A0A087X7Y8_POEFO Loading...

Progestin and adipoQ receptor family member 9

AlphaFold DB , UniProt , Accession A0A087X7Y8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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
1G55.7Low84.1Confident130 Ų13094.3 Ų94.3100%1.3456%0.559SS**  0132.9000000107.6
2Q63.7Low84.7Confident189 Ų18987.3 Ų87.388%0.88352%0.518SS*.PPolyproline II helixtrans-60.2143176.4-76.1179.8-24.300110.2L4Q2-L4 PolarHBondContact O-N 3.45Å
3P72.5Confident85.2Confident98 Ų9884.1 Ų84.164%0.63650%0.501SS*.PPolyproline II helixtrans-64132.4176.624.7-30.9000110.3
4L83.4Confident85.4Confident77 Ų7785.4 Ų85.440%0.40351%0.512SS..PPolyproline II helixtrans-51.9145.2177.4-70168.9000111.1Q2 Y30 R41Q2-L4 PolarHBondContact O-N 3.45Å; L4-Y30 HydrophobicContact CB-CE1 4.12Å; L4-Y30 HydrophobicContact CD1-CD1 3.74Å; L4-Y30 HydrophobicContact CD1-CE1 3.46Å; L4-Y30 VanDerWaalsContact CD1-CE1 3.46Å; L4-Y30 HydrophobicContact CD1-CE2 4.28Å; L4-Y30 HydrophobicContact CD1-CG 4.26Å; L4-Y30 HydrophobicContact CG-CE1 4.44Å; L4-R41 PolarHBondContact O-NH1 2.74Å; L4-R41 PolarHBondContact O-NH2 3.23Å
5P88.4Confident85.5Confident93 Ų9381.1 Ų81.160%0.60448%0.483SS*.PPolyproline II helixtrans-62.3149.1179.425.6-33.4000112.2
6L93.2Very high85.7Confident55 Ų5576.4 Ų76.429%0.28846%0.455SS..PPolyproline II helixtrans-88.4151.8166.7-61.8176.9000109.1Y25 R26 P42 T43L6-Y25 WeakPolarHBondContact CA-O 3.37Å; L6-R26 HydrophobicContact CD2-CG 4.17Å; L6-P42 VanDerWaalsContact CD1-O 3.25Å; L6-P42 WeakPolarHBondContact CD1-O 3.46Å; L6-T43 HydrophobicContact CD1-CG2 4.48Å; L6-T43 HydrophobicContact CD2-CG2 3.84Å
7L93.8Very high86.1Confident35 Ų3574 Ų7418%0.18344%0.441CS..BIsolated β-bridgetrans-116.7155.8-168-63.9-177.7000112.7D11 V12 G24 Y25 F27L7-D11 HydrophobicContact CB-CB 4.12Å; L7-D11 HydrophobicContact CD1-CB 4.45Å; L7-D11 HydrophobicContact CD2-CB 4.25Å; L7-V12 HydrophobicContact CB-CG1 3.88Å; L7-V12 HydrophobicContact CD1-CG1 3.76Å; L7-V12 HydrophobicContact CG-CG1 4.5Å; L7-G24 PolarHBondContact O-N 3.5Å; L7-Y25 PolarHBondContact N-O 2.62Å; L7-Y25 PolarHBondContact O-N 2.92Å; L7-F27 HydrophobicContact CD1-CB 3.62Å; L7-F27 HydrophobicContact CD1-CD2 3.36Å; L7-F27 HydrophobicContact CD1-CE2 4.41Å; L7-F27 HydrophobicContact CD1-CG 3.91Å
8S94.6Very high86.4Confident38 Ų3873.2 Ų73.227%0.26643%0.432SS..  trans-75.3158.6166.7-160.80000110K10 D11 L22S8-K10 PolarHBondContact O-N 3.02Å; S8-K10 VanDerWaalsContact O-N 3.17Å; S8-D11 VanDerWaalsContact CB-OD2 3.25Å; S8-D11 WeakPolarHBondContact CB-OD2 3.34Å; S8-D11 PolarHBondContact N-OD2 3.34Å; S8-D11 PolarHBondContact O-N 3.2Å; S8-L22 CarbonylContact C-O 3.54Å; S8-L22 WeakPolarHBondContact CA-O 3.25Å; S8-L22 PolarHBondContact OG-O 3.07Å
9D93.6Very high86.7Confident47 Ų4773.3 Ų73.325%0.25143%0.431SS..G310 helixtrans-49.4-32166.566.9-33.8000113.9D11 T17 L22 Y25D9-D11 VanDerWaalsContact C-N 3.33Å; D9-T17 HydrophobicContact CB-CG2 4.17Å; D9-T17 WeakPolarHBondContact O-CG2 3.33Å; D9-L22 PolarHBondContact N-O 2.87Å; D9-Y25 HydrophobicContact CB-CE2 3.92Å
10K93.3Very high87.1Confident178 Ų17873.3 Ų73.377%0.77443%0.425SS*.G310 helixtrans-72.4-23.2177.1-64.1178.5-173.9176.90114.1S8S8-K10 PolarHBondContact O-N 3.02Å; S8-K10 VanDerWaalsContact O-N 3.17Å
11D92.6Very high87.6Confident97 Ų9770.2 Ų70.252%0.51941%0.407SS..G310 helixtrans-99-0.4-173.4-53-47.1000112.4L7 S8 D9L7-D11 HydrophobicContact CB-CB 4.12Å; L7-D11 HydrophobicContact CD1-CB 4.45Å; L7-D11 HydrophobicContact CD2-CB 4.25Å; S8-D11 VanDerWaalsContact CB-OD2 3.25Å; S8-D11 WeakPolarHBondContact CB-OD2 3.34Å; S8-D11 PolarHBondContact N-OD2 3.34Å; S8-D11 PolarHBondContact O-N 3.2Å; D9-D11 VanDerWaalsContact C-N 3.33Å
12V91.6Very high89.5Confident11 Ų1167.2 Ų67.27%0.06736%0.36CS..SBendtrans-117.1154.7178-64.30000111.3L7 V16 T17 Y25L7-V12 HydrophobicContact CB-CG1 3.88Å; L7-V12 HydrophobicContact CD1-CG1 3.76Å; L7-V12 HydrophobicContact CG-CG1 4.5Å; V12-V16 HydrophobicContact CB-CB 4.36Å; V12-V16 HydrophobicContact CB-CG1 4.45Å; V12-V16 HydrophobicContact CG2-CB 4.38Å; V12-V16 HydrophobicContact CG2-CG1 4.47Å; V12-T17 HydrophobicContact CG2-CG2 3.65Å; V12-Y25 HydrophobicContact CG1-CG 4.46Å; V12-Y25 HydrophobicContact CG2-CD1 4.33Å; V12-Y25 HydrophobicContact CG2-CD2 4.29Å; V12-Y25 HydrophobicContact CG2-CG 4.08Å
13P90.8Very high91Very high45 Ų4560.7 Ų60.729%0.29234%0.335SS..  trans-56.7143.1176.5-25.634.5000111.7R15 V16 P28P13-R15 PolarHBondContact O-N 2.99Å; P13-V16 HydrophobicContact CB-CG2 4.34Å; P13-V16 HydrophobicContact CG-CG2 4.44Å; P13-V16 WeakPolarHBondContact O-CB 3.36Å; P13-V16 PolarHBondContact O-N 2.61Å; P13-P28 HydrophobicContact CG-CG 4.35Å
14P87.9Confident92.1Very high102 Ų10256.2 Ų56.266%0.66231%0.307SS*.THydrogen-bonded Turntrans-58.7-6.3177.2-25.733.8000115.3T17 R203P14-T17 PolarHBondContact O-OG1 3.04Å; P14-R203 PolarHBondContact O-NH2 3.1Å
15R86.8Confident92.7Very high21 Ų2152.6 Ų52.68%0.07929%0.288CS..THydrogen-bonded Turntrans-86.3-17.8174.4-160.1155.9-163.4-116.5-2.1114P13 E112 R199 Y361P13-R15 PolarHBondContact O-N 2.99Å; R15-E112 IonicContact CZ-OE1 2.78Å; R15-E112 VanDerWaalsContact CZ-OE1 3.32Å; R15-E112 IonicContact CZ-OE2 3.95Å; R15-E112 IonicContact NE-OE1 2.97Å; R15-E112 IonicContact NH1-OE1 3.65Å; R15-E112 PolarHBondContact NH1-OE1 3.49Å; R15-E112 IonicContact NH1-OE2 2.68Å; R15-E112 IonicContact NH2-OE1 3.33Å; R15-E112 PolarHBondContact NH2-OE1 2.89Å; R15-E112 IonicContact NH2-OE2 3.32Å; R15-E112 PolarHBondContact NH2-OE2 2.76Å; R15-R199 PolarHBondContact NH2-O 3.46Å; R15-Y361 WeakPolarHBondContact CD-OH 3.37Å; R15-Y361 VanDerWaalsContact CZ-CZ 3.43Å; R15-Y361 PolarHBondContact NE-OH 3.39Å; R15-Y361 PolarHBondContact NH1-OH 3.38Å; R15-Y361 VanDerWaalsContact NH1-OH 3.12Å
16V90Very high93Very high6 Ų648.5 Ų48.54%0.03626%0.26CS..THydrogen-bonded Turntrans-94.1-24.9179.5-178.80000111.1V12 P13 Y25 P28 L108 R111V12-V16 HydrophobicContact CB-CB 4.36Å; V12-V16 HydrophobicContact CB-CG1 4.45Å; V12-V16 HydrophobicContact CG2-CB 4.38Å; V12-V16 HydrophobicContact CG2-CG1 4.47Å; P13-V16 HydrophobicContact CB-CG2 4.34Å; P13-V16 HydrophobicContact CG-CG2 4.44Å; P13-V16 WeakPolarHBondContact O-CB 3.36Å; P13-V16 PolarHBondContact O-N 2.61Å; V16-Y25 HydrophobicContact CG1-CD1 4.07Å; V16-Y25 WeakPolarHBondContact O-CE1 3.25Å; V16-P28 HydrophobicContact CG2-CG 4.11Å; V16-L108 HydrophobicContact CG2-CD2 3.84Å; V16-R111 PolarHBondContact O-NH2 2.89Å
17T92.2Very high92.5Very high36 Ų3650.2 Ų50.222%0.22127%0.266CS..  trans-70.4142.7-176.758.40000113.2D9 V12 P14D9-T17 HydrophobicContact CB-CG2 4.17Å; D9-T17 WeakPolarHBondContact O-CG2 3.33Å; V12-T17 HydrophobicContact CG2-CG2 3.65Å; P14-T17 PolarHBondContact O-OG1 3.04Å
18E91.4Very high91.6Very high59 Ų5949.1 Ų49.128%0.27626%0.261SS..  trans-112.7153.2171.8-62.8-57.8163.200110.7F20 I21 Y25 R111 R206 Y207E18-F20 PolarHBondContact O-N 3.45Å; E18-I21 HydrophobicContact CB-CB 4.4Å; E18-I21 HydrophobicContact CB-CG1 4.15Å; E18-I21 PolarHBondContact O-N 3.36Å; E18-Y25 PolarHBondContact N-OH 3.26Å; E18-Y25 PolarHBondContact O-OH 2.63Å; E18-R111 IonicContact OE1-NH2 2.78Å; E18-R206 IonicContact OE2-CZ 3.46Å; E18-R206 IonicContact OE2-NH2 3.41Å; E18-R206 PolarHBondContact OE2-NH2 3.18Å; E18-Y207 PolarHBondContact OE2-OH 3.14Å
19N91.7Very high91.3Very high75 Ų7553.4 Ų53.440%0.40128%0.28SS..THydrogen-bonded Turntrans-62.9131.2-175.3-66.4-4.9000110.4I21N19-I21 PolarHBondContact O-N 3.08Å; N19-I21 VanDerWaalsContact O-N 3.17Å
20F94.9Very high91.2Very high74 Ų7451.8 Ų51.833%0.32527%0.271SS..THydrogen-bonded Turntrans66.92.1176.5-42.8-74.4000116.4E18 K269 E272 R273 P276 G277E18-F20 PolarHBondContact O-N 3.45Å; F20-K269 HydrophobicContact CD2-CB 3.87Å; F20-K269 HydrophobicContact CD2-CG 4.47Å; F20-K269 HydrophobicContact CE2-CB 3.88Å; F20-K269 HydrophobicContact CE2-CG 4.31Å; F20-E272 HydrophobicContact CB-CB 4.18Å; F20-E272 HydrophobicContact CB-CG 3.89Å; F20-E272 WeakPolarHBondContact CB-O 3.47Å; F20-E272 HydrophobicContact CD2-CG 4.34Å; F20-R273 HydrophobicContact CD2-CB 3.87Å; F20-R273 HydrophobicContact CD2-CG 4.35Å; F20-R273 HydrophobicContact CE1-CB 4.48Å; F20-R273 HydrophobicContact CE1-CG 4.07Å; F20-R273 HydrophobicContact CE2-CB 3.78Å; F20-R273 HydrophobicContact CE2-CG 3.81Å; F20-R273 HydrophobicContact CG-CB 4.29Å; F20-R273 HydrophobicContact CZ-CB 4.11Å; F20-R273 HydrophobicContact CZ-CG 3.66Å; F20-P276 HydrophobicContact CB-CB 4.36Å; F20-P276 HydrophobicContact CB-CG 4.41Å; F20-P276 HydrophobicContact CD1-CG 4.17Å; F20-G277 PolarHBondContact O-N 3.34Å
21I96.6Very high91.2Very high8 Ų845.9 Ų45.94%0.04125%0.252CS..  trans-95.2114.7174.1-55.8-61.5000108.8E18 N19 Y25 N44 E272 D280 H284E18-I21 HydrophobicContact CB-CB 4.4Å; E18-I21 HydrophobicContact CB-CG1 4.15Å; E18-I21 PolarHBondContact O-N 3.36Å; N19-I21 PolarHBondContact O-N 3.08Å; N19-I21 VanDerWaalsContact O-N 3.17Å; I21-Y25 WeakPolarHBondContact CB-OH 3.34Å; I21-Y25 HydrophobicContact CG2-CE2 4.01Å; I21-Y25 WeakPolarHBondContact O-CE2 3.37Å; I21-Y25 PolarHBondContact O-OH 3.2Å; I21-N44 HydrophobicContact CG2-CB 4.13Å; I21-E272 HydrophobicContact CD1-CB 4.21Å; I21-E272 HydrophobicContact CD1-CG 4.26Å; I21-D280 WeakPolarHBondContact CA-OD1 3.35Å; I21-D280 HydrophobicContact CG2-CB 4.27Å; I21-H284 HydrophobicContact CD1-CB 3.81Å
22L96.3Very high91.3Very high68 Ų6845.8 Ų45.836%0.35625%0.251SS..  trans-100.9-21.8-168.3-56.1-175.6000113.7S8 D9 P276 D280S8-L22 CarbonylContact C-O 3.54Å; S8-L22 WeakPolarHBondContact CA-O 3.25Å; S8-L22 PolarHBondContact OG-O 3.07Å; D9-L22 PolarHBondContact N-O 2.87Å; L22-P276 HydrophobicContact CD1-CB 4.1Å; L22-P276 HydrophobicContact CG-CB 4.41Å; L22-D280 PolarHBondContact N-OD1 3.25Å; L22-D280 PolarHBondContact N-OD2 3.39Å
23S96.3Very high91.4Very high51 Ų5154 Ų5436%0.35728%0.281SS..SBendtrans-149.3179-174.472.50000112.6D280S23-D280 WeakPolarHBondContact CA-OD2 3.28Å; S23-D280 WeakPolarHBondContact CB-OD2 3.46Å; S23-D280 PolarHBondContact N-OD2 2.88Å; S23-D280 PolarHBondContact OG-OD2 2.56Å
24G95Very high91.5Very high4 Ų454.4 Ų54.44%0.04128%0.28CS..  trans86.17.4176.800000114.3L7 N44L7-G24 PolarHBondContact O-N 3.5Å; G24-N44 PolarHBondContact O-N 2.83Å; G24-N44 PolarHBondContact O-OD1 2.97Å
25Y96.1Very high91.9Very high1 Ų149.5 Ų49.50%0.00425%0.249CC..BIsolated β-bridgetrans-72.7145.4179.7-66.8-84.4000112.2L6 L7 D9 V12 V16 E18 I21 N44L6-Y25 WeakPolarHBondContact CA-O 3.37Å; L7-Y25 PolarHBondContact N-O 2.62Å; L7-Y25 PolarHBondContact O-N 2.92Å; D9-Y25 HydrophobicContact CB-CE2 3.92Å; V12-Y25 HydrophobicContact CG1-CG 4.46Å; V12-Y25 HydrophobicContact CG2-CD1 4.33Å; V12-Y25 HydrophobicContact CG2-CD2 4.29Å; V12-Y25 HydrophobicContact CG2-CG 4.08Å; V16-Y25 HydrophobicContact CG1-CD1 4.07Å; V16-Y25 WeakPolarHBondContact O-CE1 3.25Å; E18-Y25 PolarHBondContact N-OH 3.26Å; E18-Y25 PolarHBondContact O-OH 2.63Å; I21-Y25 WeakPolarHBondContact CB-OH 3.34Å; I21-Y25 HydrophobicContact CG2-CE2 4.01Å; I21-Y25 WeakPolarHBondContact O-CE2 3.37Å; I21-Y25 PolarHBondContact O-OH 3.2Å; Y25-N44 VanDerWaalsContact CD1-ND2 3.26Å; Y25-N44 WeakPolarHBondContact CD1-ND2 3.18Å; Y25-N44 VanDerWaalsContact CE1-ND2 3.27Å; Y25-N44 WeakPolarHBondContact CE1-ND2 3.47Å
26R94.3Very high92.3Very high8 Ų853 Ų533%0.0327%0.268CS..PPolyproline II helixtrans-95.5134.8169.4-64.5171.5-67.6167.412.3109.1L6 Y30 S38 T43 H101 L102 N104L6-R26 HydrophobicContact CD2-CG 4.17Å; R26-Y30 HydrophobicContact CB-CE1 4.1Å; R26-Y30 HydrophobicContact CB-CE2 4.1Å; R26-Y30 HydrophobicContact CG-CE2 3.93Å; R26-S38 PolarHBondContact NH1-OG 3.24Å; R26-T43 HydrophobicContact CG-CG2 4.11Å; R26-H101 PolarHBondContact NH2-O 2.96Å; R26-L102 PolarHBondContact NH1-O 3.34Å; R26-N104 PolarHBondContact NH2-OD1 3.26Å
27F82.2Confident92.5Very high91 Ų9157.6 Ų57.640%0.39929%0.293SS..PPolyproline II helixtrans-67.7142.3178.3-164-106.6000111.2L7 N29 Y30 S105L7-F27 HydrophobicContact CD1-CB 3.62Å; L7-F27 HydrophobicContact CD1-CD2 3.36Å; L7-F27 HydrophobicContact CD1-CE2 4.41Å; L7-F27 HydrophobicContact CD1-CG 3.91Å; F27-N29 HydrophobicContact CD1-CB 4.22Å; F27-N29 PolarHBondContact O-N 2.98Å; F27-N29 VanDerWaalsContact O-N 3.07Å; F27-Y30 WeakPolarHBondContact O-CD1 3.41Å; F27-S105 VanDerWaalsContact O-O 3.14Å
28P76.3Confident92.6Very high12 Ų1256.1 Ų56.18%0.07828%0.283CS..THydrogen-bonded Turntrans-67105.7169.7-11.827.3000108.6P13 V16 S105 L108P13-P28 HydrophobicContact CG-CG 4.35Å; V16-P28 HydrophobicContact CG2-CG 4.11Å; P28-S105 WeakPolarHBondContact CA-O 3.38Å; P28-L108 HydrophobicContact CG-CD2 4.29Å
29N86.7Confident92.8Very high127 Ų12753.5 Ų53.568%0.67927%0.272SS*.THydrogen-bonded Turntrans157.513171.3-80.4-18.2000111.3F27 S31 S105 M106F27-N29 HydrophobicContact CD1-CB 4.22Å; F27-N29 PolarHBondContact O-N 2.98Å; F27-N29 VanDerWaalsContact O-N 3.07Å; N29-S31 PolarHBondContact O-N 3.32Å; N29-S105 PolarHBondContact N-O 3.46Å; N29-M106 WeakPolarHBondContact CA-O 3.47Å; N29-M106 PolarHBondContact N-O 2.98Å
30Y91.7Very high93Very high14 Ų1457.7 Ų57.76%0.05529%0.287CS..  trans-64137.7176.9-85.439.3000109.8L4 R26 F27 D34 S105 M106L4-Y30 HydrophobicContact CB-CE1 4.12Å; L4-Y30 HydrophobicContact CD1-CD1 3.74Å; L4-Y30 HydrophobicContact CD1-CE1 3.46Å; L4-Y30 VanDerWaalsContact CD1-CE1 3.46Å; L4-Y30 HydrophobicContact CD1-CE2 4.28Å; L4-Y30 HydrophobicContact CD1-CG 4.26Å; L4-Y30 HydrophobicContact CG-CE1 4.44Å; R26-Y30 HydrophobicContact CB-CE1 4.1Å; R26-Y30 HydrophobicContact CB-CE2 4.1Å; R26-Y30 HydrophobicContact CG-CE2 3.93Å; F27-Y30 WeakPolarHBondContact O-CD1 3.41Å; Y30-D34 HydrophobicContact CD2-CB 3.59Å; Y30-D34 HydrophobicContact CE2-CB 4.28Å; Y30-D34 HydrophobicContact CG-CB 3.98Å; Y30-S105 PolarHBondContact N-O 3.06Å; Y30-M106 WeakPolarHBondContact O-CA 3.41Å
31S93.4Very high93Very high54 Ų5457 Ų5738%0.37828%0.282SS..  trans-68.5162.6166.473.10000110.1N29 R33 D34 C35N29-S31 PolarHBondContact O-N 3.32Å; S31-R33 PolarHBondContact O-N 3.27Å; S31-R33 PolarHBondContact OG-N 3.49Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 PolarHBondContact N-OD2 3.5Å; S31-D34 VanDerWaalsContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 3.07Å; S31-D34 PolarHBondContact OG-N 2.78Å; S31-D34 PolarHBondContact OG-OD2 3.19Å; S31-C35 PolarHBondContact O-N 2.99Å
32L94.1Very high93Very high94 Ų9459.9 Ų59.949%0.49230%0.302SS..Hα-helixtrans-53.7-39.8173.417862000111.3D34 C35 L36 L103 M106L32-D34 PolarHBondContact O-N 2.83Å; L32-C35 WeakPolarHBondContact O-CB 3.11Å; L32-C35 PolarHBondContact O-N 3.43Å; L32-L36 HydrophobicContact CG-CD1 4.42Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 2.63Å; L32-L103 HydrophobicContact CD1-CD2 3.59Å; L32-M106 HydrophobicContact CB-CE 4.16Å; L32-M106 HydrophobicContact CD1-SD 4.31Å
33R94.1Very high93Very high183 Ų18356.7 Ų56.769%0.69129%0.285SS*.Hα-helixtrans-61.8-43.8176.9-176.2-176.1179.5-1762.5111.8S31 C35 L36 L37S31-R33 PolarHBondContact O-N 3.27Å; S31-R33 PolarHBondContact OG-N 3.49Å; R33-C35 VanDerWaalsContact C-N 3.33Å; R33-L36 PolarHBondContact O-N 3.01Å; R33-L37 HydrophobicContact CG-CD1 4.24Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 2.95Å
34D94.3Very high93Very high54 Ų5454.6 Ų54.629%0.28927%0.269SS..Hα-helixtrans-66-38.2178.8-58-47.2000111.3Y30 S31 L32 L37 S38Y30-D34 HydrophobicContact CD2-CB 3.59Å; Y30-D34 HydrophobicContact CE2-CB 4.28Å; Y30-D34 HydrophobicContact CG-CB 3.98Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 PolarHBondContact N-OD2 3.5Å; S31-D34 VanDerWaalsContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 3.07Å; S31-D34 PolarHBondContact OG-N 2.78Å; S31-D34 PolarHBondContact OG-OD2 3.19Å; L32-D34 PolarHBondContact O-N 2.83Å; D34-L37 PolarHBondContact O-N 3.17Å; D34-S38 WeakPolarHBondContact O-CB 3.34Å; D34-S38 PolarHBondContact O-N 2.98Å
35C95.1Very high93.1Very high0 Ų054.7 Ų54.70%027%0.269CS..Hα-helixtrans-59.5-51.1172.2-74.10000111.2S31 L32 R33 L37 S38 A39 L102 L103 S105 M106S31-C35 PolarHBondContact O-N 2.99Å; L32-C35 WeakPolarHBondContact O-CB 3.11Å; L32-C35 PolarHBondContact O-N 3.43Å; R33-C35 VanDerWaalsContact C-N 3.33Å; C35-L37 VanDerWaalsContact C-N 3.33Å; C35-L37 PolarHBondContact O-N 3.3Å; C35-S38 WeakPolarHBondContact O-CB 3.48Å; C35-S38 PolarHBondContact O-N 3.05Å; C35-S38 PolarHBondContact O-OG 3.45Å; C35-A39 PolarHBondContact O-N 2.76Å; C35-L102 WeakPolarHBondContact O-CD1 3.33Å; C35-L103 HydrophobicContact CB-CD2 4.05Å; C35-S105 PolarHBondContact SG-OG 3.25Å; C35-M106 VanDerWaalsContact SG-CG 3.51Å
36L95.1Very high93.1Very high93 Ų9355 Ų5549%0.48727%0.271SS..Hα-helixtrans-57.8-43.6178.2-67.5174.7000112.3L32 R33 S38 A39 L102L32-L36 HydrophobicContact CG-CD1 4.42Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 2.63Å; R33-L36 PolarHBondContact O-N 3.01Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 3.28Å; L36-A39 WeakPolarHBondContact O-CB 3.17Å; L36-A39 PolarHBondContact O-N 3.33Å; L36-L102 HydrophobicContact CD2-CD2 4.03Å
37L94.5Very high93.3Very high104 Ų10454.6 Ų54.655%0.54527%0.27SS..Hα-helixtrans-67.2-32.3176.6-69.2174.8000112.3R33 D34 C35 A39 F40R33-L37 HydrophobicContact CG-CD1 4.24Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 2.95Å; D34-L37 PolarHBondContact O-N 3.17Å; C35-L37 VanDerWaalsContact C-N 3.33Å; C35-L37 PolarHBondContact O-N 3.3Å; L37-A39 PolarHBondContact O-N 3.03Å; L37-F40 PolarHBondContact O-N 3.23Å; L37-F40 VanDerWaalsContact O-N 3.14Å
38S94.8Very high94Very high4 Ų450.5 Ų50.53%0.02825%0.252CS..Hα-helixtrans-66.6-18.9179.776.30000113.7R26 D34 C35 L36 F40 R41R26-S38 PolarHBondContact NH1-OG 3.24Å; D34-S38 WeakPolarHBondContact O-CB 3.34Å; D34-S38 PolarHBondContact O-N 2.98Å; C35-S38 WeakPolarHBondContact O-CB 3.48Å; C35-S38 PolarHBondContact O-N 3.05Å; C35-S38 PolarHBondContact O-OG 3.45Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 3.28Å; S38-F40 PolarHBondContact O-N 2.98Å; S38-R41 PolarHBondContact O-N 3.17Å; S38-R41 VanDerWaalsContact O-N 3.08Å; S38-R41 VanDerWaalsContact O-O 3.12Å
39A95.8Very high95Very high4 Ų450.5 Ų50.53%0.03325%0.251CS..THydrogen-bonded Turntrans-57.4-28.1171.400000112.7C35 L36 L37 F49 W50 L102C35-A39 PolarHBondContact O-N 2.76Å; L36-A39 WeakPolarHBondContact O-CB 3.17Å; L36-A39 PolarHBondContact O-N 3.33Å; L37-A39 PolarHBondContact O-N 3.03Å; A39-F49 HydrophobicContact CB-CD1 3.86Å; A39-F49 HydrophobicContact CB-CE1 3.68Å; A39-F49 HydrophobicContact CB-CZ 4.31Å; A39-W50 PolarHBondContact O-NE1 3.39Å; A39-L102 HydrophobicContact CB-CD1 3.84Å
40F95.8Very high95.6Very high164 Ų16447.5 Ų47.572%0.71923%0.23SC*.THydrogen-bonded Turntrans-102.56.8-179.3-58.8-82.4000113.2L37 S38 W50L37-F40 PolarHBondContact O-N 3.23Å; L37-F40 VanDerWaalsContact O-N 3.14Å; S38-F40 PolarHBondContact O-N 2.98Å; F40-W50 AromaticContact CD1-CZ2 3.89Å; F40-W50 HydrophobicContact CD1-CZ2 3.89Å; F40-W50 AromaticContact CE1-CH2 3.79Å; F40-W50 HydrophobicContact CE1-CH2 3.79Å; F40-W50 AromaticContact CE1-CZ2 3.43Å; F40-W50 HydrophobicContact CE1-CZ2 3.43Å; F40-W50 VanDerWaalsContact CE1-CZ2 3.43Å; F40-W50 HydrophobicContact CZ-CH2 4.09Å; F40-W50 AromaticContact CZ-CZ2 3.89Å; F40-W50 HydrophobicContact CZ-CZ2 3.89Å
41R94.6Very high95.9Very high58 Ų5848.2 Ų48.222%0.21924%0.236CC..SBendtrans-107.8142.8176.9-175.1-174.7-179.9-1778.9109.2L4 S38 T43 T46L4-R41 PolarHBondContact O-NH1 2.74Å; L4-R41 PolarHBondContact O-NH2 3.23Å; S38-R41 PolarHBondContact O-N 3.17Å; S38-R41 VanDerWaalsContact O-N 3.08Å; S38-R41 VanDerWaalsContact O-O 3.12Å; R41-T43 HydrophobicContact CB-CG2 4.31Å; R41-T43 HydrophobicContact CG-CG2 4.26Å; R41-T43 PolarHBondContact O-N 2.77Å; R41-T43 VanDerWaalsContact O-N 3.07Å; R41-T46 WeakPolarHBondContact O-CB 3.47Å; R41-T46 WeakPolarHBondContact O-CG2 3.35Å; R41-T46 PolarHBondContact O-OG1 2.79Å
42P95.8Very high96Very high70 Ų7046 Ų4646%0.45522%0.22SC..  trans-68.9106172.928-34.8000110.7L6 I281L6-P42 VanDerWaalsContact CD1-O 3.25Å; L6-P42 WeakPolarHBondContact CD1-O 3.46Å; P42-I281 HydrophobicContact CB-CD1 4.32Å; P42-I281 HydrophobicContact CB-CG2 3.84Å
43T96.3Very high96.2Very high0 Ų044.1 Ų44.10%021%0.207CC..  trans-130.1166.8175750000108.7L6 R26 R41 E45 T46L6-T43 HydrophobicContact CD1-CG2 4.48Å; L6-T43 HydrophobicContact CD2-CG2 3.84Å; R26-T43 HydrophobicContact CG-CG2 4.11Å; R41-T43 HydrophobicContact CB-CG2 4.31Å; R41-T43 HydrophobicContact CG-CG2 4.26Å; R41-T43 PolarHBondContact O-N 2.77Å; R41-T43 VanDerWaalsContact O-N 3.07Å; T43-E45 PolarHBondContact O-N 3.46Å; T43-E45 PolarHBondContact OG1-N 3.17Å; T43-T46 WeakPolarHBondContact CB-OG1 3.49Å; T43-T46 PolarHBondContact N-OG1 3.3Å; T43-T46 PolarHBondContact O-N 3.47Å; T43-T46 PolarHBondContact O-OG1 2.86Å; T43-T46 PolarHBondContact OG1-N 3.43Å; T43-T46 PolarHBondContact OG1-OG1 2.95Å
44N96.3Very high96.3Very high7 Ų739.7 Ų39.74%0.03720%0.197CC..THydrogen-bonded Turntrans-63.4-9.5176.872.9-43.7000114.3I21 G24 Y25 N48 D280 H284I21-N44 HydrophobicContact CG2-CB 4.13Å; G24-N44 PolarHBondContact O-N 2.83Å; G24-N44 PolarHBondContact O-OD1 2.97Å; Y25-N44 VanDerWaalsContact CD1-ND2 3.26Å; Y25-N44 WeakPolarHBondContact CD1-ND2 3.18Å; Y25-N44 VanDerWaalsContact CE1-ND2 3.27Å; Y25-N44 WeakPolarHBondContact CE1-ND2 3.47Å; N44-N48 PolarHBondContact O-ND2 3.16Å; N44-D280 VanDerWaalsContact CA-O 3.23Å; N44-D280 WeakPolarHBondContact CA-O 3.41Å; N44-D280 WeakPolarHBondContact CB-O 3.4Å; N44-H284 PolarHBondContact O-NE2 3.16Å
45E97.1Very high96.4Very high7 Ų737.4 Ų37.43%0.03319%0.185CC..THydrogen-bonded Turntrans-111-6.3-179.2-60.5-71.7-162.600113.1T43 G47 N48 F49 H101 N104T43-E45 PolarHBondContact O-N 3.46Å; T43-E45 PolarHBondContact OG1-N 3.17Å; E45-G47 PolarHBondContact O-N 3.03Å; E45-N48 PolarHBondContact O-N 2.97Å; E45-N48 PolarHBondContact OE2-ND2 2.98Å; E45-F49 PolarHBondContact O-N 3.15Å; E45-H101 IonicContact OE2-CE1 3.14Å; E45-H101 IonicContact OE2-CG 3.55Å; E45-H101 IonicContact OE2-ND1 2.71Å; E45-H101 PolarHBondContact OE2-ND1 3.39Å; E45-N104 PolarHBondContact OE1-ND2 3.28Å
46T97.4Very high96.6Very high6 Ų638.2 Ų38.24%0.03719%0.189CC..Hα-helixtrans-64.9-45.4-173.4-56.70000111.5R41 T43 F49 W50 W282R41-T46 WeakPolarHBondContact O-CB 3.47Å; R41-T46 WeakPolarHBondContact O-CG2 3.35Å; R41-T46 PolarHBondContact O-OG1 2.79Å; T43-T46 WeakPolarHBondContact CB-OG1 3.49Å; T43-T46 PolarHBondContact N-OG1 3.3Å; T43-T46 PolarHBondContact O-N 3.47Å; T43-T46 PolarHBondContact O-OG1 2.86Å; T43-T46 PolarHBondContact OG1-N 3.43Å; T43-T46 PolarHBondContact OG1-OG1 2.95Å; T46-F49 PolarHBondContact O-N 3.48Å; T46-W50 VanDerWaalsContact O-CD1 3.24Å; T46-W50 PolarHBondContact O-N 3.38Å; T46-W282 HydrophobicContact CG2-CH2 4.03Å; T46-W282 HydrophobicContact CG2-CZ2 4.38Å
47G97.4Very high96.7Very high1 Ų139.7 Ų39.71%0.0119%0.192CC..Hα-helixtrans-62.1-44.9173.800000111.9E45 F49 W50 T51E45-G47 PolarHBondContact O-N 3.03Å; G47-F49 VanDerWaalsContact C-N 3.29Å; G47-F49 PolarHBondContact O-N 3.18Å; G47-W50 PolarHBondContact O-N 3.33Å; G47-T51 WeakPolarHBondContact O-CB 3.33Å; G47-T51 VanDerWaalsContact O-CG2 3.27Å; G47-T51 WeakPolarHBondContact O-CG2 3.31Å; G47-T51 PolarHBondContact O-N 2.91Å; G47-T51 PolarHBondContact O-OG1 3.33Å
48N97.7Very high96.8Very high5 Ų537.9 Ų37.93%0.02718%0.182CC..Hα-helixtrans-60-38.2-179.8-55.4-31.6000112.4N44 E45 T51 H101 H284 Q287N44-N48 PolarHBondContact O-ND2 3.16Å; E45-N48 PolarHBondContact O-N 2.97Å; E45-N48 PolarHBondContact OE2-ND2 2.98Å; N48-T51 PolarHBondContact O-OG1 2.9Å; N48-H101 HydrophobicContact CB-CB 3.99Å; N48-H284 PolarHBondContact OD1-CE1 3.45Å; N48-H284 VanDerWaalsContact OD1-CE1 3.23Å; N48-Q287 WeakPolarHBondContact OD1-CG 3.45Å
49F98.2Very high96.9Very high12 Ų1238 Ų385%0.05318%0.182CC..Hα-helixtrans-62.8-55.7173.6169-104.6000111.7A39 E45 T46 G47 T51 H52 F53 S98 M99 L102A39-F49 HydrophobicContact CB-CD1 3.86Å; A39-F49 HydrophobicContact CB-CE1 3.68Å; A39-F49 HydrophobicContact CB-CZ 4.31Å; E45-F49 PolarHBondContact O-N 3.15Å; T46-F49 PolarHBondContact O-N 3.48Å; G47-F49 VanDerWaalsContact C-N 3.29Å; G47-F49 PolarHBondContact O-N 3.18Å; F49-T51 PolarHBondContact O-N 3.07Å; F49-H52 PolarHBondContact O-N 3.06Å; F49-F53 HydrophobicContact CD2-CB 4.47Å; F49-F53 HydrophobicContact CE1-CB 4.25Å; F49-F53 HydrophobicContact CE1-CD1 4.33Å; F49-F53 HydrophobicContact CE1-CG 4.25Å; F49-F53 HydrophobicContact CE2-CB 4.03Å; F49-F53 HydrophobicContact CE2-CD2 4.06Å; F49-F53 HydrophobicContact CE2-CG 4.07Å; F49-F53 HydrophobicContact CZ-CB 3.91Å; F49-F53 HydrophobicContact CZ-CD1 4.02Å; F49-F53 AromaticContact CZ-CD2 3.92Å; F49-F53 HydrophobicContact CZ-CD2 3.92Å; F49-F53 HydrophobicContact CZ-CE2 4.46Å; F49-F53 AromaticContact CZ-CG 3.67Å; F49-F53 HydrophobicContact CZ-CG 3.67Å; F49-F53 VanDerWaalsContact O-CB 3.26Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.49Å; F49-S98 WeakPolarHBondContact CD2-O 3.49Å; F49-M99 HydrophobicContact CE2-CE 3.75Å; F49-L102 HydrophobicContact CD2-CB 3.9Å; F49-L102 HydrophobicContact CD2-CD1 4.3Å; F49-L102 HydrophobicContact CD2-CD2 4.22Å; F49-L102 HydrophobicContact CD2-CG 4.38Å; F49-L102 HydrophobicContact CE2-CB 4.31Å; F49-L102 HydrophobicContact CE2-CD2 3.82Å; F49-L102 HydrophobicContact CE2-CG 4.46Å; F49-L102 HydrophobicContact CZ-CD2 4.41Å
50W98.3Very high96.8Very high63 Ų6339.1 Ų39.124%0.23919%0.192CC..Hα-helixtrans-70.3-33.5-172.5-76.5110.1000113.6A39 F40 T46 G47 H52 F53 L54A39-W50 PolarHBondContact O-NE1 3.39Å; F40-W50 AromaticContact CD1-CZ2 3.89Å; F40-W50 HydrophobicContact CD1-CZ2 3.89Å; F40-W50 AromaticContact CE1-CH2 3.79Å; F40-W50 HydrophobicContact CE1-CH2 3.79Å; F40-W50 AromaticContact CE1-CZ2 3.43Å; F40-W50 HydrophobicContact CE1-CZ2 3.43Å; F40-W50 VanDerWaalsContact CE1-CZ2 3.43Å; F40-W50 HydrophobicContact CZ-CH2 4.09Å; F40-W50 AromaticContact CZ-CZ2 3.89Å; F40-W50 HydrophobicContact CZ-CZ2 3.89Å; T46-W50 VanDerWaalsContact O-CD1 3.24Å; T46-W50 PolarHBondContact O-N 3.38Å; G47-W50 PolarHBondContact O-N 3.33Å; W50-H52 PolarHBondContact O-N 3.36Å; W50-F53 AromaticContact CE3-CD1 3.89Å; W50-F53 HydrophobicContact CE3-CD1 3.89Å; W50-F53 AromaticContact CZ3-CD1 3.63Å; W50-F53 HydrophobicContact CZ3-CD1 3.63Å; W50-F53 HydrophobicContact CZ3-CE1 4.03Å; W50-F53 PolarHBondContact O-N 3.18Å; W50-L54 HydrophobicContact CE3-CD1 4.25Å; W50-L54 HydrophobicContact CE3-CD2 3.65Å; W50-L54 HydrophobicContact CE3-CG 3.75Å; W50-L54 HydrophobicContact CZ3-CD2 3.72Å; W50-L54 HydrophobicContact CZ3-CG 4.34Å; W50-L54 PolarHBondContact O-N 2.95Å
51T97.4Very high96.8Very high29 Ų2938 Ų3818%0.17818%0.184CC..Hα-helixtrans-65.5-22.3178.7530000112.9G47 N48 F49 P55 H290G47-T51 WeakPolarHBondContact O-CB 3.33Å; G47-T51 VanDerWaalsContact O-CG2 3.27Å; G47-T51 WeakPolarHBondContact O-CG2 3.31Å; G47-T51 PolarHBondContact O-N 2.91Å; G47-T51 PolarHBondContact O-OG1 3.33Å; N48-T51 PolarHBondContact O-OG1 2.9Å; F49-T51 PolarHBondContact O-N 3.07Å; T51-P55 VanDerWaalsContact O-CD 3.24Å; T51-P55 WeakPolarHBondContact O-CD 3.21Å; T51-P55 WeakPolarHBondContact O-CG 3.36Å; T51-H290 WeakPolarHBondContact OG1-CB 3.38Å
52H95.9Very high96.8Very high9 Ų938.5 Ų38.54%0.04219%0.186CC..Hα-helixtrans-101.4-30.7171.7-90.6-123000113.6F49 W50 P55 L94 S97 H290F49-H52 PolarHBondContact O-N 3.06Å; W50-H52 PolarHBondContact O-N 3.36Å; H52-P55 WeakPolarHBondContact O-CD 3.45Å; H52-L94 HydrophobicContact CB-CD2 4.36Å; H52-S97 VanDerWaalsContact ND1-CB 3.28Å; H52-S97 WeakPolarHBondContact ND1-CB 3.29Å; H52-S97 PolarHBondContact ND1-OG 2.99Å; H52-H290 AromaticContact CD2-CE1 3.8Å; H52-H290 AromaticContact CD2-CG 3.5Å; H52-H290 AromaticContact CD2-ND1 2.98Å; H52-H290 PolarHBondContact CD2-ND1 3.37Å; H52-H290 AromaticContact CE1-ND1 3.56Å; H52-H290 AromaticContact CG-ND1 3.85Å; H52-H290 AromaticContact NE2-CE1 3.76Å; H52-H290 AromaticContact NE2-CG 3.54Å; H52-H290 AromaticContact NE2-ND1 2.77Å; H52-H290 PolarHBondContact NE2-ND1 3.37Å
53F97.9Very high96.6Very high53 Ų5335.2 Ų35.223%0.23217%0.165CC..Hα-helixtrans-70.7-44.7-179.5-174.7-103.2000112.9F49 W50 I56 F57F49-F53 HydrophobicContact CD2-CB 4.47Å; F49-F53 HydrophobicContact CE1-CB 4.25Å; F49-F53 HydrophobicContact CE1-CD1 4.33Å; F49-F53 HydrophobicContact CE1-CG 4.25Å; F49-F53 HydrophobicContact CE2-CB 4.03Å; F49-F53 HydrophobicContact CE2-CD2 4.06Å; F49-F53 HydrophobicContact CE2-CG 4.07Å; F49-F53 HydrophobicContact CZ-CB 3.91Å; F49-F53 HydrophobicContact CZ-CD1 4.02Å; F49-F53 AromaticContact CZ-CD2 3.92Å; F49-F53 HydrophobicContact CZ-CD2 3.92Å; F49-F53 HydrophobicContact CZ-CE2 4.46Å; F49-F53 AromaticContact CZ-CG 3.67Å; F49-F53 HydrophobicContact CZ-CG 3.67Å; F49-F53 VanDerWaalsContact O-CB 3.26Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.49Å; W50-F53 AromaticContact CE3-CD1 3.89Å; W50-F53 HydrophobicContact CE3-CD1 3.89Å; W50-F53 AromaticContact CZ3-CD1 3.63Å; W50-F53 HydrophobicContact CZ3-CD1 3.63Å; W50-F53 HydrophobicContact CZ3-CE1 4.03Å; W50-F53 PolarHBondContact O-N 3.18Å; F53-I56 HydrophobicContact CD2-CD1 4.14Å; F53-I56 WeakPolarHBondContact O-CB 3.43Å; F53-I56 WeakPolarHBondContact O-CG1 3.34Å; F53-I56 PolarHBondContact O-N 2.69Å; F53-F57 HydrophobicContact CD1-CE2 4.25Å; F53-F57 AromaticContact CE1-CE2 3.8Å; F53-F57 HydrophobicContact CE1-CE2 3.8Å; F53-F57 HydrophobicContact CE1-CZ 4.13Å; F53-F57 HydrophobicContact CZ-CE2 4.2Å; F53-F57 HydrophobicContact CZ-CZ 4.14Å
54L97.2Very high96.3Very high90 Ų9040.4 Ų40.447%0.47119%0.192SC..THydrogen-bonded Turntrans-64.8-41.9-178.6-64.7176.1000113.5W50 I56 F57W50-L54 HydrophobicContact CE3-CD1 4.25Å; W50-L54 HydrophobicContact CE3-CD2 3.65Å; W50-L54 HydrophobicContact CE3-CG 3.75Å; W50-L54 HydrophobicContact CZ3-CD2 3.72Å; W50-L54 HydrophobicContact CZ3-CG 4.34Å; W50-L54 PolarHBondContact O-N 2.95Å; L54-I56 PolarHBondContact O-N 2.85Å; L54-F57 WeakPolarHBondContact O-CD2 3.24Å; L54-F57 PolarHBondContact O-N 3.27Å; L54-F57 VanDerWaalsContact O-N 3.15Å
55P97Very high96.1Very high6 Ų643.2 Ų43.24%0.03921%0.205CC..Hα-helixtrans-55.3-24.8176.8-33.640000115.5T51 H52 F57 I58 F59 L94 F294T51-P55 VanDerWaalsContact O-CD 3.24Å; T51-P55 WeakPolarHBondContact O-CD 3.21Å; T51-P55 WeakPolarHBondContact O-CG 3.36Å; H52-P55 WeakPolarHBondContact O-CD 3.45Å; P55-F57 PolarHBondContact O-N 2.92Å; P55-I58 WeakPolarHBondContact O-CB 3.26Å; P55-I58 PolarHBondContact O-N 2.94Å; P55-F59 HydrophobicContact CB-CD2 4.05Å; P55-F59 HydrophobicContact CB-CE2 4.01Å; P55-F59 WeakPolarHBondContact O-CD2 3.46Å; P55-F59 PolarHBondContact O-N 3.22Å; P55-L94 HydrophobicContact CB-CD1 3.98Å; P55-L94 HydrophobicContact CB-CD2 4.28Å; P55-F294 HydrophobicContact CB-CD2 3.5Å; P55-F294 HydrophobicContact CB-CE2 3.74Å; P55-F294 HydrophobicContact CB-CG 4.31Å; P55-F294 HydrophobicContact CG-CB 4.38Å; P55-F294 HydrophobicContact CG-CD2 3.59Å; P55-F294 HydrophobicContact CG-CE2 3.97Å; P55-F294 HydrophobicContact CG-CG 3.91Å
56I97.5Very high95.5Very high18 Ų1842.9 Ų42.99%0.09220%0.203CC..Hα-helixtrans-51.3-43.8176.9-64.7173.5000110.7F53 L54 A60 F91 L94 L95F53-I56 HydrophobicContact CD2-CD1 4.14Å; F53-I56 WeakPolarHBondContact O-CB 3.43Å; F53-I56 WeakPolarHBondContact O-CG1 3.34Å; F53-I56 PolarHBondContact O-N 2.69Å; L54-I56 PolarHBondContact O-N 2.85Å; I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.39Å; I56-A60 PolarHBondContact O-N 3.32Å; I56-F91 HydrophobicContact CG2-CD2 3.79Å; I56-F91 HydrophobicContact CG2-CE2 3.73Å; I56-L94 HydrophobicContact CD1-CB 4.2Å; I56-L94 HydrophobicContact CG1-CB 3.61Å; I56-L94 HydrophobicContact CG1-CD1 4.09Å; I56-L95 HydrophobicContact CD1-CB 4.31Å; I56-L95 HydrophobicContact CD1-CD1 4.43Å
57F97.3Very high94.9Very high124 Ų12444.7 Ų44.754%0.54421%0.21SC..Hα-helixtrans-71.5-34.7180-55.6-73.6000112.5F53 L54 P55 Y61F53-F57 HydrophobicContact CD1-CE2 4.25Å; F53-F57 AromaticContact CE1-CE2 3.8Å; F53-F57 HydrophobicContact CE1-CE2 3.8Å; F53-F57 HydrophobicContact CE1-CZ 4.13Å; F53-F57 HydrophobicContact CZ-CE2 4.2Å; F53-F57 HydrophobicContact CZ-CZ 4.14Å; L54-F57 WeakPolarHBondContact O-CD2 3.24Å; L54-F57 PolarHBondContact O-N 3.27Å; L54-F57 VanDerWaalsContact O-N 3.15Å; P55-F57 PolarHBondContact O-N 2.92Å; F57-Y61 WeakPolarHBondContact O-CB 3.47Å; F57-Y61 PolarHBondContact O-N 3.29Å
58I96.9Very high94.3Very high66 Ų6649.1 Ų49.134%0.33824%0.241SC..Hα-helixtrans-66.5-48.3177.6-60176.8000110P55 Y61 Y62 F294 L298P55-I58 WeakPolarHBondContact O-CB 3.26Å; P55-I58 PolarHBondContact O-N 2.94Å; I58-Y61 PolarHBondContact O-N 2.79Å; I58-Y62 HydrophobicContact CG2-CD2 3.8Å; I58-Y62 HydrophobicContact CG2-CE2 3.61Å; I58-Y62 VanDerWaalsContact O-CD2 3.24Å; I58-Y62 WeakPolarHBondContact O-CD2 3.46Å; I58-Y62 PolarHBondContact O-N 3.23Å; I58-Y62 VanDerWaalsContact O-N 3.09Å; I58-F294 HydrophobicContact CD1-CE2 4.34Å; I58-F294 HydrophobicContact CD1-CZ 3.98Å; I58-L298 HydrophobicContact CG2-CD1 4.45Å
59F96.4Very high93.5Very high5 Ų551.6 Ų51.62%0.02225%0.25CS..Hα-helixtrans-64.6-40.6176.9-77.3-75.2000112.1P55 Y61 Y62 F63 V90 L94 F294 I297 L298 L301P55-F59 HydrophobicContact CB-CD2 4.05Å; P55-F59 HydrophobicContact CB-CE2 4.01Å; P55-F59 WeakPolarHBondContact O-CD2 3.46Å; P55-F59 PolarHBondContact O-N 3.22Å; F59-Y61 VanDerWaalsContact C-N 3.33Å; F59-Y61 PolarHBondContact O-N 3.3Å; F59-Y62 PolarHBondContact O-N 2.8Å; F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 3.32Å; F59-V90 HydrophobicContact CB-CG1 4.28Å; F59-V90 HydrophobicContact CD1-CG1 3.84Å; F59-V90 HydrophobicContact CD2-CG1 3.88Å; F59-V90 HydrophobicContact CE1-CG1 4.14Å; F59-V90 HydrophobicContact CE2-CG1 4.12Å; F59-V90 HydrophobicContact CG-CG1 3.74Å; F59-V90 HydrophobicContact CZ-CG1 4.28Å; F59-L94 HydrophobicContact CD2-CD1 3.47Å; F59-L94 VanDerWaalsContact CD2-CD1 3.47Å; F59-L94 HydrophobicContact CE2-CD1 3.82Å; F59-L94 HydrophobicContact CG-CD1 4.42Å; F59-F294 AromaticContact CE2-CD2 3.67Å; F59-F294 HydrophobicContact CE2-CD2 3.67Å; F59-F294 AromaticContact CE2-CE2 3.9Å; F59-F294 HydrophobicContact CE2-CE2 3.9Å; F59-F294 HydrophobicContact CZ-CD2 4.11Å; F59-F294 HydrophobicContact CZ-CE2 4.29Å; F59-I297 HydrophobicContact CE1-CB 4.25Å; F59-I297 HydrophobicContact CE1-CG2 3.6Å; F59-I297 HydrophobicContact CE2-CG2 4.43Å; F59-I297 HydrophobicContact CZ-CB 3.76Å; F59-I297 HydrophobicContact CZ-CG2 3.51Å; F59-L298 HydrophobicContact CE1-CB 4.36Å; F59-L298 HydrophobicContact CE1-CD1 4.32Å; F59-L298 HydrophobicContact CZ-CB 4.14Å; F59-L301 HydrophobicContact CD1-CD2 3.77Å; F59-L301 HydrophobicContact CE1-CB 4.3Å; F59-L301 HydrophobicContact CE1-CD2 4.24Å
60A95.2Very high92.2Very high29 Ų2959.3 Ų59.324%0.2429%0.292CS..Hα-helixtrans-59-44.5174.700000111.7I56 F63 L64 F87I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.39Å; I56-A60 PolarHBondContact O-N 3.32Å; A60-F63 PolarHBondContact O-N 2.94Å; A60-L64 WeakPolarHBondContact O-CB 3.27Å; A60-L64 VanDerWaalsContact O-CG 3.25Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.23Å; A60-F87 HydrophobicContact CB-CE2 4.47Å; A60-F87 HydrophobicContact CB-CZ 4.28Å
61Y95.5Very high90.9Very high141 Ų14160 Ų6055%0.55332%0.319SS*.Hα-helixtrans-59-54.5176.4170.5-96.7000112.1F57 I58 F59 F63 L64 Q65F57-Y61 WeakPolarHBondContact O-CB 3.47Å; F57-Y61 PolarHBondContact O-N 3.29Å; I58-Y61 PolarHBondContact O-N 2.79Å; F59-Y61 VanDerWaalsContact C-N 3.33Å; F59-Y61 PolarHBondContact O-N 3.3Å; Y61-F63 VanDerWaalsContact C-N 3.31Å; Y61-F63 PolarHBondContact O-N 2.68Å; Y61-L64 PolarHBondContact O-N 3.35Å; Y61-Q65 WeakPolarHBondContact O-CB 3.48Å; Y61-Q65 PolarHBondContact O-N 2.99Å
62Y94.3Very high89.9Confident67 Ų6759.9 Ų59.926%0.26332%0.321SS..Hα-helixtrans-65.2-35.3-178.2-76-64.8000112.5I58 F59 L298 H302 Q305I58-Y62 HydrophobicContact CG2-CD2 3.8Å; I58-Y62 HydrophobicContact CG2-CE2 3.61Å; I58-Y62 VanDerWaalsContact O-CD2 3.24Å; I58-Y62 WeakPolarHBondContact O-CD2 3.46Å; I58-Y62 PolarHBondContact O-N 3.23Å; I58-Y62 VanDerWaalsContact O-N 3.09Å; F59-Y62 PolarHBondContact O-N 2.8Å; Y62-L298 HydrophobicContact CD2-CD1 3.83Å; Y62-L298 HydrophobicContact CE2-CD1 3.86Å; Y62-H302 AromaticContact CD1-NE2 3.86Å; Y62-H302 AromaticContact CE1-NE2 3.62Å; Y62-H302 AromaticContact CZ-NE2 3.81Å; Y62-Q305 PolarHBondContact O-NE2 2.84Å
63F91.2Very high89.3Confident2 Ų261.7 Ų61.71%0.00933%0.334CS..Hα-helixtrans-64.8-48.2175.3177.7-103000111.7F59 A60 Y61 Q65 M66 F67 M83 W84 F87F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 3.32Å; A60-F63 PolarHBondContact O-N 2.94Å; Y61-F63 VanDerWaalsContact C-N 3.31Å; Y61-F63 PolarHBondContact O-N 2.68Å; F63-Q65 VanDerWaalsContact C-N 3.31Å; F63-Q65 PolarHBondContact O-N 3.42Å; F63-M66 HydrophobicContact CD2-CE 4.41Å; F63-M66 HydrophobicContact CE2-CE 4.21Å; F63-M66 WeakPolarHBondContact O-CB 3.43Å; F63-M66 PolarHBondContact O-N 3.32Å; F63-F67 HydrophobicContact CD1-CE2 4Å; F63-F67 HydrophobicContact CD2-CE2 4.48Å; F63-F67 AromaticContact CE1-CE2 3.53Å; F63-F67 HydrophobicContact CE1-CE2 3.53Å; F63-F67 HydrophobicContact CE1-CZ 4.12Å; F63-F67 HydrophobicContact CE2-CE2 4.06Å; F63-F67 HydrophobicContact CE2-CZ 4.14Å; F63-F67 HydrophobicContact CG-CE2 4.46Å; F63-F67 AromaticContact CZ-CE2 3.56Å; F63-F67 HydrophobicContact CZ-CE2 3.56Å; F63-F67 AromaticContact CZ-CZ 3.69Å; F63-F67 HydrophobicContact CZ-CZ 3.69Å; F63-M83 HydrophobicContact CD2-CE 4.05Å; F63-M83 HydrophobicContact CD2-CG 4.32Å; F63-M83 HydrophobicContact CE2-CE 4.48Å; F63-M83 HydrophobicContact CE2-CG 3.85Å; F63-W84 HydrophobicContact CE1-CD2 4.3Å; F63-W84 AromaticContact CE1-CE3 3.86Å; F63-W84 HydrophobicContact CE1-CE3 3.86Å; F63-W84 AromaticContact CE1-CH2 3.63Å; F63-W84 HydrophobicContact CE1-CH2 3.63Å; F63-W84 HydrophobicContact CE1-CZ2 4.07Å; F63-W84 AromaticContact CE1-CZ3 3.51Å; F63-W84 HydrophobicContact CE1-CZ3 3.51Å; F63-W84 AromaticContact CZ-CD2 3.67Å; F63-W84 HydrophobicContact CZ-CD2 3.67Å; F63-W84 AromaticContact CZ-CE2 3.93Å; F63-W84 AromaticContact CZ-CE3 3.55Å; F63-W84 HydrophobicContact CZ-CE3 3.55Å; F63-W84 HydrophobicContact CZ-CG 4.33Å; F63-W84 HydrophobicContact CZ-CH2 4Å; F63-W84 HydrophobicContact CZ-CZ2 4.1Å; F63-W84 AromaticContact CZ-CZ3 3.73Å; F63-W84 HydrophobicContact CZ-CZ3 3.73Å; F63-F87 HydrophobicContact CB-CD2 3.47Å; F63-F87 VanDerWaalsContact CB-CD2 3.47Å; F63-F87 HydrophobicContact CB-CE2 3.6Å; F63-F87 HydrophobicContact CB-CG 4.26Å; F63-F87 HydrophobicContact CB-CZ 4.46Å; F63-F87 HydrophobicContact CD1-CB 4.4Å; F63-F87 AromaticContact CD1-CD1 3.83Å; F63-F87 HydrophobicContact CD1-CD1 3.83Å; F63-F87 AromaticContact CD1-CD2 3.7Å; F63-F87 HydrophobicContact CD1-CD2 3.7Å; F63-F87 AromaticContact CD1-CE1 3.97Å; F63-F87 HydrophobicContact CD1-CE1 3.97Å; F63-F87 AromaticContact CD1-CE2 3.84Å; F63-F87 HydrophobicContact CD1-CE2 3.84Å; F63-F87 AromaticContact CD1-CG 3.69Å; F63-F87 HydrophobicContact CD1-CG 3.69Å; F63-F87 AromaticContact CD1-CZ 3.97Å; F63-F87 HydrophobicContact CD1-CZ 3.97Å; F63-F87 HydrophobicContact CD2-CB 3.54Å; F63-F87 HydrophobicContact CD2-CD1 4.49Å; F63-F87 AromaticContact CD2-CD2 3.65Å; F63-F87 HydrophobicContact CD2-CD2 3.65Å; F63-F87 AromaticContact CD2-CG 3.63Å; F63-F87 HydrophobicContact CD2-CG 3.63Å; F63-F87 HydrophobicContact CE1-CB 4.28Å; F63-F87 AromaticContact CE1-CD1 3.71Å; F63-F87 HydrophobicContact CE1-CD1 3.71Å; F63-F87 HydrophobicContact CE1-CD2 4.31Å; F63-F87 HydrophobicContact CE1-CE1 4.11Å; F63-F87 AromaticContact CE1-CG 3.82Å; F63-F87 HydrophobicContact CE1-CG 3.82Å; F63-F87 HydrophobicContact CE2-CB 3.38Å; F63-F87 HydrophobicContact CE2-CD1 4.37Å; F63-F87 HydrophobicContact CE2-CD2 4.26Å; F63-F87 AromaticContact CE2-CG 3.76Å; F63-F87 HydrophobicContact CE2-CG 3.76Å; F63-F87 HydrophobicContact CG-CB 4.06Å; F63-F87 HydrophobicContact CG-CD1 4.22Å; F63-F87 AromaticContact CG-CD2 3.31Å; F63-F87 HydrophobicContact CG-CD2 3.31Å; F63-F87 AromaticContact CG-CE2 3.74Å; F63-F87 HydrophobicContact CG-CE2 3.74Å; F63-F87 AromaticContact CG-CG 3.59Å; F63-F87 HydrophobicContact CG-CG 3.59Å; F63-F87 HydrophobicContact CG-CZ 4.35Å; F63-F87 HydrophobicContact CZ-CB 3.79Å; F63-F87 HydrophobicContact CZ-CD1 4.01Å; F63-F87 AromaticContact CZ-CG 3.86Å; F63-F87 HydrophobicContact CZ-CG 3.86Å
64L90.9Very high88.7Confident108 Ų10865.2 Ų65.257%0.56536%0.355SS*.Hα-helixtrans-63.2-38.1177.9-70.4174000112.2A60 Y61 M66 F67 S68A60-L64 WeakPolarHBondContact O-CB 3.27Å; A60-L64 VanDerWaalsContact O-CG 3.25Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.23Å; Y61-L64 PolarHBondContact O-N 3.35Å; L64-M66 PolarHBondContact O-N 2.81Å; L64-M66 VanDerWaalsContact O-N 3.1Å; L64-F67 PolarHBondContact O-N 3.45Å; L64-F67 VanDerWaalsContact O-N 3.09Å; L64-S68 PolarHBondContact O-OG 3.35Å
65Q90.5Very high88.3Confident66 Ų6662.8 Ų62.831%0.30835%0.348SS..Hα-helixtrans-57.3-26.4177.1-171.2-177.915.900112.9Y61 F63 F67 S68 W69Y61-Q65 WeakPolarHBondContact O-CB 3.48Å; Y61-Q65 PolarHBondContact O-N 2.99Å; F63-Q65 VanDerWaalsContact C-N 3.31Å; F63-Q65 PolarHBondContact O-N 3.42Å; Q65-F67 VanDerWaalsContact C-N 3.3Å; Q65-F67 PolarHBondContact O-N 2.94Å; Q65-S68 PolarHBondContact O-N 3.4Å; Q65-W69 PolarHBondContact O-NE1 3.23Å; Q65-W69 VanDerWaalsContact O-NE1 3.08Å
66M85.4Confident87.8Confident0 Ų068.1 Ų68.10%038%0.376CS..Hα-helixtrans-64.6-33.7178.6-173.3-173.759.800112.8F63 L64 S68 W69 F80 M83 V308F63-M66 HydrophobicContact CD2-CE 4.41Å; F63-M66 HydrophobicContact CE2-CE 4.21Å; F63-M66 WeakPolarHBondContact O-CB 3.43Å; F63-M66 PolarHBondContact O-N 3.32Å; L64-M66 PolarHBondContact O-N 2.81Å; L64-M66 VanDerWaalsContact O-N 3.1Å; M66-S68 VanDerWaalsContact C-N 3.3Å; M66-W69 HydrophobicContact CB-CH2 4.4Å; M66-W69 HydrophobicContact CB-CZ2 4.34Å; M66-W69 HydrophobicContact CG-CH2 3.85Å; M66-W69 HydrophobicContact CG-CZ2 4.27Å; M66-W69 HydrophobicContact CG-CZ3 4.19Å; M66-F80 HydrophobicContact CE-CD1 3.7Å; M66-F80 HydrophobicContact CE-CE1 3.69Å; M66-F80 HydrophobicContact CG-CE1 4.41Å; M66-F80 HydrophobicContact SD-CD1 4.36Å; M66-F80 HydrophobicContact SD-CE1 3.98Å; M66-M83 HydrophobicContact CE-CB 4.35Å; M66-M83 HydrophobicContact CE-CE 4.31Å; M66-M83 HydrophobicContact CE-CG 3.53Å; M66-M83 HydrophobicContact SD-CE 3.79Å; M66-M83 HydrophobicContact SD-CG 3.76Å; M66-M83 HydrophobicContact SD-SD 4.24Å; M66-V308 HydrophobicContact SD-CG1 4.26Å
67F85.1Confident87.4Confident44 Ų4468.2 Ų68.219%0.19338%0.38CS..THydrogen-bonded Turntrans-85.3-6.2179.6-55.1-75.9000112.9F63 L64 Q65 W69 A75 F80 W84F63-F67 HydrophobicContact CD1-CE2 4Å; F63-F67 HydrophobicContact CD2-CE2 4.48Å; F63-F67 AromaticContact CE1-CE2 3.53Å; F63-F67 HydrophobicContact CE1-CE2 3.53Å; F63-F67 HydrophobicContact CE1-CZ 4.12Å; F63-F67 HydrophobicContact CE2-CE2 4.06Å; F63-F67 HydrophobicContact CE2-CZ 4.14Å; F63-F67 HydrophobicContact CG-CE2 4.46Å; F63-F67 AromaticContact CZ-CE2 3.56Å; F63-F67 HydrophobicContact CZ-CE2 3.56Å; F63-F67 AromaticContact CZ-CZ 3.69Å; F63-F67 HydrophobicContact CZ-CZ 3.69Å; L64-F67 PolarHBondContact O-N 3.45Å; L64-F67 VanDerWaalsContact O-N 3.09Å; Q65-F67 VanDerWaalsContact C-N 3.3Å; Q65-F67 PolarHBondContact O-N 2.94Å; F67-W69 VanDerWaalsContact C-N 3.33Å; F67-A75 HydrophobicContact CD1-CB 3.61Å; F67-A75 HydrophobicContact CE1-CB 3.72Å; F67-A75 HydrophobicContact CG-CB 4.14Å; F67-A75 HydrophobicContact CZ-CB 4.36Å; F67-F80 HydrophobicContact CD1-CD2 4.31Å; F67-F80 HydrophobicContact CD1-CE1 4.44Å; F67-F80 HydrophobicContact CD1-CE2 4.16Å; F67-F80 HydrophobicContact CD1-CZ 4.23Å; F67-F80 HydrophobicContact CE1-CB 4.17Å; F67-F80 AromaticContact CE1-CD1 3.8Å; F67-F80 HydrophobicContact CE1-CD1 3.8Å; F67-F80 AromaticContact CE1-CD2 3.85Å; F67-F80 HydrophobicContact CE1-CD2 3.85Å; F67-F80 HydrophobicContact CE1-CE1 4.08Å; F67-F80 HydrophobicContact CE1-CE2 4.11Å; F67-F80 AromaticContact CE1-CG 3.68Å; F67-F80 HydrophobicContact CE1-CG 3.68Å; F67-F80 HydrophobicContact CE1-CZ 4.22Å; F67-F80 HydrophobicContact CZ-CD1 4.47Å; F67-W84 HydrophobicContact CE2-CZ2 4.49Å; F67-W84 HydrophobicContact CZ-CZ2 4.26Å
68S84.6Confident87Confident94 Ų9465.5 Ų65.566%0.65737%0.374SS*.THydrogen-bonded Turntrans-90.710.3-178.7-530000113.4L64 Q65 M66L64-S68 PolarHBondContact O-OG 3.35Å; Q65-S68 PolarHBondContact O-N 3.4Å; M66-S68 VanDerWaalsContact C-N 3.3Å
69W79.8Confident86.5Confident57 Ų5764 Ų6422%0.21637%0.365CS..SBendtrans-86.5142.4179.3-58.4-16.7000111.8Q65 M66 F67 G71 A72 R309 L312Q65-W69 PolarHBondContact O-NE1 3.23Å; Q65-W69 VanDerWaalsContact O-NE1 3.08Å; M66-W69 HydrophobicContact CB-CH2 4.4Å; M66-W69 HydrophobicContact CB-CZ2 4.34Å; M66-W69 HydrophobicContact CG-CH2 3.85Å; M66-W69 HydrophobicContact CG-CZ2 4.27Å; M66-W69 HydrophobicContact CG-CZ3 4.19Å; F67-W69 VanDerWaalsContact C-N 3.33Å; W69-G71 PolarHBondContact O-N 3.09Å; W69-A72 HydrophobicContact CB-CB 4.41Å; W69-A72 WeakPolarHBondContact O-CB 3.43Å; W69-A72 PolarHBondContact O-N 3.35Å; W69-A72 VanDerWaalsContact O-N 3.11Å; W69-R309 HydrophobicContact CD2-CG 4.47Å; W69-R309 VanDerWaalsContact CE2-NH2 3.35Å; W69-R309 HydrophobicContact CE3-CG 3.73Å; W69-R309 HydrophobicContact CH2-CG 3.19Å; W69-R309 HydrophobicContact CZ2-CG 4Å; W69-R309 HydrophobicContact CZ3-CB 4.16Å; W69-R309 HydrophobicContact CZ3-CG 3.02Å; W69-L312 HydrophobicContact CE3-CD1 4.4Å; W69-L312 HydrophobicContact CZ3-CD1 4.45Å
70D71.2Confident86.3Confident174 Ų17463.8 Ų63.893%0.9336%0.364SS*.THydrogen-bonded Turntrans-61122.3174.8-63.3-42.3000110.3
71G71.3Confident86.2Confident79 Ų7964.4 Ų64.481%0.81436%0.361SS*.THydrogen-bonded Turntrans82.77.2-179.300000115.3W69W69-G71 PolarHBondContact O-N 3.09Å
72A77.4Confident86.2Confident25 Ų2557.7 Ų57.721%0.20733%0.334CS..PPolyproline II helixtrans-64.5139.6167.900000110.3W69W69-A72 HydrophobicContact CB-CB 4.41Å; W69-A72 WeakPolarHBondContact O-CB 3.43Å; W69-A72 PolarHBondContact O-N 3.35Å; W69-A72 VanDerWaalsContact O-N 3.11Å
73P82.4Confident86.2Confident48 Ų4854.5 Ų54.531%0.31232%0.322SS..PPolyproline II helixtrans-58.4161.4169.5-21.331.8000111.4A77 F80 L312P73-A77 HydrophobicContact CB-CB 3.86Å; P73-F80 HydrophobicContact CB-CE2 4.01Å; P73-F80 HydrophobicContact CG-CE2 4.27Å; P73-F80 WeakPolarHBondContact O-CE2 3.23Å; P73-L312 HydrophobicContact CG-CD2 4.04Å
74D86.6Confident86.4Confident126 Ų12658 Ų5867%0.67434%0.335SS*.PPolyproline II helixtrans-56.6148.1173.1-64.7-43.4000111.2D76 A77 F80D74-D76 WeakPolarHBondContact CB-OD1 3.13Å; D74-D76 PolarHBondContact O-N 3.17Å; D74-D76 VanDerWaalsContact O-N 3.1Å; D74-A77 WeakPolarHBondContact O-CB 3.43Å; D74-A77 PolarHBondContact O-N 2.74Å; D74-F80 WeakPolarHBondContact O-CD2 3.41Å
75A87.6Confident86.7Confident39 Ų3953.2 Ų53.232%0.32231%0.31SS..THydrogen-bonded Turntrans-65-17.2-173.400000114.1F67 W84F67-A75 HydrophobicContact CD1-CB 3.61Å; F67-A75 HydrophobicContact CE1-CB 3.72Å; F67-A75 HydrophobicContact CG-CB 4.14Å; F67-A75 HydrophobicContact CZ-CB 4.36Å; A75-W84 PolarHBondContact O-NE1 2.84Å
76D87.4Confident87Confident118 Ų11850.2 Ų50.263%0.63130%0.296SS*.THydrogen-bonded Turntrans-91.1-4.2175.368.3-29.8000113.2D74 Y81D74-D76 WeakPolarHBondContact CB-OD1 3.13Å; D74-D76 PolarHBondContact O-N 3.17Å; D74-D76 VanDerWaalsContact O-N 3.1Å; D76-Y81 WeakPolarHBondContact O-CE1 3.4Å
77A88Confident87.6Confident21 Ų2152 Ų5217%0.17430%0.304CS..SBendtrans-58.6138.9177.300000110.6P73 D74 F79 F80P73-A77 HydrophobicContact CB-CB 3.86Å; D74-A77 WeakPolarHBondContact O-CB 3.43Å; D74-A77 PolarHBondContact O-N 2.74Å; A77-F79 PolarHBondContact O-N 3.44Å; A77-F80 HydrophobicContact CB-CD2 4.43Å; A77-F80 PolarHBondContact O-N 3.42Å
78P88.7Confident88.2Confident66 Ų6653 Ų5343%0.42931%0.311SS..G310 helixtrans-52.9-32.5-179.1-27.633.7000113.6F80 Y81 P330P78-F80 PolarHBondContact O-N 2.93Å; P78-Y81 HydrophobicContact CB-CD2 4.17Å; P78-Y81 HydrophobicContact CB-CE2 3.89Å; P78-Y81 HydrophobicContact CG-CE2 4.3Å; P78-Y81 WeakPolarHBondContact O-CB 3.34Å; P78-Y81 PolarHBondContact O-N 2.83Å; P78-P330 WeakPolarHBondContact CB-O 3.46Å; P78-P330 WeakPolarHBondContact O-CB 3.46Å; P78-P330 WeakPolarHBondContact O-CG 3.41Å
79F87.7Confident88.8Confident35 Ų3548.8 Ų48.815%0.15428%0.282CS..G310 helixtrans-46.1-35.7173.3177.6-102.5000113.4A77 Y136 V308 I311 L312A77-F79 PolarHBondContact O-N 3.44Å; F79-Y136 HydrophobicContact CD2-CE1 4.33Å; F79-Y136 HydrophobicContact CE1-CE1 4.25Å; F79-Y136 HydrophobicContact CE2-CD1 4.26Å; F79-Y136 AromaticContact CE2-CE1 3.88Å; F79-Y136 HydrophobicContact CE2-CE1 3.88Å; F79-Y136 HydrophobicContact CZ-CD1 4.24Å; F79-Y136 AromaticContact CZ-CE1 3.83Å; F79-Y136 HydrophobicContact CZ-CE1 3.83Å; F79-Y136 WeakPolarHBondContact O-CE1 3.35Å; F79-Y136 PolarHBondContact O-OH 3.37Å; F79-V308 HydrophobicContact CE1-CG1 3.96Å; F79-V308 HydrophobicContact CZ-CG1 4.11Å; F79-I311 HydrophobicContact CE2-CG2 3.99Å; F79-I311 HydrophobicContact CZ-CG2 4.28Å; F79-L312 HydrophobicContact CE1-CD1 4.4Å; F79-L312 HydrophobicContact CE1-CD2 3.91Å; F79-L312 HydrophobicContact CE1-CG 4.21Å; F79-L312 HydrophobicContact CZ-CD2 4.08Å; F79-L312 HydrophobicContact CZ-CG 4.26Å
80F91.3Very high89.7Confident0 Ų046.1 Ų46.10%027%0.272CS..G310 helixtrans-92.7-3.2-178.1-70.1-64.3000114.9M66 F67 P73 D74 A77 P78 M83 W84 V308M66-F80 HydrophobicContact CE-CD1 3.7Å; M66-F80 HydrophobicContact CE-CE1 3.69Å; M66-F80 HydrophobicContact CG-CE1 4.41Å; M66-F80 HydrophobicContact SD-CD1 4.36Å; M66-F80 HydrophobicContact SD-CE1 3.98Å; F67-F80 HydrophobicContact CD1-CD2 4.31Å; F67-F80 HydrophobicContact CD1-CE1 4.44Å; F67-F80 HydrophobicContact CD1-CE2 4.16Å; F67-F80 HydrophobicContact CD1-CZ 4.23Å; F67-F80 HydrophobicContact CE1-CB 4.17Å; F67-F80 AromaticContact CE1-CD1 3.8Å; F67-F80 HydrophobicContact CE1-CD1 3.8Å; F67-F80 AromaticContact CE1-CD2 3.85Å; F67-F80 HydrophobicContact CE1-CD2 3.85Å; F67-F80 HydrophobicContact CE1-CE1 4.08Å; F67-F80 HydrophobicContact CE1-CE2 4.11Å; F67-F80 AromaticContact CE1-CG 3.68Å; F67-F80 HydrophobicContact CE1-CG 3.68Å; F67-F80 HydrophobicContact CE1-CZ 4.22Å; F67-F80 HydrophobicContact CZ-CD1 4.47Å; P73-F80 HydrophobicContact CB-CE2 4.01Å; P73-F80 HydrophobicContact CG-CE2 4.27Å; P73-F80 WeakPolarHBondContact O-CE2 3.23Å; D74-F80 WeakPolarHBondContact O-CD2 3.41Å; A77-F80 HydrophobicContact CB-CD2 4.43Å; A77-F80 PolarHBondContact O-N 3.42Å; P78-F80 PolarHBondContact O-N 2.93Å; F80-M83 HydrophobicContact CD1-CB 4.47Å; F80-M83 WeakPolarHBondContact O-CB 3.46Å; F80-M83 PolarHBondContact O-N 3.13Å; F80-M83 VanDerWaalsContact O-N 3.09Å; F80-W84 PolarHBondContact O-N 3.47Å; F80-V308 HydrophobicContact CE1-CG1 4.39Å
81Y93.9Very high91Very high42 Ų4241.7 Ų41.717%0.16525%0.245CC..Hα-helixtrans-56.1-44.6178.3-64.6-12.1000113.7D76 P78 M83 W84 N85 I332 Y336D76-Y81 WeakPolarHBondContact O-CE1 3.4Å; P78-Y81 HydrophobicContact CB-CD2 4.17Å; P78-Y81 HydrophobicContact CB-CE2 3.89Å; P78-Y81 HydrophobicContact CG-CE2 4.3Å; P78-Y81 WeakPolarHBondContact O-CB 3.34Å; P78-Y81 PolarHBondContact O-N 2.83Å; Y81-M83 VanDerWaalsContact C-N 3.3Å; Y81-M83 PolarHBondContact O-N 3.33Å; Y81-W84 PolarHBondContact O-N 2.8Å; Y81-N85 PolarHBondContact O-N 2.82Å; Y81-N85 VanDerWaalsContact O-N 3.08Å; Y81-N85 PolarHBondContact O-ND2 3.44Å; Y81-I332 HydrophobicContact CD2-CG1 4.43Å; Y81-I332 HydrophobicContact CE2-CG1 3.59Å; Y81-Y336 AromaticContact CD1-CE2 3.73Å; Y81-Y336 HydrophobicContact CD1-CE2 3.73Å; Y81-Y336 HydrophobicContact CD2-CD2 4.48Å; Y81-Y336 HydrophobicContact CD2-CE2 4.04Å; Y81-Y336 HydrophobicContact CE1-CE2 4.24Å; Y81-Y336 HydrophobicContact CG-CD2 4.42Å; Y81-Y336 AromaticContact CG-CE2 3.6Å; Y81-Y336 HydrophobicContact CG-CE2 3.6Å
82P94.4Very high92.2Very high0 Ų040.2 Ų40.20%022%0.222CC..Hα-helixtrans-61.3-39.7175.5-21.934.5000112.2N85 Y86 L131 Y135 Y136 P330 T335P82-N85 PolarHBondContact O-N 2.97Å; P82-Y86 PolarHBondContact O-N 3.46Å; P82-L131 HydrophobicContact CB-CB 4.46Å; P82-Y135 HydrophobicContact CB-CD2 3.85Å; P82-Y135 HydrophobicContact CB-CG 4.33Å; P82-Y135 HydrophobicContact CG-CD1 4.45Å; P82-Y135 HydrophobicContact CG-CD2 3.33Å; P82-Y135 HydrophobicContact CG-CE2 4.01Å; P82-Y135 HydrophobicContact CG-CG 3.6Å; P82-Y136 HydrophobicContact CB-CE2 4Å; P82-P330 HydrophobicContact CG-CB 3.81Å; P82-P330 HydrophobicContact CG-CG 4.34Å; P82-T335 HydrophobicContact CG-CG2 4.02Å
83M94.7Very high93.2Very high0 Ų039.5 Ų39.50%021%0.214CC..Hα-helixtrans-67.5-38178.8-165.164.6-176.900112.7F63 M66 F80 Y81 Y86 F87 Y136 L301 I304 Q305F63-M83 HydrophobicContact CD2-CE 4.05Å; F63-M83 HydrophobicContact CD2-CG 4.32Å; F63-M83 HydrophobicContact CE2-CE 4.48Å; F63-M83 HydrophobicContact CE2-CG 3.85Å; M66-M83 HydrophobicContact CE-CB 4.35Å; M66-M83 HydrophobicContact CE-CE 4.31Å; M66-M83 HydrophobicContact CE-CG 3.53Å; M66-M83 HydrophobicContact SD-CE 3.79Å; M66-M83 HydrophobicContact SD-CG 3.76Å; M66-M83 HydrophobicContact SD-SD 4.24Å; F80-M83 HydrophobicContact CD1-CB 4.47Å; F80-M83 WeakPolarHBondContact O-CB 3.46Å; F80-M83 PolarHBondContact O-N 3.13Å; F80-M83 VanDerWaalsContact O-N 3.09Å; Y81-M83 VanDerWaalsContact C-N 3.3Å; Y81-M83 PolarHBondContact O-N 3.33Å; M83-Y86 HydrophobicContact CE-CD1 4.34Å; M83-Y86 WeakPolarHBondContact O-CB 3.44Å; M83-Y86 PolarHBondContact O-N 3.08Å; M83-Y86 HydrophobicContact SD-CD1 4.29Å; M83-F87 WeakPolarHBondContact O-CB 3.21Å; M83-F87 PolarHBondContact O-N 3.42Å; M83-Y136 HydrophobicContact CB-CE2 3.91Å; M83-Y136 WeakPolarHBondContact CB-OH 3.38Å; M83-Y136 PolarHBondContact N-OH 3.2Å; M83-Y136 HydrophobicContact SD-CE2 4.39Å; M83-L301 HydrophobicContact CE-CD1 3.36Å; M83-I304 HydrophobicContact SD-CG2 3.76Å; M83-Q305 HydrophobicContact CE-CG 4.36Å
84W95.8Very high94Very high75 Ų7537.3 Ų37.328%0.28420%0.2SC..Hα-helixtrans-62.2-43171.4-85.1111.1000112F63 F67 A75 F80 Y81 Y86 F87 I88 Y336F63-W84 HydrophobicContact CE1-CD2 4.3Å; F63-W84 AromaticContact CE1-CE3 3.86Å; F63-W84 HydrophobicContact CE1-CE3 3.86Å; F63-W84 AromaticContact CE1-CH2 3.63Å; F63-W84 HydrophobicContact CE1-CH2 3.63Å; F63-W84 HydrophobicContact CE1-CZ2 4.07Å; F63-W84 AromaticContact CE1-CZ3 3.51Å; F63-W84 HydrophobicContact CE1-CZ3 3.51Å; F63-W84 AromaticContact CZ-CD2 3.67Å; F63-W84 HydrophobicContact CZ-CD2 3.67Å; F63-W84 AromaticContact CZ-CE2 3.93Å; F63-W84 AromaticContact CZ-CE3 3.55Å; F63-W84 HydrophobicContact CZ-CE3 3.55Å; F63-W84 HydrophobicContact CZ-CG 4.33Å; F63-W84 HydrophobicContact CZ-CH2 4Å; F63-W84 HydrophobicContact CZ-CZ2 4.1Å; F63-W84 AromaticContact CZ-CZ3 3.73Å; F63-W84 HydrophobicContact CZ-CZ3 3.73Å; F67-W84 HydrophobicContact CE2-CZ2 4.49Å; F67-W84 HydrophobicContact CZ-CZ2 4.26Å; A75-W84 PolarHBondContact O-NE1 2.84Å; F80-W84 PolarHBondContact O-N 3.47Å; Y81-W84 PolarHBondContact O-N 2.8Å; W84-Y86 VanDerWaalsContact C-N 3.34Å; W84-Y86 PolarHBondContact O-N 3.45Å; W84-F87 HydrophobicContact CE3-CD1 4.34Å; W84-F87 HydrophobicContact CZ3-CD1 4.23Å; W84-F87 PolarHBondContact O-N 2.88Å; W84-I88 WeakPolarHBondContact O-CB 3.38Å; W84-I88 WeakPolarHBondContact O-CD1 3.41Å; W84-I88 VanDerWaalsContact O-CG1 3.23Å; W84-I88 WeakPolarHBondContact O-CG1 3.34Å; W84-I88 PolarHBondContact O-N 3.44Å; W84-Y336 WeakPolarHBondContact CB-OH 3.5Å
85N96.9Very high94.5Very high8 Ų834.1 Ų34.14%0.04318%0.182CC..Hα-helixtrans-62.4-41.7175.7-78.9-79.5000111.8Y81 P82 G89 L131 Y336 M339Y81-N85 PolarHBondContact O-N 2.82Å; Y81-N85 VanDerWaalsContact O-N 3.08Å; Y81-N85 PolarHBondContact O-ND2 3.44Å; P82-N85 PolarHBondContact O-N 2.97Å; N85-G89 PolarHBondContact O-N 3.22Å; N85-L131 HydrophobicContact CB-CD1 4.24Å; N85-Y336 VanDerWaalsContact ND2-CD1 3.29Å; N85-Y336 WeakPolarHBondContact ND2-CD1 3.49Å; N85-Y336 WeakPolarHBondContact ND2-CE1 3.45Å; N85-Y336 WeakPolarHBondContact OD1-CD1 3.27Å; N85-M339 HydrophobicContact CB-CG 4.42Å; N85-M339 VanDerWaalsContact OD1-CG 3.3Å; N85-M339 WeakPolarHBondContact OD1-CG 3.49Å
86Y97.6Very high95Very high3 Ų332.9 Ų32.91%0.01217%0.172CC..Hα-helixtrans-58.2-51.5172.7176.5-99.3000111.8P82 M83 W84 G89 V90 Y125 A132 I297 E300 L301 I304P82-Y86 PolarHBondContact O-N 3.46Å; M83-Y86 HydrophobicContact CE-CD1 4.34Å; M83-Y86 WeakPolarHBondContact O-CB 3.44Å; M83-Y86 PolarHBondContact O-N 3.08Å; M83-Y86 HydrophobicContact SD-CD1 4.29Å; W84-Y86 VanDerWaalsContact C-N 3.34Å; W84-Y86 PolarHBondContact O-N 3.45Å; Y86-G89 WeakPolarHBondContact O-CA 3.27Å; Y86-G89 PolarHBondContact O-N 3.18Å; Y86-G89 VanDerWaalsContact O-N 3.14Å; Y86-V90 HydrophobicContact CD1-CG2 4.37Å; Y86-V90 HydrophobicContact CE1-CG2 3.88Å; Y86-V90 HydrophobicContact CE2-CG2 4.14Å; Y86-V90 PolarHBondContact O-N 3.34Å; Y86-Y125 HydrophobicContact CD2-CE2 4.37Å; Y86-Y125 HydrophobicContact CE2-CD2 4.48Å; Y86-Y125 AromaticContact CE2-CE2 3.73Å; Y86-Y125 HydrophobicContact CE2-CE2 3.73Å; Y86-A132 HydrophobicContact CD2-CB 4.45Å; Y86-I297 PolarHBondContact OH-O 3.38Å; Y86-E300 HydrophobicContact CE2-CG 4.29Å; Y86-E300 WeakPolarHBondContact CE2-OE2 3.24Å; Y86-E300 PolarHBondContact OH-OE2 3.02Å; Y86-L301 HydrophobicContact CE1-CB 4.26Å; Y86-L301 HydrophobicContact CE1-CD1 3.91Å; Y86-I304 HydrophobicContact CD1-CD1 4.44Å; Y86-I304 HydrophobicContact CD2-CD1 3.98Å; Y86-I304 HydrophobicContact CE1-CD1 4.22Å; Y86-I304 HydrophobicContact CE2-CD1 3.71Å; Y86-I304 HydrophobicContact CG-CD1 4.32Å
87F96.9Very high95.5Very high37 Ų3727.5 Ų27.516%0.16214%0.144CC..Hα-helixtrans-62.3-46.1-178.8178-105.4000112.9A60 F63 M83 W84 G89 V90 F91A60-F87 HydrophobicContact CB-CE2 4.47Å; A60-F87 HydrophobicContact CB-CZ 4.28Å; F63-F87 HydrophobicContact CB-CD2 3.47Å; F63-F87 VanDerWaalsContact CB-CD2 3.47Å; F63-F87 HydrophobicContact CB-CE2 3.6Å; F63-F87 HydrophobicContact CB-CG 4.26Å; F63-F87 HydrophobicContact CB-CZ 4.46Å; F63-F87 HydrophobicContact CD1-CB 4.4Å; F63-F87 AromaticContact CD1-CD1 3.83Å; F63-F87 HydrophobicContact CD1-CD1 3.83Å; F63-F87 AromaticContact CD1-CD2 3.7Å; F63-F87 HydrophobicContact CD1-CD2 3.7Å; F63-F87 AromaticContact CD1-CE1 3.97Å; F63-F87 HydrophobicContact CD1-CE1 3.97Å; F63-F87 AromaticContact CD1-CE2 3.84Å; F63-F87 HydrophobicContact CD1-CE2 3.84Å; F63-F87 AromaticContact CD1-CG 3.69Å; F63-F87 HydrophobicContact CD1-CG 3.69Å; F63-F87 AromaticContact CD1-CZ 3.97Å; F63-F87 HydrophobicContact CD1-CZ 3.97Å; F63-F87 HydrophobicContact CD2-CB 3.54Å; F63-F87 HydrophobicContact CD2-CD1 4.49Å; F63-F87 AromaticContact CD2-CD2 3.65Å; F63-F87 HydrophobicContact CD2-CD2 3.65Å; F63-F87 AromaticContact CD2-CG 3.63Å; F63-F87 HydrophobicContact CD2-CG 3.63Å; F63-F87 HydrophobicContact CE1-CB 4.28Å; F63-F87 AromaticContact CE1-CD1 3.71Å; F63-F87 HydrophobicContact CE1-CD1 3.71Å; F63-F87 HydrophobicContact CE1-CD2 4.31Å; F63-F87 HydrophobicContact CE1-CE1 4.11Å; F63-F87 AromaticContact CE1-CG 3.82Å; F63-F87 HydrophobicContact CE1-CG 3.82Å; F63-F87 HydrophobicContact CE2-CB 3.38Å; F63-F87 HydrophobicContact CE2-CD1 4.37Å; F63-F87 HydrophobicContact CE2-CD2 4.26Å; F63-F87 AromaticContact CE2-CG 3.76Å; F63-F87 HydrophobicContact CE2-CG 3.76Å; F63-F87 HydrophobicContact CG-CB 4.06Å; F63-F87 HydrophobicContact CG-CD1 4.22Å; F63-F87 AromaticContact CG-CD2 3.31Å; F63-F87 HydrophobicContact CG-CD2 3.31Å; F63-F87 AromaticContact CG-CE2 3.74Å; F63-F87 HydrophobicContact CG-CE2 3.74Å; F63-F87 AromaticContact CG-CG 3.59Å; F63-F87 HydrophobicContact CG-CG 3.59Å; F63-F87 HydrophobicContact CG-CZ 4.35Å; F63-F87 HydrophobicContact CZ-CB 3.79Å; F63-F87 HydrophobicContact CZ-CD1 4.01Å; F63-F87 AromaticContact CZ-CG 3.86Å; F63-F87 HydrophobicContact CZ-CG 3.86Å; M83-F87 WeakPolarHBondContact O-CB 3.21Å; M83-F87 PolarHBondContact O-N 3.42Å; W84-F87 HydrophobicContact CE3-CD1 4.34Å; W84-F87 HydrophobicContact CZ3-CD1 4.23Å; W84-F87 PolarHBondContact O-N 2.88Å; F87-G89 PolarHBondContact O-N 3.26Å; F87-V90 PolarHBondContact O-N 3.21Å; F87-F91 WeakPolarHBondContact O-CB 3.2Å; F87-F91 PolarHBondContact O-N 3.47Å
88I97.3Very high96Very high66 Ų6626.5 Ų26.534%0.33814%0.135SC..Hα-helixtrans-58.7-41.7174.7-68.1164.9000109.8W84 F91 C92W84-I88 WeakPolarHBondContact O-CB 3.38Å; W84-I88 WeakPolarHBondContact O-CD1 3.41Å; W84-I88 VanDerWaalsContact O-CG1 3.23Å; W84-I88 WeakPolarHBondContact O-CG1 3.34Å; W84-I88 PolarHBondContact O-N 3.44Å; I88-F91 PolarHBondContact O-N 3.24Å; I88-C92 VanDerWaalsContact O-CB 3.29Å; I88-C92 WeakPolarHBondContact O-CB 3.25Å; I88-C92 PolarHBondContact O-N 3.39Å; I88-C92 PolarHBondContact O-SG 3.11Å
89G97.8Very high96.4Very high6 Ų625.8 Ų25.86%0.06213%0.127CC..Hα-helixtrans-57.5-53.2174.700000112.9N85 Y86 F87 F91 C92 L93N85-G89 PolarHBondContact O-N 3.22Å; Y86-G89 WeakPolarHBondContact O-CA 3.27Å; Y86-G89 PolarHBondContact O-N 3.18Å; Y86-G89 VanDerWaalsContact O-N 3.14Å; F87-G89 PolarHBondContact O-N 3.26Å; G89-F91 PolarHBondContact O-N 2.97Å; G89-C92 PolarHBondContact O-N 3.42Å; G89-L93 VanDerWaalsContact O-CB 3.3Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 3.43Å
90V98.2Very high96.9Very high1 Ų124.1 Ų24.11%0.00612%0.12CC..Hα-helixtrans-61.1-44.8178.2174.40000111.2F59 Y86 F87 L93 L94 Y125 I297F59-V90 HydrophobicContact CB-CG1 4.28Å; F59-V90 HydrophobicContact CD1-CG1 3.84Å; F59-V90 HydrophobicContact CD2-CG1 3.88Å; F59-V90 HydrophobicContact CE1-CG1 4.14Å; F59-V90 HydrophobicContact CE2-CG1 4.12Å; F59-V90 HydrophobicContact CG-CG1 3.74Å; F59-V90 HydrophobicContact CZ-CG1 4.28Å; Y86-V90 HydrophobicContact CD1-CG2 4.37Å; Y86-V90 HydrophobicContact CE1-CG2 3.88Å; Y86-V90 HydrophobicContact CE2-CG2 4.14Å; Y86-V90 PolarHBondContact O-N 3.34Å; F87-V90 PolarHBondContact O-N 3.21Å; V90-L93 PolarHBondContact O-N 2.96Å; V90-L94 HydrophobicContact CG1-CD1 3.88Å; V90-L94 HydrophobicContact CG1-CG 4.41Å; V90-L94 WeakPolarHBondContact O-CG 3.46Å; V90-L94 PolarHBondContact O-N 3.42Å; V90-Y125 HydrophobicContact CG2-CD2 3.64Å; V90-Y125 HydrophobicContact CG2-CE2 3.59Å; V90-I297 HydrophobicContact CG1-CG2 4.07Å; V90-I297 HydrophobicContact CG2-CG2 3.77Å
91F98.3Very high97.2Very high81 Ų8124.4 Ų24.436%0.35512%0.121SC..Hα-helixtrans-59.2-51.3177.4175.4-95.1000111.7I56 F87 I88 G89 L93 L94 L95I56-F91 HydrophobicContact CG2-CD2 3.79Å; I56-F91 HydrophobicContact CG2-CE2 3.73Å; F87-F91 WeakPolarHBondContact O-CB 3.2Å; F87-F91 PolarHBondContact O-N 3.47Å; I88-F91 PolarHBondContact O-N 3.24Å; G89-F91 PolarHBondContact O-N 2.97Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.89Å; F91-L94 PolarHBondContact O-N 3.3Å; F91-L95 HydrophobicContact CE1-CD2 3.79Å; F91-L95 HydrophobicContact CZ-CD2 3.93Å; F91-L95 VanDerWaalsContact O-CB 3.27Å; F91-L95 WeakPolarHBondContact O-CB 3.13Å; F91-L95 PolarHBondContact O-N 3Å
92C98.2Very high97.4Very high48 Ų4822.6 Ų22.632%0.32411%0.114SC..Hα-helixtrans-63-39.2179.5-73.40000112I88 G89 A96 T121I88-C92 VanDerWaalsContact O-CB 3.29Å; I88-C92 WeakPolarHBondContact O-CB 3.25Å; I88-C92 PolarHBondContact O-N 3.39Å; I88-C92 PolarHBondContact O-SG 3.11Å; G89-C92 PolarHBondContact O-N 3.42Å; C92-A96 WeakPolarHBondContact O-CB 3.32Å; C92-A96 PolarHBondContact O-N 3.48Å; C92-T121 HydrophobicContact CB-CG2 4.04Å
93L97.8Very high97.5Very high10 Ų1024 Ų245%0.05212%0.122CC..Hα-helixtrans-59-52.4174.8169.3130.2000112.1G89 V90 F91 S97 I122 Y125 I297G89-L93 VanDerWaalsContact O-CB 3.3Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 3.43Å; V90-L93 PolarHBondContact O-N 2.96Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.89Å; L93-S97 VanDerWaalsContact O-CB 3.27Å; L93-S97 WeakPolarHBondContact O-CB 3.21Å; L93-S97 PolarHBondContact O-N 3.31Å; L93-I122 HydrophobicContact CD1-CB 3.97Å; L93-I122 HydrophobicContact CD1-CG1 3.55Å; L93-I122 HydrophobicContact CD1-CG2 4.22Å; L93-I122 HydrophobicContact CG-CG1 4.43Å; L93-Y125 HydrophobicContact CD1-CD1 3.86Å; L93-Y125 HydrophobicContact CD1-CG 4.18Å; L93-I297 HydrophobicContact CD2-CD1 3.7Å
94L98.3Very high97.5Very high1 Ų124.4 Ų24.41%0.00512%0.124CC..Hα-helixtrans-66.2-41.3-178.3-67.9173.5000111.6H52 P55 I56 F59 V90 F91 S98H52-L94 HydrophobicContact CB-CD2 4.36Å; P55-L94 HydrophobicContact CB-CD1 3.98Å; P55-L94 HydrophobicContact CB-CD2 4.28Å; I56-L94 HydrophobicContact CD1-CB 4.2Å; I56-L94 HydrophobicContact CG1-CB 3.61Å; I56-L94 HydrophobicContact CG1-CD1 4.09Å; F59-L94 HydrophobicContact CD2-CD1 3.47Å; F59-L94 VanDerWaalsContact CD2-CD1 3.47Å; F59-L94 HydrophobicContact CE2-CD1 3.82Å; F59-L94 HydrophobicContact CG-CD1 4.42Å; V90-L94 HydrophobicContact CG1-CD1 3.88Å; V90-L94 HydrophobicContact CG1-CG 4.41Å; V90-L94 WeakPolarHBondContact O-CG 3.46Å; V90-L94 PolarHBondContact O-N 3.42Å; F91-L94 PolarHBondContact O-N 3.3Å; L94-S98 WeakPolarHBondContact O-CB 3.32Å; L94-S98 PolarHBondContact O-N 3.43Å; L94-S98 PolarHBondContact O-OG 3.09Å
95L98.3Very high97.4Very high59 Ų5920.9 Ų20.931%0.30911%0.11SC..Hα-helixtrans-67.1-48.9178-176.962.4000111.6I56 F91 S97 S98 M99I56-L95 HydrophobicContact CD1-CB 4.31Å; I56-L95 HydrophobicContact CD1-CD1 4.43Å; F91-L95 HydrophobicContact CE1-CD2 3.79Å; F91-L95 HydrophobicContact CZ-CD2 3.93Å; F91-L95 VanDerWaalsContact O-CB 3.27Å; F91-L95 WeakPolarHBondContact O-CB 3.13Å; F91-L95 PolarHBondContact O-N 3Å; L95-S97 PolarHBondContact O-N 3.32Å; L95-S98 PolarHBondContact O-N 3.38Å; L95-S98 PolarHBondContact O-OG 2.95Å; L95-M99 HydrophobicContact CD1-CE 4.33Å; L95-M99 HydrophobicContact CD1-CG 4.01Å; L95-M99 HydrophobicContact CG-CG 4.32Å; L95-M99 VanDerWaalsContact O-CB 3.32Å; L95-M99 WeakPolarHBondContact O-CB 3.18Å; L95-M99 WeakPolarHBondContact O-CG 3.27Å; L95-M99 PolarHBondContact O-N 3.47Å
96A98.2Very high97.2Very high14 Ų1423 Ų2312%0.11612%0.121CC..Hα-helixtrans-63.4-42.3-179.100000111.9C92 M99 A100 V117 T121C92-A96 WeakPolarHBondContact O-CB 3.32Å; C92-A96 PolarHBondContact O-N 3.48Å; A96-M99 PolarHBondContact O-N 3.26Å; A96-A100 WeakPolarHBondContact O-CB 3.43Å; A96-A100 PolarHBondContact O-N 3.46Å; A96-V117 HydrophobicContact CB-CG1 4.09Å; A96-T121 HydrophobicContact CB-CG2 3.76Å; A96-T121 WeakPolarHBondContact CB-OG1 3.38Å
97S97.7Very high97Very high4 Ų424.6 Ų24.63%0.02813%0.133CC..Hα-helixtrans-64.3-47.9177.5-1640000112.1H52 L93 L95 M99 A100 H101 D118H52-S97 VanDerWaalsContact ND1-CB 3.28Å; H52-S97 WeakPolarHBondContact ND1-CB 3.29Å; H52-S97 PolarHBondContact ND1-OG 2.99Å; L93-S97 VanDerWaalsContact O-CB 3.27Å; L93-S97 WeakPolarHBondContact O-CB 3.21Å; L93-S97 PolarHBondContact O-N 3.31Å; L95-S97 PolarHBondContact O-N 3.32Å; S97-M99 PolarHBondContact O-N 3.08Å; S97-A100 PolarHBondContact O-N 2.77Å; S97-H101 PolarHBondContact O-CD2 2.89Å; S97-H101 VanDerWaalsContact O-CD2 3.26Å; S97-H101 PolarHBondContact O-N 2.98Å; S97-H101 VanDerWaalsContact O-N 3.08Å; S97-D118 WeakPolarHBondContact CA-OD1 3.43Å; S97-D118 WeakPolarHBondContact CB-OD1 3.47Å; S97-D118 PolarHBondContact OG-OD1 2.84Å; S97-D118 PolarHBondContact OG-OD2 3.04Å
98S98.2Very high96.8Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-62.3-42.6176.858.30000111.8F49 L94 L95 A100 H101 L102F49-S98 WeakPolarHBondContact CD2-O 3.49Å; L94-S98 WeakPolarHBondContact O-CB 3.32Å; L94-S98 PolarHBondContact O-N 3.43Å; L94-S98 PolarHBondContact O-OG 3.09Å; L95-S98 PolarHBondContact O-N 3.38Å; L95-S98 PolarHBondContact O-OG 2.95Å; S98-A100 VanDerWaalsContact C-N 3.35Å; S98-A100 PolarHBondContact O-N 2.98Å; S98-H101 PolarHBondContact O-N 3.45Å; S98-L102 WeakPolarHBondContact O-CB 3.28Å; S98-L102 PolarHBondContact O-N 3.44Å
99M98Very high96.6Very high52 Ų5222.9 Ų22.926%0.25613%0.126SC..Hα-helixtrans-64.5-37175.4-69.6-56.8100.600112.4F49 L95 A96 S97 L102 L103F49-M99 HydrophobicContact CE2-CE 3.75Å; L95-M99 HydrophobicContact CD1-CE 4.33Å; L95-M99 HydrophobicContact CD1-CG 4.01Å; L95-M99 HydrophobicContact CG-CG 4.32Å; L95-M99 VanDerWaalsContact O-CB 3.32Å; L95-M99 WeakPolarHBondContact O-CB 3.18Å; L95-M99 WeakPolarHBondContact O-CG 3.27Å; L95-M99 PolarHBondContact O-N 3.47Å; A96-M99 PolarHBondContact O-N 3.26Å; S97-M99 PolarHBondContact O-N 3.08Å; M99-L102 HydrophobicContact CE-CD2 3.82Å; M99-L102 PolarHBondContact O-N 3.03Å; M99-L102 HydrophobicContact SD-CD2 4.23Å; M99-L103 HydrophobicContact CB-CD1 4.46Å; M99-L103 WeakPolarHBondContact O-CB 3.24Å; M99-L103 VanDerWaalsContact O-CG 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.15Å; M99-L103 PolarHBondContact O-N 3.12Å
100A97.5Very high96.5Very high0 Ų024.6 Ų24.60%014%0.136CC..Hα-helixtrans-61.8-44.8175.500000111.6A96 S97 S98 N104 C114 F115 D118A96-A100 WeakPolarHBondContact O-CB 3.43Å; A96-A100 PolarHBondContact O-N 3.46Å; S97-A100 PolarHBondContact O-N 2.77Å; S98-A100 VanDerWaalsContact C-N 3.35Å; S98-A100 PolarHBondContact O-N 2.98Å; A100-N104 WeakPolarHBondContact O-CB 3.45Å; A100-N104 PolarHBondContact O-N 3.2Å; A100-N104 VanDerWaalsContact O-N 3.16Å; A100-C114 HydrophobicContact CB-CB 3.8Å; A100-F115 HydrophobicContact CB-CD1 3.87Å; A100-F115 HydrophobicContact CB-CE1 3.96Å; A100-F115 HydrophobicContact CB-CG 4.28Å; A100-F115 HydrophobicContact CB-CZ 4.46Å; A100-D118 HydrophobicContact CB-CB 4.29Å
101H97.3Very high96.3Very high6 Ų624.7 Ų24.73%0.02814%0.136CC..Hα-helixtrans-68.3-33.5174.7-73.9-72.2000112.7R26 E45 N48 S97 S98 N104 F115 H286 H290R26-H101 PolarHBondContact NH2-O 2.96Å; E45-H101 IonicContact OE2-CE1 3.14Å; E45-H101 IonicContact OE2-CG 3.55Å; E45-H101 IonicContact OE2-ND1 2.71Å; E45-H101 PolarHBondContact OE2-ND1 3.39Å; N48-H101 HydrophobicContact CB-CB 3.99Å; S97-H101 PolarHBondContact O-CD2 2.89Å; S97-H101 VanDerWaalsContact O-CD2 3.26Å; S97-H101 PolarHBondContact O-N 2.98Å; S97-H101 VanDerWaalsContact O-N 3.08Å; S98-H101 PolarHBondContact O-N 3.45Å; H101-N104 PolarHBondContact O-ND2 2.9Å; H101-F115 AromaticContact CE1-CE1 3.92Å; H101-F115 AromaticContact NE2-CE1 3.94Å; H101-H286 AromaticContact CE1-CD2 3.7Å; H101-H286 AromaticContact CE1-NE2 3.28Å; H101-H286 PolarHBondContact CE1-NE2 3.32Å; H101-H286 VanDerWaalsContact CE1-NE2 3.28Å; H101-H286 AromaticContact NE2-CD2 3.92Å; H101-H286 AromaticContact NE2-NE2 3.2Å; H101-H286 PolarHBondContact NE2-NE2 3.13Å; H101-H290 AromaticContact CD2-NE2 3.81Å; H101-H290 AromaticContact NE2-CE1 3.67Å; H101-H290 AromaticContact NE2-NE2 3.34Å; H101-H290 PolarHBondContact NE2-NE2 3.02Å
102L97.3Very high96.2Very high4 Ų420.9 Ų20.92%0.02112%0.119CC..Hα-helixtrans-71.2-45.6178.8-172.159.4000113R26 C35 L36 A39 F49 S98 M99R26-L102 PolarHBondContact NH1-O 3.34Å; C35-L102 WeakPolarHBondContact O-CD1 3.33Å; L36-L102 HydrophobicContact CD2-CD2 4.03Å; A39-L102 HydrophobicContact CB-CD1 3.84Å; F49-L102 HydrophobicContact CD2-CB 3.9Å; F49-L102 HydrophobicContact CD2-CD1 4.3Å; F49-L102 HydrophobicContact CD2-CD2 4.22Å; F49-L102 HydrophobicContact CD2-CG 4.38Å; F49-L102 HydrophobicContact CE2-CB 4.31Å; F49-L102 HydrophobicContact CE2-CD2 3.82Å; F49-L102 HydrophobicContact CE2-CG 4.46Å; F49-L102 HydrophobicContact CZ-CD2 4.41Å; S98-L102 WeakPolarHBondContact O-CB 3.28Å; S98-L102 PolarHBondContact O-N 3.44Å; M99-L102 HydrophobicContact CE-CD2 3.82Å; M99-L102 PolarHBondContact O-N 3.03Å; M99-L102 HydrophobicContact SD-CD2 4.23Å
103L96.8Very high96.1Very high30 Ų3020.8 Ų20.816%0.15712%0.117CC..Hα-helixtrans-94-3.1-169.8-56179.4000113.7L32 C35 M99 S105 M106 V110L32-L103 HydrophobicContact CD1-CD2 3.59Å; C35-L103 HydrophobicContact CB-CD2 4.05Å; M99-L103 HydrophobicContact CB-CD1 4.46Å; M99-L103 WeakPolarHBondContact O-CB 3.24Å; M99-L103 VanDerWaalsContact O-CG 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.15Å; M99-L103 PolarHBondContact O-N 3.12Å; L103-S105 PolarHBondContact O-N 3.05Å; L103-M106 HydrophobicContact CB-CG 4.48Å; L103-M106 HydrophobicContact CB-SD 4.12Å; L103-M106 HydrophobicContact CD2-SD 3.85Å; L103-M106 HydrophobicContact CG-SD 4.42Å; L103-M106 WeakPolarHBondContact O-CB 3.36Å; L103-M106 WeakPolarHBondContact O-CG 3.41Å; L103-M106 PolarHBondContact O-N 2.97Å; L103-V110 HydrophobicContact CB-CG1 4.3Å
104N94.4Very high96.1Very high7 Ų721.3 Ų21.34%0.03712%0.122CC..THydrogen-bonded Turntrans-62.6-10.8-176.170.342.5000115.8R26 E45 A100 H101 R111 F115R26-N104 PolarHBondContact NH2-OD1 3.26Å; E45-N104 PolarHBondContact OE1-ND2 3.28Å; A100-N104 WeakPolarHBondContact O-CB 3.45Å; A100-N104 PolarHBondContact O-N 3.2Å; A100-N104 VanDerWaalsContact O-N 3.16Å; H101-N104 PolarHBondContact O-ND2 2.9Å; N104-R111 HydrophobicContact CB-CB 4.27Å; N104-R111 HydrophobicContact CB-CG 3.95Å; N104-F115 HydrophobicContact CB-CE2 4.04Å
105S93.7Very high96Very high1 Ų121.8 Ų21.81%0.00712%0.124CC..THydrogen-bonded Turntrans-98.10.5177.560.40000113.7F27 P28 N29 Y30 C35 L103F27-S105 VanDerWaalsContact O-O 3.14Å; P28-S105 WeakPolarHBondContact CA-O 3.38Å; N29-S105 PolarHBondContact N-O 3.46Å; Y30-S105 PolarHBondContact N-O 3.06Å; C35-S105 PolarHBondContact SG-OG 3.25Å; L103-S105 PolarHBondContact O-N 3.05Å
106M94Very high96Very high52 Ų5219 Ų1926%0.25611%0.109SC..SBendtrans-68.7-52.4178.1-69.3-174.96900111.8N29 Y30 L32 C35 L103 V110N29-M106 WeakPolarHBondContact CA-O 3.47Å; N29-M106 PolarHBondContact N-O 2.98Å; Y30-M106 WeakPolarHBondContact O-CA 3.41Å; L32-M106 HydrophobicContact CB-CE 4.16Å; L32-M106 HydrophobicContact CD1-SD 4.31Å; C35-M106 VanDerWaalsContact SG-CG 3.51Å; L103-M106 HydrophobicContact CB-CG 4.48Å; L103-M106 HydrophobicContact CB-SD 4.12Å; L103-M106 HydrophobicContact CD2-SD 3.85Å; L103-M106 HydrophobicContact CG-SD 4.42Å; L103-M106 WeakPolarHBondContact O-CB 3.36Å; L103-M106 WeakPolarHBondContact O-CG 3.41Å; L103-M106 PolarHBondContact O-N 2.97Å; M106-V110 HydrophobicContact CB-CB 4.17Å; M106-V110 HydrophobicContact CB-CG1 4.04Å; M106-V110 HydrophobicContact CB-CG2 4.37Å; M106-V110 HydrophobicContact SD-CG1 4.21Å
107S93.8Very high96Very high38 Ų3821.2 Ų21.227%0.26612%0.121SC..  trans-161.4165.8173.7750000110V109 V110 R111S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 3.49Å; S107-V109 PolarHBondContact OG-N 2.89Å; S107-V110 PolarHBondContact O-N 3.33Å; S107-V110 WeakPolarHBondContact OG-CG2 3.41Å; S107-V110 PolarHBondContact OG-N 3.46Å; S107-V110 VanDerWaalsContact OG-N 3.08Å; S107-R111 WeakPolarHBondContact O-CB 3.44Å; S107-R111 PolarHBondContact O-N 2.96Å
108L92.3Very high96Very high41 Ų4121.5 Ų21.522%0.21512%0.122CC..Hα-helixtrans-63.4-34.7175.3-66.9178.4000112.3V16 P28 E112 Y361V16-L108 HydrophobicContact CG2-CD2 3.84Å; P28-L108 HydrophobicContact CG-CD2 4.29Å; L108-E112 WeakPolarHBondContact O-CG 3.42Å; L108-E112 PolarHBondContact O-N 2.88Å; L108-Y361 HydrophobicContact CB-CD1 4.36Å; L108-Y361 HydrophobicContact CB-CG 4.22Å; L108-Y361 HydrophobicContact CD1-CD1 4.07Å
109V93.8Very high96Very high25 Ų2522.2 Ų22.215%0.15213%0.125CC..Hα-helixtrans-67.3-50.5176.2179.70000110.3S107 R111 E112 V113 N358S107-V109 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 3.49Å; S107-V109 PolarHBondContact OG-N 2.89Å; V109-R111 VanDerWaalsContact C-N 3.29Å; V109-R111 PolarHBondContact O-N 3.41Å; V109-E112 PolarHBondContact O-N 2.74Å; V109-E112 VanDerWaalsContact O-N 3.11Å; V109-V113 HydrophobicContact CG1-CG2 4.29Å; V109-V113 WeakPolarHBondContact O-CG2 3.19Å; V109-V113 PolarHBondContact O-N 3.48Å; V109-N358 HydrophobicContact CG1-CB 4.35Å
110V94.6Very high95.9Very high43 Ų4319.9 Ų19.926%0.26111%0.114SC..Hα-helixtrans-59-42.9179.5171.90000110.6L103 M106 S107 E112 V113 C114L103-V110 HydrophobicContact CB-CG1 4.3Å; M106-V110 HydrophobicContact CB-CB 4.17Å; M106-V110 HydrophobicContact CB-CG1 4.04Å; M106-V110 HydrophobicContact CB-CG2 4.37Å; M106-V110 HydrophobicContact SD-CG1 4.21Å; S107-V110 PolarHBondContact O-N 3.33Å; S107-V110 WeakPolarHBondContact OG-CG2 3.41Å; S107-V110 PolarHBondContact OG-N 3.46Å; S107-V110 VanDerWaalsContact OG-N 3.08Å; V110-E112 PolarHBondContact O-N 3.32Å; V110-V113 PolarHBondContact O-N 3.07Å; V110-C114 WeakPolarHBondContact O-CB 3.14Å; V110-C114 PolarHBondContact O-N 3.46Å; V110-C114 PolarHBondContact O-SG 2.49Å
111R94.9Very high96Very high2 Ų220.9 Ų20.91%0.00812%0.12CC..Hα-helixtrans-52-52173.7177.3174.4-179.4102.10.4111.7V16 E18 N104 S107 V109 F115V16-R111 PolarHBondContact O-NH2 2.89Å; E18-R111 IonicContact OE1-NH2 2.78Å; N104-R111 HydrophobicContact CB-CB 4.27Å; N104-R111 HydrophobicContact CB-CG 3.95Å; S107-R111 WeakPolarHBondContact O-CB 3.44Å; S107-R111 PolarHBondContact O-N 2.96Å; V109-R111 VanDerWaalsContact C-N 3.29Å; V109-R111 PolarHBondContact O-N 3.41Å; R111-F115 HydrophobicContact CG-CD2 3.92Å; R111-F115 HydrophobicContact CG-CE2 3.92Å; R111-F115 WeakPolarHBondContact O-CD2 3.3Å; R111-F115 PolarHBondContact O-N 3.09Å
112E94.8Very high95.9Very high1 Ų122.4 Ų22.41%0.00513%0.128CC..Hα-helixtrans-63.3-47.4-179.6-67.4-58.9120.800112.3R15 L108 V109 V110 C114 F115 F116 R199 A357R15-E112 IonicContact CZ-OE1 2.78Å; R15-E112 VanDerWaalsContact CZ-OE1 3.32Å; R15-E112 IonicContact CZ-OE2 3.95Å; R15-E112 IonicContact NE-OE1 2.97Å; R15-E112 IonicContact NH1-OE1 3.65Å; R15-E112 PolarHBondContact NH1-OE1 3.49Å; R15-E112 IonicContact NH1-OE2 2.68Å; R15-E112 IonicContact NH2-OE1 3.33Å; R15-E112 PolarHBondContact NH2-OE1 2.89Å; R15-E112 IonicContact NH2-OE2 3.32Å; R15-E112 PolarHBondContact NH2-OE2 2.76Å; L108-E112 WeakPolarHBondContact O-CG 3.42Å; L108-E112 PolarHBondContact O-N 2.88Å; V109-E112 PolarHBondContact O-N 2.74Å; V109-E112 VanDerWaalsContact O-N 3.11Å; V110-E112 PolarHBondContact O-N 3.32Å; E112-C114 PolarHBondContact O-N 3.2Å; E112-F115 PolarHBondContact O-N 3.22Å; E112-F116 HydrophobicContact CB-CD2 4.44Å; E112-F116 HydrophobicContact CB-CE2 3.81Å; E112-F116 HydrophobicContact CB-CZ 4.12Å; E112-F116 WeakPolarHBondContact O-CD2 3.3Å; E112-F116 WeakPolarHBondContact O-CG 3.35Å; E112-F116 PolarHBondContact O-N 3.13Å; E112-R199 VanDerWaalsContact CD-NE 3.34Å; E112-R199 IonicContact OE1-CZ 3.64Å; E112-R199 IonicContact OE1-NE 2.88Å; E112-R199 PolarHBondContact OE1-NE 2.87Å; E112-R199 VanDerWaalsContact OE1-NE 3.14Å; E112-R199 IonicContact OE1-NH2 3.55Å; E112-R199 PolarHBondContact OE1-NH2 2.71Å; E112-R199 IonicContact OE2-NE 3.97Å; E112-R199 PolarHBondContact OE2-NE 3.48Å; E112-A357 HydrophobicContact CB-CB 3.98Å; E112-A357 HydrophobicContact CG-CB 4.32Å
113V96.7Very high95.9Very high46 Ų4622.3 Ų22.328%0.27913%0.128SC..Hα-helixtrans-58.3-49.4179.9176.60000110.8V109 V110 F115 F116 V117V109-V113 HydrophobicContact CG1-CG2 4.29Å; V109-V113 WeakPolarHBondContact O-CG2 3.19Å; V109-V113 PolarHBondContact O-N 3.48Å; V110-V113 PolarHBondContact O-N 3.07Å; V113-F115 VanDerWaalsContact C-N 3.32Å; V113-F115 PolarHBondContact O-N 3.39Å; V113-F116 PolarHBondContact O-N 2.88Å; V113-F116 VanDerWaalsContact O-N 3.15Å; V113-V117 WeakPolarHBondContact O-CG2 3.12Å; V113-V117 PolarHBondContact O-N 3.31Å
114C97.3Very high96Very high22 Ų2221.4 Ų21.415%0.14913%0.125CC..Hα-helixtrans-61.2-41-179.5-65.90000112.2A100 V110 E112 V117 D118A100-C114 HydrophobicContact CB-CB 3.8Å; V110-C114 WeakPolarHBondContact O-CB 3.14Å; V110-C114 PolarHBondContact O-N 3.46Å; V110-C114 PolarHBondContact O-SG 2.49Å; E112-C114 PolarHBondContact O-N 3.2Å; C114-V117 PolarHBondContact O-N 3.2Å; C114-D118 PolarHBondContact O-N 3.44Å
115F96.9Very high96.1Very high11 Ų1122.1 Ų22.15%0.04813%0.127CC..Hα-helixtrans-72.6-27.8176.8-77.5-65000113.4A100 H101 N104 R111 E112 V113 Y119 R199A100-F115 HydrophobicContact CB-CD1 3.87Å; A100-F115 HydrophobicContact CB-CE1 3.96Å; A100-F115 HydrophobicContact CB-CG 4.28Å; A100-F115 HydrophobicContact CB-CZ 4.46Å; H101-F115 AromaticContact CE1-CE1 3.92Å; H101-F115 AromaticContact NE2-CE1 3.94Å; N104-F115 HydrophobicContact CB-CE2 4.04Å; R111-F115 HydrophobicContact CG-CD2 3.92Å; R111-F115 HydrophobicContact CG-CE2 3.92Å; R111-F115 WeakPolarHBondContact O-CD2 3.3Å; R111-F115 PolarHBondContact O-N 3.09Å; E112-F115 PolarHBondContact O-N 3.22Å; V113-F115 VanDerWaalsContact C-N 3.32Å; V113-F115 PolarHBondContact O-N 3.39Å; F115-Y119 WeakPolarHBondContact O-CD2 3.46Å; F115-Y119 WeakPolarHBondContact O-CE2 3.26Å; F115-Y119 PolarHBondContact O-N 3.31Å; F115-Y119 VanDerWaalsContact O-N 3.15Å; F115-R199 VanDerWaalsContact CB-NH1 3.29Å; F115-R199 VanDerWaalsContact CD2-CZ 3.43Å
116F97.9Very high96.2Very high0 Ų022.7 Ų22.70%013%0.13CC..Hα-helixtrans-66.9-41.2169.7-62.2-37.9000111.5E112 V113 Y119 G120 C196 R199 Q200 I350 F353 A357E112-F116 HydrophobicContact CB-CD2 4.44Å; E112-F116 HydrophobicContact CB-CE2 3.81Å; E112-F116 HydrophobicContact CB-CZ 4.12Å; E112-F116 WeakPolarHBondContact O-CD2 3.3Å; E112-F116 WeakPolarHBondContact O-CG 3.35Å; E112-F116 PolarHBondContact O-N 3.13Å; V113-F116 PolarHBondContact O-N 2.88Å; V113-F116 VanDerWaalsContact O-N 3.15Å; F116-Y119 PolarHBondContact O-N 3.48Å; F116-G120 PolarHBondContact O-N 2.9Å; F116-C196 HydrophobicContact CD1-CB 3.97Å; F116-C196 VanDerWaalsContact CD1-SG 3.58Å; F116-C196 HydrophobicContact CE1-CB 4.03Å; F116-R199 HydrophobicContact CE1-CB 3.99Å; F116-R199 HydrophobicContact CE1-CG 4.38Å; F116-Q200 HydrophobicContact CZ-CG 4.07Å; F116-I350 HydrophobicContact CB-CG1 4.24Å; F116-I350 HydrophobicContact CB-CG2 3.95Å; F116-F353 HydrophobicContact CD2-CB 4.07Å; F116-F353 HydrophobicContact CE1-CB 4.5Å; F116-F353 HydrophobicContact CE2-CB 3.9Å; F116-F353 HydrophobicContact CG-CB 4.47Å; F116-F353 HydrophobicContact CZ-CB 4.14Å; F116-F353 HydrophobicContact CZ-CD1 4.45Å; F116-A357 HydrophobicContact CE2-CB 4.22Å
117V98.3Very high96.4Very high60 Ų6020.2 Ų20.236%0.36412%0.118SC..Hα-helixtrans-62.1-45.3173.9175.30000110.9A96 V113 C114 Y119 G120 T121 I350A96-V117 HydrophobicContact CB-CG1 4.09Å; V113-V117 WeakPolarHBondContact O-CG2 3.12Å; V113-V117 PolarHBondContact O-N 3.31Å; C114-V117 PolarHBondContact O-N 3.2Å; V117-Y119 PolarHBondContact O-N 3.24Å; V117-G120 PolarHBondContact O-N 3.29Å; V117-G120 VanDerWaalsContact O-N 3.13Å; V117-T121 HydrophobicContact CG1-CG2 4.42Å; V117-T121 WeakPolarHBondContact O-CG2 3.19Å; V117-T121 PolarHBondContact O-N 3.37Å; V117-T121 PolarHBondContact O-OG1 2.98Å; V117-I350 HydrophobicContact CG2-CG2 4.16Å
118D98Very high96.5Very high11 Ų1118.4 Ų18.46%0.05911%0.105CC..Hα-helixtrans-51.9-54.8174.7-175.321.7000111.2S97 A100 C114 G120 T121 I122S97-D118 WeakPolarHBondContact CA-OD1 3.43Å; S97-D118 WeakPolarHBondContact CB-OD1 3.47Å; S97-D118 PolarHBondContact OG-OD1 2.84Å; S97-D118 PolarHBondContact OG-OD2 3.04Å; A100-D118 HydrophobicContact CB-CB 4.29Å; C114-D118 PolarHBondContact O-N 3.44Å; D118-G120 VanDerWaalsContact C-N 3.32Å; D118-G120 PolarHBondContact O-N 3.29Å; D118-T121 PolarHBondContact O-N 3.44Å; D118-T121 VanDerWaalsContact O-N 3.1Å; D118-T121 PolarHBondContact O-OG1 2.95Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å; D118-I122 PolarHBondContact O-N 3.15Å; D118-I122 VanDerWaalsContact O-N 3.11Å
119Y96.9Very high96.8Very high15 Ų1516.7 Ų16.76%0.05910%0.097CC..Hα-helixtrans-59.8-40176.9-54.4-34.9000113.6F115 F116 V117 T121 I122 S123 C195 R199 R210F115-Y119 WeakPolarHBondContact O-CD2 3.46Å; F115-Y119 WeakPolarHBondContact O-CE2 3.26Å; F115-Y119 PolarHBondContact O-N 3.31Å; F115-Y119 VanDerWaalsContact O-N 3.15Å; F116-Y119 PolarHBondContact O-N 3.48Å; V117-Y119 PolarHBondContact O-N 3.24Å; Y119-T121 VanDerWaalsContact C-N 3.3Å; Y119-T121 PolarHBondContact O-N 2.92Å; Y119-I122 HydrophobicContact CD1-CD1 4.42Å; Y119-I122 PolarHBondContact O-N 2.9Å; Y119-S123 PolarHBondContact O-N 2.87Å; Y119-S123 VanDerWaalsContact O-N 3.16Å; Y119-S123 PolarHBondContact O-OG 3.38Å; Y119-C195 HydrophobicContact CD1-CB 4.04Å; Y119-C195 HydrophobicContact CD2-CB 3.43Å; Y119-C195 VanDerWaalsContact CD2-CB 3.43Å; Y119-C195 HydrophobicContact CE2-CB 3.98Å; Y119-C195 WeakPolarHBondContact CE2-O 3.31Å; Y119-C195 HydrophobicContact CG-CB 3.47Å; Y119-C195 VanDerWaalsContact CG-CB 3.47Å; Y119-R199 HydrophobicContact CE2-CG 3.78Å; Y119-R210 PolarHBondContact OH-NH1 3.39Å; Y119-R210 PolarHBondContact OH-NH2 3.28Å
120G97.9Very high96.9Very high3 Ų315.5 Ų15.53%0.0319%0.09CC..Hα-helixtrans-58.8-42.4175.700000112.4F116 V117 D118 S123 A124F116-G120 PolarHBondContact O-N 2.9Å; V117-G120 PolarHBondContact O-N 3.29Å; V117-G120 VanDerWaalsContact O-N 3.13Å; D118-G120 VanDerWaalsContact C-N 3.32Å; D118-G120 PolarHBondContact O-N 3.29Å; G120-S123 PolarHBondContact O-N 2.85Å; G120-A124 PolarHBondContact O-N 3.41Å
121T98.1Very high96.9Very high21 Ų2113.5 Ų13.513%0.1298%0.077CC..Hα-helixtrans-69.7-34.2178.758.80000113.1C92 A96 V117 D118 Y119 S123 A124 Y125C92-T121 HydrophobicContact CB-CG2 4.04Å; A96-T121 HydrophobicContact CB-CG2 3.76Å; A96-T121 WeakPolarHBondContact CB-OG1 3.38Å; V117-T121 HydrophobicContact CG1-CG2 4.42Å; V117-T121 WeakPolarHBondContact O-CG2 3.19Å; V117-T121 PolarHBondContact O-N 3.37Å; V117-T121 PolarHBondContact O-OG1 2.98Å; D118-T121 PolarHBondContact O-N 3.44Å; D118-T121 VanDerWaalsContact O-N 3.1Å; D118-T121 PolarHBondContact O-OG1 2.95Å; Y119-T121 VanDerWaalsContact C-N 3.3Å; Y119-T121 PolarHBondContact O-N 2.92Å; T121-S123 VanDerWaalsContact C-N 3.32Å; T121-S123 PolarHBondContact O-N 2.9Å; T121-A124 PolarHBondContact O-N 3.34Å; T121-Y125 VanDerWaalsContact O-CB 3.3Å; T121-Y125 WeakPolarHBondContact O-CB 3.29Å; T121-Y125 PolarHBondContact O-N 3.23Å
122I96.7Very high96.9Very high38 Ų3813.4 Ų13.420%0.1958%0.077CC..Hα-helixtrans-59.8-44171.1-57.3166.5000111.1L93 D118 Y119 T126 F214L93-I122 HydrophobicContact CD1-CB 3.97Å; L93-I122 HydrophobicContact CD1-CG1 3.55Å; L93-I122 HydrophobicContact CD1-CG2 4.22Å; L93-I122 HydrophobicContact CG-CG1 4.43Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å; D118-I122 PolarHBondContact O-N 3.15Å; D118-I122 VanDerWaalsContact O-N 3.11Å; Y119-I122 HydrophobicContact CD1-CD1 4.42Å; Y119-I122 PolarHBondContact O-N 2.9Å; I122-T126 PolarHBondContact O-N 3.37Å; I122-T126 PolarHBondContact O-OG1 3.27Å; I122-F214 HydrophobicContact CB-CE1 4.35Å; I122-F214 HydrophobicContact CB-CZ 4.34Å; I122-F214 HydrophobicContact CD1-CZ 4.35Å; I122-F214 HydrophobicContact CG2-CD1 4.27Å; I122-F214 HydrophobicContact CG2-CE1 3.43Å; I122-F214 VanDerWaalsContact CG2-CE1 3.43Å; I122-F214 HydrophobicContact CG2-CZ 3.75Å
123S96.8Very high96.9Very high1 Ų113.4 Ų13.41%0.0078%0.077CC..Hα-helixtrans-69.2-38177.3-67.10000112.9Y119 G120 T121 T126 V127 A188 C191 V192Y119-S123 PolarHBondContact O-N 2.87Å; Y119-S123 VanDerWaalsContact O-N 3.16Å; Y119-S123 PolarHBondContact O-OG 3.38Å; G120-S123 PolarHBondContact O-N 2.85Å; T121-S123 VanDerWaalsContact C-N 3.32Å; T121-S123 PolarHBondContact O-N 2.9Å; S123-T126 WeakPolarHBondContact O-CB 3.46Å; S123-T126 PolarHBondContact O-N 3.11Å; S123-V127 PolarHBondContact O-N 3.45Å; S123-A188 WeakPolarHBondContact CB-O 3.37Å; S123-A188 PolarHBondContact OG-O 3.45Å; S123-C191 WeakPolarHBondContact OG-CB 3.2Å; S123-V192 WeakPolarHBondContact OG-CG2 3.32Å
124A97.4Very high96.6Very high11 Ų1112.1 Ų12.19%0.0917%0.067CC..Hα-helixtrans-65.2-45.2173.900000111.8G120 T121 T126 V127 G128 M339 I346G120-A124 PolarHBondContact O-N 3.41Å; T121-A124 PolarHBondContact O-N 3.34Å; A124-T126 VanDerWaalsContact C-N 3.29Å; A124-T126 PolarHBondContact O-N 3.25Å; A124-V127 PolarHBondContact O-N 3.09Å; A124-G128 PolarHBondContact O-N 3.17Å; A124-M339 HydrophobicContact CB-CE 4.44Å; A124-M339 WeakPolarHBondContact O-CE 3.39Å; A124-I346 HydrophobicContact CB-CD1 4.31Å
125Y97.5Very high96.1Very high23 Ų2312.7 Ų12.79%0.097%0.067CC..Hα-helixtrans-56.1-42.7173.7153.4-104.7000111.9Y86 V90 L93 T121 V127 G128 S129 I297 E300Y86-Y125 HydrophobicContact CD2-CE2 4.37Å; Y86-Y125 HydrophobicContact CE2-CD2 4.48Å; Y86-Y125 AromaticContact CE2-CE2 3.73Å; Y86-Y125 HydrophobicContact CE2-CE2 3.73Å; V90-Y125 HydrophobicContact CG2-CD2 3.64Å; V90-Y125 HydrophobicContact CG2-CE2 3.59Å; L93-Y125 HydrophobicContact CD1-CD1 3.86Å; L93-Y125 HydrophobicContact CD1-CG 4.18Å; T121-Y125 VanDerWaalsContact O-CB 3.3Å; T121-Y125 WeakPolarHBondContact O-CB 3.29Å; T121-Y125 PolarHBondContact O-N 3.23Å; Y125-V127 VanDerWaalsContact C-N 3.29Å; Y125-V127 PolarHBondContact O-N 3.1Å; Y125-G128 CarbonylContact O-C 3.56Å; Y125-G128 WeakPolarHBondContact O-CA 3.46Å; Y125-G128 PolarHBondContact O-N 3.08Å; Y125-G128 VanDerWaalsContact O-N 3.08Å; Y125-S129 PolarHBondContact O-N 2.79Å; Y125-I297 HydrophobicContact CE1-CD1 4.48Å; Y125-I297 HydrophobicContact CE2-CG2 4.27Å; Y125-E300 VanDerWaalsContact OH-CD 3.26Å; Y125-E300 PolarHBondContact OH-OE1 3.12Å; Y125-E300 PolarHBondContact OH-OE2 3.46Å
126T96.2Very high95.8Very high12 Ų1212.3 Ų12.37%0.0747%0.065CC..Hα-helixtrans-54.8-44.9177.2-61.60000111.9I122 S123 A124 S129 S130 P217 S221I122-T126 PolarHBondContact O-N 3.37Å; I122-T126 PolarHBondContact O-OG1 3.27Å; S123-T126 WeakPolarHBondContact O-CB 3.46Å; S123-T126 PolarHBondContact O-N 3.11Å; A124-T126 VanDerWaalsContact C-N 3.29Å; A124-T126 PolarHBondContact O-N 3.25Å; T126-S129 PolarHBondContact O-N 3.49Å; T126-S130 PolarHBondContact O-N 2.93Å; T126-S130 PolarHBondContact O-OG 3.28Å; T126-P217 HydrophobicContact CG2-CB 3.65Å; T126-P217 HydrophobicContact CG2-CG 4.19Å; T126-S221 WeakPolarHBondContact CG2-OG 3.12Å
127V97.2Very high95.4Very high0 Ų012.3 Ų12.30%07%0.065CC..Hα-helixtrans-72.9-33.9178.4-177.80000111.8S123 A124 Y125 S129 S130 L131 M181 A184 A188 M339 L342S123-V127 PolarHBondContact O-N 3.45Å; A124-V127 PolarHBondContact O-N 3.09Å; Y125-V127 VanDerWaalsContact C-N 3.29Å; Y125-V127 PolarHBondContact O-N 3.1Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 3.01Å; V127-S130 WeakPolarHBondContact O-CB 3.19Å; V127-S130 PolarHBondContact O-N 2.72Å; V127-L131 PolarHBondContact O-N 2.71Å; V127-M181 HydrophobicContact CG1-CE 3.78Å; V127-A184 HydrophobicContact CG2-CB 4.42Å; V127-A188 HydrophobicContact CG2-CB 3.63Å; V127-M339 HydrophobicContact CB-SD 4.05Å; V127-M339 HydrophobicContact CG1-SD 3.79Å; V127-L342 HydrophobicContact CB-CD2 3.56Å; V127-L342 HydrophobicContact CG1-CD2 3.91Å; V127-L342 HydrophobicContact CG2-CD2 3.41Å; V127-L342 VanDerWaalsContact CG2-CD2 3.41Å
128G97.2Very high94.4Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-59.6-41.2170.100000112.9A124 Y125 L131 A132A124-G128 PolarHBondContact O-N 3.17Å; Y125-G128 CarbonylContact O-C 3.56Å; Y125-G128 WeakPolarHBondContact O-CA 3.46Å; Y125-G128 PolarHBondContact O-N 3.08Å; Y125-G128 VanDerWaalsContact O-N 3.08Å; G128-L131 WeakPolarHBondContact O-CB 3.16Å; G128-L131 PolarHBondContact O-N 2.9Å; G128-A132 PolarHBondContact O-N 3.18Å; G128-A132 VanDerWaalsContact O-N 3.12Å
129S96.8Very high92.6Very high5 Ų510.2 Ų10.24%0.0355%0.053CC..Hα-helixtrans-64.1-45.8172.4176.70000111.7Y125 T126 V127 L131 A132 Y133 E300Y125-S129 PolarHBondContact O-N 2.79Å; T126-S129 PolarHBondContact O-N 3.49Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 3.01Å; S129-L131 VanDerWaalsContact C-N 3.3Å; S129-L131 PolarHBondContact O-N 2.78Å; S129-A132 WeakPolarHBondContact O-CB 3.3Å; S129-A132 PolarHBondContact O-N 3.43Å; S129-Y133 VanDerWaalsContact O-CG 3.32Å; S129-Y133 PolarHBondContact O-N 3.38Å; S129-Y133 WeakPolarHBondContact OG-CE2 3.07Å; S129-E300 WeakPolarHBondContact CB-OE1 3.36Å; S129-E300 PolarHBondContact OG-OE1 3.41Å
130S95.9Very high90.9Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-57.2-40.9174.4-62.20000112.9T126 V127 Y133 Y134 Y180 S221T126-S130 PolarHBondContact O-N 2.93Å; T126-S130 PolarHBondContact O-OG 3.28Å; V127-S130 WeakPolarHBondContact O-CB 3.19Å; V127-S130 PolarHBondContact O-N 2.72Å; S130-Y133 PolarHBondContact O-N 3.15Å; S130-Y134 VanDerWaalsContact O-CB 3.28Å; S130-Y134 WeakPolarHBondContact O-CB 3.21Å; S130-Y134 PolarHBondContact O-N 3.06Å; S130-Y180 WeakPolarHBondContact CA-OH 3.15Å; S130-Y180 WeakPolarHBondContact CB-OH 3.38Å; S130-Y180 WeakPolarHBondContact O-CE1 3.18Å; S130-Y180 PolarHBondContact O-OH 3.14Å; S130-S221 WeakPolarHBondContact OG-CB 3.46Å; S130-S221 PolarHBondContact OG-OG 3.18Å
131L94.8Very high88.9Confident1 Ų113 Ų131%0.0056%0.064CC..Hα-helixtrans-59.7-48.8173.3-78.3168.8000111.2P82 N85 V127 G128 S129 Y133 Y134 Y135 M181 M339P82-L131 HydrophobicContact CB-CB 4.46Å; N85-L131 HydrophobicContact CB-CD1 4.24Å; V127-L131 PolarHBondContact O-N 2.71Å; G128-L131 WeakPolarHBondContact O-CB 3.16Å; G128-L131 PolarHBondContact O-N 2.9Å; S129-L131 VanDerWaalsContact C-N 3.3Å; S129-L131 PolarHBondContact O-N 2.78Å; L131-Y133 VanDerWaalsContact C-N 3.33Å; L131-Y133 PolarHBondContact O-N 3.41Å; L131-Y134 PolarHBondContact O-N 2.93Å; L131-Y135 HydrophobicContact CD2-CE2 4.01Å; L131-Y135 VanDerWaalsContact O-CD2 3.28Å; L131-Y135 WeakPolarHBondContact O-CD2 3.46Å; L131-Y135 PolarHBondContact O-N 2.87Å; L131-M181 HydrophobicContact CD2-CE 3.54Å; L131-M181 HydrophobicContact CD2-SD 3.91Å; L131-M181 HydrophobicContact CG-CE 3.62Å; L131-M181 HydrophobicContact CG-SD 4.26Å; L131-M339 HydrophobicContact CD1-CG 3.7Å; L131-M339 HydrophobicContact CD1-SD 3.97Å
132A95.3Very high86.5Confident0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-60.3-42.7178.300000111.9Y86 G128 S129 Y135 Y136 I304Y86-A132 HydrophobicContact CD2-CB 4.45Å; G128-A132 PolarHBondContact O-N 3.18Å; G128-A132 VanDerWaalsContact O-N 3.12Å; S129-A132 WeakPolarHBondContact O-CB 3.3Å; S129-A132 PolarHBondContact O-N 3.43Å; A132-Y135 PolarHBondContact O-N 3.35Å; A132-Y136 HydrophobicContact CB-CD2 4.12Å; A132-Y136 HydrophobicContact CB-CE2 4.38Å; A132-Y136 WeakPolarHBondContact O-CB 3.45Å; A132-Y136 VanDerWaalsContact O-CD2 3.29Å; A132-Y136 WeakPolarHBondContact O-CD2 3.36Å; A132-Y136 PolarHBondContact O-N 2.97Å; A132-I304 HydrophobicContact CB-CD1 3.86Å; A132-I304 HydrophobicContact CB-CG1 4.45Å; A132-I304 HydrophobicContact CB-CG2 4.36Å
133Y94.3Very high84.2Confident2 Ų214.9 Ų14.91%0.0088%0.076CC..Iπ-helixtrans-65.8-40.3177-62.8-13.9000112.6S129 S130 L131 I137 H138 S221 V225 E300 M303 I304S129-Y133 VanDerWaalsContact O-CG 3.32Å; S129-Y133 PolarHBondContact O-N 3.38Å; S129-Y133 WeakPolarHBondContact OG-CE2 3.07Å; S130-Y133 PolarHBondContact O-N 3.15Å; L131-Y133 VanDerWaalsContact C-N 3.33Å; L131-Y133 PolarHBondContact O-N 3.41Å; Y133-I137 HydrophobicContact CD1-CD1 3.52Å; Y133-I137 HydrophobicContact CD1-CG1 4.37Å; Y133-I137 HydrophobicContact CE1-CD1 3.98Å; Y133-I137 HydrophobicContact CG-CD1 4.31Å; Y133-I137 CarbonylContact O-C 3.59Å; Y133-I137 WeakPolarHBondContact O-CA 3.38Å; Y133-I137 WeakPolarHBondContact O-CB 3.4Å; Y133-I137 PolarHBondContact O-N 3.22Å; Y133-H138 PolarHBondContact O-N 2.96Å; Y133-S221 VanDerWaalsContact CD2-O 3.32Å; Y133-S221 WeakPolarHBondContact CD2-O 3.44Å; Y133-V225 HydrophobicContact CD1-CG2 4.26Å; Y133-V225 HydrophobicContact CD2-CG2 4.01Å; Y133-V225 HydrophobicContact CE1-CG2 4.31Å; Y133-V225 HydrophobicContact CE2-CG2 4.03Å; Y133-V225 HydrophobicContact CG-CG2 4.09Å; Y133-E300 HydrophobicContact CE1-CG 4.04Å; Y133-E300 VanDerWaalsContact CZ-OE1 3.27Å; Y133-E300 VanDerWaalsContact OH-CD 3.3Å; Y133-E300 VanDerWaalsContact OH-CG 3.26Å; Y133-E300 WeakPolarHBondContact OH-CG 3.46Å; Y133-E300 PolarHBondContact OH-OE1 3Å; Y133-M303 HydrophobicContact CD1-CE 4.14Å; Y133-M303 HydrophobicContact CE1-CE 3.25Å; Y133-M303 WeakPolarHBondContact OH-CE 3.37Å; Y133-I304 HydrophobicContact CD1-CD1 4.28Å; Y133-I304 HydrophobicContact CD1-CG1 4.13Å; Y133-I304 HydrophobicContact CE1-CD1 3.91Å; Y133-I304 HydrophobicContact CE1-CG1 3.92Å
134Y90.6Very high81.8Confident18 Ų1816.9 Ų16.97%0.0719%0.088CC..Iπ-helixtrans-63.8-40.9177.8-179.7-96.2000112.3S130 L131 H138 F176 E177 Y180 L327S130-Y134 VanDerWaalsContact O-CB 3.28Å; S130-Y134 WeakPolarHBondContact O-CB 3.21Å; S130-Y134 PolarHBondContact O-N 3.06Å; L131-Y134 PolarHBondContact O-N 2.93Å; Y134-H138 WeakPolarHBondContact O-CB 3.45Å; Y134-F176 HydrophobicContact CE2-CB 4.42Å; Y134-F176 WeakPolarHBondContact CE2-O 3.45Å; Y134-E177 PolarHBondContact OH-OE2 3.3Å; Y134-Y180 AromaticContact CD2-CD1 3.86Å; Y134-Y180 HydrophobicContact CD2-CD1 3.86Å; Y134-Y180 HydrophobicContact CD2-CE1 4.35Å; Y134-Y180 HydrophobicContact CG-CD1 4.36Å; Y134-L327 WeakPolarHBondContact OH-CD2 3.31Å
135Y88.5Confident79.3Confident35 Ų3520.8 Ų20.814%0.13711%0.105CC..Iπ-helixtrans-87.7-32.9-177.7-75.2-76000114.2P82 L131 A132 A141 P330 S334 T335P82-Y135 HydrophobicContact CB-CD2 3.85Å; P82-Y135 HydrophobicContact CB-CG 4.33Å; P82-Y135 HydrophobicContact CG-CD1 4.45Å; P82-Y135 HydrophobicContact CG-CD2 3.33Å; P82-Y135 HydrophobicContact CG-CE2 4.01Å; P82-Y135 HydrophobicContact CG-CG 3.6Å; L131-Y135 HydrophobicContact CD2-CE2 4.01Å; L131-Y135 VanDerWaalsContact O-CD2 3.28Å; L131-Y135 WeakPolarHBondContact O-CD2 3.46Å; L131-Y135 PolarHBondContact O-N 2.87Å; A132-Y135 PolarHBondContact O-N 3.35Å; Y135-A141 WeakPolarHBondContact O-CB 3.28Å; Y135-P330 HydrophobicContact CD1-CB 4.15Å; Y135-P330 HydrophobicContact CD1-CG 4.37Å; Y135-P330 HydrophobicContact CE1-CB 3.89Å; Y135-P330 HydrophobicContact CE1-CG 4.44Å; Y135-P330 HydrophobicContact CE2-CB 4.47Å; Y135-S334 WeakPolarHBondContact OH-CB 2.96Å; Y135-S334 PolarHBondContact OH-OG 3.42Å; Y135-T335 HydrophobicContact CE2-CG2 3.98Å
136Y89.9Confident76.7Confident3 Ų328 Ų281%0.01214%0.137CC..Iπ-helixtrans-105.7-29.1-173.5-54.7-51.5000114.8F79 P82 M83 A132 A141 I304 V308 I311F79-Y136 HydrophobicContact CD2-CE1 4.33Å; F79-Y136 HydrophobicContact CE1-CE1 4.25Å; F79-Y136 HydrophobicContact CE2-CD1 4.26Å; F79-Y136 AromaticContact CE2-CE1 3.88Å; F79-Y136 HydrophobicContact CE2-CE1 3.88Å; F79-Y136 HydrophobicContact CZ-CD1 4.24Å; F79-Y136 AromaticContact CZ-CE1 3.83Å; F79-Y136 HydrophobicContact CZ-CE1 3.83Å; F79-Y136 WeakPolarHBondContact O-CE1 3.35Å; F79-Y136 PolarHBondContact O-OH 3.37Å; P82-Y136 HydrophobicContact CB-CE2 4Å; M83-Y136 HydrophobicContact CB-CE2 3.91Å; M83-Y136 WeakPolarHBondContact CB-OH 3.38Å; M83-Y136 PolarHBondContact N-OH 3.2Å; M83-Y136 HydrophobicContact SD-CE2 4.39Å; A132-Y136 HydrophobicContact CB-CD2 4.12Å; A132-Y136 HydrophobicContact CB-CE2 4.38Å; A132-Y136 WeakPolarHBondContact O-CB 3.45Å; A132-Y136 VanDerWaalsContact O-CD2 3.29Å; A132-Y136 WeakPolarHBondContact O-CD2 3.36Å; A132-Y136 PolarHBondContact O-N 2.97Å; Y136-A141 WeakPolarHBondContact O-CB 3.18Å; Y136-I304 HydrophobicContact CD2-CG2 3.77Å; Y136-I304 HydrophobicContact CE2-CG2 4.39Å; Y136-V308 HydrophobicContact CD1-CG2 3.73Å; Y136-V308 HydrophobicContact CD2-CG2 3.78Å; Y136-V308 HydrophobicContact CE1-CG2 4.02Å; Y136-V308 HydrophobicContact CE2-CG2 4.05Å; Y136-V308 HydrophobicContact CG-CG2 3.61Å; Y136-I311 HydrophobicContact CD1-CD1 4.26Å
137I88.6Confident73.9Confident0 Ų033.9 Ų33.90%016%0.163CC..Iπ-helixtrans-107.1-28-172.6-53.3-173.5000112.1Y133 V225 R228 M248 M303 I304 E307Y133-I137 HydrophobicContact CD1-CD1 3.52Å; Y133-I137 HydrophobicContact CD1-CG1 4.37Å; Y133-I137 HydrophobicContact CE1-CD1 3.98Å; Y133-I137 HydrophobicContact CG-CD1 4.31Å; Y133-I137 CarbonylContact O-C 3.59Å; Y133-I137 WeakPolarHBondContact O-CA 3.38Å; Y133-I137 WeakPolarHBondContact O-CB 3.4Å; Y133-I137 PolarHBondContact O-N 3.22Å; I137-V225 HydrophobicContact CD1-CG2 4Å; I137-V225 HydrophobicContact CG2-CG2 4.15Å; I137-R228 HydrophobicContact CG2-CB 3.99Å; I137-R228 HydrophobicContact CG2-CG 4.1Å; I137-M248 HydrophobicContact CG2-SD 4.15Å; I137-M303 HydrophobicContact CD1-CE 3.66Å; I137-M303 HydrophobicContact CD1-CG 4.4Å; I137-M303 HydrophobicContact CD1-SD 4.26Å; I137-I304 HydrophobicContact CD1-CG1 4.31Å; I137-E307 HydrophobicContact CG1-CB 4.34Å; I137-E307 HydrophobicContact CG1-CG 4.16Å
138H78Confident71.1Confident1 Ų141.7 Ų41.71%0.00521%0.205CC..SBendtrans-48148.1-179.5-177.3-99.9000112.4Y133 Y134 R140 A141 F176Y133-H138 PolarHBondContact O-N 2.96Å; Y134-H138 WeakPolarHBondContact O-CB 3.45Å; H138-R140 PolarHBondContact O-N 3.35Å; H138-A141 VanDerWaalsContact O-CB 3.3Å; H138-A141 WeakPolarHBondContact O-CB 2.87Å; H138-A141 PolarHBondContact O-N 3.35Å; H138-F176 AromaticContact CD2-CD1 3.38Å; H138-F176 WeakPolarHBondContact CD2-CD1 3.2Å; H138-F176 AromaticContact CD2-CE1 3.96Å; H138-F176 AromaticContact CD2-CG 3.5Å; H138-F176 VanDerWaalsContact CD2-CG 3.5Å; H138-F176 WeakPolarHBondContact CD2-CG 3.42Å; H138-F176 WeakPolarHBondContact NE2-CB 3.14Å; H138-F176 AromaticContact NE2-CD1 3.67Å; H138-F176 AromaticContact NE2-CD2 3.76Å; H138-F176 AromaticContact NE2-CG 3.22Å; H138-F176 WeakPolarHBondContact NE2-CG 3.17Å
139P59.2Low68.2Low26 Ų2649.1 Ų49.117%0.16924%0.237CC..THydrogen-bonded Turntrans-61.3-8.4-166.9-2740.3000116.3Y227P139-Y227 HydrophobicContact CB-CD1 3.88Å; P139-Y227 HydrophobicContact CB-CE1 3.44Å; P139-Y227 VanDerWaalsContact CB-CE1 3.44Å; P139-Y227 HydrophobicContact CG-CD1 3.05Å; P139-Y227 HydrophobicContact CG-CE1 3.1Å; P139-Y227 HydrophobicContact CG-CG 3.93Å
140R61.4Low65.2Low68 Ų6855.8 Ų55.826%0.25727%0.272SS..THydrogen-bonded Turntrans-110.8-2.7179.9-61.9178.6174.3179.1-8.2113.3H138 G142 N173 E177 L327H138-R140 PolarHBondContact O-N 3.35Å; R140-G142 PolarHBondContact O-N 2.91Å; R140-G142 VanDerWaalsContact O-N 3.17Å; R140-N173 PolarHBondContact NH2-ND2 2.95Å; R140-N173 PolarHBondContact NH2-OD1 3.11Å; R140-E177 IonicContact NH1-OE1 3.36Å; R140-E177 PolarHBondContact NH1-OE1 3.22Å; R140-L327 HydrophobicContact CB-CD1 3.83Å
141A56.8Low62.6Low7 Ų759.9 Ų59.96%0.05832%0.315CS..THydrogen-bonded Turntrans-63116.4177.200000109.5Y135 Y136 H138 I311Y135-A141 WeakPolarHBondContact O-CB 3.28Å; Y136-A141 WeakPolarHBondContact O-CB 3.18Å; H138-A141 VanDerWaalsContact O-CB 3.3Å; H138-A141 WeakPolarHBondContact O-CB 2.87Å; H138-A141 PolarHBondContact O-N 3.35Å; A141-I311 HydrophobicContact CB-CD1 3.97Å
142G47.8Very low59.5Low14 Ų1464.9 Ų64.914%0.14435%0.35CS..THydrogen-bonded Turntrans8214.3174.500000117R140 N314R140-G142 PolarHBondContact O-N 2.91Å; R140-G142 VanDerWaalsContact O-N 3.17Å; G142-N314 PolarHBondContact O-ND2 2.84Å
143I48.4Very low56.7Low85 Ų8570.5 Ų70.544%0.43639%0.388SS..  trans-109.5110.7175.7-50.8173.5000109.7P234I143-P234 HydrophobicContact CD1-CB 3.39Å; I143-P234 HydrophobicContact CD1-CG 4.33Å; I143-P234 HydrophobicContact CG1-CB 4.02Å
144V46.5Very low53.8Low43 Ų4377.8 Ų77.826%0.26143%0.426SS..  trans-77.2133.2169.8-179.90000108.4K146 D316 A323V144-K146 PolarHBondContact O-N 2.96Å; V144-D316 HydrophobicContact CB-CB 4.38Å; V144-D316 HydrophobicContact CG2-CB 4.06Å; V144-A323 HydrophobicContact CG1-CB 3.34Å
145E44.3Very low50.8Low93 Ų9384.8 Ų84.844%0.43547%0.465SS..  trans-68.1120.2165.9-94.9-165.5126.900109.2E147 R326E145-E147 PolarHBondContact O-N 3.42Å; E145-R326 HydrophobicContact CG-CG 4.43Å; E145-R326 IonicContact OE1-CZ 2.57Å; E145-R326 IonicContact OE1-NE 2.71Å; E145-R326 PolarHBondContact OE1-NE 3.22Å; E145-R326 IonicContact OE1-NH2 3.36Å; E145-R326 PolarHBondContact OE1-NH2 2.95Å; E145-R326 IonicContact OE2-CZ 3.27Å; E145-R326 IonicContact OE2-NE 3.18Å; E145-R326 PolarHBondContact OE2-NE 3.34Å; E145-R326 IonicContact OE2-NH2 2.72Å; E145-R326 PolarHBondContact OE2-NH2 3.26Å
146K42.1Very low48.3Very low176 Ų17690 Ų9077%0.76549%0.493SS*.  trans-65.8111.3149.4-83.7-177.1175.31780106.2V144 D148V144-K146 PolarHBondContact O-N 2.96Å; K146-D148 PolarHBondContact O-N 3.38Å
147E38.7Very low45.6Very low135 Ų13596 Ų9663%0.63153%0.526SS*.  trans-51.8116.3155.8-76.4-174.6151.900106.2E145 K149E145-E147 PolarHBondContact O-N 3.42Å; E147-K149 HydrophobicContact CB-CG 4.38Å; E147-K149 PolarHBondContact O-N 3.49Å; E147-K149 WeakPolarHBondContact OE2-CE 3.39Å; E147-K149 IonicContact OE2-NZ 3.06Å; E147-K149 PolarHBondContact OE2-NZ 3.17Å
148D37.4Very low42.7Very low163 Ų163105.2 Ų105.287%0.87257%0.568SS**  trans-66.770.7164.1-83.4-28.6000108K146 N150K146-D148 PolarHBondContact O-N 3.38Å; D148-N150 PolarHBondContact O-N 2.89Å
149K37.6Very low40.5Very low156 Ų156113.4 Ų113.468%0.67860%0.604SS**  trans-75.581.4156.7-80.6179.6175.8140.60106.3E147E147-K149 HydrophobicContact CB-CG 4.38Å; E147-K149 PolarHBondContact O-N 3.49Å; E147-K149 WeakPolarHBondContact OE2-CE 3.39Å; E147-K149 IonicContact OE2-NZ 3.06Å; E147-K149 PolarHBondContact OE2-NZ 3.17Å
150N32.5Very low39.2Very low145 Ų145122.9 Ų122.978%0.77564%0.636SS**  trans-169.193.6141.3-88.8-15.5000108.7D148 S152D148-N150 PolarHBondContact O-N 2.89Å; N150-S152 PolarHBondContact O-N 3.23Å; N150-S152 VanDerWaalsContact O-N 3.11Å
151G41.9Very low37.7Very low87 Ų87129 Ų12990%0.89767%0.665SS**  trans-61.6106.315000000108.5
152S29Very low36.4Very low106 Ų106132.4 Ų132.474%0.74170%0.7SS**  trans-149.5122.4145.963.60000109.2N150N150-S152 PolarHBondContact O-N 3.23Å; N150-S152 VanDerWaalsContact O-N 3.11Å
153C37.5Very low35.8Very low117 Ų117137.8 Ų137.879%0.79172%0.72SS**  trans-45.6152171.2-166.70000112.7
154L33.8Very low35.2Very low155 Ų155141.3 Ų141.381%0.81274%0.739SS**  trans79.990.8174.4-66.5122.3000117
155D27.5Very low34.4Very low165 Ų165142.6 Ų142.688%0.88275%0.75SS**  -155.4111.4109.8-134.4-11.6000111.5
156I36.3Very low34.1Very low144 Ų144142.7 Ų142.774%0.73876%0.758SS**  trans-88123.8174-68.3171.9000106.3
157N31.5Very low33.9Very low129 Ų129141.1 Ų141.169%0.6976%0.758SS**  trans102.278.1169.4-57.9-45.8000117.3
158H29.4Very low34Very low194 Ų194137.9 Ų137.990%0.89876%0.755SS**  -140.5102123.1-114.2-64.7000110R160H158-R160 PolarHBondContact O-N 3.32Å
159K30.2Very low34.7Very low174 Ų174132.8 Ų132.876%0.75773%0.727SS**  trans-53.4106.6178.7-83.4172.1174.2167.60110.7K161K159-K161 PolarHBondContact O-N 3.44Å
160R33.1Very low35.4Very low224 Ų224129.3 Ų129.385%0.84572%0.72SS**  trans-56.381.9154.1-176-178.8-86179.5-5.3108.6H158H158-R160 PolarHBondContact O-N 3.32Å
161K30.2Very low36.8Very low197 Ų197130.1 Ų130.186%0.85772%0.719SS**  trans-92.7101.1170.6-106.2-176.1175.3-176.40108.2K159K159-K161 PolarHBondContact O-N 3.44Å
162G28.2Very low38Very low78 Ų78129 Ų12980%0.80469%0.69SS**  trans14839.7178.600000112.8
163F36Very low39.9Very low128 Ų128125.7 Ų125.756%0.56166%0.664SS**  trans-120.1120.8168.7-153.6-104.1000106.2S165 M169F163-S165 PolarHBondContact O-N 2.78Å; F163-M169 HydrophobicContact CE1-CG 4.47Å; F163-M169 HydrophobicContact CE1-SD 4.24Å; F163-M169 HydrophobicContact CZ-SD 3.91Å
164L35Very low41.7Very low158 Ų158124.7 Ų124.783%0.82765%0.65SS**  trans-51.7138.2161.1-92.496.2000108
165S30.6Very low44Very low71 Ų71120 Ų12050%0.49762%0.623SS.*  trans-37.8138.6-174-175.80000115.1F163 N167 A168F163-S165 PolarHBondContact O-N 2.78Å; S165-N167 PolarHBondContact O-N 3.49Å; S165-A168 PolarHBondContact O-N 2.78Å
166P38.5Very low46.5Very low94 Ų94112.2 Ų112.261%0.6158%0.582SS**G310 helixtrans-59.7-16.6178.6-18.730.1000114.7
167N36Very low48.5Very low143 Ų143108.7 Ų108.777%0.76556%0.562SS**G310 helixtrans-83-11.5-174.1-68.4-4.5000114.3S165S165-N167 PolarHBondContact O-N 3.49Å
168A41.5Very low50.9Low68 Ų68106 Ų10656%0.56255%0.55SS*.G310 helixtrans-94-5.9177.400000113.8S165S165-A168 PolarHBondContact O-N 2.78Å
169M51.5Low53.7Low56 Ų56102.6 Ų102.628%0.27653%0.53SS..Hα-helixtrans-85.4-22.6-174.4-74.8-121.275.500117F163 N173F163-M169 HydrophobicContact CE1-CG 4.47Å; F163-M169 HydrophobicContact CE1-SD 4.24Å; F163-M169 HydrophobicContact CZ-SD 3.91Å; M169-N173 PolarHBondContact O-ND2 2.97Å
170P54.2Low56.6Low83 Ų8394.3 Ų94.354%0.53949%0.494SS..Hα-helixtrans-71.8-47.9-179.3-1830.4000113.2F172 N173 L174P170-F172 PolarHBondContact O-N 2.97Å; P170-N173 PolarHBondContact O-N 3.45Å; P170-L174 PolarHBondContact O-N 3.26Å; P170-L174 VanDerWaalsContact O-N 3.08Å
171E60.6Low59.5Low162 Ų16285.1 Ų85.176%0.75746%0.461SS*.Hα-helixtrans-67.9-37.4-174.2-64.2-175.316900112.5L174 F175E171-L174 WeakPolarHBondContact O-CB 3.3Å; E171-L174 PolarHBondContact O-N 3.38Å; E171-F175 PolarHBondContact O-N 3.4Å
172F67.3Low62.5Low64 Ų6479.1 Ų79.128%0.28144%0.442SS..Hα-helixtrans-68.5-39.3179.3-165.8-103000112P170 F175 F176 Y227P170-F172 PolarHBondContact O-N 2.97Å; F172-F175 WeakPolarHBondContact O-CB 3.43Å; F172-F175 PolarHBondContact O-N 3.19Å; F172-F176 HydrophobicContact CD1-CD2 4.11Å; F172-F176 AromaticContact CD1-CE2 3.79Å; F172-F176 HydrophobicContact CD1-CE2 3.79Å; F172-F176 HydrophobicContact CD2-CE2 4.42Å; F172-F176 AromaticContact CE1-CD2 3.94Å; F172-F176 HydrophobicContact CE1-CD2 3.94Å; F172-F176 AromaticContact CE1-CE2 3.21Å; F172-F176 HydrophobicContact CE1-CE2 3.21Å; F172-F176 HydrophobicContact CE1-CZ 4.1Å; F172-F176 AromaticContact CE2-CE2 3.93Å; F172-F176 HydrophobicContact CE2-CE2 3.93Å; F172-F176 HydrophobicContact CG-CE2 4.38Å; F172-F176 HydrophobicContact CZ-CD2 4.38Å; F172-F176 AromaticContact CZ-CE2 3.32Å; F172-F176 HydrophobicContact CZ-CE2 3.32Å; F172-F176 AromaticContact CZ-CZ 3.93Å; F172-F176 HydrophobicContact CZ-CZ 3.93Å; F172-F176 VanDerWaalsContact O-CD2 3.29Å; F172-F176 WeakPolarHBondContact O-CD2 3.48Å; F172-F176 PolarHBondContact O-N 3.44Å; F172-Y227 AromaticContact CD1-CD2 3.96Å; F172-Y227 HydrophobicContact CD1-CD2 3.96Å; F172-Y227 AromaticContact CD1-CE2 3.73Å; F172-Y227 HydrophobicContact CD1-CE2 3.73Å; F172-Y227 AromaticContact CE1-CD2 2.96Å; F172-Y227 HydrophobicContact CE1-CD2 2.96Å; F172-Y227 AromaticContact CE1-CE2 3.19Å; F172-Y227 HydrophobicContact CE1-CE2 3.19Å; F172-Y227 AromaticContact CE1-CG 3.67Å; F172-Y227 HydrophobicContact CE1-CG 3.67Å; F172-Y227 HydrophobicContact CE2-CD2 4.4Å; F172-Y227 AromaticContact CZ-CD2 3.23Å; F172-Y227 HydrophobicContact CZ-CD2 3.23Å; F172-Y227 AromaticContact CZ-CE2 3.89Å; F172-Y227 HydrophobicContact CZ-CE2 3.89Å; F172-Y227 AromaticContact CZ-CG 3.92Å; F172-Y227 HydrophobicContact CZ-CG 3.92Å
173N68.9Low65.7Low36 Ų3677.5 Ų77.519%0.19342%0.418CS..Hα-helixtrans-66.4-40.6173.4-73.4-50.9000111.2R140 M169 P170 F175 F176 E177R140-N173 PolarHBondContact NH2-ND2 2.95Å; R140-N173 PolarHBondContact NH2-OD1 3.11Å; M169-N173 PolarHBondContact O-ND2 2.97Å; P170-N173 PolarHBondContact O-N 3.45Å; N173-F175 VanDerWaalsContact C-N 3.28Å; N173-F175 PolarHBondContact O-N 2.86Å; N173-F176 PolarHBondContact O-N 3.49Å; N173-E177 VanDerWaalsContact O-CG 3.26Å; N173-E177 WeakPolarHBondContact O-CG 3.45Å; N173-E177 PolarHBondContact O-N 3.06Å; N173-E177 VanDerWaalsContact O-N 3.09Å
174L76.5Confident68.5Low95 Ų9571.4 Ų71.450%0.49739%0.391SS..Hα-helixtrans-59.4-39.5175.5-177.267.9000112P170 E171 T178 Y179P170-L174 PolarHBondContact O-N 3.26Å; P170-L174 VanDerWaalsContact O-N 3.08Å; E171-L174 WeakPolarHBondContact O-CB 3.3Å; E171-L174 PolarHBondContact O-N 3.38Å; L174-T178 WeakPolarHBondContact O-CB 3.07Å; L174-T178 PolarHBondContact O-N 3.04Å; L174-T178 PolarHBondContact O-OG1 3.18Å; L174-Y179 HydrophobicContact CD2-CE2 4.49Å; L174-Y179 HydrophobicContact CG-CE2 4.28Å
175F81.2Confident71.5Confident56 Ų5664.9 Ų64.925%0.24636%0.359CS..Iπ-helixtrans-57.4-49.4175.5176.6-98.7000112.4E171 F172 N173 Y179 Y180 T223E171-F175 PolarHBondContact O-N 3.4Å; F172-F175 WeakPolarHBondContact O-CB 3.43Å; F172-F175 PolarHBondContact O-N 3.19Å; N173-F175 VanDerWaalsContact C-N 3.28Å; N173-F175 PolarHBondContact O-N 2.86Å; F175-Y179 CarbonylContact O-C 3.53Å; F175-Y179 WeakPolarHBondContact O-CA 3.32Å; F175-Y179 WeakPolarHBondContact O-CB 3.15Å; F175-Y179 PolarHBondContact O-N 3.01Å; F175-Y180 HydrophobicContact CE1-CD2 4.19Å; F175-Y180 PolarHBondContact O-N 2.65Å; F175-T223 HydrophobicContact CE1-CG2 4.32Å
176F80.7Confident74.6Confident3 Ų365.4 Ų65.41%0.01336%0.359CS..Iπ-helixtrans-66.1-46179.5-79.2-76.3000113.2Y134 H138 F172 N173 T178 Y180 T223 P224Y134-F176 HydrophobicContact CE2-CB 4.42Å; Y134-F176 WeakPolarHBondContact CE2-O 3.45Å; H138-F176 AromaticContact CD2-CD1 3.38Å; H138-F176 WeakPolarHBondContact CD2-CD1 3.2Å; H138-F176 AromaticContact CD2-CE1 3.96Å; H138-F176 AromaticContact CD2-CG 3.5Å; H138-F176 VanDerWaalsContact CD2-CG 3.5Å; H138-F176 WeakPolarHBondContact CD2-CG 3.42Å; H138-F176 WeakPolarHBondContact NE2-CB 3.14Å; H138-F176 AromaticContact NE2-CD1 3.67Å; H138-F176 AromaticContact NE2-CD2 3.76Å; H138-F176 AromaticContact NE2-CG 3.22Å; H138-F176 WeakPolarHBondContact NE2-CG 3.17Å; F172-F176 HydrophobicContact CD1-CD2 4.11Å; F172-F176 AromaticContact CD1-CE2 3.79Å; F172-F176 HydrophobicContact CD1-CE2 3.79Å; F172-F176 HydrophobicContact CD2-CE2 4.42Å; F172-F176 AromaticContact CE1-CD2 3.94Å; F172-F176 HydrophobicContact CE1-CD2 3.94Å; F172-F176 AromaticContact CE1-CE2 3.21Å; F172-F176 HydrophobicContact CE1-CE2 3.21Å; F172-F176 HydrophobicContact CE1-CZ 4.1Å; F172-F176 AromaticContact CE2-CE2 3.93Å; F172-F176 HydrophobicContact CE2-CE2 3.93Å; F172-F176 HydrophobicContact CG-CE2 4.38Å; F172-F176 HydrophobicContact CZ-CD2 4.38Å; F172-F176 AromaticContact CZ-CE2 3.32Å; F172-F176 HydrophobicContact CZ-CE2 3.32Å; F172-F176 AromaticContact CZ-CZ 3.93Å; F172-F176 HydrophobicContact CZ-CZ 3.93Å; F172-F176 VanDerWaalsContact O-CD2 3.29Å; F172-F176 WeakPolarHBondContact O-CD2 3.48Å; F172-F176 PolarHBondContact O-N 3.44Å; N173-F176 PolarHBondContact O-N 3.49Å; F176-T178 PolarHBondContact O-N 3.35Å; F176-Y180 HydrophobicContact CD1-CD2 4.18Å; F176-Y180 HydrophobicContact CD1-CG 4.11Å; F176-Y180 HydrophobicContact CE1-CD2 4.07Å; F176-Y180 HydrophobicContact CE1-CE2 4.39Å; F176-Y180 HydrophobicContact CE1-CG 4.46Å; F176-T223 HydrophobicContact CE1-CG2 4.37Å; F176-T223 HydrophobicContact CE2-CG2 4.46Å; F176-T223 HydrophobicContact CZ-CG2 3.68Å; F176-P224 HydrophobicContact CD1-CG 4.45Å; F176-P224 HydrophobicContact CE1-CB 4.12Å; F176-P224 HydrophobicContact CE1-CG 3.68Å
177E77Confident77.4Confident69 Ų6961.8 Ų61.832%0.32233%0.334SS..Iπ-helixtrans-70.6-33.2-174.2-59.6-68.3178.600112.3Y134 R140 N173 L327Y134-E177 PolarHBondContact OH-OE2 3.3Å; R140-E177 IonicContact NH1-OE1 3.36Å; R140-E177 PolarHBondContact NH1-OE1 3.22Å; N173-E177 VanDerWaalsContact O-CG 3.26Å; N173-E177 WeakPolarHBondContact O-CG 3.45Å; N173-E177 PolarHBondContact O-N 3.06Å; N173-E177 VanDerWaalsContact O-N 3.09Å; E177-L327 VanDerWaalsContact OE1-CD2 3.25Å; E177-L327 WeakPolarHBondContact OE1-CD2 3.17Å; E177-L327 WeakPolarHBondContact OE2-CD2 3.38Å
178T83.1Confident80.3Confident72 Ų7255 Ų5544%0.44230%0.298SS..Iπ-helixtrans-110.9-40.4-171.7-53.10000113.6L174 F176 P182L174-T178 WeakPolarHBondContact O-CB 3.07Å; L174-T178 PolarHBondContact O-N 3.04Å; L174-T178 PolarHBondContact O-OG1 3.18Å; F176-T178 PolarHBondContact O-N 3.35Å; T178-P182 WeakPolarHBondContact O-CD 3.48Å; T178-P182 WeakPolarHBondContact O-CG 3.48Å
179Y87.7Confident83Confident124 Ų12454 Ų5449%0.48628%0.283SS..Iπ-helixtrans-108.1-26-164.4-65.3-73.7000114.4L174 F175 M181 P182 C183L174-Y179 HydrophobicContact CD2-CE2 4.49Å; L174-Y179 HydrophobicContact CG-CE2 4.28Å; F175-Y179 CarbonylContact O-C 3.53Å; F175-Y179 WeakPolarHBondContact O-CA 3.32Å; F175-Y179 WeakPolarHBondContact O-CB 3.15Å; F175-Y179 PolarHBondContact O-N 3.01Å; Y179-M181 PolarHBondContact O-N 2.92Å; Y179-P182 WeakPolarHBondContact O-CD 3.25Å; Y179-C183 VanDerWaalsContact O-CB 3.24Å; Y179-C183 WeakPolarHBondContact O-CB 3.28Å; Y179-C183 PolarHBondContact O-N 3.35Å; Y179-C183 PolarHBondContact O-SG 3.44Å
180Y91.5Very high85.1Confident0 Ų054.7 Ų54.70%029%0.287CS..Hα-helixtrans-57.4-52.3-173.7176.7-101000113.4S130 Y134 F175 F176 C183 A184 I220 S221 P224S130-Y180 WeakPolarHBondContact CA-OH 3.15Å; S130-Y180 WeakPolarHBondContact CB-OH 3.38Å; S130-Y180 WeakPolarHBondContact O-CE1 3.18Å; S130-Y180 PolarHBondContact O-OH 3.14Å; Y134-Y180 AromaticContact CD2-CD1 3.86Å; Y134-Y180 HydrophobicContact CD2-CD1 3.86Å; Y134-Y180 HydrophobicContact CD2-CE1 4.35Å; Y134-Y180 HydrophobicContact CG-CD1 4.36Å; F175-Y180 HydrophobicContact CE1-CD2 4.19Å; F175-Y180 PolarHBondContact O-N 2.65Å; F176-Y180 HydrophobicContact CD1-CD2 4.18Å; F176-Y180 HydrophobicContact CD1-CG 4.11Å; F176-Y180 HydrophobicContact CE1-CD2 4.07Å; F176-Y180 HydrophobicContact CE1-CE2 4.39Å; F176-Y180 HydrophobicContact CE1-CG 4.46Å; Y180-C183 PolarHBondContact O-N 3.1Å; Y180-A184 PolarHBondContact O-N 2.94Å; Y180-I220 WeakPolarHBondContact CE2-O 3.42Å; Y180-S221 PolarHBondContact OH-O 3.23Å; Y180-P224 HydrophobicContact CE1-CG 4.36Å; Y180-P224 HydrophobicContact CE2-CG 3.87Å; Y180-P224 WeakPolarHBondContact OH-CG 3.14Å
181M92.5Very high87.2Confident30 Ų3050.7 Ų50.715%0.14826%0.261CS..Hα-helixtrans-66.6-47.1-180-71.6-52.1-51.400113.1V127 L131 Y179 C183 A184 C185 V338V127-M181 HydrophobicContact CG1-CE 3.78Å; L131-M181 HydrophobicContact CD2-CE 3.54Å; L131-M181 HydrophobicContact CD2-SD 3.91Å; L131-M181 HydrophobicContact CG-CE 3.62Å; L131-M181 HydrophobicContact CG-SD 4.26Å; Y179-M181 PolarHBondContact O-N 2.92Å; M181-C183 VanDerWaalsContact C-N 3.33Å; M181-C183 PolarHBondContact O-N 2.94Å; M181-A184 PolarHBondContact O-N 2.66Å; M181-C185 PolarHBondContact O-N 3.35Å; M181-C185 PolarHBondContact O-SG 2.8Å; M181-V338 HydrophobicContact CE-CG1 4.25Å
182P94.1Very high88.9Confident71 Ų7143 Ų4346%0.46123%0.225SC..Hα-helixtrans-56.1-43.1171.8-28.936.2000113.7T178 Y179 A184 C185 V186T178-P182 WeakPolarHBondContact O-CD 3.48Å; T178-P182 WeakPolarHBondContact O-CG 3.48Å; Y179-P182 WeakPolarHBondContact O-CD 3.25Å; P182-A184 PolarHBondContact O-N 2.86Å; P182-C185 PolarHBondContact O-N 3.35Å; P182-V186 WeakPolarHBondContact O-CG2 3.23Å; P182-V186 PolarHBondContact O-N 3.31Å
183C94.7Very high90.3Very high44 Ų4443.1 Ų43.130%0.29723%0.228SC..Hα-helixtrans-61.7-43.8177.1-74.30000111.8Y179 Y180 M181 C185 V186 I187 I220Y179-C183 VanDerWaalsContact O-CB 3.24Å; Y179-C183 WeakPolarHBondContact O-CB 3.28Å; Y179-C183 PolarHBondContact O-N 3.35Å; Y179-C183 PolarHBondContact O-SG 3.44Å; Y180-C183 PolarHBondContact O-N 3.1Å; M181-C183 VanDerWaalsContact C-N 3.33Å; M181-C183 PolarHBondContact O-N 2.94Å; C183-C185 VanDerWaalsContact C-N 3.34Å; C183-C185 PolarHBondContact O-N 3.49Å; C183-V186 PolarHBondContact O-N 3.45Å; C183-I187 WeakPolarHBondContact O-CB 3.17Å; C183-I187 WeakPolarHBondContact O-CD1 3.44Å; C183-I187 VanDerWaalsContact O-CG1 3.27Å; C183-I187 WeakPolarHBondContact O-CG1 3.34Å; C183-I187 PolarHBondContact O-N 2.77Å; C183-I220 HydrophobicContact CB-CG2 4.25Å
184A95.8Very high91.7Very high0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-58.9-44.2175.500000111.7V127 Y180 M181 P182 I187 A188V127-A184 HydrophobicContact CG2-CB 4.42Å; Y180-A184 PolarHBondContact O-N 2.94Å; M181-A184 PolarHBondContact O-N 2.66Å; P182-A184 PolarHBondContact O-N 2.86Å; A184-I187 PolarHBondContact O-N 3.4Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.1Å
185C97Very high92.6Very high22 Ų2238.1 Ų38.115%0.14920%0.204CC..Hα-helixtrans-63.9-44.3176.4-69.80000112.9M181 P182 C183 I187 A188 I189 L342M181-C185 PolarHBondContact O-N 3.35Å; M181-C185 PolarHBondContact O-SG 2.8Å; P182-C185 PolarHBondContact O-N 3.35Å; C183-C185 VanDerWaalsContact C-N 3.34Å; C183-C185 PolarHBondContact O-N 3.49Å; C185-I187 VanDerWaalsContact C-N 3.34Å; C185-I187 PolarHBondContact O-N 3.24Å; C185-A188 WeakPolarHBondContact O-CB 3.45Å; C185-A188 PolarHBondContact O-N 3.39Å; C185-I189 WeakPolarHBondContact O-CG1 3.45Å; C185-I189 PolarHBondContact O-N 2.89Å; C185-L342 HydrophobicContact CB-CD1 4.28Å
186V96.8Very high93.3Very high82 Ų8235.5 Ų35.550%0.49719%0.192SC..Hα-helixtrans-61.7-44.2177.6169.40000110.8P182 C183 A188 I189 I190P182-V186 WeakPolarHBondContact O-CG2 3.23Å; P182-V186 PolarHBondContact O-N 3.31Å; C183-V186 PolarHBondContact O-N 3.45Å; V186-A188 VanDerWaalsContact C-N 3.34Å; V186-A188 PolarHBondContact O-N 3.44Å; V186-I189 PolarHBondContact O-N 3.49Å; V186-I190 HydrophobicContact CG1-CD1 3.93Å; V186-I190 WeakPolarHBondContact O-CG1 3.46Å; V186-I190 PolarHBondContact O-N 2.9Å
187I96.1Very high94Very high18 Ų1836.3 Ų36.39%0.09220%0.197CC..Hα-helixtrans-64.2-40.8177.7-71167.1000111.1C183 A184 C185 I189 I190 C191 L216 P217 I220C183-I187 WeakPolarHBondContact O-CB 3.17Å; C183-I187 WeakPolarHBondContact O-CD1 3.44Å; C183-I187 VanDerWaalsContact O-CG1 3.27Å; C183-I187 WeakPolarHBondContact O-CG1 3.34Å; C183-I187 PolarHBondContact O-N 2.77Å; A184-I187 PolarHBondContact O-N 3.4Å; C185-I187 VanDerWaalsContact C-N 3.34Å; C185-I187 PolarHBondContact O-N 3.24Å; I187-I189 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.36Å; I187-I190 PolarHBondContact O-N 2.93Å; I187-C191 WeakPolarHBondContact O-CB 3.42Å; I187-C191 PolarHBondContact O-N 3.48Å; I187-C191 PolarHBondContact O-SG 3.41Å; I187-L216 HydrophobicContact CG2-CB 3.88Å; I187-P217 VanDerWaalsContact CG2-CD 3.46Å; I187-P217 HydrophobicContact CG2-CG 3.72Å; I187-I220 HydrophobicContact CD1-CB 3.49Å; I187-I220 VanDerWaalsContact CD1-CB 3.49Å; I187-I220 HydrophobicContact CD1-CG1 3.44Å; I187-I220 VanDerWaalsContact CD1-CG1 3.44Å; I187-I220 HydrophobicContact CD1-CG2 3.6Å
188A97.3Very high94.8Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-57.8-45.8174.100000111.2S123 V127 A184 C185 V186 I190 C191 V192 L342S123-A188 WeakPolarHBondContact CB-O 3.37Å; S123-A188 PolarHBondContact OG-O 3.45Å; V127-A188 HydrophobicContact CG2-CB 3.63Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.1Å; C185-A188 WeakPolarHBondContact O-CB 3.45Å; C185-A188 PolarHBondContact O-N 3.39Å; V186-A188 VanDerWaalsContact C-N 3.34Å; V186-A188 PolarHBondContact O-N 3.44Å; A188-I190 PolarHBondContact O-N 3.02Å; A188-C191 WeakPolarHBondContact O-CB 3.46Å; A188-C191 PolarHBondContact O-N 3.32Å; A188-V192 WeakPolarHBondContact O-CG2 3.32Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-L342 HydrophobicContact CB-CD1 4.14Å
189I97.8Very high95.2Very high47 Ų4730.6 Ų30.624%0.24116%0.164CC..Hα-helixtrans-61.9-45.1176.4-67.9164.1000111.4C185 V186 I187 C191 V192 L193 L342 T345 I349C185-I189 WeakPolarHBondContact O-CG1 3.45Å; C185-I189 PolarHBondContact O-N 2.89Å; V186-I189 PolarHBondContact O-N 3.49Å; I187-I189 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.36Å; I189-C191 VanDerWaalsContact C-N 3.3Å; I189-C191 PolarHBondContact O-N 3.35Å; I189-V192 PolarHBondContact O-N 3.1Å; I189-L193 HydrophobicContact CG2-CD1 3.78Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CB 3.4Å; I189-L193 WeakPolarHBondContact O-CG 3.3Å; I189-L193 PolarHBondContact O-N 2.92Å; I189-L342 HydrophobicContact CG1-CD1 4.22Å; I189-T345 HydrophobicContact CD1-CG2 3.93Å; I189-T345 HydrophobicContact CG1-CG2 4.14Å; I189-I349 HydrophobicContact CG2-CD1 4.01Å
190I97.2Very high95.2Very high70 Ų7026.3 Ų26.336%0.35915%0.149SC..Hα-helixtrans-58.1-44.5175.8-69.1167.2000110.4V186 I187 A188 L193 S194 V213V186-I190 HydrophobicContact CG1-CD1 3.93Å; V186-I190 WeakPolarHBondContact O-CG1 3.46Å; V186-I190 PolarHBondContact O-N 2.9Å; I187-I190 PolarHBondContact O-N 2.93Å; A188-I190 PolarHBondContact O-N 3.02Å; I190-L193 PolarHBondContact O-N 3.31Å; I190-S194 WeakPolarHBondContact O-CB 3.5Å; I190-S194 PolarHBondContact O-N 3.43Å; I190-S194 PolarHBondContact O-OG 2.91Å; I190-V213 HydrophobicContact CG2-CG2 4.03Å
191C97.1Very high95.1Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-61.2-48.4178.8-68.70000111.8S123 I187 A188 I189 L193 S194 C195 F214 P217S123-C191 WeakPolarHBondContact OG-CB 3.2Å; I187-C191 WeakPolarHBondContact O-CB 3.42Å; I187-C191 PolarHBondContact O-N 3.48Å; I187-C191 PolarHBondContact O-SG 3.41Å; A188-C191 WeakPolarHBondContact O-CB 3.46Å; A188-C191 PolarHBondContact O-N 3.32Å; I189-C191 VanDerWaalsContact C-N 3.3Å; I189-C191 PolarHBondContact O-N 3.35Å; C191-L193 PolarHBondContact O-N 2.97Å; C191-S194 PolarHBondContact O-N 3.14Å; C191-C195 VanDerWaalsContact O-CB 3.32Å; C191-C195 WeakPolarHBondContact O-CB 3.5Å; C191-C195 PolarHBondContact O-N 2.94Å; C191-C195 PolarHBondContact O-SG 2.91Å; C191-F214 HydrophobicContact CB-CE1 4.22Å; C191-P217 VanDerWaalsContact SG-CG 3.52Å
192V97.2Very high95Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-60.6-48.1178.11790000110.8S123 A188 I189 S194 C195 C196 I346 I349S123-V192 WeakPolarHBondContact OG-CG2 3.32Å; A188-V192 WeakPolarHBondContact O-CG2 3.32Å; A188-V192 PolarHBondContact O-N 3.44Å; I189-V192 PolarHBondContact O-N 3.1Å; V192-S194 PolarHBondContact O-N 2.98Å; V192-C195 PolarHBondContact O-N 3.44Å; V192-C196 WeakPolarHBondContact O-CB 3.45Å; V192-C196 PolarHBondContact O-N 2.93Å; V192-C196 PolarHBondContact O-SG 3.32Å; V192-I346 HydrophobicContact CG2-CD1 4.26Å; V192-I346 HydrophobicContact CG2-CG1 4.12Å; V192-I346 HydrophobicContact CG2-CG2 4.33Å; V192-I349 HydrophobicContact CG1-CG2 3.9Å
193L97.3Very high94.6Very high67 Ų6739 Ų3935%0.35119%0.186SC..Hα-helixtrans-60.4-47.1179.9-72.8170.6000111.6I189 I190 C191 C196 N197 I349 F353I189-L193 HydrophobicContact CG2-CD1 3.78Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CB 3.4Å; I189-L193 WeakPolarHBondContact O-CG 3.3Å; I189-L193 PolarHBondContact O-N 2.92Å; I190-L193 PolarHBondContact O-N 3.31Å; C191-L193 PolarHBondContact O-N 2.97Å; L193-C196 PolarHBondContact O-N 2.84Å; L193-N197 WeakPolarHBondContact O-CB 3.41Å; L193-N197 PolarHBondContact O-N 3.41Å; L193-N197 PolarHBondContact O-ND2 3.13Å; L193-I349 HydrophobicContact CD2-CD1 4.15Å; L193-I349 HydrophobicContact CD2-CG1 4.22Å; L193-I349 HydrophobicContact CD2-CG2 3.71Å; L193-I349 HydrophobicContact CG-CD1 4.19Å; L193-I349 HydrophobicContact CG-CG2 4.47Å; L193-F353 HydrophobicContact CD2-CE2 4.07Å
194S96.8Very high94.2Very high26 Ų2645.3 Ų45.318%0.18221%0.211CC..Hα-helixtrans-63-44.7177.2-73.70000111.6I190 C191 V192 C196 N197 T198I190-S194 WeakPolarHBondContact O-CB 3.5Å; I190-S194 PolarHBondContact O-N 3.43Å; I190-S194 PolarHBondContact O-OG 2.91Å; C191-S194 PolarHBondContact O-N 3.14Å; V192-S194 PolarHBondContact O-N 2.98Å; S194-C196 PolarHBondContact O-N 3Å; S194-N197 PolarHBondContact O-N 3.11Å; S194-T198 VanDerWaalsContact O-CG2 3.26Å; S194-T198 WeakPolarHBondContact O-CG2 3.32Å; S194-T198 PolarHBondContact O-N 3.47Å; S194-T198 PolarHBondContact O-OG1 3.16Å
195C95.8Very high93.9Very high0 Ų050.4 Ų50.40%023%0.234CC..Hα-helixtrans-64.6-41.3179.2-67.30000112.2Y119 C191 V192 T198Y119-C195 HydrophobicContact CD1-CB 4.04Å; Y119-C195 HydrophobicContact CD2-CB 3.43Å; Y119-C195 VanDerWaalsContact CD2-CB 3.43Å; Y119-C195 HydrophobicContact CE2-CB 3.98Å; Y119-C195 WeakPolarHBondContact CE2-O 3.31Å; Y119-C195 HydrophobicContact CG-CB 3.47Å; Y119-C195 VanDerWaalsContact CG-CB 3.47Å; C191-C195 VanDerWaalsContact O-CB 3.32Å; C191-C195 WeakPolarHBondContact O-CB 3.5Å; C191-C195 PolarHBondContact O-N 2.94Å; C191-C195 PolarHBondContact O-SG 2.91Å; V192-C195 PolarHBondContact O-N 3.44Å; C195-T198 PolarHBondContact O-N 3.14Å; C195-T198 PolarHBondContact O-OG1 3.41Å
196C95.8Very high93.6Very high0 Ų050.8 Ų50.80%023%0.233CC..Hα-helixtrans-64.6-45175-64.20000111.6F116 V192 L193 S194 T198 R199 Q200 F353F116-C196 HydrophobicContact CD1-CB 3.97Å; F116-C196 VanDerWaalsContact CD1-SG 3.58Å; F116-C196 HydrophobicContact CE1-CB 4.03Å; V192-C196 WeakPolarHBondContact O-CB 3.45Å; V192-C196 PolarHBondContact O-N 2.93Å; V192-C196 PolarHBondContact O-SG 3.32Å; L193-C196 PolarHBondContact O-N 2.84Å; S194-C196 PolarHBondContact O-N 3Å; C196-T198 VanDerWaalsContact C-N 3.34Å; C196-T198 PolarHBondContact O-N 2.87Å; C196-R199 PolarHBondContact O-N 3.3Å; C196-R199 VanDerWaalsContact O-N 3.12Å; C196-Q200 PolarHBondContact O-N 3.42Å; C196-F353 HydrophobicContact CB-CB 4.49Å; C196-F353 HydrophobicContact CB-CD1 3.55Å; C196-F353 HydrophobicContact CB-CD2 3.84Å; C196-F353 HydrophobicContact CB-CE1 3.63Å; C196-F353 HydrophobicContact CB-CE2 3.9Å; C196-F353 HydrophobicContact CB-CG 3.69Å; C196-F353 HydrophobicContact CB-CZ 3.8Å
197N95.1Very high93.3Very high21 Ų2148.1 Ų48.111%0.11221%0.214CC..Hα-helixtrans-62.5-36.6177-84.6-75.4000113.1L193 S194 R199 Q200 R201 W202L193-N197 WeakPolarHBondContact O-CB 3.41Å; L193-N197 PolarHBondContact O-N 3.41Å; L193-N197 PolarHBondContact O-ND2 3.13Å; S194-N197 PolarHBondContact O-N 3.11Å; N197-R199 PolarHBondContact O-N 3.47Å; N197-Q200 PolarHBondContact O-N 3.23Å; N197-R201 PolarHBondContact O-N 3.31Å; N197-W202 HydrophobicContact CB-CD2 4.08Å; N197-W202 HydrophobicContact CB-CE3 3.56Å; N197-W202 HydrophobicContact CB-CH2 3.91Å; N197-W202 HydrophobicContact CB-CZ2 4.39Å; N197-W202 HydrophobicContact CB-CZ3 3.47Å; N197-W202 VanDerWaalsContact CB-CZ3 3.47Å; N197-W202 PolarHBondContact O-N 3.46Å
198T94.1Very high93Very high0 Ų051.2 Ų51.20%023%0.23CC..Hα-helixtrans-66.4-19.1176.359.80000114S194 C195 C196 W202 R203 I209 R210S194-T198 VanDerWaalsContact O-CG2 3.26Å; S194-T198 WeakPolarHBondContact O-CG2 3.32Å; S194-T198 PolarHBondContact O-N 3.47Å; S194-T198 PolarHBondContact O-OG1 3.16Å; C195-T198 PolarHBondContact O-N 3.14Å; C195-T198 PolarHBondContact O-OG1 3.41Å; C196-T198 VanDerWaalsContact C-N 3.34Å; C196-T198 PolarHBondContact O-N 2.87Å; T198-W202 HydrophobicContact CG2-CB 4.38Å; T198-W202 HydrophobicContact CG2-CE3 4.25Å; T198-W202 CarbonylContact O-C 3.56Å; T198-R203 WeakPolarHBondContact O-CA 3.26Å; T198-I209 HydrophobicContact CG2-CB 3.7Å; T198-I209 HydrophobicContact CG2-CD1 4.1Å; T198-I209 HydrophobicContact CG2-CG2 3.48Å; T198-I209 VanDerWaalsContact CG2-CG2 3.48Å; T198-R210 HydrophobicContact CG2-CG 4.34Å; T198-R210 PolarHBondContact OG1-NE 3.23Å; T198-R210 PolarHBondContact OG1-NH2 3.36Å
199R90.9Very high92.8Very high21 Ų2153.4 Ų53.48%0.07924%0.241CC..Hα-helixtrans-83-33.6172.2-73.1-163.574.495.60.8113.2R15 E112 F115 F116 Y119 C196 N197 R203R15-R199 PolarHBondContact NH2-O 3.46Å; E112-R199 VanDerWaalsContact CD-NE 3.34Å; E112-R199 IonicContact OE1-CZ 3.64Å; E112-R199 IonicContact OE1-NE 2.88Å; E112-R199 PolarHBondContact OE1-NE 2.87Å; E112-R199 VanDerWaalsContact OE1-NE 3.14Å; E112-R199 IonicContact OE1-NH2 3.55Å; E112-R199 PolarHBondContact OE1-NH2 2.71Å; E112-R199 IonicContact OE2-NE 3.97Å; E112-R199 PolarHBondContact OE2-NE 3.48Å; F115-R199 VanDerWaalsContact CB-NH1 3.29Å; F115-R199 VanDerWaalsContact CD2-CZ 3.43Å; F116-R199 HydrophobicContact CE1-CB 3.99Å; F116-R199 HydrophobicContact CE1-CG 4.38Å; Y119-R199 HydrophobicContact CE2-CG 3.78Å; C196-R199 PolarHBondContact O-N 3.3Å; C196-R199 VanDerWaalsContact O-N 3.12Å; N197-R199 PolarHBondContact O-N 3.47Å; R199-R203 WeakPolarHBondContact O-CD 3.19Å; R199-R203 WeakPolarHBondContact O-CG 3.46Å
200Q88.4Confident92.6Very high34 Ų3452.8 Ų52.816%0.15924%0.236CC..Hα-helixtrans-95.2-48.3-175.1-69.1-174.2-17.200113F116 C196 N197 F353 H356F116-Q200 HydrophobicContact CZ-CG 4.07Å; C196-Q200 PolarHBondContact O-N 3.42Å; N197-Q200 PolarHBondContact O-N 3.23Å; Q200-F353 VanDerWaalsContact CD-CD1 3.48Å; Q200-F353 HydrophobicContact CG-CD1 4.43Å; Q200-F353 PolarHBondContact NE2-O 2.72Å; Q200-F353 VanDerWaalsContact OE1-CE1 3.32Å; Q200-H356 PolarHBondContact OE1-CD2 3.37Å
201R89.3Confident92.3Very high175 Ų17550.2 Ų50.266%0.6622%0.224SC*.THydrogen-bonded Turntrans-111.2-47.3-169.8-61.6-179.8-177.9177.4-0.7113.2N197 R203N197-R201 PolarHBondContact O-N 3.31Å; R201-R203 PolarHBondContact O-N 3.02Å
202W89.7Confident92.1Very high118 Ų11854.9 Ų54.945%0.44725%0.248SC..  trans-102.550.7-170.6-48.8-40.1000113.2N197 T198 E204 R206 I209N197-W202 HydrophobicContact CB-CD2 4.08Å; N197-W202 HydrophobicContact CB-CE3 3.56Å; N197-W202 HydrophobicContact CB-CH2 3.91Å; N197-W202 HydrophobicContact CB-CZ2 4.39Å; N197-W202 HydrophobicContact CB-CZ3 3.47Å; N197-W202 VanDerWaalsContact CB-CZ3 3.47Å; N197-W202 PolarHBondContact O-N 3.46Å; T198-W202 HydrophobicContact CG2-CB 4.38Å; T198-W202 HydrophobicContact CG2-CE3 4.25Å; T198-W202 CarbonylContact O-C 3.56Å; W202-E204 PolarHBondContact O-N 3.25Å; W202-R206 PolarHBondContact O-N 3.12Å; W202-I209 HydrophobicContact CB-CD1 3.85Å; W202-I209 HydrophobicContact CE3-CD1 4.3Å; W202-I209 HydrophobicContact CG-CD1 4.42Å
203R85.6Confident91.9Very high75 Ų7555.5 Ų55.528%0.28325%0.252SS..  trans-68.3-33.1-170.6-72-171.768-154.9-7.3114.6P14 T198 R199 R201 R206P14-R203 PolarHBondContact O-NH2 3.1Å; T198-R203 WeakPolarHBondContact O-CA 3.26Å; R199-R203 WeakPolarHBondContact O-CD 3.19Å; R199-R203 WeakPolarHBondContact O-CG 3.46Å; R201-R203 PolarHBondContact O-N 3.02Å; R203-R206 WeakPolarHBondContact O-CB 3.14Å; R203-R206 WeakPolarHBondContact O-CD 3.38Å; R203-R206 VanDerWaalsContact O-CG 3.3Å; R203-R206 WeakPolarHBondContact O-CG 3.42Å; R203-R206 PolarHBondContact O-NH1 2.9Å
204E87.3Confident91.7Very high176 Ų17655 Ų5582%0.82225%0.247SC*.THydrogen-bonded Turntrans-64.4-42-177.5-66.3-178.5166.900111.6W202W202-E204 PolarHBondContact O-N 3.25Å
205H88.8Confident91.5Very high106 Ų10657.8 Ų57.849%0.49126%0.259SS..THydrogen-bonded Turntrans-100.516.2-175.4-58.288.6000112.8Y207 I208 I209H205-Y207 VanDerWaalsContact C-N 3.34Å; H205-Y207 PolarHBondContact O-N 3.45Å; H205-I208 PolarHBondContact O-N 3.43Å; H205-I209 HydrophobicContact CB-CD1 3.78Å; H205-I209 HydrophobicContact CB-CG1 4.11Å; H205-I209 WeakPolarHBondContact O-CG1 3Å; H205-I209 PolarHBondContact O-N 2.77Å
206R90.9Very high91.3Very high30 Ų3061.3 Ų61.311%0.11328%0.278CS..Hα-helixtrans-55.1-42.9-168.667.4-175.8-176.6-115.915.4114E18 W202 R203 R210E18-R206 IonicContact OE2-CZ 3.46Å; E18-R206 IonicContact OE2-NH2 3.41Å; E18-R206 PolarHBondContact OE2-NH2 3.18Å; W202-R206 PolarHBondContact O-N 3.12Å; R203-R206 WeakPolarHBondContact O-CB 3.14Å; R203-R206 WeakPolarHBondContact O-CD 3.38Å; R203-R206 VanDerWaalsContact O-CG 3.3Å; R203-R206 WeakPolarHBondContact O-CG 3.42Å; R203-R206 PolarHBondContact O-NH1 2.9Å; R206-R210 VanDerWaalsContact O-CB 3.26Å; R206-R210 WeakPolarHBondContact O-CB 3.34Å; R206-R210 WeakPolarHBondContact O-CG 3.26Å; R206-R210 PolarHBondContact O-N 3.38Å
207Y90.2Very high91.2Very high27 Ų2761.8 Ų61.811%0.10628%0.281CS..Hα-helixtrans-70.2-40-177.2-57.3-63.2000112.2E18 H205 T211 K269E18-Y207 PolarHBondContact OE2-OH 3.14Å; H205-Y207 VanDerWaalsContact C-N 3.34Å; H205-Y207 PolarHBondContact O-N 3.45Å; Y207-T211 VanDerWaalsContact O-CB 3.3Å; Y207-T211 WeakPolarHBondContact O-CB 3.25Å; Y207-T211 PolarHBondContact O-N 2.5Å; Y207-T211 PolarHBondContact O-OG1 3.4Å; Y207-K269 VanDerWaalsContact CE2-CE 3.46Å
208I91.4Very high91.2Very high82 Ų8263.1 Ų63.142%0.42129%0.286SS..Hα-helixtrans-68.3-52.1179.1-62.5172000109.3H205 R210 T211 L212H205-I208 PolarHBondContact O-N 3.43Å; I208-R210 PolarHBondContact O-N 2.87Å; I208-T211 PolarHBondContact O-N 2.7Å; I208-L212 HydrophobicContact CG2-CD1 3.65Å; I208-L212 HydrophobicContact CG2-CG 4.21Å; I208-L212 WeakPolarHBondContact O-CB 3.39Å; I208-L212 VanDerWaalsContact O-CG 3.31Å; I208-L212 WeakPolarHBondContact O-CG 3.39Å; I208-L212 PolarHBondContact O-N 3.03Å
209I93.1Very high91Very high47 Ų4767.7 Ų67.724%0.24131%0.31CS..Hα-helixtrans-59.1-47-178.9-65.7169.8000110.8T198 W202 H205 L212 V213T198-I209 HydrophobicContact CG2-CB 3.7Å; T198-I209 HydrophobicContact CG2-CD1 4.1Å; T198-I209 HydrophobicContact CG2-CG2 3.48Å; T198-I209 VanDerWaalsContact CG2-CG2 3.48Å; W202-I209 HydrophobicContact CB-CD1 3.85Å; W202-I209 HydrophobicContact CE3-CD1 4.3Å; W202-I209 HydrophobicContact CG-CD1 4.42Å; H205-I209 HydrophobicContact CB-CD1 3.78Å; H205-I209 HydrophobicContact CB-CG1 4.11Å; H205-I209 WeakPolarHBondContact O-CG1 3Å; H205-I209 PolarHBondContact O-N 2.77Å; I209-L212 PolarHBondContact O-N 2.78Å; I209-V213 WeakPolarHBondContact O-CB 3.26Å; I209-V213 PolarHBondContact O-N 3.41Å
210R92.3Very high91Very high33 Ų3369.1 Ų69.113%0.12532%0.318CS..Hα-helixtrans-62.1-46.1178.1-71.1175.4-165.3161.86.7111.5Y119 T198 R206 I208 L212 V213 F214Y119-R210 PolarHBondContact OH-NH1 3.39Å; Y119-R210 PolarHBondContact OH-NH2 3.28Å; T198-R210 HydrophobicContact CG2-CG 4.34Å; T198-R210 PolarHBondContact OG1-NE 3.23Å; T198-R210 PolarHBondContact OG1-NH2 3.36Å; R206-R210 VanDerWaalsContact O-CB 3.26Å; R206-R210 WeakPolarHBondContact O-CB 3.34Å; R206-R210 WeakPolarHBondContact O-CG 3.26Å; R206-R210 PolarHBondContact O-N 3.38Å; I208-R210 PolarHBondContact O-N 2.87Å; R210-L212 PolarHBondContact O-N 3.42Å; R210-V213 WeakPolarHBondContact O-CG1 3.3Å; R210-V213 PolarHBondContact O-N 3.46Å; R210-F214 WeakPolarHBondContact O-CD2 3.46Å; R210-F214 PolarHBondContact O-N 2.93Å
211T91.6Very high91Very high17 Ų1767.8 Ų67.810%0.10431%0.312CS..Hα-helixtrans-64.8-43.1-179.2-52.90000111.8Y207 I208 F214 A263 N266 I267Y207-T211 VanDerWaalsContact O-CB 3.3Å; Y207-T211 WeakPolarHBondContact O-CB 3.25Å; Y207-T211 PolarHBondContact O-N 2.5Å; Y207-T211 PolarHBondContact O-OG1 3.4Å; I208-T211 PolarHBondContact O-N 2.7Å; T211-F214 PolarHBondContact O-N 3.4Å; T211-A263 HydrophobicContact CG2-CB 3.56Å; T211-N266 PolarHBondContact OG1-ND2 3.32Å; T211-I267 HydrophobicContact CG2-CD1 3.7Å; T211-I267 HydrophobicContact CG2-CG1 4.16Å
212L92.4Very high91.2Very high98 Ų9859.6 Ų59.651%0.51328%0.282SS..Hα-helixtrans-67.7-40.1179.8-69.1177.6000112.5I208 I209 R210 F214 L215I208-L212 HydrophobicContact CG2-CD1 3.65Å; I208-L212 HydrophobicContact CG2-CG 4.21Å; I208-L212 WeakPolarHBondContact O-CB 3.39Å; I208-L212 VanDerWaalsContact O-CG 3.31Å; I208-L212 WeakPolarHBondContact O-CG 3.39Å; I208-L212 PolarHBondContact O-N 3.03Å; I209-L212 PolarHBondContact O-N 2.78Å; R210-L212 PolarHBondContact O-N 3.42Å; L212-F214 VanDerWaalsContact C-N 3.26Å; L212-F214 PolarHBondContact O-N 2.9Å; L212-L215 HydrophobicContact CD2-CD1 3.89Å; L212-L215 VanDerWaalsContact O-CB 3.32Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 3.2Å; L212-L215 VanDerWaalsContact O-N 3.13Å
213V93.9Very high91.2Very high13 Ų1355.3 Ų55.38%0.07927%0.269CS..Hα-helixtrans-65.5-32.6179.379.70000111.4I190 I209 R210 L215 L216 P217I190-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CB 3.26Å; I209-V213 PolarHBondContact O-N 3.41Å; R210-V213 WeakPolarHBondContact O-CG1 3.3Å; R210-V213 PolarHBondContact O-N 3.46Å; V213-L215 PolarHBondContact O-N 2.94Å; V213-L216 HydrophobicContact CG2-CD1 4.23Å; V213-L216 WeakPolarHBondContact O-CB 3.37Å; V213-L216 PolarHBondContact O-N 3.43Å; V213-L216 VanDerWaalsContact O-N 3.15Å; V213-P217 WeakPolarHBondContact O-CD 3.18Å
214F93.2Very high91.4Very high56 Ų5651.8 Ų51.825%0.24626%0.256CS..THydrogen-bonded Turntrans-72.8-10.1175.9-76.1-61.6000114.5I122 C191 R210 T211 L212 L216 P217 F218I122-F214 HydrophobicContact CB-CE1 4.35Å; I122-F214 HydrophobicContact CB-CZ 4.34Å; I122-F214 HydrophobicContact CD1-CZ 4.35Å; I122-F214 HydrophobicContact CG2-CD1 4.27Å; I122-F214 HydrophobicContact CG2-CE1 3.43Å; I122-F214 VanDerWaalsContact CG2-CE1 3.43Å; I122-F214 HydrophobicContact CG2-CZ 3.75Å; C191-F214 HydrophobicContact CB-CE1 4.22Å; R210-F214 WeakPolarHBondContact O-CD2 3.46Å; R210-F214 PolarHBondContact O-N 2.93Å; T211-F214 PolarHBondContact O-N 3.4Å; L212-F214 VanDerWaalsContact C-N 3.26Å; L212-F214 PolarHBondContact O-N 2.9Å; F214-L216 VanDerWaalsContact C-N 3.26Å; F214-L216 PolarHBondContact O-N 3.36Å; F214-P217 HydrophobicContact CD1-CG 4.17Å; F214-P217 WeakPolarHBondContact O-CD 3.31Å; F214-F218 PolarHBondContact O-N 2.98Å
215L92.2Very high91.6Very high84 Ų8443.4 Ų43.444%0.4422%0.217SC..Hα-helixtrans-66.9-30167.2-62.6175.4000111.8L212 V213 F218 L219L212-L215 HydrophobicContact CD2-CD1 3.89Å; L212-L215 VanDerWaalsContact O-CB 3.32Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 3.2Å; L212-L215 VanDerWaalsContact O-N 3.13Å; V213-L215 PolarHBondContact O-N 2.94Å; L215-F218 PolarHBondContact O-N 3.41Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.85Å
216L92Very high91.7Very high75 Ų7541.6 Ų41.639%0.39321%0.207SC..Hα-helixtrans-63.9-51.5179.5-59.6171.9000111.7I187 V213 F214 F218 L219 I220I187-L216 HydrophobicContact CG2-CB 3.88Å; V213-L216 HydrophobicContact CG2-CD1 4.23Å; V213-L216 WeakPolarHBondContact O-CB 3.37Å; V213-L216 PolarHBondContact O-N 3.43Å; V213-L216 VanDerWaalsContact O-N 3.15Å; F214-L216 VanDerWaalsContact C-N 3.26Å; F214-L216 PolarHBondContact O-N 3.36Å; L216-F218 VanDerWaalsContact C-N 3.33Å; L216-F218 PolarHBondContact O-N 2.97Å; L216-L219 PolarHBondContact O-N 3.14Å; L216-I220 PolarHBondContact O-N 2.84Å
217P93.6Very high91.4Very high9 Ų942.7 Ų42.76%0.05821%0.212CC..Hα-helixtrans-47-50.2166.3-35.939.1000114.2T126 I187 C191 V213 F214 L219 S221T126-P217 HydrophobicContact CG2-CB 3.65Å; T126-P217 HydrophobicContact CG2-CG 4.19Å; I187-P217 VanDerWaalsContact CG2-CD 3.46Å; I187-P217 HydrophobicContact CG2-CG 3.72Å; C191-P217 VanDerWaalsContact SG-CG 3.52Å; V213-P217 WeakPolarHBondContact O-CD 3.18Å; F214-P217 HydrophobicContact CD1-CG 4.17Å; F214-P217 WeakPolarHBondContact O-CD 3.31Å; P217-L219 PolarHBondContact O-N 2.87Å; P217-S221 WeakPolarHBondContact O-CA 3.45Å; P217-S221 WeakPolarHBondContact O-CB 3.48Å; P217-S221 PolarHBondContact O-N 2.67Å; P217-S221 PolarHBondContact O-OG 3.22Å
218F93.4Very high91.2Very high50 Ų5042 Ų4222%0.21921%0.209CC..Hα-helixtrans-61.5-46.6-176.7174-103.9000111.8F214 L215 L216 S222 F226 L259F214-F218 PolarHBondContact O-N 2.98Å; L215-F218 PolarHBondContact O-N 3.41Å; L216-F218 VanDerWaalsContact C-N 3.33Å; L216-F218 PolarHBondContact O-N 2.97Å; F218-S222 WeakPolarHBondContact O-CB 3.47Å; F218-S222 PolarHBondContact O-N 3.02Å; F218-S222 PolarHBondContact O-OG 3.2Å; F218-F226 HydrophobicContact CE1-CZ 4.01Å; F218-F226 HydrophobicContact CZ-CZ 4.01Å; F218-L259 HydrophobicContact CD2-CD1 3.48Å; F218-L259 VanDerWaalsContact CD2-CD1 3.48Å; F218-L259 HydrophobicContact CE2-CD1 3.89Å; F218-L259 HydrophobicContact CG-CD1 4.36Å
219L91.3Very high91Very high96 Ų9640 Ų4050%0.50320%0.201SC..Hα-helixtrans-68.6-45.6-177.8-68.9171.6000112.4L215 L216 P217 T223L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.85Å; L216-L219 PolarHBondContact O-N 3.14Å; P217-L219 PolarHBondContact O-N 2.87Å; L219-T223 PolarHBondContact O-OG1 3.22Å
220I90Very high90.7Very high51 Ų5144.9 Ų44.926%0.26223%0.227SC..Hα-helixtrans-83.4-46.1-173.5-61.7-62.1000111.3Y180 C183 I187 L216 S222 T223Y180-I220 WeakPolarHBondContact CE2-O 3.42Å; C183-I220 HydrophobicContact CB-CG2 4.25Å; I187-I220 HydrophobicContact CD1-CB 3.49Å; I187-I220 VanDerWaalsContact CD1-CB 3.49Å; I187-I220 HydrophobicContact CD1-CG1 3.44Å; I187-I220 VanDerWaalsContact CD1-CG1 3.44Å; I187-I220 HydrophobicContact CD1-CG2 3.6Å; L216-I220 PolarHBondContact O-N 2.84Å; I220-S222 VanDerWaalsContact C-N 3.32Å; I220-S222 PolarHBondContact O-N 2.96Å; I220-T223 WeakPolarHBondContact O-CB 3.48Å; I220-T223 PolarHBondContact O-N 3.33Å; I220-T223 PolarHBondContact O-OG1 3.45Å
221S89.7Confident90.2Very high5 Ų545.8 Ų45.84%0.03524%0.235CC..Hα-helixtrans-64.2-40.2-179.1-45.90000110.4T126 S130 Y133 Y180 P217 T223 P224T126-S221 WeakPolarHBondContact CG2-OG 3.12Å; S130-S221 WeakPolarHBondContact OG-CB 3.46Å; S130-S221 PolarHBondContact OG-OG 3.18Å; Y133-S221 VanDerWaalsContact CD2-O 3.32Å; Y133-S221 WeakPolarHBondContact CD2-O 3.44Å; Y180-S221 PolarHBondContact OH-O 3.23Å; P217-S221 WeakPolarHBondContact O-CA 3.45Å; P217-S221 WeakPolarHBondContact O-CB 3.48Å; P217-S221 PolarHBondContact O-N 2.67Å; P217-S221 PolarHBondContact O-OG 3.22Å; S221-T223 PolarHBondContact O-N 2.99Å; S221-T223 VanDerWaalsContact O-N 3.16Å; S221-P224 WeakPolarHBondContact O-CD 3.47Å
222S92.2Very high89.6Confident4 Ų455.8 Ų55.83%0.02827%0.271CS..THydrogen-bonded Turntrans-76.93.2-179-45.70000114.7F218 I220 P224 V225 F226F218-S222 WeakPolarHBondContact O-CB 3.47Å; F218-S222 PolarHBondContact O-N 3.02Å; F218-S222 PolarHBondContact O-OG 3.2Å; I220-S222 VanDerWaalsContact C-N 3.32Å; I220-S222 PolarHBondContact O-N 2.96Å; S222-P224 VanDerWaalsContact C-CD 3.43Å; S222-V225 WeakPolarHBondContact O-CA 3.35Å; S222-V225 WeakPolarHBondContact O-CB 3.43Å; S222-V225 PolarHBondContact O-N 3.25Å; S222-F226 VanDerWaalsContact O-CD2 3.29Å; S222-F226 WeakPolarHBondContact O-CD2 3.43Å; S222-F226 PolarHBondContact O-N 2.85Å
223T90.2Very high88.9Confident28 Ų2852.8 Ų52.817%0.17226%0.259CS..Hα-helixtrans-52.4-43.9179.7-48.10000114F175 F176 L219 I220 S221 V225 F226 Y227F175-T223 HydrophobicContact CE1-CG2 4.32Å; F176-T223 HydrophobicContact CE1-CG2 4.37Å; F176-T223 HydrophobicContact CE2-CG2 4.46Å; F176-T223 HydrophobicContact CZ-CG2 3.68Å; L219-T223 PolarHBondContact O-OG1 3.22Å; I220-T223 WeakPolarHBondContact O-CB 3.48Å; I220-T223 PolarHBondContact O-N 3.33Å; I220-T223 PolarHBondContact O-OG1 3.45Å; S221-T223 PolarHBondContact O-N 2.99Å; S221-T223 VanDerWaalsContact O-N 3.16Å; T223-V225 VanDerWaalsContact C-N 3.28Å; T223-V225 PolarHBondContact O-N 3.17Å; T223-F226 PolarHBondContact O-N 3.23Å; T223-Y227 PolarHBondContact O-N 3.05Å
224P90.2Very high88Confident0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-59-39.8174.6-16.225.6000112.4F176 Y180 S221 S222 Y227 R228F176-P224 HydrophobicContact CD1-CG 4.45Å; F176-P224 HydrophobicContact CE1-CB 4.12Å; F176-P224 HydrophobicContact CE1-CG 3.68Å; Y180-P224 HydrophobicContact CE1-CG 4.36Å; Y180-P224 HydrophobicContact CE2-CG 3.87Å; Y180-P224 WeakPolarHBondContact OH-CG 3.14Å; S221-P224 WeakPolarHBondContact O-CD 3.47Å; S222-P224 VanDerWaalsContact C-CD 3.43Å; P224-Y227 PolarHBondContact O-N 3.34Å; P224-R228 WeakPolarHBondContact O-CB 3.21Å; P224-R228 PolarHBondContact O-N 2.85Å
225V91.4Very high87.5Confident0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-69.3-46.8-179.6-168.40000110.5Y133 I137 S222 T223 Y227 R228 V229 M248 F252 M303Y133-V225 HydrophobicContact CD1-CG2 4.26Å; Y133-V225 HydrophobicContact CD2-CG2 4.01Å; Y133-V225 HydrophobicContact CE1-CG2 4.31Å; Y133-V225 HydrophobicContact CE2-CG2 4.03Å; Y133-V225 HydrophobicContact CG-CG2 4.09Å; I137-V225 HydrophobicContact CD1-CG2 4Å; I137-V225 HydrophobicContact CG2-CG2 4.15Å; S222-V225 WeakPolarHBondContact O-CA 3.35Å; S222-V225 WeakPolarHBondContact O-CB 3.43Å; S222-V225 PolarHBondContact O-N 3.25Å; T223-V225 VanDerWaalsContact C-N 3.28Å; T223-V225 PolarHBondContact O-N 3.17Å; V225-Y227 VanDerWaalsContact C-N 3.29Å; V225-Y227 PolarHBondContact O-N 3.34Å; V225-R228 WeakPolarHBondContact O-CB 3.29Å; V225-R228 PolarHBondContact O-N 2.92Å; V225-V229 HydrophobicContact CG1-CG2 4.4Å; V225-V229 WeakPolarHBondContact O-CG2 3.36Å; V225-V229 PolarHBondContact O-N 3.17Å; V225-M248 HydrophobicContact CG1-CE 3.87Å; V225-M248 HydrophobicContact CG1-SD 4.49Å; V225-F252 HydrophobicContact CB-CD2 4.26Å; V225-F252 HydrophobicContact CB-CE2 4.11Å; V225-F252 HydrophobicContact CB-CZ 4.42Å; V225-F252 HydrophobicContact CG1-CB 4.14Å; V225-F252 HydrophobicContact CG1-CD1 4.01Å; V225-F252 HydrophobicContact CG1-CD2 3.49Å; V225-F252 VanDerWaalsContact CG1-CD2 3.49Å; V225-F252 HydrophobicContact CG1-CE1 4.28Å; V225-F252 HydrophobicContact CG1-CE2 3.8Å; V225-F252 HydrophobicContact CG1-CG 3.59Å; V225-F252 HydrophobicContact CG1-CZ 4.18Å; V225-M303 HydrophobicContact CG1-SD 3.77Å; V225-M303 HydrophobicContact CG2-CE 4.07Å; V225-M303 HydrophobicContact CG2-SD 4.32Å
226F90.2Very high87Confident68 Ų6851.8 Ų51.830%0.29826%0.263SS..Hα-helixtrans-56.6-45.4175.6-73.6-55.4000111.4F218 S222 T223 R228 V229 L230 F252F218-F226 HydrophobicContact CE1-CZ 4.01Å; F218-F226 HydrophobicContact CZ-CZ 4.01Å; S222-F226 VanDerWaalsContact O-CD2 3.29Å; S222-F226 WeakPolarHBondContact O-CD2 3.43Å; S222-F226 PolarHBondContact O-N 2.85Å; T223-F226 PolarHBondContact O-N 3.23Å; F226-R228 VanDerWaalsContact C-N 3.35Å; F226-R228 PolarHBondContact O-N 3.4Å; F226-V229 PolarHBondContact O-N 2.87Å; F226-L230 WeakPolarHBondContact O-CB 3.32Å; F226-L230 WeakPolarHBondContact O-CG 3.18Å; F226-L230 PolarHBondContact O-N 3.21Å; F226-F252 AromaticContact CD1-CE1 3.81Å; F226-F252 HydrophobicContact CD1-CE1 3.81Å; F226-F252 AromaticContact CD1-CZ 3.94Å; F226-F252 HydrophobicContact CD1-CZ 3.94Å; F226-F252 AromaticContact CE1-CE1 3.55Å; F226-F252 HydrophobicContact CE1-CE1 3.55Å; F226-F252 AromaticContact CE1-CZ 3.51Å; F226-F252 HydrophobicContact CE1-CZ 3.51Å; F226-F252 HydrophobicContact CE2-CZ 4.41Å; F226-F252 HydrophobicContact CZ-CE1 4.28Å; F226-F252 AromaticContact CZ-CZ 3.77Å; F226-F252 HydrophobicContact CZ-CZ 3.77Å
227Y85.9Confident86.6Confident54 Ų5452.7 Ų52.721%0.21227%0.271CS..Hα-helixtrans-61.4-44.7175.3-175.8-82.7000111.8P139 F172 T223 P224 V225 V229 L230 T231P139-Y227 HydrophobicContact CB-CD1 3.88Å; P139-Y227 HydrophobicContact CB-CE1 3.44Å; P139-Y227 VanDerWaalsContact CB-CE1 3.44Å; P139-Y227 HydrophobicContact CG-CD1 3.05Å; P139-Y227 HydrophobicContact CG-CE1 3.1Å; P139-Y227 HydrophobicContact CG-CG 3.93Å; F172-Y227 AromaticContact CD1-CD2 3.96Å; F172-Y227 HydrophobicContact CD1-CD2 3.96Å; F172-Y227 AromaticContact CD1-CE2 3.73Å; F172-Y227 HydrophobicContact CD1-CE2 3.73Å; F172-Y227 AromaticContact CE1-CD2 2.96Å; F172-Y227 HydrophobicContact CE1-CD2 2.96Å; F172-Y227 AromaticContact CE1-CE2 3.19Å; F172-Y227 HydrophobicContact CE1-CE2 3.19Å; F172-Y227 AromaticContact CE1-CG 3.67Å; F172-Y227 HydrophobicContact CE1-CG 3.67Å; F172-Y227 HydrophobicContact CE2-CD2 4.4Å; F172-Y227 AromaticContact CZ-CD2 3.23Å; F172-Y227 HydrophobicContact CZ-CD2 3.23Å; F172-Y227 AromaticContact CZ-CE2 3.89Å; F172-Y227 HydrophobicContact CZ-CE2 3.89Å; F172-Y227 AromaticContact CZ-CG 3.92Å; F172-Y227 HydrophobicContact CZ-CG 3.92Å; T223-Y227 PolarHBondContact O-N 3.05Å; P224-Y227 PolarHBondContact O-N 3.34Å; V225-Y227 VanDerWaalsContact C-N 3.29Å; V225-Y227 PolarHBondContact O-N 3.34Å; Y227-V229 VanDerWaalsContact C-N 3.31Å; Y227-V229 PolarHBondContact O-N 3.06Å; Y227-L230 PolarHBondContact O-N 3.42Å; Y227-T231 HydrophobicContact CD1-CG2 3.81Å; Y227-T231 WeakPolarHBondContact CD1-OG1 3.4Å; Y227-T231 HydrophobicContact CD2-CG2 4.21Å; Y227-T231 HydrophobicContact CE1-CG2 3.44Å; Y227-T231 VanDerWaalsContact CE1-CG2 3.44Å; Y227-T231 WeakPolarHBondContact CE1-OG1 3.29Å; Y227-T231 HydrophobicContact CE2-CG2 3.92Å; Y227-T231 HydrophobicContact CG-CG2 4.26Å; Y227-T231 WeakPolarHBondContact O-CB 3.44Å; Y227-T231 WeakPolarHBondContact O-CG2 3.43Å; Y227-T231 PolarHBondContact O-N 3.07Å; Y227-T231 PolarHBondContact O-OG1 3.47Å
228R85.9Confident86.1Confident13 Ų1358.1 Ų58.15%0.04931%0.305CS..Hα-helixtrans-61.6-37.5179.7-174.458.3162.4-128.6-1.5112.7I137 P224 V225 F226 P234 M248 E307I137-R228 HydrophobicContact CG2-CB 3.99Å; I137-R228 HydrophobicContact CG2-CG 4.1Å; P224-R228 WeakPolarHBondContact O-CB 3.21Å; P224-R228 PolarHBondContact O-N 2.85Å; V225-R228 WeakPolarHBondContact O-CB 3.29Å; V225-R228 PolarHBondContact O-N 2.92Å; F226-R228 VanDerWaalsContact C-N 3.35Å; F226-R228 PolarHBondContact O-N 3.4Å; R228-P234 VanDerWaalsContact CZ-CG 3.41Å; R228-M248 HydrophobicContact CG-SD 3.86Å; R228-E307 IonicContact CZ-OE2 3.78Å; R228-E307 IonicContact NE-OE2 3.03Å; R228-E307 IonicContact NH2-OE2 3.35Å; R228-E307 PolarHBondContact NH2-OE2 3.43Å
229V87.3Confident85.8Confident40 Ų4057.5 Ų57.524%0.24231%0.305CS..Hα-helixtrans-70.8-36.7175.6173.40000111.9V225 F226 Y227 M248 P249 F252 Y253V225-V229 HydrophobicContact CG1-CG2 4.4Å; V225-V229 WeakPolarHBondContact O-CG2 3.36Å; V225-V229 PolarHBondContact O-N 3.17Å; F226-V229 PolarHBondContact O-N 2.87Å; Y227-V229 VanDerWaalsContact C-N 3.31Å; Y227-V229 PolarHBondContact O-N 3.06Å; V229-M248 HydrophobicContact CG2-CE 3.54Å; V229-P249 HydrophobicContact CG2-CB 4.38Å; V229-F252 HydrophobicContact CG2-CD1 4.3Å; V229-Y253 WeakPolarHBondContact CG1-OH 3.29Å
230L86.1Confident85.5Confident149 Ų14956.4 Ų56.478%0.7830%0.304SS*.Hα-helixtrans-81.6-16.9-177.7-67.8172.5000113.6F226 Y227F226-L230 WeakPolarHBondContact O-CB 3.32Å; F226-L230 WeakPolarHBondContact O-CG 3.18Å; F226-L230 PolarHBondContact O-N 3.21Å; Y227-L230 PolarHBondContact O-N 3.42Å
231T81.9Confident85.4Confident51 Ų5154 Ų5431%0.31329%0.292SS..SBendtrans-105.2159.3-179.9550000112Y227Y227-T231 HydrophobicContact CD1-CG2 3.81Å; Y227-T231 WeakPolarHBondContact CD1-OG1 3.4Å; Y227-T231 HydrophobicContact CD2-CG2 4.21Å; Y227-T231 HydrophobicContact CE1-CG2 3.44Å; Y227-T231 VanDerWaalsContact CE1-CG2 3.44Å; Y227-T231 WeakPolarHBondContact CE1-OG1 3.29Å; Y227-T231 HydrophobicContact CE2-CG2 3.92Å; Y227-T231 HydrophobicContact CG-CG2 4.26Å; Y227-T231 WeakPolarHBondContact O-CB 3.44Å; Y227-T231 WeakPolarHBondContact O-CG2 3.43Å; Y227-T231 PolarHBondContact O-N 3.07Å; Y227-T231 PolarHBondContact O-OG1 3.47Å
232R78.1Confident85.3Confident227 Ų22756 Ų5686%0.85730%0.299SS*.  trans-66138.3176.9-172.3175.7-179.8149.10.8109.3
233S78.9Confident85.1Confident35 Ų3558.9 Ų58.925%0.24532%0.324CS..  trans-51.2134.3174-177.30000110.3Y235S233-Y235 PolarHBondContact O-N 2.93Å; S233-Y235 PolarHBondContact OG-N 3.38Å
234P74.6Confident85.1Confident49 Ų4958.4 Ų58.432%0.31832%0.323SS..SBendtrans-73.1-1717832.3-37.3000112.5I143 R228I143-P234 HydrophobicContact CD1-CB 3.39Å; I143-P234 HydrophobicContact CD1-CG 4.33Å; I143-P234 HydrophobicContact CG1-CB 4.02Å; R228-P234 VanDerWaalsContact CZ-CG 3.41Å
235Y81.9Confident85Confident16 Ų1658.8 Ų58.86%0.06333%0.325CS..SBendtrans-85.5138.9-179.7-54.1-63.5000110.6S233 S241 A310 I311S233-Y235 PolarHBondContact O-N 2.93Å; S233-Y235 PolarHBondContact OG-N 3.38Å; Y235-S241 VanDerWaalsContact CD1-CB 3.46Å; Y235-A310 HydrophobicContact CD2-CB 4.3Å; Y235-A310 HydrophobicContact CE2-CB 3.56Å; Y235-I311 WeakPolarHBondContact OH-CG1 3.47Å
236S81.5Confident84.9Confident67 Ų6763.5 Ų63.547%0.46935%0.349SS..  trans-66.2139.8172.7177.80000110.3T238 T239 F242S236-T238 PolarHBondContact O-N 3.26Å; S236-T238 PolarHBondContact OG-OG1 2.93Å; S236-T239 WeakPolarHBondContact O-CB 3.38Å; S236-T239 PolarHBondContact O-N 2.91Å; S236-T239 PolarHBondContact O-OG1 2.75Å; S236-F242 WeakPolarHBondContact O-CB 3.3Å
237T84Confident85Confident94 Ų9462.8 Ų62.858%0.57735%0.351SS*.THydrogen-bonded Turntrans-60.1-17.3-174.853.10000114.4F242T237-F242 HydrophobicContact CG2-CD2 4.49Å; T237-F242 HydrophobicContact CG2-CE1 4.09Å; T237-F242 HydrophobicContact CG2-CE2 4.09Å; T237-F242 HydrophobicContact CG2-CZ 3.89Å
238T84.2Confident85.4Confident124 Ų12460.4 Ų60.476%0.76134%0.342SS*.THydrogen-bonded Turntrans-90.5-4.3179.155.40000113.6S236S236-T238 PolarHBondContact O-N 3.26Å; S236-T238 PolarHBondContact OG-OG1 2.93Å
239T85.6Confident85.7Confident36 Ų3661.6 Ų61.622%0.22135%0.351CS..SBendtrans-93.8150-173.962.10000112.7S236 S241 F242 A243S236-T239 WeakPolarHBondContact O-CB 3.38Å; S236-T239 PolarHBondContact O-N 2.91Å; S236-T239 PolarHBondContact O-OG1 2.75Å; T239-S241 PolarHBondContact O-N 2.98Å; T239-F242 PolarHBondContact O-N 3.42Å; T239-F242 VanDerWaalsContact O-N 3.14Å; T239-F242 PolarHBondContact OG1-N 3.3Å; T239-A243 PolarHBondContact O-N 3.42Å
240P86.1Confident86.1Confident74 Ų7464.1 Ų64.148%0.48136%0.363SS..Hα-helixtrans-61.6-29.8172.826.5-34.9000112.3F242 A243 A244 L313P240-F242 VanDerWaalsContact C-N 3.34Å; P240-F242 PolarHBondContact O-N 2.94Å; P240-A243 PolarHBondContact O-N 2.75Å; P240-A244 PolarHBondContact O-N 2.89Å; P240-A244 VanDerWaalsContact O-N 3.13Å; P240-L313 HydrophobicContact CB-CD1 4.32Å; P240-L313 HydrophobicContact CG-CB 4.41Å
241S87.3Confident86.6Confident1 Ų158.9 Ų58.91%0.00733%0.334CS..Hα-helixtrans-59.1-41.9172.7-57.50000112.9Y235 T239 A244 S245 A310 L313 N314Y235-S241 VanDerWaalsContact CD1-CB 3.46Å; T239-S241 PolarHBondContact O-N 2.98Å; S241-A244 PolarHBondContact O-N 3.4Å; S241-S245 WeakPolarHBondContact O-CB 3.48Å; S241-S245 PolarHBondContact O-N 2.83Å; S241-A310 WeakPolarHBondContact CB-O 3.11Å; S241-A310 VanDerWaalsContact O-CB 3.28Å; S241-A310 WeakPolarHBondContact O-CB 3.4Å; S241-A310 PolarHBondContact OG-O 3.13Å; S241-L313 VanDerWaalsContact OG-C 3.3Å; S241-L313 PolarHBondContact OG-O 3.16Å; S241-N314 WeakPolarHBondContact OG-CA 3.29Å; S241-N314 PolarHBondContact OG-N 3.21Å
242F87.8Confident87.3Confident45 Ų4556.7 Ų56.720%0.19732%0.32CS..Hα-helixtrans-65.1-41.6176.4179.5-97.7000111.9S236 T237 T239 P240 A244 S245 I246S236-F242 WeakPolarHBondContact O-CB 3.3Å; T237-F242 HydrophobicContact CG2-CD2 4.49Å; T237-F242 HydrophobicContact CG2-CE1 4.09Å; T237-F242 HydrophobicContact CG2-CE2 4.09Å; T237-F242 HydrophobicContact CG2-CZ 3.89Å; T239-F242 PolarHBondContact O-N 3.42Å; T239-F242 VanDerWaalsContact O-N 3.14Å; T239-F242 PolarHBondContact OG1-N 3.3Å; P240-F242 VanDerWaalsContact C-N 3.34Å; P240-F242 PolarHBondContact O-N 2.94Å; F242-A244 VanDerWaalsContact C-N 3.29Å; F242-A244 PolarHBondContact O-N 2.8Å; F242-S245 PolarHBondContact O-N 3.25Å; F242-I246 HydrophobicContact CE1-CD1 3.88Å; F242-I246 HydrophobicContact CZ-CD1 3.99Å; F242-I246 HydrophobicContact CZ-CG1 4.4Å; F242-I246 WeakPolarHBondContact O-CB 3.34Å; F242-I246 PolarHBondContact O-N 3.48Å
243A88.9Confident88.1Confident65 Ų6552.1 Ų52.154%0.53730%0.304SS..Hα-helixtrans-62.5-34.3178.300000112.8T239 P240 I246T239-A243 PolarHBondContact O-N 3.42Å; P240-A243 PolarHBondContact O-N 2.75Å; A243-I246 WeakPolarHBondContact O-CG2 3.49Å
244A88.4Confident89Confident19 Ų1955.3 Ų55.316%0.15731%0.311CS..Hα-helixtrans-70.1-50.3171.500000111.6P240 S241 F242 I246 T247 R309 A310 L313P240-A244 PolarHBondContact O-N 2.89Å; P240-A244 VanDerWaalsContact O-N 3.13Å; S241-A244 PolarHBondContact O-N 3.4Å; F242-A244 VanDerWaalsContact C-N 3.29Å; F242-A244 PolarHBondContact O-N 2.8Å; A244-I246 PolarHBondContact O-N 3.15Å; A244-T247 PolarHBondContact O-N 2.86Å; A244-T247 PolarHBondContact O-OG1 3.44Å; A244-R309 HydrophobicContact CB-CB 4.07Å; A244-A310 HydrophobicContact CB-CB 4.12Å; A244-L313 HydrophobicContact CB-CD1 4.42Å
245S88.8Confident90.1Very high7 Ų753.3 Ų53.35%0.04930%0.297CS..Hα-helixtrans-65.6-30.4-174.8-1790000114.2S241 F242 T247 M248 E307S241-S245 WeakPolarHBondContact O-CB 3.48Å; S241-S245 PolarHBondContact O-N 2.83Å; F242-S245 PolarHBondContact O-N 3.25Å; S245-T247 PolarHBondContact O-N 3.48Å; S245-M248 WeakPolarHBondContact O-CB 3.44Å; S245-M248 PolarHBondContact O-N 3.48Å; S245-E307 WeakPolarHBondContact CA-OE1 3.48Å; S245-E307 WeakPolarHBondContact CB-OE1 3.34Å; S245-E307 PolarHBondContact OG-OE1 3.27Å
246I90.6Very high90.8Very high99 Ų9953.9 Ų53.951%0.50830%0.304SS..THydrogen-bonded Turntrans-60.5-21.2-177.9-159.3173.9000113.5F242 A243 A244 P249F242-I246 HydrophobicContact CE1-CD1 3.88Å; F242-I246 HydrophobicContact CZ-CD1 3.99Å; F242-I246 HydrophobicContact CZ-CG1 4.4Å; F242-I246 WeakPolarHBondContact O-CB 3.34Å; F242-I246 PolarHBondContact O-N 3.48Å; A243-I246 WeakPolarHBondContact O-CG2 3.49Å; A244-I246 PolarHBondContact O-N 3.15Å; I246-P249 WeakPolarHBondContact O-CD 3.45Å
247T92.1Very high91.6Very high54 Ų5455.2 Ų55.233%0.33131%0.305SS..THydrogen-bonded Turntrans-79.5-20.5178.264.10000113A244 S245 N250 F251A244-T247 PolarHBondContact O-N 2.86Å; A244-T247 PolarHBondContact O-OG1 3.44Å; S245-T247 PolarHBondContact O-N 3.48Å; T247-N250 PolarHBondContact O-N 3.24Å; T247-F251 WeakPolarHBondContact O-CD2 3.39Å; T247-F251 PolarHBondContact O-N 2.97Å
248M92.9Very high92.3Very high3 Ų354.3 Ų54.32%0.01529%0.291CS..Hα-helixtrans-54.6-46.8-174.7-174.3-126.380.300113.6I137 V225 R228 V229 S245 N250 F251 F252 M303 E307I137-M248 HydrophobicContact CG2-SD 4.15Å; V225-M248 HydrophobicContact CG1-CE 3.87Å; V225-M248 HydrophobicContact CG1-SD 4.49Å; R228-M248 HydrophobicContact CG-SD 3.86Å; V229-M248 HydrophobicContact CG2-CE 3.54Å; S245-M248 WeakPolarHBondContact O-CB 3.44Å; S245-M248 PolarHBondContact O-N 3.48Å; M248-N250 VanDerWaalsContact C-N 3.31Å; M248-N250 PolarHBondContact O-N 3.23Å; M248-F251 PolarHBondContact O-N 3.32Å; M248-F252 PolarHBondContact O-N 3.17Å; M248-M303 HydrophobicContact CB-CG 4.44Å; M248-M303 HydrophobicContact CG-CG 3.39Å; M248-M303 HydrophobicContact CG-SD 4.3Å; M248-M303 HydrophobicContact SD-CG 4.47Å; M248-E307 HydrophobicContact CB-CG 4.4Å; M248-E307 HydrophobicContact CG-CG 3.91Å; M248-E307 HydrophobicContact SD-CG 4.19Å
249P92.9Very high92.9Very high38 Ų3851.1 Ų51.125%0.24727%0.269CS..Hα-helixtrans-63.8-35.2-178.7-22.434.3000113.1V229 I246 F252 Y253V229-P249 HydrophobicContact CG2-CB 4.38Å; I246-P249 WeakPolarHBondContact O-CD 3.45Å; P249-F252 PolarHBondContact O-N 3.08Å; P249-Y253 HydrophobicContact CB-CE2 4.18Å; P249-Y253 WeakPolarHBondContact O-CD2 3.47Å; P249-Y253 PolarHBondContact O-N 2.97Å
250N95.3Very high93.4Very high94 Ų9454.4 Ų54.450%0.50329%0.285SS..Hα-helixtrans-65.4-41.9178.5-70.6-34.3000111.4T247 M248 F252 R254T247-N250 PolarHBondContact O-N 3.24Å; M248-N250 VanDerWaalsContact C-N 3.31Å; M248-N250 PolarHBondContact O-N 3.23Å; N250-F252 VanDerWaalsContact C-N 3.34Å; N250-R254 WeakPolarHBondContact O-CG 3.3Å; N250-R254 PolarHBondContact O-N 3Å
251F96.9Very high94Very high39 Ų3952.7 Ų52.717%0.17127%0.273CS..Hα-helixtrans-60.2-45.5172.5-70.9-67.3000110.9T247 M248 Y253 R254 H255 D299 H302 M303T247-F251 WeakPolarHBondContact O-CD2 3.39Å; T247-F251 PolarHBondContact O-N 2.97Å; M248-F251 PolarHBondContact O-N 3.32Å; F251-Y253 PolarHBondContact O-N 3.48Å; F251-R254 PolarHBondContact O-N 2.88Å; F251-H255 VanDerWaalsContact O-CB 3.31Å; F251-H255 WeakPolarHBondContact O-CB 3.46Å; F251-H255 PolarHBondContact O-N 3Å; F251-D299 WeakPolarHBondContact CD1-OD1 3.36Å; F251-H302 HydrophobicContact CD1-CB 3.46Å; F251-H302 VanDerWaalsContact CD1-CB 3.46Å; F251-H302 HydrophobicContact CD2-CB 4.33Å; F251-H302 HydrophobicContact CE1-CB 3.31Å; F251-H302 AromaticContact CE1-CG 3.85Å; F251-H302 HydrophobicContact CE2-CB 4.17Å; F251-H302 HydrophobicContact CG-CB 4.04Å; F251-H302 HydrophobicContact CZ-CB 3.7Å; F251-M303 HydrophobicContact CB-CB 3.76Å; F251-M303 HydrophobicContact CB-CG 4.3Å
252F96Very high94.4Very high4 Ų452.8 Ų52.82%0.01827%0.273CS..Hα-helixtrans-63.2-40.3179.5-175.9-115000113.9V225 F226 V229 M248 P249 N250 H255 S256 M303V225-F252 HydrophobicContact CB-CD2 4.26Å; V225-F252 HydrophobicContact CB-CE2 4.11Å; V225-F252 HydrophobicContact CB-CZ 4.42Å; V225-F252 HydrophobicContact CG1-CB 4.14Å; V225-F252 HydrophobicContact CG1-CD1 4.01Å; V225-F252 HydrophobicContact CG1-CD2 3.49Å; V225-F252 VanDerWaalsContact CG1-CD2 3.49Å; V225-F252 HydrophobicContact CG1-CE1 4.28Å; V225-F252 HydrophobicContact CG1-CE2 3.8Å; V225-F252 HydrophobicContact CG1-CG 3.59Å; V225-F252 HydrophobicContact CG1-CZ 4.18Å; F226-F252 AromaticContact CD1-CE1 3.81Å; F226-F252 HydrophobicContact CD1-CE1 3.81Å; F226-F252 AromaticContact CD1-CZ 3.94Å; F226-F252 HydrophobicContact CD1-CZ 3.94Å; F226-F252 AromaticContact CE1-CE1 3.55Å; F226-F252 HydrophobicContact CE1-CE1 3.55Å; F226-F252 AromaticContact CE1-CZ 3.51Å; F226-F252 HydrophobicContact CE1-CZ 3.51Å; F226-F252 HydrophobicContact CE2-CZ 4.41Å; F226-F252 HydrophobicContact CZ-CE1 4.28Å; F226-F252 AromaticContact CZ-CZ 3.77Å; F226-F252 HydrophobicContact CZ-CZ 3.77Å; V229-F252 HydrophobicContact CG2-CD1 4.3Å; M248-F252 PolarHBondContact O-N 3.17Å; P249-F252 PolarHBondContact O-N 3.08Å; N250-F252 VanDerWaalsContact C-N 3.34Å; F252-H255 WeakPolarHBondContact O-CB 3.5Å; F252-H255 PolarHBondContact O-N 2.81Å; F252-S256 WeakPolarHBondContact O-CB 3.45Å; F252-S256 PolarHBondContact O-N 3.42Å; F252-S256 PolarHBondContact O-OG 3.12Å; F252-M303 HydrophobicContact CB-SD 3.76Å; F252-M303 HydrophobicContact CD2-SD 3.9Å; F252-M303 HydrophobicContact CG-SD 4.24Å
253Y96.3Very high94.8Very high131 Ų13151.7 Ų51.751%0.51427%0.273SS..Hα-helixtrans-66.6-40.6177.3-66.1-41.3000112.3V229 P249 F251 S256 L257V229-Y253 WeakPolarHBondContact CG1-OH 3.29Å; P249-Y253 HydrophobicContact CB-CE2 4.18Å; P249-Y253 WeakPolarHBondContact O-CD2 3.47Å; P249-Y253 PolarHBondContact O-N 2.97Å; F251-Y253 PolarHBondContact O-N 3.48Å; Y253-S256 PolarHBondContact O-N 3.33Å; Y253-L257 WeakPolarHBondContact O-CB 3.45Å; Y253-L257 PolarHBondContact O-N 3.09Å
254R97.7Very high95.2Very high102 Ų10253.7 Ų53.739%0.38527%0.274SS..Hα-helixtrans-67.2-42.9174.1-66.6-168.2-54.6-1050.6111.7N250 F251 S256 L257 W258 D299N250-R254 WeakPolarHBondContact O-CG 3.3Å; N250-R254 PolarHBondContact O-N 3Å; F251-R254 PolarHBondContact O-N 2.88Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 3.06Å; R254-L257 WeakPolarHBondContact O-CB 3.47Å; R254-L257 PolarHBondContact O-N 3.05Å; R254-W258 PolarHBondContact O-N 2.58Å; R254-D299 WeakPolarHBondContact CB-OD2 3.34Å; R254-D299 IonicContact CZ-OD1 3.54Å; R254-D299 IonicContact NE-OD1 3.41Å; R254-D299 PolarHBondContact NE-OD1 3.16Å; R254-D299 IonicContact NE-OD2 3.23Å; R254-D299 IonicContact NH2-OD1 2.72Å; R254-D299 PolarHBondContact NH2-OD1 3.06Å
255H97.4Very high95.6Very high7 Ų754.7 Ų54.73%0.03228%0.275CS..Hα-helixtrans-51.4-49171.9168.582000111.5F251 F252 W258 L259 S296 D299F251-H255 VanDerWaalsContact O-CB 3.31Å; F251-H255 WeakPolarHBondContact O-CB 3.46Å; F251-H255 PolarHBondContact O-N 3Å; F252-H255 WeakPolarHBondContact O-CB 3.5Å; F252-H255 PolarHBondContact O-N 2.81Å; H255-W258 PolarHBondContact O-N 2.99Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.45Å; H255-L259 WeakPolarHBondContact O-CG 3.49Å; H255-L259 PolarHBondContact O-N 2.82Å; H255-S296 PolarHBondContact CE1-OG 3.08Å; H255-S296 PolarHBondContact ND1-O 3.43Å; H255-S296 PolarHBondContact ND1-OG 3.27Å; H255-S296 PolarHBondContact O-OG 3.33Å; H255-D299 HydrophobicContact CB-CB 4.06Å
256S97.1Very high95.8Very high29 Ų2955 Ų5520%0.20328%0.276CS..Hα-helixtrans-64.7-42.1178.6-58.50000112.7F252 Y253 R254 L259 L260F252-S256 WeakPolarHBondContact O-CB 3.45Å; F252-S256 PolarHBondContact O-N 3.42Å; F252-S256 PolarHBondContact O-OG 3.12Å; Y253-S256 PolarHBondContact O-N 3.33Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 3.06Å; S256-L259 PolarHBondContact O-N 3.41Å; S256-L260 PolarHBondContact O-N 3.01Å
257L97.8Very high96Very high94 Ų9454 Ų5449%0.49227%0.271SS..Hα-helixtrans-60.6-46.6175.5175.964.6000111.1Y253 R254 L259 L260 V261Y253-L257 WeakPolarHBondContact O-CB 3.45Å; Y253-L257 PolarHBondContact O-N 3.09Å; R254-L257 WeakPolarHBondContact O-CB 3.47Å; R254-L257 PolarHBondContact O-N 3.05Å; L257-L259 PolarHBondContact O-N 3.08Å; L257-L260 WeakPolarHBondContact O-CB 3.18Å; L257-L260 PolarHBondContact O-N 3.3Å; L257-V261 HydrophobicContact CD1-CG2 4.2Å; L257-V261 HydrophobicContact CG-CG2 4.45Å; L257-V261 VanDerWaalsContact O-CG2 3.32Å; L257-V261 WeakPolarHBondContact O-CG2 3.4Å; L257-V261 PolarHBondContact O-N 3.28Å
258W98.2Very high96.1Very high76 Ų7653.4 Ų53.429%0.28827%0.269SS..Hα-helixtrans-64.6-38.1179.8-69.1130000112.6R254 H255 V261 S262 L295 D299R254-W258 PolarHBondContact O-N 2.58Å; H255-W258 PolarHBondContact O-N 2.99Å; W258-V261 PolarHBondContact O-N 3.49Å; W258-S262 WeakPolarHBondContact O-CB 3.41Å; W258-S262 PolarHBondContact O-N 3.37Å; W258-L295 HydrophobicContact CD2-CB 3.98Å; W258-L295 HydrophobicContact CD2-CD1 4.15Å; W258-L295 HydrophobicContact CE3-CD1 4.13Å; W258-L295 HydrophobicContact CG-CB 3.96Å; W258-L295 HydrophobicContact CH2-CD1 3.89Å; W258-L295 HydrophobicContact CZ2-CD1 3.89Å; W258-L295 HydrophobicContact CZ3-CD1 4.01Å; W258-D299 VanDerWaalsContact CD1-OD2 3.26Å; W258-D299 PolarHBondContact NE1-OD2 3.47Å
259L96.6Very high96.2Very high57 Ų5753.7 Ų53.730%0.29827%0.27SS..Hα-helixtrans-62.2-42.8172.1-71.8179.5000112.1F218 H255 S256 L257 S262 A263 S296F218-L259 HydrophobicContact CD2-CD1 3.48Å; F218-L259 VanDerWaalsContact CD2-CD1 3.48Å; F218-L259 HydrophobicContact CE2-CD1 3.89Å; F218-L259 HydrophobicContact CG-CD1 4.36Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.45Å; H255-L259 WeakPolarHBondContact O-CG 3.49Å; H255-L259 PolarHBondContact O-N 2.82Å; S256-L259 PolarHBondContact O-N 3.41Å; L257-L259 PolarHBondContact O-N 3.08Å; L259-S262 WeakPolarHBondContact O-CB 3.38Å; L259-S262 PolarHBondContact O-N 3.37Å; L259-A263 WeakPolarHBondContact O-CB 3.35Å; L259-A263 PolarHBondContact O-N 3.14Å; L259-S296 WeakPolarHBondContact CD2-OG 3.46Å; L259-S296 VanDerWaalsContact CG-OG 3.26Å; L259-S296 WeakPolarHBondContact CG-OG 3.49Å
260L96.9Very high96.3Very high104 Ų10456.7 Ų56.755%0.54528%0.279SS..Hα-helixtrans-62.6-48176.8178.363000111.3S256 L257 S262 A263 L264S256-L260 PolarHBondContact O-N 3.01Å; L257-L260 WeakPolarHBondContact O-CB 3.18Å; L257-L260 PolarHBondContact O-N 3.3Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.39Å; L260-A263 WeakPolarHBondContact O-CB 3.24Å; L260-A263 PolarHBondContact O-N 2.87Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.42Å
261V97.7Very high96.4Very high38 Ų3853 Ų5323%0.2326%0.26CS..Hα-helixtrans-61.5-42.2177.9174.20000110.8L257 W258 A263 L264 F265L257-V261 HydrophobicContact CD1-CG2 4.2Å; L257-V261 HydrophobicContact CG-CG2 4.45Å; L257-V261 VanDerWaalsContact O-CG2 3.32Å; L257-V261 WeakPolarHBondContact O-CG2 3.4Å; L257-V261 PolarHBondContact O-N 3.28Å; W258-V261 PolarHBondContact O-N 3.49Å; V261-A263 PolarHBondContact O-N 3.18Å; V261-L264 WeakPolarHBondContact O-CB 3.47Å; V261-L264 PolarHBondContact O-N 3.39Å; V261-F265 HydrophobicContact CG1-CD2 3.83Å; V261-F265 HydrophobicContact CG1-CE2 3.62Å; V261-F265 VanDerWaalsContact O-CD2 3.3Å; V261-F265 WeakPolarHBondContact O-CD2 3.47Å; V261-F265 PolarHBondContact O-N 3.16Å
262S96.9Very high96.4Very high3 Ų351.4 Ų51.42%0.02125%0.254CS..Hα-helixtrans-58.6-47.3175.2-176.50000112W258 L259 L260 L264 F265 N266 F289 T293W258-S262 WeakPolarHBondContact O-CB 3.41Å; W258-S262 PolarHBondContact O-N 3.37Å; L259-S262 WeakPolarHBondContact O-CB 3.38Å; L259-S262 PolarHBondContact O-N 3.37Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.39Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 3.19Å; S262-F265 PolarHBondContact O-N 3.01Å; S262-N266 PolarHBondContact O-N 3.34Å; S262-F289 WeakPolarHBondContact OG-CD2 3.33Å; S262-F289 WeakPolarHBondContact OG-CE2 3.5Å; S262-F289 PolarHBondContact OG-O 3.42Å; S262-T293 WeakPolarHBondContact OG-CG2 3.37Å
263A95.8Very high96.4Very high23 Ų2358.4 Ų58.419%0.1928%0.28CS..Hα-helixtrans-59.1-41.1175.500000112.5T211 L259 L260 V261 N266 I267T211-A263 HydrophobicContact CG2-CB 3.56Å; L259-A263 WeakPolarHBondContact O-CB 3.35Å; L259-A263 PolarHBondContact O-N 3.14Å; L260-A263 WeakPolarHBondContact O-CB 3.24Å; L260-A263 PolarHBondContact O-N 2.87Å; V261-A263 PolarHBondContact O-N 3.18Å; A263-N266 PolarHBondContact O-N 3.5Å; A263-I267 WeakPolarHBondContact O-CG1 3.37Å; A263-I267 PolarHBondContact O-N 2.89Å
264L96.5Very high96.4Very high106 Ų10658.5 Ų58.556%0.55529%0.289SS*.Hα-helixtrans-62.1-45.5176.9-69.6172.6000111.7L260 V261 S262 S268L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.42Å; V261-L264 WeakPolarHBondContact O-CB 3.47Å; V261-L264 PolarHBondContact O-N 3.39Å; S262-L264 VanDerWaalsContact C-N 3.32Å; S262-L264 PolarHBondContact O-N 3.19Å; L264-S268 WeakPolarHBondContact O-CB 3.17Å; L264-S268 PolarHBondContact O-N 3.5Å; L264-S268 PolarHBondContact O-OG 2.95Å
265F96.8Very high96.3Very high40 Ų4054.9 Ų54.918%0.17528%0.281CS..Hα-helixtrans-61.2-48.1174.6-81.2-66.7000111.5V261 S262 I267 K269 F270 S285 W288V261-F265 HydrophobicContact CG1-CD2 3.83Å; V261-F265 HydrophobicContact CG1-CE2 3.62Å; V261-F265 VanDerWaalsContact O-CD2 3.3Å; V261-F265 WeakPolarHBondContact O-CD2 3.47Å; V261-F265 PolarHBondContact O-N 3.16Å; S262-F265 PolarHBondContact O-N 3.01Å; F265-I267 VanDerWaalsContact C-N 3.32Å; F265-I267 PolarHBondContact O-N 2.81Å; F265-K269 PolarHBondContact O-N 3.23Å; F265-F270 VanDerWaalsContact CD1-O 3.26Å; F265-F270 WeakPolarHBondContact CD1-O 3.34Å; F265-F270 HydrophobicContact CE1-CD1 4.07Å; F265-S285 VanDerWaalsContact O-CB 3.3Å; F265-S285 WeakPolarHBondContact O-CB 3.41Å; F265-W288 HydrophobicContact CB-CB 4.41Å; F265-W288 HydrophobicContact CD1-CB 3.73Å; F265-W288 HydrophobicContact CD1-CG 4.28Å; F265-W288 HydrophobicContact CD2-CB 3.8Å; F265-W288 HydrophobicContact CE1-CB 3.83Å; F265-W288 AromaticContact CE1-CG 3.94Å; F265-W288 HydrophobicContact CE1-CG 3.94Å; F265-W288 HydrophobicContact CE2-CB 3.9Å; F265-W288 HydrophobicContact CE2-CG 4.43Å; F265-W288 HydrophobicContact CG-CB 3.73Å; F265-W288 HydrophobicContact CZ-CB 3.92Å; F265-W288 HydrophobicContact CZ-CD2 4.46Å; F265-W288 HydrophobicContact CZ-CG 4.03Å
266N93.8Very high96.3Very high14 Ų1457.6 Ų57.68%0.07530%0.299CS..Hα-helixtrans-60-39.5-177.4-173.738.3000113.1T211 S262 A263 K269 F289T211-N266 PolarHBondContact OG1-ND2 3.32Å; S262-N266 PolarHBondContact O-N 3.34Å; A263-N266 PolarHBondContact O-N 3.5Å; N266-K269 WeakPolarHBondContact O-CE 3.33Å; N266-K269 PolarHBondContact O-NZ 2.98Å; N266-K269 PolarHBondContact OD1-NZ 3.48Å; N266-F289 HydrophobicContact CB-CD2 3.73Å; N266-F289 HydrophobicContact CB-CE2 4.25Å; N266-F289 HydrophobicContact CB-CG 4.37Å
267I94.4Very high96.1Very high78 Ų7857.6 Ų57.640%0.430%0.304SS..Hα-helixtrans-81.7-47.6-179.7-65173.1000111.6T211 A263 F265 K269T211-I267 HydrophobicContact CG2-CD1 3.7Å; T211-I267 HydrophobicContact CG2-CG1 4.16Å; A263-I267 WeakPolarHBondContact O-CG1 3.37Å; A263-I267 PolarHBondContact O-N 2.89Å; F265-I267 VanDerWaalsContact C-N 3.32Å; F265-I267 PolarHBondContact O-N 2.81Å; I267-K269 PolarHBondContact O-N 3.43Å
268S94.8Very high96Very high41 Ų4163.3 Ų63.329%0.28732%0.318SS..Hα-helixtrans-72.7-27.8-16965.90000113.9L264 F270 R273L264-S268 WeakPolarHBondContact O-CB 3.17Å; L264-S268 PolarHBondContact O-N 3.5Å; L264-S268 PolarHBondContact O-OG 2.95Å; S268-F270 PolarHBondContact O-N 3.34Å; S268-F270 PolarHBondContact OG-N 3.4Å; S268-R273 WeakPolarHBondContact O-CD 3.36Å
269K95.1Very high96Very high10 Ų1062.6 Ų62.64%0.04332%0.317CS..  trans57.830.8-170.5-52.8-53.9-175.7-168.20113.3F20 Y207 F265 N266 I267 E272 R273 S285F20-K269 HydrophobicContact CD2-CB 3.87Å; F20-K269 HydrophobicContact CD2-CG 4.47Å; F20-K269 HydrophobicContact CE2-CB 3.88Å; F20-K269 HydrophobicContact CE2-CG 4.31Å; Y207-K269 VanDerWaalsContact CE2-CE 3.46Å; F265-K269 PolarHBondContact O-N 3.23Å; N266-K269 WeakPolarHBondContact O-CE 3.33Å; N266-K269 PolarHBondContact O-NZ 2.98Å; N266-K269 PolarHBondContact OD1-NZ 3.48Å; I267-K269 PolarHBondContact O-N 3.43Å; K269-E272 HydrophobicContact CB-CG 4.41Å; K269-E272 WeakPolarHBondContact O-CG 3.47Å; K269-E272 PolarHBondContact O-N 2.94Å; K269-E272 VanDerWaalsContact O-OE2 3.09Å; K269-R273 HydrophobicContact CB-CB 4.3Å; K269-R273 WeakPolarHBondContact O-CB 3.48Å; K269-R273 PolarHBondContact O-N 3.43Å; K269-S285 WeakPolarHBondContact CD-OG 3.17Å
270F95.3Very high96Very high101 Ų10160.1 Ų60.144%0.44331%0.305SS..THydrogen-bonded Turntrans-81.9138.4171.8178.1-85.8000110.1F265 S268 L274 S285F265-F270 VanDerWaalsContact CD1-O 3.26Å; F265-F270 WeakPolarHBondContact CD1-O 3.34Å; F265-F270 HydrophobicContact CE1-CD1 4.07Å; S268-F270 PolarHBondContact O-N 3.34Å; S268-F270 PolarHBondContact OG-N 3.4Å; F270-L274 HydrophobicContact CD2-CD1 3.72Å; F270-L274 HydrophobicContact CD2-CG 4.06Å; F270-L274 HydrophobicContact CE2-CD1 3.4Å; F270-L274 VanDerWaalsContact CE2-CD1 3.4Å; F270-L274 HydrophobicContact CE2-CG 4.22Å; F270-S285 WeakPolarHBondContact O-CA 3.32Å; F270-S285 WeakPolarHBondContact O-CB 3.31Å
271P96.8Very high95.9Very high16 Ų1657.5 Ų57.510%0.10429%0.291CS..THydrogen-bonded Turncis-93.2-8.76.936.3-36.1000115.6R273 L274 A275 F279 G283P271-R273 PolarHBondContact O-N 3.27Å; P271-R273 VanDerWaalsContact O-N 3.13Å; P271-L274 PolarHBondContact O-N 3.04Å; P271-A275 PolarHBondContact O-N 2.76Å; P271-F279 HydrophobicContact CB-CD2 4.23Å; P271-F279 HydrophobicContact CB-CE1 4.28Å; P271-F279 HydrophobicContact CB-CE2 3.77Å; P271-F279 HydrophobicContact CB-CZ 3.8Å; P271-F279 HydrophobicContact CG-CD1 3.71Å; P271-F279 HydrophobicContact CG-CD2 3.94Å; P271-F279 HydrophobicContact CG-CE1 3.59Å; P271-F279 HydrophobicContact CG-CE2 3.8Å; P271-F279 HydrophobicContact CG-CG 3.89Å; P271-F279 HydrophobicContact CG-CZ 3.63Å; P271-G283 VanDerWaalsContact CD-O 3.23Å; P271-G283 WeakPolarHBondContact CD-O 3.41Å; P271-G283 WeakPolarHBondContact CG-O 3.22Å
272E97.1Very high95.9Very high6 Ų662.8 Ų62.83%0.02831%0.307CS..THydrogen-bonded Turntrans-60.1-28.2-173.867.8-85.6-155.700113.3F20 I21 K269 L274 A275 P276 F279 H284 S285F20-E272 HydrophobicContact CB-CB 4.18Å; F20-E272 HydrophobicContact CB-CG 3.89Å; F20-E272 WeakPolarHBondContact CB-O 3.47Å; F20-E272 HydrophobicContact CD2-CG 4.34Å; I21-E272 HydrophobicContact CD1-CB 4.21Å; I21-E272 HydrophobicContact CD1-CG 4.26Å; K269-E272 HydrophobicContact CB-CG 4.41Å; K269-E272 WeakPolarHBondContact O-CG 3.47Å; K269-E272 PolarHBondContact O-N 2.94Å; K269-E272 VanDerWaalsContact O-OE2 3.09Å; E272-L274 VanDerWaalsContact C-N 3.28Å; E272-L274 PolarHBondContact O-N 3.43Å; E272-A275 CarbonylContact O-C 3.29Å; E272-A275 VanDerWaalsContact O-C 3.29Å; E272-A275 PolarHBondContact O-N 3.35Å; E272-P276 WeakPolarHBondContact O-CA 3.41Å; E272-P276 VanDerWaalsContact O-N 3.1Å; E272-F279 HydrophobicContact CB-CB 4.07Å; E272-H284 HydrophobicContact CB-CB 4.24Å; E272-H284 HydrophobicContact CG-CB 4.31Å; E272-H284 WeakPolarHBondContact OE2-CA 3.48Å; E272-S285 VanDerWaalsContact CD-N 3.3Å; E272-S285 WeakPolarHBondContact OE1-CB 3.49Å; E272-S285 PolarHBondContact OE1-N 3.33Å; E272-S285 PolarHBondContact OE1-OG 3.14Å; E272-S285 WeakPolarHBondContact OE2-CB 3.36Å; E272-S285 PolarHBondContact OE2-N 3.36Å
273R96.3Very high95.9Very high150 Ų15063.4 Ų63.457%0.56631%0.314SS*.THydrogen-bonded Turntrans-62.3-31.4173.2-179.7172.1-177.3-1801.1113.7F20 S268 K269 P271F20-R273 HydrophobicContact CD2-CB 3.87Å; F20-R273 HydrophobicContact CD2-CG 4.35Å; F20-R273 HydrophobicContact CE1-CB 4.48Å; F20-R273 HydrophobicContact CE1-CG 4.07Å; F20-R273 HydrophobicContact CE2-CB 3.78Å; F20-R273 HydrophobicContact CE2-CG 3.81Å; F20-R273 HydrophobicContact CG-CB 4.29Å; F20-R273 HydrophobicContact CZ-CB 4.11Å; F20-R273 HydrophobicContact CZ-CG 3.66Å; S268-R273 WeakPolarHBondContact O-CD 3.36Å; K269-R273 HydrophobicContact CB-CB 4.3Å; K269-R273 WeakPolarHBondContact O-CB 3.48Å; K269-R273 PolarHBondContact O-N 3.43Å; P271-R273 PolarHBondContact O-N 3.27Å; P271-R273 VanDerWaalsContact O-N 3.13Å
274L96.3Very high95.9Very high134 Ų13462.8 Ų62.870%0.70231%0.307SS*.THydrogen-bonded Turntrans-86-29.4-179.4-64.3-171.9000112.9F270 P271 E272F270-L274 HydrophobicContact CD2-CD1 3.72Å; F270-L274 HydrophobicContact CD2-CG 4.06Å; F270-L274 HydrophobicContact CE2-CD1 3.4Å; F270-L274 VanDerWaalsContact CE2-CD1 3.4Å; F270-L274 HydrophobicContact CE2-CG 4.22Å; P271-L274 PolarHBondContact O-N 3.04Å; E272-L274 VanDerWaalsContact C-N 3.28Å; E272-L274 PolarHBondContact O-N 3.43Å
275A95.9Very high96Very high26 Ų2657.7 Ų57.722%0.21528%0.28CS..SBendtrans-137.676.8176.800000110.8P271 E272 G277 R278 F279P271-A275 PolarHBondContact O-N 2.76Å; E272-A275 CarbonylContact O-C 3.29Å; E272-A275 VanDerWaalsContact O-C 3.29Å; E272-A275 PolarHBondContact O-N 3.35Å; A275-G277 PolarHBondContact O-N 2.93Å; A275-R278 HydrophobicContact CB-CB 4.14Å; A275-R278 HydrophobicContact CB-CG 4.03Å; A275-R278 PolarHBondContact O-N 3.48Å; A275-F279 HydrophobicContact CB-CE2 4.13Å
276P96.2Very high96Very high63 Ų6358 Ų5841%0.40928%0.282SS..THydrogen-bonded Turntrans-54.6138.4177.8-25.635.2000111.4F20 L22 E272 R278F20-P276 HydrophobicContact CB-CB 4.36Å; F20-P276 HydrophobicContact CB-CG 4.41Å; F20-P276 HydrophobicContact CD1-CG 4.17Å; L22-P276 HydrophobicContact CD1-CB 4.1Å; L22-P276 HydrophobicContact CG-CB 4.41Å; E272-P276 WeakPolarHBondContact O-CA 3.41Å; E272-P276 VanDerWaalsContact O-N 3.1Å; P276-R278 VanDerWaalsContact C-N 3.31Å; P276-R278 PolarHBondContact O-N 3.08Å
277G93.7Very high96.2Very high30 Ų3058 Ų5831%0.30928%0.282SS..THydrogen-bonded Turntrans87.2-23.1-177.500000115.5F20 A275 D280F20-G277 PolarHBondContact O-N 3.34Å; A275-G277 PolarHBondContact O-N 2.93Å; G277-D280 WeakPolarHBondContact CA-OD1 3.26Å; G277-D280 PolarHBondContact N-OD1 3.02Å
278R95.6Very high96.3Very high213 Ų21359.9 Ų59.980%0.80428%0.284SS*.THydrogen-bonded Turntrans-80.5-26.1-177.6-67.7-158.8179.5-163.8-0.5114A275 P276A275-R278 HydrophobicContact CB-CB 4.14Å; A275-R278 HydrophobicContact CB-CG 4.03Å; A275-R278 PolarHBondContact O-N 3.48Å; P276-R278 VanDerWaalsContact C-N 3.31Å; P276-R278 PolarHBondContact O-N 3.08Å
279F96.9Very high96.4Very high61 Ų6160.5 Ų60.527%0.26828%0.281SS..THydrogen-bonded Turntrans-111.521-175.9-61.3-83.4000111.9P271 E272 A275 I281 W282 H284P271-F279 HydrophobicContact CB-CD2 4.23Å; P271-F279 HydrophobicContact CB-CE1 4.28Å; P271-F279 HydrophobicContact CB-CE2 3.77Å; P271-F279 HydrophobicContact CB-CZ 3.8Å; P271-F279 HydrophobicContact CG-CD1 3.71Å; P271-F279 HydrophobicContact CG-CD2 3.94Å; P271-F279 HydrophobicContact CG-CE1 3.59Å; P271-F279 HydrophobicContact CG-CE2 3.8Å; P271-F279 HydrophobicContact CG-CG 3.89Å; P271-F279 HydrophobicContact CG-CZ 3.63Å; E272-F279 HydrophobicContact CB-CB 4.07Å; A275-F279 HydrophobicContact CB-CE2 4.13Å; F279-I281 VanDerWaalsContact C-N 3.25Å; F279-I281 PolarHBondContact O-N 3.21Å; F279-W282 WeakPolarHBondContact CA-O 3.34Å; F279-W282 WeakPolarHBondContact CD1-O 3.49Å; F279-H284 HydrophobicContact CB-CB 4.16Å; F279-H284 WeakPolarHBondContact O-CB 3.46Å; F279-H284 PolarHBondContact O-CD2 2.86Å
280D96.7Very high96.6Very high6 Ų660.1 Ų60.13%0.03228%0.28CS..SBendtrans-59.7-34.8-173.6-77.1-1.6000113.4I21 L22 S23 N44 G277I21-D280 WeakPolarHBondContact CA-OD1 3.35Å; I21-D280 HydrophobicContact CG2-CB 4.27Å; L22-D280 PolarHBondContact N-OD1 3.25Å; L22-D280 PolarHBondContact N-OD2 3.39Å; S23-D280 WeakPolarHBondContact CA-OD2 3.28Å; S23-D280 WeakPolarHBondContact CB-OD2 3.46Å; S23-D280 PolarHBondContact N-OD2 2.88Å; S23-D280 PolarHBondContact OG-OD2 2.56Å; N44-D280 VanDerWaalsContact CA-O 3.23Å; N44-D280 WeakPolarHBondContact CA-O 3.41Å; N44-D280 WeakPolarHBondContact CB-O 3.4Å; G277-D280 WeakPolarHBondContact CA-OD1 3.26Å; G277-D280 PolarHBondContact N-OD1 3.02Å
281I96.3Very high96.7Very high49 Ų4957.2 Ų57.225%0.25127%0.272SS..SBendtrans-105.3-40.7-177.7-59.1169.7000111.2P42 F279 Q287P42-I281 HydrophobicContact CB-CD1 4.32Å; P42-I281 HydrophobicContact CB-CG2 3.84Å; F279-I281 VanDerWaalsContact C-N 3.25Å; F279-I281 PolarHBondContact O-N 3.21Å; I281-Q287 PolarHBondContact O-NE2 3.38Å
282W97.6Very high96.7Very high148 Ų14856.8 Ų56.856%0.56127%0.269SS*.SBendtrans-133.1139.3-171.6-62.7114.4000111.9T46 F279 H284T46-W282 HydrophobicContact CG2-CH2 4.03Å; T46-W282 HydrophobicContact CG2-CZ2 4.38Å; F279-W282 WeakPolarHBondContact CA-O 3.34Å; F279-W282 WeakPolarHBondContact CD1-O 3.49Å; W282-H284 PolarHBondContact O-N 2.58Å
283G95.8Very high96.7Very high17 Ų1757.5 Ų57.518%0.17527%0.274CS..SBendtrans78.512.116800000115.5P271 W288P271-G283 VanDerWaalsContact CD-O 3.23Å; P271-G283 WeakPolarHBondContact CD-O 3.41Å; P271-G283 WeakPolarHBondContact CG-O 3.22Å; G283-W288 VanDerWaalsContact O-CD1 3.27Å; G283-W288 PolarHBondContact O-NE1 3.13Å; G283-W288 VanDerWaalsContact O-NE1 3.09Å
284H97.1Very high96.7Very high9 Ų951.9 Ų51.94%0.04225%0.254CS..  trans-71.6159.4170.361.681.8000111.6I21 N44 N48 E272 F279 W282 H286 Q287 W288I21-H284 HydrophobicContact CD1-CB 3.81Å; N44-H284 PolarHBondContact O-NE2 3.16Å; N48-H284 PolarHBondContact OD1-CE1 3.45Å; N48-H284 VanDerWaalsContact OD1-CE1 3.23Å; E272-H284 HydrophobicContact CB-CB 4.24Å; E272-H284 HydrophobicContact CG-CB 4.31Å; E272-H284 WeakPolarHBondContact OE2-CA 3.48Å; F279-H284 HydrophobicContact CB-CB 4.16Å; F279-H284 WeakPolarHBondContact O-CB 3.46Å; F279-H284 PolarHBondContact O-CD2 2.86Å; W282-H284 PolarHBondContact O-N 2.58Å; H284-H286 PolarHBondContact O-N 3.4Å; H284-H286 VanDerWaalsContact O-N 3.09Å; H284-Q287 PolarHBondContact CD2-NE2 2.56Å; H284-Q287 PolarHBondContact NE2-NE2 3.31Å; H284-Q287 WeakPolarHBondContact O-CB 3.17Å; H284-Q287 PolarHBondContact O-N 3.26Å; H284-W288 PolarHBondContact O-N 2.58Å
285S97.3Very high96.8Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-53.8-36.2-171.169.60000114.1F265 K269 F270 E272 Q287 W288 F289F265-S285 VanDerWaalsContact O-CB 3.3Å; F265-S285 WeakPolarHBondContact O-CB 3.41Å; K269-S285 WeakPolarHBondContact CD-OG 3.17Å; F270-S285 WeakPolarHBondContact O-CA 3.32Å; F270-S285 WeakPolarHBondContact O-CB 3.31Å; E272-S285 VanDerWaalsContact CD-N 3.3Å; E272-S285 WeakPolarHBondContact OE1-CB 3.49Å; E272-S285 PolarHBondContact OE1-N 3.33Å; E272-S285 PolarHBondContact OE1-OG 3.14Å; E272-S285 WeakPolarHBondContact OE2-CB 3.36Å; E272-S285 PolarHBondContact OE2-N 3.36Å; S285-Q287 VanDerWaalsContact C-N 3.33Å; S285-Q287 PolarHBondContact O-N 3.24Å; S285-W288 CarbonylContact O-C 3.59Å; S285-W288 PolarHBondContact O-N 3.33Å; S285-F289 WeakPolarHBondContact O-CB 3.39Å; S285-F289 PolarHBondContact O-N 3.48Å
286H96.6Very high96.9Very high47 Ų4747 Ų4722%0.21822%0.224CC..Hα-helixtrans-65-35.9179.4-161.973.7000112H101 H284 F289 H290H101-H286 AromaticContact CE1-CD2 3.7Å; H101-H286 AromaticContact CE1-NE2 3.28Å; H101-H286 PolarHBondContact CE1-NE2 3.32Å; H101-H286 VanDerWaalsContact CE1-NE2 3.28Å; H101-H286 AromaticContact NE2-CD2 3.92Å; H101-H286 AromaticContact NE2-NE2 3.2Å; H101-H286 PolarHBondContact NE2-NE2 3.13Å; H284-H286 PolarHBondContact O-N 3.4Å; H284-H286 VanDerWaalsContact O-N 3.09Å; H286-F289 WeakPolarHBondContact O-CB 3.42Å; H286-F289 PolarHBondContact O-N 3Å; H286-H290 AromaticContact CD2-CD2 3.52Å; H286-H290 AromaticContact CD2-NE2 3.12Å; H286-H290 PolarHBondContact CD2-NE2 3.46Å; H286-H290 AromaticContact CE1-NE2 3.9Å; H286-H290 AromaticContact NE2-CD2 3.72Å; H286-H290 AromaticContact NE2-CE1 3.6Å; H286-H290 AromaticContact NE2-NE2 2.9Å; H286-H290 PolarHBondContact NE2-NE2 3.38Å; H286-H290 PolarHBondContact O-CD2 3.39Å; H286-H290 PolarHBondContact O-N 3.41Å
287Q97.9Very high97Very high13 Ų1344.6 Ų44.66%0.06121%0.208CC..Hα-helixtrans-66.5-41.2172.5-67.7176.71100111.4N48 I281 H284 S285 H290 C291N48-Q287 WeakPolarHBondContact OD1-CG 3.45Å; I281-Q287 PolarHBondContact O-NE2 3.38Å; H284-Q287 PolarHBondContact CD2-NE2 2.56Å; H284-Q287 PolarHBondContact NE2-NE2 3.31Å; H284-Q287 WeakPolarHBondContact O-CB 3.17Å; H284-Q287 PolarHBondContact O-N 3.26Å; S285-Q287 VanDerWaalsContact C-N 3.33Å; S285-Q287 PolarHBondContact O-N 3.24Å; Q287-H290 WeakPolarHBondContact O-CB 2.96Å; Q287-H290 PolarHBondContact O-N 3.26Å; Q287-C291 PolarHBondContact O-N 2.91Å; Q287-C291 PolarHBondContact O-SG 2.88Å
288W97.8Very high97.2Very high118 Ų11844.3 Ų44.345%0.44720%0.199SC..Hα-helixtrans-67.1-38.1175.7-71.7111.4000112.6F265 G283 H284 S285 H290 C291 C292F265-W288 HydrophobicContact CB-CB 4.41Å; F265-W288 HydrophobicContact CD1-CB 3.73Å; F265-W288 HydrophobicContact CD1-CG 4.28Å; F265-W288 HydrophobicContact CD2-CB 3.8Å; F265-W288 HydrophobicContact CE1-CB 3.83Å; F265-W288 AromaticContact CE1-CG 3.94Å; F265-W288 HydrophobicContact CE1-CG 3.94Å; F265-W288 HydrophobicContact CE2-CB 3.9Å; F265-W288 HydrophobicContact CE2-CG 4.43Å; F265-W288 HydrophobicContact CG-CB 3.73Å; F265-W288 HydrophobicContact CZ-CB 3.92Å; F265-W288 HydrophobicContact CZ-CD2 4.46Å; F265-W288 HydrophobicContact CZ-CG 4.03Å; G283-W288 VanDerWaalsContact O-CD1 3.27Å; G283-W288 PolarHBondContact O-NE1 3.13Å; G283-W288 VanDerWaalsContact O-NE1 3.09Å; H284-W288 PolarHBondContact O-N 2.58Å; S285-W288 CarbonylContact O-C 3.59Å; S285-W288 PolarHBondContact O-N 3.33Å; W288-H290 VanDerWaalsContact C-N 3.33Å; W288-H290 PolarHBondContact O-N 3.48Å; W288-C291 PolarHBondContact O-N 2.96Å; W288-C292 WeakPolarHBondContact O-CB 3.29Å; W288-C292 PolarHBondContact O-N 3.15Å; W288-C292 PolarHBondContact O-SG 2.98Å; W288-C292 VanDerWaalsContact O-SG 3.32Å
289F97.3Very high97.3Very high53 Ų5335 Ų3523%0.23217%0.165CC..Hα-helixtrans-53.7-51.5171.2165.1-95.4000110.2S262 N266 S285 H286 C292 T293S262-F289 WeakPolarHBondContact OG-CD2 3.33Å; S262-F289 WeakPolarHBondContact OG-CE2 3.5Å; S262-F289 PolarHBondContact OG-O 3.42Å; N266-F289 HydrophobicContact CB-CD2 3.73Å; N266-F289 HydrophobicContact CB-CE2 4.25Å; N266-F289 HydrophobicContact CB-CG 4.37Å; S285-F289 WeakPolarHBondContact O-CB 3.39Å; S285-F289 PolarHBondContact O-N 3.48Å; H286-F289 WeakPolarHBondContact O-CB 3.42Å; H286-F289 PolarHBondContact O-N 3Å; F289-C292 PolarHBondContact O-N 3.37Å; F289-T293 HydrophobicContact CD2-CG2 4.27Å; F289-T293 HydrophobicContact CE1-CG2 4.19Å; F289-T293 HydrophobicContact CE2-CG2 3.8Å; F289-T293 HydrophobicContact CZ-CG2 3.75Å; F289-T293 WeakPolarHBondContact O-CG2 3.34Å; F289-T293 PolarHBondContact O-N 2.66Å; F289-T293 PolarHBondContact O-OG1 3.11Å
290H97.4Very high97.4Very high3 Ų332.2 Ų32.21%0.01415%0.153CC..Hα-helixtrans-58.5-45.6175.8-73.6-61000113.2T51 H52 H101 H286 Q287 W288 C292 T293 F294T51-H290 WeakPolarHBondContact OG1-CB 3.38Å; H52-H290 AromaticContact CD2-CE1 3.8Å; H52-H290 AromaticContact CD2-CG 3.5Å; H52-H290 AromaticContact CD2-ND1 2.98Å; H52-H290 PolarHBondContact CD2-ND1 3.37Å; H52-H290 AromaticContact CE1-ND1 3.56Å; H52-H290 AromaticContact CG-ND1 3.85Å; H52-H290 AromaticContact NE2-CE1 3.76Å; H52-H290 AromaticContact NE2-CG 3.54Å; H52-H290 AromaticContact NE2-ND1 2.77Å; H52-H290 PolarHBondContact NE2-ND1 3.37Å; H101-H290 AromaticContact CD2-NE2 3.81Å; H101-H290 AromaticContact NE2-CE1 3.67Å; H101-H290 AromaticContact NE2-NE2 3.34Å; H101-H290 PolarHBondContact NE2-NE2 3.02Å; H286-H290 AromaticContact CD2-CD2 3.52Å; H286-H290 AromaticContact CD2-NE2 3.12Å; H286-H290 PolarHBondContact CD2-NE2 3.46Å; H286-H290 AromaticContact CE1-NE2 3.9Å; H286-H290 AromaticContact NE2-CD2 3.72Å; H286-H290 AromaticContact NE2-CE1 3.6Å; H286-H290 AromaticContact NE2-NE2 2.9Å; H286-H290 PolarHBondContact NE2-NE2 3.38Å; H286-H290 PolarHBondContact O-CD2 3.39Å; H286-H290 PolarHBondContact O-N 3.41Å; Q287-H290 WeakPolarHBondContact O-CB 2.96Å; Q287-H290 PolarHBondContact O-N 3.26Å; W288-H290 VanDerWaalsContact C-N 3.33Å; W288-H290 PolarHBondContact O-N 3.48Å; H290-C292 PolarHBondContact O-N 2.95Å; H290-T293 WeakPolarHBondContact CA-OG1 3.27Å; H290-T293 PolarHBondContact O-N 3.48Å; H290-T293 PolarHBondContact O-OG1 3.48Å; H290-F294 WeakPolarHBondContact O-CB 3.37Å; H290-F294 PolarHBondContact O-N 2.88Å
291C98Very high97.4Very high40 Ų4032.1 Ų32.127%0.2715%0.152SC..Hα-helixtrans-62.7-43.1177.8-69.50000112Q287 W288 F294 L295Q287-C291 PolarHBondContact O-N 2.91Å; Q287-C291 PolarHBondContact O-SG 2.88Å; W288-C291 PolarHBondContact O-N 2.96Å; C291-F294 WeakPolarHBondContact O-CB 3.28Å; C291-F294 PolarHBondContact O-N 2.92Å; C291-L295 WeakPolarHBondContact O-CG 3.43Å; C291-L295 PolarHBondContact O-N 3.32Å
292C98.1Very high97.4Very high6 Ų631.6 Ų31.64%0.04115%0.149CC..Hα-helixtrans-70.7-38.9179.5-67.20000112.3W288 F289 H290 F294 L295 S296W288-C292 WeakPolarHBondContact O-CB 3.29Å; W288-C292 PolarHBondContact O-N 3.15Å; W288-C292 PolarHBondContact O-SG 2.98Å; W288-C292 VanDerWaalsContact O-SG 3.32Å; F289-C292 PolarHBondContact O-N 3.37Å; H290-C292 PolarHBondContact O-N 2.95Å; C292-F294 VanDerWaalsContact C-N 3.34Å; C292-L295 PolarHBondContact O-N 3.31Å; C292-S296 WeakPolarHBondContact O-CB 3.45Å; C292-S296 PolarHBondContact O-N 3.5Å
293T96.8Very high97.3Very high22 Ų2224.5 Ų24.514%0.13512%0.122CC..Hα-helixtrans-63.6-41.4173.451.90000111.1S262 F289 H290 L295 S296 I297S262-T293 WeakPolarHBondContact OG-CG2 3.37Å; F289-T293 HydrophobicContact CD2-CG2 4.27Å; F289-T293 HydrophobicContact CE1-CG2 4.19Å; F289-T293 HydrophobicContact CE2-CG2 3.8Å; F289-T293 HydrophobicContact CZ-CG2 3.75Å; F289-T293 WeakPolarHBondContact O-CG2 3.34Å; F289-T293 PolarHBondContact O-N 2.66Å; F289-T293 PolarHBondContact O-OG1 3.11Å; H290-T293 WeakPolarHBondContact CA-OG1 3.27Å; H290-T293 PolarHBondContact O-N 3.48Å; H290-T293 PolarHBondContact O-OG1 3.48Å; T293-L295 PolarHBondContact O-N 3.3Å; T293-S296 WeakPolarHBondContact O-CB 3.28Å; T293-S296 PolarHBondContact O-N 2.92Å; T293-I297 VanDerWaalsContact O-CG1 3.28Å; T293-I297 WeakPolarHBondContact O-CG1 3.39Å; T293-I297 PolarHBondContact O-N 3.33Å
294F96.5Very high97.2Very high32 Ų3223.7 Ų23.714%0.1411%0.114CC..Hα-helixtrans-54.6-53.3172.5155-111.5000112.1P55 I58 F59 H290 C291 C292 S296 I297 L298P55-F294 HydrophobicContact CB-CD2 3.5Å; P55-F294 HydrophobicContact CB-CE2 3.74Å; P55-F294 HydrophobicContact CB-CG 4.31Å; P55-F294 HydrophobicContact CG-CB 4.38Å; P55-F294 HydrophobicContact CG-CD2 3.59Å; P55-F294 HydrophobicContact CG-CE2 3.97Å; P55-F294 HydrophobicContact CG-CG 3.91Å; I58-F294 HydrophobicContact CD1-CE2 4.34Å; I58-F294 HydrophobicContact CD1-CZ 3.98Å; F59-F294 AromaticContact CE2-CD2 3.67Å; F59-F294 HydrophobicContact CE2-CD2 3.67Å; F59-F294 AromaticContact CE2-CE2 3.9Å; F59-F294 HydrophobicContact CE2-CE2 3.9Å; F59-F294 HydrophobicContact CZ-CD2 4.11Å; F59-F294 HydrophobicContact CZ-CE2 4.29Å; H290-F294 WeakPolarHBondContact O-CB 3.37Å; H290-F294 PolarHBondContact O-N 2.88Å; C291-F294 WeakPolarHBondContact O-CB 3.28Å; C291-F294 PolarHBondContact O-N 2.92Å; C292-F294 VanDerWaalsContact C-N 3.34Å; F294-S296 VanDerWaalsContact C-N 3.25Å; F294-S296 PolarHBondContact O-N 3.01Å; F294-I297 PolarHBondContact O-N 3.3Å; F294-L298 HydrophobicContact CE2-CB 4.36Å; F294-L298 HydrophobicContact CE2-CD2 4.27Å; F294-L298 HydrophobicContact CZ-CD2 3.91Å; F294-L298 WeakPolarHBondContact O-CB 3.49Å; F294-L298 PolarHBondContact O-N 3.36Å
295L98.2Very high97Very high57 Ų5723.5 Ų23.530%0.29811%0.113SC..Hα-helixtrans-60.6-38-180-69.8171.6000111.8W258 C291 C292 T293 L298 D299W258-L295 HydrophobicContact CD2-CB 3.98Å; W258-L295 HydrophobicContact CD2-CD1 4.15Å; W258-L295 HydrophobicContact CE3-CD1 4.13Å; W258-L295 HydrophobicContact CG-CB 3.96Å; W258-L295 HydrophobicContact CH2-CD1 3.89Å; W258-L295 HydrophobicContact CZ2-CD1 3.89Å; W258-L295 HydrophobicContact CZ3-CD1 4.01Å; C291-L295 WeakPolarHBondContact O-CG 3.43Å; C291-L295 PolarHBondContact O-N 3.32Å; C292-L295 PolarHBondContact O-N 3.31Å; T293-L295 PolarHBondContact O-N 3.3Å; L295-L298 PolarHBondContact O-N 3.15Å; L295-D299 PolarHBondContact O-N 3.14Å
296S98.1Very high96.8Very high1 Ų123.7 Ų23.71%0.00712%0.115CC..Hα-helixtrans-60.9-49.6174.8177.20000112.5H255 L259 C292 T293 F294 L298 D299 E300H255-S296 PolarHBondContact CE1-OG 3.08Å; H255-S296 PolarHBondContact ND1-O 3.43Å; H255-S296 PolarHBondContact ND1-OG 3.27Å; H255-S296 PolarHBondContact O-OG 3.33Å; L259-S296 WeakPolarHBondContact CD2-OG 3.46Å; L259-S296 VanDerWaalsContact CG-OG 3.26Å; L259-S296 WeakPolarHBondContact CG-OG 3.49Å; C292-S296 WeakPolarHBondContact O-CB 3.45Å; C292-S296 PolarHBondContact O-N 3.5Å; T293-S296 WeakPolarHBondContact O-CB 3.28Å; T293-S296 PolarHBondContact O-N 2.92Å; F294-S296 VanDerWaalsContact C-N 3.25Å; F294-S296 PolarHBondContact O-N 3.01Å; S296-L298 VanDerWaalsContact C-N 3.26Å; S296-L298 PolarHBondContact O-N 3.08Å; S296-D299 PolarHBondContact O-N 3.42Å; S296-E300 PolarHBondContact O-N 3.28Å
297I97.8Very high96.6Very high11 Ų1121.5 Ų21.56%0.05610%0.104CC..Hα-helixtrans-66.5-32.8178.9-59.5168.8000110.2F59 Y86 V90 L93 Y125 T293 F294 E300 L301F59-I297 HydrophobicContact CE1-CB 4.25Å; F59-I297 HydrophobicContact CE1-CG2 3.6Å; F59-I297 HydrophobicContact CE2-CG2 4.43Å; F59-I297 HydrophobicContact CZ-CB 3.76Å; F59-I297 HydrophobicContact CZ-CG2 3.51Å; Y86-I297 PolarHBondContact OH-O 3.38Å; V90-I297 HydrophobicContact CG1-CG2 4.07Å; V90-I297 HydrophobicContact CG2-CG2 3.77Å; L93-I297 HydrophobicContact CD2-CD1 3.7Å; Y125-I297 HydrophobicContact CE1-CD1 4.48Å; Y125-I297 HydrophobicContact CE2-CG2 4.27Å; T293-I297 VanDerWaalsContact O-CG1 3.28Å; T293-I297 WeakPolarHBondContact O-CG1 3.39Å; T293-I297 PolarHBondContact O-N 3.33Å; F294-I297 PolarHBondContact O-N 3.3Å; I297-E300 WeakPolarHBondContact O-CB 3.45Å; I297-E300 PolarHBondContact O-N 3.35Å; I297-L301 PolarHBondContact O-N 2.83Å
298L97.8Very high96.2Very high25 Ų2520.9 Ų20.913%0.13110%0.101CC..Hα-helixtrans-67.5-43.9175.9-176.662.7000112.1I58 F59 Y62 F294 L295 S296 E300 L301 H302I58-L298 HydrophobicContact CG2-CD1 4.45Å; F59-L298 HydrophobicContact CE1-CB 4.36Å; F59-L298 HydrophobicContact CE1-CD1 4.32Å; F59-L298 HydrophobicContact CZ-CB 4.14Å; Y62-L298 HydrophobicContact CD2-CD1 3.83Å; Y62-L298 HydrophobicContact CE2-CD1 3.86Å; F294-L298 HydrophobicContact CE2-CB 4.36Å; F294-L298 HydrophobicContact CE2-CD2 4.27Å; F294-L298 HydrophobicContact CZ-CD2 3.91Å; F294-L298 WeakPolarHBondContact O-CB 3.49Å; F294-L298 PolarHBondContact O-N 3.36Å; L295-L298 PolarHBondContact O-N 3.15Å; S296-L298 VanDerWaalsContact C-N 3.26Å; S296-L298 PolarHBondContact O-N 3.08Å; L298-E300 VanDerWaalsContact C-N 3.3Å; L298-L301 PolarHBondContact O-N 3.27Å; L298-H302 PolarHBondContact O-N 3.43Å; L298-H302 VanDerWaalsContact O-N 3.11Å; L298-H302 PolarHBondContact O-ND1 2.87Å
299D98Very high95.8Very high16 Ų1619.6 Ų19.69%0.08610%0.096CC..Hα-helixtrans-63.2-37.7172.7-87.4-48.6000111.2F251 R254 H255 W258 L295 S296 H302 M303F251-D299 WeakPolarHBondContact CD1-OD1 3.36Å; R254-D299 WeakPolarHBondContact CB-OD2 3.34Å; R254-D299 IonicContact CZ-OD1 3.54Å; R254-D299 IonicContact NE-OD1 3.41Å; R254-D299 PolarHBondContact NE-OD1 3.16Å; R254-D299 IonicContact NE-OD2 3.23Å; R254-D299 IonicContact NH2-OD1 2.72Å; R254-D299 PolarHBondContact NH2-OD1 3.06Å; H255-D299 HydrophobicContact CB-CB 4.06Å; W258-D299 VanDerWaalsContact CD1-OD2 3.26Å; W258-D299 PolarHBondContact NE1-OD2 3.47Å; L295-D299 PolarHBondContact O-N 3.14Å; S296-D299 PolarHBondContact O-N 3.42Å; D299-H302 PolarHBondContact O-N 3.3Å; D299-M303 WeakPolarHBondContact O-CB 3.48Å; D299-M303 PolarHBondContact O-N 3.39Å
300E97.6Very high95.3Very high4 Ų417 Ų172%0.0199%0.085CC..Hα-helixtrans-61.9-45.3173.1178-172.4-126.400112.6Y86 Y125 S129 Y133 S296 I297 L298 H302 M303 I304Y86-E300 HydrophobicContact CE2-CG 4.29Å; Y86-E300 WeakPolarHBondContact CE2-OE2 3.24Å; Y86-E300 PolarHBondContact OH-OE2 3.02Å; Y125-E300 VanDerWaalsContact OH-CD 3.26Å; Y125-E300 PolarHBondContact OH-OE1 3.12Å; Y125-E300 PolarHBondContact OH-OE2 3.46Å; S129-E300 WeakPolarHBondContact CB-OE1 3.36Å; S129-E300 PolarHBondContact OG-OE1 3.41Å; Y133-E300 HydrophobicContact CE1-CG 4.04Å; Y133-E300 VanDerWaalsContact CZ-OE1 3.27Å; Y133-E300 VanDerWaalsContact OH-CD 3.3Å; Y133-E300 VanDerWaalsContact OH-CG 3.26Å; Y133-E300 WeakPolarHBondContact OH-CG 3.46Å; Y133-E300 PolarHBondContact OH-OE1 3Å; S296-E300 PolarHBondContact O-N 3.28Å; I297-E300 WeakPolarHBondContact O-CB 3.45Å; I297-E300 PolarHBondContact O-N 3.35Å; L298-E300 VanDerWaalsContact C-N 3.3Å; E300-H302 VanDerWaalsContact C-N 3.33Å; E300-H302 PolarHBondContact O-N 3.46Å; E300-M303 HydrophobicContact CG-CE 4.2Å; E300-M303 VanDerWaalsContact O-CB 3.25Å; E300-M303 WeakPolarHBondContact O-CB 3.42Å; E300-M303 PolarHBondContact O-N 3.07Å; E300-I304 HydrophobicContact CG-CD1 4Å; E300-I304 WeakPolarHBondContact O-CG1 3.3Å; E300-I304 PolarHBondContact O-N 3.44Å
301L97Very high94.8Very high3 Ų317.1 Ų17.12%0.0169%0.086CC..Hα-helixtrans-58.3-47.8176.6170.661.4000110.6F59 M83 Y86 I297 L298 M303 I304 Q305F59-L301 HydrophobicContact CD1-CD2 3.77Å; F59-L301 HydrophobicContact CE1-CB 4.3Å; F59-L301 HydrophobicContact CE1-CD2 4.24Å; M83-L301 HydrophobicContact CE-CD1 3.36Å; Y86-L301 HydrophobicContact CE1-CB 4.26Å; Y86-L301 HydrophobicContact CE1-CD1 3.91Å; I297-L301 PolarHBondContact O-N 2.83Å; L298-L301 PolarHBondContact O-N 3.27Å; L301-M303 VanDerWaalsContact C-N 3.28Å; L301-M303 PolarHBondContact O-N 3.42Å; L301-I304 PolarHBondContact O-N 2.92Å; L301-Q305 HydrophobicContact CD1-CG 3.95Å; L301-Q305 HydrophobicContact CG-CG 4.37Å; L301-Q305 WeakPolarHBondContact O-CB 3.47Å; L301-Q305 WeakPolarHBondContact O-CG 3.48Å; L301-Q305 PolarHBondContact O-N 3Å
302H96.3Very high94.1Very high38 Ų3816.7 Ų16.718%0.1768%0.081CC..Hα-helixtrans-63.3-35.9178.6-68.7127.5000112.5Y62 F251 L298 D299 E300 Q305 A306Y62-H302 AromaticContact CD1-NE2 3.86Å; Y62-H302 AromaticContact CE1-NE2 3.62Å; Y62-H302 AromaticContact CZ-NE2 3.81Å; F251-H302 HydrophobicContact CD1-CB 3.46Å; F251-H302 VanDerWaalsContact CD1-CB 3.46Å; F251-H302 HydrophobicContact CD2-CB 4.33Å; F251-H302 HydrophobicContact CE1-CB 3.31Å; F251-H302 AromaticContact CE1-CG 3.85Å; F251-H302 HydrophobicContact CE2-CB 4.17Å; F251-H302 HydrophobicContact CG-CB 4.04Å; F251-H302 HydrophobicContact CZ-CB 3.7Å; L298-H302 PolarHBondContact O-N 3.43Å; L298-H302 VanDerWaalsContact O-N 3.11Å; L298-H302 PolarHBondContact O-ND1 2.87Å; D299-H302 PolarHBondContact O-N 3.3Å; E300-H302 VanDerWaalsContact C-N 3.33Å; E300-H302 PolarHBondContact O-N 3.46Å; H302-Q305 PolarHBondContact O-N 3.23Å; H302-A306 WeakPolarHBondContact O-CB 3.32Å; H302-A306 PolarHBondContact O-N 3.48Å
303M95.6Very high93.4Very high0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-58.6-50.3173.1-171.9-170.756.600111.3Y133 I137 V225 M248 F251 F252 D299 E300 L301 A306 E307Y133-M303 HydrophobicContact CD1-CE 4.14Å; Y133-M303 HydrophobicContact CE1-CE 3.25Å; Y133-M303 WeakPolarHBondContact OH-CE 3.37Å; I137-M303 HydrophobicContact CD1-CE 3.66Å; I137-M303 HydrophobicContact CD1-CG 4.4Å; I137-M303 HydrophobicContact CD1-SD 4.26Å; V225-M303 HydrophobicContact CG1-SD 3.77Å; V225-M303 HydrophobicContact CG2-CE 4.07Å; V225-M303 HydrophobicContact CG2-SD 4.32Å; M248-M303 HydrophobicContact CB-CG 4.44Å; M248-M303 HydrophobicContact CG-CG 3.39Å; M248-M303 HydrophobicContact CG-SD 4.3Å; M248-M303 HydrophobicContact SD-CG 4.47Å; F251-M303 HydrophobicContact CB-CB 3.76Å; F251-M303 HydrophobicContact CB-CG 4.3Å; F252-M303 HydrophobicContact CB-SD 3.76Å; F252-M303 HydrophobicContact CD2-SD 3.9Å; F252-M303 HydrophobicContact CG-SD 4.24Å; D299-M303 WeakPolarHBondContact O-CB 3.48Å; D299-M303 PolarHBondContact O-N 3.39Å; E300-M303 HydrophobicContact CG-CE 4.2Å; E300-M303 VanDerWaalsContact O-CB 3.25Å; E300-M303 WeakPolarHBondContact O-CB 3.42Å; E300-M303 PolarHBondContact O-N 3.07Å; L301-M303 VanDerWaalsContact C-N 3.28Å; L301-M303 PolarHBondContact O-N 3.42Å; M303-A306 PolarHBondContact O-N 3.15Å; M303-E307 PolarHBondContact O-N 2.87Å
304I95Very high92.5Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-63.1-45.4178.6-65.4163.9000110M83 Y86 A132 Y133 Y136 I137 E300 L301 A306 E307 V308M83-I304 HydrophobicContact SD-CG2 3.76Å; Y86-I304 HydrophobicContact CD1-CD1 4.44Å; Y86-I304 HydrophobicContact CD2-CD1 3.98Å; Y86-I304 HydrophobicContact CE1-CD1 4.22Å; Y86-I304 HydrophobicContact CE2-CD1 3.71Å; Y86-I304 HydrophobicContact CG-CD1 4.32Å; A132-I304 HydrophobicContact CB-CD1 3.86Å; A132-I304 HydrophobicContact CB-CG1 4.45Å; A132-I304 HydrophobicContact CB-CG2 4.36Å; Y133-I304 HydrophobicContact CD1-CD1 4.28Å; Y133-I304 HydrophobicContact CD1-CG1 4.13Å; Y133-I304 HydrophobicContact CE1-CD1 3.91Å; Y133-I304 HydrophobicContact CE1-CG1 3.92Å; Y136-I304 HydrophobicContact CD2-CG2 3.77Å; Y136-I304 HydrophobicContact CE2-CG2 4.39Å; I137-I304 HydrophobicContact CD1-CG1 4.31Å; E300-I304 HydrophobicContact CG-CD1 4Å; E300-I304 WeakPolarHBondContact O-CG1 3.3Å; E300-I304 PolarHBondContact O-N 3.44Å; L301-I304 PolarHBondContact O-N 2.92Å; I304-A306 VanDerWaalsContact C-N 3.32Å; I304-A306 PolarHBondContact O-N 3.28Å; I304-E307 PolarHBondContact O-N 3.45Å; I304-V308 HydrophobicContact CG2-CG2 4.16Å; I304-V308 WeakPolarHBondContact O-CG2 3.18Å; I304-V308 PolarHBondContact O-N 3.48Å
305Q93.2Very high90.8Very high4 Ų422.1 Ų22.12%0.01911%0.113CC..Hα-helixtrans-61.2-37.8178.4-74.3-176.4-27.100113Y62 M83 L301 H302 E307 V308 R309Y62-Q305 PolarHBondContact O-NE2 2.84Å; M83-Q305 HydrophobicContact CE-CG 4.36Å; L301-Q305 HydrophobicContact CD1-CG 3.95Å; L301-Q305 HydrophobicContact CG-CG 4.37Å; L301-Q305 WeakPolarHBondContact O-CB 3.47Å; L301-Q305 WeakPolarHBondContact O-CG 3.48Å; L301-Q305 PolarHBondContact O-N 3Å; H302-Q305 PolarHBondContact O-N 3.23Å; Q305-E307 VanDerWaalsContact C-N 3.34Å; Q305-V308 PolarHBondContact O-N 3.29Å; Q305-R309 WeakPolarHBondContact O-CB 3Å; Q305-R309 VanDerWaalsContact O-CG 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.42Å; Q305-R309 PolarHBondContact O-N 2.95Å
306A92.4Very high88.9Confident5 Ų522.8 Ų22.84%0.04112%0.117CC..Hα-helixtrans-61.9-41.6176.400000111.8H302 M303 I304 A310H302-A306 WeakPolarHBondContact O-CB 3.32Å; H302-A306 PolarHBondContact O-N 3.48Å; M303-A306 PolarHBondContact O-N 3.15Å; I304-A306 VanDerWaalsContact C-N 3.32Å; I304-A306 PolarHBondContact O-N 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.42Å; A306-A310 PolarHBondContact O-N 3.41Å
307E91.3Very high86.8Confident0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-74.3-39.1176.7-71-62.3128.700112.4I137 R228 S245 M248 M303 I304 Q305 R309 A310 I311I137-E307 HydrophobicContact CG1-CB 4.34Å; I137-E307 HydrophobicContact CG1-CG 4.16Å; R228-E307 IonicContact CZ-OE2 3.78Å; R228-E307 IonicContact NE-OE2 3.03Å; R228-E307 IonicContact NH2-OE2 3.35Å; R228-E307 PolarHBondContact NH2-OE2 3.43Å; S245-E307 WeakPolarHBondContact CA-OE1 3.48Å; S245-E307 WeakPolarHBondContact CB-OE1 3.34Å; S245-E307 PolarHBondContact OG-OE1 3.27Å; M248-E307 HydrophobicContact CB-CG 4.4Å; M248-E307 HydrophobicContact CG-CG 3.91Å; M248-E307 HydrophobicContact SD-CG 4.19Å; M303-E307 PolarHBondContact O-N 2.87Å; I304-E307 PolarHBondContact O-N 3.45Å; Q305-E307 VanDerWaalsContact C-N 3.34Å; E307-R309 VanDerWaalsContact C-N 3.29Å; E307-R309 PolarHBondContact O-N 3.44Å; E307-A310 WeakPolarHBondContact O-CB 3.12Å; E307-A310 PolarHBondContact O-N 3.28Å; E307-A310 VanDerWaalsContact O-N 3.08Å; E307-I311 WeakPolarHBondContact O-CG1 3.38Å; E307-I311 PolarHBondContact O-N 2.76Å
308V90.1Very high84.5Confident0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-56.6-45.4172169.80000110.5M66 F79 F80 Y136 I304 Q305 A310 I311 L312M66-V308 HydrophobicContact SD-CG1 4.26Å; F79-V308 HydrophobicContact CE1-CG1 3.96Å; F79-V308 HydrophobicContact CZ-CG1 4.11Å; F80-V308 HydrophobicContact CE1-CG1 4.39Å; Y136-V308 HydrophobicContact CD1-CG2 3.73Å; Y136-V308 HydrophobicContact CD2-CG2 3.78Å; Y136-V308 HydrophobicContact CE1-CG2 4.02Å; Y136-V308 HydrophobicContact CE2-CG2 4.05Å; Y136-V308 HydrophobicContact CG-CG2 3.61Å; I304-V308 HydrophobicContact CG2-CG2 4.16Å; I304-V308 WeakPolarHBondContact O-CG2 3.18Å; I304-V308 PolarHBondContact O-N 3.48Å; Q305-V308 PolarHBondContact O-N 3.29Å; V308-A310 PolarHBondContact O-N 2.94Å; V308-I311 PolarHBondContact O-N 3.07Å; V308-L312 HydrophobicContact CG1-CD1 4.13Å; V308-L312 WeakPolarHBondContact O-CG 3.35Å; V308-L312 PolarHBondContact O-N 3.31Å
309R88.8Confident81.9Confident91 Ų9138.4 Ų38.434%0.34320%0.195SC..Hα-helixtrans-57.9-47.5172.6-77.7177.2178.7159.72.9111.8W69 A244 Q305 E307 I311 L312 L313W69-R309 HydrophobicContact CD2-CG 4.47Å; W69-R309 VanDerWaalsContact CE2-NH2 3.35Å; W69-R309 HydrophobicContact CE3-CG 3.73Å; W69-R309 HydrophobicContact CH2-CG 3.19Å; W69-R309 HydrophobicContact CZ2-CG 4Å; W69-R309 HydrophobicContact CZ3-CB 4.16Å; W69-R309 HydrophobicContact CZ3-CG 3.02Å; A244-R309 HydrophobicContact CB-CB 4.07Å; Q305-R309 WeakPolarHBondContact O-CB 3Å; Q305-R309 VanDerWaalsContact O-CG 3.31Å; Q305-R309 WeakPolarHBondContact O-CG 3.42Å; Q305-R309 PolarHBondContact O-N 2.95Å; E307-R309 VanDerWaalsContact C-N 3.29Å; E307-R309 PolarHBondContact O-N 3.44Å; R309-I311 VanDerWaalsContact C-N 3.26Å; R309-I311 PolarHBondContact O-N 2.96Å; R309-L312 PolarHBondContact O-N 2.92Å; R309-L313 WeakPolarHBondContact O-CB 3.46Å; R309-L313 VanDerWaalsContact O-CG 3.24Å; R309-L313 WeakPolarHBondContact O-CG 3.47Å; R309-L313 PolarHBondContact O-N 2.89Å
310A88.3Confident79.2Confident0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-60.6-38.5-177.800000112Y235 S241 A244 A306 E307 V308 N314Y235-A310 HydrophobicContact CD2-CB 4.3Å; Y235-A310 HydrophobicContact CE2-CB 3.56Å; S241-A310 WeakPolarHBondContact CB-O 3.11Å; S241-A310 VanDerWaalsContact O-CB 3.28Å; S241-A310 WeakPolarHBondContact O-CB 3.4Å; S241-A310 PolarHBondContact OG-O 3.13Å; A244-A310 HydrophobicContact CB-CB 4.12Å; A306-A310 WeakPolarHBondContact O-CB 3.42Å; A306-A310 PolarHBondContact O-N 3.41Å; E307-A310 WeakPolarHBondContact O-CB 3.12Å; E307-A310 PolarHBondContact O-N 3.28Å; E307-A310 VanDerWaalsContact O-N 3.08Å; V308-A310 PolarHBondContact O-N 2.94Å; A310-N314 PolarHBondContact O-N 3.14Å
311I85.6Confident76.7Confident4 Ų448.5 Ų48.52%0.02126%0.261CS..Hα-helixtrans-66.5-48.7175.9-65.3164.7000110.9F79 Y136 A141 Y235 E307 V308 R309 L313 N314 F317F79-I311 HydrophobicContact CE2-CG2 3.99Å; F79-I311 HydrophobicContact CZ-CG2 4.28Å; Y136-I311 HydrophobicContact CD1-CD1 4.26Å; A141-I311 HydrophobicContact CB-CD1 3.97Å; Y235-I311 WeakPolarHBondContact OH-CG1 3.47Å; E307-I311 WeakPolarHBondContact O-CG1 3.38Å; E307-I311 PolarHBondContact O-N 2.76Å; V308-I311 PolarHBondContact O-N 3.07Å; R309-I311 VanDerWaalsContact C-N 3.26Å; R309-I311 PolarHBondContact O-N 2.96Å; I311-L313 VanDerWaalsContact C-N 3.27Å; I311-L313 PolarHBondContact O-N 2.63Å; I311-N314 VanDerWaalsContact O-CB 3.24Å; I311-N314 WeakPolarHBondContact O-CB 3.08Å; I311-N314 PolarHBondContact O-N 2.75Å; I311-N314 VanDerWaalsContact O-N 3.07Å; I311-F317 HydrophobicContact CG2-CD2 4.21Å; I311-F317 HydrophobicContact CG2-CE2 3.88Å; I311-F317 HydrophobicContact CG2-CZ 4.33Å
312L83.6Confident74.1Confident31 Ų3155.3 Ų55.316%0.16230%0.303CS..Hα-helixtrans-65.1-31-179-69177.1000112.9W69 P73 F79 V308 R309 N314W69-L312 HydrophobicContact CE3-CD1 4.4Å; W69-L312 HydrophobicContact CZ3-CD1 4.45Å; P73-L312 HydrophobicContact CG-CD2 4.04Å; F79-L312 HydrophobicContact CE1-CD1 4.4Å; F79-L312 HydrophobicContact CE1-CD2 3.91Å; F79-L312 HydrophobicContact CE1-CG 4.21Å; F79-L312 HydrophobicContact CZ-CD2 4.08Å; F79-L312 HydrophobicContact CZ-CG 4.26Å; V308-L312 HydrophobicContact CG1-CD1 4.13Å; V308-L312 WeakPolarHBondContact O-CG 3.35Å; V308-L312 PolarHBondContact O-N 3.31Å; R309-L312 PolarHBondContact O-N 2.92Å; L312-N314 PolarHBondContact O-N 3.02Å
313L84.3Confident71.7Confident85 Ų8555.6 Ų55.645%0.44531%0.313SS..THydrogen-bonded Turntrans-78.9-4175.9-69.3169.1000113.4P240 S241 A244 R309 I311 P315P240-L313 HydrophobicContact CB-CD1 4.32Å; P240-L313 HydrophobicContact CG-CB 4.41Å; S241-L313 VanDerWaalsContact OG-C 3.3Å; S241-L313 PolarHBondContact OG-O 3.16Å; A244-L313 HydrophobicContact CB-CD1 4.42Å; R309-L313 WeakPolarHBondContact O-CB 3.46Å; R309-L313 VanDerWaalsContact O-CG 3.24Å; R309-L313 WeakPolarHBondContact O-CG 3.47Å; R309-L313 PolarHBondContact O-N 2.89Å; I311-L313 VanDerWaalsContact C-N 3.27Å; I311-L313 PolarHBondContact O-N 2.63Å; L313-P315 WeakPolarHBondContact O-CD 3.41Å
314N77.6Confident69.2Low17 Ų1763.2 Ų63.29%0.09135%0.352CS..  trans-71.2120-178.2-170.1-20000110.1G142 S241 A310 I311 L312 D316 F317G142-N314 PolarHBondContact O-ND2 2.84Å; S241-N314 WeakPolarHBondContact OG-CA 3.29Å; S241-N314 PolarHBondContact OG-N 3.21Å; A310-N314 PolarHBondContact O-N 3.14Å; I311-N314 VanDerWaalsContact O-CB 3.24Å; I311-N314 WeakPolarHBondContact O-CB 3.08Å; I311-N314 PolarHBondContact O-N 2.75Å; I311-N314 VanDerWaalsContact O-N 3.07Å; L312-N314 PolarHBondContact O-N 3.02Å; N314-D316 PolarHBondContact O-N 2.68Å; N314-D316 VanDerWaalsContact O-N 3.13Å; N314-D316 PolarHBondContact OD1-N 2.72Å; N314-D316 VanDerWaalsContact OD1-N 3.14Å; N314-F317 WeakPolarHBondContact O-CB 3.39Å; N314-F317 PolarHBondContact O-N 3.37Å
315P61.4Low66.9Low72 Ų7267 Ų6747%0.46838%0.379SS..G310 helixtrans-58.1-26.6-179.221.7-33.8000114.3L313 F317 L318L313-P315 WeakPolarHBondContact O-CD 3.41Å; P315-F317 VanDerWaalsContact C-N 3.27Å; P315-F317 PolarHBondContact O-N 2.98Å; P315-L318 PolarHBondContact O-N 3.23Å
316D58.3Low64.8Low71 Ų7173.4 Ų73.438%0.3840%0.403SS..G310 helixtrans-72.8-18.8177.9-66.8-32.9000113V144 N314 L318V144-D316 HydrophobicContact CB-CB 4.38Å; V144-D316 HydrophobicContact CG2-CB 4.06Å; N314-D316 PolarHBondContact O-N 2.68Å; N314-D316 VanDerWaalsContact O-N 3.13Å; N314-D316 PolarHBondContact OD1-N 2.72Å; N314-D316 VanDerWaalsContact OD1-N 3.14Å; D316-L318 VanDerWaalsContact C-N 3.29Å
317F53.8Low62.9Low106 Ų10674.3 Ų74.347%0.46541%0.407SS..G310 helixtrans-76.5-17174.7-129.5-91.5000112.5I311 N314 P315I311-F317 HydrophobicContact CG2-CD2 4.21Å; I311-F317 HydrophobicContact CG2-CE2 3.88Å; I311-F317 HydrophobicContact CG2-CZ 4.33Å; N314-F317 WeakPolarHBondContact O-CB 3.39Å; N314-F317 PolarHBondContact O-N 3.37Å; P315-F317 VanDerWaalsContact C-N 3.27Å; P315-F317 PolarHBondContact O-N 2.98Å
318L48Very low61.6Low143 Ų14379 Ų7975%0.74944%0.437SS*.G310 helixtrans-95.9-4.5-179.2-65.6170.6000113.3P315 D316P315-L318 PolarHBondContact O-N 3.23Å; D316-L318 VanDerWaalsContact C-N 3.29Å
319L43.4Very low60.8Low116 Ų11680.9 Ų80.961%0.60746%0.456SS*.SBendtrans-91.7143.1175.9-70.8167.4000110.4
320P41.3Very low60.7Low105 Ų10577.4 Ų77.468%0.68245%0.446SS*.  trans-60.1148.6-176.222.8-31.4000112.3T322P320-T322 PolarHBondContact O-N 2.72Å
321P46.4Very low60.8Low127 Ų12780.6 Ų80.683%0.82547%0.465SS*.SBendtrans-78.188.6-164.931.8-34.3000111.2
322T41.6Very low61.1Low146 Ų14685.6 Ų85.690%0.89649%0.491SS*.  trans-101-5.4159.6370000113.1P320P320-T322 PolarHBondContact O-N 2.72Å
323A45.2Very low61.5Low45 Ų4587.5 Ų87.537%0.37251%0.511SS..SBendtrans-116.9119.9-179.400000111V144 S325V144-A323 HydrophobicContact CG1-CB 3.34Å; A323-S325 PolarHBondContact O-N 2.89Å
324L44.5Very low61.8Low160 Ų16085.3 Ų85.384%0.83850%0.503SS*.  trans-63.8119.6176.7-148.897.3000108.8R326L324-R326 PolarHBondContact O-N 3.4Å
325S45.9Very low62.5Low79 Ų7984.5 Ų84.555%0.55250%0.499SS*.  trans-60.7129.9169.856.60000109.4A323 L327A323-S325 PolarHBondContact O-N 2.89Å; S325-L327 PolarHBondContact O-N 3.28Å; S325-L327 VanDerWaalsContact O-N 3.12Å; S325-L327 PolarHBondContact OG-O 3.02Å
326R49.5Very low64.1Low139 Ų13984.6 Ų84.653%0.52549%0.49SS..SBendtrans-61.8-19.3-174.5-90.7-172.3167.4-167.4-2115.4E145 L324E145-R326 HydrophobicContact CG-CG 4.43Å; E145-R326 IonicContact OE1-CZ 2.57Å; E145-R326 IonicContact OE1-NE 2.71Å; E145-R326 PolarHBondContact OE1-NE 3.22Å; E145-R326 IonicContact OE1-NH2 3.36Å; E145-R326 PolarHBondContact OE1-NH2 2.95Å; E145-R326 IonicContact OE2-CZ 3.27Å; E145-R326 IonicContact OE2-NE 3.18Å; E145-R326 PolarHBondContact OE2-NE 3.34Å; E145-R326 IonicContact OE2-NH2 2.72Å; E145-R326 PolarHBondContact OE2-NH2 3.26Å; L324-R326 PolarHBondContact O-N 3.4Å
327L53.1Low65.9Low24 Ų2482.7 Ų82.713%0.12649%0.488CS..SBendtrans-106.4137.2174.8-81.2160.5000109.3Y134 R140 E177 S325 G329Y134-L327 WeakPolarHBondContact OH-CD2 3.31Å; R140-L327 HydrophobicContact CB-CD1 3.83Å; E177-L327 VanDerWaalsContact OE1-CD2 3.25Å; E177-L327 WeakPolarHBondContact OE1-CD2 3.17Å; E177-L327 WeakPolarHBondContact OE2-CD2 3.38Å; S325-L327 PolarHBondContact O-N 3.28Å; S325-L327 VanDerWaalsContact O-N 3.12Å; S325-L327 PolarHBondContact OG-O 3.02Å; L327-G329 PolarHBondContact O-N 3.32Å; L327-G329 VanDerWaalsContact O-N 3.12Å
328P62.6Low67.8Low98 Ų9879.5 Ų79.564%0.63648%0.477SS*.PPolyproline II helixtrans-57123.2166.225.5-30.5000107.1
329G73.3Confident70.2Confident39 Ų3973 Ų7340%0.40244%0.443SS..PPolyproline II helixtrans-55160.1177.700000111.2L327 T331L327-G329 PolarHBondContact O-N 3.32Å; L327-G329 VanDerWaalsContact O-N 3.12Å; G329-T331 WeakPolarHBondContact O-CG2 3.32Å; G329-T331 PolarHBondContact O-N 3.47Å; G329-T331 VanDerWaalsContact O-N 3.15Å
330P87Confident72.7Confident19 Ų1972.9 Ų72.912%0.12344%0.442CS..PPolyproline II helixtrans-52.9125.8174.423.3-34.8000110P78 P82 Y135 T335P78-P330 WeakPolarHBondContact CB-O 3.46Å; P78-P330 WeakPolarHBondContact O-CB 3.46Å; P78-P330 WeakPolarHBondContact O-CG 3.41Å; P82-P330 HydrophobicContact CG-CB 3.81Å; P82-P330 HydrophobicContact CG-CG 4.34Å; Y135-P330 HydrophobicContact CD1-CB 4.15Å; Y135-P330 HydrophobicContact CD1-CG 4.37Å; Y135-P330 HydrophobicContact CE1-CB 3.89Å; Y135-P330 HydrophobicContact CE1-CG 4.44Å; Y135-P330 HydrophobicContact CE2-CB 4.47Å; P330-T335 HydrophobicContact CB-CG2 3.85Å
331T90.4Very high75.4Confident66 Ų6673.9 Ų73.941%0.40544%0.441SS..  trans-112.6164174.267.30000109G329 A333 S334 T335G329-T331 WeakPolarHBondContact O-CG2 3.32Å; G329-T331 PolarHBondContact O-N 3.47Å; G329-T331 VanDerWaalsContact O-N 3.15Å; T331-A333 PolarHBondContact O-N 2.95Å; T331-A333 PolarHBondContact OG1-N 3.3Å; T331-S334 PolarHBondContact N-OG 3.37Å; T331-S334 PolarHBondContact O-N 2.97Å; T331-S334 PolarHBondContact O-OG 3.4Å; T331-S334 WeakPolarHBondContact OG1-CB 3.36Å; T331-S334 PolarHBondContact OG1-N 2.97Å; T331-S334 PolarHBondContact OG1-OG 2.87Å; T331-T335 WeakPolarHBondContact O-CB 3.42Å; T331-T335 PolarHBondContact O-N 3.4Å; T331-T335 VanDerWaalsContact O-N 3.11Å; T331-T335 PolarHBondContact O-OG1 3.36Å
332I91.5Very high77.8Confident109 Ų10968 Ų6856%0.55940%0.403SS*.THydrogen-bonded Turntrans-56.2-41.9173.8-62.1176.2000110.4Y81 Y336 G337Y81-I332 HydrophobicContact CD2-CG1 4.43Å; Y81-I332 HydrophobicContact CE2-CG1 3.59Å; I332-Y336 HydrophobicContact CG2-CD2 4.3Å; I332-Y336 PolarHBondContact O-N 3.29Å; I332-G337 PolarHBondContact O-N 3.15Å
333A92.6Very high80.4Confident72 Ų7264.9 Ų64.960%0.59538%0.378SS*.Iπ-helixtrans-68-46-179.900000112.6T331 T335 G337 V338T331-A333 PolarHBondContact O-N 2.95Å; T331-A333 PolarHBondContact OG1-N 3.3Å; A333-T335 PolarHBondContact O-N 3.39Å; A333-G337 VanDerWaalsContact O-CA 3.27Å; A333-G337 WeakPolarHBondContact O-CA 3.38Å; A333-G337 PolarHBondContact O-N 3Å; A333-V338 PolarHBondContact O-N 3.37Å
334S89.9Confident82.9Confident38 Ų3866.4 Ų66.427%0.26638%0.383SS..Iπ-helixtrans-76-7.6-177.265.30000114.4Y135 T331Y135-S334 WeakPolarHBondContact OH-CB 2.96Å; Y135-S334 PolarHBondContact OH-OG 3.42Å; T331-S334 PolarHBondContact N-OG 3.37Å; T331-S334 PolarHBondContact O-N 2.97Å; T331-S334 PolarHBondContact O-OG 3.4Å; T331-S334 WeakPolarHBondContact OG1-CB 3.36Å; T331-S334 PolarHBondContact OG1-N 2.97Å; T331-S334 PolarHBondContact OG1-OG 2.87Å
335T92.8Very high85.5Confident0 Ų061.2 Ų61.20%036%0.358CS..Iπ-helixtrans-116.9-79.917757.40000110.7P82 Y135 P330 T331 A333 G337 V338 M339P82-T335 HydrophobicContact CG-CG2 4.02Å; Y135-T335 HydrophobicContact CE2-CG2 3.98Å; P330-T335 HydrophobicContact CB-CG2 3.85Å; T331-T335 WeakPolarHBondContact O-CB 3.42Å; T331-T335 PolarHBondContact O-N 3.4Å; T331-T335 VanDerWaalsContact O-N 3.11Å; T331-T335 PolarHBondContact O-OG1 3.36Å; A333-T335 PolarHBondContact O-N 3.39Å; T335-G337 VanDerWaalsContact C-N 3.33Å; T335-G337 PolarHBondContact O-N 2.92Å; T335-V338 PolarHBondContact O-N 3.12Å; T335-M339 PolarHBondContact O-N 3.07Å; T335-M339 VanDerWaalsContact O-N 3.15Å
336Y95.9Very high87.9Confident74 Ų7457.9 Ų57.929%0.2933%0.333SS..Iπ-helixtrans-64-34.3-179-60.3-67.5000113.1Y81 W84 N85 I332 M339 L340Y81-Y336 AromaticContact CD1-CE2 3.73Å; Y81-Y336 HydrophobicContact CD1-CE2 3.73Å; Y81-Y336 HydrophobicContact CD2-CD2 4.48Å; Y81-Y336 HydrophobicContact CD2-CE2 4.04Å; Y81-Y336 HydrophobicContact CE1-CE2 4.24Å; Y81-Y336 HydrophobicContact CG-CD2 4.42Å; Y81-Y336 AromaticContact CG-CE2 3.6Å; Y81-Y336 HydrophobicContact CG-CE2 3.6Å; W84-Y336 WeakPolarHBondContact CB-OH 3.5Å; N85-Y336 VanDerWaalsContact ND2-CD1 3.29Å; N85-Y336 WeakPolarHBondContact ND2-CD1 3.49Å; N85-Y336 WeakPolarHBondContact ND2-CE1 3.45Å; N85-Y336 WeakPolarHBondContact OD1-CD1 3.27Å; I332-Y336 HydrophobicContact CG2-CD2 4.3Å; I332-Y336 PolarHBondContact O-N 3.29Å; Y336-M339 PolarHBondContact O-N 2.89Å; Y336-L340 VanDerWaalsContact O-CB 3.29Å; Y336-L340 WeakPolarHBondContact O-CB 3.43Å; Y336-L340 PolarHBondContact O-N 2.92Å
337G95.4Very high90.3Very high32 Ų3255.7 Ų55.733%0.3334%0.335SS..Iπ-helixtrans-62.9-44.6176.600000112.8I332 A333 T335 L340 L341I332-G337 PolarHBondContact O-N 3.15Å; A333-G337 VanDerWaalsContact O-CA 3.27Å; A333-G337 WeakPolarHBondContact O-CA 3.38Å; A333-G337 PolarHBondContact O-N 3Å; T335-G337 VanDerWaalsContact C-N 3.33Å; T335-G337 PolarHBondContact O-N 2.92Å; G337-L340 PolarHBondContact O-N 2.97Å; G337-L341 PolarHBondContact O-N 3.5Å; G337-L341 VanDerWaalsContact O-N 3.14Å
338V94.4Very high92.4Very high39 Ų3958 Ų5824%0.23635%0.353CS..Hα-helixtrans-61.6-45.5174.8176.90000110.7M181 A333 T335 L341 L342M181-V338 HydrophobicContact CE-CG1 4.25Å; A333-V338 PolarHBondContact O-N 3.37Å; T335-V338 PolarHBondContact O-N 3.12Å; V338-L341 PolarHBondContact O-N 3.4Å; V338-L342 PolarHBondContact O-N 3.39Å; V338-L342 VanDerWaalsContact O-N 3.08Å
339M96.9Very high94.1Very high6 Ų654.4 Ų54.43%0.0333%0.328CS..Hα-helixtrans-66-38.7179.6-71-60.7-66.500112.6N85 A124 V127 L131 T335 Y336 L342 Q343N85-M339 HydrophobicContact CB-CG 4.42Å; N85-M339 VanDerWaalsContact OD1-CG 3.3Å; N85-M339 WeakPolarHBondContact OD1-CG 3.49Å; A124-M339 HydrophobicContact CB-CE 4.44Å; A124-M339 WeakPolarHBondContact O-CE 3.39Å; V127-M339 HydrophobicContact CB-SD 4.05Å; V127-M339 HydrophobicContact CG1-SD 3.79Å; L131-M339 HydrophobicContact CD1-CG 3.7Å; L131-M339 HydrophobicContact CD1-SD 3.97Å; T335-M339 PolarHBondContact O-N 3.07Å; T335-M339 VanDerWaalsContact O-N 3.15Å; Y336-M339 PolarHBondContact O-N 2.89Å; M339-L342 PolarHBondContact O-N 3.42Å; M339-L342 HydrophobicContact SD-CD2 4.33Å; M339-Q343 VanDerWaalsContact O-CB 3.29Å; M339-Q343 WeakPolarHBondContact O-CB 3.38Å; M339-Q343 WeakPolarHBondContact O-CG 3.42Å; M339-Q343 PolarHBondContact O-N 3.26Å
340L97.3Very high95.2Very high113 Ų11353.4 Ų53.459%0.59231%0.314SS*.Hα-helixtrans-62.8-44.6176.8179.664000111.7Y336 G337 Q343 T344Y336-L340 VanDerWaalsContact O-CB 3.29Å; Y336-L340 WeakPolarHBondContact O-CB 3.43Å; Y336-L340 PolarHBondContact O-N 2.92Å; G337-L340 PolarHBondContact O-N 2.97Å; L340-Q343 PolarHBondContact O-N 2.93Å; L340-T344 WeakPolarHBondContact O-CB 3.19Å; L340-T344 PolarHBondContact O-N 3.49Å; L340-T344 PolarHBondContact O-OG1 3.01Å
341L96.5Very high95.8Very high126 Ų12655.1 Ų55.166%0.6633%0.329SS*.Hα-helixtrans-59.7-51176.2-176.875.7000110.5G337 V338 Q343 T344 T345G337-L341 PolarHBondContact O-N 3.5Å; G337-L341 VanDerWaalsContact O-N 3.14Å; V338-L341 PolarHBondContact O-N 3.4Å; L341-Q343 PolarHBondContact O-N 3.17Å; L341-T344 PolarHBondContact O-N 2.65Å; L341-T345 PolarHBondContact O-N 3.41Å; L341-T345 PolarHBondContact O-OG1 2.73Å
342L97.4Very high96.1Very high5 Ų556.1 Ų56.13%0.02634%0.338CS..Hα-helixtrans-58.8-48.8178.9176.769.6000111.8V127 C185 A188 I189 V338 M339 T344 T345 I346V127-L342 HydrophobicContact CB-CD2 3.56Å; V127-L342 HydrophobicContact CG1-CD2 3.91Å; V127-L342 HydrophobicContact CG2-CD2 3.41Å; V127-L342 VanDerWaalsContact CG2-CD2 3.41Å; C185-L342 HydrophobicContact CB-CD1 4.28Å; A188-L342 HydrophobicContact CB-CD1 4.14Å; I189-L342 HydrophobicContact CG1-CD1 4.22Å; V338-L342 PolarHBondContact O-N 3.39Å; V338-L342 VanDerWaalsContact O-N 3.08Å; M339-L342 PolarHBondContact O-N 3.42Å; M339-L342 HydrophobicContact SD-CD2 4.33Å; L342-T344 VanDerWaalsContact C-N 3.31Å; L342-T344 PolarHBondContact O-N 3.4Å; L342-T345 WeakPolarHBondContact O-CB 3.43Å; L342-T345 PolarHBondContact O-N 2.87Å; L342-T345 VanDerWaalsContact O-N 3.15Å; L342-I346 HydrophobicContact CD1-CD1 4.03Å; L342-I346 HydrophobicContact CD1-CG1 4.31Å; L342-I346 HydrophobicContact CD2-CD1 4.31Å; L342-I346 HydrophobicContact CG-CD1 3.81Å; L342-I346 HydrophobicContact CG-CG1 4.39Å; L342-I346 WeakPolarHBondContact O-CG1 3.19Å; L342-I346 PolarHBondContact O-N 3.33Å
343Q96.8Very high96.3Very high80 Ų8052.1 Ų52.137%0.37432%0.317SS..Hα-helixtrans-62-40.2-179.9-75.8176.72.300111.3M339 L340 L341 T345 I346 V347M339-Q343 VanDerWaalsContact O-CB 3.29Å; M339-Q343 WeakPolarHBondContact O-CB 3.38Å; M339-Q343 WeakPolarHBondContact O-CG 3.42Å; M339-Q343 PolarHBondContact O-N 3.26Å; L340-Q343 PolarHBondContact O-N 2.93Å; L341-Q343 PolarHBondContact O-N 3.17Å; Q343-T345 VanDerWaalsContact C-N 3.31Å; Q343-T345 PolarHBondContact O-N 2.88Å; Q343-I346 PolarHBondContact O-N 2.8Å; Q343-V347 WeakPolarHBondContact O-CB 3.4Å; Q343-V347 VanDerWaalsContact O-CG2 3.25Å; Q343-V347 WeakPolarHBondContact O-CG2 3.39Å; Q343-V347 PolarHBondContact O-N 2.94Å
344T97.8Very high96.5Very high77 Ų7749.6 Ų49.647%0.47230%0.295SS..Hα-helixtrans-60.5-42.3175.1-56.80000111.2L340 L341 L342 S348L340-T344 WeakPolarHBondContact O-CB 3.19Å; L340-T344 PolarHBondContact O-N 3.49Å; L340-T344 PolarHBondContact O-OG1 3.01Å; L341-T344 PolarHBondContact O-N 2.65Å; L342-T344 VanDerWaalsContact C-N 3.31Å; L342-T344 PolarHBondContact O-N 3.4Å; T344-S348 WeakPolarHBondContact O-CB 3.48Å; T344-S348 PolarHBondContact O-N 3.47Å; T344-S348 PolarHBondContact O-OG 3.36Å
345T98.1Very high96.8Very high51 Ų5156.6 Ų56.631%0.31332%0.316SS..Hα-helixtrans-64.1-47.2174.2-54.60000111.9I189 L341 L342 Q343 V347 S348 I349I189-T345 HydrophobicContact CD1-CG2 3.93Å; I189-T345 HydrophobicContact CG1-CG2 4.14Å; L341-T345 PolarHBondContact O-N 3.41Å; L341-T345 PolarHBondContact O-OG1 2.73Å; L342-T345 WeakPolarHBondContact O-CB 3.43Å; L342-T345 PolarHBondContact O-N 2.87Å; L342-T345 VanDerWaalsContact O-N 3.15Å; Q343-T345 VanDerWaalsContact C-N 3.31Å; Q343-T345 PolarHBondContact O-N 2.88Å; T345-V347 PolarHBondContact O-N 3.2Å; T345-S348 WeakPolarHBondContact O-CB 3.24Å; T345-S348 PolarHBondContact O-N 3.34Å; T345-I349 HydrophobicContact CG2-CD1 4.09Å; T345-I349 WeakPolarHBondContact O-CG1 3.25Å; T345-I349 PolarHBondContact O-N 3.19Å
346I98.1Very high96.9Very high8 Ų860.5 Ų60.54%0.04133%0.334CS..Hα-helixtrans-61-45.6179-70.1175.3000111A124 V192 L342 Q343 S348 I349 I350A124-I346 HydrophobicContact CB-CD1 4.31Å; V192-I346 HydrophobicContact CG2-CD1 4.26Å; V192-I346 HydrophobicContact CG2-CG1 4.12Å; V192-I346 HydrophobicContact CG2-CG2 4.33Å; L342-I346 HydrophobicContact CD1-CD1 4.03Å; L342-I346 HydrophobicContact CD1-CG1 4.31Å; L342-I346 HydrophobicContact CD2-CD1 4.31Å; L342-I346 HydrophobicContact CG-CD1 3.81Å; L342-I346 HydrophobicContact CG-CG1 4.39Å; L342-I346 WeakPolarHBondContact O-CG1 3.19Å; L342-I346 PolarHBondContact O-N 3.33Å; Q343-I346 PolarHBondContact O-N 2.8Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.12Å; I346-I349 WeakPolarHBondContact O-CB 3.47Å; I346-I349 PolarHBondContact O-N 2.96Å; I346-I350 HydrophobicContact CG2-CD1 3.65Å; I346-I350 HydrophobicContact CG2-CG1 4.38Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.26Å; I346-I350 PolarHBondContact O-N 2.96Å
347V97.9Very high96.7Very high94 Ų9457 Ų5757%0.5732%0.32SS*.Hα-helixtrans-61.6-41.1177169.20000110.8Q343 T345 I349 I350 A351Q343-V347 WeakPolarHBondContact O-CB 3.4Å; Q343-V347 VanDerWaalsContact O-CG2 3.25Å; Q343-V347 WeakPolarHBondContact O-CG2 3.39Å; Q343-V347 PolarHBondContact O-N 2.94Å; T345-V347 PolarHBondContact O-N 3.2Å; V347-I349 PolarHBondContact O-N 3.03Å; V347-I350 PolarHBondContact O-N 3.03Å; V347-A351 VanDerWaalsContact O-CB 3.28Å; V347-A351 WeakPolarHBondContact O-CB 3.4Å; V347-A351 PolarHBondContact O-N 3Å
348S98.1Very high96.6Very high71 Ų7159 Ų5950%0.49732%0.323SS..Hα-helixtrans-62.8-41.9176.6-58.70000112T344 T345 I346 A351 C352T344-S348 WeakPolarHBondContact O-CB 3.48Å; T344-S348 PolarHBondContact O-N 3.47Å; T344-S348 PolarHBondContact O-OG 3.36Å; T345-S348 WeakPolarHBondContact O-CB 3.24Å; T345-S348 PolarHBondContact O-N 3.34Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.12Å; S348-A351 PolarHBondContact O-N 3.09Å; S348-C352 PolarHBondContact O-N 3.27Å; S348-C352 VanDerWaalsContact O-N 3.08Å
349I98Very high96.5Very high23 Ų2361 Ų6112%0.11834%0.338CS..Hα-helixtrans-61.4-52.3174-67.3164.2000109.7I189 V192 L193 T345 I346 V347 A351 C352 F353I189-I349 HydrophobicContact CG2-CD1 4.01Å; V192-I349 HydrophobicContact CG1-CG2 3.9Å; L193-I349 HydrophobicContact CD2-CD1 4.15Å; L193-I349 HydrophobicContact CD2-CG1 4.22Å; L193-I349 HydrophobicContact CD2-CG2 3.71Å; L193-I349 HydrophobicContact CG-CD1 4.19Å; L193-I349 HydrophobicContact CG-CG2 4.47Å; T345-I349 HydrophobicContact CG2-CD1 4.09Å; T345-I349 WeakPolarHBondContact O-CG1 3.25Å; T345-I349 PolarHBondContact O-N 3.19Å; I346-I349 WeakPolarHBondContact O-CB 3.47Å; I346-I349 PolarHBondContact O-N 2.96Å; V347-I349 PolarHBondContact O-N 3.03Å; I349-A351 VanDerWaalsContact C-N 3.31Å; I349-A351 PolarHBondContact O-N 3.19Å; I349-C352 WeakPolarHBondContact O-CB 3.29Å; I349-C352 PolarHBondContact O-N 3.38Å; I349-F353 HydrophobicContact CG2-CD2 3.77Å; I349-F353 HydrophobicContact CG2-CE2 3.92Å; I349-F353 WeakPolarHBondContact O-CD2 3.47Å; I349-F353 PolarHBondContact O-N 3.27Å
350I97.6Very high96.2Very high18 Ų1864.4 Ų64.49%0.09236%0.355CS..Hα-helixtrans-58.7-43.2-179.8-68.6165.3000110.9F116 V117 I346 V347 C352 F353 S354F116-I350 HydrophobicContact CB-CG1 4.24Å; F116-I350 HydrophobicContact CB-CG2 3.95Å; V117-I350 HydrophobicContact CG2-CG2 4.16Å; I346-I350 HydrophobicContact CG2-CD1 3.65Å; I346-I350 HydrophobicContact CG2-CG1 4.38Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.26Å; I346-I350 PolarHBondContact O-N 2.96Å; V347-I350 PolarHBondContact O-N 3.03Å; I350-C352 VanDerWaalsContact C-N 3.34Å; I350-C352 PolarHBondContact O-N 2.9Å; I350-F353 PolarHBondContact O-N 2.9Å; I350-S354 WeakPolarHBondContact O-CB 3.22Å; I350-S354 PolarHBondContact O-N 3.49Å; I350-S354 PolarHBondContact O-OG 3.05Å
351A97.7Very high95.7Very high55 Ų5562.4 Ų62.446%0.45534%0.341SS..Hα-helixtrans-60.4-43.9178.500000111.5V347 S348 I349 S354 W355V347-A351 VanDerWaalsContact O-CB 3.28Å; V347-A351 WeakPolarHBondContact O-CB 3.4Å; V347-A351 PolarHBondContact O-N 3Å; S348-A351 PolarHBondContact O-N 3.09Å; I349-A351 VanDerWaalsContact C-N 3.31Å; I349-A351 PolarHBondContact O-N 3.19Å; A351-S354 PolarHBondContact O-N 3.28Å; A351-W355 WeakPolarHBondContact O-CB 3.25Å; A351-W355 PolarHBondContact O-N 3.36Å
352C97.4Very high94.9Very high87 Ų8757.1 Ų57.159%0.58832%0.317SS*.Hα-helixtrans-61.4-48.2175.6-177.90000112.1S348 I349 I350 S354 W355 H356S348-C352 PolarHBondContact O-N 3.27Å; S348-C352 VanDerWaalsContact O-N 3.08Å; I349-C352 WeakPolarHBondContact O-CB 3.29Å; I349-C352 PolarHBondContact O-N 3.38Å; I350-C352 VanDerWaalsContact C-N 3.34Å; I350-C352 PolarHBondContact O-N 2.9Å; C352-S354 VanDerWaalsContact C-N 3.32Å; C352-S354 PolarHBondContact O-N 3.47Å; C352-W355 PolarHBondContact O-N 2.72Å; C352-H356 PolarHBondContact O-N 2.57Å; C352-H356 VanDerWaalsContact O-N 3.1Å
353F96.9Very high93.9Very high26 Ų2663.2 Ų63.211%0.11436%0.357CS..Hα-helixtrans-65.3-35.6177.3-86.1-88.2000112.7F116 L193 C196 Q200 I349 I350 H356 A357F116-F353 HydrophobicContact CD2-CB 4.07Å; F116-F353 HydrophobicContact CE1-CB 4.5Å; F116-F353 HydrophobicContact CE2-CB 3.9Å; F116-F353 HydrophobicContact CG-CB 4.47Å; F116-F353 HydrophobicContact CZ-CB 4.14Å; F116-F353 HydrophobicContact CZ-CD1 4.45Å; L193-F353 HydrophobicContact CD2-CE2 4.07Å; C196-F353 HydrophobicContact CB-CB 4.49Å; C196-F353 HydrophobicContact CB-CD1 3.55Å; C196-F353 HydrophobicContact CB-CD2 3.84Å; C196-F353 HydrophobicContact CB-CE1 3.63Å; C196-F353 HydrophobicContact CB-CE2 3.9Å; C196-F353 HydrophobicContact CB-CG 3.69Å; C196-F353 HydrophobicContact CB-CZ 3.8Å; Q200-F353 VanDerWaalsContact CD-CD1 3.48Å; Q200-F353 HydrophobicContact CG-CD1 4.43Å; Q200-F353 PolarHBondContact NE2-O 2.72Å; Q200-F353 VanDerWaalsContact OE1-CE1 3.32Å; I349-F353 HydrophobicContact CG2-CD2 3.77Å; I349-F353 HydrophobicContact CG2-CE2 3.92Å; I349-F353 WeakPolarHBondContact O-CD2 3.47Å; I349-F353 PolarHBondContact O-N 3.27Å; I350-F353 PolarHBondContact O-N 2.9Å; F353-H356 PolarHBondContact O-N 3.36Å; F353-A357 PolarHBondContact O-N 3.31Å
354S95.9Very high91.7Very high19 Ų1971.6 Ų71.613%0.13340%0.396CS..Hα-helixtrans-68.4-42177.3-61.20000111.6I350 A351 C352 H356 A357 N358I350-S354 WeakPolarHBondContact O-CB 3.22Å; I350-S354 PolarHBondContact O-N 3.49Å; I350-S354 PolarHBondContact O-OG 3.05Å; A351-S354 PolarHBondContact O-N 3.28Å; C352-S354 VanDerWaalsContact C-N 3.32Å; C352-S354 PolarHBondContact O-N 3.47Å; S354-H356 VanDerWaalsContact C-N 3.33Å; S354-H356 PolarHBondContact O-N 3.49Å; S354-A357 PolarHBondContact O-N 3.08Å; S354-N358 PolarHBondContact O-N 3.37Å
355W96.3Very high91.4Very high184 Ų18471.4 Ų71.470%0.69739%0.392SS*.Hα-helixtrans-57.2-48.6172.1178.9-96.3000110.9A351 C352 A357 N358 C359A351-W355 WeakPolarHBondContact O-CB 3.25Å; A351-W355 PolarHBondContact O-N 3.36Å; C352-W355 PolarHBondContact O-N 2.72Å; W355-A357 VanDerWaalsContact C-N 3.33Å; W355-A357 PolarHBondContact O-N 3.32Å; W355-N358 WeakPolarHBondContact O-CB 3.17Å; W355-N358 PolarHBondContact O-N 3.42Å; W355-N358 VanDerWaalsContact O-N 3.13Å; W355-C359 PolarHBondContact O-N 2.98Å; W355-C359 PolarHBondContact O-SG 3.45Å; W355-C359 VanDerWaalsContact O-SG 3.35Å
356H94.4Very high91.1Very high82 Ų8272.4 Ų72.438%0.3840%0.396SS..Hα-helixtrans-61.8-40.3177.3-168.258.7000112.5Q200 C352 F353 S354 N358 C359 I360Q200-H356 PolarHBondContact OE1-CD2 3.37Å; C352-H356 PolarHBondContact O-N 2.57Å; C352-H356 VanDerWaalsContact O-N 3.1Å; F353-H356 PolarHBondContact O-N 3.36Å; S354-H356 VanDerWaalsContact C-N 3.33Å; S354-H356 PolarHBondContact O-N 3.49Å; H356-N358 VanDerWaalsContact C-N 3.34Å; H356-N358 PolarHBondContact O-N 3.48Å; H356-C359 PolarHBondContact O-N 2.78Å; H356-I360 WeakPolarHBondContact O-CG1 3.48Å; H356-I360 PolarHBondContact O-N 2.86Å
357A92.3Very high90.7Very high0 Ų076 Ų760%042%0.416CS..Hα-helixtrans-62.7-39.9174.300000112E112 F116 F353 S354 W355 I360 Y361E112-A357 HydrophobicContact CB-CB 3.98Å; E112-A357 HydrophobicContact CG-CB 4.32Å; F116-A357 HydrophobicContact CE2-CB 4.22Å; F353-A357 PolarHBondContact O-N 3.31Å; S354-A357 PolarHBondContact O-N 3.08Å; W355-A357 VanDerWaalsContact C-N 3.33Å; W355-A357 PolarHBondContact O-N 3.32Å; A357-I360 PolarHBondContact O-N 2.71Å; A357-Y361 HydrophobicContact CB-CD2 4.43Å; A357-Y361 WeakPolarHBondContact O-CD2 3.48Å; A357-Y361 PolarHBondContact O-N 3.11Å
358N93.6Very high90.3Very high74 Ų7474.9 Ų74.940%0.39641%0.407SS..Hα-helixtrans-64.4-38.6175.5-17059.1000112.1V109 S354 W355 H356 I360 G362V109-N358 HydrophobicContact CG1-CB 4.35Å; S354-N358 PolarHBondContact O-N 3.37Å; W355-N358 WeakPolarHBondContact O-CB 3.17Å; W355-N358 PolarHBondContact O-N 3.42Å; W355-N358 VanDerWaalsContact O-N 3.13Å; H356-N358 VanDerWaalsContact C-N 3.34Å; H356-N358 PolarHBondContact O-N 3.48Å; N358-I360 PolarHBondContact O-N 3.04Å; N358-G362 WeakPolarHBondContact O-CA 3.5Å; N358-G362 PolarHBondContact O-N 3.02Å
359C92.4Very high89.8Confident82 Ų8275.2 Ų75.255%0.55440%0.401SS*.Hα-helixtrans-63-29.1174.5-64.30000113.3W355 H356W355-C359 PolarHBondContact O-N 2.98Å; W355-C359 PolarHBondContact O-SG 3.45Å; W355-C359 VanDerWaalsContact O-SG 3.35Å; H356-C359 PolarHBondContact O-N 2.78Å
360I88.9Confident89.2Confident77 Ų7778.7 Ų78.740%0.39542%0.42SS..Hα-helixtrans-89.4-39.8-177.9-60164.2000111.9H356 A357 N358H356-I360 WeakPolarHBondContact O-CG1 3.48Å; H356-I360 PolarHBondContact O-N 2.86Å; A357-I360 PolarHBondContact O-N 2.71Å; N358-I360 PolarHBondContact O-N 3.04Å
361Y87.4Confident88.6Confident71 Ų7183 Ų8328%0.27844%0.444SS..Hα-helixtrans-118.9-2.6-169.2-52.8-71.5000114.4R15 L108 A357R15-Y361 WeakPolarHBondContact CD-OH 3.37Å; R15-Y361 VanDerWaalsContact CZ-CZ 3.43Å; R15-Y361 PolarHBondContact NE-OH 3.39Å; R15-Y361 PolarHBondContact NH1-OH 3.38Å; R15-Y361 VanDerWaalsContact NH1-OH 3.12Å; L108-Y361 HydrophobicContact CB-CD1 4.36Å; L108-Y361 HydrophobicContact CB-CG 4.22Å; L108-Y361 HydrophobicContact CD1-CD1 4.07Å; A357-Y361 HydrophobicContact CB-CD2 4.43Å; A357-Y361 WeakPolarHBondContact O-CD2 3.48Å; A357-Y361 PolarHBondContact O-N 3.11Å
362G81Confident87.9Confident16 Ų1685.2 Ų85.217%0.16544%0.443CS..SBendtrans-64.4161.2175.200000111.5N358 Q364N358-G362 WeakPolarHBondContact O-CA 3.5Å; N358-G362 PolarHBondContact O-N 3.02Å; G362-Q364 PolarHBondContact O-N 2.98Å
363P75Confident87.1Confident132 Ų13285 Ų8586%0.85743%0.431SS*.  trans-58.5122.8172.224.2-30.4000109
364Q51.6Low86.3Confident257 Ų25790.4 Ų90.4100%1.20146%0.46SS*.  trans-76.30171.8-71.5-172.1-9.500110.8G362G362-Q364 PolarHBondContact O-N 2.98Å

Retrieved 364 of 364 residues in 256.3 ms (Link to these results)

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