PolarHBondContact O-N 3.45Å; A306-Y309 PolarHBondContact O-N 2.8Å; R307-Y309 PolarHBondContact O-N 3.33Å; Y309-V311 VanDerWaalsContact C-N 3.3Å; Y309-V311 PolarHBondContact O-N 3.27Å; Y309-K313 VanDerWaalsContact O-CA 3.22Å; Y309-K313 WeakPolarHBondContact O-CA 3.38Å; Y309-K313 WeakPolarHBondContact O-CD 3.13Å; Y309-K313 PolarHBondContact O-N 3.01Å; Y309-D314 WeakPolarHBondContact CD2-O 3.16Å; Y309-L318 HydrophobicContact CD2-CB 3.85Å; Y309-L318 HydrophobicContact CE2-CB 3.89Å; Y309-L318 HydrophobicContact CE2-CD2 4.23Å; Y309-L318 HydrophobicContact CG-CB 4.38Å; Y309-I357 HydrophobicContact CD1-CD1 4.37Å; Y309-I357 HydrophobicContact CD1-CG2 3.92Å; Y309-I357 HydrophobicContact CE1-CG2 3.6Å
310M98.4Very high98.7Very high59 Ų5930.8 Ų30.829%0.29114%0.144SC..Hα-helixtrans-66.9-29.8177-67.4-53-69.200113.5A306 R307 A308 K313 F421A306-M310 WeakPolarHBondContact O-CG 3.21Å; A306-M310 PolarHBondContact O-N 3.32Å; R307-M310 PolarHBondContact O-N 3.18Å; R307-M310 VanDerWaalsContact O-N 3.13Å; A308-M310 VanDerWaalsContact C-N 3.29Å; A308-M310 PolarHBondContact O-N 3.13Å; M310-K313 WeakPolarHBondContact O-CE 3.24Å; M310-K313 PolarHBondContact SD-NZ 3.05Å; M310-K313 VanDerWaalsContact SD-NZ 3.39Å; M310-F421 HydrophobicContact CE-CD1 4.17Å; M310-F421 HydrophobicContact CG-CD1 4.44Å; M310-F421 HydrophobicContact CG-CE1 4.45Å; M310-F421 HydrophobicContact SD-CD1 4.42Å; M310-F421 HydrophobicContact SD-CE1 4.28Å
311V98.4Very high98.7Very high22 Ų2230.8 Ų30.813%0.13314%0.144CC..Hα-helixtrans-83.3-47.1178.9174.90000112.3L236 P239 R307 A308 Y309L236-V311 HydrophobicContact CB-CG2 4.46Å; L236-V311 HydrophobicContact CD2-CG2 4.5Å; L236-V311 WeakPolarHBondContact O-CG2 3.4Å; P239-V311 HydrophobicContact CB-CG1 4.07Å; P239-V311 HydrophobicContact CB-CG2 4.23Å; R307-V311 WeakPolarHBondContact O-CG2 3.3Å; R307-V311 PolarHBondContact O-N 3.09Å; R307-V311 VanDerWaalsContact O-N 3.07Å; A308-V311 PolarHBondContact O-N 2.95Å; A308-V311 VanDerWaalsContact O-N 3.13Å; Y309-V311 VanDerWaalsContact C-N 3.3Å; Y309-V311 PolarHBondContact O-N 3.27Å
312Y98.2Very high98.7Very high53 Ų5333 Ų3321%0.20815%0.152CC..Hα-helixtrans-102.1-20.7-169.2-59-54.7000114L236 E249 A253 A308 D314 Y317L236-Y312 HydrophobicContact CD2-CE2 3.56Å; L236-Y312 WeakPolarHBondContact CD2-OH 3.16Å; E249-Y312 HydrophobicContact CG-CE1 4.45Å; A253-Y312 HydrophobicContact CB-CE1 4.41Å; A253-Y312 HydrophobicContact CB-CE2 4.37Å; A308-Y312 HydrophobicContact CB-CD2 4.22Å; A308-Y312 HydrophobicContact CB-CE2 4.48Å; A308-Y312 WeakPolarHBondContact O-CD2 3.46Å; A308-Y312 PolarHBondContact O-N 3.03Å; Y312-D314 PolarHBondContact O-N 3.21Å; Y312-D314 VanDerWaalsContact O-N 3.11Å; Y312-Y317 HydrophobicContact CD2-CD2 4.47Å; Y312-Y317 AromaticContact CD2-CE2 3.6Å; Y312-Y317 HydrophobicContact CD2-CE2 3.6Å; Y312-Y317 HydrophobicContact CG-CE2 4.11Å
313K98Very high98.7Very high118 Ų11837.3 Ų37.351%0.51317%0.169SC..  trans56.622.4-178.6-57.3-68.4173.1-172.60114.8Y309 M310Y309-K313 VanDerWaalsContact O-CA 3.22Å; Y309-K313 WeakPolarHBondContact O-CA 3.38Å; Y309-K313 WeakPolarHBondContact O-CD 3.13Å; Y309-K313 PolarHBondContact O-N 3.01Å; M310-K313 WeakPolarHBondContact O-CE 3.24Å; M310-K313 PolarHBondContact SD-NZ 3.05Å; M310-K313 VanDerWaalsContact SD-NZ 3.39Å
314D98.6Very high98.7Very high65 Ų6537.2 Ų37.235%0.34817%0.169SC..  trans-84.8125.4174.5-171.1-22.1000110.4Y309 Y312 K316 Y317Y309-D314 WeakPolarHBondContact CD2-O 3.16Å; Y312-D314 PolarHBondContact O-N 3.21Å; Y312-D314 VanDerWaalsContact O-N 3.11Å; D314-K316 HydrophobicContact CB-CG 4.35Å; D314-K316 PolarHBondContact O-N 2.78Å; D314-K316 WeakPolarHBondContact OD1-CG 3.36Å; D314-K316 PolarHBondContact OD1-N 3.35Å; D314-K316 VanDerWaalsContact OD1-N 3.14Å; D314-K316 VanDerWaalsContact OD2-CD 3.25Å; D314-K316 WeakPolarHBondContact OD2-CD 3.38Å; D314-K316 WeakPolarHBondContact OD2-CE 3.44Å; D314-K316 IonicContact OD2-NZ 2.68Å; D314-K316 PolarHBondContact OD2-NZ 3.45Å; D314-K316 VanDerWaalsContact OD2-NZ 3.12Å; D314-Y317 HydrophobicContact CB-CD2 3.92Å; D314-Y317 HydrophobicContact CB-CE2 3.8Å; D314-Y317 WeakPolarHBondContact O-CD2 3.43Å; D314-Y317 PolarHBondContact O-N 3.2Å
315D98.7Very high98.7Very high81 Ų8137.2 Ų37.243%0.43317%0.169SC..Hα-helixtrans-61.8-25.5-174.9-167.864.5000113Y317 L318 Q319D315-Y317 PolarHBondContact O-N 3.35Å; D315-Y317 VanDerWaalsContact O-N 3.13Å; D315-L318 WeakPolarHBondContact O-CA 3.49Å; D315-L318 WeakPolarHBondContact O-CB 3.25Å; D315-L318 PolarHBondContact O-N 2.99Å; D315-Q319 WeakPolarHBondContact O-CG 3.46Å; D315-Q319 PolarHBondContact O-N 2.85Å; D315-Q319 WeakPolarHBondContact OD2-CG 3.3Å; D315-Q319 PolarHBondContact OD2-NE2 3.27Å
316K98.8Very high98.7Very high71 Ų7140 Ų4031%0.30918%0.184SC..Hα-helixtrans-56-34.4178.273.9-169.7-179.3-162.80113D257 L260 D314 S320D257-K316 WeakPolarHBondContact OD1-CE 3.4Å; D257-K316 IonicContact OD1-NZ 3.01Å; D257-K316 PolarHBondContact OD1-NZ 2.97Å; D257-K316 IonicContact OD2-NZ 3.67Å; D257-K316 PolarHBondContact OD2-NZ 3.35Å; L260-K316 HydrophobicContact CD1-CB 4.31Å; L260-K316 HydrophobicContact CD1-CD 3.86Å; L260-K316 HydrophobicContact CD1-CG 3.75Å; D314-K316 HydrophobicContact CB-CG 4.35Å; D314-K316 PolarHBondContact O-N 2.78Å; D314-K316 WeakPolarHBondContact OD1-CG 3.36Å; D314-K316 PolarHBondContact OD1-N 3.35Å; D314-K316 VanDerWaalsContact OD1-N 3.14Å; D314-K316 VanDerWaalsContact OD2-CD 3.25Å; D314-K316 WeakPolarHBondContact OD2-CD 3.38Å; D314-K316 WeakPolarHBondContact OD2-CE 3.44Å; D314-K316 IonicContact OD2-NZ 2.68Å; D314-K316 PolarHBondContact OD2-NZ 3.45Å; D314-K316 VanDerWaalsContact OD2-NZ 3.12Å; K316-S320 PolarHBondContact O-N 3.04Å
317Y98.9Very high98.7Very high5 Ų540.2 Ų40.22%0.0218%0.184CC..Hα-helixtrans-71-39.1177-56.6-50.1000111.5V256 D257 L260 L305 A308 Y312 D314 D315 S320 L321V256-Y317 HydrophobicContact CB-CE1 4.21Å; V256-Y317 HydrophobicContact CG1-CD1 3.79Å; V256-Y317 HydrophobicContact CG1-CE1 3.31Å; D257-Y317 WeakPolarHBondContact OD1-CE1 3.39Å; D257-Y317 PolarHBondContact OD1-OH 3.21Å; L260-Y317 HydrophobicContact CD1-CD1 3.94Å; L260-Y317 HydrophobicContact CD1-CE1 3.85Å; L260-Y317 HydrophobicContact CD2-CD1 4.3Å; L260-Y317 HydrophobicContact CG-CD1 4.45Å; L260-Y317 HydrophobicContact CG-CE1 4.47Å; L305-Y317 HydrophobicContact CD2-CD1 4.12Å; A308-Y317 HydrophobicContact CB-CD1 4.3Å; A308-Y317 HydrophobicContact CB-CD2 4.14Å; A308-Y317 HydrophobicContact CB-CE2 4.36Å; A308-Y317 HydrophobicContact CB-CG 4.1Å; Y312-Y317 HydrophobicContact CD2-CD2 4.47Å; Y312-Y317 AromaticContact CD2-CE2 3.6Å; Y312-Y317 HydrophobicContact CD2-CE2 3.6Å; Y312-Y317 HydrophobicContact CG-CE2 4.11Å; D314-Y317 HydrophobicContact CB-CD2 3.92Å; D314-Y317 HydrophobicContact CB-CE2 3.8Å; D314-Y317 WeakPolarHBondContact O-CD2 3.43Å; D314-Y317 PolarHBondContact O-N 3.2Å; D315-Y317 PolarHBondContact O-N 3.35Å; D315-Y317 VanDerWaalsContact O-N 3.13Å; Y317-S320 PolarHBondContact O-N 3.38Å; Y317-L321 VanDerWaalsContact O-CB 3.24Å; Y317-L321 WeakPolarHBondContact O-CB 3.42Å; Y317-L321 PolarHBondContact O-N 2.92Å
318L98.9Very high98.7Very high12 Ų1239.4 Ų39.46%0.06318%0.181CC..Hα-helixtrans-66.3-41.4175-179.356.5000111Y309 D315 S320 L321 R322 L354 I357 T358Y309-L318 HydrophobicContact CD2-CB 3.85Å; Y309-L318 HydrophobicContact CE2-CB 3.89Å; Y309-L318 HydrophobicContact CE2-CD2 4.23Å; Y309-L318 HydrophobicContact CG-CB 4.38Å; D315-L318 WeakPolarHBondContact O-CA 3.49Å; D315-L318 WeakPolarHBondContact O-CB 3.25Å; D315-L318 PolarHBondContact O-N 2.99Å; L318-S320 PolarHBondContact O-N 3.35Å; L318-L321 HydrophobicContact CD1-CD2 4.28Å; L318-L321 WeakPolarHBondContact O-CB 3.38Å; L318-L321 PolarHBondContact O-N 2.79Å; L318-R322 HydrophobicContact CD1-CG 4.44Å; L318-R322 VanDerWaalsContact O-CG 3.29Å; L318-R322 WeakPolarHBondContact O-CG 3.43Å; L318-R322 PolarHBondContact O-N 2.7Å; L318-L354 HydrophobicContact CD1-CD2 4.44Å; L318-I357 HydrophobicContact CD1-CG2 3.91Å; L318-T358 HydrophobicContact CD1-CG2 4.02Å
319Q98.9Very high98.7Very high89 Ų8940.3 Ų40.342%0.41619%0.185SC..Hα-helixtrans-62.2-44.7176.5-61.9-53.2-27.700112.1D315 L321 R322 R323D315-Q319 WeakPolarHBondContact O-CG 3.46Å; D315-Q319 PolarHBondContact O-N 2.85Å; D315-Q319 WeakPolarHBondContact OD2-CG 3.3Å; D315-Q319 PolarHBondContact OD2-NE2 3.27Å; Q319-L321 VanDerWaalsContact C-N 3.35Å; Q319-L321 PolarHBondContact O-N 2.73Å; Q319-R322 PolarHBondContact O-N 2.98Å; Q319-R323 WeakPolarHBondContact O-CG 3.49Å; Q319-R323 PolarHBondContact O-N 3.03Å
320S98.9Very high98.6Very high6 Ų644.7 Ų44.74%0.04221%0.205CC..Hα-helixtrans-62.9-41.2175.3-174.20000112.3L260 Q263 L305 K316 Y317 L318 R322 R323 C324L260-S320 VanDerWaalsContact CD2-CB 3.47Å; L260-S320 WeakPolarHBondContact CD2-OG 3.35Å; Q263-S320 PolarHBondContact NE2-O 2.99Å; Q263-S320 VanDerWaalsContact NE2-O 3.09Å; Q263-S320 PolarHBondContact NE2-OG 2.84Å; Q263-S320 PolarHBondContact OE1-OG 2.78Å; L305-S320 WeakPolarHBondContact CD1-OG 3.29Å; K316-S320 PolarHBondContact O-N 3.04Å; Y317-S320 PolarHBondContact O-N 3.38Å; L318-S320 PolarHBondContact O-N 3.35Å; S320-R322 PolarHBondContact O-N 3.49Å; S320-R323 WeakPolarHBondContact O-CB 3.47Å; S320-R323 PolarHBondContact O-N 3.19Å; S320-C324 PolarHBondContact O-N 3.44Å; S320-C324 PolarHBondContact O-SG 3.45Å; S320-C324 VanDerWaalsContact O-SG 3.37Å
321L98.9Very high98.5Very high0 Ų042.9 Ų42.90%020%0.195CC..Hα-helixtrans-61.1-40.2174.7173.858.7000112.5A302 L305 A306 Y317 L318 Q319 R323 C324 G325 V350 L354 I357A302-L321 HydrophobicContact CB-CD1 3.47Å; A302-L321 VanDerWaalsContact CB-CD1 3.47Å; A302-L321 WeakPolarHBondContact O-CD1 3.49Å; L305-L321 HydrophobicContact CB-CB 4.31Å; A306-L321 HydrophobicContact CB-CD2 3.84Å; Y317-L321 VanDerWaalsContact O-CB 3.24Å; Y317-L321 WeakPolarHBondContact O-CB 3.42Å; Y317-L321 PolarHBondContact O-N 2.92Å; L318-L321 HydrophobicContact CD1-CD2 4.28Å; L318-L321 WeakPolarHBondContact O-CB 3.38Å; L318-L321 PolarHBondContact O-N 2.79Å; Q319-L321 VanDerWaalsContact C-N 3.35Å; Q319-L321 PolarHBondContact O-N 2.73Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 3.42Å; L321-C324 VanDerWaalsContact O-CB 3.32Å; L321-C324 WeakPolarHBondContact O-CB 3.48Å; L321-C324 PolarHBondContact O-N 3.23Å; L321-G325 PolarHBondContact O-N 3.08Å; L321-V350 HydrophobicContact CD1-CG1 4.35Å; L321-L354 HydrophobicContact CD1-CD2 4.49Å; L321-L354 HydrophobicContact CD1-CG 4.24Å; L321-L354 HydrophobicContact CD2-CD2 3.93Å; L321-L354 HydrophobicContact CD2-CG 4.25Å; L321-L354 HydrophobicContact CG-CD1 4.49Å; L321-L354 HydrophobicContact CG-CD2 3.67Å; L321-L354 HydrophobicContact CG-CG 3.94Å; L321-I357 HydrophobicContact CD2-CD1 3.94Å
322R98.9Very high98.5Very high46 Ų4641.8 Ų41.817%0.17419%0.189CC..Hα-helixtrans-61.5-43175.2-70.8176.9178.4-79.68.2111.6L318 Q319 S320 C324 G325 D326 L354 E360 Y363L318-R322 HydrophobicContact CD1-CG 4.44Å; L318-R322 VanDerWaalsContact O-CG 3.29Å; L318-R322 WeakPolarHBondContact O-CG 3.43Å; L318-R322 PolarHBondContact O-N 2.7Å; Q319-R322 PolarHBondContact O-N 2.98Å; S320-R322 PolarHBondContact O-N 3.49Å; R322-C324 VanDerWaalsContact C-N 3.31Å; R322-C324 PolarHBondContact O-N 2.7Å; R322-G325 CarbonylContact O-C 3.26Å; R322-G325 WeakPolarHBondContact O-CA 3.38Å; R322-G325 PolarHBondContact O-N 3.08Å; R322-D326 PolarHBondContact O-N 3.02Å; R322-L354 HydrophobicContact CG-CD2 4.15Å; R322-E360 IonicContact CZ-OE1 2.78Å; R322-E360 IonicContact NH1-OE1 2.72Å; R322-E360 PolarHBondContact NH1-OE1 2.94Å; R322-E360 IonicContact NH1-OE2 2.7Å; R322-E360 PolarHBondContact NH1-OE2 3.42Å; R322-E360 IonicContact NH2-OE1 3.42Å; R322-E360 PolarHBondContact NH2-OE1 3.03Å; R322-Y363 WeakPolarHBondContact CG-OH 3.42Å; R322-Y363 PolarHBondContact NH1-OH 3.37Å
323R98.9Very high98.5Very high91 Ų9139.3 Ų39.334%0.34318%0.179SC..Hα-helixtrans-61.2-38.9175-65176.568.2-151.10.7112Q264 S265 Q319 S320 L321 G325 D326 L327Q264-R323 PolarHBondContact O-NH2 3.15Å; S265-R323 VanDerWaalsContact C-NH2 3.34Å; S265-R323 PolarHBondContact O-NH2 3.42Å; Q319-R323 WeakPolarHBondContact O-CG 3.49Å; Q319-R323 PolarHBondContact O-N 3.03Å; S320-R323 WeakPolarHBondContact O-CB 3.47Å; S320-R323 PolarHBondContact O-N 3.19Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 3.42Å; R323-G325 VanDerWaalsContact C-N 3.33Å; R323-G325 PolarHBondContact O-N 2.92Å; R323-D326 PolarHBondContact O-N 3.3Å; R323-L327 PolarHBondContact O-N 3.01Å
324C98.9Very high98.5Very high0 Ų033.8 Ų33.80%016%0.155CC..Hα-helixtrans-58.8-46.1169.9-61.20000111.5F269 A298 A302 S320 L321 R322 D326 L327 I328F269-C324 VanDerWaalsContact CE2-SG 3.57Å; A298-C324 HydrophobicContact CB-CB 3.92Å; A302-C324 HydrophobicContact CB-CB 3.79Å; S320-C324 PolarHBondContact O-N 3.44Å; S320-C324 PolarHBondContact O-SG 3.45Å; S320-C324 VanDerWaalsContact O-SG 3.37Å; L321-C324 VanDerWaalsContact O-CB 3.32Å; L321-C324 WeakPolarHBondContact O-CB 3.48Å; L321-C324 PolarHBondContact O-N 3.23Å; R322-C324 VanDerWaalsContact C-N 3.31Å; R322-C324 PolarHBondContact O-N 2.7Å; C324-D326 VanDerWaalsContact C-N 3.31Å; C324-D326 PolarHBondContact O-N 2.87Å; C324-L327 PolarHBondContact O-N 3.29Å; C324-I328 WeakPolarHBondContact O-CB 3.28Å; C324-I328 WeakPolarHBondContact O-CD1 2.96Å; C324-I328 WeakPolarHBondContact O-CG1 3.46Å; C324-I328 PolarHBondContact O-N 3.06Å
325G98.9Very high98.5Very high0 Ų033.1 Ų33.10%015%0.148CC..Hα-helixtrans-58.2-41.2176.600000112.8L321 R322 R323 I328 W329 F351 R366L321-G325 PolarHBondContact O-N 3.08Å; R322-G325 CarbonylContact O-C 3.26Å; R322-G325 WeakPolarHBondContact O-CA 3.38Å; R322-G325 PolarHBondContact O-N 3.08Å; R323-G325 VanDerWaalsContact C-N 3.33Å; R323-G325 PolarHBondContact O-N 2.92Å; G325-I328 PolarHBondContact O-N 3.49Å; G325-W329 WeakPolarHBondContact O-CB 3.49Å; G325-W329 PolarHBondContact O-N 3.23Å; G325-F351 VanDerWaalsContact O-CE1 3.31Å; G325-F351 WeakPolarHBondContact O-CE1 3.42Å; G325-R366 PolarHBondContact O-NH1 3.23Å
326D98.7Very high98.4Very high59 Ų5932.6 Ų32.632%0.31614%0.142SC..Hα-helixtrans-70.6-37.1179.4-66.1-26.5000112.9R322 R323 C324 K330 R366R322-D326 PolarHBondContact O-N 3.02Å; R323-D326 PolarHBondContact O-N 3.3Å; C324-D326 VanDerWaalsContact C-N 3.31Å; C324-D326 PolarHBondContact O-N 2.87Å; D326-K330 WeakPolarHBondContact O-CG 3.19Å; D326-K330 PolarHBondContact O-N 3.36Å; D326-R366 IonicContact OD1-CZ 2.71Å; D326-R366 IonicContact OD1-NH1 2.66Å; D326-R366 PolarHBondContact OD1-NH1 3.45Å; D326-R366 IonicContact OD1-NH2 3.62Å; D326-R366 PolarHBondContact OD1-NH2 3.18Å
327L98.2Very high98.3Very high3 Ų329.2 Ų29.22%0.01613%0.127CC..Hα-helixtrans-62.1-49.8169.8176.966.1000111.5D266 N268 V292 A298 R323 C324 W329 K330 K331D266-L327 HydrophobicContact CB-CD1 4.29Å; D266-L327 WeakPolarHBondContact O-CB 3.39Å; D266-L327 WeakPolarHBondContact OD2-CD1 3.44Å; N268-L327 VanDerWaalsContact CA-CD2 3.43Å; N268-L327 HydrophobicContact CB-CD2 3.27Å; N268-L327 VanDerWaalsContact CG-CD2 3.48Å; V292-L327 HydrophobicContact CG1-CD2 4.4Å; V292-L327 HydrophobicContact CG1-CG 4.41Å; V292-L327 HydrophobicContact CG2-CD2 4.29Å; V292-L327 HydrophobicContact CG2-CG 4.44Å; A298-L327 HydrophobicContact CB-CD2 3.79Å; R323-L327 PolarHBondContact O-N 3.01Å; C324-L327 PolarHBondContact O-N 3.29Å; L327-W329 PolarHBondContact O-N 3.06Å; L327-K330 PolarHBondContact O-N 2.97Å; L327-K331 HydrophobicContact CD1-CB 4.47Å; L327-K331 HydrophobicContact CD1-CD 3.71Å; L327-K331 HydrophobicContact CD1-CG 4.18Å; L327-K331 PolarHBondContact O-N 3.12Å
328I98.8Very high98.3Very high0 Ų029.6 Ų29.60%013%0.13CC..Hα-helixtrans-61.3-37-178.2-68.4165.5000109.8V292 P299 C324 G325 K330 G332 N347 V350 F351 F370V292-I328 HydrophobicContact CG1-CG1 3.94Å; P299-I328 HydrophobicContact CB-CD1 4.01Å; P299-I328 HydrophobicContact CG-CD1 3.82Å; P299-I328 HydrophobicContact CG-CG1 3.95Å; C324-I328 WeakPolarHBondContact O-CB 3.28Å; C324-I328 WeakPolarHBondContact O-CD1 2.96Å; C324-I328 WeakPolarHBondContact O-CG1 3.46Å; C324-I328 PolarHBondContact O-N 3.06Å; G325-I328 PolarHBondContact O-N 3.49Å; I328-K330 VanDerWaalsContact C-N 3.28Å; I328-K330 PolarHBondContact O-N 2.67Å; I328-G332 WeakPolarHBondContact O-CA 3.49Å; I328-G332 PolarHBondContact O-N 3.08Å; I328-N347 HydrophobicContact CG2-CB 3.68Å; I328-V350 HydrophobicContact CD1-CB 3.82Å; I328-V350 HydrophobicContact CD1-CG1 3.7Å; I328-V350 HydrophobicContact CD1-CG2 3.81Å; I328-F351 HydrophobicContact CB-CE1 4.37Å; I328-F351 HydrophobicContact CB-CZ 4.07Å; I328-F351 HydrophobicContact CG2-CE1 4.24Å; I328-F351 HydrophobicContact CG2-CE2 3.97Å; I328-F351 HydrophobicContact CG2-CZ 3.58Å; I328-F370 HydrophobicContact CG2-CE1 4.1Å; I328-F370 HydrophobicContact CG2-CZ 4.28Å; I328-F370 VanDerWaalsContact O-CZ 3.32Å; I328-F370 WeakPolarHBondContact O-CZ 3.5Å
329W98.7Very high98.3Very high19 Ų1929 Ų297%0.07213%0.127CC..Hα-helixtrans-57.9-43.3173.4179.6-120.5000112N7 F9 P10 D11 G325 L327 F351 Y365 R366 F370N7-W329 VanDerWaalsContact ND2-CE2 3.26Å; N7-W329 WeakPolarHBondContact ND2-CH2 3.37Å; N7-W329 WeakPolarHBondContact ND2-CZ2 3.41Å; N7-W329 VanDerWaalsContact ND2-CZ3 3.29Å; N7-W329 WeakPolarHBondContact ND2-CZ3 3.37Å; N7-W329 PolarHBondContact ND2-O 3.37Å; F9-W329 HydrophobicContact CB-CH2 3.68Å; F9-W329 HydrophobicContact CB-CZ2 4.09Å; P10-W329 WeakPolarHBondContact O-CZ2 3.41Å; D11-W329 HydrophobicContact CB-CZ2 4.27Å; G325-W329 WeakPolarHBondContact O-CB 3.49Å; G325-W329 PolarHBondContact O-N 3.23Å; L327-W329 PolarHBondContact O-N 3.06Å; W329-F351 HydrophobicContact CB-CE1 4.43Å; W329-F351 HydrophobicContact CB-CZ 4.15Å; W329-F351 HydrophobicContact CE3-CZ 4.31Å; W329-Y365 HydrophobicContact CH2-CD1 4.3Å; W329-Y365 AromaticContact CH2-CE1 3.82Å; W329-Y365 HydrophobicContact CH2-CE1 3.82Å; W329-Y365 HydrophobicContact CZ2-CE1 4.29Å; W329-R366 HydrophobicContact CD2-CG 3.75Å; W329-R366 HydrophobicContact CE3-CB 3.68Å; W329-R366 HydrophobicContact CE3-CG 3.3Å; W329-R366 HydrophobicContact CG-CG 4.42Å; W329-R366 HydrophobicContact CH2-CG 4.19Å; W329-R366 HydrophobicContact CZ3-CB 3.77Å; W329-R366 HydrophobicContact CZ3-CG 3.56Å; W329-F370 HydrophobicContact CE3-CD2 4.35Å; W329-F370 AromaticContact CE3-CE2 3.69Å; W329-F370 HydrophobicContact CE3-CE2 3.69Å; W329-F370 HydrophobicContact CZ3-CD2 4.16Å; W329-F370 AromaticContact CZ3-CE2 3.87Å; W329-F370 HydrophobicContact CZ3-CE2 3.87Å
330K97Very high98.3Very high139 Ų13924.8 Ų24.860%0.60411%0.107SC*.Hα-helixtrans-75.3-40.6-178-66.4171.9-175.3178.20113.4D326 L327 I328D326-K330 WeakPolarHBondContact O-CG 3.19Å; D326-K330 PolarHBondContact O-N 3.36Å; L327-K330 PolarHBondContact O-N 2.97Å; I328-K330 VanDerWaalsContact C-N 3.28Å; I328-K330 PolarHBondContact O-N 2.67Å
331K97.3Very high98.3Very high21 Ų2124.5 Ų24.59%0.09111%0.105CC..Hα-helixtrans-1265.5-166-56.7-173.9-172.6169.40114.5Y4 D266 D287 E290 V292 L327Y4-K331 WeakPolarHBondContact CB-O 3.32Å; Y4-K331 HydrophobicContact CD1-CB 3.98Å; Y4-K331 HydrophobicContact CD1-CG 4.43Å; Y4-K331 HydrophobicContact CD2-CB 4.18Å; Y4-K331 HydrophobicContact CD2-CG 4.4Å; Y4-K331 HydrophobicContact CE1-CB 4.01Å; Y4-K331 HydrophobicContact CE1-CD 3.88Å; Y4-K331 HydrophobicContact CE1-CG 3.96Å; Y4-K331 HydrophobicContact CE2-CB 4.2Å; Y4-K331 HydrophobicContact CE2-CG 3.92Å; Y4-K331 HydrophobicContact CG-CB 4.08Å; D266-K331 IonicContact OD2-NZ 3.74Å; D266-K331 PolarHBondContact OD2-NZ 2.98Å; D287-K331 WeakPolarHBondContact OD1-CE 3.45Å; D287-K331 IonicContact OD1-NZ 3.43Å; D287-K331 PolarHBondContact OD1-NZ 2.64Å; E290-K331 WeakPolarHBondContact OE2-CD 3.49Å; E290-K331 WeakPolarHBondContact OE2-CE 3.28Å; E290-K331 IonicContact OE2-NZ 3.54Å; E290-K331 PolarHBondContact OE2-NZ 3.26Å; V292-K331 HydrophobicContact CG2-CB 4.08Å; L327-K331 HydrophobicContact CD1-CB 4.47Å; L327-K331 HydrophobicContact CD1-CD 3.71Å; L327-K331 HydrophobicContact CD1-CG 4.18Å; L327-K331 PolarHBondContact O-N 3.12Å
332G98.2Very high98.2Very high0 Ų024.9 Ų24.90%011%0.107CC..  trans-89.7-4.6-170.600000115.8I328 L334 N347 F370I328-G332 WeakPolarHBondContact O-CA 3.49Å; I328-G332 PolarHBondContact O-N 3.08Å; G332-L334 PolarHBondContact O-N 3.18Å; G332-L334 VanDerWaalsContact O-N 3.1Å; G332-N347 WeakPolarHBondContact CA-ND2 3.37Å; G332-N347 PolarHBondContact O-ND2 3.14Å; G332-F370 WeakPolarHBondContact O-CE1 3.29Å
333L98.4Very high98.2Very high1 Ų122.8 Ų22.81%0.00510%0.099CC..SBendtrans-78.986.5170.4-63-176.8000109Y4 F5 N7 V344 F370 F373Y4-L333 CarbonylContact C-O 3.55Å; Y4-L333 VanDerWaalsContact CA-O 3.24Å; Y4-L333 WeakPolarHBondContact CA-O 3.21Å; Y4-L333 WeakPolarHBondContact CB-O 3.32Å; F5-L333 HydrophobicContact CB-CB 4.1Å; F5-L333 VanDerWaalsContact CD2-O 3.32Å; F5-L333 WeakPolarHBondContact CD2-O 3.4Å; F5-L333 PolarHBondContact N-O 2.71Å; N7-L333 HydrophobicContact CB-CD1 4.16Å; L333-V344 HydrophobicContact CD2-CG1 3.99Å; L333-F370 HydrophobicContact CD2-CB 4.39Å; L333-F370 HydrophobicContact CD2-CD1 3.77Å; L333-F370 HydrophobicContact CD2-CD2 3.61Å; L333-F370 HydrophobicContact CD2-CE1 3.78Å; L333-F370 HydrophobicContact CD2-CE2 3.6Å; L333-F370 HydrophobicContact CD2-CG 3.67Å; L333-F370 HydrophobicContact CD2-CZ 3.67Å; L333-F370 HydrophobicContact CG-CE1 4.44Å; L333-F370 HydrophobicContact CG-CE2 4.08Å; L333-F370 HydrophobicContact CG-CZ 4.01Å; L333-F373 HydrophobicContact CB-CD1 4.07Å; L333-F373 HydrophobicContact CB-CE1 3.88Å; L333-F373 HydrophobicContact CB-CZ 4.42Å; L333-F373 HydrophobicContact CD1-CB 4.42Å; L333-F373 HydrophobicContact CD1-CD1 3.95Å; L333-F373 HydrophobicContact CD1-CD2 3.83Å; L333-F373 HydrophobicContact CD1-CE1 4.13Å; L333-F373 HydrophobicContact CD1-CE2 4.04Å; L333-F373 HydrophobicContact CD1-CG 3.78Å; L333-F373 HydrophobicContact CD1-CZ 4.19Å; L333-F373 HydrophobicContact CD2-CB 3.96Å; L333-F373 HydrophobicContact CD2-CD1 3.66Å; L333-F373 HydrophobicContact CD2-CE1 4.35Å; L333-F373 HydrophobicContact CD2-CG 3.85Å; L333-F373 HydrophobicContact CG-CD1 4.1Å; L333-F373 HydrophobicContact CG-CE1 4.35Å; L333-F373 HydrophobicContact CG-CG 4.33Å
334L97.9Very high98.2Very high1 Ų118.4 Ų18.41%0.0058%0.083CC..BIsolated β-bridgetrans-81.6138.6-168.7-57.3174.2000113.2H293 G332 K336 H342 N347H293-L334 WeakPolarHBondContact CD2-CD1 3.49Å; G332-L334 PolarHBondContact O-N 3.18Å; G332-L334 VanDerWaalsContact O-N 3.1Å; L334-K336 PolarHBondContact O-N 3.17Å; L334-H342 WeakPolarHBondContact CD1-O 3.09Å; L334-N347 WeakPolarHBondContact CD1-ND2 3.46Å
335R97.1Very high98.2Very high52 Ų5218.4 Ų18.420%0.1968%0.083CC..THydrogen-bonded Turntrans-71.9-14173.7-66.4-172.7-178.5-89.9-4.1113.6V2 R3 Y4 F5 G337 R384V2-R335 VanDerWaalsContact O-CD 3.27Å; V2-R335 WeakPolarHBondContact O-CD 3.38Å; V2-R335 PolarHBondContact O-NE 2.99Å; R3-R335 WeakPolarHBondContact O-CB 3.05Å; R3-R335 PolarHBondContact O-N 3.49Å; Y4-R335 PolarHBondContact O-NE 2.77Å; Y4-R335 VanDerWaalsContact O-NE 3.09Å; F5-R335 HydrophobicContact CD1-CG 4.37Å; F5-R335 HydrophobicContact CD2-CG 3.81Å; F5-R335 HydrophobicContact CE1-CG 4.19Å; F5-R335 HydrophobicContact CE2-CB 4.14Å; F5-R335 HydrophobicContact CE2-CG 3.62Å; F5-R335 HydrophobicContact CG-CG 4.19Å; F5-R335 HydrophobicContact CZ-CB 4.46Å; F5-R335 HydrophobicContact CZ-CG 3.83Å; R335-G337 PolarHBondContact O-N 3.17Å; R335-R384 VanDerWaalsContact O-CB 3.31Å; R335-R384 WeakPolarHBondContact O-CB 3.12Å; R335-R384 WeakPolarHBondContact O-CG 3.28Å; R335-R384 PolarHBondContact O-N 3.31Å
336K96.6Very high98.2Very high70 Ų7018.4 Ų18.430%0.3048%0.083SC..THydrogen-bonded Turntrans-75.9-13.3-173.8-166.7166.4175.1-156.50113.6L334 H342L334-K336 PolarHBondContact O-N 3.17Å; K336-H342 WeakPolarHBondContact CB-O 3.48Å; K336-H342 HydrophobicContact CD-CB 4.32Å; K336-H342 WeakPolarHBondContact CD-CD2 3.34Å; K336-H342 WeakPolarHBondContact CE-CD2 3.12Å; K336-H342 WeakPolarHBondContact CE-NE2 3.25Å; K336-H342 PolarHBondContact NZ-CD2 2.91Å; K336-H342 VanDerWaalsContact NZ-CD2 3.27Å; K336-H342 PolarHBondContact NZ-CE1 3.25Å; K336-H342 PolarHBondContact NZ-ND1 2.72Å; K336-H342 PolarHBondContact NZ-NE2 2.99Å
337G97.6Very high98.2Very high0 Ų015.7 Ų15.70%07%0.068CC..  trans130.4-163.4170.900000113.4R335 G343 V344R335-G337 PolarHBondContact O-N 3.17Å; G337-G343 CarbonylContact O-C 3.6Å; G337-G343 WeakPolarHBondContact O-CA 3.37Å; G337-V344 PolarHBondContact O-N 3.41Å
338P98.3Very high98.2Very high13 Ų1315.5 Ų15.58%0.0847%0.067CC..SBendtrans-94.3-1.9-167.637.2-36.3000113.8S345 M374 F379 L396 A399P338-S345 WeakPolarHBondContact O-CB 3.25Å; P338-S345 PolarHBondContact O-OG 3.44Å; P338-M374 HydrophobicContact CB-SD 3.69Å; P338-F379 HydrophobicContact CB-CE1 4.32Å; P338-F379 HydrophobicContact CB-CZ 3.97Å; P338-L396 HydrophobicContact CB-CD2 4.44Å; P338-L396 HydrophobicContact CG-CD2 3.66Å; P338-L396 HydrophobicContact CG-CG 4.44Å; P338-A399 HydrophobicContact CB-CB 4.01Å
339G98.6Very high98.2Very high0 Ų015.6 Ų15.60%07%0.068CC..  trans-64.3176.2-175.100000115.8G343 S345 G346 E394 G395G339-G343 CarbonylContact O-C 3.58Å; G339-G343 WeakPolarHBondContact O-CA 3.41Å; G339-G343 PolarHBondContact O-N 3.41Å; G339-S345 PolarHBondContact O-N 3.5Å; G339-G346 PolarHBondContact O-N 3.27Å; G339-E394 VanDerWaalsContact CA-C 3.47Å; G339-E394 WeakPolarHBondContact CA-O 3.36Å; G339-E394 PolarHBondContact N-O 3.46Å; G339-G395 WeakPolarHBondContact CA-O 3.34Å
340I98.7Very high98.2Very high0 Ų014.7 Ų14.70%06%0.064CC..THydrogen-bonded Turntrans-94.7-16.4-17962175.2000114.7W294 G346 Y349 L392 F393 F415 P416W294-I340 WeakPolarHBondContact CB-O 3.32Å; I340-G346 VanDerWaalsContact O-CA 3.25Å; I340-G346 WeakPolarHBondContact O-CA 3.32Å; I340-Y349 HydrophobicContact CG2-CD2 4.26Å; I340-Y349 HydrophobicContact CG2-CE2 3.95Å; I340-L392 HydrophobicContact CD1-CD1 3.89Å; I340-L392 HydrophobicContact CD1-CG 3.98Å; I340-L392 WeakPolarHBondContact CG1-O 3.41Å; I340-F393 HydrophobicContact CD1-CD1 4.2Å; I340-F393 HydrophobicContact CD1-CD2 4.32Å; I340-F393 HydrophobicContact CD1-CE1 4.22Å; I340-F393 HydrophobicContact CD1-CE2 4.37Å; I340-F393 HydrophobicContact CD1-CG 4.27Å; I340-F393 HydrophobicContact CD1-CZ 4.31Å; I340-F393 HydrophobicContact CG1-CB 4.46Å; I340-F393 HydrophobicContact CG1-CD1 4.05Å; I340-F393 HydrophobicContact CG1-CE1 4.49Å; I340-F393 HydrophobicContact CG1-CG 4.15Å; I340-F393 PolarHBondContact N-O 2.95Å; I340-F415 HydrophobicContact CB-CE1 4.46Å; I340-F415 HydrophobicContact CB-CE2 4.16Å; I340-F415 HydrophobicContact CB-CZ 3.83Å; I340-F415 HydrophobicContact CD1-CE1 3.88Å; I340-F415 HydrophobicContact CD1-CZ 4.11Å; I340-F415 HydrophobicContact CG1-CE1 4.38Å; I340-F415 HydrophobicContact CG1-CZ 4.11Å; I340-F415 WeakPolarHBondContact O-CZ 3.36Å; I340-P416 HydrophobicContact CD1-CB 3.68Å; I340-P416 HydrophobicContact CD1-CG 3.81Å
341C98.8Very high98.3Very high0 Ų08.1 Ų8.10%04%0.036CC..THydrogen-bonded Turntrans-80.1-47.9179.9-1780000112.6Y54 W294 C295 F393Y54-C341 HydrophobicContact CE2-CB 4.19Å; Y54-C341 PolarHBondContact OH-SG 3.02Å; W294-C341 WeakPolarHBondContact CA-O 3.33Å; W294-C341 VanDerWaalsContact CB-O 3.27Å; W294-C341 WeakPolarHBondContact CB-O 3.5Å; W294-C341 HydrophobicContact CE3-CB 4.16Å; W294-C341 PolarHBondContact N-O 3.21Å; C295-C341 VanDerWaalsContact CB-SG 3.56Å; C295-C341 PolarHBondContact N-O 2.82Å; C295-C341 VanDerWaalsContact SG-SG 3.62Å; C341-F393 HydrophobicContact CB-CB 4.02Å; C341-F393 HydrophobicContact CB-CD1 4.04Å; C341-F393 VanDerWaalsContact CB-O 3.25Å; C341-F393 WeakPolarHBondContact CB-O 3.13Å; C341-F393 PolarHBondContact N-O 3.29Å
342H97.8Very high98.4Very high8 Ų87.1 Ų7.14%0.0373%0.031CC..THydrogen-bonded Turntrans-150.136.5-175.246.5-107.6000109.7H293 L334 K336 E394H293-H342 HydrophobicContact CB-CB 3.78Å; H293-H342 VanDerWaalsContact CG-CB 3.47Å; H293-H342 WeakPolarHBondContact ND1-CB 3.28Å; L334-H342 WeakPolarHBondContact CD1-O 3.09Å; K336-H342 WeakPolarHBondContact CB-O 3.48Å; K336-H342 HydrophobicContact CD-CB 4.32Å; K336-H342 WeakPolarHBondContact CD-CD2 3.34Å; K336-H342 WeakPolarHBondContact CE-CD2 3.12Å; K336-H342 WeakPolarHBondContact CE-NE2 3.25Å; K336-H342 PolarHBondContact NZ-CD2 2.91Å; K336-H342 VanDerWaalsContact NZ-CD2 3.27Å; K336-H342 PolarHBondContact NZ-CE1 3.25Å; K336-H342 PolarHBondContact NZ-ND1 2.72Å; K336-H342 PolarHBondContact NZ-NE2 2.99Å; H342-E394 IonicContact CE1-OE1 2.9Å
343G98.3Very high98.4Very high1 Ų17.3 Ų7.31%0.013%0.033CC..SBendtrans-127.5175176.200000111.5G337 G339 S345 G346G337-G343 CarbonylContact O-C 3.6Å; G337-G343 WeakPolarHBondContact O-CA 3.37Å; G339-G343 CarbonylContact O-C 3.58Å; G339-G343 WeakPolarHBondContact O-CA 3.41Å; G339-G343 PolarHBondContact O-N 3.41Å; G343-S345 PolarHBondContact O-N 3.26Å; G343-G346 PolarHBondContact O-N 3.48Å
344V98.8Very high98.5Very high0 Ų07.3 Ų7.30%03%0.033CC..Hα-helixtrans-56.9-38-174.7-1790000111.8L333 G337 G346 N347 A348 F370 F373 M374 F379L333-V344 HydrophobicContact CD2-CG1 3.99Å; G337-V344 PolarHBondContact O-N 3.41Å; V344-G346 PolarHBondContact O-N 3.15Å; V344-N347 PolarHBondContact O-N 3.25Å; V344-A348 PolarHBondContact O-N 2.72Å; V344-F370 HydrophobicContact CG1-CB 4Å; V344-F370 HydrophobicContact CG1-CD1 3.76Å; V344-F370 HydrophobicContact CG1-CG 4.19Å; V344-F373 HydrophobicContact CG2-CD1 4.49Å; V344-M374 HydrophobicContact CB-CG 3.86Å; V344-M374 HydrophobicContact CB-SD 3.92Å; V344-M374 HydrophobicContact CG1-CG 3.81Å; V344-M374 HydrophobicContact CG1-SD 4.18Å; V344-M374 HydrophobicContact CG2-CG 4.3Å; V344-F379 HydrophobicContact CG2-CD2 4.35Å; V344-F379 HydrophobicContact CG2-CE2 3.72Å; V344-F379 HydrophobicContact CG2-CZ 4.48Å
345S98.9Very high98.5Very high0 Ų09 Ų90%04%0.039CC..Hα-helixtrans-66.3-39-175.2-58.40000113.3P338 G339 G343 N347 A348 Y349 M374 A399P338-S345 WeakPolarHBondContact O-CB 3.25Å; P338-S345 PolarHBondContact O-OG 3.44Å; G339-S345 PolarHBondContact O-N 3.5Å; G343-S345 PolarHBondContact O-N 3.26Å; S345-N347 VanDerWaalsContact C-N 3.26Å; S345-N347 PolarHBondContact O-N 2.8Å; S345-A348 WeakPolarHBondContact O-CB 3.41Å; S345-A348 PolarHBondContact O-N 3.22Å; S345-Y349 WeakPolarHBondContact O-CD2 3.4Å; S345-Y349 PolarHBondContact O-N 3.2Å; S345-M374 WeakPolarHBondContact OG-CE 3.27Å; S345-M374 PolarHBondContact OG-SD 3.42Å; S345-A399 VanDerWaalsContact OG-CA 3.3Å; S345-A399 WeakPolarHBondContact OG-CA 3.15Å
346G98.8Very high98.6Very high0 Ų08.8 Ų8.80%04%0.04CC..Hα-helixtrans-62.2-39.117900000112G339 I340 G343 V344 Y349G339-G346 PolarHBondContact O-N 3.27Å; I340-G346 VanDerWaalsContact O-CA 3.25Å; I340-G346 WeakPolarHBondContact O-CA 3.32Å; G343-G346 PolarHBondContact O-N 3.48Å; V344-G346 PolarHBondContact O-N 3.15Å; G346-Y349 PolarHBondContact O-N 3.28Å
347N98.9Very high98.7Very high1 Ų17 Ų71%0.0053%0.034CC..Hα-helixtrans-69-39176.6-75.32.4000111.8V292 P299 I328 G332 L334 V344 S345 Y349 V350 F370V292-N347 PolarHBondContact O-ND2 3.42Å; V292-N347 PolarHBondContact O-OD1 2.87Å; P299-N347 VanDerWaalsContact CB-OD1 3.25Å; P299-N347 WeakPolarHBondContact CB-OD1 3.31Å; P299-N347 WeakPolarHBondContact CG-OD1 3.29Å; I328-N347 HydrophobicContact CG2-CB 3.68Å; G332-N347 WeakPolarHBondContact CA-ND2 3.37Å; G332-N347 PolarHBondContact O-ND2 3.14Å; L334-N347 WeakPolarHBondContact CD1-ND2 3.46Å; V344-N347 PolarHBondContact O-N 3.25Å; S345-N347 VanDerWaalsContact C-N 3.26Å; S345-N347 PolarHBondContact O-N 2.8Å; N347-Y349 VanDerWaalsContact C-N 3.28Å; N347-Y349 PolarHBondContact O-N 2.96Å; N347-V350 WeakPolarHBondContact O-CB 3.49Å; N347-V350 PolarHBondContact O-N 3.4Å; N347-V350 VanDerWaalsContact O-N 3.13Å; N347-F370 HydrophobicContact CB-CD1 4.33Å; N347-F370 HydrophobicContact CB-CE1 3.94Å
348A98.9Very high98.7Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-61-34.7175.900000113V344 S345 V350 F351 L352 F370 L402V344-A348 PolarHBondContact O-N 2.72Å; S345-A348 WeakPolarHBondContact O-CB 3.41Å; S345-A348 PolarHBondContact O-N 3.22Å; A348-V350 PolarHBondContact O-N 3.44Å; A348-F351 WeakPolarHBondContact O-CB 3.36Å; A348-F351 PolarHBondContact O-N 2.93Å; A348-F351 VanDerWaalsContact O-N 3.11Å; A348-L352 PolarHBondContact O-N 3.49Å; A348-F370 HydrophobicContact CB-CB 3.84Å; A348-F370 HydrophobicContact CB-CD1 4.18Å; A348-F370 HydrophobicContact CB-CG 4.37Å; A348-L402 HydrophobicContact CB-CD1 4.01Å; A348-L402 HydrophobicContact CB-CD2 3.68Å
349Y98.9Very high98.6Very high1 Ų110.3 Ų10.30%0.0046%0.063CC..Hα-helixtrans-61.5-27.8176-85.1-73.7000113.6I340 S345 G346 N347 F351 L352 V353 C401 L402 D405 E414 F415 P416I340-Y349 HydrophobicContact CG2-CD2 4.26Å; I340-Y349 HydrophobicContact CG2-CE2 3.95Å; S345-Y349 WeakPolarHBondContact O-CD2 3.4Å; S345-Y349 PolarHBondContact O-N 3.2Å; G346-Y349 PolarHBondContact O-N 3.28Å; N347-Y349 VanDerWaalsContact C-N 3.28Å; N347-Y349 PolarHBondContact O-N 2.96Å; Y349-F351 VanDerWaalsContact C-N 3.29Å; Y349-F351 PolarHBondContact O-N 3.46Å; Y349-L352 HydrophobicContact CD1-CD1 3.95Å; Y349-L352 HydrophobicContact CE1-CD1 4.23Å; Y349-L352 PolarHBondContact O-N 2.86Å; Y349-V353 WeakPolarHBondContact O-CG2 3.43Å; Y349-V353 PolarHBondContact O-N 2.95Å; Y349-C401 WeakPolarHBondContact OH-CB 3.44Å; Y349-C401 PolarHBondContact OH-O 3.19Å; Y349-L402 HydrophobicContact CD2-CD1 4.25Å; Y349-L402 HydrophobicContact CE1-CD1 4.41Å; Y349-L402 HydrophobicContact CE2-CB 3.97Å; Y349-L402 HydrophobicContact CE2-CD1 4.07Å; Y349-L402 HydrophobicContact CG-CD1 4.48Å; Y349-L402 WeakPolarHBondContact OH-CA 3.41Å; Y349-L402 PolarHBondContact OH-N 3.27Å; Y349-L402 VanDerWaalsContact OH-N 3.1Å; Y349-D405 WeakPolarHBondContact CE1-OD2 3.38Å; Y349-D405 PolarHBondContact OH-OD2 3Å; Y349-E414 VanDerWaalsContact CE1-O 3.29Å; Y349-E414 WeakPolarHBondContact CE1-O 3.41Å; Y349-F415 HydrophobicContact CD1-CB 4.34Å; Y349-F415 AromaticContact CD2-CD2 3.99Å; Y349-F415 HydrophobicContact CD2-CD2 3.99Å; Y349-F415 HydrophobicContact CD2-CE2 4.49Å; Y349-F415 HydrophobicContact CG-CB 4.3Å; Y349-F415 AromaticContact CG-CD2 3.91Å; Y349-F415 HydrophobicContact CG-CD2 3.91Å; Y349-F415 HydrophobicContact CG-CG 4.44Å; Y349-P416 HydrophobicContact CE2-CG 4.45Å
350V98.9Very high98.6Very high1 Ų113.1 Ų13.11%0.0068%0.076CC..Hα-helixtrans-64.2-38.9175.8177.70000110.7P299 A302 L303 L321 I328 N347 A348 V353 L354P299-V350 HydrophobicContact CB-CG2 4.09Å; A302-V350 HydrophobicContact CB-CG1 3.61Å; A302-V350 HydrophobicContact CB-CG2 4.11Å; L303-V350 HydrophobicContact CD2-CG2 4.35Å; L321-V350 HydrophobicContact CD1-CG1 4.35Å; I328-V350 HydrophobicContact CD1-CB 3.82Å; I328-V350 HydrophobicContact CD1-CG1 3.7Å; I328-V350 HydrophobicContact CD1-CG2 3.81Å; N347-V350 WeakPolarHBondContact O-CB 3.49Å; N347-V350 PolarHBondContact O-N 3.4Å; N347-V350 VanDerWaalsContact O-N 3.13Å; A348-V350 PolarHBondContact O-N 3.44Å; V350-V353 PolarHBondContact O-N 3.03Å; V350-L354 HydrophobicContact CG1-CD1 4.23Å; V350-L354 WeakPolarHBondContact O-CB 3.48Å; V350-L354 PolarHBondContact O-N 3.04Å
351F98.9Very high98.5Very high0 Ų014.4 Ų14.40%09%0.087CC..Hα-helixtrans-66-39.2173.9-57.6-49.2000112.2G325 I328 W329 A348 Y349 V353 L354 Y355 Y363 R366 A367 F370G325-F351 VanDerWaalsContact O-CE1 3.31Å; G325-F351 WeakPolarHBondContact O-CE1 3.42Å; I328-F351 HydrophobicContact CB-CE1 4.37Å; I328-F351 HydrophobicContact CB-CZ 4.07Å; I328-F351 HydrophobicContact CG2-CE1 4.24Å; I328-F351 HydrophobicContact CG2-CE2 3.97Å; I328-F351 HydrophobicContact CG2-CZ 3.58Å; W329-F351 HydrophobicContact CB-CE1 4.43Å; W329-F351 HydrophobicContact CB-CZ 4.15Å; W329-F351 HydrophobicContact CE3-CZ 4.31Å; A348-F351 WeakPolarHBondContact O-CB 3.36Å; A348-F351 PolarHBondContact O-N 2.93Å; A348-F351 VanDerWaalsContact O-N 3.11Å; Y349-F351 VanDerWaalsContact C-N 3.29Å; Y349-F351 PolarHBondContact O-N 3.46Å; F351-V353 VanDerWaalsContact C-N 3.31Å; F351-V353 PolarHBondContact O-N 3.5Å; F351-L354 PolarHBondContact O-N 3.02Å; F351-Y355 WeakPolarHBondContact O-CB 3.27Å; F351-Y355 PolarHBondContact O-N 2.85Å; F351-Y363 WeakPolarHBondContact CB-O 3.43Å; F351-Y363 HydrophobicContact CD1-CD1 4.24Å; F351-Y363 WeakPolarHBondContact O-CB 3.45Å; F351-R366 HydrophobicContact CB-CB 4.43Å; F351-R366 HydrophobicContact CD1-CB 3.91Å; F351-R366 HydrophobicContact CD2-CB 3.68Å; F351-R366 HydrophobicContact CE1-CB 3.99Å; F351-R366 HydrophobicContact CE1-CG 4.42Å; F351-R366 HydrophobicContact CE2-CB 3.77Å; F351-R366 HydrophobicContact CG-CB 3.76Å; F351-R366 HydrophobicContact CZ-CB 3.92Å; F351-A367 HydrophobicContact CB-CB 4.03Å; F351-F370 HydrophobicContact CE2-CD1 4.02Å; F351-F370 AromaticContact CE2-CD2 3.82Å; F351-F370 HydrophobicContact CE2-CD2 3.82Å; F351-F370 AromaticContact CE2-CE1 3.82Å; F351-F370 HydrophobicContact CE2-CE1 3.82Å; F351-F370 AromaticContact CE2-CE2 3.64Å; F351-F370 HydrophobicContact CE2-CE2 3.64Å; F351-F370 HydrophobicContact CE2-CG 4.05Å; F351-F370 AromaticContact CE2-CZ 3.65Å; F351-F370 HydrophobicContact CE2-CZ 3.65Å; F351-F370 HydrophobicContact CZ-CE2 4.17Å; F351-F370 HydrophobicContact CZ-CZ 4.05Å
352L98.9Very high98.5Very high0 Ų017.2 Ų17.20%010%0.099CC..Hα-helixtrans-63.2-37.4175.2-69.2174.8000112.5A348 Y349 Q356 L364 A367 L402 L406 P410 S413A348-L352 PolarHBondContact O-N 3.49Å; Y349-L352 HydrophobicContact CD1-CD1 3.95Å; Y349-L352 HydrophobicContact CE1-CD1 4.23Å; Y349-L352 PolarHBondContact O-N 2.86Å; L352-Q356 WeakPolarHBondContact O-CB 3.38Å; L352-Q356 VanDerWaalsContact O-CG 3.31Å; L352-Q356 WeakPolarHBondContact O-CG 3.28Å; L352-Q356 PolarHBondContact O-N 3.38Å; L352-Q356 PolarHBondContact O-NE2 2.69Å; L352-L364 HydrophobicContact CD2-CD1 4.45Å; L352-A367 HydrophobicContact CD2-CB 3.87Å; L352-A367 HydrophobicContact CG-CB 4.01Å; L352-L402 HydrophobicContact CD1-CD1 3.64Å; L352-L406 HydrophobicContact CD1-CD2 4.21Å; L352-L406 HydrophobicContact CD2-CD2 3.86Å; L352-P410 HydrophobicContact CD2-CB 3.99Å; L352-S413 WeakPolarHBondContact CB-OG 3.38Å
353V98.9Very high98.5Very high5 Ų516.9 Ų16.93%0.0310%0.097CC..Hα-helixtrans-67.5-45.1173.8169.20000111.3L303 A306 Y349 V350 F351 Y355 Q356 I357 I420 F421L303-V353 HydrophobicContact CD2-CB 4.46Å; L303-V353 HydrophobicContact CD2-CG2 3.86Å; A306-V353 HydrophobicContact CB-CG1 3.42Å; A306-V353 VanDerWaalsContact CB-CG1 3.42Å; Y349-V353 WeakPolarHBondContact O-CG2 3.43Å; Y349-V353 PolarHBondContact O-N 2.95Å; V350-V353 PolarHBondContact O-N 3.03Å; F351-V353 VanDerWaalsContact C-N 3.31Å; F351-V353 PolarHBondContact O-N 3.5Å; V353-Y355 VanDerWaalsContact C-N 3.33Å; V353-Y355 PolarHBondContact O-N 3.18Å; V353-Q356 PolarHBondContact O-N 3.35Å; V353-I357 HydrophobicContact CG1-CD1 3.99Å; V353-I357 WeakPolarHBondContact O-CG1 3.42Å; V353-I357 PolarHBondContact O-N 3.27Å; V353-I420 HydrophobicContact CG1-CG2 4.44Å; V353-I420 HydrophobicContact CG2-CG1 4.28Å; V353-F421 HydrophobicContact CG1-CE2 4.5Å; V353-F421 HydrophobicContact CG1-CZ 4.2Å; V353-F421 HydrophobicContact CG2-CE2 4.36Å
354L98.9Very high98.5Very high0 Ų017.8 Ų17.80%010%0.102CC..Hα-helixtrans-59.3-42.8174.5-90162.4000111.9L318 L321 R322 V350 F351 I357 T358 Y363L318-L354 HydrophobicContact CD1-CD2 4.44Å; L321-L354 HydrophobicContact CD1-CD2 4.49Å; L321-L354 HydrophobicContact CD1-CG 4.24Å; L321-L354 HydrophobicContact CD2-CD2 3.93Å; L321-L354 HydrophobicContact CD2-CG 4.25Å; L321-L354 HydrophobicContact CG-CD1 4.49Å; L321-L354 HydrophobicContact CG-CD2 3.67Å; L321-L354 HydrophobicContact CG-CG 3.94Å; R322-L354 HydrophobicContact CG-CD2 4.15Å; V350-L354 HydrophobicContact CG1-CD1 4.23Å; V350-L354 WeakPolarHBondContact O-CB 3.48Å; V350-L354 PolarHBondContact O-N 3.04Å; F351-L354 PolarHBondContact O-N 3.02Å; L354-I357 PolarHBondContact O-N 3.17Å; L354-T358 HydrophobicContact CD2-CG2 4.49Å; L354-T358 WeakPolarHBondContact O-CB 3.25Å; L354-T358 WeakPolarHBondContact O-CG2 3.3Å; L354-T358 PolarHBondContact O-N 2.93Å; L354-T358 PolarHBondContact O-OG1 3.21Å; L354-Y363 HydrophobicContact CB-CD1 3.84Å; L354-Y363 HydrophobicContact CB-CD2 3.74Å; L354-Y363 HydrophobicContact CB-CE1 4.15Å; L354-Y363 HydrophobicContact CB-CE2 4.02Å; L354-Y363 HydrophobicContact CB-CG 3.64Å; L354-Y363 HydrophobicContact CD1-CD1 3.88Å; L354-Y363 HydrophobicContact CD1-CE1 3.63Å; L354-Y363 HydrophobicContact CD2-CE1 4.29Å; L354-Y363 HydrophobicContact CD2-CE2 4.01Å; L354-Y363 HydrophobicContact CG-CD1 4.38Å; L354-Y363 HydrophobicContact CG-CE1 4.25Å; L354-Y363 HydrophobicContact CG-CE2 4.48Å
355Y98.7Very high98.5Very high37 Ų3718.4 Ų18.415%0.14510%0.104CC..Hα-helixtrans-62.9-44174.9174.3-116.1000111.9F351 V353 I357 T358 G359 L364 P410 K411F351-Y355 WeakPolarHBondContact O-CB 3.27Å; F351-Y355 PolarHBondContact O-N 2.85Å; V353-Y355 VanDerWaalsContact C-N 3.33Å; V353-Y355 PolarHBondContact O-N 3.18Å; Y355-I357 VanDerWaalsContact C-N 3.27Å; Y355-I357 PolarHBondContact O-N 3.32Å; Y355-T358 PolarHBondContact O-N 3.03Å; Y355-G359 WeakPolarHBondContact O-CA 3.43Å; Y355-G359 PolarHBondContact O-N 3.43Å; Y355-L364 HydrophobicContact CD1-CD1 4.24Å; Y355-L364 HydrophobicContact CD2-CB 4.01Å; Y355-L364 HydrophobicContact CE1-CD1 4.29Å; Y355-L364 HydrophobicContact CE1-CD2 4.33Å; Y355-L364 HydrophobicContact CE2-CB 4.22Å; Y355-L364 HydrophobicContact CE2-CD2 4.39Å; Y355-L364 HydrophobicContact CG-CB 4.17Å; Y355-P410 HydrophobicContact CD1-CB 4.32Å; Y355-P410 HydrophobicContact CE1-CB 4.15Å; Y355-K411 HydrophobicContact CE1-CG 3.75Å
356Q98.7Very high98.5Very high47 Ų4718.8 Ų18.822%0.2211%0.106CC..Hα-helixtrans-60.5-35.9176.2-79.9178.27700112.8L352 V353 K411 S413 F421L352-Q356 WeakPolarHBondContact O-CB 3.38Å; L352-Q356 VanDerWaalsContact O-CG 3.31Å; L352-Q356 WeakPolarHBondContact O-CG 3.28Å; L352-Q356 PolarHBondContact O-N 3.38Å; L352-Q356 PolarHBondContact O-NE2 2.69Å; V353-Q356 PolarHBondContact O-N 3.35Å; Q356-K411 PolarHBondContact OE1-O 3.36Å; Q356-S413 PolarHBondContact NE2-O 2.69Å; Q356-S413 PolarHBondContact NE2-OG 3.29Å; Q356-F421 HydrophobicContact CB-CE1 4.17Å; Q356-F421 HydrophobicContact CB-CE2 3.8Å; Q356-F421 HydrophobicContact CB-CZ 3.44Å; Q356-F421 VanDerWaalsContact CB-CZ 3.44Å; Q356-F421 HydrophobicContact CG-CE2 4.21Å; Q356-F421 HydrophobicContact CG-CZ 4.34Å
357I98.7Very high98.5Very high33 Ų3318.8 Ų18.817%0.16911%0.106CC..Hα-helixtrans-78.9-43.2179.3-69.9169.3000112.1A306 Y309 L318 L321 V353 L354 Y355 F421A306-I357 HydrophobicContact CB-CD1 3.82Å; Y309-I357 HydrophobicContact CD1-CD1 4.37Å; Y309-I357 HydrophobicContact CD1-CG2 3.92Å; Y309-I357 HydrophobicContact CE1-CG2 3.6Å; L318-I357 HydrophobicContact CD1-CG2 3.91Å; L321-I357 HydrophobicContact CD2-CD1 3.94Å; V353-I357 HydrophobicContact CG1-CD1 3.99Å; V353-I357 WeakPolarHBondContact O-CG1 3.42Å; V353-I357 PolarHBondContact O-N 3.27Å; L354-I357 PolarHBondContact O-N 3.17Å; Y355-I357 VanDerWaalsContact C-N 3.27Å; Y355-I357 PolarHBondContact O-N 3.32Å; I357-F421 HydrophobicContact CD1-CE1 4.49Å; I357-F421 HydrophobicContact CD1-CZ 4.44Å; I357-F421 HydrophobicContact CG1-CE1 3.84Å; I357-F421 HydrophobicContact CG1-CZ 3.96Å
358T98.2Very high98.5Very high36 Ų3618.7 Ų18.722%0.22111%0.105CC..Hα-helixtrans-103.4-25.6-166.264.10000114.1L318 L354 Y355 E360 Y363L318-T358 HydrophobicContact CD1-CG2 4.02Å; L354-T358 HydrophobicContact CD2-CG2 4.49Å; L354-T358 WeakPolarHBondContact O-CB 3.25Å; L354-T358 WeakPolarHBondContact O-CG2 3.3Å; L354-T358 PolarHBondContact O-N 2.93Å; L354-T358 PolarHBondContact O-OG1 3.21Å; Y355-T358 PolarHBondContact O-N 3.03Å; T358-E360 VanDerWaalsContact CB-OE1 3.29Å; T358-E360 WeakPolarHBondContact CB-OE1 3.39Å; T358-E360 PolarHBondContact O-N 2.93Å; T358-E360 PolarHBondContact OG1-N 3.39Å; T358-Y363 HydrophobicContact CG2-CE2 4.21Å; T358-Y363 WeakPolarHBondContact OG1-CD2 3.34Å; T358-Y363 WeakPolarHBondContact OG1-CE2 3.39Å
359G96.8Very high98.4Very high46 Ų4618.7 Ų18.747%0.47411%0.105SC..  trans70.13.8-171.300000115Y355 A361Y355-G359 WeakPolarHBondContact O-CA 3.43Å; Y355-G359 PolarHBondContact O-N 3.43Å; G359-A361 PolarHBondContact O-N 2.97Å
360E97.8Very high98.4Very high60 Ų6018.7 Ų18.728%0.2811%0.105SC..  trans-74124.9-176.6-73.4167.1-102.400112.1R322 T358 K362 Y363R322-E360 IonicContact CZ-OE1 2.78Å; R322-E360 IonicContact NH1-OE1 2.72Å; R322-E360 PolarHBondContact NH1-OE1 2.94Å; R322-E360 IonicContact NH1-OE2 2.7Å; R322-E360 PolarHBondContact NH1-OE2 3.42Å; R322-E360 IonicContact NH2-OE1 3.42Å; R322-E360 PolarHBondContact NH2-OE1 3.03Å; T358-E360 VanDerWaalsContact CB-OE1 3.29Å; T358-E360 WeakPolarHBondContact CB-OE1 3.39Å; T358-E360 PolarHBondContact O-N 2.93Å; T358-E360 PolarHBondContact OG1-N 3.39Å; E360-K362 HydrophobicContact CB-CG 4.22Å; E360-K362 PolarHBondContact O-N 2.8Å; E360-K362 VanDerWaalsContact O-N 3.13Å; E360-K362 WeakPolarHBondContact OE2-CE 3.27Å; E360-K362 IonicContact OE2-NZ 2.98Å; E360-K362 PolarHBondContact OE2-NZ 2.89Å; E360-Y363 HydrophobicContact CB-CD2 3.9Å; E360-Y363 HydrophobicContact CB-CE2 4.13Å; E360-Y363 PolarHBondContact O-N 2.77Å; E360-Y363 VanDerWaalsContact O-N 3.12Å
361A96.8Very high98.4Very high26 Ų2618.6 Ų18.622%0.21511%0.105CC..Hα-helixtrans-56.4-31.3-178.200000113.4P15 A18 G359 Y363 L364 Y365P15-A361 HydrophobicContact CB-CB 3.79Å; P15-A361 HydrophobicContact CG-CB 4.35Å; A18-A361 HydrophobicContact CB-CB 4.23Å; G359-A361 PolarHBondContact O-N 2.97Å; A361-Y363 PolarHBondContact O-N 3.46Å; A361-L364 WeakPolarHBondContact O-CB 3.5Å; A361-L364 PolarHBondContact O-N 3.39Å; A361-Y365 PolarHBondContact O-N 3.09Å
362K98.1Very high98.4Very high59 Ų5919.8 Ų19.826%0.25711%0.11SC..Hα-helixtrans-54.6-38.2177.878.4-170.2-171.6-160.50112.9C12 E360 Y365 R366C12-K362 HydrophobicContact CB-CB 3.99Å; E360-K362 HydrophobicContact CB-CG 4.22Å; E360-K362 PolarHBondContact O-N 2.8Å; E360-K362 VanDerWaalsContact O-N 3.13Å; E360-K362 WeakPolarHBondContact OE2-CE 3.27Å; E360-K362 IonicContact OE2-NZ 2.98Å; E360-K362 PolarHBondContact OE2-NZ 2.89Å; K362-Y365 WeakPolarHBondContact O-CB 2.96Å; K362-Y365 PolarHBondContact O-N 3.37Å; K362-R366 VanDerWaalsContact O-CG 3.25Å; K362-R366 WeakPolarHBondContact O-CG 3.32Å; K362-R366 PolarHBondContact O-N 3.29Å
363Y98.7Very high98.4Very high1 Ų119.9 Ų19.90%0.00411%0.111CC..Hα-helixtrans-74.1-33.9-179.6-63-55.5000111.5R322 F351 L354 T358 E360 A361 R366 A367R322-Y363 WeakPolarHBondContact CG-OH 3.42Å; R322-Y363 PolarHBondContact NH1-OH 3.37Å; F351-Y363 WeakPolarHBondContact CB-O 3.43Å; F351-Y363 HydrophobicContact CD1-CD1 4.24Å; F351-Y363 WeakPolarHBondContact O-CB 3.45Å; L354-Y363 HydrophobicContact CB-CD1 3.84Å; L354-Y363 HydrophobicContact CB-CD2 3.74Å; L354-Y363 HydrophobicContact CB-CE1 4.15Å; L354-Y363 HydrophobicContact CB-CE2 4.02Å; L354-Y363 HydrophobicContact CB-CG 3.64Å; L354-Y363 HydrophobicContact CD1-CD1 3.88Å; L354-Y363 HydrophobicContact CD1-CE1 3.63Å; L354-Y363 HydrophobicContact CD2-CE1 4.29Å; L354-Y363 HydrophobicContact CD2-CE2 4.01Å; L354-Y363 HydrophobicContact CG-CD1 4.38Å; L354-Y363 HydrophobicContact CG-CE1 4.25Å; L354-Y363 HydrophobicContact CG-CE2 4.48Å; T358-Y363 HydrophobicContact CG2-CE2 4.21Å; T358-Y363 WeakPolarHBondContact OG1-CD2 3.34Å; T358-Y363 WeakPolarHBondContact OG1-CE2 3.39Å; E360-Y363 HydrophobicContact CB-CD2 3.9Å; E360-Y363 HydrophobicContact CB-CE2 4.13Å; E360-Y363 PolarHBondContact O-N 2.77Å; E360-Y363 VanDerWaalsContact O-N 3.12Å; A361-Y363 PolarHBondContact O-N 3.46Å; Y363-R366 PolarHBondContact O-N 3.01Å; Y363-A367 PolarHBondContact O-N 3.33Å
364L98.1Very high98.3Very high20 Ų2020.1 Ų20.111%0.10511%0.112CC..Hα-helixtrans-66.2-43.9172.9-172.761.4000111.2L352 Y355 A361 R366 A367 F368 P410L352-L364 HydrophobicContact CD2-CD1 4.45Å; Y355-L364 HydrophobicContact CD1-CD1 4.24Å; Y355-L364 HydrophobicContact CD2-CB 4.01Å; Y355-L364 HydrophobicContact CE1-CD1 4.29Å; Y355-L364 HydrophobicContact CE1-CD2 4.33Å; Y355-L364 HydrophobicContact CE2-CB 4.22Å; Y355-L364 HydrophobicContact CE2-CD2 4.39Å; Y355-L364 HydrophobicContact CG-CB 4.17Å; A361-L364 WeakPolarHBondContact O-CB 3.5Å; A361-L364 PolarHBondContact O-N 3.39Å; L364-R366 PolarHBondContact O-N 3.05Å; L364-A367 WeakPolarHBondContact O-CB 3.32Å; L364-A367 PolarHBondContact O-N 3.4Å; L364-F368 HydrophobicContact CD1-CD2 4.5Å; L364-F368 HydrophobicContact CD1-CE1 4.14Å; L364-F368 HydrophobicContact CD1-CE2 3.85Å; L364-F368 HydrophobicContact CD1-CZ 3.63Å; L364-F368 HydrophobicContact CD2-CE2 3.86Å; L364-F368 HydrophobicContact CD2-CZ 4.11Å; L364-F368 HydrophobicContact CG-CD2 4.07Å; L364-F368 HydrophobicContact CG-CE2 3.45Å; L364-F368 VanDerWaalsContact CG-CE2 3.45Å; L364-F368 HydrophobicContact CG-CZ 3.77Å; L364-F368 WeakPolarHBondContact O-CD2 3.46Å; L364-F368 WeakPolarHBondContact O-CG 3.31Å; L364-F368 PolarHBondContact O-N 3.44Å; L364-P410 HydrophobicContact CD1-CB 3.72Å; L364-P410 HydrophobicContact CD1-CG 3.76Å
365Y98.6Very high98.2Very high14 Ų1422 Ų226%0.05512%0.122CC..Hα-helixtrans-52.9-53.1171.8176-88.7000111.6P10 C12 E17 L21 W329 A361 K362 A367 F368 S369P10-Y365 WeakPolarHBondContact O-CE1 3.35Å; P10-Y365 PolarHBondContact O-OH 2.91Å; C12-Y365 HydrophobicContact CB-CD1 3.69Å; C12-Y365 HydrophobicContact CB-CD2 4.15Å; C12-Y365 HydrophobicContact CB-CE1 4.32Å; C12-Y365 HydrophobicContact CB-CG 3.6Å; E17-Y365 HydrophobicContact CB-CD2 3.92Å; E17-Y365 HydrophobicContact CB-CE2 3.92Å; L21-Y365 HydrophobicContact CD1-CD2 3.61Å; L21-Y365 HydrophobicContact CD1-CE2 3.41Å; L21-Y365 VanDerWaalsContact CD1-CE2 3.41Å; L21-Y365 HydrophobicContact CD1-CG 4.33Å; L21-Y365 HydrophobicContact CG-CD2 4.39Å; L21-Y365 HydrophobicContact CG-CE2 4.23Å; W329-Y365 HydrophobicContact CH2-CD1 4.3Å; W329-Y365 AromaticContact CH2-CE1 3.82Å; W329-Y365 HydrophobicContact CH2-CE1 3.82Å; W329-Y365 HydrophobicContact CZ2-CE1 4.29Å; A361-Y365 PolarHBondContact O-N 3.09Å; K362-Y365 WeakPolarHBondContact O-CB 2.96Å; K362-Y365 PolarHBondContact O-N 3.37Å; Y365-A367 VanDerWaalsContact C-N 3.29Å; Y365-A367 PolarHBondContact O-N 2.87Å; Y365-F368 PolarHBondContact O-N 3.2Å; Y365-F368 VanDerWaalsContact O-N 3.09Å; Y365-S369 WeakPolarHBondContact CE1-OG 3.16Å; Y365-S369 PolarHBondContact O-N 3.35Å; Y365-S369 PolarHBondContact O-OG 3.49Å; Y365-S369 VanDerWaalsContact O-OG 3.07Å
366R98.7Very high98.1Very high7 Ų721.8 Ų21.83%0.02613%0.125CC..Hα-helixtrans-59.5-38.1-179.5-66.9-175.8177.6173.93112.5D11 G325 D326 W329 F351 K362 Y363 L364 F370D11-R366 IonicContact OD1-CZ 2.66Å; D11-R366 IonicContact OD1-NE 3.48Å; D11-R366 PolarHBondContact OD1-NE 3.27Å; D11-R366 IonicContact OD1-NH2 3.12Å; D11-R366 IonicContact OD2-CZ 3.11Å; D11-R366 IonicContact OD2-NE 3.74Å; D11-R366 IonicContact OD2-NH2 2.96Å; D11-R366 PolarHBondContact OD2-NH2 3.46Å; G325-R366 PolarHBondContact O-NH1 3.23Å; D326-R366 IonicContact OD1-CZ 2.71Å; D326-R366 IonicContact OD1-NH1 2.66Å; D326-R366 PolarHBondContact OD1-NH1 3.45Å; D326-R366 IonicContact OD1-NH2 3.62Å; D326-R366 PolarHBondContact OD1-NH2 3.18Å; W329-R366 HydrophobicContact CD2-CG 3.75Å; W329-R366 HydrophobicContact CE3-CB 3.68Å; W329-R366 HydrophobicContact CE3-CG 3.3Å; W329-R366 HydrophobicContact CG-CG 4.42Å; W329-R366 HydrophobicContact CH2-CG 4.19Å; W329-R366 HydrophobicContact CZ3-CB 3.77Å; W329-R366 HydrophobicContact CZ3-CG 3.56Å; F351-R366 HydrophobicContact CB-CB 4.43Å; F351-R366 HydrophobicContact CD1-CB 3.91Å; F351-R366 HydrophobicContact CD2-CB 3.68Å; F351-R366 HydrophobicContact CE1-CB 3.99Å; F351-R366 HydrophobicContact CE1-CG 4.42Å; F351-R366 HydrophobicContact CE2-CB 3.77Å; F351-R366 HydrophobicContact CG-CB 3.76Å; F351-R366 HydrophobicContact CZ-CB 3.92Å; K362-R366 VanDerWaalsContact O-CG 3.25Å; K362-R366 WeakPolarHBondContact O-CG 3.32Å; K362-R366 PolarHBondContact O-N 3.29Å; Y363-R366 PolarHBondContact O-N 3.01Å; L364-R366 PolarHBondContact O-N 3.05Å; R366-F370 WeakPolarHBondContact O-CD2 3.36Å; R366-F370 PolarHBondContact O-N 3.36Å; R366-F370 VanDerWaalsContact O-N 3.12Å
367A98.8Very high98Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-63.3-44.5174.700000112.2F351 L352 Y363 L364 Y365 F370 A371 L406F351-A367 HydrophobicContact CB-CB 4.03Å; L352-A367 HydrophobicContact CD2-CB 3.87Å; L352-A367 HydrophobicContact CG-CB 4.01Å; Y363-A367 PolarHBondContact O-N 3.33Å; L364-A367 WeakPolarHBondContact O-CB 3.32Å; L364-A367 PolarHBondContact O-N 3.4Å; Y365-A367 VanDerWaalsContact C-N 3.29Å; Y365-A367 PolarHBondContact O-N 2.87Å; A367-F370 PolarHBondContact O-N 3.47Å; A367-A371 PolarHBondContact O-N 3.08Å; A367-L406 HydrophobicContact CB-CD2 4.43Å
368F98.6Very high98Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-65.8-43.5176.3-64.2-39.9000112.3A18 L21 D22 F27 L364 Y365 F370 A371 H372 L406A18-F368 WeakPolarHBondContact O-CD2 3.41Å; A18-F368 WeakPolarHBondContact O-CE2 3.1Å; L21-F368 HydrophobicContact CB-CB 3.64Å; L21-F368 HydrophobicContact CB-CD2 4Å; L21-F368 HydrophobicContact CB-CG 4.19Å; L21-F368 HydrophobicContact CD1-CB 4.32Å; D22-F368 HydrophobicContact CB-CD2 4.45Å; D22-F368 HydrophobicContact CB-CE2 3.6Å; D22-F368 HydrophobicContact CB-CZ 3.72Å; D22-F368 WeakPolarHBondContact OD1-CZ 3.35Å; F27-F368 AromaticContact CE2-CD1 3.6Å; F27-F368 HydrophobicContact CE2-CD1 3.6Å; F27-F368 AromaticContact CE2-CE1 3.73Å; F27-F368 HydrophobicContact CE2-CE1 3.73Å; F27-F368 AromaticContact CZ-CD1 3.78Å; F27-F368 HydrophobicContact CZ-CD1 3.78Å; F27-F368 HydrophobicContact CZ-CE1 4.38Å; F27-F368 HydrophobicContact CZ-CG 4.43Å; L364-F368 HydrophobicContact CD1-CD2 4.5Å; L364-F368 HydrophobicContact CD1-CE1 4.14Å; L364-F368 HydrophobicContact CD1-CE2 3.85Å; L364-F368 HydrophobicContact CD1-CZ 3.63Å; L364-F368 HydrophobicContact CD2-CE2 3.86Å; L364-F368 HydrophobicContact CD2-CZ 4.11Å; L364-F368 HydrophobicContact CG-CD2 4.07Å; L364-F368 HydrophobicContact CG-CE2 3.45Å; L364-F368 VanDerWaalsContact CG-CE2 3.45Å; L364-F368 HydrophobicContact CG-CZ 3.77Å; L364-F368 WeakPolarHBondContact O-CD2 3.46Å; L364-F368 WeakPolarHBondContact O-CG 3.31Å; L364-F368 PolarHBondContact O-N 3.44Å; Y365-F368 PolarHBondContact O-N 3.2Å; Y365-F368 VanDerWaalsContact O-N 3.09Å; F368-F370 VanDerWaalsContact C-N 3.26Å; F368-F370 PolarHBondContact O-N 3.48Å; F368-A371 WeakPolarHBondContact O-CB 3.25Å; F368-A371 PolarHBondContact O-N 3.03Å; F368-H372 PolarHBondContact O-CD2 3.19Å; F368-H372 PolarHBondContact O-N 3.4Å; F368-L406 HydrophobicContact CD1-CD1 4.34Å; F368-L406 HydrophobicContact CD1-CD2 3.91Å; F368-L406 HydrophobicContact CE1-CB 4.35Å; F368-L406 HydrophobicContact CE1-CD2 3.81Å
369S98.6Very high98Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-57.4-39.9176.8-59.20000111.9F9 L21 Y365 H372 F373F9-S369 WeakPolarHBondContact CE2-O 3.43Å; F9-S369 WeakPolarHBondContact CZ-O 3.13Å; L21-S369 VanDerWaalsContact CD1-OG 3.32Å; L21-S369 WeakPolarHBondContact CD1-OG 3.33Å; Y365-S369 WeakPolarHBondContact CE1-OG 3.16Å; Y365-S369 PolarHBondContact O-N 3.35Å; Y365-S369 PolarHBondContact O-OG 3.49Å; Y365-S369 VanDerWaalsContact O-OG 3.07Å; S369-H372 PolarHBondContact O-N 3.25Å; S369-F373 WeakPolarHBondContact O-CB 3.43Å; S369-F373 PolarHBondContact O-N 2.83Å
370F98.7Very high97.9Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-66.6-38.6176-85.8-132.8000112.4I328 W329 G332 L333 V344 N347 A348 F351 R366 A367 F368 F373 M374I328-F370 HydrophobicContact CG2-CE1 4.1Å; I328-F370 HydrophobicContact CG2-CZ 4.28Å; I328-F370 VanDerWaalsContact O-CZ 3.32Å; I328-F370 WeakPolarHBondContact O-CZ 3.5Å; W329-F370 HydrophobicContact CE3-CD2 4.35Å; W329-F370 AromaticContact CE3-CE2 3.69Å; W329-F370 HydrophobicContact CE3-CE2 3.69Å; W329-F370 HydrophobicContact CZ3-CD2 4.16Å; W329-F370 AromaticContact CZ3-CE2 3.87Å; W329-F370 HydrophobicContact CZ3-CE2 3.87Å; G332-F370 WeakPolarHBondContact O-CE1 3.29Å; L333-F370 HydrophobicContact CD2-CB 4.39Å; L333-F370 HydrophobicContact CD2-CD1 3.77Å; L333-F370 HydrophobicContact CD2-CD2 3.61Å; L333-F370 HydrophobicContact CD2-CE1 3.78Å; L333-F370 HydrophobicContact CD2-CE2 3.6Å; L333-F370 HydrophobicContact CD2-CG 3.67Å; L333-F370 HydrophobicContact CD2-CZ 3.67Å; L333-F370 HydrophobicContact CG-CE1 4.44Å; L333-F370 HydrophobicContact CG-CE2 4.08Å; L333-F370 HydrophobicContact CG-CZ 4.01Å; V344-F370 HydrophobicContact CG1-CB 4Å; V344-F370 HydrophobicContact CG1-CD1 3.76Å; V344-F370 HydrophobicContact CG1-CG 4.19Å; N347-F370 HydrophobicContact CB-CD1 4.33Å; N347-F370 HydrophobicContact CB-CE1 3.94Å; A348-F370 HydrophobicContact CB-CB 3.84Å; A348-F370 HydrophobicContact CB-CD1 4.18Å; A348-F370 HydrophobicContact CB-CG 4.37Å; F351-F370 HydrophobicContact CE2-CD1 4.02Å; F351-F370 AromaticContact CE2-CD2 3.82Å; F351-F370 HydrophobicContact CE2-CD2 3.82Å; F351-F370 AromaticContact CE2-CE1 3.82Å; F351-F370 HydrophobicContact CE2-CE1 3.82Å; F351-F370 AromaticContact CE2-CE2 3.64Å; F351-F370 HydrophobicContact CE2-CE2 3.64Å; F351-F370 HydrophobicContact CE2-CG 4.05Å; F351-F370 AromaticContact CE2-CZ 3.65Å; F351-F370 HydrophobicContact CE2-CZ 3.65Å; F351-F370 HydrophobicContact CZ-CE2 4.17Å; F351-F370 HydrophobicContact CZ-CZ 4.05Å; R366-F370 WeakPolarHBondContact O-CD2 3.36Å; R366-F370 PolarHBondContact O-N 3.36Å; R366-F370 VanDerWaalsContact O-N 3.12Å; A367-F370 PolarHBondContact O-N 3.47Å; F368-F370 VanDerWaalsContact C-N 3.26Å; F368-F370 PolarHBondContact O-N 3.48Å; F370-F373 PolarHBondContact O-N 3.04Å; F370-M374 PolarHBondContact O-N 3.35Å
371A98.7Very high97.8Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-66.9-41.9174.700000112F27 A367 F368 F373 M374 F403 L406F27-A371 HydrophobicContact CE1-CB 4Å; A367-A371 PolarHBondContact O-N 3.08Å; F368-A371 WeakPolarHBondContact O-CB 3.25Å; F368-A371 PolarHBondContact O-N 3.03Å; A371-F373 VanDerWaalsContact C-N 3.35Å; A371-M374 PolarHBondContact O-N 2.93Å; A371-F403 HydrophobicContact CB-CD1 4.44Å; A371-F403 HydrophobicContact CB-CE1 3.83Å; A371-F403 HydrophobicContact CB-CZ 4.28Å; A371-F403 WeakPolarHBondContact O-CZ 3.44Å; A371-L406 HydrophobicContact CB-CD1 3.36Å
372H98.2Very high97.7Very high25 Ų2536 Ų3612%0.11618%0.182CC..Hα-helixtrans-63.1-40.4174.3-76.8-55.5000112.2F9 L21 E23 R26 F27 F368 S369 M374 D375 S376F9-H372 HydrophobicContact CZ-CB 4.28Å; L21-H372 PolarHBondContact O-NE2 3.13Å; L21-H372 VanDerWaalsContact O-NE2 3.15Å; E23-H372 IonicContact OE2-CE1 2.69Å; E23-H372 PolarHBondContact OE2-CE1 3.12Å; E23-H372 IonicContact OE2-ND1 2.75Å; E23-H372 IonicContact OE2-NE2 3.15Å; R26-H372 PolarHBondContact NE-ND1 3.49Å; F27-H372 AromaticContact CZ-NE2 3.83Å; F368-H372 PolarHBondContact O-CD2 3.19Å; F368-H372 PolarHBondContact O-N 3.4Å; S369-H372 PolarHBondContact O-N 3.25Å; H372-M374 VanDerWaalsContact C-N 3.27Å; H372-M374 PolarHBondContact O-N 3.47Å; H372-D375 PolarHBondContact O-N 3.41Å; H372-D375 VanDerWaalsContact O-N 3.09Å; H372-S376 PolarHBondContact O-N 2.92Å
373F98.6Very high97.7Very high1 Ų134.6 Ų34.60%0.00418%0.181CC..Hα-helixtrans-57.3-39177.6-173.6-109.5000113.1F5 P8 F9 L333 V344 S369 F370 A371 D375 S376 F379F5-F373 HydrophobicContact CB-CE1 4.17Å; F5-F373 HydrophobicContact CB-CE2 4.47Å; F5-F373 HydrophobicContact CB-CZ 3.62Å; F5-F373 AromaticContact CD1-CZ 3.94Å; F5-F373 HydrophobicContact CD1-CZ 3.94Å; F5-F373 AromaticContact CD2-CE1 3.49Å; F5-F373 HydrophobicContact CD2-CE1 3.49Å; F5-F373 VanDerWaalsContact CD2-CE1 3.49Å; F5-F373 AromaticContact CD2-CZ 3.58Å; F5-F373 HydrophobicContact CD2-CZ 3.58Å; F5-F373 HydrophobicContact CE1-CZ 4.44Å; F5-F373 AromaticContact CE2-CE1 3.92Å; F5-F373 HydrophobicContact CE2-CE1 3.92Å; F5-F373 HydrophobicContact CE2-CZ 4.13Å; F5-F373 AromaticContact CG-CE1 3.9Å; F5-F373 HydrophobicContact CG-CE1 3.9Å; F5-F373 AromaticContact CG-CZ 3.47Å; F5-F373 HydrophobicContact CG-CZ 3.47Å; F5-F373 VanDerWaalsContact CG-CZ 3.47Å; P8-F373 HydrophobicContact CG-CD2 4.1Å; P8-F373 HydrophobicContact CG-CE2 4.27Å; F9-F373 HydrophobicContact CE2-CB 3.95Å; F9-F373 HydrophobicContact CE2-CD2 4.25Å; F9-F373 HydrophobicContact CZ-CB 4.42Å; L333-F373 HydrophobicContact CB-CD1 4.07Å; L333-F373 HydrophobicContact CB-CE1 3.88Å; L333-F373 HydrophobicContact CB-CZ 4.42Å; L333-F373 HydrophobicContact CD1-CB 4.42Å; L333-F373 HydrophobicContact CD1-CD1 3.95Å; L333-F373 HydrophobicContact CD1-CD2 3.83Å; L333-F373 HydrophobicContact CD1-CE1 4.13Å; L333-F373 HydrophobicContact CD1-CE2 4.04Å; L333-F373 HydrophobicContact CD1-CG 3.78Å; L333-F373 HydrophobicContact CD1-CZ 4.19Å; L333-F373 HydrophobicContact CD2-CB 3.96Å; L333-F373 HydrophobicContact CD2-CD1 3.66Å; L333-F373 HydrophobicContact CD2-CE1 4.35Å; L333-F373 HydrophobicContact CD2-CG 3.85Å; L333-F373 HydrophobicContact CG-CD1 4.1Å; L333-F373 HydrophobicContact CG-CE1 4.35Å; L333-F373 HydrophobicContact CG-CG 4.33Å; V344-F373 HydrophobicContact CG2-CD1 4.49Å; S369-F373 WeakPolarHBondContact O-CB 3.43Å; S369-F373 PolarHBondContact O-N 2.83Å; F370-F373 PolarHBondContact O-N 3.04Å; A371-F373 VanDerWaalsContact C-N 3.35Å; F373-D375 PolarHBondContact O-N 3.18Å; F373-D375 VanDerWaalsContact O-N 3.12Å; F373-S376 WeakPolarHBondContact O-CB 3.03Å; F373-S376 PolarHBondContact O-N 2.88Å; F373-S376 PolarHBondContact O-OG 2.96Å; F373-F379 HydrophobicContact CD1-CB 4.27Å; F373-F379 HydrophobicContact CD1-CD2 4Å; F373-F379 HydrophobicContact CD1-CG 4.44Å; F373-F379 HydrophobicContact CE1-CB 3.99Å; F373-F379 AromaticContact CE1-CD2 3.66Å; F373-F379 HydrophobicContact CE1-CD2 3.66Å; F373-F379 HydrophobicContact CE1-CG 4.26Å; F373-F379 HydrophobicContact CZ-CB 4.26Å; F373-F379 WeakPolarHBondContact O-CB 3.49Å
374M98.3Very high97.6Very high11 Ų1139.7 Ų39.75%0.05420%0.2CC..THydrogen-bonded Turntrans-64.7-15.2-179.7-73-169.2-74.400114.1P338 V344 S345 F370 A371 H372 F379 A399 L402 F403P338-M374 HydrophobicContact CB-SD 3.69Å; V344-M374 HydrophobicContact CB-CG 3.86Å; V344-M374 HydrophobicContact CB-SD 3.92Å; V344-M374 HydrophobicContact CG1-CG 3.81Å; V344-M374 HydrophobicContact CG1-SD 4.18Å; V344-M374 HydrophobicContact CG2-CG 4.3Å; S345-M374 WeakPolarHBondContact OG-CE 3.27Å; S345-M374 PolarHBondContact OG-SD 3.42Å; F370-M374 PolarHBondContact O-N 3.35Å; A371-M374 PolarHBondContact O-N 2.93Å; H372-M374 VanDerWaalsContact C-N 3.27Å; H372-M374 PolarHBondContact O-N 3.47Å; M374-F379 HydrophobicContact CB-CD1 4.33Å; M374-F379 HydrophobicContact CB-CE1 4.27Å; M374-F379 HydrophobicContact CG-CE1 4.29Å; M374-F379 HydrophobicContact CG-CE2 4.46Å; M374-F379 HydrophobicContact CG-CZ 4.2Å; M374-F379 WeakPolarHBondContact O-CD1 3.35Å; M374-A399 HydrophobicContact SD-CB 4.43Å; M374-L402 HydrophobicContact CE-CD2 3.75Å; M374-F403 HydrophobicContact CB-CZ 4.41Å; M374-F403 HydrophobicContact CE-CE2 3.64Å; M374-F403 HydrophobicContact CE-CZ 3.84Å
375D95.3Very high97.5Very high39 Ų3946.6 Ų46.621%0.20923%0.229CC..THydrogen-bonded Turntrans-104.94173.2-71.3-52.4000112.8R26 K30 H372 F373 M380R26-D375 IonicContact CZ-OD2 2.6Å; R26-D375 IonicContact NH1-OD2 3.35Å; R26-D375 PolarHBondContact NH1-OD2 3.18Å; R26-D375 VanDerWaalsContact NH2-CG 3.3Å; R26-D375 IonicContact NH2-OD2 2.81Å; R26-D375 PolarHBondContact NH2-OD2 3.29Å; K30-D375 WeakPolarHBondContact CE-OD1 3.48Å; K30-D375 IonicContact NZ-OD1 3.91Å; K30-D375 PolarHBondContact NZ-OD1 2.68Å; H372-D375 PolarHBondContact O-N 3.41Å; H372-D375 VanDerWaalsContact O-N 3.09Å; F373-D375 PolarHBondContact O-N 3.18Å; F373-D375 VanDerWaalsContact O-N 3.12Å; D375-M380 WeakPolarHBondContact O-CE 3.15Å
376S97.3Very high97.3Very high32 Ų3246.5 Ų46.522%0.22423%0.231CC..SBendtrans-68.7151.1174.572.80000111.4H372 F373 E378 F379 M380H372-S376 PolarHBondContact O-N 2.92Å; F373-S376 WeakPolarHBondContact O-CB 3.03Å; F373-S376 PolarHBondContact O-N 2.88Å; F373-S376 PolarHBondContact O-OG 2.96Å; S376-E378 PolarHBondContact O-N 2.77Å; S376-F379 PolarHBondContact O-N 3.16Å; S376-F379 WeakPolarHBondContact OG-CB 3.41Å; S376-F379 PolarHBondContact OG-N 2.84Å; S376-F379 VanDerWaalsContact OG-N 3.1Å; S376-M380 WeakPolarHBondContact O-CG 3.36Å; S376-M380 PolarHBondContact O-N 3.33Å
377I97Very high97.2Very high116 Ų11652.8 Ų52.860%0.59527%0.265SS*.Hα-helixtrans-57.6-40.1173.5-64.8174.1000110.4M380 Q381I377-M380 HydrophobicContact CG1-CE 4.45Å; I377-M380 PolarHBondContact O-N 3.18Å; I377-Q381 VanDerWaalsContact CG2-CD 3.5Å; I377-Q381 HydrophobicContact CG2-CG 4.12Å; I377-Q381 WeakPolarHBondContact O-CB 3.5Å; I377-Q381 WeakPolarHBondContact O-CG 3.27Å; I377-Q381 PolarHBondContact O-N 2.99Å
378E97.3Very high97.1Very high79 Ų7954.4 Ų54.437%0.36928%0.276SS..Hα-helixtrans-58.6-50.4179.1-176.2176.4-171.300111.6F5 S376 Q381 S382F5-E378 HydrophobicContact CD1-CG 3.96Å; F5-E378 WeakPolarHBondContact CD1-OE1 3.48Å; F5-E378 HydrophobicContact CE1-CG 3.94Å; S376-E378 PolarHBondContact O-N 2.77Å; E378-Q381 PolarHBondContact O-N 3.46Å; E378-S382 VanDerWaalsContact O-CB 3.29Å; E378-S382 WeakPolarHBondContact O-CB 3.41Å; E378-S382 PolarHBondContact O-N 3.15Å
379F98.1Very high97.1Very high18 Ų1855.5 Ų55.58%0.07928%0.283CS..Hα-helixtrans-62.7-47.2177.6-176.4-96.1000111.4F5 P338 V344 F373 M374 S376 Q381 S382 A383F5-F379 AromaticContact CE2-CD2 3.93Å; F5-F379 HydrophobicContact CE2-CD2 3.93Å; F5-F379 HydrophobicContact CE2-CE2 4.48Å; F5-F379 HydrophobicContact CZ-CD2 4.43Å; P338-F379 HydrophobicContact CB-CE1 4.32Å; P338-F379 HydrophobicContact CB-CZ 3.97Å; V344-F379 HydrophobicContact CG2-CD2 4.35Å; V344-F379 HydrophobicContact CG2-CE2 3.72Å; V344-F379 HydrophobicContact CG2-CZ 4.48Å; F373-F379 HydrophobicContact CD1-CB 4.27Å; F373-F379 HydrophobicContact CD1-CD2 4Å; F373-F379 HydrophobicContact CD1-CG 4.44Å; F373-F379 HydrophobicContact CE1-CB 3.99Å; F373-F379 AromaticContact CE1-CD2 3.66Å; F373-F379 HydrophobicContact CE1-CD2 3.66Å; F373-F379 HydrophobicContact CE1-CG 4.26Å; F373-F379 HydrophobicContact CZ-CB 4.26Å; F373-F379 WeakPolarHBondContact O-CB 3.49Å; M374-F379 HydrophobicContact CB-CD1 4.33Å; M374-F379 HydrophobicContact CB-CE1 4.27Å; M374-F379 HydrophobicContact CG-CE1 4.29Å; M374-F379 HydrophobicContact CG-CE2 4.46Å; M374-F379 HydrophobicContact CG-CZ 4.2Å; M374-F379 WeakPolarHBondContact O-CD1 3.35Å; S376-F379 PolarHBondContact O-N 3.16Å; S376-F379 WeakPolarHBondContact OG-CB 3.41Å; S376-F379 PolarHBondContact OG-N 2.84Å; S376-F379 VanDerWaalsContact OG-N 3.1Å; F379-Q381 VanDerWaalsContact C-N 3.26Å; F379-Q381 PolarHBondContact O-N 3.02Å; F379-S382 PolarHBondContact O-N 3.27Å; F379-A383 HydrophobicContact CD1-CB 4.26Å; F379-A383 HydrophobicContact CD2-CB 3.76Å; F379-A383 HydrophobicContact CE1-CB 4.15Å; F379-A383 HydrophobicContact CE2-CB 3.64Å; F379-A383 HydrophobicContact CG-CB 4.09Å; F379-A383 HydrophobicContact CZ-CB 3.85Å; F379-A383 WeakPolarHBondContact O-CB 3.48Å; F379-A383 PolarHBondContact O-N 3.49Å
380M95.5Very high97.1Very high124 Ų12457.5 Ų57.561%0.61129%0.291SS*.Hα-helixtrans-62.4-31.3-178.5-70.8-171.6-70.400113.6D375 S376 I377D375-M380 WeakPolarHBondContact O-CE 3.15Å; S376-M380 WeakPolarHBondContact O-CG 3.36Å; S376-M380 PolarHBondContact O-N 3.33Å; I377-M380 HydrophobicContact CG1-CE 4.45Å; I377-M380 PolarHBondContact O-N 3.18Å
381Q95.6Very high97.1Very high154 Ų15457.5 Ų57.572%0.7229%0.291SS*.Hα-helixtrans-88.8-33.9-179.6-71.3-179.2-11.200113.5I377 E378 F379I377-Q381 VanDerWaalsContact CG2-CD 3.5Å; I377-Q381 HydrophobicContact CG2-CG 4.12Å; I377-Q381 WeakPolarHBondContact O-CB 3.5Å; I377-Q381 WeakPolarHBondContact O-CG 3.27Å; I377-Q381 PolarHBondContact O-N 2.99Å; E378-Q381 PolarHBondContact O-N 3.46Å; F379-Q381 VanDerWaalsContact C-N 3.26Å; F379-Q381 PolarHBondContact O-N 3.02Å
382S95.9Very high97.1Very high57 Ų5757.5 Ų57.540%0.39929%0.291SS..Hα-helixtrans-118.4-6.6-165.7-63.40000114.5E378 F379E378-S382 VanDerWaalsContact O-CB 3.29Å; E378-S382 WeakPolarHBondContact O-CB 3.41Å; E378-S382 PolarHBondContact O-N 3.15Å; F379-S382 PolarHBondContact O-N 3.27Å
383A96.8Very high97.1Very high28 Ų2856.4 Ų56.423%0.23129%0.286CS..SBendtrans-71.1139170.600000110.1F5 F379F5-A383 HydrophobicContact CE2-CB 4.46Å; F5-A383 HydrophobicContact CZ-CB 4.27Å; F379-A383 HydrophobicContact CD1-CB 4.26Å; F379-A383 HydrophobicContact CD2-CB 3.76Å; F379-A383 HydrophobicContact CE1-CB 4.15Å; F379-A383 HydrophobicContact CE2-CB 3.64Å; F379-A383 HydrophobicContact CG-CB 4.09Å; F379-A383 HydrophobicContact CZ-CB 3.85Å; F379-A383 WeakPolarHBondContact O-CB 3.48Å; F379-A383 PolarHBondContact O-N 3.49Å
384R96.3Very high97.1Very high109 Ų10957.4 Ų57.441%0.41129%0.29SS..PPolyproline II helixtrans-69.7147.6173.4-56.4175.7-168.1169.76.2108.8R335 P386R335-R384 VanDerWaalsContact O-CB 3.31Å; R335-R384 WeakPolarHBondContact O-CB 3.12Å; R335-R384 WeakPolarHBondContact O-CG 3.28Å; R335-R384 PolarHBondContact O-N 3.31Å; R384-P386 WeakPolarHBondContact O-CD 3.46Å
385K95.7Very high97.1Very high164 Ų16456.9 Ų56.971%0.71329%0.288SS*.PPolyproline II helixtrans-77.5123.4170.9-174.3179.7175.1-1740108.8P389K385-P389 HydrophobicContact CG-CB 4.31Å
386P96.4Very high97.2Very high13 Ų1357 Ų578%0.08429%0.288CS..PPolyproline II helixtrans-63.4156.7173-16.527.8000111.7R384 S388 P389 E394R384-P386 WeakPolarHBondContact O-CD 3.46Å; P386-S388 VanDerWaalsContact C-N 3.29Å; P386-S388 PolarHBondContact O-N 2.99Å; P386-P389 WeakPolarHBondContact O-CD 3.32Å; P386-E394 HydrophobicContact CB-CB 3.96Å; P386-E394 WeakPolarHBondContact CB-O 3.39Å; P386-E394 WeakPolarHBondContact CG-O 3.34Å
387D94.9Very high97.3Very high139 Ų13955.5 Ų55.574%0.74328%0.278SS*.SBendtrans-62.6-39.9177.8-62.8-38.9000110.8P389D387-P389 VanDerWaalsContact O-CD 3.25Å; D387-P389 WeakPolarHBondContact O-CD 3.13Å
388S97.1Very high97.4Very high33 Ų3350 Ų5023%0.23125%0.249CC..SBendtrans-114.774.4173.8-55.10000111.5V55 P386 Y390 S391 E394V55-S388 WeakPolarHBondContact CB-OG 3.28Å; V55-S388 WeakPolarHBondContact CG1-OG 3.45Å; P386-S388 VanDerWaalsContact C-N 3.29Å; P386-S388 PolarHBondContact O-N 2.99Å; S388-Y390 PolarHBondContact O-N 2.96Å; S388-S391 WeakPolarHBondContact CB-OG 3.49Å; S388-S391 WeakPolarHBondContact O-CB 3.45Å; S388-S391 PolarHBondContact O-N 3.25Å; S388-S391 VanDerWaalsContact O-N 3.08Å; S388-S391 PolarHBondContact O-OG 2.69Å; S388-E394 WeakPolarHBondContact CB-OE2 2.91Å; S388-E394 PolarHBondContact N-OE2 3.41Å
389P98.1Very high97.5Very high23 Ų2346.2 Ų46.215%0.14923%0.232CC..THydrogen-bonded Turntrans-67.3-14.8-164.428.5-37.5000114.8K385 P386 D387 G395 L396K385-P389 HydrophobicContact CG-CB 4.31Å; P386-P389 WeakPolarHBondContact O-CD 3.32Å; D387-P389 VanDerWaalsContact O-CD 3.25Å; D387-P389 WeakPolarHBondContact O-CD 3.13Å; P389-G395 CarbonylContact O-C 3.14Å; P389-G395 WeakPolarHBondContact O-CA 3.43Å; P389-L396 WeakPolarHBondContact O-CG 3.46Å; P389-L396 PolarHBondContact O-N 2.91Å
390Y98.6Very high97.5Very high43 Ų4345.4 Ų45.417%0.16923%0.228CC..THydrogen-bonded Turntrans-110.25.6-179.9-49.7-62.2000113.4T37 R41 F42 S388 L396T37-Y390 HydrophobicContact CG2-CE1 4.25Å; R41-Y390 HydrophobicContact CB-CD1 4.28Å; R41-Y390 HydrophobicContact CB-CD2 4.26Å; R41-Y390 HydrophobicContact CB-CE1 3.72Å; R41-Y390 HydrophobicContact CB-CE2 3.68Å; R41-Y390 VanDerWaalsContact CD-OH 3.27Å; R41-Y390 WeakPolarHBondContact CD-OH 3.29Å; R41-Y390 HydrophobicContact CG-CE1 4.48Å; R41-Y390 WeakPolarHBondContact O-CD2 3.33Å; R41-Y390 VanDerWaalsContact O-CE2 3.27Å; R41-Y390 WeakPolarHBondContact O-CE2 3.42Å; F42-Y390 HydrophobicContact CB-CD2 4.13Å; F42-Y390 HydrophobicContact CB-CG 4.15Å; F42-Y390 WeakPolarHBondContact CD1-O 3.15Å; F42-Y390 HydrophobicContact CD2-CD2 4.42Å; F42-Y390 HydrophobicContact CG-CD2 4.34Å; F42-Y390 HydrophobicContact CG-CG 4.43Å; S388-Y390 PolarHBondContact O-N 2.96Å; Y390-L396 HydrophobicContact CD1-CD1 4.09Å; Y390-L396 HydrophobicContact CE1-CD1 4.22Å
391S98.6Very high97.7Very high0 Ų039.5 Ų39.50%020%0.199CC..SBendtrans-81.6170.7-178.4690000113V55 S388 E394 G395 A397V55-S391 VanDerWaalsContact CA-CB 3.5Å; V55-S391 WeakPolarHBondContact O-CB 3.27Å; S388-S391 WeakPolarHBondContact CB-OG 3.49Å; S388-S391 WeakPolarHBondContact O-CB 3.45Å; S388-S391 PolarHBondContact O-N 3.25Å; S388-S391 VanDerWaalsContact O-N 3.08Å; S388-S391 PolarHBondContact O-OG 2.69Å; S391-E394 PolarHBondContact OG-N 2.91Å; S391-G395 CarbonylContact O-C 3.57Å; S391-G395 VanDerWaalsContact O-C 3.25Å; S391-G395 WeakPolarHBondContact O-CA 3.18Å; S391-G395 PolarHBondContact O-N 3.45Å; S391-A397 WeakPolarHBondContact O-CB 3.49Å; S391-A397 PolarHBondContact O-N 3.18Å; S391-A397 VanDerWaalsContact O-N 3.16Å
392L98.8Very high97.8Very high0 Ų032.1 Ų32.10%017%0.165CC..THydrogen-bonded Turntrans-67.7-54.4176.3175.460.1000111.4Y62 S63 I340 G398 P416 L417Y62-L392 HydrophobicContact CD1-CD2 3.85Å; S63-L392 WeakPolarHBondContact OG-CD1 3.32Å; I340-L392 HydrophobicContact CD1-CD1 3.89Å; I340-L392 HydrophobicContact CD1-CG 3.98Å; I340-L392 WeakPolarHBondContact CG1-O 3.41Å; L392-G398 WeakPolarHBondContact O-CA 3.46Å; L392-G398 PolarHBondContact O-N 3.34Å; L392-G398 VanDerWaalsContact O-N 3.16Å; L392-P416 HydrophobicContact CD1-CB 3.9Å; L392-P416 HydrophobicContact CD1-CG 4.19Å; L392-P416 HydrophobicContact CD2-CB 4.41Å; L392-L417 HydrophobicContact CD2-CD1 3.69Å
393F98.7Very high98Very high2 Ų229.6 Ų29.61%0.00915%0.147CC..THydrogen-bonded Turntrans-82.2-31.9-170-83-102.7000114.4Y54 L108 W294 I340 C341 F415 L417Y54-F393 HydrophobicContact CD1-CB 4.42Å; Y54-F393 HydrophobicContact CD2-CB 3.34Å; Y54-F393 AromaticContact CD2-CD1 3.53Å; Y54-F393 HydrophobicContact CD2-CD1 3.53Å; Y54-F393 AromaticContact CD2-CD2 3.7Å; Y54-F393 HydrophobicContact CD2-CD2 3.7Å; Y54-F393 HydrophobicContact CD2-CE1 4.21Å; Y54-F393 HydrophobicContact CD2-CE2 4.33Å; Y54-F393 AromaticContact CD2-CG 3.21Å; Y54-F393 HydrophobicContact CD2-CG 3.21Å; Y54-F393 HydrophobicContact CE1-CB 4.36Å; Y54-F393 HydrophobicContact CE2-CB 3.29Å; Y54-F393 AromaticContact CE2-CD1 3.45Å; Y54-F393 HydrophobicContact CE2-CD1 3.45Å; Y54-F393 VanDerWaalsContact CE2-CD1 3.45Å; Y54-F393 HydrophobicContact CE2-CD2 4.37Å; Y54-F393 HydrophobicContact CE2-CE1 4.36Å; Y54-F393 AromaticContact CE2-CG 3.44Å; Y54-F393 HydrophobicContact CE2-CG 3.44Å; Y54-F393 VanDerWaalsContact CE2-CG 3.44Å; Y54-F393 HydrophobicContact CG-CB 3.92Å; Y54-F393 HydrophobicContact CG-CD2 4.31Å; Y54-F393 HydrophobicContact CG-CG 4.08Å; Y54-F393 WeakPolarHBondContact O-CB 3.38Å; Y54-F393 PolarHBondContact O-N 2.87Å; L108-F393 HydrophobicContact CD1-CE1 4.03Å; L108-F393 HydrophobicContact CD1-CE2 4.39Å; L108-F393 HydrophobicContact CD1-CZ 3.76Å; L108-F393 HydrophobicContact CD2-CE2 3.68Å; L108-F393 HydrophobicContact CD2-CZ 3.57Å; L108-F393 HydrophobicContact CG-CZ 4.32Å; W294-F393 HydrophobicContact CE3-CD1 4.28Å; W294-F393 HydrophobicContact CE3-CE1 4.24Å; W294-F393 HydrophobicContact CH2-CD1 4.32Å; W294-F393 AromaticContact CH2-CE1 3.65Å; W294-F393 HydrophobicContact CH2-CE1 3.65Å; W294-F393 HydrophobicContact CZ2-CE1 4.17Å; W294-F393 AromaticContact CZ3-CD1 3.89Å; W294-F393 HydrophobicContact CZ3-CD1 3.89Å; W294-F393 AromaticContact CZ3-CE1 3.69Å; W294-F393 HydrophobicContact CZ3-CE1 3.69Å; I340-F393 HydrophobicContact CD1-CD1 4.2Å; I340-F393 HydrophobicContact CD1-CD2 4.32Å; I340-F393 HydrophobicContact CD1-CE1 4.22Å; I340-F393 HydrophobicContact CD1-CE2 4.37Å; I340-F393 HydrophobicContact CD1-CG 4.27Å; I340-F393 HydrophobicContact CD1-CZ 4.31Å; I340-F393 HydrophobicContact CG1-CB 4.46Å; I340-F393 HydrophobicContact CG1-CD1 4.05Å; I340-F393 HydrophobicContact CG1-CE1 4.49Å; I340-F393 HydrophobicContact CG1-CG 4.15Å; I340-F393 PolarHBondContact N-O 2.95Å; C341-F393 HydrophobicContact CB-CB 4.02Å; C341-F393 HydrophobicContact CB-CD1 4.04Å; C341-F393 VanDerWaalsContact CB-O 3.25Å; C341-F393 WeakPolarHBondContact CB-O 3.13Å; C341-F393 PolarHBondContact N-O 3.29Å; F393-F415 HydrophobicContact CE1-CE1 4.39Å; F393-L417 HydrophobicContact CE2-CD1 4.16Å
394E98.5Very high98.1Very high21 Ų2128.2 Ų28.210%0.09814%0.136CC..THydrogen-bonded Turntrans-101.6-22.5-177.3-59.1-17016800113.4Y54 V55 G339 H342 P386 S388 S391Y54-E394 HydrophobicContact CE1-CG 4.33Å; V55-E394 VanDerWaalsContact CG1-CD 3.5Å; V55-E394 HydrophobicContact CG1-CG 3.76Å; G339-E394 VanDerWaalsContact CA-C 3.47Å; G339-E394 WeakPolarHBondContact CA-O 3.36Å; G339-E394 PolarHBondContact N-O 3.46Å; H342-E394 IonicContact CE1-OE1 2.9Å; P386-E394 HydrophobicContact CB-CB 3.96Å; P386-E394 WeakPolarHBondContact CB-O 3.39Å; P386-E394 WeakPolarHBondContact CG-O 3.34Å; S388-E394 WeakPolarHBondContact CB-OE2 2.91Å; S388-E394 PolarHBondContact N-OE2 3.41Å; S391-E394 PolarHBondContact OG-N 2.91Å
395G98.3Very high98.2Very high0 Ų023.1 Ų23.10%012%0.116CC..SBendtrans-128.2-159.3-15900000116.1G339 P389 S391 A397 G398G339-G395 WeakPolarHBondContact CA-O 3.34Å; P389-G395 CarbonylContact O-C 3.14Å; P389-G395 WeakPolarHBondContact O-CA 3.43Å; S391-G395 CarbonylContact O-C 3.57Å; S391-G395 VanDerWaalsContact O-C 3.25Å; S391-G395 WeakPolarHBondContact O-CA 3.18Å; S391-G395 PolarHBondContact O-N 3.45Å; G395-A397 PolarHBondContact O-N 2.98Å; G395-G398 PolarHBondContact O-N 2.81Å
396L98.8Very high98.3Very high42 Ų4215.3 Ų15.322%0.228%0.082CC..Hα-helixtrans-65-20.8-173.3-66.1177.2000114L34 T37 C38 P338 P389 Y390 A399 L400L34-L396 HydrophobicContact CD2-CB 4.23Å; L34-L396 HydrophobicContact CD2-CD1 4.42Å; L34-L396 HydrophobicContact CD2-CD2 3.78Å; L34-L396 HydrophobicContact CD2-CG 4.36Å; T37-L396 HydrophobicContact CG2-CD1 3.95Å; C38-L396 VanDerWaalsContact SG-CB 3.53Å; P338-L396 HydrophobicContact CB-CD2 4.44Å; P338-L396 HydrophobicContact CG-CD2 3.66Å; P338-L396 HydrophobicContact CG-CG 4.44Å; P389-L396 WeakPolarHBondContact O-CG 3.46Å; P389-L396 PolarHBondContact O-N 2.91Å; Y390-L396 HydrophobicContact CD1-CD1 4.09Å; Y390-L396 HydrophobicContact CE1-CD1 4.22Å; L396-A399 PolarHBondContact O-N 3.42Å; L396-L400 WeakPolarHBondContact O-CB 3.44Å; L396-L400 PolarHBondContact O-N 3.42Å
397A98.9Very high98.4Very high0 Ų014.9 Ų14.90%08%0.08CC..Hα-helixtrans-72.8-32.5177.200000111.7L60 S63 S391 G395 L400 C401L60-A397 HydrophobicContact CB-CB 4.43Å; L60-A397 HydrophobicContact CD1-CB 3.78Å; S63-A397 VanDerWaalsContact OG-CB 3.28Å; S63-A397 WeakPolarHBondContact OG-CB 3.43Å; S63-A397 PolarHBondContact OG-O 3.29Å; S391-A397 WeakPolarHBondContact O-CB 3.49Å; S391-A397 PolarHBondContact O-N 3.18Å; S391-A397 VanDerWaalsContact O-N 3.16Å; G395-A397 PolarHBondContact O-N 2.98Å; A397-L400 WeakPolarHBondContact O-CB 3.37Å; A397-L400 PolarHBondContact O-N 2.98Å; A397-C401 PolarHBondContact O-N 3Å; A397-C401 PolarHBondContact O-SG 2.95Å; A397-C401 VanDerWaalsContact O-SG 3.32Å
398G98.8Very high98.5Very high0 Ų09.5 Ų9.50%05%0.051CC..Hα-helixtrans-64.7-44.4169.600000112.5L392 G395 L400 C401 L402L392-G398 WeakPolarHBondContact O-CA 3.46Å; L392-G398 PolarHBondContact O-N 3.34Å; L392-G398 VanDerWaalsContact O-N 3.16Å; G395-G398 PolarHBondContact O-N 2.81Å; G398-L400 VanDerWaalsContact C-N 3.33Å; G398-L400 PolarHBondContact O-N 2.82Å; G398-C401 WeakPolarHBondContact O-CB 3.38Å; G398-C401 PolarHBondContact O-N 3.09Å; G398-L402 PolarHBondContact O-N 3.2Å
399A98.9Very high98.5Very high1 Ų110.6 Ų10.61%0.0085%0.054CC..Hα-helixtrans-62.5-40.2174.600000112.2L34 P338 S345 M374 L396 C401 L402 F403L34-A399 HydrophobicContact CD1-CB 4.2Å; P338-A399 HydrophobicContact CB-CB 4.01Å; S345-A399 VanDerWaalsContact OG-CA 3.3Å; S345-A399 WeakPolarHBondContact OG-CA 3.15Å; M374-A399 HydrophobicContact SD-CB 4.43Å; L396-A399 PolarHBondContact O-N 3.42Å; A399-C401 VanDerWaalsContact C-N 3.26Å; A399-C401 PolarHBondContact O-N 2.96Å; A399-L402 PolarHBondContact O-N 3.18Å; A399-L402 VanDerWaalsContact O-N 3.08Å; A399-F403 HydrophobicContact CB-CD2 4.42Å; A399-F403 HydrophobicContact CB-CE2 4.44Å; A399-F403 WeakPolarHBondContact O-CD2 3.32Å; A399-F403 PolarHBondContact O-N 3.42Å
400L98.8Very high98.4Very high0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-53.9-44.6174-177.9166.5000110.9T31 L34 K35 L64 A67 L396 A397 G398 L402 F403 A404T31-L400 HydrophobicContact CG2-CD2 3.93Å; T31-L400 HydrophobicContact CG2-CG 3.91Å; L34-L400 HydrophobicContact CB-CB 4.05Å; L34-L400 HydrophobicContact CB-CD1 4.31Å; L34-L400 HydrophobicContact CB-CG 4.31Å; L34-L400 HydrophobicContact CD1-CB 4.25Å; K35-L400 HydrophobicContact CB-CD1 3.96Å; L64-L400 HydrophobicContact CD2-CD1 4.08Å; A67-L400 HydrophobicContact CB-CD2 3.57Å; L396-L400 WeakPolarHBondContact O-CB 3.44Å; L396-L400 PolarHBondContact O-N 3.42Å; A397-L400 WeakPolarHBondContact O-CB 3.37Å; A397-L400 PolarHBondContact O-N 2.98Å; G398-L400 VanDerWaalsContact C-N 3.33Å; G398-L400 PolarHBondContact O-N 2.82Å; L400-L402 PolarHBondContact O-N 3.03Å; L400-F403 PolarHBondContact O-N 2.9Å; L400-A404 VanDerWaalsContact O-CB 3.31Å; L400-A404 WeakPolarHBondContact O-CB 3.5Å; L400-A404 PolarHBondContact O-N 3.25Å
401C98.9Very high98.3Very high0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-60.9-44.9176.9-62.20000111.8Y66 Y349 A397 G398 A399 A404 D405 P416Y66-C401 HydrophobicContact CD1-CB 4.02Å; Y66-C401 HydrophobicContact CE1-CB 4.2Å; Y349-C401 WeakPolarHBondContact OH-CB 3.44Å; Y349-C401 PolarHBondContact OH-O 3.19Å; A397-C401 PolarHBondContact O-N 3Å; A397-C401 PolarHBondContact O-SG 2.95Å; A397-C401 VanDerWaalsContact O-SG 3.32Å; G398-C401 WeakPolarHBondContact O-CB 3.38Å; G398-C401 PolarHBondContact O-N 3.09Å; A399-C401 VanDerWaalsContact C-N 3.26Å; A399-C401 PolarHBondContact O-N 2.96Å; C401-A404 WeakPolarHBondContact O-CB 3.42Å; C401-A404 PolarHBondContact O-N 3.12Å; C401-D405 PolarHBondContact O-N 2.91Å; C401-P416 HydrophobicContact CB-CG 3.78Å
402L98.9Very high98.2Very high0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-61.6-50.9178.2178.872.6000111.4A348 Y349 L352 M374 G398 A399 L400 A404 D405 L406A348-L402 HydrophobicContact CB-CD1 4.01Å; A348-L402 HydrophobicContact CB-CD2 3.68Å; Y349-L402 HydrophobicContact CD2-CD1 4.25Å; Y349-L402 HydrophobicContact CE1-CD1 4.41Å; Y349-L402 HydrophobicContact CE2-CB 3.97Å; Y349-L402 HydrophobicContact CE2-CD1 4.07Å; Y349-L402 HydrophobicContact CG-CD1 4.48Å; Y349-L402 WeakPolarHBondContact OH-CA 3.41Å; Y349-L402 PolarHBondContact OH-N 3.27Å; Y349-L402 VanDerWaalsContact OH-N 3.1Å; L352-L402 HydrophobicContact CD1-CD1 3.64Å; M374-L402 HydrophobicContact CE-CD2 3.75Å; G398-L402 PolarHBondContact O-N 3.2Å; A399-L402 PolarHBondContact O-N 3.18Å; A399-L402 VanDerWaalsContact O-N 3.08Å; L400-L402 PolarHBondContact O-N 3.03Å; L402-A404 PolarHBondContact O-N 3.07Å; L402-D405 WeakPolarHBondContact O-CB 3.29Å; L402-D405 PolarHBondContact O-N 2.93Å; L402-D405 VanDerWaalsContact O-N 3.09Å; L402-L406 HydrophobicContact CD1-CD1 4.29Å; L402-L406 HydrophobicContact CD1-CG 4.33Å; L402-L406 HydrophobicContact CD2-CD1 4.42Å; L402-L406 HydrophobicContact CG-CD1 3.99Å; L402-L406 HydrophobicContact CG-CG 4.35Å; L402-L406 WeakPolarHBondContact O-CG 3.15Å; L402-L406 PolarHBondContact O-N 3.09Å
403F98.8Very high98.2Very high3 Ų320.3 Ų20.31%0.01310%0.096CC..Hα-helixtrans-62.5-33.5179.1-77.1-72.2000112.1F27 K30 T31 L34 A371 M374 A399 L400 S407F27-F403 HydrophobicContact CB-CD1 4.33Å; F27-F403 AromaticContact CD1-CD1 3.73Å; F27-F403 HydrophobicContact CD1-CD1 3.73Å; F27-F403 AromaticContact CD1-CE1 3.94Å; F27-F403 HydrophobicContact CD1-CE1 3.94Å; F27-F403 HydrophobicContact CE1-CE1 4.4Å; F27-F403 HydrophobicContact CG-CD1 4.39Å; K30-F403 HydrophobicContact CB-CD1 4.06Å; K30-F403 HydrophobicContact CB-CE1 4.33Å; K30-F403 HydrophobicContact CB-CG 4.26Å; K30-F403 HydrophobicContact CG-CD1 3.91Å; K30-F403 HydrophobicContact CG-CD2 3.9Å; K30-F403 HydrophobicContact CG-CE1 3.88Å; K30-F403 HydrophobicContact CG-CE2 3.9Å; K30-F403 HydrophobicContact CG-CG 3.92Å; K30-F403 HydrophobicContact CG-CZ 3.88Å; T31-F403 VanDerWaalsContact OG1-CB 3.28Å; T31-F403 WeakPolarHBondContact OG1-CB 3.21Å; T31-F403 PolarHBondContact OG1-O 2.79Å; L34-F403 HydrophobicContact CD1-CD2 3.56Å; L34-F403 HydrophobicContact CD1-CE2 4.08Å; L34-F403 HydrophobicContact CD1-CG 4.43Å; A371-F403 HydrophobicContact CB-CD1 4.44Å; A371-F403 HydrophobicContact CB-CE1 3.83Å; A371-F403 HydrophobicContact CB-CZ 4.28Å; A371-F403 WeakPolarHBondContact O-CZ 3.44Å; M374-F403 HydrophobicContact CB-CZ 4.41Å; M374-F403 HydrophobicContact CE-CE2 3.64Å; M374-F403 HydrophobicContact CE-CZ 3.84Å; A399-F403 HydrophobicContact CB-CD2 4.42Å; A399-F403 HydrophobicContact CB-CE2 4.44Å; A399-F403 WeakPolarHBondContact O-CD2 3.32Å; A399-F403 PolarHBondContact O-N 3.42Å; L400-F403 PolarHBondContact O-N 2.9Å; F403-S407 WeakPolarHBondContact O-CB 3.39Å; F403-S407 PolarHBondContact O-N 3.19Å; F403-S407 PolarHBondContact O-OG 3.28Å
404A98.8Very high98.1Very high0 Ų021.4 Ų21.40%010%0.102CC..Hα-helixtrans-63.7-43.217300000111.6T31 A67 K70 F73 L400 C401 L402 S407T31-A404 HydrophobicContact CG2-CB 3.8Å; T31-A404 PolarHBondContact OG1-N 3.36Å; T31-A404 VanDerWaalsContact OG1-N 3.17Å; A67-A404 HydrophobicContact CB-CB 3.6Å; K70-A404 HydrophobicContact CG-CB 4.21Å; F73-A404 HydrophobicContact CE2-CB 4.03Å; L400-A404 VanDerWaalsContact O-CB 3.31Å; L400-A404 WeakPolarHBondContact O-CB 3.5Å; L400-A404 PolarHBondContact O-N 3.25Å; C401-A404 WeakPolarHBondContact O-CB 3.42Å; C401-A404 PolarHBondContact O-N 3.12Å; L402-A404 PolarHBondContact O-N 3.07Å; A404-S407 PolarHBondContact O-N 2.9Å; A404-S407 PolarHBondContact O-OG 3.27Å
405D98.7Very high98.1Very high1 Ų120.6 Ų20.61%0.00510%0.098CC..Hα-helixtrans-64.1-45.5176.3-84.3-23.8000112.7Y66 K70 Y349 C401 L402 S407 D408 S413 E414Y66-D405 VanDerWaalsContact OH-CG 3.23Å; Y66-D405 PolarHBondContact OH-OD1 3.39Å; Y66-D405 PolarHBondContact OH-OD2 3.33Å; K70-D405 WeakPolarHBondContact CE-OD1 3.48Å; K70-D405 IonicContact NZ-OD1 3.55Å; K70-D405 PolarHBondContact NZ-OD1 3.15Å; Y349-D405 WeakPolarHBondContact CE1-OD2 3.38Å; Y349-D405 PolarHBondContact OH-OD2 3Å; C401-D405 PolarHBondContact O-N 2.91Å; L402-D405 WeakPolarHBondContact O-CB 3.29Å; L402-D405 PolarHBondContact O-N 2.93Å; L402-D405 VanDerWaalsContact O-N 3.09Å; D405-S407 PolarHBondContact O-N 3.43Å; D405-D408 PolarHBondContact O-N 2.98Å; D405-D408 VanDerWaalsContact O-N 3.11Å; D405-S413 WeakPolarHBondContact OD2-CA 3.4Å; D405-S413 WeakPolarHBondContact OD2-CB 3.44Å; D405-E414 PolarHBondContact OD2-N 2.95Å
406L98.5Very high98.2Very high0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-67.5-23178.1-62.2177.8000112.8F27 L352 A367 F368 A371 L402 D408F27-L406 HydrophobicContact CB-CB 4.38Å; F27-L406 HydrophobicContact CD2-CB 3.69Å; F27-L406 HydrophobicContact CE2-CB 4.1Å; F27-L406 HydrophobicContact CG-CB 4Å; L352-L406 HydrophobicContact CD1-CD2 4.21Å; L352-L406 HydrophobicContact CD2-CD2 3.86Å; A367-L406 HydrophobicContact CB-CD2 4.43Å; F368-L406 HydrophobicContact CD1-CD1 4.34Å; F368-L406 HydrophobicContact CD1-CD2 3.91Å; F368-L406 HydrophobicContact CE1-CB 4.35Å; F368-L406 HydrophobicContact CE1-CD2 3.81Å; A371-L406 HydrophobicContact CB-CD1 3.36Å; L402-L406 HydrophobicContact CD1-CD1 4.29Å; L402-L406 HydrophobicContact CD1-CG 4.33Å; L402-L406 HydrophobicContact CD2-CD1 4.42Å; L402-L406 HydrophobicContact CG-CD1 3.99Å; L402-L406 HydrophobicContact CG-CG 4.35Å; L402-L406 WeakPolarHBondContact O-CG 3.15Å; L402-L406 PolarHBondContact O-N 3.09Å; L406-D408 VanDerWaalsContact C-N 3.29Å
407S98.1Very high98.1Very high5 Ų518.7 Ų18.74%0.0359%0.088CC..THydrogen-bonded Turntrans-77.5-11.5174.1730000114.4P72 F73 F403 A404 D405P72-S407 VanDerWaalsContact CG-O 3.29Å; P72-S407 WeakPolarHBondContact CG-O 3.35Å; F73-S407 WeakPolarHBondContact CE2-OG 3.42Å; F403-S407 WeakPolarHBondContact O-CB 3.39Å; F403-S407 PolarHBondContact O-N 3.19Å; F403-S407 PolarHBondContact O-OG 3.28Å; A404-S407 PolarHBondContact O-N 2.9Å; A404-S407 PolarHBondContact O-OG 3.27Å; D405-S407 PolarHBondContact O-N 3.43Å
408D97.2Very high98Very high25 Ų2518.9 Ų18.913%0.1349%0.089CC..SBendtrans-113.9-139.7-177.1-158.9-3.6000110.6K24 K70 S71 P72 D405 L406 P410K24-D408 PolarHBondContact NZ-O 2.94Å; K70-D408 WeakPolarHBondContact CA-OD2 3.32Å; K70-D408 HydrophobicContact CB-CB 4.17Å; K70-D408 WeakPolarHBondContact CB-OD2 3.38Å; K70-D408 HydrophobicContact CD-CB 4.37Å; S71-D408 PolarHBondContact N-OD2 2.94Å; S71-D408 PolarHBondContact OG-OD1 2.87Å; P72-D408 HydrophobicContact CG-CB 4.41Å; D405-D408 PolarHBondContact O-N 2.98Å; D405-D408 VanDerWaalsContact O-N 3.11Å; L406-D408 VanDerWaalsContact C-N 3.29Å; D408-P410 WeakPolarHBondContact O-CD 3.43Å
409D95.8Very high97.9Very high56 Ų5618.9 Ų18.930%0.2999%0.089SC..  trans-89.6111.6169.9179.92.8000110.5K411 K412D409-K411 PolarHBondContact O-N 3.41Å; D409-K411 VanDerWaalsContact O-N 3.08Å; D409-K411 WeakPolarHBondContact OD1-CB 3.28Å; D409-K411 PolarHBondContact OD1-N 3.11Å; D409-K412 HydrophobicContact CB-CD 4.09Å; D409-K412 HydrophobicContact CB-CG 4.16Å; D409-K412 WeakPolarHBondContact O-CB 3.35Å; D409-K412 PolarHBondContact O-N 3.39Å; D409-K412 WeakPolarHBondContact OD2-CE 3.43Å
410P96.3Very high97.9Very high9 Ų919 Ų196%0.0589%0.089CC..G310 helixtrans-57.7-23.8178.4-26.135.8000113.8L352 Y355 L364 D408 K412 S413L352-P410 HydrophobicContact CD2-CB 3.99Å; Y355-P410 HydrophobicContact CD1-CB 4.32Å; Y355-P410 HydrophobicContact CE1-CB 4.15Å; L364-P410 HydrophobicContact CD1-CB 3.72Å; L364-P410 HydrophobicContact CD1-CG 3.76Å; D408-P410 WeakPolarHBondContact O-CD 3.43Å; P410-K412 PolarHBondContact O-N 3.05Å; P410-S413 WeakPolarHBondContact O-CB 3.34Å; P410-S413 PolarHBondContact O-N 3.23Å; P410-S413 PolarHBondContact O-OG 3.35Å
411K96.6Very high97.8Very high120 Ų12021.4 Ų21.452%0.52210%0.1SC..G310 helixtrans-69.6-10.1174.7-65.3-172175.1-177.80113.7Y355 Q356 D409Y355-K411 HydrophobicContact CE1-CG 3.75Å; Q356-K411 PolarHBondContact OE1-O 3.36Å; D409-K411 PolarHBondContact O-N 3.41Å; D409-K411 VanDerWaalsContact O-N 3.08Å; D409-K411 WeakPolarHBondContact OD1-CB 3.28Å; D409-K411 PolarHBondContact OD1-N 3.11Å
412K96.7Very high97.4Very high137 Ų13726.8 Ų26.860%0.59613%0.127SC*.G310 helixtrans-107.87.6176.1-58.9-180-172.6169.30112.7D409 P410D409-K412 HydrophobicContact CB-CD 4.09Å; D409-K412 HydrophobicContact CB-CG 4.16Å; D409-K412 WeakPolarHBondContact O-CB 3.35Å; D409-K412 PolarHBondContact O-N 3.39Å; D409-K412 WeakPolarHBondContact OD2-CE 3.43Å; P410-K412 PolarHBondContact O-N 3.05Å
413S98.3Very high97.3Very high4 Ų428.2 Ų28.23%0.02813%0.134CC..  trans-69.5147.5177.362.50000111.6L352 Q356 D405 P410L352-S413 WeakPolarHBondContact CB-OG 3.38Å; Q356-S413 PolarHBondContact NE2-O 2.69Å; Q356-S413 PolarHBondContact NE2-OG 3.29Å; D405-S413 WeakPolarHBondContact OD2-CA 3.4Å; D405-S413 WeakPolarHBondContact OD2-CB 3.44Å; P410-S413 WeakPolarHBondContact O-CB 3.34Å; P410-S413 PolarHBondContact O-N 3.23Å; P410-S413 PolarHBondContact O-OG 3.35Å
414E98.4Very high97.2Very high26 Ų2629.5 Ų29.512%0.12114%0.14CC..  trans-144.3129.1-178.9-179.2173.692.700108.8Y66 K170 K171 Y349 D405 P416 P419Y66-E414 HydrophobicContact CE2-CB 4.43Å; Y66-E414 PolarHBondContact OH-N 3.32Å; Y66-E414 VanDerWaalsContact OH-N 3.14Å; Y66-E414 PolarHBondContact OH-O 3.31Å; K170-E414 WeakPolarHBondContact CE-OE2 3.35Å; K170-E414 IonicContact NZ-OE2 2.69Å; K170-E414 PolarHBondContact NZ-OE2 3.14Å; K171-E414 IonicContact NZ-OE1 2.79Å; K171-E414 PolarHBondContact NZ-OE1 3.15Å; Y349-E414 VanDerWaalsContact CE1-O 3.29Å; Y349-E414 WeakPolarHBondContact CE1-O 3.41Å; D405-E414 PolarHBondContact OD2-N 2.95Å; E414-P416 WeakPolarHBondContact O-CD 3.27Å; E414-P419 HydrophobicContact CG-CB 4.36Å; E414-P419 WeakPolarHBondContact OE2-CB 3.42Å
415F98.7Very high97.1Very high3 Ų331.1 Ų31.11%0.01315%0.148CC..  trans-57.8123.8170.5-171.2-72.4000108.4W294 L303 I340 Y349 F393 L417 F418W294-F415 HydrophobicContact CB-CE2 4.4Å; W294-F415 HydrophobicContact CB-CZ 4.22Å; W294-F415 AromaticContact CD1-CE2 3.76Å; W294-F415 AromaticContact CD1-CZ 3.5Å; W294-F415 VanDerWaalsContact CD1-CZ 3.5Å; W294-F415 HydrophobicContact CD2-CE1 4.49Å; W294-F415 HydrophobicContact CD2-CZ 4.02Å; W294-F415 HydrophobicContact CG-CE1 4.48Å; W294-F415 HydrophobicContact CG-CE2 4.11Å; W294-F415 AromaticContact CG-CZ 3.66Å; W294-F415 HydrophobicContact CG-CZ 3.66Å; W294-F415 AromaticContact NE1-CE1 3.91Å; W294-F415 AromaticContact NE1-CZ 3.76Å; L303-F415 HydrophobicContact CD1-CB 4.23Å; L303-F415 HydrophobicContact CD1-CD1 4.49Å; L303-F415 HydrophobicContact CD1-CD2 3.6Å; L303-F415 HydrophobicContact CD1-CE2 4.03Å; L303-F415 HydrophobicContact CD1-CG 3.87Å; I340-F415 HydrophobicContact CB-CE1 4.46Å; I340-F415 HydrophobicContact CB-CE2 4.16Å; I340-F415 HydrophobicContact CB-CZ 3.83Å; I340-F415 HydrophobicContact CD1-CE1 3.88Å; I340-F415 HydrophobicContact CD1-CZ 4.11Å; I340-F415 HydrophobicContact CG1-CE1 4.38Å; I340-F415 HydrophobicContact CG1-CZ 4.11Å; I340-F415 WeakPolarHBondContact O-CZ 3.36Å; Y349-F415 HydrophobicContact CD1-CB 4.34Å; Y349-F415 AromaticContact CD2-CD2 3.99Å; Y349-F415 HydrophobicContact CD2-CD2 3.99Å; Y349-F415 HydrophobicContact CD2-CE2 4.49Å; Y349-F415 HydrophobicContact CG-CB 4.3Å; Y349-F415 AromaticContact CG-CD2 3.91Å; Y349-F415 HydrophobicContact CG-CD2 3.91Å; Y349-F415 HydrophobicContact CG-CG 4.44Å; F393-F415 HydrophobicContact CE1-CE1 4.39Å; F415-L417 PolarHBondContact O-N 3.23Å; F415-F418 HydrophobicContact CB-CB 4.38Å; F415-F418 HydrophobicContact CD1-CB 3.48Å; F415-F418 VanDerWaalsContact CD1-CB 3.48Å; F415-F418 HydrophobicContact CD1-CG 4.38Å; F415-F418 HydrophobicContact CE1-CB 4.12Å; F415-F418 HydrophobicContact CG-CB 4.24Å; F415-F418 PolarHBondContact O-N 3.46Å
416P98.6Very high97.1Very high0 Ų032.9 Ų32.90%016%0.156CC..THydrogen-bonded Turntrans-48.3124.2-175.3-35.440000112.9Y62 I340 Y349 L392 C401 E414 F418Y62-P416 HydrophobicContact CE1-CB 3.83Å; I340-P416 HydrophobicContact CD1-CB 3.68Å; I340-P416 HydrophobicContact CD1-CG 3.81Å; Y349-P416 HydrophobicContact CE2-CG 4.45Å; L392-P416 HydrophobicContact CD1-CB 3.9Å; L392-P416 HydrophobicContact CD1-CG 4.19Å; L392-P416 HydrophobicContact CD2-CB 4.41Å; C401-P416 HydrophobicContact CB-CG 3.78Å; E414-P416 WeakPolarHBondContact O-CD 3.27Å; P416-F418 PolarHBondContact O-N 2.95Å
417L97.8Very high97Very high2 Ų234.9 Ų34.91%0.0117%0.166CC..THydrogen-bonded Turntrans64.14.5176.3-58.1166.8000115.8L53 Y62 F107 L108 N167 L392 F393 F415 P419L53-L417 HydrophobicContact CB-CD1 3.96Å; L53-L417 HydrophobicContact CD1-CD1 3.53Å; L53-L417 HydrophobicContact CD1-CD2 4.07Å; L53-L417 HydrophobicContact CD1-CG 4.46Å; L53-L417 HydrophobicContact CG-CD1 4.37Å; Y62-L417 HydrophobicContact CD1-CD1 4.46Å; Y62-L417 HydrophobicContact CD1-CD2 4.48Å; Y62-L417 HydrophobicContact CD1-CG 4.23Å; Y62-L417 HydrophobicContact CD2-CD2 3.75Å; Y62-L417 HydrophobicContact CD2-CG 4.38Å; Y62-L417 HydrophobicContact CE1-CD2 4.21Å; Y62-L417 HydrophobicContact CE1-CG 3.92Å; Y62-L417 HydrophobicContact CE2-CD2 3.38Å; Y62-L417 HydrophobicContact CE2-CG 4.03Å; Y62-L417 HydrophobicContact CG-CD2 4.26Å; Y62-L417 HydrophobicContact CG-CG 4.44Å; Y62-L417 PolarHBondContact OH-N 3.47Å; F107-L417 HydrophobicContact CE1-CB 3.98Å; F107-L417 HydrophobicContact CE2-CD2 4.2Å; F107-L417 HydrophobicContact CZ-CB 3.67Å; F107-L417 HydrophobicContact CZ-CD1 4.47Å; F107-L417 HydrophobicContact CZ-CD2 3.87Å; F107-L417 HydrophobicContact CZ-CG 4.21Å; L108-L417 HydrophobicContact CD2-CD1 3.99Å; N167-L417 PolarHBondContact ND2-O 2.67Å; L392-L417 HydrophobicContact CD2-CD1 3.69Å; F393-L417 HydrophobicContact CE2-CD1 4.16Å; F415-L417 PolarHBondContact O-N 3.23Å; L417-P419 WeakPolarHBondContact O-CD 3.5Å
418F97.1Very high96.9Very high4 Ų436.9 Ų36.92%0.01818%0.175CC..  trans-130.164.6-173.7-152.3-113.7000111.2M154 A224 Q233 W294 L303 F415 P416M154-F418 HydrophobicContact CE-CE2 3.7Å; M154-F418 HydrophobicContact CG-CE2 4.39Å; M154-F418 HydrophobicContact SD-CD2 4.45Å; M154-F418 HydrophobicContact SD-CE2 4.05Å; A224-F418 HydrophobicContact CB-CE1 4.43Å; A224-F418 HydrophobicContact CB-CZ 4.08Å; Q233-F418 HydrophobicContact CB-CZ 4.12Å; Q233-F418 HydrophobicContact CG-CE1 4.2Å; Q233-F418 HydrophobicContact CG-CE2 4.47Å; Q233-F418 HydrophobicContact CG-CZ 3.95Å; Q233-F418 VanDerWaalsContact OE1-CZ 3.31Å; W294-F418 HydrophobicContact CZ2-CD2 4.11Å; W294-F418 HydrophobicContact CZ2-CE2 4.04Å; W294-F418 HydrophobicContact CZ2-CG 4.48Å; W294-F418 HydrophobicContact CZ2-CZ 4.32Å; W294-F418 AromaticContact NE1-CD1 3.66Å; W294-F418 AromaticContact NE1-CE1 3.55Å; L303-F418 HydrophobicContact CB-CD1 4.1Å; L303-F418 HydrophobicContact CB-CE1 3.84Å; L303-F418 HydrophobicContact CD1-CD1 3.58Å; L303-F418 HydrophobicContact CD1-CE1 3.93Å; L303-F418 HydrophobicContact CG-CD1 4.49Å; F415-F418 HydrophobicContact CB-CB 4.38Å; F415-F418 HydrophobicContact CD1-CB 3.48Å; F415-F418 VanDerWaalsContact CD1-CB 3.48Å; F415-F418 HydrophobicContact CD1-CG 4.38Å; F415-F418 HydrophobicContact CE1-CB 4.12Å; F415-F418 HydrophobicContact CG-CB 4.24Å; F415-F418 PolarHBondContact O-N 3.46Å; P416-F418 PolarHBondContact O-N 2.95Å
419P96.8Very high96.9Very high0 Ų037.8 Ų37.80%018%0.178CC..  trans-70.5140.9-169.131-37.6000112.9L166 K170 E414 L417L166-P419 HydrophobicContact CD2-CG 3.39Å; L166-P419 HydrophobicContact CG-CG 3.8Å; K170-P419 HydrophobicContact CD-CB 4.42Å; E414-P419 HydrophobicContact CG-CB 4.36Å; E414-P419 WeakPolarHBondContact OE2-CB 3.42Å; L417-P419 WeakPolarHBondContact O-CD 3.5Å
420I98Very high97Very high4 Ų436.4 Ų36.42%0.02117%0.168CC..SBendtrans-107.4-44.5179.3-53.8-52000111.5L303 A306 R307 V353L303-I420 HydrophobicContact CB-CD1 3.93Å; L303-I420 HydrophobicContact CD2-CG1 4.45Å; L303-I420 WeakPolarHBondContact O-CD1 3.41Å; A306-I420 HydrophobicContact CB-CG2 3.73Å; R307-I420 HydrophobicContact CB-CD1 4.5Å; R307-I420 HydrophobicContact CB-CG2 4.45Å; R307-I420 WeakPolarHBondContact CD-O 3.47Å; R307-I420 PolarHBondContact NH1-O 3.33Å; V353-I420 HydrophobicContact CG1-CG2 4.44Å; V353-I420 HydrophobicContact CG2-CG1 4.28Å
421F97Very high97Very high51 Ų5138.7 Ų38.722%0.22418%0.178CC..  trans-92.5103.8178.4-48.5-79.3000108K170 M310 V353 Q356 I357K170-F421 PolarHBondContact NZ-O 3.2Å; M310-F421 HydrophobicContact CE-CD1 4.17Å; M310-F421 HydrophobicContact CG-CD1 4.44Å; M310-F421 HydrophobicContact CG-CE1 4.45Å; M310-F421 HydrophobicContact SD-CD1 4.42Å; M310-F421 HydrophobicContact SD-CE1 4.28Å; V353-F421 HydrophobicContact CG1-CE2 4.5Å; V353-F421 HydrophobicContact CG1-CZ 4.2Å; V353-F421 HydrophobicContact CG2-CE2 4.36Å; Q356-F421 HydrophobicContact CB-CE1 4.17Å; Q356-F421 HydrophobicContact CB-CE2 3.8Å; Q356-F421 HydrophobicContact CB-CZ 3.44Å; Q356-F421 VanDerWaalsContact CB-CZ 3.44Å; Q356-F421 HydrophobicContact CG-CE2 4.21Å; Q356-F421 HydrophobicContact CG-CZ 4.34Å; I357-F421 HydrophobicContact CD1-CE1 4.49Å; I357-F421 HydrophobicContact CD1-CZ 4.44Å; I357-F421 HydrophobicContact CG1-CE1 3.84Å; I357-F421 HydrophobicContact CG1-CZ 3.96Å
422I90.3Very high97Very high113 Ų11331.3 Ų31.358%0.57915%0.146SC*.  trans-1050-173.4-59.5171.3000109L166 S237L166-I422 HydrophobicContact CD1-CD1 3.73Å; L166-I422 HydrophobicContact CD1-CG1 4.1Å; L166-I422 HydrophobicContact CD1-CG2 3.94Å; L166-I422 HydrophobicContact CD2-CD1 3.9Å; L166-I422 HydrophobicContact CG-CD1 4.42Å; S237-I422 WeakPolarHBondContact O-CD1 3.11Å

Retrieved 422 of 422 residues in 1222.4 ms (Link to these results)

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