A0A087XNV5_POEFO Loading...

[histone H3]-lysine(4) N-trimethyltransferase

AlphaFold DB , UniProt , Accession A0A087XNV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M80.9Confident94.2Very high43 Ų4369.2 Ų69.221%0.21242%0.416CS..  01200-107.4-135.3-99.200108.4V4 F29 L119 L121 N195M1-V4 HydrophobicContact CB-CG2 4.29Å; M1-V4 HydrophobicContact CE-CG2 4.01Å; M1-V4 HydrophobicContact SD-CG2 3.38Å; M1-V4 WeakPolarHBondContact SD-CG2 3.41Å; M1-F29 HydrophobicContact CE-CD1 4.07Å; M1-F29 HydrophobicContact CE-CD2 4.26Å; M1-F29 HydrophobicContact CE-CE1 4.2Å; M1-F29 HydrophobicContact CE-CE2 4.39Å; M1-F29 HydrophobicContact CE-CG 4.1Å; M1-F29 HydrophobicContact CE-CZ 4.37Å; M1-F29 HydrophobicContact SD-CB 3.57Å; M1-F29 VanDerWaalsContact SD-CB 3.57Å; M1-F29 HydrophobicContact SD-CD1 3.55Å; M1-F29 VanDerWaalsContact SD-CD1 3.55Å; M1-F29 HydrophobicContact SD-CD2 4.2Å; M1-F29 HydrophobicContact SD-CE1 4.24Å; M1-F29 HydrophobicContact SD-CG 3.53Å; M1-F29 VanDerWaalsContact SD-CG 3.53Å; M1-L119 HydrophobicContact CG-CB 4.37Å; M1-L119 WeakPolarHBondContact CG-O 3.5Å; M1-L121 HydrophobicContact CB-CD1 4.11Å; M1-L121 HydrophobicContact CB-CD2 4.04Å; M1-L121 HydrophobicContact CB-CG 4.11Å; M1-L121 HydrophobicContact CE-CD1 3.39Å; M1-L121 HydrophobicContact CE-CG 3.84Å; M1-L121 HydrophobicContact SD-CD1 4.2Å; M1-N195 HydrophobicContact CE-CB 3.2Å; M1-N195 VanDerWaalsContact CE-OD1 3.28Å; M1-N195 WeakPolarHBondContact CE-OD1 3.28Å
2E88.9Confident94.3Very high181 Ų18170.3 Ų70.385%0.84641%0.411SS*.  trans-100.2-24-170.3-65.8179.5-177.400114.4
3N96.1Very high94.4Very high40 Ų4067.8 Ų67.821%0.21441%0.411CS..SBendtrans-92.3-2.2-172.3-48.9-50.5000114.2A19 K20 F22 I28N3-A19 PolarHBondContact O-N 3.44Å; N3-K20 WeakPolarHBondContact OD1-CE 3.29Å; N3-K20 PolarHBondContact OD1-NZ 3.28Å; N3-F22 HydrophobicContact CB-CE1 4.14Å; N3-F22 HydrophobicContact CB-CZ 3.57Å; N3-I28 PolarHBondContact ND2-O 2.96Å
4V97.6Very high94.6Very high8 Ų869 Ų695%0.04840%0.404CS..EExtended strand (participates in β ladder)trans-140.4157-176.4-54.40000110.3M1 L16 K17 I28 F29 L121 L230M1-V4 HydrophobicContact CB-CG2 4.29Å; M1-V4 HydrophobicContact CE-CG2 4.01Å; M1-V4 HydrophobicContact SD-CG2 3.38Å; M1-V4 WeakPolarHBondContact SD-CG2 3.41Å; V4-L16 HydrophobicContact CG2-CD1 4.24Å; V4-L16 HydrophobicContact CG2-CD2 4.33Å; V4-K17 VanDerWaalsContact CA-O 3.27Å; V4-K17 WeakPolarHBondContact CA-O 2.8Å; V4-I28 HydrophobicContact CG1-CG2 3.34Å; V4-F29 HydrophobicContact CG1-CD1 4.21Å; V4-L121 HydrophobicContact CG2-CD1 3.8Å; V4-L230 HydrophobicContact CB-CD1 4.35Å; V4-L230 HydrophobicContact CG1-CD1 3.49Å; V4-L230 VanDerWaalsContact CG1-CD1 3.49Å
5A97.3Very high94.8Very high37 Ų3764.4 Ų64.431%0.30638%0.377SS..EExtended strand (participates in β ladder)trans-134.1144.7172.600000110.4K17A5-K17 HydrophobicContact CB-CG 4.33Å; A5-K17 PolarHBondContact N-O 3.17Å; A5-K17 PolarHBondContact O-N 3.28Å
6I97.4Very high95Very high69 Ų6960.4 Ų60.435%0.35435%0.353SS..EExtended strand (participates in β ladder)trans-68.8140.5168.5-50.9174.7000108.3R14 G15 L16 L121 L198I6-R14 HydrophobicContact CG2-CB 4.4Å; I6-R14 HydrophobicContact CG2-CG 4.43Å; I6-G15 WeakPolarHBondContact CA-O 3.35Å; I6-L16 HydrophobicContact CG1-CD2 4.08Å; I6-L121 HydrophobicContact CD1-CB 3.83Å; I6-L121 WeakPolarHBondContact CD1-O 3.3Å; I6-L121 HydrophobicContact CG1-CB 4.11Å; I6-L121 HydrophobicContact CG1-CD1 4.27Å; I6-L198 HydrophobicContact CD1-CD1 4.22Å; I6-L198 HydrophobicContact CG1-CD1 4.17Å
7F97.4Very high95.2Very high45 Ų4561.3 Ų61.320%0.19735%0.352CS..EExtended strand (participates in β ladder)trans-144.2161.8169.679-67.5000110.4R14 G15 K17 E229F7-R14 WeakPolarHBondContact O-CA 3.45Å; F7-G15 VanDerWaalsContact CD1-O 3.27Å; F7-G15 WeakPolarHBondContact CD1-O 3.09Å; F7-G15 PolarHBondContact N-O 3.49Å; F7-G15 PolarHBondContact O-N 2.9Å; F7-K17 HydrophobicContact CB-CD 3.9Å; F7-K17 HydrophobicContact CB-CG 4.28Å; F7-K17 HydrophobicContact CD1-CB 3.69Å; F7-K17 HydrophobicContact CD1-CD 4.1Å; F7-K17 HydrophobicContact CD1-CG 3.81Å; F7-K17 HydrophobicContact CE1-CB 3.87Å; F7-K17 HydrophobicContact CE1-CG 4.49Å; F7-K17 HydrophobicContact CG-CB 4.32Å; F7-K17 HydrophobicContact CG-CD 3.91Å; F7-K17 HydrophobicContact CG-CG 4.14Å; F7-E229 HydrophobicContact CE1-CB 4.22Å; F7-E229 HydrophobicContact CE1-CG 3.94Å; F7-E229 HydrophobicContact CZ-CB 3.76Å; F7-E229 HydrophobicContact CZ-CG 3.65Å
8D97.5Very high95.4Very high127 Ų12758 Ų5868%0.67933%0.333SS*.EExtended strand (participates in β ladder)trans-82.7113169.5-171.749.6000108.6
9S96.5Very high95.5Very high4 Ų457.2 Ų57.23%0.02833%0.334CS..EExtended strand (participates in β ladder)trans-90.4117.4-179.1-171.60000109.1G11 K12 G13 E229S9-G11 PolarHBondContact O-N 3.24Å; S9-K12 PolarHBondContact O-N 2.7Å; S9-G13 WeakPolarHBondContact CA-O 3.35Å; S9-G13 WeakPolarHBondContact CB-O 3.43Å; S9-G13 PolarHBondContact N-O 3.11Å; S9-G13 PolarHBondContact O-N 3.34Å; S9-E229 WeakPolarHBondContact CB-OE1 3.48Å; S9-E229 PolarHBondContact OG-OE1 3.26Å
10P93.7Very high95.6Very high115 Ų11559 Ų5975%0.74734%0.338SS*.THydrogen-bonded Turntrans-53.7115.6-173.8-28.735.6000112.9K12P10-K12 VanDerWaalsContact C-N 3.26Å; P10-K12 PolarHBondContact O-N 3.15Å
11G92.6Very high95.8Very high92 Ų9260.4 Ų60.495%0.94834%0.342SS*.THydrogen-bonded Turntrans75.25.2179.200000115.6S9S9-G11 PolarHBondContact O-N 3.24Å
12K96Very high96.6Very high82 Ų8258.5 Ų58.536%0.35733%0.332SS..THydrogen-bonded Turntrans-121.72.4177.5-52.2-177.5-168.3170.70113.4S9 P10 N200 E229S9-K12 PolarHBondContact O-N 2.7Å; P10-K12 VanDerWaalsContact C-N 3.26Å; P10-K12 PolarHBondContact O-N 3.15Å; K12-N200 HydrophobicContact CD-CB 4.39Å; K12-E229 IonicContact NZ-OE1 3.96Å; K12-E229 IonicContact NZ-OE2 3.73Å; K12-E229 PolarHBondContact NZ-OE2 3.12Å
13G95.4Very high97.1Very high39 Ų3956.7 Ų56.740%0.40232%0.318SS..EExtended strand (participates in β ladder)trans71.5-140.9-173.800000111.3S9S9-G13 WeakPolarHBondContact CA-O 3.35Å; S9-G13 WeakPolarHBondContact CB-O 3.43Å; S9-G13 PolarHBondContact N-O 3.11Å; S9-G13 PolarHBondContact O-N 3.34Å
14R96.7Very high97.2Very high84 Ų8457.1 Ų57.132%0.31733%0.326SS..EExtended strand (participates in β ladder)trans-72.6148.7179.5-68.6173.4-62.4149.715111I6 F7 T122 E126 N200I6-R14 HydrophobicContact CG2-CB 4.4Å; I6-R14 HydrophobicContact CG2-CG 4.43Å; F7-R14 WeakPolarHBondContact O-CA 3.45Å; R14-T122 PolarHBondContact NH1-OG1 3.33Å; R14-E126 VanDerWaalsContact CZ-O 3.28Å; R14-E126 PolarHBondContact NH2-O 3.44Å; R14-N200 PolarHBondContact O-ND2 3.13Å; R14-N200 VanDerWaalsContact O-ND2 3.08Å; R14-N200 PolarHBondContact O-OD1 2.77Å
15G97.6Very high97.2Very high0 Ų057.6 Ų57.60%033%0.333CS..EExtended strand (participates in β ladder)trans-143.3170.8172.400000111.6I6 F7 L198I6-G15 WeakPolarHBondContact CA-O 3.35Å; F7-G15 VanDerWaalsContact CD1-O 3.27Å; F7-G15 WeakPolarHBondContact CD1-O 3.09Å; F7-G15 PolarHBondContact N-O 3.49Å; F7-G15 PolarHBondContact O-N 2.9Å; G15-L198 CarbonylContact C-O 3.58Å; G15-L198 WeakPolarHBondContact CA-O 2.75Å
16L98.4Very high97.2Very high0 Ų058.9 Ų58.90%034%0.335CS..EExtended strand (participates in β ladder)trans-102.8135.9165.4-67.8-174000110.5V4 I6 F29 L121 L198 V199 L230V4-L16 HydrophobicContact CG2-CD1 4.24Å; V4-L16 HydrophobicContact CG2-CD2 4.33Å; I6-L16 HydrophobicContact CG1-CD2 4.08Å; L16-F29 HydrophobicContact CD1-CE1 3.86Å; L16-F29 HydrophobicContact CD1-CZ 4.29Å; L16-L121 HydrophobicContact CD2-CD1 3.82Å; L16-L198 HydrophobicContact CD1-CB 4.18Å; L16-L198 HydrophobicContact CD2-CB 4.02Å; L16-L198 HydrophobicContact CD2-CD1 3.99Å; L16-L198 HydrophobicContact CG-CB 3.72Å; L16-L198 PolarHBondContact N-O 3.02Å; L16-V199 HydrophobicContact CD1-CG2 3.78Å; L16-V199 HydrophobicContact CG-CG2 4.39Å; L16-L230 HydrophobicContact CB-CB 4.47Å; L16-L230 HydrophobicContact CB-CD1 4.27Å; L16-L230 PolarHBondContact O-N 3.02Å
17K98.4Very high97.2Very high76 Ų7658.4 Ų58.433%0.3334%0.335SS..EExtended strand (participates in β ladder)trans-118.1154169.664178.8-179-178.50111.4V4 A5 F7 E228V4-K17 VanDerWaalsContact CA-O 3.27Å; V4-K17 WeakPolarHBondContact CA-O 2.8Å; A5-K17 HydrophobicContact CB-CG 4.33Å; A5-K17 PolarHBondContact N-O 3.17Å; A5-K17 PolarHBondContact O-N 3.28Å; F7-K17 HydrophobicContact CB-CD 3.9Å; F7-K17 HydrophobicContact CB-CG 4.28Å; F7-K17 HydrophobicContact CD1-CB 3.69Å; F7-K17 HydrophobicContact CD1-CD 4.1Å; F7-K17 HydrophobicContact CD1-CG 3.81Å; F7-K17 HydrophobicContact CE1-CB 3.87Å; F7-K17 HydrophobicContact CE1-CG 4.49Å; F7-K17 HydrophobicContact CG-CB 4.32Å; F7-K17 HydrophobicContact CG-CD 3.91Å; F7-K17 HydrophobicContact CG-CG 4.14Å; K17-E228 CarbonylContact C-O 3.46Å; K17-E228 WeakPolarHBondContact CA-O 3.42Å; K17-E228 WeakPolarHBondContact CB-O 3.39Å
18A98.6Very high97.3Very high2 Ų256.3 Ų56.32%0.01733%0.326CS..EExtended strand (participates in β ladder)trans-66.3130.717700000111K20 F22 I224 A225 G227 E228 L230A18-K20 VanDerWaalsContact C-N 3.35Å; A18-K20 WeakPolarHBondContact CB-O 3.29Å; A18-F22 HydrophobicContact CB-CD2 4.13Å; A18-F22 HydrophobicContact CB-CE2 3.91Å; A18-I224 HydrophobicContact CB-CG2 3.95Å; A18-A225 WeakPolarHBondContact CB-O 3.38Å; A18-G227 PolarHBondContact O-N 2.87Å; A18-E228 PolarHBondContact N-O 2.9Å; A18-L230 HydrophobicContact CB-CD2 4.15Å
19A97.9Very high97.2Very high42 Ų4251 Ų5135%0.34730%0.297SS..SBendtrans-91.6-0.8173.500000112.8N3N3-A19 PolarHBondContact O-N 3.44Å
20K97.7Very high97.1Very high93 Ų9353 Ų5340%0.40431%0.311SS..SBendtrans-159.5172.6175.867.8-176.6-166.3-169.70109.8N3 A18 F22N3-K20 WeakPolarHBondContact OD1-CE 3.29Å; N3-K20 PolarHBondContact OD1-NZ 3.28Å; A18-K20 VanDerWaalsContact C-N 3.35Å; A18-K20 WeakPolarHBondContact CB-O 3.29Å; K20-F22 HydrophobicContact CG-CE1 4.45Å; K20-F22 HydrophobicContact CG-CE2 4.36Å; K20-F22 HydrophobicContact CG-CZ 4.21Å; K20-F22 WeakPolarHBondContact O-CD2 3.28Å
21E98.4Very high97.1Very high90 Ų9048 Ų4842%0.42128%0.277SS..  trans-71.8144.2173.4-167.7177-121.600112K223 I224E21-K223 WeakPolarHBondContact OE1-CE 3.27Å; E21-K223 IonicContact OE1-NZ 2.81Å; E21-K223 PolarHBondContact OE1-NZ 3.04Å; E21-I224 WeakPolarHBondContact CA-O 3.33Å
22F98.7Very high97Very high3 Ų345 Ų451%0.01324%0.244CC..BIsolated β-bridgetrans-128.5155.3173.1-63.2-82000112.3N3 A18 K20 D26 I28 K223 I224N3-F22 HydrophobicContact CB-CE1 4.14Å; N3-F22 HydrophobicContact CB-CZ 3.57Å; A18-F22 HydrophobicContact CB-CD2 4.13Å; A18-F22 HydrophobicContact CB-CE2 3.91Å; K20-F22 HydrophobicContact CG-CE1 4.45Å; K20-F22 HydrophobicContact CG-CE2 4.36Å; K20-F22 HydrophobicContact CG-CZ 4.21Å; K20-F22 WeakPolarHBondContact O-CD2 3.28Å; F22-D26 HydrophobicContact CB-CB 4.38Å; F22-D26 HydrophobicContact CD1-CB 3.88Å; F22-I28 HydrophobicContact CD1-CG1 4.21Å; F22-I28 HydrophobicContact CD2-CG1 4.44Å; F22-I28 HydrophobicContact CE1-CB 4.27Å; F22-I28 HydrophobicContact CE1-CG1 3.98Å; F22-I28 HydrophobicContact CE1-CG2 4.35Å; F22-I28 HydrophobicContact CE2-CD1 4.49Å; F22-I28 HydrophobicContact CE2-CG1 4.23Å; F22-I28 HydrophobicContact CE2-CG2 4.13Å; F22-I28 HydrophobicContact CG-CG1 4.4Å; F22-I28 HydrophobicContact CZ-CB 4.08Å; F22-I28 HydrophobicContact CZ-CG1 3.95Å; F22-I28 HydrophobicContact CZ-CG2 3.67Å; F22-K223 VanDerWaalsContact O-CA 3.32Å; F22-K223 WeakPolarHBondContact O-CA 3.47Å; F22-I224 HydrophobicContact CB-CB 4.26Å; F22-I224 HydrophobicContact CD2-CB 4.42Å; F22-I224 PolarHBondContact N-O 3.49Å; F22-I224 PolarHBondContact O-N 2.98Å
23W98.5Very high96.7Very high143 Ų14342.6 Ų42.654%0.54224%0.237SC..  trans-116.3162.1173.4-63.991.5000111.3G25 D26 S220 G222 K223W23-G25 PolarHBondContact O-N 2.72Å; W23-D26 PolarHBondContact N-OD2 3.25Å; W23-D26 WeakPolarHBondContact O-CB 3.49Å; W23-D26 PolarHBondContact O-N 3.33Å; W23-D26 VanDerWaalsContact O-N 3.09Å; W23-S220 PolarHBondContact O-OG 3.24Å; W23-G222 CarbonylContact C-O 3.58Å; W23-K223 HydrophobicContact CE3-CB 4.41Å; W23-K223 HydrophobicContact CE3-CG 4.36Å; W23-K223 HydrophobicContact CH2-CD 3.92Å; W23-K223 HydrophobicContact CZ3-CB 4.44Å; W23-K223 HydrophobicContact CZ3-CD 3.93Å; W23-K223 HydrophobicContact CZ3-CG 4.24Å
24A98.3Very high96.5Very high48 Ų4840.8 Ų40.840%0.39722%0.218SC..THydrogen-bonded Turntrans-54.7124.3-178.800000111.7G222 V409A24-G222 PolarHBondContact N-O 2.9Å; A24-V409 HydrophobicContact CB-CG1 4.29Å; A24-V409 HydrophobicContact CB-CG2 4.44Å
25G97.6Very high96.4Very high18 Ų1836.9 Ų36.919%0.18620%0.204CC..THydrogen-bonded Turntrans93.7-4.4178.200000115.1W23 R219 S220W23-G25 PolarHBondContact O-N 2.72Å; G25-R219 PolarHBondContact O-NH1 2.97Å; G25-S220 PolarHBondContact N-O 2.97Å
26D98.3Very high96.2Very high64 Ų6437.2 Ų37.234%0.34221%0.207SC..  trans-62.3139.8171.7-74.3-22.4000110.6F22 W23 I28 R219 S220F22-D26 HydrophobicContact CB-CB 4.38Å; F22-D26 HydrophobicContact CD1-CB 3.88Å; W23-D26 PolarHBondContact N-OD2 3.25Å; W23-D26 WeakPolarHBondContact O-CB 3.49Å; W23-D26 PolarHBondContact O-N 3.33Å; W23-D26 VanDerWaalsContact O-N 3.09Å; D26-I28 PolarHBondContact O-N 2.88Å; D26-R219 VanDerWaalsContact O-CA 3.29Å; D26-R219 WeakPolarHBondContact O-CA 3.49Å; D26-S220 PolarHBondContact N-OG 3.43Å; D26-S220 PolarHBondContact O-N 3.47Å; D26-S220 VanDerWaalsContact O-N 3.14Å; D26-S220 PolarHBondContact O-OG 2.83Å
27V97.8Very high96.1Very high59 Ų5937.3 Ų37.336%0.35821%0.207SC..EExtended strand (participates in β ladder)trans-85.2110.6170.7-179.90000107.8E217 R219V27-E217 HydrophobicContact CG1-CB 4.42Å; V27-E217 HydrophobicContact CG1-CG 4.44Å; V27-R219 HydrophobicContact CG2-CG 4.25Å; V27-R219 VanDerWaalsContact CG2-NH2 3.26Å
28I98Very high96Very high1 Ų133.8 Ų33.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-69-51.7178.5-58.4-176.8000109.1N3 V4 F22 D26 C207 L218 I224 L230N3-I28 PolarHBondContact ND2-O 2.96Å; V4-I28 HydrophobicContact CG1-CG2 3.34Å; F22-I28 HydrophobicContact CD1-CG1 4.21Å; F22-I28 HydrophobicContact CD2-CG1 4.44Å; F22-I28 HydrophobicContact CE1-CB 4.27Å; F22-I28 HydrophobicContact CE1-CG1 3.98Å; F22-I28 HydrophobicContact CE1-CG2 4.35Å; F22-I28 HydrophobicContact CE2-CD1 4.49Å; F22-I28 HydrophobicContact CE2-CG1 4.23Å; F22-I28 HydrophobicContact CE2-CG2 4.13Å; F22-I28 HydrophobicContact CG-CG1 4.4Å; F22-I28 HydrophobicContact CZ-CB 4.08Å; F22-I28 HydrophobicContact CZ-CG1 3.95Å; F22-I28 HydrophobicContact CZ-CG2 3.67Å; D26-I28 PolarHBondContact O-N 2.88Å; I28-C207 WeakPolarHBondContact CD1-SG 3.35Å; I28-L218 HydrophobicContact CB-CB 4.44Å; I28-L218 HydrophobicContact CB-CD2 4.26Å; I28-L218 HydrophobicContact CB-CG 4.41Å; I28-L218 WeakPolarHBondContact CB-O 3.45Å; I28-L218 HydrophobicContact CD1-CD2 4.1Å; I28-L218 HydrophobicContact CD1-CG 4.24Å; I28-L218 HydrophobicContact CG2-CD2 4.22Å; I28-L218 PolarHBondContact N-O 3.42Å; I28-I224 HydrophobicContact CD1-CD1 4.21Å; I28-L230 HydrophobicContact CD1-CD1 4.13Å; I28-L230 HydrophobicContact CD1-CD2 3.87Å; I28-L230 HydrophobicContact CG2-CD1 3.83Å
29F96.6Very high96Very high17 Ų1735.5 Ų35.58%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-156.4165.2169.263.6-100.2000111.8M1 V4 L16 E31 N195 L196 V199 I216 E217 L218M1-F29 HydrophobicContact CE-CD1 4.07Å; M1-F29 HydrophobicContact CE-CD2 4.26Å; M1-F29 HydrophobicContact CE-CE1 4.2Å; M1-F29 HydrophobicContact CE-CE2 4.39Å; M1-F29 HydrophobicContact CE-CG 4.1Å; M1-F29 HydrophobicContact CE-CZ 4.37Å; M1-F29 HydrophobicContact SD-CB 3.57Å; M1-F29 VanDerWaalsContact SD-CB 3.57Å; M1-F29 HydrophobicContact SD-CD1 3.55Å; M1-F29 VanDerWaalsContact SD-CD1 3.55Å; M1-F29 HydrophobicContact SD-CD2 4.2Å; M1-F29 HydrophobicContact SD-CE1 4.24Å; M1-F29 HydrophobicContact SD-CG 3.53Å; M1-F29 VanDerWaalsContact SD-CG 3.53Å; V4-F29 HydrophobicContact CG1-CD1 4.21Å; L16-F29 HydrophobicContact CD1-CE1 3.86Å; L16-F29 HydrophobicContact CD1-CZ 4.29Å; F29-E31 HydrophobicContact CD2-CB 4.4Å; F29-E31 HydrophobicContact CE2-CB 4.45Å; F29-N195 HydrophobicContact CE2-CB 4.15Å; F29-N195 HydrophobicContact CZ-CB 4.34Å; F29-L196 HydrophobicContact CZ-CD1 4.31Å; F29-V199 HydrophobicContact CZ-CG2 4.41Å; F29-I216 HydrophobicContact CD2-CD1 4.38Å; F29-I216 HydrophobicContact CE2-CD1 3.91Å; F29-E217 WeakPolarHBondContact O-CA 3.41Å; F29-L218 HydrophobicContact CD1-CB 4.26Å; F29-L218 HydrophobicContact CD1-CD2 4.04Å; F29-L218 HydrophobicContact CE1-CB 3.99Å; F29-L218 HydrophobicContact CE1-CD2 3.35Å; F29-L218 HydrophobicContact CE1-CG 4.3Å; F29-L218 HydrophobicContact CE2-CB 4.25Å; F29-L218 HydrophobicContact CZ-CB 3.97Å; F29-L218 HydrophobicContact CZ-CD2 3.84Å; F29-L218 PolarHBondContact O-N 3Å
30S94.4Very high95.8Very high45 Ų4536.8 Ų36.832%0.31520%0.2SC..EExtended strand (participates in β ladder)trans-129.7133.9171.5176.20000111.5R215 I216S30-R215 PolarHBondContact O-NH2 2.98Å; S30-R215 PolarHBondContact OG-NE 3.02Å; S30-R215 VanDerWaalsContact OG-NE 3.17Å; S30-I216 CarbonylContact C-O 3.59Å; S30-I216 WeakPolarHBondContact CA-O 3.47Å; S30-I216 WeakPolarHBondContact CB-O 3.49Å; S30-I216 PolarHBondContact OG-O 3.15Å
31E92.8Very high95.5Very high9 Ų936.7 Ų36.74%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-131.4137.6-172.8173.9170.8-129.200111F29 F193 P194 N195 L196 R215 I216F29-E31 HydrophobicContact CD2-CB 4.4Å; F29-E31 HydrophobicContact CE2-CB 4.45Å; E31-F193 HydrophobicContact CG-CB 4.44Å; E31-F193 HydrophobicContact CG-CD1 4.38Å; E31-F193 WeakPolarHBondContact OE2-CB 3.26Å; E31-P194 WeakPolarHBondContact OE1-CD 3.24Å; E31-N195 WeakPolarHBondContact OE1-CB 3.29Å; E31-N195 VanDerWaalsContact OE1-CG 3.27Å; E31-N195 PolarHBondContact OE1-N 3.45Å; E31-N195 PolarHBondContact OE1-ND2 2.92Å; E31-N195 WeakPolarHBondContact OE2-CB 3.38Å; E31-N195 PolarHBondContact OE2-N 3.1Å; E31-L196 PolarHBondContact OE2-N 3.16Å; E31-L196 VanDerWaalsContact OE2-N 3.15Å; E31-R215 CarbonylContact O-C 3.43Å; E31-R215 VanDerWaalsContact O-CA 3.28Å; E31-R215 WeakPolarHBondContact O-CA 3.16Å; E31-R215 WeakPolarHBondContact O-CB 3.32Å; E31-I216 HydrophobicContact CB-CD1 3.71Å; E31-I216 HydrophobicContact CB-CG1 4.04Å; E31-I216 PolarHBondContact N-O 3.14Å; E31-I216 PolarHBondContact O-N 2.9Å
32A90.3Very high95.3Very high31 Ų3133.9 Ų33.926%0.25620%0.198SC..EExtended strand (participates in β ladder)trans-81.1149.8166.800000109
33S90.6Very high95Very high31 Ų3134.2 Ų34.222%0.21720%0.202CC..  trans-61.2142.6173.153.60000110.7S35 L192 F193S33-S35 VanDerWaalsContact C-N 3.28Å; S33-L192 CarbonylContact C-O 3.58Å; S33-L192 WeakPolarHBondContact CA-O 3.2Å; S33-F193 VanDerWaalsContact CA-CE1 3.46Å; S33-F193 VanDerWaalsContact CB-CE1 3.47Å
34L91.7Very high94.8Very high0 Ų034.8 Ų34.80%021%0.21CC..SBendtrans-62.2-44.8162172.973.4000109.7I105 R108 V116 L124 L192 P194L34-I105 HydrophobicContact CD2-CG1 4.35Å; L34-I105 HydrophobicContact CD2-CG2 4.34Å; L34-R108 WeakPolarHBondContact O-CD 3.44Å; L34-R108 PolarHBondContact O-NE 3.21Å; L34-R108 PolarHBondContact O-NH1 2.93Å; L34-V116 HydrophobicContact CB-CG2 3.77Å; L34-V116 HydrophobicContact CD1-CG2 3.25Å; L34-V116 HydrophobicContact CG-CG2 4.09Å; L34-L124 HydrophobicContact CD2-CD1 3.32Å; L34-L124 HydrophobicContact CD2-CD2 3.59Å; L34-L124 HydrophobicContact CD2-CG 3.68Å; L34-L192 HydrophobicContact CD2-CD2 4.17Å; L34-L192 PolarHBondContact N-O 3.46Å; L34-P194 HydrophobicContact CB-CG 4.05Å
35S93.1Very high94.6Very high2 Ų239.7 Ų39.71%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-158.7154.5172.8-173.10000109.2S33 L101 R104 G191 L192S33-S35 VanDerWaalsContact C-N 3.28Å; S35-L101 WeakPolarHBondContact OG-CD1 3.39Å; S35-R104 WeakPolarHBondContact OG-CB 3.13Å; S35-G191 CarbonylContact O-C 3.56Å; S35-G191 VanDerWaalsContact O-CA 3.24Å; S35-G191 WeakPolarHBondContact O-CA 3.34Å; S35-L192 PolarHBondContact O-N 2.78Å
36A94.6Very high94.5Very high8 Ų839 Ų397%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-151.7151.6174.600000111F51 R104 V190A36-F51 HydrophobicContact CB-CE1 4.36Å; A36-F51 HydrophobicContact CB-CE2 4Å; A36-F51 HydrophobicContact CB-CZ 3.47Å; A36-F51 VanDerWaalsContact CB-CZ 3.47Å; A36-R104 PolarHBondContact O-NH1 3.44Å; A36-V190 CarbonylContact C-O 3.41Å; A36-V190 VanDerWaalsContact CA-O 3.26Å; A36-V190 WeakPolarHBondContact CA-O 3.39Å
37V96.5Very high94.3Very high1 Ų135.9 Ų35.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-136.9149.7179.4-65.20000111.3E97 R100 L101 G189 V190V37-E97 HydrophobicContact CG2-CB 4.12Å; V37-R100 HydrophobicContact CG1-CB 4.09Å; V37-L101 HydrophobicContact CG1-CB 4.08Å; V37-L101 HydrophobicContact CG1-CD1 4.23Å; V37-L101 HydrophobicContact CG2-CB 3.81Å; V37-L101 HydrophobicContact CG2-CD1 4.47Å; V37-L101 HydrophobicContact CG2-CG 4.48Å; V37-G189 CarbonylContact O-C 3.56Å; V37-G189 WeakPolarHBondContact O-CA 3.28Å; V37-V190 HydrophobicContact CG2-CG1 3.73Å; V37-V190 PolarHBondContact N-O 2.96Å; V37-V190 PolarHBondContact O-N 3.23Å
38V96.6Very high94.2Very high2 Ų233.5 Ų33.51%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-77.8143.5172.2176.60000109H42 I46 F51 R100 V188V38-H42 HydrophobicContact CG1-CB 4.25Å; V38-I46 HydrophobicContact CG1-CB 3.82Å; V38-I46 HydrophobicContact CG1-CG1 4.49Å; V38-I46 HydrophobicContact CG1-CG2 3.99Å; V38-I46 HydrophobicContact CG2-CB 4.41Å; V38-I46 HydrophobicContact CG2-CG2 3.8Å; V38-F51 HydrophobicContact CG2-CD1 3.87Å; V38-F51 HydrophobicContact CG2-CE1 3.77Å; V38-R100 PolarHBondContact O-NH1 3.32Å; V38-R100 PolarHBondContact O-NH2 2.91Å; V38-V188 CarbonylContact C-O 3.43Å; V38-V188 WeakPolarHBondContact CA-O 3.38Å; V38-V188 WeakPolarHBondContact CG1-O 3.23Å
39F96.7Very high94Very high38 Ų3835.2 Ų35.217%0.16719%0.191CC..  trans-65.6145173.1-67.3-45.2000111.8S41 H42 A43 E97 A187 V188 G189 V190F39-S41 PolarHBondContact O-N 3.02Å; F39-H42 PolarHBondContact O-N 3.21Å; F39-A43 PolarHBondContact O-N 3.02Å; F39-E97 HydrophobicContact CD1-CB 4.46Å; F39-E97 HydrophobicContact CD1-CG 4.1Å; F39-A187 HydrophobicContact CE2-CB 4.02Å; F39-V188 PolarHBondContact N-O 3.38Å; F39-G189 VanDerWaalsContact CD2-N 3.3Å; F39-G189 WeakPolarHBondContact CE2-O 3.49Å; F39-G189 VanDerWaalsContact CZ-C 3.41Å; F39-G189 WeakPolarHBondContact CZ-O 3.39Å; F39-V190 HydrophobicContact CE1-CB 3.9Å; F39-V190 HydrophobicContact CE1-CG1 3.9Å; F39-V190 HydrophobicContact CZ-CB 4.21Å
40D93.8Very high93.8Very high69 Ų6936.1 Ų36.137%0.36920%0.199SC..G310 helixtrans-54.6-41-178.3-74.9-17000112.5H42 A43 N96 E97 R100D40-H42 PolarHBondContact O-N 2.81Å; D40-A43 PolarHBondContact O-N 3.06Å; D40-N96 WeakPolarHBondContact OD2-CA 3.29Å; D40-E97 VanDerWaalsContact CB-OE2 3.3Å; D40-E97 WeakPolarHBondContact CB-OE2 3.41Å; D40-E97 PolarHBondContact N-OE2 3.48Å; D40-E97 VanDerWaalsContact OD2-OE2 3.12Å; D40-R100 IonicContact OD1-CZ 3.69Å; D40-R100 IonicContact OD1-NE 3.13Å; D40-R100 IonicContact OD1-NH2 2.78Å; D40-R100 PolarHBondContact OD1-NH2 2.96Å
41S92.3Very high93.7Very high92 Ų9235 Ų3564%0.64319%0.188SC*.G310 helixtrans-62.1-12.9179.162.10000114.5F39F39-S41 PolarHBondContact O-N 3.02Å
42H93.4Very high93.5Very high30 Ų3039.7 Ų39.714%0.13921%0.206CC..G310 helixtrans-125.81.4-173.2-65.3-29.2000114.3V38 F39 D40 E44 R45 I46 Q186 A187V38-H42 HydrophobicContact CG1-CB 4.25Å; F39-H42 PolarHBondContact O-N 3.21Å; D40-H42 PolarHBondContact O-N 2.81Å; H42-E44 VanDerWaalsContact C-N 3.28Å; H42-E44 PolarHBondContact O-N 3.44Å; H42-E44 VanDerWaalsContact O-N 3.13Å; H42-R45 PolarHBondContact O-N 3.15Å; H42-I46 HydrophobicContact CB-CG1 3.74Å; H42-I46 WeakPolarHBondContact O-CG1 3.23Å; H42-I46 PolarHBondContact O-N 2.83Å; H42-Q186 PolarHBondContact CE1-NE2 3.47Å; H42-Q186 PolarHBondContact NE2-NE2 3.34Å; H42-A187 PolarHBondContact CD2-O 3.43Å; H42-A187 VanDerWaalsContact CD2-O 3.31Å
43A93.2Very high93.6Very high10 Ų1042.2 Ų42.28%0.08321%0.208CC..THydrogen-bonded Turntrans-54.1-38.2-172.900000114.3F39 D40 R45 H48 F65 H67F39-A43 PolarHBondContact O-N 3.02Å; D40-A43 PolarHBondContact O-N 3.06Å; A43-R45 VanDerWaalsContact C-N 3.34Å; A43-R45 PolarHBondContact O-N 3.06Å; A43-H48 PolarHBondContact O-CE1 3.25Å; A43-F65 HydrophobicContact CB-CE2 3.77Å; A43-F65 HydrophobicContact CB-CZ 4.38Å; A43-H67 PolarHBondContact O-ND1 3.28Å
44E94.5Very high93.5Very high155 Ų15544.4 Ų44.472%0.72422%0.215SC*.THydrogen-bonded Turntrans-80.4-14.5-177.9-61-172.6168.800114.3H42H42-E44 VanDerWaalsContact C-N 3.28Å; H42-E44 PolarHBondContact O-N 3.44Å; H42-E44 VanDerWaalsContact O-N 3.13Å
45R93.8Very high93.3Very high152 Ų15253.8 Ų53.857%0.57426%0.259SS*.THydrogen-bonded Turntrans-113.9-10.9-171.8-61.5-179.6-176.6177.60.6113.3H42 A43 R53 Q54H42-R45 PolarHBondContact O-N 3.15Å; A43-R45 VanDerWaalsContact C-N 3.34Å; A43-R45 PolarHBondContact O-N 3.06Å; R45-R53 WeakPolarHBondContact O-CA 3.32Å; R45-Q54 PolarHBondContact O-N 3.12Å
46I95.4Very high93.3Very high2 Ų262.2 Ų62.21%0.0130%0.296CS..BIsolated β-bridgetrans-119.3132.4-176.3-58.4-60.8000110.3V38 H42 H48 F51 R53 L57 V188V38-I46 HydrophobicContact CG1-CB 3.82Å; V38-I46 HydrophobicContact CG1-CG1 4.49Å; V38-I46 HydrophobicContact CG1-CG2 3.99Å; V38-I46 HydrophobicContact CG2-CB 4.41Å; V38-I46 HydrophobicContact CG2-CG2 3.8Å; H42-I46 HydrophobicContact CB-CG1 3.74Å; H42-I46 WeakPolarHBondContact O-CG1 3.23Å; H42-I46 PolarHBondContact O-N 2.83Å; I46-H48 PolarHBondContact O-N 3.4Å; I46-H48 PolarHBondContact O-ND1 3.36Å; I46-F51 HydrophobicContact CG2-CB 4.45Å; I46-R53 HydrophobicContact CD1-CB 3.55Å; I46-R53 HydrophobicContact CD1-CG 3.97Å; I46-L57 VanDerWaalsContact C-CD1 3.49Å; I46-V188 HydrophobicContact CD1-CB 4.08Å; I46-V188 HydrophobicContact CD1-CG1 3.55Å; I46-V188 HydrophobicContact CG1-CB 3.93Å; I46-V188 HydrophobicContact CG1-CG1 3.83Å; I46-V188 HydrophobicContact CG2-CB 4.16Å; I46-V188 HydrophobicContact CG2-CG2 4.25Å
47C95.1Very high93.4Very high0 Ų063.2 Ų63.20%030%0.3CS..  trans-66.4125.2173.3176.50000110.9S49 C50 F51 R52 L57 H67 C69C47-S49 PolarHBondContact O-N 3.38Å; C47-S49 VanDerWaalsContact O-N 3.11Å; C47-S49 PolarHBondContact SG-N 2.66Å; C47-S49 VanDerWaalsContact SG-N 3.42Å; C47-C50 VanDerWaalsContact CB-SG 3.56Å; C47-F51 VanDerWaalsContact O-CA 3.26Å; C47-F51 WeakPolarHBondContact O-CA 3.19Å; C47-F51 PolarHBondContact O-N 2.94Å; C47-R52 PolarHBondContact N-O 3.42Å; C47-L57 HydrophobicContact CB-CD2 4.2Å; C47-H67 CarbonylContact C-O 3.49Å; C47-H67 WeakPolarHBondContact CA-O 3.2Å; C47-C69 WeakPolarHBondContact CB-SG 3.12Å
48H95.7Very high93.4Very high9 Ų969.1 Ų69.14%0.04233%0.327CS..THydrogen-bonded Turntrans-71.5-0.7-179.9-73.953.8000114.8A43 I46 F65 A66 H67 Y68A43-H48 PolarHBondContact O-CE1 3.25Å; I46-H48 PolarHBondContact O-N 3.4Å; I46-H48 PolarHBondContact O-ND1 3.36Å; H48-F65 AromaticContact CD2-CE1 3.88Å; H48-F65 AromaticContact NE2-CE1 3.49Å; H48-F65 WeakPolarHBondContact NE2-CE1 3.48Å; H48-F65 AromaticContact NE2-CE2 3.94Å; H48-F65 AromaticContact NE2-CZ 3.4Å; H48-F65 WeakPolarHBondContact NE2-CZ 3.36Å; H48-A66 HydrophobicContact CB-CB 4.27Å; H48-H67 PolarHBondContact N-O 2.87Å; H48-H67 PolarHBondContact ND1-N 3.33Å; H48-H67 PolarHBondContact ND1-O 2.89Å; H48-Y68 HydrophobicContact CB-CE1 4.25Å
49S93.8Very high93.5Very high36 Ų3676.1 Ų76.125%0.25235%0.353SS..THydrogen-bonded Turntrans-111.6-42.7177174.30000112.3C47 C73 G77C47-S49 PolarHBondContact O-N 3.38Å; C47-S49 VanDerWaalsContact O-N 3.11Å; C47-S49 PolarHBondContact SG-N 2.66Å; C47-S49 VanDerWaalsContact SG-N 3.42Å; S49-C73 VanDerWaalsContact CB-O 3.29Å; S49-C73 WeakPolarHBondContact CB-O 3.46Å; S49-C73 PolarHBondContact OG-O 3.48Å; S49-G77 PolarHBondContact OG-N 3.15Å
50C91.1Very high93.6Very high36 Ų3674.4 Ų74.424%0.24335%0.346CS..THydrogen-bonded Turntrans-115.31.2-17469.90000114.1C47 R52C47-C50 VanDerWaalsContact CB-SG 3.56Å; C50-R52 HydrophobicContact CB-CG 4.29Å; C50-R52 PolarHBondContact O-N 2.96Å; C50-R52 VanDerWaalsContact SG-CG 3.55Å
51F92.1Very high93.7Very high22 Ų2274.1 Ų74.110%0.09636%0.359CS..  trans58.813.3-180-60.4-90.9000114.8A36 V38 I46 C47 V179 V188A36-F51 HydrophobicContact CB-CE1 4.36Å; A36-F51 HydrophobicContact CB-CE2 4Å; A36-F51 HydrophobicContact CB-CZ 3.47Å; A36-F51 VanDerWaalsContact CB-CZ 3.47Å; V38-F51 HydrophobicContact CG2-CD1 3.87Å; V38-F51 HydrophobicContact CG2-CE1 3.77Å; I46-F51 HydrophobicContact CG2-CB 4.45Å; C47-F51 VanDerWaalsContact O-CA 3.26Å; C47-F51 WeakPolarHBondContact O-CA 3.19Å; C47-F51 PolarHBondContact O-N 2.94Å; F51-V179 HydrophobicContact CB-CG1 3.64Å; F51-V179 HydrophobicContact CD1-CB 4.33Å; F51-V179 HydrophobicContact CD1-CG1 3.48Å; F51-V179 VanDerWaalsContact CD1-CG1 3.48Å; F51-V179 HydrophobicContact CD2-CG1 4.1Å; F51-V179 HydrophobicContact CE1-CG1 4.15Å; F51-V179 HydrophobicContact CG-CG1 3.46Å; F51-V179 VanDerWaalsContact CG-CG1 3.46Å; F51-V188 HydrophobicContact CB-CG2 4.15Å; F51-V188 HydrophobicContact CD1-CG2 4.36Å
52R90.4Very high93.9Very high107 Ų10775.2 Ų75.240%0.40435%0.354SS..  trans-79.8136.5177.1-59.6-172.3179.6-179-1.5110.8C47 C50 Q182C47-R52 PolarHBondContact N-O 3.42Å; C50-R52 HydrophobicContact CB-CG 4.29Å; C50-R52 PolarHBondContact O-N 2.96Å; C50-R52 VanDerWaalsContact SG-CG 3.55Å; R52-Q182 HydrophobicContact CG-CB 4.14Å
53R90.8Very high94.1Very high84 Ų8474.4 Ų74.432%0.31735%0.352SS..BIsolated β-bridgetrans-75.2132.3168.6-171.7172.5178.5155.1-3110.9R45 I46 D181 Q182R45-R53 WeakPolarHBondContact O-CA 3.32Å; I46-R53 HydrophobicContact CD1-CB 3.55Å; I46-R53 HydrophobicContact CD1-CG 3.97Å; R53-D181 HydrophobicContact CB-CB 4.48Å; R53-Q182 PolarHBondContact O-NE2 3.35Å
54Q88.6Confident94.3Very high77 Ų7780.6 Ų80.636%0.3638%0.377SS..  trans-141.6151.9170.7-64.3-169.1-18.200110.6R45 K56 L57 C69R45-Q54 PolarHBondContact O-N 3.12Å; Q54-K56 VanDerWaalsContact C-N 3.34Å; Q54-L57 HydrophobicContact CB-CD2 3.77Å; Q54-L57 HydrophobicContact CB-CG 4.22Å; Q54-L57 HydrophobicContact CG-CD2 4.24Å; Q54-C69 PolarHBondContact NE2-SG 2.9Å; Q54-C69 VanDerWaalsContact NE2-SG 3.37Å; Q54-C69 VanDerWaalsContact OE1-CA 3.29Å
55E87.7Confident94.4Very high197 Ų19774.1 Ų74.192%0.92135%0.347SS*.SBendtrans-69.6-33176.5-66.3-176.3171.700112.7
56K93.1Very high94.6Very high179 Ų17966.9 Ų66.978%0.77832%0.319SS*.SBendtrans-127.6107.3-177.4-63.9-177.3-175.9176.60109.6Q54Q54-K56 VanDerWaalsContact C-N 3.34Å
57L97Very high94.7Very high30 Ų3067.9 Ų67.916%0.15732%0.324CS..  trans-108.4148.7174.8-65.6172.8000111.2I46 C47 Q54 H67 Y68I46-L57 VanDerWaalsContact C-CD1 3.49Å; C47-L57 HydrophobicContact CB-CD2 4.2Å; Q54-L57 HydrophobicContact CB-CD2 3.77Å; Q54-L57 HydrophobicContact CB-CG 4.22Å; Q54-L57 HydrophobicContact CG-CD2 4.24Å; L57-H67 HydrophobicContact CB-CB 3.87Å; L57-H67 HydrophobicContact CD1-CB 3.81Å; L57-H67 HydrophobicContact CG-CB 4.44Å; L57-Y68 CarbonylContact C-O 3.49Å; L57-Y68 WeakPolarHBondContact CA-O 3.47Å; L57-Y68 WeakPolarHBondContact CD2-O 3.34Å
58Q97.4Very high94.8Very high124 Ų12467.9 Ų67.958%0.57932%0.324SS*.EExtended strand (participates in β ladder)trans-86.9113.7174.6-62.9-82.2-33.800109.2Y68Q58-Y68 PolarHBondContact N-O 2.9Å; Q58-Y68 PolarHBondContact O-N 3.31Å
59R97.7Very high94.8Very high149 Ų14968.4 Ų68.456%0.56233%0.328SS*.EExtended strand (participates in β ladder)trans-77.2138.7178.2-171.1174.470.2176.6-7111.7G61 K64R59-G61 PolarHBondContact O-N 3.03Å; R59-K64 WeakPolarHBondContact CD-O 3.3Å
60C98Very high94.9Very high2 Ų270 Ų701%0.01433%0.334CS..  trans-59.8122.2172.5-174.10000110.8Q62 K64 A66 Y68C60-Q62 PolarHBondContact O-N 2.96Å; C60-K64 VanDerWaalsContact O-CA 3.27Å; C60-K64 WeakPolarHBondContact O-CA 3.24Å; C60-K64 PolarHBondContact O-N 2.75Å; C60-A66 HydrophobicContact CB-CB 4.29Å; C60-A66 WeakPolarHBondContact CB-O 3.32Å; C60-A66 PolarHBondContact N-O 2.91Å; C60-Y68 HydrophobicContact CB-CE2 4.15Å
61G96.9Very high95.2Very high63 Ų6376.9 Ų76.965%0.64936%0.355SS*.THydrogen-bonded Turntrans-67.5-19.5-178.200000114.8R59R59-G61 PolarHBondContact O-N 3.03Å
62Q96.9Very high95.4Very high115 Ų11580.6 Ų80.654%0.53738%0.379SS..THydrogen-bonded Turntrans-88.3-58.6-176.2-68.8-61.5-31.900112.8C60C60-Q62 PolarHBondContact O-N 2.96Å
63C97.1Very high95.7Very high14 Ų1476.5 Ų76.510%0.09537%0.367CS..THydrogen-bonded Turntrans-87.4-17.6-178.765.50000113.5F65 H81 I88C63-F65 PolarHBondContact O-N 3.41Å; C63-F65 PolarHBondContact SG-N 3.45Å; C63-H81 VanDerWaalsContact SG-CE1 3.53Å; C63-H81 PolarHBondContact SG-NE2 3.01Å; C63-I88 HydrophobicContact CB-CB 4.32Å; C63-I88 HydrophobicContact CB-CG2 4.12Å
64K96.4Very high96Very high140 Ų14075.5 Ų75.561%0.60937%0.366SS*.SBendtrans55.816.5-173.9-54.8177.8-178.7175.30114.6R59 C60R59-K64 WeakPolarHBondContact CD-O 3.3Å; C60-K64 VanDerWaalsContact O-CA 3.27Å; C60-K64 WeakPolarHBondContact O-CA 3.24Å; C60-K64 PolarHBondContact O-N 2.75Å
65F96.9Very high96.4Very high19 Ų1981.1 Ų81.18%0.08338%0.384CS..  trans-108.1-59.2179.6168.1-114.6000112.1A43 H48 C63 H67 I88 V94A43-F65 HydrophobicContact CB-CE2 3.77Å; A43-F65 HydrophobicContact CB-CZ 4.38Å; H48-F65 AromaticContact CD2-CE1 3.88Å; H48-F65 AromaticContact NE2-CE1 3.49Å; H48-F65 WeakPolarHBondContact NE2-CE1 3.48Å; H48-F65 AromaticContact NE2-CE2 3.94Å; H48-F65 AromaticContact NE2-CZ 3.4Å; H48-F65 WeakPolarHBondContact NE2-CZ 3.36Å; C63-F65 PolarHBondContact O-N 3.41Å; C63-F65 PolarHBondContact SG-N 3.45Å; F65-H67 PolarHBondContact O-CE1 2.81Å; F65-H67 PolarHBondContact O-ND1 2.95Å; F65-I88 HydrophobicContact CB-CD1 4.17Å; F65-I88 HydrophobicContact CB-CG2 4.36Å; F65-I88 HydrophobicContact CD1-CD1 3.34Å; F65-I88 HydrophobicContact CE1-CD1 3.97Å; F65-I88 HydrophobicContact CG-CD1 3.95Å; F65-V94 HydrophobicContact CB-CG2 3.88Å; F65-V94 HydrophobicContact CD1-CG1 4.32Å; F65-V94 HydrophobicContact CD2-CB 4.25Å; F65-V94 HydrophobicContact CD2-CG1 3.67Å; F65-V94 HydrophobicContact CD2-CG2 3.58Å; F65-V94 HydrophobicContact CE1-CG1 4.16Å; F65-V94 HydrophobicContact CE2-CB 4.47Å; F65-V94 HydrophobicContact CE2-CG1 3.5Å; F65-V94 VanDerWaalsContact CE2-CG1 3.5Å; F65-V94 HydrophobicContact CE2-CG2 4.27Å; F65-V94 HydrophobicContact CG-CG1 4.08Å; F65-V94 HydrophobicContact CG-CG2 3.76Å; F65-V94 HydrophobicContact CZ-CG1 3.75Å
66A97.6Very high96.6Very high0 Ų075.2 Ų75.20%037%0.369CS..  trans-69.1137.8-173.700000112.2H48 C60 Y68 H81H48-A66 HydrophobicContact CB-CB 4.27Å; C60-A66 HydrophobicContact CB-CB 4.29Å; C60-A66 WeakPolarHBondContact CB-O 3.32Å; C60-A66 PolarHBondContact N-O 2.91Å; A66-Y68 HydrophobicContact CB-CE2 3.87Å; A66-Y68 WeakPolarHBondContact CB-OH 3.37Å; A66-H81 WeakPolarHBondContact CB-CE1 3.21Å
67H98Very high96.6Very high22 Ų2267.1 Ų67.110%0.10234%0.336CS..EExtended strand (participates in β ladder)trans-117.5141.4179.8-71.486.3000111.1A43 C47 H48 L57 F65A43-H67 PolarHBondContact O-ND1 3.28Å; C47-H67 CarbonylContact C-O 3.49Å; C47-H67 WeakPolarHBondContact CA-O 3.2Å; H48-H67 PolarHBondContact N-O 2.87Å; H48-H67 PolarHBondContact ND1-N 3.33Å; H48-H67 PolarHBondContact ND1-O 2.89Å; L57-H67 HydrophobicContact CB-CB 3.87Å; L57-H67 HydrophobicContact CD1-CB 3.81Å; L57-H67 HydrophobicContact CG-CB 4.44Å; F65-H67 PolarHBondContact O-CE1 2.81Å; F65-H67 PolarHBondContact O-ND1 2.95Å
68Y97.8Very high96.5Very high1 Ų170.8 Ų70.80%0.00435%0.348CS..EExtended strand (participates in β ladder)trans-132.9150.5-176.8-55.3-79.5000111.8H48 L57 Q58 C60 A66 D70 C73 Q74 H81H48-Y68 HydrophobicContact CB-CE1 4.25Å; L57-Y68 CarbonylContact C-O 3.49Å; L57-Y68 WeakPolarHBondContact CA-O 3.47Å; L57-Y68 WeakPolarHBondContact CD2-O 3.34Å; Q58-Y68 PolarHBondContact N-O 2.9Å; Q58-Y68 PolarHBondContact O-N 3.31Å; C60-Y68 HydrophobicContact CB-CE2 4.15Å; A66-Y68 HydrophobicContact CB-CE2 3.87Å; A66-Y68 WeakPolarHBondContact CB-OH 3.37Å; Y68-D70 VanDerWaalsContact C-N 3.25Å; Y68-D70 PolarHBondContact O-N 3.43Å; Y68-C73 HydrophobicContact CD1-CB 4.31Å; Y68-Q74 HydrophobicContact CD1-CB 4.19Å; Y68-Q74 HydrophobicContact CD2-CB 3.78Å; Y68-Q74 HydrophobicContact CD2-CG 3.78Å; Y68-Q74 HydrophobicContact CE2-CB 4.2Å; Y68-Q74 HydrophobicContact CE2-CG 3.78Å; Y68-Q74 HydrophobicContact CG-CB 3.76Å; Y68-Q74 HydrophobicContact CG-CG 4.27Å; Y68-H81 PolarHBondContact OH-CD2 3.19Å
69C95.8Very high96.2Very high19 Ų1968 Ų6813%0.12835%0.346CS..SBendtrans-56.1-46.8171.8-59.30000110.9C47 Q54 C73C47-C69 WeakPolarHBondContact CB-SG 3.12Å; Q54-C69 PolarHBondContact NE2-SG 2.9Å; Q54-C69 VanDerWaalsContact NE2-SG 3.37Å; Q54-C69 VanDerWaalsContact OE1-CA 3.29Å; C69-C73 HydrophobicContact CB-CB 4.34Å
70D96.3Very high95.8Very high69 Ų6963.7 Ų63.737%0.36933%0.332SS..SBendtrans-161.4-173.2-176.258.723.6000110.9Y68 T72 C73 Q74Y68-D70 VanDerWaalsContact C-N 3.25Å; Y68-D70 PolarHBondContact O-N 3.43Å; D70-T72 PolarHBondContact O-N 3.47Å; D70-T72 VanDerWaalsContact OD1-CA 3.29Å; D70-T72 WeakPolarHBondContact OD1-CA 3.1Å; D70-T72 WeakPolarHBondContact OD1-CB 3.35Å; D70-T72 PolarHBondContact OD1-N 3.41Å; D70-T72 PolarHBondContact OD1-OG1 3.15Å; D70-C73 PolarHBondContact O-N 3.25Å; D70-C73 PolarHBondContact OD1-N 3.33Å; D70-Q74 PolarHBondContact O-N 3.31Å
71R96.8Very high95.7Very high182 Ų18263.7 Ų63.769%0.68733%0.332SS*.Hα-helixtrans-63.6-23.3175.3-69.8-175.6177.4-178-0.4113.1R75R71-R75 WeakPolarHBondContact O-CB 3.23Å; R71-R75 VanDerWaalsContact O-CG 3.23Å; R71-R75 WeakPolarHBondContact O-CG 3.32Å; R71-R75 PolarHBondContact O-N 3.34Å
72T96.5Very high95.6Very high100 Ų10066.7 Ų66.761%0.61333%0.327SS*.Hα-helixtrans-69.4-51.1177.5-46.40000109.5D70 Q74 R75 A76D70-T72 PolarHBondContact O-N 3.47Å; D70-T72 VanDerWaalsContact OD1-CA 3.29Å; D70-T72 WeakPolarHBondContact OD1-CA 3.1Å; D70-T72 WeakPolarHBondContact OD1-CB 3.35Å; D70-T72 PolarHBondContact OD1-N 3.41Å; D70-T72 PolarHBondContact OD1-OG1 3.15Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; T72-Q74 PolarHBondContact O-N 3.03Å; T72-R75 PolarHBondContact O-N 3.22Å; T72-A76 WeakPolarHBondContact O-CB 3.45Å; T72-A76 PolarHBondContact O-N 3.06Å
73C96Very high95.6Very high21 Ų2164.7 Ų64.714%0.14232%0.318CS..Hα-helixtrans-63.1-37.8174.7-73.30000112S49 Y68 C69 D70 R75 A76 G77S49-C73 VanDerWaalsContact CB-O 3.29Å; S49-C73 WeakPolarHBondContact CB-O 3.46Å; S49-C73 PolarHBondContact OG-O 3.48Å; Y68-C73 HydrophobicContact CD1-CB 4.31Å; C69-C73 HydrophobicContact CB-CB 4.34Å; D70-C73 PolarHBondContact O-N 3.25Å; D70-C73 PolarHBondContact OD1-N 3.33Å; C73-R75 PolarHBondContact O-N 3.43Å; C73-A76 PolarHBondContact O-N 3.36Å; C73-G77 PolarHBondContact O-N 2.95Å
74Q97Very high95.6Very high63 Ų6364 Ų6429%0.29431%0.313SS..Hα-helixtrans-62.1-42.4175.8-173.2179.419.800112.2Y68 D70 T72 W78Y68-Q74 HydrophobicContact CD1-CB 4.19Å; Y68-Q74 HydrophobicContact CD2-CB 3.78Å; Y68-Q74 HydrophobicContact CD2-CG 3.78Å; Y68-Q74 HydrophobicContact CE2-CB 4.2Å; Y68-Q74 HydrophobicContact CE2-CG 3.78Å; Y68-Q74 HydrophobicContact CG-CB 3.76Å; Y68-Q74 HydrophobicContact CG-CG 4.27Å; D70-Q74 PolarHBondContact O-N 3.31Å; T72-Q74 VanDerWaalsContact C-N 3.32Å; T72-Q74 PolarHBondContact O-N 3.03Å; Q74-W78 PolarHBondContact O-N 3Å
75R96.7Very high95.7Very high194 Ų19457.6 Ų57.673%0.73229%0.286SS*.Hα-helixtrans-68.8-43.3177.2-74.5171.8-179.4-176.7-0.6111.7R71 T72 C73 G77 W78R71-R75 WeakPolarHBondContact O-CB 3.23Å; R71-R75 VanDerWaalsContact O-CG 3.23Å; R71-R75 WeakPolarHBondContact O-CG 3.32Å; R71-R75 PolarHBondContact O-N 3.34Å; T72-R75 PolarHBondContact O-N 3.22Å; C73-R75 PolarHBondContact O-N 3.43Å; R75-G77 VanDerWaalsContact C-N 3.35Å; R75-G77 PolarHBondContact O-N 3.2Å; R75-W78 WeakPolarHBondContact O-CB 3.36Å; R75-W78 PolarHBondContact O-N 3.21Å
76A93.7Very high95.7Very high73 Ų7360.6 Ų60.660%0.60331%0.309SS*.Hα-helixtrans-61.1-42.8178.400000111.9T72 C73 W78T72-A76 WeakPolarHBondContact O-CB 3.45Å; T72-A76 PolarHBondContact O-N 3.06Å; C73-A76 PolarHBondContact O-N 3.36Å; A76-W78 VanDerWaalsContact C-N 3.33Å; A76-W78 PolarHBondContact O-N 2.83Å
77G92.5Very high95.8Very high9 Ų960.7 Ų60.79%0.09331%0.31CS..THydrogen-bonded Turntrans-81.5-1.5178.100000115.4S49 C73 R75 A79 E80 H81S49-G77 PolarHBondContact OG-N 3.15Å; C73-G77 PolarHBondContact O-N 2.95Å; R75-G77 VanDerWaalsContact C-N 3.35Å; R75-G77 PolarHBondContact O-N 3.2Å; G77-A79 VanDerWaalsContact C-N 3.34Å; G77-A79 PolarHBondContact O-N 2.97Å; G77-E80 PolarHBondContact O-N 3.24Å; G77-H81 VanDerWaalsContact O-CB 3.24Å; G77-H81 WeakPolarHBondContact O-CB 3.37Å; G77-H81 PolarHBondContact O-N 3.43Å
78W95.5Very high95.8Very high108 Ų10859.9 Ų59.941%0.40931%0.306SS..Hα-helixtrans-66.6-34.5-171.6-176.9-116.3000113.3Q74 R75 A76 E80 H81 K82 C85Q74-W78 PolarHBondContact O-N 3Å; R75-W78 WeakPolarHBondContact O-CB 3.36Å; R75-W78 PolarHBondContact O-N 3.21Å; A76-W78 VanDerWaalsContact C-N 3.33Å; A76-W78 PolarHBondContact O-N 2.83Å; W78-E80 VanDerWaalsContact C-N 3.32Å; W78-E80 PolarHBondContact O-N 3.28Å; W78-H81 AromaticContact CZ3-CD2 3.86Å; W78-H81 PolarHBondContact O-N 2.86Å; W78-K82 HydrophobicContact CD2-CB 4.17Å; W78-K82 HydrophobicContact CH2-CB 4.38Å; W78-K82 HydrophobicContact CH2-CG 4.35Å; W78-K82 HydrophobicContact CZ2-CB 3.97Å; W78-K82 HydrophobicContact CZ2-CD 4.23Å; W78-K82 HydrophobicContact CZ2-CG 3.74Å; W78-K82 VanDerWaalsContact O-CB 3.23Å; W78-K82 WeakPolarHBondContact O-CB 3.4Å; W78-K82 PolarHBondContact O-N 2.78Å; W78-C85 HydrophobicContact CZ3-CB 4.37Å
79A90.9Very high95.7Very high65 Ų6565.7 Ų65.754%0.53733%0.332SS..Hα-helixtrans-58-45.8178.400000111.6G77G77-A79 VanDerWaalsContact C-N 3.34Å; G77-A79 PolarHBondContact O-N 2.97Å
80E88.2Confident95.8Very high59 Ų5969 Ų6928%0.27636%0.361SS..Hα-helixtrans-75.8-37.4177.5-61-64149.600112.1G77 W78 R108G77-E80 PolarHBondContact O-N 3.24Å; W78-E80 VanDerWaalsContact C-N 3.32Å; W78-E80 PolarHBondContact O-N 3.28Å; E80-R108 IonicContact OE1-CZ 3.9Å; E80-R108 IonicContact OE1-NH1 2.82Å; E80-R108 PolarHBondContact OE1-NH1 3.36Å
81H95.8Very high95.8Very high2 Ų268.3 Ų68.31%0.00935%0.353CS..Hα-helixtrans-81.7-25.8-173.9-177.954.9000114.1C63 A66 Y68 G77 W78 Q83 E84 C85C63-H81 VanDerWaalsContact SG-CE1 3.53Å; C63-H81 PolarHBondContact SG-NE2 3.01Å; A66-H81 WeakPolarHBondContact CB-CE1 3.21Å; Y68-H81 PolarHBondContact OH-CD2 3.19Å; G77-H81 VanDerWaalsContact O-CB 3.24Å; G77-H81 WeakPolarHBondContact O-CB 3.37Å; G77-H81 PolarHBondContact O-N 3.43Å; W78-H81 AromaticContact CZ3-CD2 3.86Å; W78-H81 PolarHBondContact O-N 2.86Å; H81-Q83 PolarHBondContact O-N 3.42Å; H81-E84 IonicContact CE1-OE2 3.63Å; H81-E84 IonicContact ND1-OE2 2.92Å; H81-E84 PolarHBondContact ND1-OE2 3.02Å; H81-E84 PolarHBondContact O-N 2.84Å; H81-C85 WeakPolarHBondContact NE2-CB 3.4Å; H81-C85 PolarHBondContact NE2-SG 2.95Å; H81-C85 VanDerWaalsContact NE2-SG 3.37Å; H81-C85 WeakPolarHBondContact O-CB 3.28Å; H81-C85 PolarHBondContact O-N 3.34Å
82K95.9Very high95.8Very high126 Ų12663 Ų6355%0.54836%0.355SS..Hα-helixtrans-54.3-47.1-167.7176.2178.6176.3-172.30113.5W78 S86W78-K82 HydrophobicContact CD2-CB 4.17Å; W78-K82 HydrophobicContact CH2-CB 4.38Å; W78-K82 HydrophobicContact CH2-CG 4.35Å; W78-K82 HydrophobicContact CZ2-CB 3.97Å; W78-K82 HydrophobicContact CZ2-CD 4.23Å; W78-K82 HydrophobicContact CZ2-CG 3.74Å; W78-K82 VanDerWaalsContact O-CB 3.23Å; W78-K82 WeakPolarHBondContact O-CB 3.4Å; W78-K82 PolarHBondContact O-N 2.78Å; K82-S86 PolarHBondContact O-N 3.42Å
83Q96.7Very high95.8Very high73 Ų7363.8 Ų63.834%0.34135%0.35SS..Hα-helixtrans-71-47-179.8-77.4161.5-64.400111.3H81 C85 S86 A87 W107H81-Q83 PolarHBondContact O-N 3.42Å; Q83-C85 VanDerWaalsContact C-N 3.28Å; Q83-C85 PolarHBondContact O-N 2.86Å; Q83-S86 PolarHBondContact O-N 2.88Å; Q83-A87 WeakPolarHBondContact O-CB 3.29Å; Q83-A87 PolarHBondContact O-N 2.94Å; Q83-W107 HydrophobicContact CB-CD2 3.49Å; Q83-W107 VanDerWaalsContact CB-CD2 3.49Å; Q83-W107 HydrophobicContact CB-CE3 3.64Å; Q83-W107 HydrophobicContact CB-CG 3.94Å; Q83-W107 HydrophobicContact CB-CH2 4.36Å; Q83-W107 HydrophobicContact CB-CZ2 4.19Å; Q83-W107 HydrophobicContact CB-CZ3 4.1Å; Q83-W107 VanDerWaalsContact CD-CG 3.49Å; Q83-W107 HydrophobicContact CG-CD2 4.27Å; Q83-W107 HydrophobicContact CG-CG 4.22Å; Q83-W107 VanDerWaalsContact NE2-CD1 3.26Å
84E97.3Very high95.8Very high0 Ų065.6 Ų65.60%036%0.36CS..Hα-helixtrans-56.1-41.4174.6-176.2-167.4-114.300112.1H81 S86 A87 I88 R104 W107H81-E84 IonicContact CE1-OE2 3.63Å; H81-E84 IonicContact ND1-OE2 2.92Å; H81-E84 PolarHBondContact ND1-OE2 3.02Å; H81-E84 PolarHBondContact O-N 2.84Å; E84-S86 PolarHBondContact O-N 2.64Å; E84-A87 PolarHBondContact O-N 2.82Å; E84-I88 HydrophobicContact CG-CD1 3.73Å; E84-I88 HydrophobicContact CG-CG1 4.25Å; E84-I88 WeakPolarHBondContact O-CB 3.16Å; E84-I88 VanDerWaalsContact O-CG1 3.32Å; E84-I88 WeakPolarHBondContact O-CG1 3.26Å; E84-I88 PolarHBondContact O-N 3.03Å; E84-R104 VanDerWaalsContact CD-NH2 3.27Å; E84-R104 IonicContact OE1-CZ 2.76Å; E84-R104 IonicContact OE1-NE 3.22Å; E84-R104 PolarHBondContact OE1-NE 2.72Å; E84-R104 IonicContact OE1-NH2 3.73Å; E84-R104 PolarHBondContact OE1-NH2 2.89Å; E84-R104 VanDerWaalsContact OE1-NH2 3.13Å; E84-R104 IonicContact OE2-CZ 3.2Å; E84-R104 IonicContact OE2-NE 2.76Å; E84-R104 IonicContact OE2-NH2 3.67Å; E84-R104 PolarHBondContact OE2-NH2 2.71Å; E84-W107 HydrophobicContact CB-CH2 4.43Å; E84-W107 HydrophobicContact CB-CZ3 3.84Å
85C98.2Very high95.8Very high5 Ų563.1 Ų63.13%0.03435%0.349CS..Hα-helixtrans-58.3-48.5179.2-1680000111.6W78 H81 Q83 K89W78-C85 HydrophobicContact CZ3-CB 4.37Å; H81-C85 WeakPolarHBondContact NE2-CB 3.4Å; H81-C85 PolarHBondContact NE2-SG 2.95Å; H81-C85 VanDerWaalsContact NE2-SG 3.37Å; H81-C85 WeakPolarHBondContact O-CB 3.28Å; H81-C85 PolarHBondContact O-N 3.34Å; Q83-C85 VanDerWaalsContact C-N 3.28Å; Q83-C85 PolarHBondContact O-N 2.86Å; C85-K89 WeakPolarHBondContact O-CB 3.19Å; C85-K89 PolarHBondContact O-N 3.37Å
86S97.7Very high95.7Very high81 Ų8156 Ų5657%0.56633%0.326SS*.Hα-helixtrans-69.1-41178.3-169.30000111.3K82 Q83 E84 K89 A90K82-S86 PolarHBondContact O-N 3.42Å; Q83-S86 PolarHBondContact O-N 2.88Å; E84-S86 PolarHBondContact O-N 2.64Å; S86-K89 PolarHBondContact O-N 2.82Å; S86-A90 WeakPolarHBondContact O-CB 3.29Å; S86-A90 PolarHBondContact O-N 3.1Å
87A97.9Very high95.8Very high2 Ų254.9 Ų54.92%0.01731%0.308CS..Hα-helixtrans-64.5-47.6179.900000111.8Q83 E84 K89 A90 Y91 W107 Y152 P154Q83-A87 WeakPolarHBondContact O-CB 3.29Å; Q83-A87 PolarHBondContact O-N 2.94Å; E84-A87 PolarHBondContact O-N 2.82Å; A87-K89 VanDerWaalsContact C-N 3.3Å; A87-K89 PolarHBondContact O-N 2.72Å; A87-A90 PolarHBondContact O-N 2.82Å; A87-Y91 VanDerWaalsContact O-CB 3.24Å; A87-Y91 WeakPolarHBondContact O-CB 3.14Å; A87-Y91 PolarHBondContact O-N 3.38Å; A87-W107 HydrophobicContact CB-CH2 3.71Å; A87-W107 HydrophobicContact CB-CZ2 3.91Å; A87-Y152 HydrophobicContact CB-CE1 4.38Å; A87-Y152 HydrophobicContact CB-CE2 3.69Å; A87-Y152 WeakPolarHBondContact CB-OH 3.39Å; A87-P154 HydrophobicContact CB-CG 3.71Å
88I97.9Very high95.9Very high6 Ų656.6 Ų56.63%0.03132%0.315CS..Hα-helixtrans-58.5-43.9175.5-71.7174.5000110.7C63 F65 E84 A90 G92 V94 Y152C63-I88 HydrophobicContact CB-CB 4.32Å; C63-I88 HydrophobicContact CB-CG2 4.12Å; F65-I88 HydrophobicContact CB-CD1 4.17Å; F65-I88 HydrophobicContact CB-CG2 4.36Å; F65-I88 HydrophobicContact CD1-CD1 3.34Å; F65-I88 HydrophobicContact CE1-CD1 3.97Å; F65-I88 HydrophobicContact CG-CD1 3.95Å; E84-I88 HydrophobicContact CG-CD1 3.73Å; E84-I88 HydrophobicContact CG-CG1 4.25Å; E84-I88 WeakPolarHBondContact O-CB 3.16Å; E84-I88 VanDerWaalsContact O-CG1 3.32Å; E84-I88 WeakPolarHBondContact O-CG1 3.26Å; E84-I88 PolarHBondContact O-N 3.03Å; I88-A90 PolarHBondContact O-N 2.83Å; I88-G92 PolarHBondContact O-N 3.42Å; I88-V94 HydrophobicContact CD1-CG1 4.48Å; I88-V94 HydrophobicContact CG2-CG2 4.04Å; I88-Y152 HydrophobicContact CG1-CE2 3.98Å
89K97.3Very high96Very high123 Ų12351.6 Ų51.654%0.53530%0.296SS..Hα-helixtrans-64.3-40.4179.2-174179.5-179.3-178.20112.2C85 S86 A87C85-K89 WeakPolarHBondContact O-CB 3.19Å; C85-K89 PolarHBondContact O-N 3.37Å; S86-K89 PolarHBondContact O-N 2.82Å; A87-K89 VanDerWaalsContact C-N 3.3Å; A87-K89 PolarHBondContact O-N 2.72Å
90A97.1Very high96.4Very high89 Ų8948.5 Ų48.574%0.73627%0.271SS*.Hα-helixtrans-73-39.4179.400000112.4S86 A87 I88 G92S86-A90 WeakPolarHBondContact O-CB 3.29Å; S86-A90 PolarHBondContact O-N 3.1Å; A87-A90 PolarHBondContact O-N 2.82Å; I88-A90 PolarHBondContact O-N 2.83Å; A90-G92 VanDerWaalsContact C-N 3.35Å
91Y97.2Very high96.8Very high53 Ų5345.7 Ų45.721%0.20826%0.258CS..Hα-helixtrans-73.2-27.8179.2-170.6-132.5000112.8A87 K93 D151 Y152A87-Y91 VanDerWaalsContact O-CB 3.24Å; A87-Y91 WeakPolarHBondContact O-CB 3.14Å; A87-Y91 PolarHBondContact O-N 3.38Å; Y91-K93 HydrophobicContact CD1-CD 4.44Å; Y91-K93 HydrophobicContact CD1-CG 3.46Å; Y91-K93 VanDerWaalsContact CD1-CG 3.46Å; Y91-K93 WeakPolarHBondContact CD1-O 3.44Å; Y91-K93 HydrophobicContact CE1-CD 3.85Å; Y91-K93 HydrophobicContact CE1-CG 3.33Å; Y91-K93 HydrophobicContact CG-CG 4.35Å; Y91-K93 PolarHBondContact O-N 3.46Å; Y91-K93 WeakPolarHBondContact OH-CE 3.35Å; Y91-K93 PolarHBondContact OH-NZ 2.64Å; Y91-D151 WeakPolarHBondContact CD2-O 3.43Å; Y91-D151 HydrophobicContact CE2-CB 3.88Å; Y91-D151 VanDerWaalsContact CE2-O 3.28Å; Y91-D151 WeakPolarHBondContact CE2-O 3.39Å; Y91-Y152 AromaticContact CD1-CD2 3.56Å; Y91-Y152 HydrophobicContact CD1-CD2 3.56Å; Y91-Y152 HydrophobicContact CD1-CE2 4.45Å; Y91-Y152 HydrophobicContact CD1-CG 4.34Å; Y91-Y152 HydrophobicContact CE1-CD2 4.19Å; Y91-Y152 AromaticContact CG-CD2 3.84Å; Y91-Y152 HydrophobicContact CG-CD2 3.84Å
92G96.4Very high96.9Very high70 Ų7045.6 Ų45.672%0.72226%0.257SS*.SBendtrans81.8-6.1175.800000114.8I88 A90I88-G92 PolarHBondContact O-N 3.42Å; A90-G92 VanDerWaalsContact C-N 3.35Å
93K95.3Very high96.9Very high117 Ų11739.6 Ų39.651%0.50923%0.231SC..SBendtrans-137.4164.9171.765.9179.6-179.4175.90111.1Y91Y91-K93 HydrophobicContact CD1-CD 4.44Å; Y91-K93 HydrophobicContact CD1-CG 3.46Å; Y91-K93 VanDerWaalsContact CD1-CG 3.46Å; Y91-K93 WeakPolarHBondContact CD1-O 3.44Å; Y91-K93 HydrophobicContact CE1-CD 3.85Å; Y91-K93 HydrophobicContact CE1-CG 3.33Å; Y91-K93 HydrophobicContact CG-CG 4.35Å; Y91-K93 PolarHBondContact O-N 3.46Å; Y91-K93 WeakPolarHBondContact OH-CE 3.35Å; Y91-K93 PolarHBondContact OH-NZ 2.64Å
94V96.6Very high96.9Very high60 Ų6036.8 Ų36.836%0.36422%0.217SC..PPolyproline II helixtrans-94124.1175.4-1780000107.9F65 I88F65-V94 HydrophobicContact CB-CG2 3.88Å; F65-V94 HydrophobicContact CD1-CG1 4.32Å; F65-V94 HydrophobicContact CD2-CB 4.25Å; F65-V94 HydrophobicContact CD2-CG1 3.67Å; F65-V94 HydrophobicContact CD2-CG2 3.58Å; F65-V94 HydrophobicContact CE1-CG1 4.16Å; F65-V94 HydrophobicContact CE2-CB 4.47Å; F65-V94 HydrophobicContact CE2-CG1 3.5Å; F65-V94 VanDerWaalsContact CE2-CG1 3.5Å; F65-V94 HydrophobicContact CE2-CG2 4.27Å; F65-V94 HydrophobicContact CG-CG1 4.08Å; F65-V94 HydrophobicContact CG-CG2 3.76Å; F65-V94 HydrophobicContact CZ-CG1 3.75Å; I88-V94 HydrophobicContact CD1-CG1 4.48Å; I88-V94 HydrophobicContact CG2-CG2 4.04Å
95P96.6Very high96.8Very high10 Ų1036.8 Ų36.87%0.06522%0.217CC..PPolyproline II helixtrans-78.2165.917333.1-32.8000111.2I99 R100 Y152P95-I99 HydrophobicContact CB-CB 3.9Å; P95-I99 HydrophobicContact CB-CD1 4.13Å; P95-I99 HydrophobicContact CB-CG2 3.56Å; P95-I99 HydrophobicContact CG-CB 4.46Å; P95-I99 HydrophobicContact CG-CG2 3.88Å; P95-R100 HydrophobicContact CG-CG 3.76Å; P95-R100 WeakPolarHBondContact O-CD 3.44Å; P95-R100 PolarHBondContact O-NE 3.03Å; P95-Y152 HydrophobicContact CB-CG 4.37Å; P95-Y152 HydrophobicContact CG-CD1 3.9Å; P95-Y152 HydrophobicContact CG-CD2 3.76Å; P95-Y152 HydrophobicContact CG-CE1 3.91Å; P95-Y152 HydrophobicContact CG-CE2 3.77Å; P95-Y152 HydrophobicContact CG-CG 3.82Å
96N95.4Very high96.7Very high45 Ų4536.8 Ų36.824%0.24122%0.217CC..PPolyproline II helixtrans-60.8163.3-179.169.133.4000112.7D40 N98 I99 R100 D145D40-N96 WeakPolarHBondContact OD2-CA 3.29Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.23Å; N96-N98 PolarHBondContact OD1-N 3.27Å; N96-I99 PolarHBondContact O-N 3.39Å; N96-I99 WeakPolarHBondContact OD1-CB 3.44Å; N96-I99 VanDerWaalsContact OD1-CG1 3.26Å; N96-I99 WeakPolarHBondContact OD1-CG1 3.47Å; N96-I99 PolarHBondContact OD1-N 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.38Å; N96-R100 PolarHBondContact O-N 2.89Å; N96-D145 PolarHBondContact ND2-OD1 3.41Å
97E95.6Very high96.6Very high50 Ų5033.1 Ų33.123%0.23419%0.191CC..Hα-helixtrans-52.1-40.4178.947.9-98.5-152.600114.6V37 F39 D40 R100 L101V37-E97 HydrophobicContact CG2-CB 4.12Å; F39-E97 HydrophobicContact CD1-CB 4.46Å; F39-E97 HydrophobicContact CD1-CG 4.1Å; D40-E97 VanDerWaalsContact CB-OE2 3.3Å; D40-E97 WeakPolarHBondContact CB-OE2 3.41Å; D40-E97 PolarHBondContact N-OE2 3.48Å; D40-E97 VanDerWaalsContact OD2-OE2 3.12Å; E97-R100 VanDerWaalsContact CA-NH2 3.34Å; E97-R100 PolarHBondContact O-N 3.14Å; E97-R100 IonicContact OE2-NH2 3.78Å; E97-L101 WeakPolarHBondContact O-CB 3.27Å; E97-L101 PolarHBondContact O-N 3.41Å
98N95.4Very high96.3Very high44 Ų4434.8 Ų34.824%0.23520%0.197CC..Hα-helixtrans-64.9-49.1-178-69.3-14000110.9N96 R100 L101 V102 F169N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.23Å; N96-N98 PolarHBondContact OD1-N 3.27Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 3.32Å; N98-L101 PolarHBondContact O-N 2.91Å; N98-L101 VanDerWaalsContact O-N 3.12Å; N98-V102 VanDerWaalsContact O-CG2 3.32Å; N98-V102 WeakPolarHBondContact O-CG2 3.14Å; N98-V102 PolarHBondContact O-N 3.13Å; N98-F169 HydrophobicContact CB-CD1 4.43Å; N98-F169 HydrophobicContact CB-CE1 3.98Å
99I97.5Very high96Very high3 Ų336.7 Ų36.72%0.01521%0.206CC..Hα-helixtrans-59.6-41.1175.7-66.5163.8000110.7P95 N96 S103 N148 F149 Y152 F169P95-I99 HydrophobicContact CB-CB 3.9Å; P95-I99 HydrophobicContact CB-CD1 4.13Å; P95-I99 HydrophobicContact CB-CG2 3.56Å; P95-I99 HydrophobicContact CG-CB 4.46Å; P95-I99 HydrophobicContact CG-CG2 3.88Å; N96-I99 PolarHBondContact O-N 3.39Å; N96-I99 WeakPolarHBondContact OD1-CB 3.44Å; N96-I99 VanDerWaalsContact OD1-CG1 3.26Å; N96-I99 WeakPolarHBondContact OD1-CG1 3.47Å; N96-I99 PolarHBondContact OD1-N 3.29Å; I99-S103 VanDerWaalsContact O-CB 3.28Å; I99-S103 WeakPolarHBondContact O-CB 3.46Å; I99-S103 PolarHBondContact O-N 3.41Å; I99-S103 PolarHBondContact O-OG 2.88Å; I99-N148 HydrophobicContact CD1-CB 3.45Å; I99-N148 VanDerWaalsContact CD1-CB 3.45Å; I99-F149 HydrophobicContact CG1-CB 4.41Å; I99-F149 HydrophobicContact CG2-CB 4.23Å; I99-F149 HydrophobicContact CG2-CD2 4.18Å; I99-Y152 HydrophobicContact CG2-CD1 3.79Å; I99-Y152 HydrophobicContact CG2-CE1 4.48Å; I99-Y152 HydrophobicContact CG2-CG 4.34Å; I99-F169 HydrophobicContact CG1-CE1 4.4Å; I99-F169 HydrophobicContact CG1-CZ 3.97Å
100R97.8Very high95.8Very high0 Ų033.3 Ų33.30%019%0.194CC..Hα-helixtrans-62.9-43.1176.1-70.2-173.9-72.6107.4-3.1111.4V37 V38 D40 P95 N96 E97 N98 S103 R104V37-R100 HydrophobicContact CG1-CB 4.09Å; V38-R100 PolarHBondContact O-NH1 3.32Å; V38-R100 PolarHBondContact O-NH2 2.91Å; D40-R100 IonicContact OD1-CZ 3.69Å; D40-R100 IonicContact OD1-NE 3.13Å; D40-R100 IonicContact OD1-NH2 2.78Å; D40-R100 PolarHBondContact OD1-NH2 2.96Å; P95-R100 HydrophobicContact CG-CG 3.76Å; P95-R100 WeakPolarHBondContact O-CD 3.44Å; P95-R100 PolarHBondContact O-NE 3.03Å; N96-R100 WeakPolarHBondContact O-CG 3.38Å; N96-R100 PolarHBondContact O-N 2.89Å; E97-R100 VanDerWaalsContact CA-NH2 3.34Å; E97-R100 PolarHBondContact O-N 3.14Å; E97-R100 IonicContact OE2-NH2 3.78Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 3.32Å; R100-S103 PolarHBondContact O-N 3.41Å; R100-R104 WeakPolarHBondContact O-CG 3.5Å; R100-R104 PolarHBondContact O-N 3.3Å
101L97.1Very high95.4Very high0 Ų035.5 Ų35.50%019%0.187CC..Hα-helixtrans-67.3-48.6179.9-175.854.8000111.8S35 V37 E97 N98 S103 R104 I105 I172 V190S35-L101 WeakPolarHBondContact OG-CD1 3.39Å; V37-L101 HydrophobicContact CG1-CB 4.08Å; V37-L101 HydrophobicContact CG1-CD1 4.23Å; V37-L101 HydrophobicContact CG2-CB 3.81Å; V37-L101 HydrophobicContact CG2-CD1 4.47Å; V37-L101 HydrophobicContact CG2-CG 4.48Å; E97-L101 WeakPolarHBondContact O-CB 3.27Å; E97-L101 PolarHBondContact O-N 3.41Å; N98-L101 PolarHBondContact O-N 2.91Å; N98-L101 VanDerWaalsContact O-N 3.12Å; L101-S103 VanDerWaalsContact C-N 3.25Å; L101-S103 PolarHBondContact O-N 2.8Å; L101-R104 PolarHBondContact O-N 3.26Å; L101-I105 HydrophobicContact CD1-CD1 4.03Å; L101-I105 HydrophobicContact CD1-CG1 4.3Å; L101-I105 HydrophobicContact CG-CD1 3.97Å; L101-I105 WeakPolarHBondContact O-CG1 3.36Å; L101-I105 PolarHBondContact O-N 3.2Å; L101-I172 HydrophobicContact CB-CD1 4.13Å; L101-I172 HydrophobicContact CD2-CB 4.49Å; L101-I172 HydrophobicContact CD2-CD1 4.05Å; L101-I172 HydrophobicContact CD2-CG1 4Å; L101-I172 HydrophobicContact CD2-CG2 3.66Å; L101-I172 HydrophobicContact CG-CD1 3.78Å; L101-I172 HydrophobicContact CG-CG1 4.19Å; L101-V190 HydrophobicContact CD2-CG1 3.93Å; L101-V190 HydrophobicContact CD2-CG2 4.19Å
102V97.1Very high94.9Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-52.7-47.9173.4173.60000109.9N98 R104 I105 M106 F149 I168 F169 I172N98-V102 VanDerWaalsContact O-CG2 3.32Å; N98-V102 WeakPolarHBondContact O-CG2 3.14Å; N98-V102 PolarHBondContact O-N 3.13Å; V102-R104 PolarHBondContact O-N 2.99Å; V102-I105 PolarHBondContact O-N 3.27Å; V102-M106 HydrophobicContact CG1-CE 4.01Å; V102-M106 HydrophobicContact CG1-CG 4.29Å; V102-M106 HydrophobicContact CG1-SD 4.03Å; V102-M106 WeakPolarHBondContact O-CG 3.36Å; V102-M106 PolarHBondContact O-N 2.87Å; V102-F149 HydrophobicContact CB-CD2 4.4Å; V102-F149 HydrophobicContact CB-CE2 4.42Å; V102-F149 HydrophobicContact CG1-CD2 3.91Å; V102-F149 HydrophobicContact CG1-CE2 3.69Å; V102-F149 HydrophobicContact CG1-CZ 4.33Å; V102-I168 HydrophobicContact CB-CG2 4.33Å; V102-I168 HydrophobicContact CG1-CB 4.42Å; V102-I168 HydrophobicContact CG1-CG2 4.01Å; V102-I168 HydrophobicContact CG2-CG2 4.15Å; V102-F169 HydrophobicContact CB-CE2 4.44Å; V102-F169 HydrophobicContact CB-CZ 4.44Å; V102-F169 HydrophobicContact CG1-CD2 4.45Å; V102-F169 HydrophobicContact CG1-CE2 4.22Å; V102-F169 HydrophobicContact CG2-CD1 3.73Å; V102-F169 HydrophobicContact CG2-CD2 3.89Å; V102-F169 HydrophobicContact CG2-CE1 3.74Å; V102-F169 HydrophobicContact CG2-CE2 3.89Å; V102-F169 HydrophobicContact CG2-CG 3.8Å; V102-F169 HydrophobicContact CG2-CZ 3.81Å; V102-I172 HydrophobicContact CB-CD1 4.23Å; V102-I172 HydrophobicContact CG2-CD1 3.37Å
103S97.6Very high94.4Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-62-44.5-178-58.10000112.4I99 R100 L101 M106 W107 F149 Y152I99-S103 VanDerWaalsContact O-CB 3.28Å; I99-S103 WeakPolarHBondContact O-CB 3.46Å; I99-S103 PolarHBondContact O-N 3.41Å; I99-S103 PolarHBondContact O-OG 2.88Å; R100-S103 PolarHBondContact O-N 3.41Å; L101-S103 VanDerWaalsContact C-N 3.25Å; L101-S103 PolarHBondContact O-N 2.8Å; S103-M106 PolarHBondContact O-N 3.34Å; S103-W107 VanDerWaalsContact C-CE3 3.47Å; S103-W107 WeakPolarHBondContact O-CB 3.45Å; S103-W107 VanDerWaalsContact O-CD2 3.22Å; S103-W107 PolarHBondContact O-N 3.26Å; S103-F149 WeakPolarHBondContact OG-CE2 3.3Å; S103-Y152 WeakPolarHBondContact OG-CD1 3.35Å; S103-Y152 VanDerWaalsContact OG-CE1 3.28Å; S103-Y152 WeakPolarHBondContact OG-CE1 3.35Å
104R96.3Very high93.5Very high14 Ų1431.2 Ų31.25%0.05316%0.162CC..Hα-helixtrans-62.4-42.9175.8-72.1-176.7-178-151.7-5.7112.1S35 A36 E84 R100 L101 V102 R108S35-R104 WeakPolarHBondContact OG-CB 3.13Å; A36-R104 PolarHBondContact O-NH1 3.44Å; E84-R104 VanDerWaalsContact CD-NH2 3.27Å; E84-R104 IonicContact OE1-CZ 2.76Å; E84-R104 IonicContact OE1-NE 3.22Å; E84-R104 PolarHBondContact OE1-NE 2.72Å; E84-R104 IonicContact OE1-NH2 3.73Å; E84-R104 PolarHBondContact OE1-NH2 2.89Å; E84-R104 VanDerWaalsContact OE1-NH2 3.13Å; E84-R104 IonicContact OE2-CZ 3.2Å; E84-R104 IonicContact OE2-NE 2.76Å; E84-R104 IonicContact OE2-NH2 3.67Å; E84-R104 PolarHBondContact OE2-NH2 2.71Å; R100-R104 WeakPolarHBondContact O-CG 3.5Å; R100-R104 PolarHBondContact O-N 3.3Å; L101-R104 PolarHBondContact O-N 3.26Å; V102-R104 PolarHBondContact O-N 2.99Å; R104-R108 WeakPolarHBondContact O-CB 3.46Å; R104-R108 PolarHBondContact O-N 3.39Å
105I95.3Very high92.7Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-61.9-49.5177.4-72.5171.1000110.5L34 L101 V102 W107 R108 I109 L124 I168 I172 L192L34-I105 HydrophobicContact CD2-CG1 4.35Å; L34-I105 HydrophobicContact CD2-CG2 4.34Å; L101-I105 HydrophobicContact CD1-CD1 4.03Å; L101-I105 HydrophobicContact CD1-CG1 4.3Å; L101-I105 HydrophobicContact CG-CD1 3.97Å; L101-I105 WeakPolarHBondContact O-CG1 3.36Å; L101-I105 PolarHBondContact O-N 3.2Å; V102-I105 PolarHBondContact O-N 3.27Å; I105-W107 PolarHBondContact O-N 3.12Å; I105-R108 WeakPolarHBondContact O-CB 3.46Å; I105-R108 PolarHBondContact O-N 2.91Å; I105-R108 VanDerWaalsContact O-N 3.14Å; I105-I109 HydrophobicContact CG2-CD1 3.72Å; I105-I109 HydrophobicContact CG2-CG1 4.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 2.68Å; I105-L124 HydrophobicContact CG2-CD1 3.47Å; I105-L124 VanDerWaalsContact CG2-CD1 3.47Å; I105-I168 HydrophobicContact CB-CG2 4.36Å; I105-I168 HydrophobicContact CG2-CD1 4.4Å; I105-I168 HydrophobicContact CG2-CG2 3.98Å; I105-I172 HydrophobicContact CD1-CD1 3.92Å; I105-I172 HydrophobicContact CD1-CG1 3.96Å; I105-L192 HydrophobicContact CD1-CB 4.38Å; I105-L192 HydrophobicContact CD1-CD2 3.81Å
106M95.2Very high91.7Very high5 Ų534.5 Ų34.53%0.02518%0.178CC..Hα-helixtrans-63.1-44.6-179.5-72.1-169.2165.900112.8V102 S103 R108 I109 D110 F149 W153 I165 I168V102-M106 HydrophobicContact CG1-CE 4.01Å; V102-M106 HydrophobicContact CG1-CG 4.29Å; V102-M106 HydrophobicContact CG1-SD 4.03Å; V102-M106 WeakPolarHBondContact O-CG 3.36Å; V102-M106 PolarHBondContact O-N 2.87Å; S103-M106 PolarHBondContact O-N 3.34Å; M106-R108 PolarHBondContact O-N 3.19Å; M106-I109 PolarHBondContact O-N 3.11Å; M106-D110 WeakPolarHBondContact O-CB 3.4Å; M106-D110 PolarHBondContact O-N 2.74Å; M106-F149 HydrophobicContact SD-CE1 4.16Å; M106-F149 HydrophobicContact SD-CE2 4.1Å; M106-F149 HydrophobicContact SD-CZ 3.44Å; M106-F149 WeakPolarHBondContact SD-CZ 3.21Å; M106-W153 HydrophobicContact CB-CH2 3.51Å; M106-W153 HydrophobicContact CB-CZ2 4.25Å; M106-W153 HydrophobicContact CB-CZ3 4.06Å; M106-I165 VanDerWaalsContact CE-CA 3.45Å; M106-I165 HydrophobicContact CE-CB 4.01Å; M106-I165 HydrophobicContact CE-CG1 3.65Å; M106-I165 HydrophobicContact CE-CG2 4.42Å; M106-I165 HydrophobicContact SD-CG1 4.29Å; M106-I168 HydrophobicContact CE-CB 4.13Å; M106-I168 HydrophobicContact CE-CG1 3.87Å
107W95.6Very high91Very high5 Ų534.8 Ų34.82%0.01918%0.183CC..Hα-helixtrans-59.7-36174.8-79.2-36.6000112.8Q83 E84 A87 S103 I105 K111 Y152 W153 P154 S157Q83-W107 HydrophobicContact CB-CD2 3.49Å; Q83-W107 VanDerWaalsContact CB-CD2 3.49Å; Q83-W107 HydrophobicContact CB-CE3 3.64Å; Q83-W107 HydrophobicContact CB-CG 3.94Å; Q83-W107 HydrophobicContact CB-CH2 4.36Å; Q83-W107 HydrophobicContact CB-CZ2 4.19Å; Q83-W107 HydrophobicContact CB-CZ3 4.1Å; Q83-W107 VanDerWaalsContact CD-CG 3.49Å; Q83-W107 HydrophobicContact CG-CD2 4.27Å; Q83-W107 HydrophobicContact CG-CG 4.22Å; Q83-W107 VanDerWaalsContact NE2-CD1 3.26Å; E84-W107 HydrophobicContact CB-CH2 4.43Å; E84-W107 HydrophobicContact CB-CZ3 3.84Å; A87-W107 HydrophobicContact CB-CH2 3.71Å; A87-W107 HydrophobicContact CB-CZ2 3.91Å; S103-W107 VanDerWaalsContact C-CE3 3.47Å; S103-W107 WeakPolarHBondContact O-CB 3.45Å; S103-W107 VanDerWaalsContact O-CD2 3.22Å; S103-W107 PolarHBondContact O-N 3.26Å; I105-W107 PolarHBondContact O-N 3.12Å; W107-K111 WeakPolarHBondContact O-CB 3.49Å; W107-K111 PolarHBondContact O-N 2.88Å; W107-Y152 AromaticContact CH2-CE1 3.93Å; W107-Y152 HydrophobicContact CH2-CE1 3.93Å; W107-W153 AromaticContact CD1-CH2 3.31Å; W107-W153 AromaticContact CD1-CZ2 3.97Å; W107-W153 AromaticContact CD1-CZ3 3.8Å; W107-W153 HydrophobicContact CD2-CH2 4.14Å; W107-W153 AromaticContact CD2-CZ3 3.9Å; W107-W153 HydrophobicContact CD2-CZ3 3.9Å; W107-W153 AromaticContact CE2-CH2 3.84Å; W107-W153 AromaticContact CE2-CZ3 3.46Å; W107-W153 VanDerWaalsContact CE2-CZ3 3.46Å; W107-W153 AromaticContact CG-CH2 3.83Å; W107-W153 HydrophobicContact CG-CH2 3.83Å; W107-W153 HydrophobicContact CG-CZ3 4.09Å; W107-W153 HydrophobicContact CZ2-CE3 4.09Å; W107-W153 AromaticContact CZ2-CZ3 3.86Å; W107-W153 HydrophobicContact CZ2-CZ3 3.86Å; W107-W153 AromaticContact NE1-CH2 3.32Å; W107-W153 VanDerWaalsContact NE1-CH2 3.32Å; W107-W153 AromaticContact NE1-CZ2 3.88Å; W107-W153 AromaticContact NE1-CZ3 3.43Å; W107-P154 HydrophobicContact CZ2-CG 4.02Å; W107-S157 PolarHBondContact NE1-OG 2.97Å; W107-S157 VanDerWaalsContact NE1-OG 3.15Å
108R92.6Very high90.4Very high37 Ų3740.7 Ų40.714%0.1422%0.217CC..Hα-helixtrans-68-49.5175-175.3177.9-173.6118.320.1111.4L34 E80 R104 I105 M106 D110 K111 E112L34-R108 WeakPolarHBondContact O-CD 3.44Å; L34-R108 PolarHBondContact O-NE 3.21Å; L34-R108 PolarHBondContact O-NH1 2.93Å; E80-R108 IonicContact OE1-CZ 3.9Å; E80-R108 IonicContact OE1-NH1 2.82Å; E80-R108 PolarHBondContact OE1-NH1 3.36Å; R104-R108 WeakPolarHBondContact O-CB 3.46Å; R104-R108 PolarHBondContact O-N 3.39Å; I105-R108 WeakPolarHBondContact O-CB 3.46Å; I105-R108 PolarHBondContact O-N 2.91Å; I105-R108 VanDerWaalsContact O-N 3.14Å; M106-R108 PolarHBondContact O-N 3.19Å; R108-D110 VanDerWaalsContact C-N 3.27Å; R108-D110 PolarHBondContact O-N 2.93Å; R108-K111 PolarHBondContact O-N 2.92Å; R108-E112 IonicContact CZ-OE2 3.62Å; R108-E112 IonicContact NE-OE2 3.44Å; R108-E112 IonicContact NH2-OE2 2.74Å; R108-E112 PolarHBondContact O-N 3.01Å
109I91.1Very high90Very high46 Ų4643.3 Ų43.324%0.23623%0.23CC..Hα-helixtrans-55.2-45.2177.4-66.8166.9000110.6I105 M106 K111 G113 L124 I168I105-I109 HydrophobicContact CG2-CD1 3.72Å; I105-I109 HydrophobicContact CG2-CG1 4.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.49Å; I105-I109 PolarHBondContact O-N 2.68Å; M106-I109 PolarHBondContact O-N 3.11Å; I109-K111 PolarHBondContact O-N 3.23Å; I109-G113 VanDerWaalsContact O-CA 3.24Å; I109-G113 WeakPolarHBondContact O-CA 3.4Å; I109-G113 PolarHBondContact O-N 2.97Å; I109-L124 HydrophobicContact CD1-CD1 3.67Å; I109-L124 HydrophobicContact CG1-CD1 4.23Å; I109-I168 HydrophobicContact CD1-CD1 4.27Å
110D92.3Very high89.7Confident51 Ų5144.1 Ų44.127%0.27323%0.234SC..Hα-helixtrans-64.9-28.2-179.4-75.2-29000113.7M106 R108 K158 H160M106-D110 WeakPolarHBondContact O-CB 3.4Å; M106-D110 PolarHBondContact O-N 2.74Å; R108-D110 VanDerWaalsContact C-N 3.27Å; R108-D110 PolarHBondContact O-N 2.93Å; D110-K158 WeakPolarHBondContact OD1-CD 3.46Å; D110-K158 IonicContact OD1-NZ 2.72Å; D110-K158 PolarHBondContact OD1-NZ 2.87Å; D110-K158 VanDerWaalsContact OD1-NZ 3.1Å; D110-H160 IonicContact OD1-CE1 3.45Å; D110-H160 PolarHBondContact OD1-CE1 3.3Å; D110-H160 IonicContact OD1-NE2 2.94Å; D110-H160 IonicContact OD2-CE1 3.5Å; D110-H160 PolarHBondContact OD2-CE1 3.49Å; D110-H160 IonicContact OD2-NE2 3.7Å; D110-H160 PolarHBondContact OD2-NE2 2.76Å
111K90.1Very high89.4Confident135 Ų13546.4 Ų46.459%0.58725%0.246SC*.Hα-helixtrans-95.4-40-175.8-173.5-170.2166.7-139.40113W107 R108 I109W107-K111 WeakPolarHBondContact O-CB 3.49Å; W107-K111 PolarHBondContact O-N 2.88Å; R108-K111 PolarHBondContact O-N 2.92Å; I109-K111 PolarHBondContact O-N 3.23Å
112E86.5Confident89.2Confident99 Ų9946.5 Ų46.546%0.46325%0.246SC..Hα-helixtrans-127.9-9.9-164.9-62.9175.2-167.800112.7R108R108-E112 IonicContact CZ-OE2 3.62Å; R108-E112 IonicContact NE-OE2 3.44Å; R108-E112 IonicContact NH2-OE2 2.74Å; R108-E112 PolarHBondContact O-N 3.01Å
113G84.7Confident88.9Confident28 Ų2848.1 Ų48.129%0.28926%0.256SS..  trans82.5-175.5-171.800000113I109 L115I109-G113 VanDerWaalsContact O-CA 3.24Å; I109-G113 WeakPolarHBondContact O-CA 3.4Å; I109-G113 PolarHBondContact O-N 2.97Å; G113-L115 VanDerWaalsContact C-N 3.34Å
114S76.7Confident88.4Confident23 Ų2348.1 Ų48.116%0.16126%0.256CS..SBendtrans-84.8-2.8-176.254.20000114.3Q120S114-Q120 PolarHBondContact O-NE2 2.86Å
115L80.3Confident88Confident98 Ų9852.8 Ų52.851%0.51328%0.282SS..  trans-98.2123.2-178.7-63.8175.1000111.3G113 Q120 T123G113-L115 VanDerWaalsContact C-N 3.34Å; L115-Q120 HydrophobicContact CD2-CB 4.27Å; L115-Q120 HydrophobicContact CD2-CG 4.26Å; L115-T123 HydrophobicContact CD2-CG2 4.26Å
116V75.1Confident87.8Confident41 Ų4157.7 Ų57.725%0.24831%0.305CS..SBendtrans-85.2-33.3174.8-1760000111.7L34L34-V116 HydrophobicContact CB-CG2 3.77Å; L34-V116 HydrophobicContact CD1-CG2 3.25Å; L34-V116 HydrophobicContact CG-CG2 4.09Å
117S81.7Confident87.7Confident52 Ų5257.7 Ų57.736%0.36431%0.305SS..  trans-158.1158.1-177.171.60000110.9L119 Q120S117-L119 PolarHBondContact O-N 3.26Å; S117-L119 PolarHBondContact OG-N 3.25Å; S117-Q120 VanDerWaalsContact O-CB 3.23Å; S117-Q120 WeakPolarHBondContact O-CB 3.28Å; S117-Q120 PolarHBondContact O-N 2.95Å
118D83.1Confident87.6Confident174 Ų17462 Ų6293%0.9333%0.326SS*.THydrogen-bonded Turntrans-62.3-11.1174.7-57.6-20.3000113.4
119L86.1Confident87.7Confident99 Ų9961.5 Ų61.552%0.51833%0.326SS..THydrogen-bonded Turntrans-89.1-4.8177.6-59.7176.7000113.1M1 S117M1-L119 HydrophobicContact CG-CB 4.37Å; M1-L119 WeakPolarHBondContact CG-O 3.5Å; S117-L119 PolarHBondContact O-N 3.26Å; S117-L119 PolarHBondContact OG-N 3.25Å
120Q90.8Very high87.8Confident20 Ų2061.1 Ų61.19%0.09332%0.323CS..  trans-71.3131.2-179-174.1172-41.200111.5S114 L115 S117 T122 P194 N195S114-Q120 PolarHBondContact O-NE2 2.86Å; L115-Q120 HydrophobicContact CD2-CB 4.27Å; L115-Q120 HydrophobicContact CD2-CG 4.26Å; S117-Q120 VanDerWaalsContact O-CB 3.23Å; S117-Q120 WeakPolarHBondContact O-CB 3.28Å; S117-Q120 PolarHBondContact O-N 2.95Å; Q120-T122 WeakPolarHBondContact CG-O 3.45Å; Q120-T122 PolarHBondContact NE2-O 3.07Å; Q120-P194 HydrophobicContact CG-CB 4.01Å; Q120-N195 WeakPolarHBondContact CA-OD1 3.4Å
121L93.1Very high87.9Confident48 Ų4860.3 Ų60.325%0.25132%0.318SS..  trans-97.7-18.3-172.3-67.6-179.5000113.8M1 V4 I6 L16 N195 L198M1-L121 HydrophobicContact CB-CD1 4.11Å; M1-L121 HydrophobicContact CB-CD2 4.04Å; M1-L121 HydrophobicContact CB-CG 4.11Å; M1-L121 HydrophobicContact CE-CD1 3.39Å; M1-L121 HydrophobicContact CE-CG 3.84Å; M1-L121 HydrophobicContact SD-CD1 4.2Å; V4-L121 HydrophobicContact CG2-CD1 3.8Å; I6-L121 HydrophobicContact CD1-CB 3.83Å; I6-L121 WeakPolarHBondContact CD1-O 3.3Å; I6-L121 HydrophobicContact CG1-CB 4.11Å; I6-L121 HydrophobicContact CG1-CD1 4.27Å; L16-L121 HydrophobicContact CD2-CD1 3.82Å; L121-N195 VanDerWaalsContact CB-OD1 3.3Å; L121-N195 WeakPolarHBondContact CB-OD1 3.5Å; L121-N195 WeakPolarHBondContact CG-OD1 3.19Å; L121-N195 PolarHBondContact N-OD1 3.37Å; L121-L198 HydrophobicContact CB-CD1 3.86Å
122T92.8Very high88.1Confident2 Ų261.5 Ų61.51%0.01233%0.331CS..  trans-139.9150.3-178.8-170.60000109.5R14 Q120 E126 L127 P194 L198R14-T122 PolarHBondContact NH1-OG1 3.33Å; Q120-T122 WeakPolarHBondContact CG-O 3.45Å; Q120-T122 PolarHBondContact NE2-O 3.07Å; T122-E126 VanDerWaalsContact CA-OE2 3.31Å; T122-E126 WeakPolarHBondContact CA-OE2 3.46Å; T122-E126 WeakPolarHBondContact OG1-CB 3.44Å; T122-E126 PolarHBondContact OG1-OE2 3.26Å; T122-E126 VanDerWaalsContact OG1-OE2 3.11Å; T122-L127 HydrophobicContact CG2-CD2 3.74Å; T122-L127 HydrophobicContact CG2-CG 4.48Å; T122-P194 HydrophobicContact CG2-CB 4.19Å; T122-P194 VanDerWaalsContact CG2-O 3.24Å; T122-P194 WeakPolarHBondContact CG2-O 3.44Å; T122-L198 HydrophobicContact CG2-CD1 3.9Å; T122-L198 HydrophobicContact CG2-CD2 4.02Å; T122-L198 HydrophobicContact CG2-CG 3.91Å
123T90.1Very high88.5Confident34 Ų3461.1 Ų61.121%0.20933%0.332CS..  trans-89.7170.216666.90000110.4L115 D125 E126L115-T123 HydrophobicContact CD2-CG2 4.26Å; T123-D125 VanDerWaalsContact C-N 3.34Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 3.01Å; T123-E126 WeakPolarHBondContact OG1-CG 3.38Å
124L87.6Confident88.9Confident0 Ų061 Ų610%033%0.325CS..G310 helixtrans-65.2-38.2174.4-72.5-174.5000112.9L34 I105 I109 E126 L127 H167 I168 V171 L192L34-L124 HydrophobicContact CD2-CD1 3.32Å; L34-L124 HydrophobicContact CD2-CD2 3.59Å; L34-L124 HydrophobicContact CD2-CG 3.68Å; I105-L124 HydrophobicContact CG2-CD1 3.47Å; I105-L124 VanDerWaalsContact CG2-CD1 3.47Å; I109-L124 HydrophobicContact CD1-CD1 3.67Å; I109-L124 HydrophobicContact CG1-CD1 4.23Å; L124-E126 PolarHBondContact O-N 3.03Å; L124-E126 VanDerWaalsContact O-N 3.09Å; L124-L127 HydrophobicContact CD2-CD1 3.67Å; L124-L127 WeakPolarHBondContact O-CB 2.98Å; L124-L127 PolarHBondContact O-N 3.32Å; L124-H167 PolarHBondContact O-NE2 3.46Å; L124-I168 HydrophobicContact CD1-CD1 4.21Å; L124-V171 HydrophobicContact CD2-CG1 4.39Å; L124-L192 HydrophobicContact CD2-CD2 3.47Å; L124-L192 VanDerWaalsContact CD2-CD2 3.47Å; L124-L192 HydrophobicContact CD2-CG 4.44Å
125D87.6Confident89.6Confident112 Ų11266.6 Ų66.660%0.59935%0.348SS*.G310 helixtrans-62.1-19.6179.9-48-50.2000112.4T123T123-D125 VanDerWaalsContact C-N 3.34Å
126E90.3Very high90.3Very high102 Ų10268.6 Ų68.648%0.47736%0.355SS..G310 helixtrans-91.8-16176.8-64173.1146.600112.2R14 T122 T123 L124R14-E126 VanDerWaalsContact CZ-O 3.28Å; R14-E126 PolarHBondContact NH2-O 3.44Å; T122-E126 VanDerWaalsContact CA-OE2 3.31Å; T122-E126 WeakPolarHBondContact CA-OE2 3.46Å; T122-E126 WeakPolarHBondContact OG1-CB 3.44Å; T122-E126 PolarHBondContact OG1-OE2 3.26Å; T122-E126 VanDerWaalsContact OG1-OE2 3.11Å; T123-E126 PolarHBondContact N-OE2 3.44Å; T123-E126 PolarHBondContact O-N 3.01Å; T123-E126 WeakPolarHBondContact OG1-CG 3.38Å; L124-E126 PolarHBondContact O-N 3.03Å; L124-E126 VanDerWaalsContact O-N 3.09Å
127L93.3Very high91.2Very high6 Ų671.5 Ų71.53%0.03137%0.369CS..SBendtrans-70144.8-179-68-176.9000111.1T122 L124 V171 C197T122-L127 HydrophobicContact CG2-CD2 3.74Å; T122-L127 HydrophobicContact CG2-CG 4.48Å; L124-L127 HydrophobicContact CD2-CD1 3.67Å; L124-L127 WeakPolarHBondContact O-CB 2.98Å; L124-L127 PolarHBondContact O-N 3.32Å; L127-V171 HydrophobicContact CB-CG1 3.96Å; L127-V171 HydrophobicContact CB-CG2 4Å; L127-V171 HydrophobicContact CD1-CG1 3.74Å; L127-C197 HydrophobicContact CD1-CB 4.1Å; L127-C197 HydrophobicContact CD2-CB 3.61Å
128E94Very high91.7Very high95 Ų9572 Ų7244%0.44437%0.367SS..  trans-70.4136.7-180-176.155.5-105.400110.7H130 N175E128-H130 VanDerWaalsContact CG-CD2 3.42Å; E128-H130 WeakPolarHBondContact CG-CD2 3.41Å; E128-H130 VanDerWaalsContact CG-NE2 3.28Å; E128-H130 WeakPolarHBondContact CG-NE2 3.34Å; E128-H130 IonicContact OE1-CG 3.99Å; E128-H130 PolarHBondContact OE1-N 3.27Å; E128-H130 IonicContact OE1-ND1 2.95Å; E128-N175 PolarHBondContact O-ND2 3.29Å
129D94.1Very high92.2Very high27 Ų2766.5 Ų66.514%0.14434%0.338CS..  trans-117.7-16.4-176.574.121.3000113.7L131 H167 G170 V171D129-L131 HydrophobicContact CB-CG 4.15Å; D129-L131 PolarHBondContact O-N 2.88Å; D129-L131 WeakPolarHBondContact OD1-CG 3.47Å; D129-L131 PolarHBondContact OD1-N 3.37Å; D129-L131 WeakPolarHBondContact OD2-CD1 3.32Å; D129-H167 IonicContact OD2-CE1 2.84Å; D129-H167 IonicContact OD2-CG 3.62Å; D129-H167 IonicContact OD2-ND1 3.59Å; D129-H167 PolarHBondContact OD2-ND1 3.42Å; D129-G170 WeakPolarHBondContact O-CA 3.3Å; D129-V171 HydrophobicContact CB-CG2 4.13Å
130H94.3Very high92.6Very high38 Ų3866.2 Ų66.218%0.17633%0.333CS..  trans46.325.3-178.3-72.5-64000115.5E128 N132 D133 M134 F253E128-H130 VanDerWaalsContact CG-CD2 3.42Å; E128-H130 WeakPolarHBondContact CG-CD2 3.41Å; E128-H130 VanDerWaalsContact CG-NE2 3.28Å; E128-H130 WeakPolarHBondContact CG-NE2 3.34Å; E128-H130 IonicContact OE1-CG 3.99Å; E128-H130 PolarHBondContact OE1-N 3.27Å; E128-H130 IonicContact OE1-ND1 2.95Å; H130-N132 PolarHBondContact O-N 3.05Å; H130-N132 VanDerWaalsContact O-N 3.15Å; H130-D133 HydrophobicContact CB-CB 4.33Å; H130-D133 IonicContact CE1-OD2 2.9Å; H130-D133 IonicContact CG-OD2 3.71Å; H130-D133 IonicContact ND1-OD2 2.86Å; H130-D133 PolarHBondContact ND1-OD2 2.82Å; H130-D133 PolarHBondContact O-N 3.15Å; H130-M134 WeakPolarHBondContact O-CG 3.27Å; H130-M134 PolarHBondContact O-N 3.09Å; H130-F253 HydrophobicContact CB-CB 4.34Å; H130-F253 HydrophobicContact CB-CD2 3.21Å; H130-F253 HydrophobicContact CB-CE2 3.53Å; H130-F253 HydrophobicContact CB-CG 3.79Å; H130-F253 HydrophobicContact CB-CZ 4.33Å; H130-F253 AromaticContact CD2-CD2 3.62Å; H130-F253 AromaticContact CG-CD2 3.41Å; H130-F253 VanDerWaalsContact CG-CD2 3.41Å; H130-F253 AromaticContact CG-CG 3.86Å
131L94Very high92.8Very high33 Ų3371.8 Ų71.817%0.17336%0.359CS..THydrogen-bonded Turntrans-59.8-32.5-178.6-70.7177.2000112.3D129 D133 M134 L142D129-L131 HydrophobicContact CB-CG 4.15Å; D129-L131 PolarHBondContact O-N 2.88Å; D129-L131 WeakPolarHBondContact OD1-CG 3.47Å; D129-L131 PolarHBondContact OD1-N 3.37Å; D129-L131 WeakPolarHBondContact OD2-CD1 3.32Å; L131-D133 VanDerWaalsContact C-N 3.28Å; L131-D133 PolarHBondContact O-N 2.91Å; L131-M134 HydrophobicContact CD2-SD 3.72Å; L131-L142 HydrophobicContact CD2-CD2 3.53Å
132N94.1Very high92.9Very high160 Ų16070 Ų7086%0.85635%0.349SS*.THydrogen-bonded Turntrans-74.9-17.3178.7-64.6-49.8000113.4H130H130-N132 PolarHBondContact O-N 3.05Å; H130-N132 VanDerWaalsContact O-N 3.15Å
133D94.1Very high93Very high91 Ų9176 Ų7649%0.48738%0.375SS..THydrogen-bonded Turntrans-99-9.5-178-57.4-53.8000112.6H130 L131 F253H130-D133 HydrophobicContact CB-CB 4.33Å; H130-D133 IonicContact CE1-OD2 2.9Å; H130-D133 IonicContact CG-OD2 3.71Å; H130-D133 IonicContact ND1-OD2 2.86Å; H130-D133 PolarHBondContact ND1-OD2 2.82Å; H130-D133 PolarHBondContact O-N 3.15Å; L131-D133 VanDerWaalsContact C-N 3.28Å; L131-D133 PolarHBondContact O-N 2.91Å; D133-F253 HydrophobicContact CB-CB 4.04Å; D133-F253 HydrophobicContact CB-CD1 3.52Å; D133-F253 HydrophobicContact CB-CE1 4.17Å; D133-F253 HydrophobicContact CB-CG 3.86Å; D133-F253 WeakPolarHBondContact O-CE1 3.31Å
134M93.4Very high93.4Very high27 Ų2778.3 Ų78.313%0.13339%0.389CS..  trans-63.6142.6179.8-69.7-178.671.400112.8H130 L131 D138 L139 L142 F253H130-M134 WeakPolarHBondContact O-CG 3.27Å; H130-M134 PolarHBondContact O-N 3.09Å; L131-M134 HydrophobicContact CD2-SD 3.72Å; M134-D138 HydrophobicContact CB-CB 4.39Å; M134-D138 HydrophobicContact CE-CB 3.52Å; M134-L139 HydrophobicContact CB-CD2 3.89Å; M134-L139 HydrophobicContact CB-CG 3.84Å; M134-L139 HydrophobicContact CE-CD2 4.44Å; M134-L139 HydrophobicContact SD-CD2 4.05Å; M134-L142 HydrophobicContact CE-CB 4.16Å; M134-L142 HydrophobicContact CE-CD2 4.19Å; M134-L142 HydrophobicContact SD-CD2 4.01Å; M134-F253 HydrophobicContact CG-CE1 4.39Å; M134-F253 HydrophobicContact CG-CZ 3.98Å
135Q93Very high93.8Very high140 Ų14079.7 Ų79.765%0.65440%0.397SS*.  trans-73.7163173.8-57.9-169.33.200111.4D137 D138 L139Q135-D137 VanDerWaalsContact C-N 3.25Å; Q135-D137 PolarHBondContact O-N 3.2Å; Q135-D138 WeakPolarHBondContact CB-OD2 3.42Å; Q135-D138 PolarHBondContact N-OD2 2.56Å; Q135-D138 PolarHBondContact O-N 2.87Å; Q135-L139 WeakPolarHBondContact O-CG 3.26Å; Q135-L139 PolarHBondContact O-N 3.24Å
136E94Very high94.3Very high139 Ų13974.8 Ų74.865%0.6537%0.37SS*.Hα-helixtrans-59.6-36.2-176.6-161.2-164.813500112.8K140E136-K140 WeakPolarHBondContact O-CG 3.27Å; E136-K140 PolarHBondContact O-N 2.96Å; E136-K140 VanDerWaalsContact O-N 3.1Å; E136-K140 WeakPolarHBondContact OE1-CE 3.49Å; E136-K140 IonicContact OE1-NZ 3.1Å; E136-K140 PolarHBondContact OE1-NZ 3.32Å
137D93.6Very high94.6Very high102 Ų10275.8 Ų75.855%0.54537%0.374SS..Hα-helixtrans-73.1-40.5179.5-69.9-19.9000111.7Q135 L139 K140 E141Q135-D137 VanDerWaalsContact C-N 3.25Å; Q135-D137 PolarHBondContact O-N 3.2Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 3.17Å; D137-K140 WeakPolarHBondContact O-CB 3.21Å; D137-K140 PolarHBondContact O-N 3.36Å; D137-K140 IonicContact OD1-NZ 2.78Å; D137-K140 PolarHBondContact OD1-NZ 3.47Å; D137-E141 PolarHBondContact O-N 3.04Å
138D92.1Very high94.8Very high62 Ų6277.9 Ų77.933%0.33239%0.386SS..Hα-helixtrans-62-39.1173.4-53.3-38.3000111.1M134 Q135 K140 E141 L142M134-D138 HydrophobicContact CB-CB 4.39Å; M134-D138 HydrophobicContact CE-CB 3.52Å; Q135-D138 WeakPolarHBondContact CB-OD2 3.42Å; Q135-D138 PolarHBondContact N-OD2 2.56Å; Q135-D138 PolarHBondContact O-N 2.87Å; D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 3.43Å; D138-E141 PolarHBondContact O-N 3.36Å; D138-L142 WeakPolarHBondContact O-CB 2.93Å; D138-L142 PolarHBondContact O-N 3.05Å
139L93.6Very high95Very high59 Ų5973.4 Ų73.431%0.30937%0.365SS..Hα-helixtrans-65.3-30.9174.5-72.7172.6000112.5M134 Q135 D137 K143M134-L139 HydrophobicContact CB-CD2 3.89Å; M134-L139 HydrophobicContact CB-CG 3.84Å; M134-L139 HydrophobicContact CE-CD2 4.44Å; M134-L139 HydrophobicContact SD-CD2 4.05Å; Q135-L139 WeakPolarHBondContact O-CG 3.26Å; Q135-L139 PolarHBondContact O-N 3.24Å; D137-L139 VanDerWaalsContact C-N 3.29Å; D137-L139 PolarHBondContact O-N 3.17Å; L139-K143 VanDerWaalsContact O-CG 3.25Å; L139-K143 WeakPolarHBondContact O-CG 3.4Å; L139-K143 PolarHBondContact O-N 2.94Å; L139-K143 VanDerWaalsContact O-N 3.07Å
140K95.4Very high95.2Very high94 Ų9475.6 Ų75.641%0.40938%0.376SS..Hα-helixtrans-69-43.9173.2-71.7165.2-165.6152.30110.6E136 D137 D138 K143 V144E136-K140 WeakPolarHBondContact O-CG 3.27Å; E136-K140 PolarHBondContact O-N 2.96Å; E136-K140 VanDerWaalsContact O-N 3.1Å; E136-K140 WeakPolarHBondContact OE1-CE 3.49Å; E136-K140 IonicContact OE1-NZ 3.1Å; E136-K140 PolarHBondContact OE1-NZ 3.32Å; D137-K140 WeakPolarHBondContact O-CB 3.21Å; D137-K140 PolarHBondContact O-N 3.36Å; D137-K140 IonicContact OD1-NZ 2.78Å; D137-K140 PolarHBondContact OD1-NZ 3.47Å; D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 3.43Å; K140-K143 PolarHBondContact O-N 2.98Å; K140-V144 WeakPolarHBondContact O-CG2 3.48Å; K140-V144 PolarHBondContact O-N 2.9Å; K140-V144 VanDerWaalsContact O-N 3.09Å
141E94.1Very high95.3Very high137 Ų13779.1 Ų79.164%0.6440%0.396SS*.Hα-helixtrans-61.8-46.3176.2-66.9-169.5173.500111.4D137 D138 K143 V144 D145D137-E141 PolarHBondContact O-N 3.04Å; D138-E141 PolarHBondContact O-N 3.36Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 2.81Å; E141-V144 WeakPolarHBondContact O-CB 3.19Å; E141-V144 PolarHBondContact O-N 3.4Å; E141-D145 PolarHBondContact O-N 3.17Å
142L95Very high95.5Very high11 Ų1177.8 Ų77.86%0.05839%0.389CS..Hα-helixtrans-57.1-43.4175176.659.9000111.9L131 M134 D138 V144 D145 I146 F169L131-L142 HydrophobicContact CD2-CD2 3.53Å; M134-L142 HydrophobicContact CE-CB 4.16Å; M134-L142 HydrophobicContact CE-CD2 4.19Å; M134-L142 HydrophobicContact SD-CD2 4.01Å; D138-L142 WeakPolarHBondContact O-CB 2.93Å; D138-L142 PolarHBondContact O-N 3.05Å; L142-V144 VanDerWaalsContact C-N 3.31Å; L142-V144 PolarHBondContact O-N 3.18Å; L142-D145 PolarHBondContact O-N 3.47Å; L142-I146 HydrophobicContact CD1-CD1 4.14Å; L142-I146 HydrophobicContact CD1-CG1 4.25Å; L142-I146 HydrophobicContact CG-CD1 3.9Å; L142-I146 HydrophobicContact CG-CG1 4.47Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.38Å; L142-I146 PolarHBondContact O-N 2.98Å; L142-F169 HydrophobicContact CD1-CB 3.38Å; L142-F169 HydrophobicContact CD1-CD1 4.17Å; L142-F169 HydrophobicContact CD1-CD2 4.12Å; L142-F169 HydrophobicContact CD1-CG 3.67Å
143K96.3Very high95.7Very high126 Ų12670.7 Ų70.755%0.54835%0.35SS..Hα-helixtrans-60-41.9175.2-76.6169.2-173173.20111.5L139 K140 E141 D145 I146 H147L139-K143 VanDerWaalsContact O-CG 3.25Å; L139-K143 WeakPolarHBondContact O-CG 3.4Å; L139-K143 PolarHBondContact O-N 2.94Å; L139-K143 VanDerWaalsContact O-N 3.07Å; K140-K143 PolarHBondContact O-N 2.98Å; E141-K143 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 2.81Å; K143-D145 VanDerWaalsContact C-N 3.32Å; K143-I146 PolarHBondContact O-N 3.06Å; K143-H147 PolarHBondContact O-N 3.43Å; K143-H147 PolarHBondContact O-ND1 3.32Å
144V96.9Very high95.8Very high84 Ų8467.7 Ų67.751%0.50934%0.336SS..Hα-helixtrans-61-44.3176.6171.80000110.6K140 E141 L142 I146 H147 N148K140-V144 WeakPolarHBondContact O-CG2 3.48Å; K140-V144 PolarHBondContact O-N 2.9Å; K140-V144 VanDerWaalsContact O-N 3.09Å; E141-V144 WeakPolarHBondContact O-CB 3.19Å; E141-V144 PolarHBondContact O-N 3.4Å; L142-V144 VanDerWaalsContact C-N 3.31Å; L142-V144 PolarHBondContact O-N 3.18Å; V144-I146 PolarHBondContact O-N 3.48Å; V144-H147 PolarHBondContact O-N 3.48Å; V144-N148 VanDerWaalsContact O-CG 3.29Å; V144-N148 PolarHBondContact O-N 3.37Å; V144-N148 PolarHBondContact O-ND2 3.41Å
145D96.7Very high95.9Very high29 Ų2977.9 Ų77.916%0.15537%0.373CS..Hα-helixtrans-63.8-39.2176.9-87.2-18.9000113N96 E141 L142 K143 N148 F149 F169N96-D145 PolarHBondContact ND2-OD1 3.41Å; E141-D145 PolarHBondContact O-N 3.17Å; L142-D145 PolarHBondContact O-N 3.47Å; K143-D145 VanDerWaalsContact C-N 3.32Å; D145-N148 PolarHBondContact O-N 3.26Å; D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.38Å; D145-F149 PolarHBondContact O-N 3.4Å; D145-F169 HydrophobicContact CB-CD1 4.5Å; D145-F169 HydrophobicContact CB-CE1 3.77Å; D145-F169 HydrophobicContact CB-CZ 3.83Å
146I97.6Very high95.9Very high8 Ų877.8 Ų77.84%0.04138%0.382CS..Hα-helixtrans-62.2-44.6174.5-68.1163.8000111L142 K143 V144 F149 L150 I162 I165 S166 F169L142-I146 HydrophobicContact CD1-CD1 4.14Å; L142-I146 HydrophobicContact CD1-CG1 4.25Å; L142-I146 HydrophobicContact CG-CD1 3.9Å; L142-I146 HydrophobicContact CG-CG1 4.47Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.38Å; L142-I146 PolarHBondContact O-N 2.98Å; K143-I146 PolarHBondContact O-N 3.06Å; V144-I146 PolarHBondContact O-N 3.48Å; I146-F149 WeakPolarHBondContact O-CB 3.41Å; I146-F149 PolarHBondContact O-N 3.26Å; I146-L150 HydrophobicContact CG2-CD1 4.14Å; I146-L150 HydrophobicContact CG2-CG 4.48Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.47Å; I146-L150 PolarHBondContact O-N 3.09Å; I146-I162 HydrophobicContact CG2-CG2 4.46Å; I146-I165 HydrophobicContact CG1-CG2 4.13Å; I146-I165 HydrophobicContact CG2-CG2 4.35Å; I146-S166 VanDerWaalsContact CD1-OG 3.22Å; I146-S166 WeakPolarHBondContact CD1-OG 3.33Å; I146-F169 HydrophobicContact CG1-CD2 4.15Å; I146-F169 HydrophobicContact CG1-CE2 4.2Å
147H97.4Very high96Very high123 Ų12372.2 Ų72.257%0.56936%0.359SS*.Hα-helixtrans-63.1-44.4177.1-72.786.9000111.2K143 V144 F149 L150 D151K143-H147 PolarHBondContact O-N 3.43Å; K143-H147 PolarHBondContact O-ND1 3.32Å; V144-H147 PolarHBondContact O-N 3.48Å; H147-F149 VanDerWaalsContact C-N 3.3Å; H147-F149 PolarHBondContact O-N 3.22Å; H147-L150 PolarHBondContact O-N 3.18Å; H147-D151 PolarHBondContact O-N 2.74Å
148N97.7Very high96.1Very high50 Ų5073.7 Ų73.727%0.26736%0.36SS..Hα-helixtrans-63.3-37176.4-70.9-33.8000112.2I99 V144 D145 Y152I99-N148 HydrophobicContact CD1-CB 3.45Å; I99-N148 VanDerWaalsContact CD1-CB 3.45Å; V144-N148 VanDerWaalsContact O-CG 3.29Å; V144-N148 PolarHBondContact O-N 3.37Å; V144-N148 PolarHBondContact O-ND2 3.41Å; D145-N148 PolarHBondContact O-N 3.26Å; N148-Y152 WeakPolarHBondContact O-CB 3.43Å; N148-Y152 PolarHBondContact O-N 2.89Å; N148-Y152 VanDerWaalsContact O-N 3.08Å
149F98.2Very high96.3Very high1 Ų175.9 Ų75.90%0.00437%0.368CS..Hα-helixtrans-62.1-49172.9169.8-90.2000111I99 V102 S103 M106 D145 I146 H147 D151 Y152 W153 I165 F169I99-F149 HydrophobicContact CG1-CB 4.41Å; I99-F149 HydrophobicContact CG2-CB 4.23Å; I99-F149 HydrophobicContact CG2-CD2 4.18Å; V102-F149 HydrophobicContact CB-CD2 4.4Å; V102-F149 HydrophobicContact CB-CE2 4.42Å; V102-F149 HydrophobicContact CG1-CD2 3.91Å; V102-F149 HydrophobicContact CG1-CE2 3.69Å; V102-F149 HydrophobicContact CG1-CZ 4.33Å; S103-F149 WeakPolarHBondContact OG-CE2 3.3Å; M106-F149 HydrophobicContact SD-CE1 4.16Å; M106-F149 HydrophobicContact SD-CE2 4.1Å; M106-F149 HydrophobicContact SD-CZ 3.44Å; M106-F149 WeakPolarHBondContact SD-CZ 3.21Å; D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.38Å; D145-F149 PolarHBondContact O-N 3.4Å; I146-F149 WeakPolarHBondContact O-CB 3.41Å; I146-F149 PolarHBondContact O-N 3.26Å; H147-F149 VanDerWaalsContact C-N 3.3Å; H147-F149 PolarHBondContact O-N 3.22Å; F149-D151 VanDerWaalsContact C-N 3.28Å; F149-D151 PolarHBondContact O-N 2.92Å; F149-Y152 CarbonylContact O-C 3.58Å; F149-Y152 PolarHBondContact O-N 3.33Å; F149-W153 HydrophobicContact CD1-CB 4.5Å; F149-W153 HydrophobicContact CE1-CB 4.07Å; F149-W153 HydrophobicContact CE1-CD2 4.16Å; F149-W153 HydrophobicContact CE1-CE3 4.32Å; F149-W153 HydrophobicContact CE1-CG 4.08Å; F149-W153 HydrophobicContact CE2-CD2 4.19Å; F149-W153 AromaticContact CE2-CE3 3.53Å; F149-W153 HydrophobicContact CE2-CE3 3.53Å; F149-W153 HydrophobicContact CE2-CZ3 4.01Å; F149-W153 HydrophobicContact CZ-CB 4.15Å; F149-W153 AromaticContact CZ-CD2 3.53Å; F149-W153 HydrophobicContact CZ-CD2 3.53Å; F149-W153 AromaticContact CZ-CE3 3.32Å; F149-W153 HydrophobicContact CZ-CE3 3.32Å; F149-W153 AromaticContact CZ-CG 3.93Å; F149-W153 HydrophobicContact CZ-CG 3.93Å; F149-W153 AromaticContact CZ-CZ3 3.89Å; F149-W153 HydrophobicContact CZ-CZ3 3.89Å; F149-W153 VanDerWaalsContact O-CB 3.32Å; F149-W153 WeakPolarHBondContact O-CB 3.5Å; F149-W153 PolarHBondContact O-N 3.13Å; F149-I165 HydrophobicContact CD1-CD1 3.91Å; F149-I165 HydrophobicContact CD1-CG1 4.2Å; F149-I165 HydrophobicContact CD1-CG2 3.76Å; F149-I165 HydrophobicContact CE1-CD1 3.65Å; F149-I165 HydrophobicContact CE1-CG1 3.77Å; F149-I165 HydrophobicContact CE1-CG2 4.07Å; F149-I165 HydrophobicContact CG-CG2 4.25Å; F149-F169 HydrophobicContact CB-CE2 4.17Å; F149-F169 HydrophobicContact CB-CZ 4.26Å; F149-F169 HydrophobicContact CG-CE2 4.46Å
150L97.7Very high96.4Very high74 Ų7475 Ų7539%0.38736%0.362SS..Hα-helixtrans-61.6-36.1179.7-70.3171.7000112.4I146 H147 I165I146-L150 HydrophobicContact CG2-CD1 4.14Å; I146-L150 HydrophobicContact CG2-CG 4.48Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.47Å; I146-L150 PolarHBondContact O-N 3.09Å; H147-L150 PolarHBondContact O-N 3.18Å; L150-I165 HydrophobicContact CD2-CD1 3.71Å; L150-I165 HydrophobicContact CG-CD1 4.46Å
151D97.1Very high96.5Very high112 Ų11274 Ų7460%0.59936%0.364SS*.Hα-helixtrans-67-36173.8-81.5-10.9000112.6Y91 H147 F149Y91-D151 WeakPolarHBondContact CD2-O 3.43Å; Y91-D151 HydrophobicContact CE2-CB 3.88Å; Y91-D151 VanDerWaalsContact CE2-O 3.28Å; Y91-D151 WeakPolarHBondContact CE2-O 3.39Å; H147-D151 PolarHBondContact O-N 2.74Å; F149-D151 VanDerWaalsContact C-N 3.28Å; F149-D151 PolarHBondContact O-N 2.92Å
152Y98.1Very high96.6Very high5 Ų572.3 Ų72.32%0.0236%0.358CS..Hα-helixtrans-79-33.5178.3172.6-115.2000113.1A87 I88 Y91 P95 I99 S103 W107 N148 F149 P154A87-Y152 HydrophobicContact CB-CE1 4.38Å; A87-Y152 HydrophobicContact CB-CE2 3.69Å; A87-Y152 WeakPolarHBondContact CB-OH 3.39Å; I88-Y152 HydrophobicContact CG1-CE2 3.98Å; Y91-Y152 AromaticContact CD1-CD2 3.56Å; Y91-Y152 HydrophobicContact CD1-CD2 3.56Å; Y91-Y152 HydrophobicContact CD1-CE2 4.45Å; Y91-Y152 HydrophobicContact CD1-CG 4.34Å; Y91-Y152 HydrophobicContact CE1-CD2 4.19Å; Y91-Y152 AromaticContact CG-CD2 3.84Å; Y91-Y152 HydrophobicContact CG-CD2 3.84Å; P95-Y152 HydrophobicContact CB-CG 4.37Å; P95-Y152 HydrophobicContact CG-CD1 3.9Å; P95-Y152 HydrophobicContact CG-CD2 3.76Å; P95-Y152 HydrophobicContact CG-CE1 3.91Å; P95-Y152 HydrophobicContact CG-CE2 3.77Å; P95-Y152 HydrophobicContact CG-CG 3.82Å; I99-Y152 HydrophobicContact CG2-CD1 3.79Å; I99-Y152 HydrophobicContact CG2-CE1 4.48Å; I99-Y152 HydrophobicContact CG2-CG 4.34Å; S103-Y152 WeakPolarHBondContact OG-CD1 3.35Å; S103-Y152 VanDerWaalsContact OG-CE1 3.28Å; S103-Y152 WeakPolarHBondContact OG-CE1 3.35Å; W107-Y152 AromaticContact CH2-CE1 3.93Å; W107-Y152 HydrophobicContact CH2-CE1 3.93Å; N148-Y152 WeakPolarHBondContact O-CB 3.43Å; N148-Y152 PolarHBondContact O-N 2.89Å; N148-Y152 VanDerWaalsContact O-N 3.08Å; F149-Y152 CarbonylContact O-C 3.58Å; F149-Y152 PolarHBondContact O-N 3.33Å; Y152-P154 WeakPolarHBondContact O-CD 3.26Å
153W98Very high96.6Very high11 Ų1177.7 Ų77.74%0.04239%0.388CS..SBendtrans-65.9121.1-170.9-170.3-111.9000111.4M106 W107 F149 R155 K158 H160M106-W153 HydrophobicContact CB-CH2 3.51Å; M106-W153 HydrophobicContact CB-CZ2 4.25Å; M106-W153 HydrophobicContact CB-CZ3 4.06Å; W107-W153 AromaticContact CD1-CH2 3.31Å; W107-W153 AromaticContact CD1-CZ2 3.97Å; W107-W153 AromaticContact CD1-CZ3 3.8Å; W107-W153 HydrophobicContact CD2-CH2 4.14Å; W107-W153 AromaticContact CD2-CZ3 3.9Å; W107-W153 HydrophobicContact CD2-CZ3 3.9Å; W107-W153 AromaticContact CE2-CH2 3.84Å; W107-W153 AromaticContact CE2-CZ3 3.46Å; W107-W153 VanDerWaalsContact CE2-CZ3 3.46Å; W107-W153 AromaticContact CG-CH2 3.83Å; W107-W153 HydrophobicContact CG-CH2 3.83Å; W107-W153 HydrophobicContact CG-CZ3 4.09Å; W107-W153 HydrophobicContact CZ2-CE3 4.09Å; W107-W153 AromaticContact CZ2-CZ3 3.86Å; W107-W153 HydrophobicContact CZ2-CZ3 3.86Å; W107-W153 AromaticContact NE1-CH2 3.32Å; W107-W153 VanDerWaalsContact NE1-CH2 3.32Å; W107-W153 AromaticContact NE1-CZ2 3.88Å; W107-W153 AromaticContact NE1-CZ3 3.43Å; F149-W153 HydrophobicContact CD1-CB 4.5Å; F149-W153 HydrophobicContact CE1-CB 4.07Å; F149-W153 HydrophobicContact CE1-CD2 4.16Å; F149-W153 HydrophobicContact CE1-CE3 4.32Å; F149-W153 HydrophobicContact CE1-CG 4.08Å; F149-W153 HydrophobicContact CE2-CD2 4.19Å; F149-W153 AromaticContact CE2-CE3 3.53Å; F149-W153 HydrophobicContact CE2-CE3 3.53Å; F149-W153 HydrophobicContact CE2-CZ3 4.01Å; F149-W153 HydrophobicContact CZ-CB 4.15Å; F149-W153 AromaticContact CZ-CD2 3.53Å; F149-W153 HydrophobicContact CZ-CD2 3.53Å; F149-W153 AromaticContact CZ-CE3 3.32Å; F149-W153 HydrophobicContact CZ-CE3 3.32Å; F149-W153 AromaticContact CZ-CG 3.93Å; F149-W153 HydrophobicContact CZ-CG 3.93Å; F149-W153 AromaticContact CZ-CZ3 3.89Å; F149-W153 HydrophobicContact CZ-CZ3 3.89Å; F149-W153 VanDerWaalsContact O-CB 3.32Å; F149-W153 WeakPolarHBondContact O-CB 3.5Å; F149-W153 PolarHBondContact O-N 3.13Å; W153-R155 PolarHBondContact O-N 2.88Å; W153-K158 PolarHBondContact NE1-O 2.95Å; W153-H160 AromaticContact CZ2-CD2 3.79Å; W153-H160 AromaticContact CZ2-NE2 3.88Å
154P96.6Very high96.5Very high28 Ų2875.5 Ų75.518%0.18238%0.382CS..  trans-64.4132.3-176.5-22.232.2000112A87 W107 Y152 T156 S157 Q159A87-P154 HydrophobicContact CB-CG 3.71Å; W107-P154 HydrophobicContact CZ2-CG 4.02Å; Y152-P154 WeakPolarHBondContact O-CD 3.26Å; P154-T156 PolarHBondContact O-N 2.79Å; P154-S157 VanDerWaalsContact O-CB 3.31Å; P154-S157 WeakPolarHBondContact O-CB 3.46Å; P154-S157 PolarHBondContact O-N 3.02Å; P154-S157 PolarHBondContact O-OG 3.45Å; P154-Q159 PolarHBondContact O-NE2 2.86Å
155R94.4Very high96.5Very high240 Ų24071.6 Ų71.691%0.90636%0.358SS*.THydrogen-bonded Turntrans-59.1-18.5174.2-64.2-176.7-177-95.7-2.7113.9W153W153-R155 PolarHBondContact O-N 2.88Å
156T94.5Very high96.5Very high138 Ų13871.1 Ų71.185%0.84736%0.357SS*.THydrogen-bonded Turntrans-82.6-12.9175.251.90000113.4P154P154-T156 PolarHBondContact O-N 2.79Å
157S95.9Very high96.4Very high23 Ų2372.2 Ų72.216%0.16136%0.362CS..SBendtrans-81162.1172.3-50.40000110.2W107 P154 Q159W107-S157 PolarHBondContact NE1-OG 2.97Å; W107-S157 VanDerWaalsContact NE1-OG 3.15Å; P154-S157 VanDerWaalsContact O-CB 3.31Å; P154-S157 WeakPolarHBondContact O-CB 3.46Å; P154-S157 PolarHBondContact O-N 3.02Å; P154-S157 PolarHBondContact O-OG 3.45Å; S157-Q159 PolarHBondContact O-N 3.09Å; S157-Q159 PolarHBondContact O-NE2 2.97Å
158K95.8Very high96.3Very high132 Ų13266.8 Ų66.857%0.57434%0.337SS*.PPolyproline II helixtrans-60.2135.2169.8-178.4173.8152.6-144.90109.2D110 W153 H160D110-K158 WeakPolarHBondContact OD1-CD 3.46Å; D110-K158 IonicContact OD1-NZ 2.72Å; D110-K158 PolarHBondContact OD1-NZ 2.87Å; D110-K158 VanDerWaalsContact OD1-NZ 3.1Å; W153-K158 PolarHBondContact NE1-O 2.95Å; K158-H160 PolarHBondContact O-CD2 3.36Å
159Q96.2Very high96.3Very high108 Ų10864.4 Ų64.451%0.50532%0.324SS..PPolyproline II helixtrans-88.7142.9179.2-56.5-58-64.300109.1P154 S157P154-Q159 PolarHBondContact O-NE2 2.86Å; S157-Q159 PolarHBondContact O-N 3.09Å; S157-Q159 PolarHBondContact O-NE2 2.97Å
160H95.5Very high96.1Very high41 Ų4164.4 Ų64.419%0.1932%0.324CS..  trans-119.2156.5-174.8-64.8-70.2000110.1D110 W153 K158 D164 I165D110-H160 IonicContact OD1-CE1 3.45Å; D110-H160 PolarHBondContact OD1-CE1 3.3Å; D110-H160 IonicContact OD1-NE2 2.94Å; D110-H160 IonicContact OD2-CE1 3.5Å; D110-H160 PolarHBondContact OD2-CE1 3.49Å; D110-H160 IonicContact OD2-NE2 3.7Å; D110-H160 PolarHBondContact OD2-NE2 2.76Å; W153-H160 AromaticContact CZ2-CD2 3.79Å; W153-H160 AromaticContact CZ2-NE2 3.88Å; K158-H160 PolarHBondContact O-CD2 3.36Å; H160-D164 HydrophobicContact CB-CB 4.3Å; H160-I165 HydrophobicContact CB-CD1 4.39Å; H160-I165 HydrophobicContact CB-CG1 4.09Å
161T96.8Very high96.1Very high72 Ų7261 Ų6144%0.44231%0.306SS..  trans-74.1161.8175.769.60000110.6D163 D164 I165T161-D163 PolarHBondContact O-N 3.24Å; T161-D164 WeakPolarHBondContact CB-OD2 3.47Å; T161-D164 PolarHBondContact N-OD2 3.37Å; T161-D164 PolarHBondContact O-N 3.31Å; T161-D164 PolarHBondContact OG1-N 2.93Å; T161-D164 VanDerWaalsContact OG1-N 3.13Å; T161-D164 PolarHBondContact OG1-OD2 3.08Å; T161-I165 WeakPolarHBondContact O-CD1 3.22Å; T161-I165 VanDerWaalsContact O-CG1 3.25Å; T161-I165 WeakPolarHBondContact O-CG1 3.4Å; T161-I165 PolarHBondContact O-N 3.16Å; T161-I165 VanDerWaalsContact O-N 3.13Å
162I96.4Very high95.9Very high102 Ų10255.9 Ų55.952%0.52328%0.279SS..Hα-helixtrans-61.4-34.5174.2-65.9176.5000110.2I146 I165 S166I146-I162 HydrophobicContact CG2-CG2 4.46Å; I162-I165 PolarHBondContact O-N 3.48Å; I162-S166 WeakPolarHBondContact O-CB 3.34Å; I162-S166 PolarHBondContact O-N 2.99Å; I162-S166 PolarHBondContact O-OG 2.9Å
163D94.9Very high95.6Very high125 Ų12558.3 Ų58.367%0.66829%0.292SS*.Hα-helixtrans-66.2-46179.7-60.4-18.6000110.8T161 I165 S166 H167T161-D163 PolarHBondContact O-N 3.24Å; D163-I165 VanDerWaalsContact C-N 3.29Å; D163-I165 PolarHBondContact O-N 3.26Å; D163-S166 PolarHBondContact O-N 3.05Å; D163-H167 WeakPolarHBondContact O-CB 3.44Å; D163-H167 PolarHBondContact O-N 3.27Å
164D94Very high95.4Very high80 Ų8058.4 Ų58.443%0.42829%0.294SS..Hα-helixtrans-59.3-41.6175.3-56.2-43.8000111.5H160 T161 I168H160-D164 HydrophobicContact CB-CB 4.3Å; T161-D164 WeakPolarHBondContact CB-OD2 3.47Å; T161-D164 PolarHBondContact N-OD2 3.37Å; T161-D164 PolarHBondContact O-N 3.31Å; T161-D164 PolarHBondContact OG1-N 2.93Å; T161-D164 VanDerWaalsContact OG1-N 3.13Å; T161-D164 PolarHBondContact OG1-OD2 3.08Å; D164-I168 WeakPolarHBondContact O-CG1 3.22Å; D164-I168 PolarHBondContact O-N 2.91Å
165I96.4Very high95.3Very high2 Ų258 Ų581%0.0129%0.291CS..Hα-helixtrans-66.8-47178.8-60.7160000110.8M106 I146 F149 L150 H160 T161 I162 D163 H167 I168 F169M106-I165 VanDerWaalsContact CE-CA 3.45Å; M106-I165 HydrophobicContact CE-CB 4.01Å; M106-I165 HydrophobicContact CE-CG1 3.65Å; M106-I165 HydrophobicContact CE-CG2 4.42Å; M106-I165 HydrophobicContact SD-CG1 4.29Å; I146-I165 HydrophobicContact CG1-CG2 4.13Å; I146-I165 HydrophobicContact CG2-CG2 4.35Å; F149-I165 HydrophobicContact CD1-CD1 3.91Å; F149-I165 HydrophobicContact CD1-CG1 4.2Å; F149-I165 HydrophobicContact CD1-CG2 3.76Å; F149-I165 HydrophobicContact CE1-CD1 3.65Å; F149-I165 HydrophobicContact CE1-CG1 3.77Å; F149-I165 HydrophobicContact CE1-CG2 4.07Å; F149-I165 HydrophobicContact CG-CG2 4.25Å; L150-I165 HydrophobicContact CD2-CD1 3.71Å; L150-I165 HydrophobicContact CG-CD1 4.46Å; H160-I165 HydrophobicContact CB-CD1 4.39Å; H160-I165 HydrophobicContact CB-CG1 4.09Å; T161-I165 WeakPolarHBondContact O-CD1 3.22Å; T161-I165 VanDerWaalsContact O-CG1 3.25Å; T161-I165 WeakPolarHBondContact O-CG1 3.4Å; T161-I165 PolarHBondContact O-N 3.16Å; T161-I165 VanDerWaalsContact O-N 3.13Å; I162-I165 PolarHBondContact O-N 3.48Å; D163-I165 VanDerWaalsContact C-N 3.29Å; D163-I165 PolarHBondContact O-N 3.26Å; I165-H167 VanDerWaalsContact C-N 3.3Å; I165-H167 PolarHBondContact O-N 2.84Å; I165-I168 PolarHBondContact O-N 3.38Å; I165-F169 HydrophobicContact CG2-CD2 3.83Å; I165-F169 HydrophobicContact CG2-CE2 3.75Å; I165-F169 WeakPolarHBondContact O-CD2 3.37Å; I165-F169 PolarHBondContact O-N 2.89Å; I165-F169 VanDerWaalsContact O-N 3.1Å
166S96.6Very high95.2Very high18 Ų1847.7 Ų47.713%0.12626%0.259CS..Hα-helixtrans-59.9-43.7179.2-55.10000110.7I146 I162 D163 I168 F169 G170I146-S166 VanDerWaalsContact CD1-OG 3.22Å; I146-S166 WeakPolarHBondContact CD1-OG 3.33Å; I162-S166 WeakPolarHBondContact O-CB 3.34Å; I162-S166 PolarHBondContact O-N 2.99Å; I162-S166 PolarHBondContact O-OG 2.9Å; D163-S166 PolarHBondContact O-N 3.05Å; S166-I168 PolarHBondContact O-N 3.48Å; S166-F169 PolarHBondContact O-N 3.11Å; S166-G170 PolarHBondContact O-N 2.96Å
167H95.8Very high95.1Very high32 Ų3243 Ų4315%0.14823%0.227CC..Hα-helixtrans-57.6-49.8177.417861.2000111.6L124 D129 D163 I165 F169 G170 V171L124-H167 PolarHBondContact O-NE2 3.46Å; D129-H167 IonicContact OD2-CE1 2.84Å; D129-H167 IonicContact OD2-CG 3.62Å; D129-H167 IonicContact OD2-ND1 3.59Å; D129-H167 PolarHBondContact OD2-ND1 3.42Å; D163-H167 WeakPolarHBondContact O-CB 3.44Å; D163-H167 PolarHBondContact O-N 3.27Å; I165-H167 VanDerWaalsContact C-N 3.3Å; I165-H167 PolarHBondContact O-N 2.84Å; H167-F169 VanDerWaalsContact C-N 3.32Å; H167-F169 PolarHBondContact O-N 3.06Å; H167-G170 PolarHBondContact O-N 3.25Å; H167-G170 VanDerWaalsContact O-N 3.17Å; H167-V171 WeakPolarHBondContact O-CG2 3.37Å; H167-V171 PolarHBondContact O-N 3.26Å
168I96.1Very high94.8Very high8 Ų846 Ų464%0.04125%0.245CC..Hα-helixtrans-64.7-35.2179.6-60.3-59.1000112.3V102 I105 M106 I109 L124 D164 I165 S166 I172V102-I168 HydrophobicContact CB-CG2 4.33Å; V102-I168 HydrophobicContact CG1-CB 4.42Å; V102-I168 HydrophobicContact CG1-CG2 4.01Å; V102-I168 HydrophobicContact CG2-CG2 4.15Å; I105-I168 HydrophobicContact CB-CG2 4.36Å; I105-I168 HydrophobicContact CG2-CD1 4.4Å; I105-I168 HydrophobicContact CG2-CG2 3.98Å; M106-I168 HydrophobicContact CE-CB 4.13Å; M106-I168 HydrophobicContact CE-CG1 3.87Å; I109-I168 HydrophobicContact CD1-CD1 4.27Å; L124-I168 HydrophobicContact CD1-CD1 4.21Å; D164-I168 WeakPolarHBondContact O-CG1 3.22Å; D164-I168 PolarHBondContact O-N 2.91Å; I165-I168 PolarHBondContact O-N 3.38Å; S166-I168 PolarHBondContact O-N 3.48Å; I168-I172 HydrophobicContact CG2-CD1 4.02Å; I168-I172 WeakPolarHBondContact O-CD1 3.11Å; I168-I172 VanDerWaalsContact O-CG1 3.3Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 3.4Å
169F96.6Very high94.5Very high1 Ų140 Ų400%0.00422%0.219CC..Hα-helixtrans-63-48171.9-89.5-77000111.9N98 I99 V102 L142 D145 I146 F149 I165 S166 H167 V171 I172 N173N98-F169 HydrophobicContact CB-CD1 4.43Å; N98-F169 HydrophobicContact CB-CE1 3.98Å; I99-F169 HydrophobicContact CG1-CE1 4.4Å; I99-F169 HydrophobicContact CG1-CZ 3.97Å; V102-F169 HydrophobicContact CB-CE2 4.44Å; V102-F169 HydrophobicContact CB-CZ 4.44Å; V102-F169 HydrophobicContact CG1-CD2 4.45Å; V102-F169 HydrophobicContact CG1-CE2 4.22Å; V102-F169 HydrophobicContact CG2-CD1 3.73Å; V102-F169 HydrophobicContact CG2-CD2 3.89Å; V102-F169 HydrophobicContact CG2-CE1 3.74Å; V102-F169 HydrophobicContact CG2-CE2 3.89Å; V102-F169 HydrophobicContact CG2-CG 3.8Å; V102-F169 HydrophobicContact CG2-CZ 3.81Å; L142-F169 HydrophobicContact CD1-CB 3.38Å; L142-F169 HydrophobicContact CD1-CD1 4.17Å; L142-F169 HydrophobicContact CD1-CD2 4.12Å; L142-F169 HydrophobicContact CD1-CG 3.67Å; D145-F169 HydrophobicContact CB-CD1 4.5Å; D145-F169 HydrophobicContact CB-CE1 3.77Å; D145-F169 HydrophobicContact CB-CZ 3.83Å; I146-F169 HydrophobicContact CG1-CD2 4.15Å; I146-F169 HydrophobicContact CG1-CE2 4.2Å; F149-F169 HydrophobicContact CB-CE2 4.17Å; F149-F169 HydrophobicContact CB-CZ 4.26Å; F149-F169 HydrophobicContact CG-CE2 4.46Å; I165-F169 HydrophobicContact CG2-CD2 3.83Å; I165-F169 HydrophobicContact CG2-CE2 3.75Å; I165-F169 WeakPolarHBondContact O-CD2 3.37Å; I165-F169 PolarHBondContact O-N 2.89Å; I165-F169 VanDerWaalsContact O-N 3.1Å; S166-F169 PolarHBondContact O-N 3.11Å; H167-F169 VanDerWaalsContact C-N 3.32Å; H167-F169 PolarHBondContact O-N 3.06Å; F169-V171 VanDerWaalsContact C-N 3.34Å; F169-V171 PolarHBondContact O-N 2.96Å; F169-I172 PolarHBondContact O-N 3.31Å; F169-N173 VanDerWaalsContact O-CG 3.29Å; F169-N173 PolarHBondContact O-N 3.06Å; F169-N173 PolarHBondContact O-ND2 3.49Å
170G95.8Very high94.1Very high1 Ų137 Ų371%0.0121%0.21CC..Hα-helixtrans-60.2-43.3177.300000112.1D129 S166 H167 I172 N173 C174D129-G170 WeakPolarHBondContact O-CA 3.3Å; S166-G170 PolarHBondContact O-N 2.96Å; H167-G170 PolarHBondContact O-N 3.25Å; H167-G170 VanDerWaalsContact O-N 3.17Å; G170-I172 PolarHBondContact O-N 2.99Å; G170-N173 PolarHBondContact O-N 2.77Å; G170-C174 WeakPolarHBondContact O-CB 3.46Å; G170-C174 PolarHBondContact O-N 3.12Å; G170-C174 PolarHBondContact O-SG 3.37Å; G170-C174 VanDerWaalsContact O-SG 3.36Å
171V95.6Very high93.6Very high1 Ų135.3 Ų35.31%0.00620%0.203CC..Hα-helixtrans-57.8-47174.3168.30000111.3L124 L127 D129 H167 F169 N173 C174 N175 L192L124-V171 HydrophobicContact CD2-CG1 4.39Å; L127-V171 HydrophobicContact CB-CG1 3.96Å; L127-V171 HydrophobicContact CB-CG2 4Å; L127-V171 HydrophobicContact CD1-CG1 3.74Å; D129-V171 HydrophobicContact CB-CG2 4.13Å; H167-V171 WeakPolarHBondContact O-CG2 3.37Å; H167-V171 PolarHBondContact O-N 3.26Å; F169-V171 VanDerWaalsContact C-N 3.34Å; F169-V171 PolarHBondContact O-N 2.96Å; V171-N173 VanDerWaalsContact C-N 3.35Å; V171-N173 PolarHBondContact O-N 3.38Å; V171-C174 PolarHBondContact O-N 3.13Å; V171-N175 WeakPolarHBondContact O-CA 3.45Å; V171-N175 WeakPolarHBondContact O-CB 3.41Å; V171-N175 PolarHBondContact O-N 3.4Å; V171-N175 PolarHBondContact O-ND2 3.25Å; V171-L192 HydrophobicContact CG1-CD1 4.36Å; V171-L192 HydrophobicContact CG1-CD2 3.88Å
172I94.3Very high92.9Very high6 Ų634.7 Ų34.73%0.03120%0.195CC..Hα-helixtrans-64.1-40.9178.7-70.3162000111.4L101 V102 I105 I168 F169 G170 C174 G176L101-I172 HydrophobicContact CB-CD1 4.13Å; L101-I172 HydrophobicContact CD2-CB 4.49Å; L101-I172 HydrophobicContact CD2-CD1 4.05Å; L101-I172 HydrophobicContact CD2-CG1 4Å; L101-I172 HydrophobicContact CD2-CG2 3.66Å; L101-I172 HydrophobicContact CG-CD1 3.78Å; L101-I172 HydrophobicContact CG-CG1 4.19Å; V102-I172 HydrophobicContact CB-CD1 4.23Å; V102-I172 HydrophobicContact CG2-CD1 3.37Å; I105-I172 HydrophobicContact CD1-CD1 3.92Å; I105-I172 HydrophobicContact CD1-CG1 3.96Å; I168-I172 HydrophobicContact CG2-CD1 4.02Å; I168-I172 WeakPolarHBondContact O-CD1 3.11Å; I168-I172 VanDerWaalsContact O-CG1 3.3Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 3.4Å; F169-I172 PolarHBondContact O-N 3.31Å; G170-I172 PolarHBondContact O-N 2.99Å; I172-C174 VanDerWaalsContact C-N 3.34Å; I172-C174 PolarHBondContact O-N 2.9Å; I172-G176 VanDerWaalsContact O-CA 3.27Å; I172-G176 WeakPolarHBondContact O-CA 3.46Å; I172-G176 PolarHBondContact O-N 3.46Å
173N92.4Very high92Very high55 Ų5534.9 Ų34.929%0.29419%0.189SC..Hα-helixtrans-65.9-37.5-178.7-72-15.9000112.1F169 G170 V171 Q251F169-N173 VanDerWaalsContact O-CG 3.29Å; F169-N173 PolarHBondContact O-N 3.06Å; F169-N173 PolarHBondContact O-ND2 3.49Å; G170-N173 PolarHBondContact O-N 2.77Å; V171-N173 VanDerWaalsContact C-N 3.35Å; V171-N173 PolarHBondContact O-N 3.38Å; N173-Q251 PolarHBondContact O-NE2 3.48Å
174C91.8Very high91.1Very high13 Ų1330.3 Ų30.39%0.08817%0.171CC..Hα-helixtrans-87.7-25.5-178-61.70000113.5G170 V171 I172 Y252G170-C174 WeakPolarHBondContact O-CB 3.46Å; G170-C174 PolarHBondContact O-N 3.12Å; G170-C174 PolarHBondContact O-SG 3.37Å; G170-C174 VanDerWaalsContact O-SG 3.36Å; V171-C174 PolarHBondContact O-N 3.13Å; I172-C174 VanDerWaalsContact C-N 3.34Å; I172-C174 PolarHBondContact O-N 2.9Å; C174-Y252 WeakPolarHBondContact O-CD1 3.33Å; C174-Y252 WeakPolarHBondContact O-CE1 3.37Å
175N94.6Very high90Very high19 Ų1931 Ų3110%0.10218%0.175CC..Hα-helixtrans-125.1-0.7-168.2-54.4-93.4000114E128 V171 F177 L192 C197E128-N175 PolarHBondContact O-ND2 3.29Å; V171-N175 WeakPolarHBondContact O-CA 3.45Å; V171-N175 WeakPolarHBondContact O-CB 3.41Å; V171-N175 PolarHBondContact O-N 3.4Å; V171-N175 PolarHBondContact O-ND2 3.25Å; N175-F177 WeakPolarHBondContact O-CD2 3.17Å; N175-F177 WeakPolarHBondContact O-CE2 3.42Å; N175-F177 PolarHBondContact O-N 3.34Å; N175-L192 HydrophobicContact CB-CD1 3.7Å; N175-L192 WeakPolarHBondContact O-CD1 3.38Å; N175-C197 HydrophobicContact CB-CB 4.05Å
176G93.1Very high89.2Confident24 Ų2434.1 Ų34.125%0.24719%0.189CC..PPolyproline II helixtrans-66.6123.8-179.800000112.1I172I172-G176 VanDerWaalsContact O-CA 3.27Å; I172-G176 WeakPolarHBondContact O-CA 3.46Å; I172-G176 PolarHBondContact O-N 3.46Å
177F91.8Very high88.8Confident40 Ų4035.4 Ų35.418%0.17520%0.2CC..EExtended strand (participates in β ladder)trans-96.4131.8175.1-74.9-91.2000111.1N175 V179 V190 G191 F193 L196N175-F177 WeakPolarHBondContact O-CD2 3.17Å; N175-F177 WeakPolarHBondContact O-CE2 3.42Å; N175-F177 PolarHBondContact O-N 3.34Å; F177-V179 PolarHBondContact O-N 3.47Å; F177-V190 CarbonylContact O-C 3.59Å; F177-V190 WeakPolarHBondContact O-CA 3.41Å; F177-G191 PolarHBondContact N-O 3.09Å; F177-G191 PolarHBondContact O-N 3.08Å; F177-F193 HydrophobicContact CB-CD2 3.81Å; F177-F193 HydrophobicContact CB-CE2 3.95Å; F177-F193 HydrophobicContact CD2-CD2 4.14Å; F177-F193 HydrophobicContact CG-CD2 4.24Å; F177-L196 HydrophobicContact CD1-CD2 3.58Å; F177-L196 HydrophobicContact CD1-CG 4.39Å; F177-L196 HydrophobicContact CD2-CD2 3.86Å; F177-L196 HydrophobicContact CD2-CG 4.34Å; F177-L196 HydrophobicContact CE1-CD2 3.48Å; F177-L196 VanDerWaalsContact CE1-CD2 3.48Å; F177-L196 HydrophobicContact CE1-CG 3.81Å; F177-L196 HydrophobicContact CE2-CB 4.18Å; F177-L196 HydrophobicContact CE2-CD2 3.76Å; F177-L196 HydrophobicContact CE2-CG 3.75Å; F177-L196 HydrophobicContact CG-CD2 3.78Å; F177-L196 HydrophobicContact CZ-CB 4.34Å; F177-L196 HydrophobicContact CZ-CD2 3.59Å; F177-L196 HydrophobicContact CZ-CG 3.47Å; F177-L196 VanDerWaalsContact CZ-CG 3.47Å
178T90.4Very high88.7Confident87 Ų8733.9 Ų33.953%0.53419%0.194SC..EExtended strand (participates in β ladder)trans-66.9128.3173.6-66.40000110.7A187 G189T178-A187 HydrophobicContact CG2-CB 3.33Å; T178-G189 WeakPolarHBondContact CA-O 3.43Å
179V90Very high88.6Confident4 Ų433.5 Ų33.52%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-94127.6173.11660000108.9F51 F177 V188 G189 F193 L211F51-V179 HydrophobicContact CB-CG1 3.64Å; F51-V179 HydrophobicContact CD1-CB 4.33Å; F51-V179 HydrophobicContact CD1-CG1 3.48Å; F51-V179 VanDerWaalsContact CD1-CG1 3.48Å; F51-V179 HydrophobicContact CD2-CG1 4.1Å; F51-V179 HydrophobicContact CE1-CG1 4.15Å; F51-V179 HydrophobicContact CG-CG1 3.46Å; F51-V179 VanDerWaalsContact CG-CG1 3.46Å; F177-V179 PolarHBondContact O-N 3.47Å; V179-V188 HydrophobicContact CG1-CG2 4.13Å; V179-V188 WeakPolarHBondContact O-CG2 3.42Å; V179-V188 PolarHBondContact O-N 3.39Å; V179-G189 PolarHBondContact N-O 2.95Å; V179-G189 PolarHBondContact O-N 3.35Å; V179-F193 HydrophobicContact CG2-CZ 4.5Å; V179-L211 HydrophobicContact CB-CD2 4.29Å; V179-L211 HydrophobicContact CG1-CD2 3.43Å; V179-L211 VanDerWaalsContact CG1-CD2 3.43Å; V179-L211 HydrophobicContact CG2-CD2 4.46Å
180S86.9Confident88.5Confident46 Ų4634.1 Ų34.132%0.32220%0.195SC..EExtended strand (participates in β ladder)trans-96157.8177.3-51.50000113.2Q186S180-Q186 VanDerWaalsContact CA-O 3.28Å; S180-Q186 WeakPolarHBondContact CA-O 3.2Å
181D85.4Confident88.4Confident6 Ų634 Ų343%0.03220%0.195CC..PPolyproline II helixtrans-63.5168.2169.684.7-8.1000111.7R53 R183 G184 L185 Q186 V188R53-D181 HydrophobicContact CB-CB 4.48Å; D181-R183 PolarHBondContact O-N 2.84Å; D181-R183 WeakPolarHBondContact OD1-CA 3.47Å; D181-R183 WeakPolarHBondContact OD1-CB 3.38Å; D181-R183 PolarHBondContact OD1-N 2.93Å; D181-R183 IonicContact OD2-CZ 3.13Å; D181-R183 IonicContact OD2-NE 3.5Å; D181-R183 PolarHBondContact OD2-NE 3.37Å; D181-R183 IonicContact OD2-NH2 2.88Å; D181-R183 PolarHBondContact OD2-NH2 2.97Å; D181-G184 PolarHBondContact O-N 2.84Å; D181-G184 PolarHBondContact OD1-N 3.33Å; D181-L185 PolarHBondContact OD1-N 2.84Å; D181-Q186 PolarHBondContact N-O 2.84Å; D181-V188 HydrophobicContact CB-CG1 3.84Å; D181-V188 HydrophobicContact CB-CG2 4.49Å
182Q81.4Confident88.3Confident59 Ų5934 Ų3428%0.27620%0.195SC..THydrogen-bonded Turntrans-61.7-11.6-177.772.4-81.616.200114.7R52 R53R52-Q182 HydrophobicContact CG-CB 4.14Å; R53-Q182 PolarHBondContact O-NE2 3.35Å
183R78.4Confident88.3Confident106 Ų10633.9 Ų33.940%0.419%0.194SC..THydrogen-bonded Turntrans-102.5-2.6178.9-59.4178.3-64.2171.47.4111.9D181 L185 M378 I417D181-R183 PolarHBondContact O-N 2.84Å; D181-R183 WeakPolarHBondContact OD1-CA 3.47Å; D181-R183 WeakPolarHBondContact OD1-CB 3.38Å; D181-R183 PolarHBondContact OD1-N 2.93Å; D181-R183 IonicContact OD2-CZ 3.13Å; D181-R183 IonicContact OD2-NE 3.5Å; D181-R183 PolarHBondContact OD2-NE 3.37Å; D181-R183 IonicContact OD2-NH2 2.88Å; D181-R183 PolarHBondContact OD2-NH2 2.97Å; R183-L185 HydrophobicContact CB-CB 4.46Å; R183-L185 HydrophobicContact CB-CD1 3.87Å; R183-L185 HydrophobicContact CB-CG 3.79Å; R183-L185 PolarHBondContact O-N 3.34Å; R183-M378 WeakPolarHBondContact O-CE 3.2Å; R183-I417 VanDerWaalsContact O-CD1 3.3Å; R183-I417 WeakPolarHBondContact O-CD1 3.38Å
184G75.2Confident88.4Confident29 Ų2931.3 Ų31.330%0.29918%0.18SC..SBendtrans6321.8-177.500000113D181D181-G184 PolarHBondContact O-N 2.84Å; D181-G184 PolarHBondContact OD1-N 3.33Å
185L70.9Confident88.6Confident95 Ų9530.9 Ų30.950%0.49718%0.177SC..SBendtrans-93.8-24.9-172.8-67.8178.8000113D181 R183D181-L185 PolarHBondContact OD1-N 2.84Å; R183-L185 HydrophobicContact CB-CB 4.46Å; R183-L185 HydrophobicContact CB-CD1 3.87Å; R183-L185 HydrophobicContact CB-CG 3.79Å; R183-L185 PolarHBondContact O-N 3.34Å
186Q80.1Confident88.6Confident67 Ų6730 Ų3031%0.31317%0.172SC..SBendtrans-146138-171.9-175.9159.625.200110.4H42 S180 D181 V188H42-Q186 PolarHBondContact CE1-NE2 3.47Å; H42-Q186 PolarHBondContact NE2-NE2 3.34Å; S180-Q186 VanDerWaalsContact CA-O 3.28Å; S180-Q186 WeakPolarHBondContact CA-O 3.2Å; D181-Q186 PolarHBondContact N-O 2.84Å; Q186-V188 HydrophobicContact CB-CG1 4.43Å; Q186-V188 HydrophobicContact CG-CG1 4.31Å; Q186-V188 PolarHBondContact O-N 2.97Å
187A89.3Confident88.8Confident44 Ų4429.4 Ų29.436%0.36416%0.164SC..EExtended strand (participates in β ladder)trans-67.112116500000109.1F39 H42 T178F39-A187 HydrophobicContact CE2-CB 4.02Å; H42-A187 PolarHBondContact CD2-O 3.43Å; H42-A187 VanDerWaalsContact CD2-O 3.31Å; T178-A187 HydrophobicContact CG2-CB 3.33Å
188V92.8Very high89Confident1 Ų127.7 Ų27.71%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-122.3-9.1-172.9-64.60000114.2V38 F39 I46 F51 V179 D181 Q186V38-V188 CarbonylContact C-O 3.43Å; V38-V188 WeakPolarHBondContact CA-O 3.38Å; V38-V188 WeakPolarHBondContact CG1-O 3.23Å; F39-V188 PolarHBondContact N-O 3.38Å; I46-V188 HydrophobicContact CD1-CB 4.08Å; I46-V188 HydrophobicContact CD1-CG1 3.55Å; I46-V188 HydrophobicContact CG1-CB 3.93Å; I46-V188 HydrophobicContact CG1-CG1 3.83Å; I46-V188 HydrophobicContact CG2-CB 4.16Å; I46-V188 HydrophobicContact CG2-CG2 4.25Å; F51-V188 HydrophobicContact CB-CG2 4.15Å; F51-V188 HydrophobicContact CD1-CG2 4.36Å; V179-V188 HydrophobicContact CG1-CG2 4.13Å; V179-V188 WeakPolarHBondContact O-CG2 3.42Å; V179-V188 PolarHBondContact O-N 3.39Å; D181-V188 HydrophobicContact CB-CG1 3.84Å; D181-V188 HydrophobicContact CB-CG2 4.49Å; Q186-V188 HydrophobicContact CB-CG1 4.43Å; Q186-V188 HydrophobicContact CG-CG1 4.31Å; Q186-V188 PolarHBondContact O-N 2.97Å
189G94.1Very high89.4Confident0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-170.5-176.9177.100000112.2V37 F39 T178 V179V37-G189 CarbonylContact O-C 3.56Å; V37-G189 WeakPolarHBondContact O-CA 3.28Å; F39-G189 VanDerWaalsContact CD2-N 3.3Å; F39-G189 WeakPolarHBondContact CE2-O 3.49Å; F39-G189 VanDerWaalsContact CZ-C 3.41Å; F39-G189 WeakPolarHBondContact CZ-O 3.39Å; T178-G189 WeakPolarHBondContact CA-O 3.43Å; V179-G189 PolarHBondContact N-O 2.95Å; V179-G189 PolarHBondContact O-N 3.35Å
190V94.7Very high89.8Confident13 Ų1324.4 Ų24.48%0.07914%0.136CC..EExtended strand (participates in β ladder)trans-131.2141.5175.355.30000108.8A36 V37 F39 L101 F177A36-V190 CarbonylContact C-O 3.41Å; A36-V190 VanDerWaalsContact CA-O 3.26Å; A36-V190 WeakPolarHBondContact CA-O 3.39Å; V37-V190 HydrophobicContact CG2-CG1 3.73Å; V37-V190 PolarHBondContact N-O 2.96Å; V37-V190 PolarHBondContact O-N 3.23Å; F39-V190 HydrophobicContact CE1-CB 3.9Å; F39-V190 HydrophobicContact CE1-CG1 3.9Å; F39-V190 HydrophobicContact CZ-CB 4.21Å; L101-V190 HydrophobicContact CD2-CG1 3.93Å; L101-V190 HydrophobicContact CD2-CG2 4.19Å; F177-V190 CarbonylContact O-C 3.59Å; F177-V190 WeakPolarHBondContact O-CA 3.41Å
191G93.7Very high90.3Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-143.6156.8177.300000112S35 F177S35-G191 CarbonylContact O-C 3.56Å; S35-G191 VanDerWaalsContact O-CA 3.24Å; S35-G191 WeakPolarHBondContact O-CA 3.34Å; F177-G191 PolarHBondContact N-O 3.09Å; F177-G191 PolarHBondContact O-N 3.08Å
192L93.9Very high90.9Very high1 Ų124 Ų241%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-108.9130.7179.4-164.563.6000110S33 L34 S35 I105 L124 V171 N175S33-L192 CarbonylContact C-O 3.58Å; S33-L192 WeakPolarHBondContact CA-O 3.2Å; L34-L192 HydrophobicContact CD2-CD2 4.17Å; L34-L192 PolarHBondContact N-O 3.46Å; S35-L192 PolarHBondContact O-N 2.78Å; I105-L192 HydrophobicContact CD1-CB 4.38Å; I105-L192 HydrophobicContact CD1-CD2 3.81Å; L124-L192 HydrophobicContact CD2-CD2 3.47Å; L124-L192 VanDerWaalsContact CD2-CD2 3.47Å; L124-L192 HydrophobicContact CD2-CG 4.44Å; V171-L192 HydrophobicContact CG1-CD1 4.36Å; V171-L192 HydrophobicContact CG1-CD2 3.88Å; N175-L192 HydrophobicContact CB-CD1 3.7Å; N175-L192 WeakPolarHBondContact O-CD1 3.38Å
193F94.3Very high91.7Very high3 Ų321.3 Ų21.31%0.01312%0.117CC..  trans-131.288.5-172.8-61.4-89000107.7E31 S33 F177 V179 N195 L196 C197 I216E31-F193 HydrophobicContact CG-CB 4.44Å; E31-F193 HydrophobicContact CG-CD1 4.38Å; E31-F193 WeakPolarHBondContact OE2-CB 3.26Å; S33-F193 VanDerWaalsContact CA-CE1 3.46Å; S33-F193 VanDerWaalsContact CB-CE1 3.47Å; F177-F193 HydrophobicContact CB-CD2 3.81Å; F177-F193 HydrophobicContact CB-CE2 3.95Å; F177-F193 HydrophobicContact CD2-CD2 4.14Å; F177-F193 HydrophobicContact CG-CD2 4.24Å; V179-F193 HydrophobicContact CG2-CZ 4.5Å; F193-N195 VanDerWaalsContact C-N 3.28Å; F193-N195 PolarHBondContact O-N 3.37Å; F193-N195 VanDerWaalsContact O-N 3.12Å; F193-L196 HydrophobicContact CB-CB 3.83Å; F193-L196 HydrophobicContact CB-CD2 4.32Å; F193-L196 WeakPolarHBondContact O-CB 3.44Å; F193-L196 PolarHBondContact O-N 3.02Å; F193-C197 PolarHBondContact O-N 3.05Å; F193-C197 VanDerWaalsContact O-N 3.09Å; F193-C197 PolarHBondContact O-SG 2.86Å; F193-I216 HydrophobicContact CB-CG1 4.11Å; F193-I216 HydrophobicContact CD1-CB 4.15Å; F193-I216 HydrophobicContact CD1-CG1 3.4Å; F193-I216 VanDerWaalsContact CD1-CG1 3.4Å; F193-I216 HydrophobicContact CD1-CG2 3.74Å; F193-I216 HydrophobicContact CD2-CG2 4.16Å; F193-I216 HydrophobicContact CE1-CB 4.17Å; F193-I216 HydrophobicContact CE1-CG1 3.92Å; F193-I216 HydrophobicContact CE1-CG2 3.41Å; F193-I216 VanDerWaalsContact CE1-CG2 3.41Å; F193-I216 HydrophobicContact CE2-CG2 3.87Å; F193-I216 HydrophobicContact CG-CG1 3.8Å; F193-I216 HydrophobicContact CG-CG2 4.1Å; F193-I216 HydrophobicContact CZ-CG2 3.47Å; F193-I216 VanDerWaalsContact CZ-CG2 3.47Å
194P93.8Very high92.7Very high0 Ų019.7 Ų19.70%011%0.111CC..THydrogen-bonded Turntrans-51.8-42.4-162.9-3135.7000114.5E31 L34 Q120 T122 C197E31-P194 WeakPolarHBondContact OE1-CD 3.24Å; L34-P194 HydrophobicContact CB-CG 4.05Å; Q120-P194 HydrophobicContact CG-CB 4.01Å; T122-P194 HydrophobicContact CG2-CB 4.19Å; T122-P194 VanDerWaalsContact CG2-O 3.24Å; T122-P194 WeakPolarHBondContact CG2-O 3.44Å; P194-C197 WeakPolarHBondContact O-CB 3.4Å; P194-C197 PolarHBondContact O-N 3.35Å
195N95.2Very high93.8Very high4 Ų419 Ų192%0.02110%0.101CC..THydrogen-bonded Turntrans-70.4-38.3179.4-66-57.4000113M1 F29 E31 Q120 L121 F193 C197 L198M1-N195 HydrophobicContact CE-CB 3.2Å; M1-N195 VanDerWaalsContact CE-OD1 3.28Å; M1-N195 WeakPolarHBondContact CE-OD1 3.28Å; F29-N195 HydrophobicContact CE2-CB 4.15Å; F29-N195 HydrophobicContact CZ-CB 4.34Å; E31-N195 WeakPolarHBondContact OE1-CB 3.29Å; E31-N195 VanDerWaalsContact OE1-CG 3.27Å; E31-N195 PolarHBondContact OE1-N 3.45Å; E31-N195 PolarHBondContact OE1-ND2 2.92Å; E31-N195 WeakPolarHBondContact OE2-CB 3.38Å; E31-N195 PolarHBondContact OE2-N 3.1Å; Q120-N195 WeakPolarHBondContact CA-OD1 3.4Å; L121-N195 VanDerWaalsContact CB-OD1 3.3Å; L121-N195 WeakPolarHBondContact CB-OD1 3.5Å; L121-N195 WeakPolarHBondContact CG-OD1 3.19Å; L121-N195 PolarHBondContact N-OD1 3.37Å; F193-N195 VanDerWaalsContact C-N 3.28Å; F193-N195 PolarHBondContact O-N 3.37Å; F193-N195 VanDerWaalsContact O-N 3.12Å; N195-C197 PolarHBondContact O-N 3.47Å; N195-L198 WeakPolarHBondContact O-CB 3.45Å; N195-L198 PolarHBondContact O-N 3.04Å
196L95.7Very high95.1Very high0 Ų015.6 Ų15.60%08%0.084CC..G310 helixtrans-65.2-28.1177.3-172.964.2000112.4F29 E31 F177 F193 L198 V199 V209 I216 L218F29-L196 HydrophobicContact CZ-CD1 4.31Å; E31-L196 PolarHBondContact OE2-N 3.16Å; E31-L196 VanDerWaalsContact OE2-N 3.15Å; F177-L196 HydrophobicContact CD1-CD2 3.58Å; F177-L196 HydrophobicContact CD1-CG 4.39Å; F177-L196 HydrophobicContact CD2-CD2 3.86Å; F177-L196 HydrophobicContact CD2-CG 4.34Å; F177-L196 HydrophobicContact CE1-CD2 3.48Å; F177-L196 VanDerWaalsContact CE1-CD2 3.48Å; F177-L196 HydrophobicContact CE1-CG 3.81Å; F177-L196 HydrophobicContact CE2-CB 4.18Å; F177-L196 HydrophobicContact CE2-CD2 3.76Å; F177-L196 HydrophobicContact CE2-CG 3.75Å; F177-L196 HydrophobicContact CG-CD2 3.78Å; F177-L196 HydrophobicContact CZ-CB 4.34Å; F177-L196 HydrophobicContact CZ-CD2 3.59Å; F177-L196 HydrophobicContact CZ-CG 3.47Å; F177-L196 VanDerWaalsContact CZ-CG 3.47Å; F193-L196 HydrophobicContact CB-CB 3.83Å; F193-L196 HydrophobicContact CB-CD2 4.32Å; F193-L196 WeakPolarHBondContact O-CB 3.44Å; F193-L196 PolarHBondContact O-N 3.02Å; L196-L198 PolarHBondContact O-N 3.35Å; L196-L198 VanDerWaalsContact O-N 3.16Å; L196-V199 HydrophobicContact CD1-CB 4.48Å; L196-V199 HydrophobicContact CD1-CG2 4.06Å; L196-V199 WeakPolarHBondContact O-CB 3.27Å; L196-V199 PolarHBondContact O-N 3.15Å; L196-V209 HydrophobicContact CD1-CG1 4.46Å; L196-V209 HydrophobicContact CD1-CG2 3.74Å; L196-V209 HydrophobicContact CD2-CG1 3.62Å; L196-V209 HydrophobicContact CD2-CG2 4.09Å; L196-V209 HydrophobicContact CG-CG2 4.46Å; L196-I216 HydrophobicContact CB-CD1 4.27Å; L196-I216 HydrophobicContact CD2-CD1 4.1Å; L196-I216 HydrophobicContact CD2-CG1 4.07Å; L196-L218 HydrophobicContact CD1-CD1 3.99Å
197C95.9Very high96Very high12 Ų1212.5 Ų12.58%0.0817%0.069CC..G310 helixtrans-63.5-17176.3-54.40000112.9L127 N175 F193 P194 N195 V199L127-C197 HydrophobicContact CD1-CB 4.1Å; L127-C197 HydrophobicContact CD2-CB 3.61Å; N175-C197 HydrophobicContact CB-CB 4.05Å; F193-C197 PolarHBondContact O-N 3.05Å; F193-C197 VanDerWaalsContact O-N 3.09Å; F193-C197 PolarHBondContact O-SG 2.86Å; P194-C197 WeakPolarHBondContact O-CB 3.4Å; P194-C197 PolarHBondContact O-N 3.35Å; N195-C197 PolarHBondContact O-N 3.47Å; C197-V199 VanDerWaalsContact C-N 3.34Å
198L96.9Very high96.4Very high5 Ų511.4 Ų11.43%0.0266%0.058CC..G310 helixtrans-86.1-3.3175.9-59.4169.8000113.3I6 G15 L16 L121 T122 N195 L196I6-L198 HydrophobicContact CD1-CD1 4.22Å; I6-L198 HydrophobicContact CG1-CD1 4.17Å; G15-L198 CarbonylContact C-O 3.58Å; G15-L198 WeakPolarHBondContact CA-O 2.75Å; L16-L198 HydrophobicContact CD1-CB 4.18Å; L16-L198 HydrophobicContact CD2-CB 4.02Å; L16-L198 HydrophobicContact CD2-CD1 3.99Å; L16-L198 HydrophobicContact CG-CB 3.72Å; L16-L198 PolarHBondContact N-O 3.02Å; L121-L198 HydrophobicContact CB-CD1 3.86Å; T122-L198 HydrophobicContact CG2-CD1 3.9Å; T122-L198 HydrophobicContact CG2-CD2 4.02Å; T122-L198 HydrophobicContact CG2-CG 3.91Å; N195-L198 WeakPolarHBondContact O-CB 3.45Å; N195-L198 PolarHBondContact O-N 3.04Å; L196-L198 PolarHBondContact O-N 3.35Å; L196-L198 VanDerWaalsContact O-N 3.16Å
199V98Very high96.5Very high0 Ų013.4 Ų13.40%07%0.07CC..  trans-89.7110.6-177.9-175.90000109.2L16 F29 L196 C197 L218 L230 V232 Y234L16-V199 HydrophobicContact CD1-CG2 3.78Å; L16-V199 HydrophobicContact CG-CG2 4.39Å; F29-V199 HydrophobicContact CZ-CG2 4.41Å; L196-V199 HydrophobicContact CD1-CB 4.48Å; L196-V199 HydrophobicContact CD1-CG2 4.06Å; L196-V199 WeakPolarHBondContact O-CB 3.27Å; L196-V199 PolarHBondContact O-N 3.15Å; C197-V199 VanDerWaalsContact C-N 3.34Å; V199-L218 HydrophobicContact CG2-CD2 4.02Å; V199-L230 WeakPolarHBondContact CG1-O 3.38Å; V199-V232 HydrophobicContact CB-CG2 4.48Å; V199-V232 HydrophobicContact CG1-CB 4.34Å; V199-V232 HydrophobicContact CG1-CG1 3.8Å; V199-V232 HydrophobicContact CG1-CG2 3.94Å; V199-Y234 PolarHBondContact O-OH 2.87Å
200N98.3Very high96.3Very high22 Ų2214.6 Ų14.612%0.1188%0.076CC..EExtended strand (participates in β ladder)trans-67.7164.9-177.3-76.9-36.2000113.7K12 R14 E229 T231 V232K12-N200 HydrophobicContact CD-CB 4.39Å; R14-N200 PolarHBondContact O-ND2 3.13Å; R14-N200 VanDerWaalsContact O-ND2 3.08Å; R14-N200 PolarHBondContact O-OD1 2.77Å; N200-E229 PolarHBondContact ND2-OE1 3.32Å; N200-T231 CarbonylContact O-C 3.59Å; N200-T231 WeakPolarHBondContact O-CA 3.24Å; N200-T231 WeakPolarHBondContact O-CB 3.29Å; N200-V232 PolarHBondContact O-N 3.44Å
201H98.1Very high95.9Very high10 Ų1015.8 Ų15.85%0.0468%0.082CC..EExtended strand (participates in β ladder)trans-79.5140.6176.1-179.455.1000113.6C203 V232 Y234 L248 F254H201-C203 PolarHBondContact NE2-N 3.14Å; H201-C203 PolarHBondContact NE2-SG 3.32Å; H201-V232 VanDerWaalsContact CA-O 3.26Å; H201-V232 WeakPolarHBondContact CA-O 3.44Å; H201-V232 PolarHBondContact ND1-O 2.88Å; H201-V232 VanDerWaalsContact ND1-O 3.11Å; H201-Y234 HydrophobicContact CB-CD1 4.24Å; H201-Y234 HydrophobicContact CB-CD2 3.8Å; H201-Y234 HydrophobicContact CB-CE1 4.28Å; H201-Y234 HydrophobicContact CB-CE2 3.86Å; H201-Y234 HydrophobicContact CB-CG 3.98Å; H201-Y234 PolarHBondContact CE1-N 2.83Å; H201-Y234 AromaticContact ND1-CG 3.91Å; H201-Y234 PolarHBondContact ND1-N 2.87Å; H201-L248 VanDerWaalsContact CD2-CD1 3.44Å; H201-L248 WeakPolarHBondContact CD2-CD1 3.21Å; H201-L248 VanDerWaalsContact NE2-CD1 3.33Å; H201-L248 WeakPolarHBondContact NE2-CD1 3.35Å; H201-F254 HydrophobicContact CB-CE1 4.41Å; H201-F254 HydrophobicContact CB-CE2 4.39Å; H201-F254 HydrophobicContact CB-CZ 3.63Å; H201-F254 AromaticContact CD2-CZ 3.71Å; H201-F254 AromaticContact CG-CZ 3.91Å
202D98.6Very high95.4Very high32 Ų3216 Ų1617%0.1718%0.083CC..  trans-139.7142.6152.4-161.2-58.1000109.5W204 T231 V232 A233 C258D202-W204 PolarHBondContact O-N 3.47Å; D202-W204 PolarHBondContact OD1-N 3.47Å; D202-T231 HydrophobicContact CB-CG2 4.03Å; D202-T231 WeakPolarHBondContact CB-OG1 3.41Å; D202-V232 PolarHBondContact N-O 3.41Å; D202-A233 WeakPolarHBondContact O-CA 3.29Å; D202-C258 VanDerWaalsContact CG-CB 3.49Å; D202-C258 VanDerWaalsContact OD1-CB 3.28Å; D202-C258 WeakPolarHBondContact OD1-CB 3.39Å; D202-C258 VanDerWaalsContact OD2-CB 3.29Å; D202-C258 WeakPolarHBondContact OD2-CB 3.4Å
203C98.3Very high94.6Very high3 Ų321.5 Ų21.52%0.0211%0.109CC..SBendtrans-67.6-24.4176.5-71.10000112.1H201 P205 Y237 R244 C258 H260 C261H201-C203 PolarHBondContact NE2-N 3.14Å; H201-C203 PolarHBondContact NE2-SG 3.32Å; C203-P205 WeakPolarHBondContact O-CD 3.49Å; C203-Y237 HydrophobicContact CB-CD2 4.19Å; C203-Y237 HydrophobicContact CB-CE2 4.46Å; C203-Y237 WeakPolarHBondContact O-CD2 3.4Å; C203-R244 PolarHBondContact SG-NE 3.26Å; C203-C258 VanDerWaalsContact CB-SG 3.59Å; C203-H260 HydrophobicContact CB-CB 4.33Å; C203-C261 PolarHBondContact SG-SG 2.96Å
204W98.2Very high93.7Very high73 Ų7323.3 Ų23.328%0.27713%0.129SC..SBendtrans-12273174.3-164.1-95.6000110.1D202 Y237 H260 H370D202-W204 PolarHBondContact O-N 3.47Å; D202-W204 PolarHBondContact OD1-N 3.47Å; W204-Y237 HydrophobicContact CE3-CD1 4.43Å; W204-Y237 HydrophobicContact CE3-CD2 4.25Å; W204-Y237 HydrophobicContact CE3-CE1 4.13Å; W204-Y237 AromaticContact CE3-CE2 3.91Å; W204-Y237 HydrophobicContact CE3-CE2 3.91Å; W204-Y237 HydrophobicContact CE3-CG 4.49Å; W204-Y237 AromaticContact CE3-CZ 3.84Å; W204-Y237 HydrophobicContact CZ3-CD1 4.17Å; W204-Y237 AromaticContact CZ3-CE1 3.78Å; W204-Y237 HydrophobicContact CZ3-CE1 3.78Å; W204-Y237 HydrophobicContact CZ3-CE2 4.39Å; W204-Y237 AromaticContact CZ3-CZ 3.89Å; W204-H260 WeakPolarHBondContact CB-CD2 3.4Å; W204-H260 VanDerWaalsContact CB-NE2 3.28Å; W204-H260 WeakPolarHBondContact CB-NE2 3.43Å; W204-H260 AromaticContact CD1-NE2 3.78Å; W204-H260 AromaticContact CD2-CE1 3.49Å; W204-H260 VanDerWaalsContact CD2-CE1 3.49Å; W204-H260 AromaticContact CD2-NE2 3.54Å; W204-H260 AromaticContact CE3-CE1 3.48Å; W204-H260 VanDerWaalsContact CE3-CE1 3.48Å; W204-H260 AromaticContact CE3-NE2 3.99Å; W204-H260 AromaticContact CG-CD2 3.83Å; W204-H260 AromaticContact CG-CE1 3.7Å; W204-H260 AromaticContact CG-NE2 3.24Å; W204-H370 HydrophobicContact CD2-CB 4.36Å; W204-H370 AromaticContact CE2-CD2 3.58Å; W204-H370 HydrophobicContact CE3-CB 4.4Å; W204-H370 HydrophobicContact CH2-CB 3.77Å; W204-H370 HydrophobicContact CZ2-CB 3.66Å; W204-H370 AromaticContact CZ2-CD2 3.55Å; W204-H370 HydrophobicContact CZ3-CB 4.12Å; W204-H370 AromaticContact NE1-CD2 3.52Å
205P98.4Very high93.5Very high14 Ų1428.5 Ų28.59%0.09115%0.148CC..  trans-72.4156-166.431.9-38.1000112.5C203 C207 L221 T231 A233C203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-C207 WeakPolarHBondContact CB-O 3.13Å; P205-L221 HydrophobicContact CG-CD1 4.2Å; P205-T231 VanDerWaalsContact CB-O 3.27Å; P205-T231 WeakPolarHBondContact CB-O 3.21Å; P205-A233 HydrophobicContact CG-CB 3.92Å
206N98.8Very high93.3Very high24 Ų2428.6 Ų28.613%0.12815%0.149CC..SBendtrans-89.2-9168.763.310.3000112.9L221 I224 E228 E229 T231N206-L221 PolarHBondContact O-N 3.19Å; N206-I224 HydrophobicContact CB-CD1 4.03Å; N206-I224 HydrophobicContact CB-CG1 4.1Å; N206-E228 PolarHBondContact ND2-OE1 2.86Å; N206-E229 PolarHBondContact ND2-O 3.34Å; N206-T231 PolarHBondContact OD1-N 2.91Å; N206-T231 PolarHBondContact OD1-O 2.96Å
207C98.7Very high93.3Very high1 Ų129.7 Ų29.71%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-125.9161.6176.8-55.70000113.4I28 P205 L218 R219 T231 V232I28-C207 WeakPolarHBondContact CD1-SG 3.35Å; P205-C207 WeakPolarHBondContact CB-O 3.13Å; C207-L218 HydrophobicContact CB-CD1 3.65Å; C207-L218 HydrophobicContact CB-CG 4.08Å; C207-R219 CarbonylContact C-O 3.52Å; C207-R219 WeakPolarHBondContact CA-O 3.11Å; C207-T231 WeakPolarHBondContact CA-O 3.49Å; C207-T231 VanDerWaalsContact CB-O 3.26Å; C207-T231 WeakPolarHBondContact CB-O 3.48Å; C207-T231 PolarHBondContact N-O 3.49Å; C207-V232 HydrophobicContact CB-CG1 3.94Å
208T97.4Very high93.4Very high22 Ų2229.1 Ų29.114%0.13515%0.15CC..EExtended strand (participates in β ladder)trans-132.6152.8170-171.80000110.2R219 L221 T410T208-R219 HydrophobicContact CG2-CB 4.01Å; T208-R219 PolarHBondContact N-O 2.87Å; T208-R219 PolarHBondContact O-N 2.82Å; T208-L221 HydrophobicContact CG2-CD2 3.57Å; T208-L221 HydrophobicContact CG2-CG 4.24Å; T208-T410 HydrophobicContact CG2-CG2 4.14Å
209V94.4Very high93.4Very high42 Ų4229.5 Ų29.526%0.25515%0.151SC..EExtended strand (participates in β ladder)trans-107.8135.5176.3-171.90000109.2L196 I216 E217 L218 V232L196-V209 HydrophobicContact CD1-CG1 4.46Å; L196-V209 HydrophobicContact CD1-CG2 3.74Å; L196-V209 HydrophobicContact CD2-CG1 3.62Å; L196-V209 HydrophobicContact CD2-CG2 4.09Å; L196-V209 HydrophobicContact CG-CG2 4.46Å; V209-I216 HydrophobicContact CG1-CB 4.13Å; V209-I216 HydrophobicContact CG1-CG2 4.32Å; V209-E217 WeakPolarHBondContact CA-O 3.45Å; V209-L218 HydrophobicContact CG2-CD1 4Å; V209-V232 HydrophobicContact CG2-CB 4.42Å; V209-V232 HydrophobicContact CG2-CG1 3.79Å
210I91.6Very high93.5Very high25 Ų2529.5 Ų29.513%0.12815%0.151CC..EExtended strand (participates in β ladder)trans-134.9145170.8-167.158.8000111.2I216 E217 H411I210-I216 CarbonylContact O-C 3.55Å; I210-I216 VanDerWaalsContact O-CA 3.31Å; I210-I216 WeakPolarHBondContact O-CA 3.4Å; I210-E217 HydrophobicContact CG2-CB 3.94Å; I210-E217 PolarHBondContact N-O 3.31Å; I210-E217 PolarHBondContact O-N 3.4Å; I210-H411 WeakPolarHBondContact CD1-CD2 3.38Å; I210-H411 WeakPolarHBondContact CD1-NE2 3.42Å; I210-H411 HydrophobicContact CG1-CB 4.36Å
211L86.6Confident93.5Very high38 Ų3828.8 Ų28.820%0.19915%0.147CC..EExtended strand (participates in β ladder)trans-90.4110.1172.1-179.171000110.1V179 R215 I216 H415V179-L211 HydrophobicContact CB-CD2 4.29Å; V179-L211 HydrophobicContact CG1-CD2 3.43Å; V179-L211 VanDerWaalsContact CG1-CD2 3.43Å; V179-L211 HydrophobicContact CG2-CD2 4.46Å; L211-R215 CarbonylContact C-O 3.59Å; L211-I216 HydrophobicContact CD1-CG2 4.16Å; L211-H415 PolarHBondContact O-NE2 3.21Å; L211-H415 VanDerWaalsContact O-NE2 3.09Å
212N83.1Confident93.5Very high4 Ų429.3 Ų29.32%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-118.5120.6179.5-161.811.4000110.9G214 R215 E217 T414N212-G214 PolarHBondContact O-N 3.14Å; N212-G214 VanDerWaalsContact O-N 3.13Å; N212-R215 CarbonylContact C-O 3.47Å; N212-R215 PolarHBondContact N-O 3.17Å; N212-R215 PolarHBondContact O-N 2.82Å; N212-E217 HydrophobicContact CB-CG 4.2Å; N212-E217 WeakPolarHBondContact CB-OE1 3.2Å; N212-E217 PolarHBondContact ND2-OE1 3.36Å; N212-T414 PolarHBondContact ND2-OG1 3.05Å; N212-T414 VanDerWaalsContact ND2-OG1 3.15Å
213H75.9Confident93.4Very high117 Ų11733.4 Ų33.454%0.54217%0.172SC..THydrogen-bonded Turntrans51.236.1178-59.387.7000115.1R215 T414H213-R215 VanDerWaalsContact C-N 3.33Å; H213-T414 PolarHBondContact CE1-O 3.25Å
214G76.6Confident93.5Very high42 Ų4233.3 Ų33.343%0.43317%0.171SC..THydrogen-bonded Turntrans8110179.800000114.6N212N212-G214 PolarHBondContact O-N 3.14Å; N212-G214 VanDerWaalsContact O-N 3.13Å
215R88.5Confident93.5Very high109 Ų10932 Ų3241%0.41118%0.176SC..EExtended strand (participates in β ladder)trans-123.6145.3172.2-57.8-177.567.488.81.8109.3S30 E31 L211 N212 H213S30-R215 PolarHBondContact O-NH2 2.98Å; S30-R215 PolarHBondContact OG-NE 3.02Å; S30-R215 VanDerWaalsContact OG-NE 3.17Å; E31-R215 CarbonylContact O-C 3.43Å; E31-R215 VanDerWaalsContact O-CA 3.28Å; E31-R215 WeakPolarHBondContact O-CA 3.16Å; E31-R215 WeakPolarHBondContact O-CB 3.32Å; L211-R215 CarbonylContact C-O 3.59Å; N212-R215 CarbonylContact C-O 3.47Å; N212-R215 PolarHBondContact N-O 3.17Å; N212-R215 PolarHBondContact O-N 2.82Å; H213-R215 VanDerWaalsContact C-N 3.33Å
216I91.4Very high93.5Very high6 Ų638.3 Ų38.33%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-77.7151.8167.562.579.2000109.5F29 S30 E31 F193 L196 V209 I210 L211F29-I216 HydrophobicContact CD2-CD1 4.38Å; F29-I216 HydrophobicContact CE2-CD1 3.91Å; S30-I216 CarbonylContact C-O 3.59Å; S30-I216 WeakPolarHBondContact CA-O 3.47Å; S30-I216 WeakPolarHBondContact CB-O 3.49Å; S30-I216 PolarHBondContact OG-O 3.15Å; E31-I216 HydrophobicContact CB-CD1 3.71Å; E31-I216 HydrophobicContact CB-CG1 4.04Å; E31-I216 PolarHBondContact N-O 3.14Å; E31-I216 PolarHBondContact O-N 2.9Å; F193-I216 HydrophobicContact CB-CG1 4.11Å; F193-I216 HydrophobicContact CD1-CB 4.15Å; F193-I216 HydrophobicContact CD1-CG1 3.4Å; F193-I216 VanDerWaalsContact CD1-CG1 3.4Å; F193-I216 HydrophobicContact CD1-CG2 3.74Å; F193-I216 HydrophobicContact CD2-CG2 4.16Å; F193-I216 HydrophobicContact CE1-CB 4.17Å; F193-I216 HydrophobicContact CE1-CG1 3.92Å; F193-I216 HydrophobicContact CE1-CG2 3.41Å; F193-I216 VanDerWaalsContact CE1-CG2 3.41Å; F193-I216 HydrophobicContact CE2-CG2 3.87Å; F193-I216 HydrophobicContact CG-CG1 3.8Å; F193-I216 HydrophobicContact CG-CG2 4.1Å; F193-I216 HydrophobicContact CZ-CG2 3.47Å; F193-I216 VanDerWaalsContact CZ-CG2 3.47Å; L196-I216 HydrophobicContact CB-CD1 4.27Å; L196-I216 HydrophobicContact CD2-CD1 4.1Å; L196-I216 HydrophobicContact CD2-CG1 4.07Å; V209-I216 HydrophobicContact CG1-CB 4.13Å; V209-I216 HydrophobicContact CG1-CG2 4.32Å; I210-I216 CarbonylContact O-C 3.55Å; I210-I216 VanDerWaalsContact O-CA 3.31Å; I210-I216 WeakPolarHBondContact O-CA 3.4Å; L211-I216 HydrophobicContact CD1-CG2 4.16Å
217E95.3Very high93.5Very high23 Ų2339.3 Ų39.311%0.10722%0.22CC..EExtended strand (participates in β ladder)trans-125.5126.7168.1-66178.8-174.500107.6V27 F29 V209 I210 N212 R219V27-E217 HydrophobicContact CG1-CB 4.42Å; V27-E217 HydrophobicContact CG1-CG 4.44Å; F29-E217 WeakPolarHBondContact O-CA 3.41Å; V209-E217 WeakPolarHBondContact CA-O 3.45Å; I210-E217 HydrophobicContact CG2-CB 3.94Å; I210-E217 PolarHBondContact N-O 3.31Å; I210-E217 PolarHBondContact O-N 3.4Å; N212-E217 HydrophobicContact CB-CG 4.2Å; N212-E217 WeakPolarHBondContact CB-OE1 3.2Å; N212-E217 PolarHBondContact ND2-OE1 3.36Å; E217-R219 HydrophobicContact CB-CG 4.33Å; E217-R219 IonicContact OE2-CZ 2.91Å; E217-R219 IonicContact OE2-NE 3.36Å; E217-R219 PolarHBondContact OE2-NE 2.84Å; E217-R219 IonicContact OE2-NH2 2.8Å; E217-R219 PolarHBondContact OE2-NH2 3.38Å
218L97.6Very high93.5Very high0 Ų042.9 Ų42.90%024%0.236CC..EExtended strand (participates in β ladder)trans-89.8120.2165.9-174.672.9000107.9I28 F29 L196 V199 C207 V209 L230 V232I28-L218 HydrophobicContact CB-CB 4.44Å; I28-L218 HydrophobicContact CB-CD2 4.26Å; I28-L218 HydrophobicContact CB-CG 4.41Å; I28-L218 WeakPolarHBondContact CB-O 3.45Å; I28-L218 HydrophobicContact CD1-CD2 4.1Å; I28-L218 HydrophobicContact CD1-CG 4.24Å; I28-L218 HydrophobicContact CG2-CD2 4.22Å; I28-L218 PolarHBondContact N-O 3.42Å; F29-L218 HydrophobicContact CD1-CB 4.26Å; F29-L218 HydrophobicContact CD1-CD2 4.04Å; F29-L218 HydrophobicContact CE1-CB 3.99Å; F29-L218 HydrophobicContact CE1-CD2 3.35Å; F29-L218 HydrophobicContact CE1-CG 4.3Å; F29-L218 HydrophobicContact CE2-CB 4.25Å; F29-L218 HydrophobicContact CZ-CB 3.97Å; F29-L218 HydrophobicContact CZ-CD2 3.84Å; F29-L218 PolarHBondContact O-N 3Å; L196-L218 HydrophobicContact CD1-CD1 3.99Å; V199-L218 HydrophobicContact CG2-CD2 4.02Å; C207-L218 HydrophobicContact CB-CD1 3.65Å; C207-L218 HydrophobicContact CB-CG 4.08Å; V209-L218 HydrophobicContact CG2-CD1 4Å; L218-L230 HydrophobicContact CD2-CD1 4.27Å; L218-V232 HydrophobicContact CD1-CG1 3.56Å
219R98.4Very high93.5Very high12 Ų1243.7 Ų43.75%0.04524%0.238CC..EExtended strand (participates in β ladder)trans-121.4140.2-174.9-72170.7162.7-82-10.7111.2G25 D26 V27 C207 T208 E217 T410 H411G25-R219 PolarHBondContact O-NH1 2.97Å; D26-R219 VanDerWaalsContact O-CA 3.29Å; D26-R219 WeakPolarHBondContact O-CA 3.49Å; V27-R219 HydrophobicContact CG2-CG 4.25Å; V27-R219 VanDerWaalsContact CG2-NH2 3.26Å; C207-R219 CarbonylContact C-O 3.52Å; C207-R219 WeakPolarHBondContact CA-O 3.11Å; T208-R219 HydrophobicContact CG2-CB 4.01Å; T208-R219 PolarHBondContact N-O 2.87Å; T208-R219 PolarHBondContact O-N 2.82Å; E217-R219 HydrophobicContact CB-CG 4.33Å; E217-R219 IonicContact OE2-CZ 2.91Å; E217-R219 IonicContact OE2-NE 3.36Å; E217-R219 PolarHBondContact OE2-NE 2.84Å; E217-R219 IonicContact OE2-NH2 2.8Å; E217-R219 PolarHBondContact OE2-NH2 3.38Å; R219-T410 WeakPolarHBondContact CD-O 3.26Å; R219-H411 PolarHBondContact NE-O 3.2Å
220S98.6Very high93.7Very high0 Ų041.7 Ų41.70%023%0.226CC..EExtended strand (participates in β ladder)trans-73.9133.2174.845.70000111.4W23 G25 D26W23-S220 PolarHBondContact O-OG 3.24Å; G25-S220 PolarHBondContact N-O 2.97Å; D26-S220 PolarHBondContact N-OG 3.43Å; D26-S220 PolarHBondContact O-N 3.47Å; D26-S220 VanDerWaalsContact O-N 3.14Å; D26-S220 PolarHBondContact O-OG 2.83Å
221L98.6Very high94.1Very high7 Ų740.9 Ų40.94%0.03722%0.223CC..SBendtrans-85.6-14.5176.3-69.5-179.4000113.2P205 N206 T208 N372 V409 T410P205-L221 HydrophobicContact CG-CD1 4.2Å; N206-L221 PolarHBondContact O-N 3.19Å; T208-L221 HydrophobicContact CG2-CD2 3.57Å; T208-L221 HydrophobicContact CG2-CG 4.24Å; L221-N372 HydrophobicContact CD2-CB 4.11Å; L221-N372 WeakPolarHBondContact CD2-O 3.24Å; L221-N372 PolarHBondContact O-ND2 3.01Å; L221-V409 HydrophobicContact CD2-CG1 4.49Å; L221-T410 HydrophobicContact CD2-CG2 3.9Å
222G97.8Very high94.6Very high22 Ų2239.2 Ų39.223%0.22721%0.214CC..SBendtrans-160.1-162.4-174.500000111.2W23 A24W23-G222 CarbonylContact C-O 3.58Å; A24-G222 PolarHBondContact N-O 2.9Å
223K98.4Very high95.3Very high118 Ų11841.2 Ų41.251%0.51323%0.231SC..  trans-74133.8170.2-173.7179.3-179.6174.90109.3E21 F22 W23E21-K223 WeakPolarHBondContact OE1-CE 3.27Å; E21-K223 IonicContact OE1-NZ 2.81Å; E21-K223 PolarHBondContact OE1-NZ 3.04Å; F22-K223 VanDerWaalsContact O-CA 3.32Å; F22-K223 WeakPolarHBondContact O-CA 3.47Å; W23-K223 HydrophobicContact CE3-CB 4.41Å; W23-K223 HydrophobicContact CE3-CG 4.36Å; W23-K223 HydrophobicContact CH2-CD 3.92Å; W23-K223 HydrophobicContact CZ3-CB 4.44Å; W23-K223 HydrophobicContact CZ3-CD 3.93Å; W23-K223 HydrophobicContact CZ3-CG 4.24Å
224I98.8Very high96.2Very high0 Ų038.3 Ų38.30%022%0.216CC..BIsolated β-bridgetrans-127.1126.7175-56.7177.7000107.8A18 E21 F22 I28 N206 E228 L230A18-I224 HydrophobicContact CB-CG2 3.95Å; E21-I224 WeakPolarHBondContact CA-O 3.33Å; F22-I224 HydrophobicContact CB-CB 4.26Å; F22-I224 HydrophobicContact CD2-CB 4.42Å; F22-I224 PolarHBondContact N-O 3.49Å; F22-I224 PolarHBondContact O-N 2.98Å; I28-I224 HydrophobicContact CD1-CD1 4.21Å; N206-I224 HydrophobicContact CB-CD1 4.03Å; N206-I224 HydrophobicContact CB-CG1 4.1Å; I224-E228 HydrophobicContact CG2-CB 3.86Å; I224-E228 HydrophobicContact CG2-CG 4.26Å; I224-L230 HydrophobicContact CD1-CD2 3.87Å; I224-L230 HydrophobicContact CG2-CD2 3.93Å
225A98.7Very high97.1Very high46 Ų4637.4 Ų37.438%0.3820%0.202SC..  trans-79.6154.8179.100000112A18 G227 E228A18-A225 WeakPolarHBondContact CB-O 3.38Å; A225-G227 PolarHBondContact O-N 3.32Å; A225-E228 PolarHBondContact N-OE2 2.89Å; A225-E228 VanDerWaalsContact O-CB 3.23Å; A225-E228 WeakPolarHBondContact O-CB 3.47Å; A225-E228 PolarHBondContact O-N 2.94Å; A225-E228 VanDerWaalsContact O-N 3.15Å
226E98.5Very high97.3Very high147 Ų14735.9 Ų35.969%0.68720%0.202SC*.THydrogen-bonded Turntrans-57.5133168.8-176.9-179.1170.800110.3E228E226-E228 VanDerWaalsContact C-N 3.32Å
227G98.3Very high97.5Very high44 Ų4436 Ų3645%0.45420%0.202SC..THydrogen-bonded Turntrans86.6-9.8-177.700000115.3A18 A225A18-G227 PolarHBondContact O-N 2.87Å; A225-G227 PolarHBondContact O-N 3.32Å
228E98.6Very high97.5Very high77 Ų7735.9 Ų35.936%0.3620%0.202SC..PPolyproline II helixtrans-69.8139.9177.2-165.3-177.9142.600111.4K17 A18 N206 I224 A225 E226K17-E228 CarbonylContact C-O 3.46Å; K17-E228 WeakPolarHBondContact CA-O 3.42Å; K17-E228 WeakPolarHBondContact CB-O 3.39Å; A18-E228 PolarHBondContact N-O 2.9Å; N206-E228 PolarHBondContact ND2-OE1 2.86Å; I224-E228 HydrophobicContact CG2-CB 3.86Å; I224-E228 HydrophobicContact CG2-CG 4.26Å; A225-E228 PolarHBondContact N-OE2 2.89Å; A225-E228 VanDerWaalsContact O-CB 3.23Å; A225-E228 WeakPolarHBondContact O-CB 3.47Å; A225-E228 PolarHBondContact O-N 2.94Å; A225-E228 VanDerWaalsContact O-N 3.15Å; E226-E228 VanDerWaalsContact C-N 3.32Å
229E98.7Very high97.4Very high38 Ų3838.2 Ų38.218%0.17822%0.215CC..BIsolated β-bridgetrans-64.7134.4174.2-178173.3-14200110F7 S9 K12 N200 N206 T231F7-E229 HydrophobicContact CE1-CB 4.22Å; F7-E229 HydrophobicContact CE1-CG 3.94Å; F7-E229 HydrophobicContact CZ-CB 3.76Å; F7-E229 HydrophobicContact CZ-CG 3.65Å; S9-E229 WeakPolarHBondContact CB-OE1 3.48Å; S9-E229 PolarHBondContact OG-OE1 3.26Å; K12-E229 IonicContact NZ-OE1 3.96Å; K12-E229 IonicContact NZ-OE2 3.73Å; K12-E229 PolarHBondContact NZ-OE2 3.12Å; N200-E229 PolarHBondContact ND2-OE1 3.32Å; N206-E229 PolarHBondContact ND2-O 3.34Å; E229-T231 HydrophobicContact CG-CG2 3.92Å
230L98.8Very high97.4Very high0 Ų039.1 Ų39.10%022%0.221CC..PPolyproline II helixtrans-89.2126.9173.4-58179.4000108.8V4 L16 A18 I28 V199 L218 I224V4-L230 HydrophobicContact CB-CD1 4.35Å; V4-L230 HydrophobicContact CG1-CD1 3.49Å; V4-L230 VanDerWaalsContact CG1-CD1 3.49Å; L16-L230 HydrophobicContact CB-CB 4.47Å; L16-L230 HydrophobicContact CB-CD1 4.27Å; L16-L230 PolarHBondContact O-N 3.02Å; A18-L230 HydrophobicContact CB-CD2 4.15Å; I28-L230 HydrophobicContact CD1-CD1 4.13Å; I28-L230 HydrophobicContact CD1-CD2 3.87Å; I28-L230 HydrophobicContact CG2-CD1 3.83Å; V199-L230 WeakPolarHBondContact CG1-O 3.38Å; L218-L230 HydrophobicContact CD2-CD1 4.27Å; I224-L230 HydrophobicContact CD1-CD2 3.87Å; I224-L230 HydrophobicContact CG2-CD2 3.93Å
231T98.8Very high97.4Very high8 Ų839.2 Ų39.25%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-132.1151.2-178600000112.5N200 D202 P205 N206 C207 E229N200-T231 CarbonylContact O-C 3.59Å; N200-T231 WeakPolarHBondContact O-CA 3.24Å; N200-T231 WeakPolarHBondContact O-CB 3.29Å; D202-T231 HydrophobicContact CB-CG2 4.03Å; D202-T231 WeakPolarHBondContact CB-OG1 3.41Å; P205-T231 VanDerWaalsContact CB-O 3.27Å; P205-T231 WeakPolarHBondContact CB-O 3.21Å; N206-T231 PolarHBondContact OD1-N 2.91Å; N206-T231 PolarHBondContact OD1-O 2.96Å; C207-T231 WeakPolarHBondContact CA-O 3.49Å; C207-T231 VanDerWaalsContact CB-O 3.26Å; C207-T231 WeakPolarHBondContact CB-O 3.48Å; C207-T231 PolarHBondContact N-O 3.49Å; E229-T231 HydrophobicContact CG-CG2 3.92Å
232V98.1Very high97.4Very high4 Ų446 Ų462%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-129.7159.2173.8-64.30000110.7V199 N200 H201 D202 C207 V209 L218 Y234V199-V232 HydrophobicContact CB-CG2 4.48Å; V199-V232 HydrophobicContact CG1-CB 4.34Å; V199-V232 HydrophobicContact CG1-CG1 3.8Å; V199-V232 HydrophobicContact CG1-CG2 3.94Å; N200-V232 PolarHBondContact O-N 3.44Å; H201-V232 VanDerWaalsContact CA-O 3.26Å; H201-V232 WeakPolarHBondContact CA-O 3.44Å; H201-V232 PolarHBondContact ND1-O 2.88Å; H201-V232 VanDerWaalsContact ND1-O 3.11Å; D202-V232 PolarHBondContact N-O 3.41Å; C207-V232 HydrophobicContact CB-CG1 3.94Å; V209-V232 HydrophobicContact CG2-CB 4.42Å; V209-V232 HydrophobicContact CG2-CG1 3.79Å; L218-V232 HydrophobicContact CD1-CG1 3.56Å; V232-Y234 HydrophobicContact CG2-CD1 3.84Å; V232-Y234 HydrophobicContact CG2-CE1 3.52Å
233A96.7Very high97.3Very high45 Ų4547.8 Ų47.837%0.37226%0.256SS..  trans-86.8120.817400000110.4D202 P205D202-A233 WeakPolarHBondContact O-CA 3.29Å; P205-A233 HydrophobicContact CG-CB 3.92Å
234Y95.5Very high97.3Very high56 Ų5642.2 Ų42.222%0.2223%0.231CC..SBendtrans-84.7-21.4175.6-65.8-2.6000112.2V199 H201 V232 L248 Y252 F254V199-Y234 PolarHBondContact O-OH 2.87Å; H201-Y234 HydrophobicContact CB-CD1 4.24Å; H201-Y234 HydrophobicContact CB-CD2 3.8Å; H201-Y234 HydrophobicContact CB-CE1 4.28Å; H201-Y234 HydrophobicContact CB-CE2 3.86Å; H201-Y234 HydrophobicContact CB-CG 3.98Å; H201-Y234 PolarHBondContact CE1-N 2.83Å; H201-Y234 AromaticContact ND1-CG 3.91Å; H201-Y234 PolarHBondContact ND1-N 2.87Å; V232-Y234 HydrophobicContact CG2-CD1 3.84Å; V232-Y234 HydrophobicContact CG2-CE1 3.52Å; Y234-L248 HydrophobicContact CD2-CD2 4.37Å; Y234-Y252 AromaticContact CD2-CD1 3.97Å; Y234-Y252 HydrophobicContact CD2-CD1 3.97Å; Y234-Y252 AromaticContact CD2-CD2 3.9Å; Y234-Y252 HydrophobicContact CD2-CD2 3.9Å; Y234-Y252 AromaticContact CD2-CE1 3.91Å; Y234-Y252 HydrophobicContact CD2-CE1 3.91Å; Y234-Y252 AromaticContact CD2-CE2 3.85Å; Y234-Y252 HydrophobicContact CD2-CE2 3.85Å; Y234-Y252 AromaticContact CD2-CG 3.97Å; Y234-Y252 HydrophobicContact CD2-CG 3.97Å; Y234-Y252 AromaticContact CD2-CZ 3.85Å; Y234-Y252 HydrophobicContact CE2-CD1 4.24Å; Y234-Y252 HydrophobicContact CE2-CE1 4.37Å; Y234-Y252 HydrophobicContact CE2-CG 4.45Å; Y234-Y252 HydrophobicContact CG-CE2 4.21Å; Y234-F254 HydrophobicContact CD2-CE1 4.45Å
235V94.8Very high97.3Very high23 Ų2345 Ų4514%0.13924%0.244CC..SBendtrans-129157.8179.4-61.50000110Y237 R244 L247 L248V235-Y237 PolarHBondContact O-N 2.88Å; V235-R244 HydrophobicContact CG2-CB 4.1Å; V235-R244 HydrophobicContact CG2-CG 4.21Å; V235-L247 HydrophobicContact CG1-CB 3.93Å; V235-L248 HydrophobicContact CG1-CD2 3.79Å; V235-L248 HydrophobicContact CG1-CG 4.05Å; V235-L248 HydrophobicContact CG2-CD1 4.18Å; V235-L248 HydrophobicContact CG2-CD2 4.09Å; V235-L248 HydrophobicContact CG2-CG 4Å
236D92.9Very high97.3Very high78 Ų7848.5 Ų48.542%0.41725%0.248SC..  trans-66.3133.3177.7-165.1-24.8000111.3L238 Y369D236-L238 PolarHBondContact O-N 3.19Å; D236-L238 PolarHBondContact OD1-N 3.04Å; D236-Y369 WeakPolarHBondContact OD1-CE1 3.35Å; D236-Y369 PolarHBondContact OD1-OH 2.97Å; D236-Y369 PolarHBondContact OD2-OH 3.12Å; D236-Y369 VanDerWaalsContact OD2-OH 3.12Å
237Y96.1Very high97.2Very high8 Ų844 Ų443%0.03123%0.228CC..THydrogen-bonded Turntrans-66.9-21.6177.3-175.9-101000113.4C203 W204 V235 N239 H260 T265 H266 K270 L368 Y369C203-Y237 HydrophobicContact CB-CD2 4.19Å; C203-Y237 HydrophobicContact CB-CE2 4.46Å; C203-Y237 WeakPolarHBondContact O-CD2 3.4Å; W204-Y237 HydrophobicContact CE3-CD1 4.43Å; W204-Y237 HydrophobicContact CE3-CD2 4.25Å; W204-Y237 HydrophobicContact CE3-CE1 4.13Å; W204-Y237 AromaticContact CE3-CE2 3.91Å; W204-Y237 HydrophobicContact CE3-CE2 3.91Å; W204-Y237 HydrophobicContact CE3-CG 4.49Å; W204-Y237 AromaticContact CE3-CZ 3.84Å; W204-Y237 HydrophobicContact CZ3-CD1 4.17Å; W204-Y237 AromaticContact CZ3-CE1 3.78Å; W204-Y237 HydrophobicContact CZ3-CE1 3.78Å; W204-Y237 HydrophobicContact CZ3-CE2 4.39Å; W204-Y237 AromaticContact CZ3-CZ 3.89Å; V235-Y237 PolarHBondContact O-N 2.88Å; Y237-N239 PolarHBondContact O-N 3.01Å; Y237-N239 VanDerWaalsContact O-O 3.06Å; Y237-H260 HydrophobicContact CE2-CB 4.15Å; Y237-H260 AromaticContact CE2-ND1 3.49Å; Y237-H260 WeakPolarHBondContact CE2-ND1 3.24Å; Y237-H260 AromaticContact CZ-ND1 3.5Å; Y237-H260 PolarHBondContact OH-ND1 3.37Å; Y237-T265 PolarHBondContact OH-O 2.61Å; Y237-H266 AromaticContact CE1-ND1 3.75Å; Y237-H266 AromaticContact CZ-ND1 3.9Å; Y237-H266 PolarHBondContact OH-ND1 3.02Å; Y237-H266 VanDerWaalsContact OH-ND1 3.15Å; Y237-K270 WeakPolarHBondContact O-CE 3.41Å; Y237-K270 PolarHBondContact O-NZ 3.41Å; Y237-L368 WeakPolarHBondContact CE1-O 3.12Å; Y237-Y369 HydrophobicContact CD1-CD1 4.43Å
238L95.2Very high97.2Very high21 Ų2141.9 Ų41.911%0.1121%0.207CC..THydrogen-bonded Turntrans-60.9-27.1-178.1-78.1176000113.6D236 I332 Y365 L368 Y369D236-L238 PolarHBondContact O-N 3.19Å; D236-L238 PolarHBondContact OD1-N 3.04Å; L238-I332 WeakPolarHBondContact O-CG2 3.35Å; L238-Y365 HydrophobicContact CD1-CD1 4.3Å; L238-Y365 HydrophobicContact CD1-CE1 3.6Å; L238-Y365 HydrophobicContact CD2-CD1 4.16Å; L238-Y365 HydrophobicContact CD2-CE1 4.15Å; L238-L368 HydrophobicContact CD2-CB 4.13Å; L238-L368 HydrophobicContact CD2-CD1 3.56Å; L238-Y369 HydrophobicContact CD1-CE2 3.8Å; L238-Y369 WeakPolarHBondContact CD1-OH 3.38Å; L238-Y369 HydrophobicContact CD2-CD2 4.41Å; L238-Y369 HydrophobicContact CD2-CE2 3.93Å; L238-Y369 HydrophobicContact CG-CE1 4Å; L238-Y369 HydrophobicContact CG-CE2 3.77Å; L238-Y369 VanDerWaalsContact CG-CZ 3.4Å; L238-Y369 VanDerWaalsContact CG-OH 3.22Å; L238-Y369 WeakPolarHBondContact CG-OH 3.39Å
239N95.9Very high97.1Very high49 Ų4943.1 Ų43.126%0.26221%0.211SC..SBendtrans-65.5153.1175.1-68.1-35.2000111.8Y237 E243 R244 K270Y237-N239 PolarHBondContact O-N 3.01Å; Y237-N239 VanDerWaalsContact O-O 3.06Å; N239-E243 HydrophobicContact CB-CB 4.14Å; N239-E243 HydrophobicContact CB-CG 3.97Å; N239-R244 HydrophobicContact CB-CG 3.73Å; N239-R244 PolarHBondContact O-NH1 3.06Å; N239-K270 PolarHBondContact O-NZ 2.89Å
240V97.7Very high96.8Very high31 Ų3145.5 Ų45.519%0.18823%0.228CC..  trans-66.1160.4170.2-66.80000111.3E242 E243 R244 D267 K270 M271V240-E242 VanDerWaalsContact C-N 3.27Å; V240-E242 PolarHBondContact O-N 2.91Å; V240-E243 HydrophobicContact CG2-CB 3.98Å; V240-E243 PolarHBondContact O-N 3.23Å; V240-R244 VanDerWaalsContact C-NH1 3.31Å; V240-R244 WeakPolarHBondContact O-CG 3.48Å; V240-R244 PolarHBondContact O-N 3.47Å; V240-D267 WeakPolarHBondContact CA-OD1 3.47Å; V240-D267 HydrophobicContact CG1-CB 4.45Å; V240-K270 HydrophobicContact CG1-CB 4.21Å; V240-K270 HydrophobicContact CG1-CD 4.45Å; V240-M271 HydrophobicContact CG1-CG 3.51Å; V240-M271 HydrophobicContact CG1-SD 3.97Å
241S98.2Very high96.5Very high2 Ų249.9 Ų49.91%0.01425%0.249CC..Hα-helixtrans-58-40-172.974.50000113.1R244 Q245 D267S241-R244 PolarHBondContact O-N 2.86Å; S241-Q245 WeakPolarHBondContact O-CB 3.38Å; S241-Q245 WeakPolarHBondContact O-CG 3.25Å; S241-Q245 PolarHBondContact O-N 3.43Å; S241-D267 VanDerWaalsContact CB-OD2 3.29Å; S241-D267 WeakPolarHBondContact CB-OD2 3.43Å; S241-D267 PolarHBondContact N-OD1 3.04Å; S241-D267 PolarHBondContact N-OD2 2.72Å; S241-D267 PolarHBondContact OG-OD2 3.45Å
242E98Very high96.3Very high149 Ų14951.8 Ų51.870%0.69626%0.255SS*.Hα-helixtrans-60.8-46.7178.4-176.5175.4-179.900111.7V240 Q245 R246V240-E242 VanDerWaalsContact C-N 3.27Å; V240-E242 PolarHBondContact O-N 2.91Å; E242-Q245 PolarHBondContact O-N 2.88Å; E242-R246 WeakPolarHBondContact O-CB 3.29Å; E242-R246 PolarHBondContact O-N 3.3Å
243E97.8Very high96.2Very high60 Ų6054.3 Ų54.328%0.2827%0.266SS..Hα-helixtrans-68.8-37.7178.3178.458.9-167.100111.7N239 V240 R246 L247N239-E243 HydrophobicContact CB-CB 4.14Å; N239-E243 HydrophobicContact CB-CG 3.97Å; V240-E243 HydrophobicContact CG2-CB 3.98Å; V240-E243 PolarHBondContact O-N 3.23Å; E243-R246 PolarHBondContact O-N 3.5Å; E243-R246 IonicContact OE1-CZ 3.91Å; E243-R246 IonicContact OE1-NE 3.36Å; E243-R246 PolarHBondContact OE1-NE 3.43Å; E243-R246 IonicContact OE1-NH2 3.07Å; E243-R246 PolarHBondContact OE1-NH2 2.94Å; E243-R246 IonicContact OE2-CZ 3.69Å; E243-R246 IonicContact OE2-NE 2.74Å; E243-R246 PolarHBondContact OE2-NE 3.49Å; E243-R246 IonicContact OE2-NH2 2.66Å; E243-L247 HydrophobicContact CG-CD1 4.24Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.39Å; E243-L247 PolarHBondContact O-N 2.91Å
244R98.3Very high96.2Very high0 Ų055.3 Ų55.30%026%0.262CS..Hα-helixtrans-60.8-46.8172.8-65.4-169.1-45.3-88.53.3111C203 V235 N239 V240 S241 L247 L248 H260 C261 D267C203-R244 PolarHBondContact SG-NE 3.26Å; V235-R244 HydrophobicContact CG2-CB 4.1Å; V235-R244 HydrophobicContact CG2-CG 4.21Å; N239-R244 HydrophobicContact CB-CG 3.73Å; N239-R244 PolarHBondContact O-NH1 3.06Å; V240-R244 VanDerWaalsContact C-NH1 3.31Å; V240-R244 WeakPolarHBondContact O-CG 3.48Å; V240-R244 PolarHBondContact O-N 3.47Å; S241-R244 PolarHBondContact O-N 2.86Å; R244-L247 PolarHBondContact O-N 3.38Å; R244-L248 WeakPolarHBondContact O-CB 3.33Å; R244-L248 WeakPolarHBondContact O-CD1 3.49Å; R244-L248 WeakPolarHBondContact O-CG 3.41Å; R244-L248 PolarHBondContact O-N 3.48Å; R244-H260 PolarHBondContact NH2-O 3.46Å; R244-C261 PolarHBondContact NH2-SG 2.83Å; R244-C261 VanDerWaalsContact NH2-SG 3.39Å; R244-D267 IonicContact NH1-OD1 3.81Å
245Q98.4Very high96.2Very high58 Ų5857 Ų5727%0.27128%0.275SS..Hα-helixtrans-62.7-40.9176.6-75.5174.5-37.600111.8S241 E242 L248 K249 C256 C261S241-Q245 WeakPolarHBondContact O-CB 3.38Å; S241-Q245 WeakPolarHBondContact O-CG 3.25Å; S241-Q245 PolarHBondContact O-N 3.43Å; E242-Q245 PolarHBondContact O-N 2.88Å; Q245-L248 PolarHBondContact O-N 3.47Å; Q245-K249 VanDerWaalsContact O-CB 3.23Å; Q245-K249 WeakPolarHBondContact O-CB 3.46Å; Q245-K249 PolarHBondContact O-N 3.43Å; Q245-C256 HydrophobicContact CG-CB 4.27Å; Q245-C256 PolarHBondContact NE2-O 3.19Å; Q245-C261 HydrophobicContact CG-CB 4.45Å
246R98.1Very high96.4Very high120 Ų12056.1 Ų56.145%0.45327%0.27SS..Hα-helixtrans-59.4-50.2175.3-167.3-165.468.874-0.2111.3E242 E243 L248 K249 T250E242-R246 WeakPolarHBondContact O-CB 3.29Å; E242-R246 PolarHBondContact O-N 3.3Å; E243-R246 PolarHBondContact O-N 3.5Å; E243-R246 IonicContact OE1-CZ 3.91Å; E243-R246 IonicContact OE1-NE 3.36Å; E243-R246 PolarHBondContact OE1-NE 3.43Å; E243-R246 IonicContact OE1-NH2 3.07Å; E243-R246 PolarHBondContact OE1-NH2 2.94Å; E243-R246 IonicContact OE2-CZ 3.69Å; E243-R246 IonicContact OE2-NE 2.74Å; E243-R246 PolarHBondContact OE2-NE 3.49Å; E243-R246 IonicContact OE2-NH2 2.66Å; R246-L248 VanDerWaalsContact C-N 3.35Å; R246-L248 PolarHBondContact O-N 3.39Å; R246-K249 PolarHBondContact O-N 2.75Å; R246-T250 WeakPolarHBondContact O-CB 3.47Å; R246-T250 PolarHBondContact O-N 2.96Å; R246-T250 PolarHBondContact O-OG1 2.94Å; R246-T250 VanDerWaalsContact O-OG1 3.04Å
247L96.9Very high96.6Very high52 Ų5257.3 Ų57.327%0.27228%0.28SS..Hα-helixtrans-60.5-43.4178-69.4169.9000111.9V235 E243 R244 T250 Q251V235-L247 HydrophobicContact CG1-CB 3.93Å; E243-L247 HydrophobicContact CG-CD1 4.24Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.39Å; E243-L247 PolarHBondContact O-N 2.91Å; R244-L247 PolarHBondContact O-N 3.38Å; L247-T250 PolarHBondContact O-N 3.41Å; L247-Q251 WeakPolarHBondContact O-CB 3.33Å; L247-Q251 PolarHBondContact O-N 3.25Å
248L97.1Very high96.7Very high0 Ų057.6 Ų57.60%028%0.283CS..Hα-helixtrans-66.2-40.8178.7-69.4165.5000112.1H201 Y234 V235 R244 Q245 R246 Y252 F253 F254 C256H201-L248 VanDerWaalsContact CD2-CD1 3.44Å; H201-L248 WeakPolarHBondContact CD2-CD1 3.21Å; H201-L248 VanDerWaalsContact NE2-CD1 3.33Å; H201-L248 WeakPolarHBondContact NE2-CD1 3.35Å; Y234-L248 HydrophobicContact CD2-CD2 4.37Å; V235-L248 HydrophobicContact CG1-CD2 3.79Å; V235-L248 HydrophobicContact CG1-CG 4.05Å; V235-L248 HydrophobicContact CG2-CD1 4.18Å; V235-L248 HydrophobicContact CG2-CD2 4.09Å; V235-L248 HydrophobicContact CG2-CG 4Å; R244-L248 WeakPolarHBondContact O-CB 3.33Å; R244-L248 WeakPolarHBondContact O-CD1 3.49Å; R244-L248 WeakPolarHBondContact O-CG 3.41Å; R244-L248 PolarHBondContact O-N 3.48Å; Q245-L248 PolarHBondContact O-N 3.47Å; R246-L248 VanDerWaalsContact C-N 3.35Å; R246-L248 PolarHBondContact O-N 3.39Å; L248-Y252 HydrophobicContact CD2-CD2 3.88Å; L248-Y252 HydrophobicContact CD2-CE2 4.24Å; L248-Y252 CarbonylContact O-C 3.49Å; L248-Y252 VanDerWaalsContact O-CA 3.3Å; L248-Y252 WeakPolarHBondContact O-CA 3.3Å; L248-Y252 WeakPolarHBondContact O-CB 3.22Å; L248-Y252 PolarHBondContact O-N 2.9Å; L248-F253 PolarHBondContact O-N 3.4Å; L248-F254 HydrophobicContact CB-CE1 4.24Å; L248-F254 HydrophobicContact CB-CZ 4.09Å; L248-F254 HydrophobicContact CD1-CE2 4.38Å; L248-F254 HydrophobicContact CD1-CZ 4.1Å; L248-F254 HydrophobicContact CD2-CE1 4.05Å; L248-F254 HydrophobicContact CD2-CZ 3.77Å; L248-F254 HydrophobicContact CG-CZ 4.2Å; L248-C256 HydrophobicContact CD1-CB 3.57Å
249K96.4Very high96.8Very high104 Ų10463 Ų6345%0.45231%0.308SS..Hα-helixtrans-67-41.3177.4-170.9177-159.71260112Q245 R246 F253 F254 D255Q245-K249 VanDerWaalsContact O-CB 3.23Å; Q245-K249 WeakPolarHBondContact O-CB 3.46Å; Q245-K249 PolarHBondContact O-N 3.43Å; R246-K249 PolarHBondContact O-N 2.75Å; K249-F253 WeakPolarHBondContact O-CA 3.3Å; K249-F253 PolarHBondContact O-N 3.32Å; K249-F253 VanDerWaalsContact O-N 3.16Å; K249-F254 PolarHBondContact N-O 2.95Å; K249-D255 VanDerWaalsContact NZ-CG 3.29Å; K249-D255 IonicContact NZ-OD1 2.64Å; K249-D255 PolarHBondContact NZ-OD1 3.43Å; K249-D255 IonicContact NZ-OD2 3.17Å; K249-D255 PolarHBondContact NZ-OD2 3.19Å
250T93.4Very high96.9Very high88 Ų8861.6 Ų61.654%0.5430%0.299SS..Hα-helixtrans-68.2-40.7178.9-62.60000112.2R246 L247R246-T250 WeakPolarHBondContact O-CB 3.47Å; R246-T250 PolarHBondContact O-N 2.96Å; R246-T250 PolarHBondContact O-OG1 2.94Å; R246-T250 VanDerWaalsContact O-OG1 3.04Å; L247-T250 PolarHBondContact O-N 3.41Å
251Q91.7Very high97Very high92 Ų9260.4 Ų60.443%0.4329%0.292SS..Hα-helixtrans-93-34.8-174.5-175.965.334.400113.9N173 L247N173-Q251 PolarHBondContact O-NE2 3.48Å; L247-Q251 WeakPolarHBondContact O-CB 3.33Å; L247-Q251 PolarHBondContact O-N 3.25Å
252Y94.8Very high97Very high48 Ų4864.7 Ų64.719%0.18832%0.319CS..Hα-helixtrans-127.28-169.1-52.5-79.5000113.1C174 Y234 L248 F254C174-Y252 WeakPolarHBondContact O-CD1 3.33Å; C174-Y252 WeakPolarHBondContact O-CE1 3.37Å; Y234-Y252 AromaticContact CD2-CD1 3.97Å; Y234-Y252 HydrophobicContact CD2-CD1 3.97Å; Y234-Y252 AromaticContact CD2-CD2 3.9Å; Y234-Y252 HydrophobicContact CD2-CD2 3.9Å; Y234-Y252 AromaticContact CD2-CE1 3.91Å; Y234-Y252 HydrophobicContact CD2-CE1 3.91Å; Y234-Y252 AromaticContact CD2-CE2 3.85Å; Y234-Y252 HydrophobicContact CD2-CE2 3.85Å; Y234-Y252 AromaticContact CD2-CG 3.97Å; Y234-Y252 HydrophobicContact CD2-CG 3.97Å; Y234-Y252 AromaticContact CD2-CZ 3.85Å; Y234-Y252 HydrophobicContact CE2-CD1 4.24Å; Y234-Y252 HydrophobicContact CE2-CE1 4.37Å; Y234-Y252 HydrophobicContact CE2-CG 4.45Å; Y234-Y252 HydrophobicContact CG-CE2 4.21Å; L248-Y252 HydrophobicContact CD2-CD2 3.88Å; L248-Y252 HydrophobicContact CD2-CE2 4.24Å; L248-Y252 CarbonylContact O-C 3.49Å; L248-Y252 VanDerWaalsContact O-CA 3.3Å; L248-Y252 WeakPolarHBondContact O-CA 3.3Å; L248-Y252 WeakPolarHBondContact O-CB 3.22Å; L248-Y252 PolarHBondContact O-N 2.9Å; Y252-F254 HydrophobicContact CG-CE1 4.36Å; Y252-F254 WeakPolarHBondContact O-CD1 3.35Å; Y252-F254 PolarHBondContact O-N 3.38Å; Y252-F254 VanDerWaalsContact O-N 3.08Å
253F95.8Very high97Very high56 Ų5662.5 Ų62.525%0.24631%0.311CS..SBendtrans60.223.7168-50.1-86.1000116.2H130 D133 M134 L248 K249H130-F253 HydrophobicContact CB-CB 4.34Å; H130-F253 HydrophobicContact CB-CD2 3.21Å; H130-F253 HydrophobicContact CB-CE2 3.53Å; H130-F253 HydrophobicContact CB-CG 3.79Å; H130-F253 HydrophobicContact CB-CZ 4.33Å; H130-F253 AromaticContact CD2-CD2 3.62Å; H130-F253 AromaticContact CG-CD2 3.41Å; H130-F253 VanDerWaalsContact CG-CD2 3.41Å; H130-F253 AromaticContact CG-CG 3.86Å; D133-F253 HydrophobicContact CB-CB 4.04Å; D133-F253 HydrophobicContact CB-CD1 3.52Å; D133-F253 HydrophobicContact CB-CE1 4.17Å; D133-F253 HydrophobicContact CB-CG 3.86Å; D133-F253 WeakPolarHBondContact O-CE1 3.31Å; M134-F253 HydrophobicContact CG-CE1 4.39Å; M134-F253 HydrophobicContact CG-CZ 3.98Å; L248-F253 PolarHBondContact O-N 3.4Å; K249-F253 WeakPolarHBondContact O-CA 3.3Å; K249-F253 PolarHBondContact O-N 3.32Å; K249-F253 VanDerWaalsContact O-N 3.16Å
254F96.5Very high97Very high66 Ų6665.9 Ų65.929%0.28933%0.325SS..  trans-132.2153.6176.779.5-87000113.6H201 Y234 L248 K249 Y252 C256H201-F254 HydrophobicContact CB-CE1 4.41Å; H201-F254 HydrophobicContact CB-CE2 4.39Å; H201-F254 HydrophobicContact CB-CZ 3.63Å; H201-F254 AromaticContact CD2-CZ 3.71Å; H201-F254 AromaticContact CG-CZ 3.91Å; Y234-F254 HydrophobicContact CD2-CE1 4.45Å; L248-F254 HydrophobicContact CB-CE1 4.24Å; L248-F254 HydrophobicContact CB-CZ 4.09Å; L248-F254 HydrophobicContact CD1-CE2 4.38Å; L248-F254 HydrophobicContact CD1-CZ 4.1Å; L248-F254 HydrophobicContact CD2-CE1 4.05Å; L248-F254 HydrophobicContact CD2-CZ 3.77Å; L248-F254 HydrophobicContact CG-CZ 4.2Å; K249-F254 PolarHBondContact N-O 2.95Å; Y252-F254 HydrophobicContact CG-CE1 4.36Å; Y252-F254 WeakPolarHBondContact O-CD1 3.35Å; Y252-F254 PolarHBondContact O-N 3.38Å; Y252-F254 VanDerWaalsContact O-N 3.08Å; F254-C256 HydrophobicContact CD2-CB 4.48Å; F254-C256 HydrophobicContact CE2-CB 3.82Å
255D96.8Very high96.9Very high92 Ų9267.6 Ų67.649%0.49234%0.336SS..  trans-93.6115.4171.8-67.2-61000109.8K249 T257K249-D255 VanDerWaalsContact NZ-CG 3.29Å; K249-D255 IonicContact NZ-OD1 2.64Å; K249-D255 PolarHBondContact NZ-OD1 3.43Å; K249-D255 IonicContact NZ-OD2 3.17Å; K249-D255 PolarHBondContact NZ-OD2 3.19Å; D255-T257 PolarHBondContact O-N 3.41Å
256C98.2Very high96.9Very high5 Ų567.2 Ų67.23%0.03433%0.334CS..  trans-70.6127-178.7-177.30000112.2Q245 L248 F254Q245-C256 HydrophobicContact CG-CB 4.27Å; Q245-C256 PolarHBondContact NE2-O 3.19Å; L248-C256 HydrophobicContact CD1-CB 3.57Å; F254-C256 HydrophobicContact CD2-CB 4.48Å; F254-C256 HydrophobicContact CE2-CB 3.82Å
257T97.6Very high96.9Very high103 Ų10362.5 Ų62.563%0.63232%0.318SS*.  trans-113.912.9-177.8550000113.7D255 T262D255-T257 PolarHBondContact O-N 3.41Å; T257-T262 PolarHBondContact O-OG1 3.37Å
258C98.1Very high96.8Very high13 Ų1365.7 Ų65.79%0.08834%0.335CS..SBendtrans-56.3160.7176.173.20000111.9D202 C203 H260 C261 T262D202-C258 VanDerWaalsContact CG-CB 3.49Å; D202-C258 VanDerWaalsContact OD1-CB 3.28Å; D202-C258 WeakPolarHBondContact OD1-CB 3.39Å; D202-C258 VanDerWaalsContact OD2-CB 3.29Å; D202-C258 WeakPolarHBondContact OD2-CB 3.4Å; C203-C258 VanDerWaalsContact CB-SG 3.59Å; C258-H260 PolarHBondContact O-N 2.79Å; C258-H260 VanDerWaalsContact O-N 3.14Å; C258-C261 PolarHBondContact O-N 3.27Å; C258-C261 PolarHBondContact SG-N 3.43Å; C258-T262 PolarHBondContact O-N 2.84Å; C258-T262 PolarHBondContact O-OG1 3.37Å
259E98Very high96.7Very high135 Ų13568.2 Ų68.263%0.63135%0.348SS*.Hα-helixtrans-52.6-40.7-178.6-172.3-179.5166.400112.1C261 T262 N263E259-C261 PolarHBondContact O-N 2.78Å; E259-T262 PolarHBondContact O-N 3.23Å; E259-N263 WeakPolarHBondContact CG-ND2 3.42Å; E259-N263 VanDerWaalsContact O-CB 3.3Å; E259-N263 WeakPolarHBondContact O-CB 3.24Å; E259-N263 PolarHBondContact O-N 3.16Å
260H98Very high96.8Very high20 Ų2063.3 Ų63.39%0.09333%0.327CS..Hα-helixtrans-70-28.4-178.8-75.4-107000114.2C203 W204 Y237 R244 C258 K264 T265C203-H260 HydrophobicContact CB-CB 4.33Å; W204-H260 WeakPolarHBondContact CB-CD2 3.4Å; W204-H260 VanDerWaalsContact CB-NE2 3.28Å; W204-H260 WeakPolarHBondContact CB-NE2 3.43Å; W204-H260 AromaticContact CD1-NE2 3.78Å; W204-H260 AromaticContact CD2-CE1 3.49Å; W204-H260 VanDerWaalsContact CD2-CE1 3.49Å; W204-H260 AromaticContact CD2-NE2 3.54Å; W204-H260 AromaticContact CE3-CE1 3.48Å; W204-H260 VanDerWaalsContact CE3-CE1 3.48Å; W204-H260 AromaticContact CE3-NE2 3.99Å; W204-H260 AromaticContact CG-CD2 3.83Å; W204-H260 AromaticContact CG-CE1 3.7Å; W204-H260 AromaticContact CG-NE2 3.24Å; Y237-H260 HydrophobicContact CE2-CB 4.15Å; Y237-H260 AromaticContact CE2-ND1 3.49Å; Y237-H260 WeakPolarHBondContact CE2-ND1 3.24Å; Y237-H260 AromaticContact CZ-ND1 3.5Å; Y237-H260 PolarHBondContact OH-ND1 3.37Å; R244-H260 PolarHBondContact NH2-O 3.46Å; C258-H260 PolarHBondContact O-N 2.79Å; C258-H260 VanDerWaalsContact O-N 3.14Å; H260-K264 WeakPolarHBondContact O-CA 3.35Å; H260-K264 PolarHBondContact O-N 2.93Å; H260-T265 PolarHBondContact O-N 3.5Å
261C98.3Very high97Very high5 Ų562.1 Ų62.13%0.03432%0.316CS..Hα-helixtrans-82.9-42.7173.5-73.40000111.2C203 R244 Q245 C258 E259 K264C203-C261 PolarHBondContact SG-SG 2.96Å; R244-C261 PolarHBondContact NH2-SG 2.83Å; R244-C261 VanDerWaalsContact NH2-SG 3.39Å; Q245-C261 HydrophobicContact CG-CB 4.45Å; C258-C261 PolarHBondContact O-N 3.27Å; C258-C261 PolarHBondContact SG-N 3.43Å; E259-C261 PolarHBondContact O-N 2.78Å; C261-K264 PolarHBondContact O-N 3.17Å
262T97.9Very high97.2Very high93 Ų9358.5 Ų58.557%0.57130%0.303SS*.Hα-helixtrans-62.9-45.1-179.9-63.20000111.9T257 C258 E259T257-T262 PolarHBondContact O-OG1 3.37Å; C258-T262 PolarHBondContact O-N 2.84Å; C258-T262 PolarHBondContact O-OG1 3.37Å; E259-T262 PolarHBondContact O-N 3.23Å
263N98.1Very high97.3Very high102 Ų10257.1 Ų57.155%0.54530%0.304SS..THydrogen-bonded Turntrans-89.9-0.8-178.9-63.9-23.6000113.3E259 T265E259-N263 WeakPolarHBondContact CG-ND2 3.42Å; E259-N263 VanDerWaalsContact O-CB 3.3Å; E259-N263 WeakPolarHBondContact O-CB 3.24Å; E259-N263 PolarHBondContact O-N 3.16Å; N263-T265 PolarHBondContact O-N 3.33Å
264K97.9Very high97.2Very high132 Ų13258.6 Ų58.657%0.57431%0.308SS*.THydrogen-bonded Turntrans5138.6-172-54.1-171.2177.6-169.90112.7H260 C261 H266 D267H260-K264 WeakPolarHBondContact O-CA 3.35Å; H260-K264 PolarHBondContact O-N 2.93Å; C261-K264 PolarHBondContact O-N 3.17Å; K264-H266 PolarHBondContact O-N 3.44Å; K264-D267 HydrophobicContact CB-CB 4.24Å; K264-D267 WeakPolarHBondContact O-CB 3.48Å; K264-D267 PolarHBondContact O-N 2.97Å
265T97.4Very high97Very high36 Ų3660.8 Ų60.822%0.22132%0.319CS..THydrogen-bonded Turntrans-57.3127.6-174.5-56.40000110.6Y237 H260 N263 D267Y237-T265 PolarHBondContact OH-O 2.61Å; H260-T265 PolarHBondContact O-N 3.5Å; N263-T265 PolarHBondContact O-N 3.33Å; T265-D267 VanDerWaalsContact C-N 3.26Å; T265-D267 PolarHBondContact O-N 2.92Å
266H97.2Very high96.7Very high49 Ų4960.1 Ų60.123%0.22732%0.318CS..THydrogen-bonded Turntrans70.4-1-177.1-55.5170.1000116.6Y237 K264 D268 I269 K270 L368Y237-H266 AromaticContact CE1-ND1 3.75Å; Y237-H266 AromaticContact CZ-ND1 3.9Å; Y237-H266 PolarHBondContact OH-ND1 3.02Å; Y237-H266 VanDerWaalsContact OH-ND1 3.15Å; K264-H266 PolarHBondContact O-N 3.44Å; H266-D268 PolarHBondContact O-N 2.93Å; H266-I269 HydrophobicContact CB-CD1 3.97Å; H266-I269 HydrophobicContact CB-CG1 3.82Å; H266-I269 VanDerWaalsContact O-CG1 3.24Å; H266-I269 WeakPolarHBondContact O-CG1 3.3Å; H266-I269 PolarHBondContact O-N 3.01Å; H266-K270 HydrophobicContact CB-CD 4.39Å; H266-K270 VanDerWaalsContact O-CB 3.32Å; H266-K270 WeakPolarHBondContact O-CB 3.36Å; H266-K270 WeakPolarHBondContact O-CD 3.3Å; H266-K270 WeakPolarHBondContact O-CG 3.33Å; H266-K270 PolarHBondContact O-N 3.48Å; H266-L368 HydrophobicContact CB-CD2 4.43Å; H266-L368 PolarHBondContact ND1-O 3.48Å
267D97.9Very high96.1Very high22 Ų2269.2 Ų69.212%0.11836%0.36CS..Hα-helixtrans-63.8-34-179.6-763.8000111.9V240 S241 R244 K264 T265 K270 M271V240-D267 WeakPolarHBondContact CA-OD1 3.47Å; V240-D267 HydrophobicContact CG1-CB 4.45Å; S241-D267 VanDerWaalsContact CB-OD2 3.29Å; S241-D267 WeakPolarHBondContact CB-OD2 3.43Å; S241-D267 PolarHBondContact N-OD1 3.04Å; S241-D267 PolarHBondContact N-OD2 2.72Å; S241-D267 PolarHBondContact OG-OD2 3.45Å; R244-D267 IonicContact NH1-OD1 3.81Å; K264-D267 HydrophobicContact CB-CB 4.24Å; K264-D267 WeakPolarHBondContact O-CB 3.48Å; K264-D267 PolarHBondContact O-N 2.97Å; T265-D267 VanDerWaalsContact C-N 3.26Å; T265-D267 PolarHBondContact O-N 2.92Å; D267-K270 PolarHBondContact O-N 3.02Å; D267-M271 PolarHBondContact O-N 3.35Å; D267-M271 VanDerWaalsContact O-N 3.12Å
268D95.6Very high95.6Very high118 Ų11867 Ų6763%0.63136%0.357SS*.Hα-helixtrans-60.9-43.4174.665.1-45.4000112.8H266 G272H266-D268 PolarHBondContact O-N 2.93Å; D268-G272 VanDerWaalsContact O-CA 3.23Å; D268-G272 WeakPolarHBondContact O-CA 3.46Å; D268-G272 PolarHBondContact O-N 3.2Å
269I95.9Very high95.2Very high54 Ų5471.3 Ų71.328%0.27738%0.383SS..Hα-helixtrans-82.7-24.5178.463.9171.8000112.7H266 M271 T330 L368H266-I269 HydrophobicContact CB-CD1 3.97Å; H266-I269 HydrophobicContact CB-CG1 3.82Å; H266-I269 VanDerWaalsContact O-CG1 3.24Å; H266-I269 WeakPolarHBondContact O-CG1 3.3Å; H266-I269 PolarHBondContact O-N 3.01Å; I269-M271 VanDerWaalsContact C-N 3.32Å; I269-T330 CarbonylContact O-C 3.45Å; I269-T330 VanDerWaalsContact O-CB 3.26Å; I269-T330 WeakPolarHBondContact O-CB 3.45Å; I269-T330 PolarHBondContact O-OG1 2.95Å; I269-L368 HydrophobicContact CD1-CD2 3.67Å; I269-L368 HydrophobicContact CG1-CD2 3.84Å
270K97.8Very high94.9Very high0 Ų071.3 Ų71.30%038%0.381CS..Hα-helixtrans-70.6-27.7174.7-78169.7177.8176.50112.8Y237 N239 V240 H266 D267 H331 I332 L368Y237-K270 WeakPolarHBondContact O-CE 3.41Å; Y237-K270 PolarHBondContact O-NZ 3.41Å; N239-K270 PolarHBondContact O-NZ 2.89Å; V240-K270 HydrophobicContact CG1-CB 4.21Å; V240-K270 HydrophobicContact CG1-CD 4.45Å; H266-K270 HydrophobicContact CB-CD 4.39Å; H266-K270 VanDerWaalsContact O-CB 3.32Å; H266-K270 WeakPolarHBondContact O-CB 3.36Å; H266-K270 WeakPolarHBondContact O-CD 3.3Å; H266-K270 WeakPolarHBondContact O-CG 3.33Å; H266-K270 PolarHBondContact O-N 3.48Å; D267-K270 PolarHBondContact O-N 3.02Å; K270-H331 CarbonylContact O-C 3.6Å; K270-H331 VanDerWaalsContact O-CA 3.27Å; K270-H331 WeakPolarHBondContact O-CA 3.41Å; K270-I332 HydrophobicContact CB-CG2 3.67Å; K270-I332 HydrophobicContact CD-CG2 4.41Å; K270-I332 HydrophobicContact CG-CG2 3.73Å; K270-I332 PolarHBondContact O-N 3.03Å; K270-L368 HydrophobicContact CG-CD1 4.36Å; K270-L368 HydrophobicContact CG-CD2 3.85Å
271M97.3Very high94.7Very high63 Ų6371.6 Ų71.631%0.3139%0.385SS..SBendtrans-119.513.7-178.5-60-57.3-59.200112.8V240 D267 I269 V286 T290 I332 Y333V240-M271 HydrophobicContact CG1-CG 3.51Å; V240-M271 HydrophobicContact CG1-SD 3.97Å; D267-M271 PolarHBondContact O-N 3.35Å; D267-M271 VanDerWaalsContact O-N 3.12Å; I269-M271 VanDerWaalsContact C-N 3.32Å; M271-V286 WeakPolarHBondContact O-CG1 3.45Å; M271-T290 HydrophobicContact CE-CG2 3.76Å; M271-I332 HydrophobicContact SD-CD1 3.82Å; M271-I332 HydrophobicContact SD-CG1 3.89Å; M271-Y333 HydrophobicContact CE-CD2 4.3Å; M271-Y333 HydrophobicContact CE-CE2 3.91Å; M271-Y333 HydrophobicContact SD-CD2 4.42Å; M271-Y333 HydrophobicContact SD-CE2 4.1Å
272G95.9Very high94.6Very high16 Ų1674.3 Ų74.317%0.16540%0.404CS..PPolyproline II helixtrans-82154-172.700000115.2D268 A328 H331D268-G272 VanDerWaalsContact O-CA 3.23Å; D268-G272 WeakPolarHBondContact O-CA 3.46Å; D268-G272 PolarHBondContact O-N 3.2Å; G272-A328 WeakPolarHBondContact O-CB 3.41Å; G272-A328 PolarHBondContact O-N 3.5Å; G272-H331 PolarHBondContact O-CD2 2.76Å
273G96.6Very high94.5Very high20 Ų2076.9 Ų76.921%0.20641%0.414CS..BIsolated β-bridgetrans-80.1157169.400000113.5E275 I326G273-E275 PolarHBondContact O-N 2.76Å; G273-I326 CarbonylContact C-O 3.57Å; G273-I326 VanDerWaalsContact CA-O 3.24Å; G273-I326 WeakPolarHBondContact CA-O 3.41Å
274R94.9Very high94.5Very high87 Ų8777.1 Ų77.133%0.32841%0.412SS..PPolyproline II helixtrans-69.9117.2179.8-173.3175.1179.8165.90.9110.9V276 P281 E324 I326R274-V276 HydrophobicContact CG-CG2 4.09Å; R274-P281 WeakPolarHBondContact O-CD 3.48Å; R274-E324 VanDerWaalsContact CD-O 3.32Å; R274-E324 WeakPolarHBondContact CD-O 3.5Å; R274-E324 PolarHBondContact NH1-O 3.4Å; R274-I326 PolarHBondContact N-O 3.31Å
275E92.2Very high94.4Very high111 Ų11175.2 Ų75.252%0.51941%0.405SS..PPolyproline II helixtrans-90.8123175-171.4171-176.200110.9G273 V279 K280G273-E275 PolarHBondContact O-N 2.76Å; E275-V279 WeakPolarHBondContact CA-O 3.43Å; E275-K280 HydrophobicContact CB-CG 3.99Å; E275-K280 HydrophobicContact CG-CG 3.87Å; E275-K280 WeakPolarHBondContact OE2-CE 3.3Å; E275-K280 IonicContact OE2-NZ 3.28Å; E275-K280 PolarHBondContact OE2-NZ 2.95Å
276V89.1Confident94.5Very high78 Ų7874.1 Ų74.147%0.47340%0.398SS..BIsolated β-bridgetrans-126.1119.5175.9-177.10000108.5R274 G278 V279R274-V276 HydrophobicContact CG-CG2 4.09Å; V276-G278 PolarHBondContact O-N 3.26Å; V276-G278 VanDerWaalsContact O-N 3.11Å; V276-V279 PolarHBondContact N-O 3.22Å; V276-V279 WeakPolarHBondContact O-CB 3.44Å; V276-V279 PolarHBondContact O-N 2.94Å
277E87Confident94.5Very high196 Ų19677.2 Ų77.292%0.91641%0.411SS*.THydrogen-bonded Turntrans52.234-179.6-59.8-176.6171.700113.8V279E277-V279 VanDerWaalsContact C-N 3.3Å; E277-V279 PolarHBondContact O-N 3.36Å
278G86Confident94.5Very high56 Ų5682 Ų8258%0.57743%0.432SS*.THydrogen-bonded Turntrans821.4-178.600000114.9V276V276-G278 PolarHBondContact O-N 3.26Å; V276-G278 VanDerWaalsContact O-N 3.11Å
279V89.3Confident94.6Very high105 Ų10576.6 Ų76.664%0.63640%0.404SS*.BIsolated β-bridgetrans-95.2124.4175.8-174.90000109.4E275 V276 E277E275-V279 WeakPolarHBondContact CA-O 3.43Å; V276-V279 PolarHBondContact N-O 3.22Å; V276-V279 WeakPolarHBondContact O-CB 3.44Å; V276-V279 PolarHBondContact O-N 2.94Å; E277-V279 VanDerWaalsContact C-N 3.3Å; E277-V279 PolarHBondContact O-N 3.36Å
280K92.1Very high94.7Very high135 Ų13574.7 Ų74.759%0.58740%0.395SS*.  trans-110.4142.9175.8-65.5-173.8177.9-174.80110.9E275E275-K280 HydrophobicContact CB-CG 3.99Å; E275-K280 HydrophobicContact CG-CG 3.87Å; E275-K280 WeakPolarHBondContact OE2-CE 3.3Å; E275-K280 IonicContact OE2-NZ 3.28Å; E275-K280 PolarHBondContact OE2-NZ 2.95Å
281P95.1Very high94.7Very high26 Ų2678.7 Ų78.717%0.16942%0.417CS..  trans-56.4154164.2-23.533.5000111R274 Q285 V286 I326R274-P281 WeakPolarHBondContact O-CD 3.48Å; P281-Q285 HydrophobicContact CB-CB 4.1Å; P281-V286 HydrophobicContact CB-CG2 4.09Å; P281-I326 HydrophobicContact CB-CG2 4.04Å; P281-I326 HydrophobicContact CG-CG2 4.18Å; P281-I326 WeakPolarHBondContact CG-O 3.44Å
282S96.1Very high94.7Very high61 Ų6178.2 Ų78.243%0.42741%0.412SS..  trans-68.2155.517370.10000111.2E284 Q285 V286S282-E284 PolarHBondContact O-N 3.25Å; S282-Q285 WeakPolarHBondContact O-CB 3.28Å; S282-Q285 PolarHBondContact O-N 3.41Å; S282-Q285 WeakPolarHBondContact OG-CG 3.5Å; S282-Q285 PolarHBondContact OG-N 2.85Å; S282-Q285 PolarHBondContact OG-OE1 2.93Å; S282-V286 PolarHBondContact O-N 3.43Å
283D95.4Very high94.8Very high147 Ų14777.5 Ų77.579%0.78640%0.404SS*.Hα-helixtrans-55.7-34.7176.7-63.6-17.7000112V286 K287D283-V286 PolarHBondContact O-N 3.38Å; D283-K287 VanDerWaalsContact O-CB 3.3Å; D283-K287 WeakPolarHBondContact O-CB 3.4Å; D283-K287 PolarHBondContact O-N 3.24Å
284E97Very high94.7Very high107 Ų10782.1 Ų82.150%0.542%0.419SS..Hα-helixtrans-66.1-41.9175.6-165.565.8-170.100111.9S282 V286 K287 E288S282-E284 PolarHBondContact O-N 3.25Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.17Å; E284-K287 PolarHBondContact O-N 2.99Å; E284-E288 WeakPolarHBondContact O-CB 3.33Å; E284-E288 WeakPolarHBondContact O-CG 3.39Å; E284-E288 PolarHBondContact O-N 3.19Å
285Q97.4Very high94.7Very high92 Ų9282 Ų8243%0.4343%0.425SS..Hα-helixtrans-63.6-41.5175.9-71.2175-59.300111.6P281 S282 K287 A289 I326P281-Q285 HydrophobicContact CB-CB 4.1Å; S282-Q285 WeakPolarHBondContact O-CB 3.28Å; S282-Q285 PolarHBondContact O-N 3.41Å; S282-Q285 WeakPolarHBondContact OG-CG 3.5Å; S282-Q285 PolarHBondContact OG-N 2.85Å; S282-Q285 PolarHBondContact OG-OE1 2.93Å; Q285-K287 VanDerWaalsContact C-N 3.35Å; Q285-A289 WeakPolarHBondContact O-CB 3.19Å; Q285-A289 PolarHBondContact O-N 3.29Å; Q285-I326 HydrophobicContact CB-CG2 4.17Å
286V97.8Very high95Very high13 Ų1376.9 Ų76.98%0.07940%0.401CS..Hα-helixtrans-64-43.4177.1178.30000110.5M271 P281 S282 D283 E284 A289 T290 I326 L327M271-V286 WeakPolarHBondContact O-CG1 3.45Å; P281-V286 HydrophobicContact CB-CG2 4.09Å; S282-V286 PolarHBondContact O-N 3.43Å; D283-V286 PolarHBondContact O-N 3.38Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.17Å; V286-A289 PolarHBondContact O-N 2.9Å; V286-T290 WeakPolarHBondContact O-CB 3.38Å; V286-T290 PolarHBondContact O-N 3.37Å; V286-T290 PolarHBondContact O-OG1 3.03Å; V286-I326 HydrophobicContact CG2-CG2 4.44Å; V286-L327 HydrophobicContact CG1-CD2 3.97Å
287K97.4Very high95.3Very high115 Ų11574.4 Ų74.450%0.538%0.384SS..Hα-helixtrans-62.7-50.4177.1-174.4-175.3173.4-164.80112D283 E284 Q285 A289 T290 D291D283-K287 VanDerWaalsContact O-CB 3.3Å; D283-K287 WeakPolarHBondContact O-CB 3.4Å; D283-K287 PolarHBondContact O-N 3.24Å; E284-K287 PolarHBondContact O-N 2.99Å; Q285-K287 VanDerWaalsContact C-N 3.35Å; K287-A289 VanDerWaalsContact C-N 3.29Å; K287-A289 PolarHBondContact O-N 2.76Å; K287-T290 WeakPolarHBondContact O-CA 3.14Å; K287-T290 WeakPolarHBondContact O-CB 3.3Å; K287-T290 PolarHBondContact O-N 3.31Å; K287-D291 PolarHBondContact O-N 3.02Å
288E98.1Very high95.6Very high121 Ų12169.8 Ų69.857%0.56536%0.363SS*.Hα-helixtrans-58.7-40.3177.3-74.1-179.9179.700112.4E284 Y292E284-E288 WeakPolarHBondContact O-CB 3.33Å; E284-E288 WeakPolarHBondContact O-CG 3.39Å; E284-E288 PolarHBondContact O-N 3.19Å; E288-Y292 WeakPolarHBondContact O-CB 3.44Å; E288-Y292 PolarHBondContact O-N 3.46Å
289A98.1Very high96.1Very high5 Ų572.5 Ų72.54%0.04136%0.359CS..Hα-helixtrans-67.8-37.2175.800000112.1Q285 V286 K287 Y292 C293 T323 I326 L327Q285-A289 WeakPolarHBondContact O-CB 3.19Å; Q285-A289 PolarHBondContact O-N 3.29Å; V286-A289 PolarHBondContact O-N 2.9Å; K287-A289 VanDerWaalsContact C-N 3.29Å; K287-A289 PolarHBondContact O-N 2.76Å; A289-Y292 PolarHBondContact O-N 2.96Å; A289-C293 PolarHBondContact O-N 3.46Å; A289-C293 PolarHBondContact O-SG 2.81Å; A289-T323 HydrophobicContact CB-CG2 4.12Å; A289-I326 HydrophobicContact CB-CB 4.17Å; A289-I326 HydrophobicContact CB-CD1 4.18Å; A289-I326 HydrophobicContact CB-CG2 3.89Å; A289-L327 HydrophobicContact CB-CD1 4.26Å; A289-L327 HydrophobicContact CB-CD2 3.73Å; A289-L327 HydrophobicContact CB-CG 3.92Å
290T97.6Very high96.4Very high14 Ų1467.5 Ų67.59%0.08633%0.328CS..Hα-helixtrans-65-49.2175.6-61.70000111.7M271 V286 K287 Y292 C293 F294 H331 Y333M271-T290 HydrophobicContact CE-CG2 3.76Å; V286-T290 WeakPolarHBondContact O-CB 3.38Å; V286-T290 PolarHBondContact O-N 3.37Å; V286-T290 PolarHBondContact O-OG1 3.03Å; K287-T290 WeakPolarHBondContact O-CA 3.14Å; K287-T290 WeakPolarHBondContact O-CB 3.3Å; K287-T290 PolarHBondContact O-N 3.31Å; T290-Y292 PolarHBondContact O-N 3.39Å; T290-C293 WeakPolarHBondContact O-CA 3.49Å; T290-C293 WeakPolarHBondContact O-CB 3.43Å; T290-C293 PolarHBondContact O-N 2.76Å; T290-F294 PolarHBondContact O-N 3.4Å; T290-H331 PolarHBondContact OG1-CE1 3.22Å; T290-H331 VanDerWaalsContact OG1-CE1 3.23Å; T290-H331 PolarHBondContact OG1-NE2 3.42Å; T290-H331 VanDerWaalsContact OG1-NE2 3.11Å; T290-Y333 HydrophobicContact CG2-CD2 3.71Å; T290-Y333 HydrophobicContact CG2-CE2 3.71Å
291D97.4Very high96.3Very high85 Ų8564.5 Ų64.546%0.45532%0.319SS..Hα-helixtrans-60.1-39.4177.4-68.5-17.1000110.3K287 C293 F294 D295K287-D291 PolarHBondContact O-N 3.02Å; D291-C293 PolarHBondContact O-N 2.81Å; D291-F294 WeakPolarHBondContact O-CB 3.46Å; D291-F294 PolarHBondContact O-N 3.4Å; D291-F294 VanDerWaalsContact O-N 3.16Å; D291-D295 PolarHBondContact O-N 3.39Å
292Y98.2Very high96.3Very high53 Ų5368.6 Ų68.621%0.20833%0.334CS..Hα-helixtrans-63.8-38.7173.7-174.3-109.4000113.2E288 A289 T290 F294 M296 K322 T323E288-Y292 WeakPolarHBondContact O-CB 3.44Å; E288-Y292 PolarHBondContact O-N 3.46Å; A289-Y292 PolarHBondContact O-N 2.96Å; T290-Y292 PolarHBondContact O-N 3.39Å; Y292-F294 VanDerWaalsContact C-N 3.31Å; Y292-M296 HydrophobicContact CD1-CG 4.32Å; Y292-M296 HydrophobicContact CD2-CG 4.41Å; Y292-M296 HydrophobicContact CE1-CG 3.97Å; Y292-M296 HydrophobicContact CE2-CG 4.04Å; Y292-M296 HydrophobicContact CE2-SD 4.24Å; Y292-M296 WeakPolarHBondContact O-CB 3.34Å; Y292-M296 WeakPolarHBondContact O-CG 3.31Å; Y292-M296 PolarHBondContact O-N 2.81Å; Y292-M296 VanDerWaalsContact O-N 3.15Å; Y292-K322 HydrophobicContact CD1-CB 4.35Å; Y292-K322 HydrophobicContact CD1-CD 3.7Å; Y292-K322 HydrophobicContact CD1-CG 4.36Å; Y292-K322 HydrophobicContact CD2-CD 4.46Å; Y292-K322 HydrophobicContact CE1-CB 3.93Å; Y292-K322 HydrophobicContact CE1-CD 3.49Å; Y292-K322 VanDerWaalsContact CE1-CD 3.49Å; Y292-K322 HydrophobicContact CE1-CG 4.23Å; Y292-K322 HydrophobicContact CE2-CD 4.31Å; Y292-K322 HydrophobicContact CG-CD 4.18Å; Y292-T323 HydrophobicContact CD1-CG2 3.86Å
293C97.6Very high96.3Very high0 Ų066.1 Ų66.10%032%0.318CS..Hα-helixtrans-60.2-43.8171.5-71.20000111.3A289 T290 D291 M296 M297 C319 Y333 M337A289-C293 PolarHBondContact O-N 3.46Å; A289-C293 PolarHBondContact O-SG 2.81Å; T290-C293 WeakPolarHBondContact O-CA 3.49Å; T290-C293 WeakPolarHBondContact O-CB 3.43Å; T290-C293 PolarHBondContact O-N 2.76Å; D291-C293 PolarHBondContact O-N 2.81Å; C293-M296 PolarHBondContact O-N 3.37Å; C293-M297 WeakPolarHBondContact O-CG 3.41Å; C293-M297 PolarHBondContact O-N 3.47Å; C293-C319 VanDerWaalsContact SG-SG 3.61Å; C293-Y333 HydrophobicContact CB-CG 4.34Å; C293-M337 HydrophobicContact CB-CE 4.43Å; C293-M337 WeakPolarHBondContact O-CE 3.23Å
294F94.2Very high96.1Very high117 Ų11763.5 Ų63.551%0.51330%0.297SS..Hα-helixtrans-58.6-51.1-179.5-172.2-94000112T290 D291 Y292 M296 M297 E298T290-F294 PolarHBondContact O-N 3.4Å; D291-F294 WeakPolarHBondContact O-CB 3.46Å; D291-F294 PolarHBondContact O-N 3.4Å; D291-F294 VanDerWaalsContact O-N 3.16Å; Y292-F294 VanDerWaalsContact C-N 3.31Å; F294-M296 VanDerWaalsContact C-N 3.26Å; F294-M296 PolarHBondContact O-N 2.91Å; F294-M297 HydrophobicContact CB-CE 4.5Å; F294-M297 HydrophobicContact CD2-CE 4.16Å; F294-M297 PolarHBondContact O-N 3.43Å; F294-M297 VanDerWaalsContact O-N 3.17Å; F294-E298 PolarHBondContact O-N 2.86Å
295D96.2Very high95.8Very high84 Ų8465.6 Ų65.645%0.44931%0.311SS..Hα-helixtrans-59.2-37.6177-75.7-8.7000112.8D291D291-D295 PolarHBondContact O-N 3.39Å
296M97.5Very high95.6Very high5 Ų567.8 Ų67.83%0.02533%0.325CS..Hα-helixtrans-73-34.4179.8-69.1-62.2-81.200111.8Y292 C293 F294 K299 M300 I315 Q318 C319 M337Y292-M296 HydrophobicContact CD1-CG 4.32Å; Y292-M296 HydrophobicContact CD2-CG 4.41Å; Y292-M296 HydrophobicContact CE1-CG 3.97Å; Y292-M296 HydrophobicContact CE2-CG 4.04Å; Y292-M296 HydrophobicContact CE2-SD 4.24Å; Y292-M296 WeakPolarHBondContact O-CB 3.34Å; Y292-M296 WeakPolarHBondContact O-CG 3.31Å; Y292-M296 PolarHBondContact O-N 2.81Å; Y292-M296 VanDerWaalsContact O-N 3.15Å; C293-M296 PolarHBondContact O-N 3.37Å; F294-M296 VanDerWaalsContact C-N 3.26Å; F294-M296 PolarHBondContact O-N 2.91Å; M296-K299 PolarHBondContact O-N 3.08Å; M296-K299 HydrophobicContact SD-CD 4.19Å; M296-M300 VanDerWaalsContact O-CB 3.3Å; M296-M300 WeakPolarHBondContact O-CB 3.31Å; M296-M300 PolarHBondContact O-N 3.4Å; M296-I315 HydrophobicContact CB-CG2 4.11Å; M296-I315 HydrophobicContact CE-CB 4.16Å; M296-I315 HydrophobicContact CE-CG2 3.61Å; M296-I315 VanDerWaalsContact CE-O 3.3Å; M296-I315 WeakPolarHBondContact CE-O 3.28Å; M296-I315 WeakPolarHBondContact O-CG2 3.24Å; M296-I315 HydrophobicContact SD-CG2 4.39Å; M296-Q318 HydrophobicContact CE-CB 3.93Å; M296-C319 HydrophobicContact CB-CB 4.11Å; M296-C319 HydrophobicContact CE-CB 4.46Å; M296-C319 HydrophobicContact CG-CB 4.2Å; M296-M337 HydrophobicContact CB-CE 4.05Å
297M94.9Very high95.3Very high25 Ų2568.9 Ų68.912%0.12334%0.339CS..Hα-helixtrans-64-40.3174.4-70.9-172.6-60.100112.3C293 F294 K299 M300 D301 Y333 R336 M337C293-M297 WeakPolarHBondContact O-CG 3.41Å; C293-M297 PolarHBondContact O-N 3.47Å; F294-M297 HydrophobicContact CB-CE 4.5Å; F294-M297 HydrophobicContact CD2-CE 4.16Å; F294-M297 PolarHBondContact O-N 3.43Å; F294-M297 VanDerWaalsContact O-N 3.17Å; M297-K299 VanDerWaalsContact C-N 3.28Å; M297-K299 PolarHBondContact O-N 2.83Å; M297-M300 HydrophobicContact CB-CE 4.47Å; M297-M300 HydrophobicContact CG-CE 4.28Å; M297-M300 WeakPolarHBondContact O-CB 3.35Å; M297-M300 PolarHBondContact O-N 3.32Å; M297-M300 VanDerWaalsContact O-N 3.12Å; M297-D301 PolarHBondContact O-N 3.11Å; M297-Y333 HydrophobicContact CE-CD1 3.23Å; M297-Y333 HydrophobicContact CE-CE1 3.4Å; M297-Y333 HydrophobicContact CE-CG 4.46Å; M297-Y333 HydrophobicContact SD-CD1 3.96Å; M297-R336 HydrophobicContact SD-CB 4.41Å; M297-R336 HydrophobicContact SD-CG 3.84Å; M297-M337 HydrophobicContact CB-CE 4.35Å; M297-M337 HydrophobicContact CG-CE 3.28Å; M297-M337 HydrophobicContact SD-CE 4.44Å
298E94.4Very high95.3Very high100 Ų10067 Ų6747%0.46734%0.335SS..Hα-helixtrans-61-40178.2-162.9-15914900111.5F294 K302F294-E298 PolarHBondContact O-N 2.86Å; E298-K302 WeakPolarHBondContact O-CG 3.43Å; E298-K302 PolarHBondContact O-N 3.01Å; E298-K302 WeakPolarHBondContact OE1-CE 3.39Å; E298-K302 IonicContact OE1-NZ 2.68Å; E298-K302 PolarHBondContact OE1-NZ 3.11Å
299K96.1Very high95.2Very high112 Ų11265 Ų6549%0.48732%0.323SS..Hα-helixtrans-67.9-41.8174.6-64.1171.3-169.6165.60111.6M296 M297 D301 K302 A303 I315M296-K299 PolarHBondContact O-N 3.08Å; M296-K299 HydrophobicContact SD-CD 4.19Å; M297-K299 VanDerWaalsContact C-N 3.28Å; M297-K299 PolarHBondContact O-N 2.83Å; K299-D301 VanDerWaalsContact C-N 3.35Å; K299-K302 PolarHBondContact O-N 3.3Å; K299-A303 PolarHBondContact O-N 3.07Å; K299-I315 HydrophobicContact CB-CD1 3.93Å
300M95.5Very high95.1Very high0 Ų070.8 Ų70.80%035%0.348CS..Hα-helixtrans-59.8-44.9178.4-172.1-174.467.200111.4M296 M297 K302 A303 R304 V312 I315 M337 T340M296-M300 VanDerWaalsContact O-CB 3.3Å; M296-M300 WeakPolarHBondContact O-CB 3.31Å; M296-M300 PolarHBondContact O-N 3.4Å; M297-M300 HydrophobicContact CB-CE 4.47Å; M297-M300 HydrophobicContact CG-CE 4.28Å; M297-M300 WeakPolarHBondContact O-CB 3.35Å; M297-M300 PolarHBondContact O-N 3.32Å; M297-M300 VanDerWaalsContact O-N 3.12Å; M300-K302 PolarHBondContact O-N 3.26Å; M300-A303 PolarHBondContact O-N 2.98Å; M300-R304 WeakPolarHBondContact O-CB 3.3Å; M300-R304 PolarHBondContact O-N 3.36Å; M300-V312 HydrophobicContact CG-CG1 3.87Å; M300-V312 HydrophobicContact CG-CG2 4.47Å; M300-V312 HydrophobicContact SD-CG1 4.5Å; M300-I315 HydrophobicContact CB-CG2 3.96Å; M300-M337 HydrophobicContact SD-SD 4.34Å; M300-T340 HydrophobicContact CE-CG2 4.18Å; M300-T340 HydrophobicContact CG-CG2 4.42Å; M300-T340 HydrophobicContact SD-CG2 3.54Å; M300-T340 VanDerWaalsContact SD-CG2 3.54Å
301D91.3Very high95.1Very high73 Ų7373.1 Ų73.139%0.3936%0.358SS..Hα-helixtrans-65.4-40.4-179.5-72.6-23.2000111.2M297 K299 A303 R304 L305M297-D301 PolarHBondContact O-N 3.11Å; K299-D301 VanDerWaalsContact C-N 3.35Å; D301-A303 PolarHBondContact O-N 3.46Å; D301-R304 PolarHBondContact O-N 3.16Å; D301-L305 VanDerWaalsContact O-CG 3.29Å; D301-L305 WeakPolarHBondContact O-CG 3.35Å; D301-L305 PolarHBondContact O-N 3.22Å
302K94.4Very high95.1Very high111 Ų11169.1 Ų69.148%0.48334%0.337SS..Hα-helixtrans-60.5-44.6172.5-69.9172.3-1711680112.1E298 K299 M300 L305 N306E298-K302 WeakPolarHBondContact O-CG 3.43Å; E298-K302 PolarHBondContact O-N 3.01Å; E298-K302 WeakPolarHBondContact OE1-CE 3.39Å; E298-K302 IonicContact OE1-NZ 2.68Å; E298-K302 PolarHBondContact OE1-NZ 3.11Å; K299-K302 PolarHBondContact O-N 3.3Å; M300-K302 PolarHBondContact O-N 3.26Å; K302-L305 PolarHBondContact O-N 3.39Å; K302-N306 PolarHBondContact O-N 2.95Å; K302-N306 PolarHBondContact O-ND2 3.04Å
303A95.5Very high95.1Very high10 Ų1067 Ų678%0.08333%0.33CS..Hα-helixtrans-63.8-41.9176.900000111.9K299 M300 D301 L305 N306 G307 D308 E311 V312 I315K299-A303 PolarHBondContact O-N 3.07Å; M300-A303 PolarHBondContact O-N 2.98Å; D301-A303 PolarHBondContact O-N 3.46Å; A303-L305 PolarHBondContact O-N 3.09Å; A303-N306 PolarHBondContact O-N 2.92Å; A303-G307 PolarHBondContact O-N 3.04Å; A303-D308 PolarHBondContact O-N 3.4Å; A303-E311 HydrophobicContact CB-CB 4.21Å; A303-E311 HydrophobicContact CB-CG 4.23Å; A303-V312 HydrophobicContact CB-CG2 3.75Å; A303-I315 HydrophobicContact CB-CD1 4.26Å
304R91.4Very high95.2Very high91 Ų9171.7 Ų71.734%0.34335%0.35SS..Hα-helixtrans-63-41.8177.5-167.4175.4-172.3158.96.3111.9M300 D301 N306 G307 V312 E343M300-R304 WeakPolarHBondContact O-CB 3.3Å; M300-R304 PolarHBondContact O-N 3.36Å; D301-R304 PolarHBondContact O-N 3.16Å; R304-N306 VanDerWaalsContact C-N 3.27Å; R304-N306 PolarHBondContact O-N 3.15Å; R304-G307 PolarHBondContact O-N 3.12Å; R304-V312 HydrophobicContact CB-CG2 4.07Å; R304-E343 IonicContact CZ-OE2 3.89Å; R304-E343 IonicContact NH1-OE2 2.64Å; R304-E343 IonicContact NH2-OE2 3.47Å; R304-E343 PolarHBondContact NH2-OE2 3.13Å
305L90.2Very high95.3Very high152 Ų15266.4 Ų66.480%0.79633%0.327SS*.Hα-helixtrans-62.1-34.8175.9-74171.2000112.6D301 K302 A303 G307D301-L305 VanDerWaalsContact O-CG 3.29Å; D301-L305 WeakPolarHBondContact O-CG 3.35Å; D301-L305 PolarHBondContact O-N 3.22Å; K302-L305 PolarHBondContact O-N 3.39Å; A303-L305 PolarHBondContact O-N 3.09Å; L305-G307 VanDerWaalsContact C-N 3.25Å; L305-G307 PolarHBondContact O-N 3.21Å
306N93Very high95.4Very high137 Ų13762.4 Ų62.473%0.73331%0.306SS*.THydrogen-bonded Turntrans-80.7-3.7176-66.3-26.5000113.5K302 A303 R304 D308K302-N306 PolarHBondContact O-N 2.95Å; K302-N306 PolarHBondContact O-ND2 3.04Å; A303-N306 PolarHBondContact O-N 2.92Å; R304-N306 VanDerWaalsContact C-N 3.27Å; R304-N306 PolarHBondContact O-N 3.15Å; N306-D308 VanDerWaalsContact C-N 3.26Å; N306-D308 PolarHBondContact O-N 2.74Å
307G92.6Very high95.4Very high36 Ų3666.6 Ų66.637%0.37132%0.321SS..THydrogen-bonded Turntrans71.316.5-17600000114.3A303 R304 L305 Y309A303-G307 PolarHBondContact O-N 3.04Å; R304-G307 PolarHBondContact O-N 3.12Å; L305-G307 VanDerWaalsContact C-N 3.25Å; L305-G307 PolarHBondContact O-N 3.21Å; G307-Y309 WeakPolarHBondContact O-CD2 3.14Å; G307-Y309 PolarHBondContact O-N 3.05Å; G307-Y309 VanDerWaalsContact O-N 3.12Å
308D96.3Very high95.6Very high77 Ų7769.5 Ų69.541%0.41233%0.334SS..  trans-86.378178.2-167.9-17000110.8A303 N306 H310 E311 V312A303-D308 PolarHBondContact O-N 3.4Å; N306-D308 VanDerWaalsContact C-N 3.26Å; N306-D308 PolarHBondContact O-N 2.74Å; D308-H310 VanDerWaalsContact C-N 3.26Å; D308-H310 PolarHBondContact O-N 2.92Å; D308-H310 PolarHBondContact OD1-N 2.92Å; D308-E311 HydrophobicContact CB-CB 4.23Å; D308-E311 PolarHBondContact O-N 2.59Å; D308-E311 PolarHBondContact OD1-N 3.28Å; D308-V312 WeakPolarHBondContact O-CG2 3.34Å; D308-V312 PolarHBondContact O-N 3Å; D308-V312 VanDerWaalsContact O-N 3.12Å
309Y96.3Very high95.8Very high79 Ų7964.7 Ų64.731%0.3131%0.312SS..Hα-helixtrans-67.1-25-177.5-61.2-61.5000113.5G307 V313 V344 Y347G307-Y309 WeakPolarHBondContact O-CD2 3.14Å; G307-Y309 PolarHBondContact O-N 3.05Å; G307-Y309 VanDerWaalsContact O-N 3.12Å; Y309-V313 WeakPolarHBondContact O-CG2 3.5Å; Y309-V313 PolarHBondContact O-N 2.9Å; Y309-V313 VanDerWaalsContact O-N 3.1Å; Y309-V344 HydrophobicContact CD1-CG1 4.24Å; Y309-V344 HydrophobicContact CG-CG1 4.41Å; Y309-V344 WeakPolarHBondContact O-CG1 3.28Å; Y309-Y347 HydrophobicContact CD2-CD1 4.06Å; Y309-Y347 AromaticContact CD2-CE1 3.47Å; Y309-Y347 HydrophobicContact CD2-CE1 3.47Å; Y309-Y347 VanDerWaalsContact CD2-CE1 3.47Å; Y309-Y347 HydrophobicContact CE2-CD1 4.34Å; Y309-Y347 AromaticContact CE2-CE1 3.58Å; Y309-Y347 HydrophobicContact CE2-CE1 3.58Å; Y309-Y347 AromaticContact CE2-CZ 3.91Å; Y309-Y347 HydrophobicContact CG-CD1 4.22Å; Y309-Y347 HydrophobicContact CG-CE1 4.1Å
310H96.6Very high95.9Very high126 Ų12659.7 Ų59.758%0.58329%0.29SS*.Hα-helixtrans-73.3-39.8176.4-69.8-53.4000111.5D308 V312 V313 K314D308-H310 VanDerWaalsContact C-N 3.26Å; D308-H310 PolarHBondContact O-N 2.92Å; D308-H310 PolarHBondContact OD1-N 2.92Å; H310-V312 VanDerWaalsContact C-N 3.33Å; H310-V313 PolarHBondContact O-N 2.95Å; H310-K314 PolarHBondContact O-N 2.97Å
311E97.8Very high96Very high63 Ų6365.9 Ų65.929%0.29432%0.319SS..Hα-helixtrans-66.2-37.3172.8-170.164-167.100111.2A303 D308 V313 K314 I315A303-E311 HydrophobicContact CB-CB 4.21Å; A303-E311 HydrophobicContact CB-CG 4.23Å; D308-E311 HydrophobicContact CB-CB 4.23Å; D308-E311 PolarHBondContact O-N 2.59Å; D308-E311 PolarHBondContact OD1-N 3.28Å; E311-V313 PolarHBondContact O-N 3.03Å; E311-K314 PolarHBondContact O-N 3.02Å; E311-K314 IonicContact OE1-NZ 3.56Å; E311-K314 PolarHBondContact OE1-NZ 2.9Å; E311-K314 VanDerWaalsContact OE1-NZ 3.17Å; E311-K314 VanDerWaalsContact OE2-CD 3.23Å; E311-K314 WeakPolarHBondContact OE2-CD 3.42Å; E311-K314 IonicContact OE2-NZ 3.42Å; E311-K314 PolarHBondContact OE2-NZ 3.32Å; E311-I315 HydrophobicContact CG-CD1 3.92Å; E311-I315 HydrophobicContact CG-CG1 4.35Å; E311-I315 WeakPolarHBondContact O-CB 3.38Å; E311-I315 VanDerWaalsContact O-CG1 3.26Å; E311-I315 WeakPolarHBondContact O-CG1 3.42Å; E311-I315 PolarHBondContact O-N 3.4Å
312V97.8Very high96.3Very high0 Ų068 Ų680%033%0.325CS..Hα-helixtrans-56.7-47.3172.4172.70000111.6M300 A303 R304 D308 H310 K314 I315 C316 T340 V344M300-V312 HydrophobicContact CG-CG1 3.87Å; M300-V312 HydrophobicContact CG-CG2 4.47Å; M300-V312 HydrophobicContact SD-CG1 4.5Å; A303-V312 HydrophobicContact CB-CG2 3.75Å; R304-V312 HydrophobicContact CB-CG2 4.07Å; D308-V312 WeakPolarHBondContact O-CG2 3.34Å; D308-V312 PolarHBondContact O-N 3Å; D308-V312 VanDerWaalsContact O-N 3.12Å; H310-V312 VanDerWaalsContact C-N 3.33Å; V312-K314 PolarHBondContact O-N 2.8Å; V312-I315 PolarHBondContact O-N 2.85Å; V312-C316 WeakPolarHBondContact O-CB 3.4Å; V312-C316 PolarHBondContact O-N 2.98Å; V312-C316 PolarHBondContact O-SG 3.01Å; V312-T340 HydrophobicContact CG1-CG2 3.86Å; V312-V344 HydrophobicContact CG1-CB 4.5Å; V312-V344 HydrophobicContact CG1-CG2 3.8Å
313V98Very high96.5Very high10 Ų1062.8 Ų62.86%0.06130%0.302CS..Hα-helixtrans-60.7-44.7177.1167.70000111.3Y309 H310 E311 C316 R317 M341 V344 Q345 L348Y309-V313 WeakPolarHBondContact O-CG2 3.5Å; Y309-V313 PolarHBondContact O-N 2.9Å; Y309-V313 VanDerWaalsContact O-N 3.1Å; H310-V313 PolarHBondContact O-N 2.95Å; E311-V313 PolarHBondContact O-N 3.03Å; V313-C316 PolarHBondContact O-N 3.48Å; V313-R317 WeakPolarHBondContact O-CB 3.48Å; V313-R317 PolarHBondContact O-N 3.32Å; V313-M341 HydrophobicContact CB-SD 4.43Å; V313-M341 HydrophobicContact CG1-CE 4.29Å; V313-M341 HydrophobicContact CG1-SD 4.02Å; V313-M341 HydrophobicContact CG2-SD 4.35Å; V313-V344 HydrophobicContact CG2-CB 4.26Å; V313-V344 HydrophobicContact CG2-CG1 3.62Å; V313-Q345 HydrophobicContact CG2-CG 4.33Å; V313-L348 HydrophobicContact CG2-CD1 4.07Å
314K98.2Very high96.5Very high97 Ų9764.3 Ų64.342%0.42231%0.308SS..Hα-helixtrans-62.5-44.7179.5-179.7-166.7167.8-157.80111.8H310 E311 V312 R317 Q318H310-K314 PolarHBondContact O-N 2.97Å; E311-K314 PolarHBondContact O-N 3.02Å; E311-K314 IonicContact OE1-NZ 3.56Å; E311-K314 PolarHBondContact OE1-NZ 2.9Å; E311-K314 VanDerWaalsContact OE1-NZ 3.17Å; E311-K314 VanDerWaalsContact OE2-CD 3.23Å; E311-K314 WeakPolarHBondContact OE2-CD 3.42Å; E311-K314 IonicContact OE2-NZ 3.42Å; E311-K314 PolarHBondContact OE2-NZ 3.32Å; V312-K314 PolarHBondContact O-N 2.8Å; K314-R317 PolarHBondContact O-N 2.98Å; K314-Q318 WeakPolarHBondContact O-CB 3.5Å; K314-Q318 VanDerWaalsContact O-CG 3.3Å; K314-Q318 WeakPolarHBondContact O-CG 3.23Å; K314-Q318 PolarHBondContact O-N 3.05Å
315I98.2Very high96.7Very high7 Ų763.9 Ų63.94%0.03632%0.317CS..Hα-helixtrans-60.6-49175.8-68.9167.8000110.1M296 K299 M300 A303 E311 V312 R317 Q318 C319M296-I315 HydrophobicContact CB-CG2 4.11Å; M296-I315 HydrophobicContact CE-CB 4.16Å; M296-I315 HydrophobicContact CE-CG2 3.61Å; M296-I315 VanDerWaalsContact CE-O 3.3Å; M296-I315 WeakPolarHBondContact CE-O 3.28Å; M296-I315 WeakPolarHBondContact O-CG2 3.24Å; M296-I315 HydrophobicContact SD-CG2 4.39Å; K299-I315 HydrophobicContact CB-CD1 3.93Å; M300-I315 HydrophobicContact CB-CG2 3.96Å; A303-I315 HydrophobicContact CB-CD1 4.26Å; E311-I315 HydrophobicContact CG-CD1 3.92Å; E311-I315 HydrophobicContact CG-CG1 4.35Å; E311-I315 WeakPolarHBondContact O-CB 3.38Å; E311-I315 VanDerWaalsContact O-CG1 3.26Å; E311-I315 WeakPolarHBondContact O-CG1 3.42Å; E311-I315 PolarHBondContact O-N 3.4Å; V312-I315 PolarHBondContact O-N 2.85Å; I315-R317 VanDerWaalsContact C-N 3.35Å; I315-R317 PolarHBondContact O-N 3.36Å; I315-Q318 PolarHBondContact O-N 2.96Å; I315-C319 WeakPolarHBondContact O-CB 3.5Å; I315-C319 PolarHBondContact O-N 2.96Å
316C97.9Very high97.1Very high0 Ų058.6 Ų58.60%029%0.289CS..Hα-helixtrans-58.9-46.3177.7-69.20000111.4V312 V313 C319 I320 M341V312-C316 WeakPolarHBondContact O-CB 3.4Å; V312-C316 PolarHBondContact O-N 2.98Å; V312-C316 PolarHBondContact O-SG 3.01Å; V313-C316 PolarHBondContact O-N 3.48Å; C316-C319 PolarHBondContact O-N 3.49Å; C316-I320 HydrophobicContact CB-CD1 4.39Å; C316-I320 WeakPolarHBondContact O-CB 3.45Å; C316-I320 WeakPolarHBondContact O-CD1 3.48Å; C316-I320 WeakPolarHBondContact O-CG1 3.39Å; C316-I320 PolarHBondContact O-N 3.12Å; C316-M341 HydrophobicContact CB-CB 4.16Å; C316-M341 HydrophobicContact CB-CE 3.76Å; C316-M341 HydrophobicContact CB-SD 3.95Å
317R98.1Very high97.3Very high92 Ų9252.2 Ų52.235%0.34726%0.255SS..Hα-helixtrans-60.5-49.9-179.4-170.3169.9-70.2134.3-3.4111.2V313 K314 I315 C319 I320 E321 M341 E353V313-R317 WeakPolarHBondContact O-CB 3.48Å; V313-R317 PolarHBondContact O-N 3.32Å; K314-R317 PolarHBondContact O-N 2.98Å; I315-R317 VanDerWaalsContact C-N 3.35Å; I315-R317 PolarHBondContact O-N 3.36Å; R317-C319 VanDerWaalsContact C-N 3.29Å; R317-C319 PolarHBondContact O-N 3.23Å; R317-I320 PolarHBondContact O-N 3.36Å; R317-E321 HydrophobicContact CG-CG 4.34Å; R317-E321 VanDerWaalsContact CG-OE1 3.28Å; R317-E321 WeakPolarHBondContact CG-OE1 3.13Å; R317-E321 WeakPolarHBondContact O-CB 3.31Å; R317-E321 VanDerWaalsContact O-CG 3.29Å; R317-E321 WeakPolarHBondContact O-CG 3.22Å; R317-E321 PolarHBondContact O-N 2.95Å; R317-M341 HydrophobicContact CB-CE 3.73Å; R317-M341 HydrophobicContact CG-CE 4.49Å; R317-E353 IonicContact CZ-OE1 3.99Å; R317-E353 IonicContact NE-OE1 3.57Å; R317-E353 IonicContact NH2-OE1 3.96Å; R317-E353 PolarHBondContact NH2-OE1 3.24Å; R317-E353 IonicContact NH2-OE2 3.48Å; R317-E353 PolarHBondContact NH2-OE2 2.92Å
318Q98.2Very high97.5Very high86 Ų8651.1 Ų51.140%0.40224%0.243SC..Hα-helixtrans-59.5-40.4177.2-73.3179.5-900112.2M296 K314 I315 K322M296-Q318 HydrophobicContact CE-CB 3.93Å; K314-Q318 WeakPolarHBondContact O-CB 3.5Å; K314-Q318 VanDerWaalsContact O-CG 3.3Å; K314-Q318 WeakPolarHBondContact O-CG 3.23Å; K314-Q318 PolarHBondContact O-N 3.05Å; I315-Q318 PolarHBondContact O-N 2.96Å; Q318-K322 PolarHBondContact O-N 3.15Å
319C98.4Very high97.6Very high0 Ų052 Ų520%024%0.244CC..Hα-helixtrans-63.7-56.3176.4-169.30000111.2C293 M296 I315 C316 R317 E321 K322 T323 M337C293-C319 VanDerWaalsContact SG-SG 3.61Å; M296-C319 HydrophobicContact CB-CB 4.11Å; M296-C319 HydrophobicContact CE-CB 4.46Å; M296-C319 HydrophobicContact CG-CB 4.2Å; I315-C319 WeakPolarHBondContact O-CB 3.5Å; I315-C319 PolarHBondContact O-N 2.96Å; C316-C319 PolarHBondContact O-N 3.49Å; R317-C319 VanDerWaalsContact C-N 3.29Å; R317-C319 PolarHBondContact O-N 3.23Å; C319-E321 PolarHBondContact O-N 2.88Å; C319-K322 PolarHBondContact O-N 2.95Å; C319-K322 VanDerWaalsContact O-N 3.1Å; C319-T323 WeakPolarHBondContact O-CG2 3.43Å; C319-T323 PolarHBondContact O-N 3.31Å; C319-T323 PolarHBondContact O-OG1 3.23Å; C319-M337 HydrophobicContact CB-CE 4.19Å; C319-M337 HydrophobicContact CB-CG 4.34Å; C319-M337 HydrophobicContact CB-SD 3.98Å
320I98.1Very high97.6Very high6 Ų648.9 Ų48.93%0.03123%0.233CC..Hα-helixtrans-57.9-46.2-177.2-68.7162.5000111.5C316 R317 K322 T323 E324 M337 M341 F357C316-I320 HydrophobicContact CB-CD1 4.39Å; C316-I320 WeakPolarHBondContact O-CB 3.45Å; C316-I320 WeakPolarHBondContact O-CD1 3.48Å; C316-I320 WeakPolarHBondContact O-CG1 3.39Å; C316-I320 PolarHBondContact O-N 3.12Å; R317-I320 PolarHBondContact O-N 3.36Å; I320-K322 PolarHBondContact O-N 3.48Å; I320-T323 PolarHBondContact O-N 2.96Å; I320-E324 HydrophobicContact CG2-CB 4.18Å; I320-E324 VanDerWaalsContact CG2-OE2 3.3Å; I320-E324 WeakPolarHBondContact CG2-OE2 3.35Å; I320-E324 WeakPolarHBondContact O-CB 3.49Å; I320-E324 PolarHBondContact O-N 3.24Å; I320-M337 HydrophobicContact CD1-CB 4.15Å; I320-M337 HydrophobicContact CG1-CB 3.8Å; I320-M341 HydrophobicContact CD1-CB 4.15Å; I320-M341 HydrophobicContact CD1-CE 4.29Å; I320-M341 HydrophobicContact CD1-CG 4.34Å; I320-F357 HydrophobicContact CD1-CD1 4.34Å; I320-F357 HydrophobicContact CD1-CE1 3.84Å; I320-F357 HydrophobicContact CD1-CZ 4.22Å; I320-F357 HydrophobicContact CG2-CE1 4.15Å
321E97.8Very high97.7Very high130 Ų13042.9 Ų42.961%0.60721%0.205SC*.Hα-helixtrans-57.5-36.3179.4-77173.2-178.400112.3R317 C319R317-E321 HydrophobicContact CG-CG 4.34Å; R317-E321 VanDerWaalsContact CG-OE1 3.28Å; R317-E321 WeakPolarHBondContact CG-OE1 3.13Å; R317-E321 WeakPolarHBondContact O-CB 3.31Å; R317-E321 VanDerWaalsContact O-CG 3.29Å; R317-E321 WeakPolarHBondContact O-CG 3.22Å; R317-E321 PolarHBondContact O-N 2.95Å; C319-E321 PolarHBondContact O-N 2.88Å
322K97.6Very high97.7Very high119 Ų11940.8 Ų40.852%0.51720%0.196SC..Hα-helixtrans-81.8-36.3179.7-169.6176.1174.7-168.70112.7Y292 Q318 C319 I320Y292-K322 HydrophobicContact CD1-CB 4.35Å; Y292-K322 HydrophobicContact CD1-CD 3.7Å; Y292-K322 HydrophobicContact CD1-CG 4.36Å; Y292-K322 HydrophobicContact CD2-CD 4.46Å; Y292-K322 HydrophobicContact CE1-CB 3.93Å; Y292-K322 HydrophobicContact CE1-CD 3.49Å; Y292-K322 VanDerWaalsContact CE1-CD 3.49Å; Y292-K322 HydrophobicContact CE1-CG 4.23Å; Y292-K322 HydrophobicContact CE2-CD 4.31Å; Y292-K322 HydrophobicContact CG-CD 4.18Å; Q318-K322 PolarHBondContact O-N 3.15Å; C319-K322 PolarHBondContact O-N 2.95Å; C319-K322 VanDerWaalsContact O-N 3.1Å; I320-K322 PolarHBondContact O-N 3.48Å
323T97.7Very high97.7Very high0 Ų043.8 Ų43.80%021%0.208CC..Hα-helixtrans-100.4-28.5-167.662.30000114.3A289 Y292 C319 I320 P325 I326 L327 Q334A289-T323 HydrophobicContact CB-CG2 4.12Å; Y292-T323 HydrophobicContact CD1-CG2 3.86Å; C319-T323 WeakPolarHBondContact O-CG2 3.43Å; C319-T323 PolarHBondContact O-N 3.31Å; C319-T323 PolarHBondContact O-OG1 3.23Å; I320-T323 PolarHBondContact O-N 2.96Å; T323-P325 VanDerWaalsContact C-CD 3.41Å; T323-P325 VanDerWaalsContact C-N 3.34Å; T323-I326 CarbonylContact O-C 3.56Å; T323-I326 PolarHBondContact O-N 2.88Å; T323-L327 HydrophobicContact CG2-CD1 4.32Å; T323-L327 PolarHBondContact O-N 3.25Å; T323-Q334 PolarHBondContact OG1-OE1 3.17Å
324E96.1Very high97.6Very high42 Ų4243.3 Ų43.320%0.19621%0.205CC..THydrogen-bonded Turntrans-60.5-29.4-178.8-176.5167.3-160.900115.1R274 I320 I326 W338 K360R274-E324 VanDerWaalsContact CD-O 3.32Å; R274-E324 WeakPolarHBondContact CD-O 3.5Å; R274-E324 PolarHBondContact NH1-O 3.4Å; I320-E324 HydrophobicContact CG2-CB 4.18Å; I320-E324 VanDerWaalsContact CG2-OE2 3.3Å; I320-E324 WeakPolarHBondContact CG2-OE2 3.35Å; I320-E324 WeakPolarHBondContact O-CB 3.49Å; I320-E324 PolarHBondContact O-N 3.24Å; E324-I326 PolarHBondContact O-N 2.85Å; E324-W338 HydrophobicContact CG-CZ2 4.1Å; E324-W338 WeakPolarHBondContact OE1-CZ2 3.23Å; E324-K360 WeakPolarHBondContact OE1-CE 3.27Å; E324-K360 IonicContact OE1-NZ 3.77Å; E324-K360 PolarHBondContact OE1-NZ 3.49Å; E324-K360 IonicContact OE2-NZ 3.99Å; E324-K360 PolarHBondContact OE2-NZ 2.98Å
325P96.2Very high97.6Very high83 Ų8338.8 Ų38.854%0.53919%0.185SC..THydrogen-bonded Turntrans-69.1-21170.9-22.135000113.9T323T323-P325 VanDerWaalsContact C-CD 3.41Å; T323-P325 VanDerWaalsContact C-N 3.34Å
326I97.9Very high97.5Very high41 Ų4144 Ų4421%0.2121%0.205CC..THydrogen-bonded Turntrans-108.3-41.8-170.4-58.3169.9000111.6G273 R274 P281 Q285 V286 A289 T323 E324G273-I326 CarbonylContact C-O 3.57Å; G273-I326 VanDerWaalsContact CA-O 3.24Å; G273-I326 WeakPolarHBondContact CA-O 3.41Å; R274-I326 PolarHBondContact N-O 3.31Å; P281-I326 HydrophobicContact CB-CG2 4.04Å; P281-I326 HydrophobicContact CG-CG2 4.18Å; P281-I326 WeakPolarHBondContact CG-O 3.44Å; Q285-I326 HydrophobicContact CB-CG2 4.17Å; V286-I326 HydrophobicContact CG2-CG2 4.44Å; A289-I326 HydrophobicContact CB-CB 4.17Å; A289-I326 HydrophobicContact CB-CD1 4.18Å; A289-I326 HydrophobicContact CB-CG2 3.89Å; T323-I326 CarbonylContact O-C 3.56Å; T323-I326 PolarHBondContact O-N 2.88Å; E324-I326 PolarHBondContact O-N 2.85Å
327L98Very high97.5Very high2 Ų244 Ų441%0.0121%0.205CC..BIsolated β-bridgetrans-90.9139.8-173.1-59.7-176.9000111.4V286 A289 T323 H331 Q334V286-L327 HydrophobicContact CG1-CD2 3.97Å; A289-L327 HydrophobicContact CB-CD1 4.26Å; A289-L327 HydrophobicContact CB-CD2 3.73Å; A289-L327 HydrophobicContact CB-CG 3.92Å; T323-L327 HydrophobicContact CG2-CD1 4.32Å; T323-L327 PolarHBondContact O-N 3.25Å; L327-H331 HydrophobicContact CB-CB 3.93Å; L327-Q334 HydrophobicContact CB-CB 4.32Å; L327-Q334 HydrophobicContact CD1-CB 4.45Å
328A97.4Very high97.5Very high14 Ų1439.8 Ų39.812%0.11619%0.189CC..  trans-62.4157.8177.100000111.9G272 T330 H331G272-A328 WeakPolarHBondContact O-CB 3.41Å; G272-A328 PolarHBondContact O-N 3.5Å; A328-T330 PolarHBondContact O-N 3.12Å; A328-T330 VanDerWaalsContact O-N 3.12Å; A328-H331 WeakPolarHBondContact O-CB 3.42Å; A328-H331 PolarHBondContact O-N 3.4Å
329E96.8Very high97.5Very high94 Ų9436 Ų3644%0.43917%0.172SC..THydrogen-bonded Turntrans-64.7-15.9174.8-55.6177.4163.400113.5L335 W338 K367E329-L335 WeakPolarHBondContact O-CD2 3.48Å; E329-W338 HydrophobicContact CB-CH2 4.14Å; E329-W338 HydrophobicContact CB-CZ3 4.26Å; E329-W338 HydrophobicContact CG-CH2 4.26Å; E329-K367 IonicContact OE2-NZ 2.72Å; E329-K367 PolarHBondContact OE2-NZ 3.2Å
330T97.8Very high97.4Very high14 Ų1436 Ų369%0.08617%0.172CC..THydrogen-bonded Turntrans-96-1.8174.147.40000112.8I269 A328 I332 K367 L368I269-T330 CarbonylContact O-C 3.45Å; I269-T330 VanDerWaalsContact O-CB 3.26Å; I269-T330 WeakPolarHBondContact O-CB 3.45Å; I269-T330 PolarHBondContact O-OG1 2.95Å; A328-T330 PolarHBondContact O-N 3.12Å; A328-T330 VanDerWaalsContact O-N 3.12Å; T330-I332 PolarHBondContact O-N 3.33Å; T330-K367 HydrophobicContact CG2-CB 3.69Å; T330-K367 HydrophobicContact CG2-CD 3.5Å; T330-K367 HydrophobicContact CG2-CG 4.24Å; T330-L368 HydrophobicContact CG2-CD2 4.36Å; T330-L368 HydrophobicContact CG2-CG 4.4Å
331H98.4Very high97.3Very high0 Ų035.8 Ų35.80%017%0.171CC..  trans-66123.3-178.6-165.7-84.7000110.5K270 G272 T290 L327 A328 Y333 Q334 L335K270-H331 CarbonylContact O-C 3.6Å; K270-H331 VanDerWaalsContact O-CA 3.27Å; K270-H331 WeakPolarHBondContact O-CA 3.41Å; G272-H331 PolarHBondContact O-CD2 2.76Å; T290-H331 PolarHBondContact OG1-CE1 3.22Å; T290-H331 VanDerWaalsContact OG1-CE1 3.23Å; T290-H331 PolarHBondContact OG1-NE2 3.42Å; T290-H331 VanDerWaalsContact OG1-NE2 3.11Å; L327-H331 HydrophobicContact CB-CB 3.93Å; A328-H331 WeakPolarHBondContact O-CB 3.42Å; A328-H331 PolarHBondContact O-N 3.4Å; H331-Y333 VanDerWaalsContact C-N 3.28Å; H331-Y333 AromaticContact CE1-CD2 3.55Å; H331-Y333 PolarHBondContact O-N 3.48Å; H331-Q334 HydrophobicContact CB-CB 4.01Å; H331-Q334 WeakPolarHBondContact O-CB 3.26Å; H331-Q334 PolarHBondContact O-N 3.12Å; H331-L335 WeakPolarHBondContact O-CG 3.43Å; H331-L335 PolarHBondContact O-N 2.89Å
332I97.6Very high97.4Very high20 Ų2030.1 Ų30.110%0.10315%0.145CC..Hα-helixtrans-62.9-35.6-16660.3173.6000112.6L238 K270 M271 T330 L335 R336L238-I332 WeakPolarHBondContact O-CG2 3.35Å; K270-I332 HydrophobicContact CB-CG2 3.67Å; K270-I332 HydrophobicContact CD-CG2 4.41Å; K270-I332 HydrophobicContact CG-CG2 3.73Å; K270-I332 PolarHBondContact O-N 3.03Å; M271-I332 HydrophobicContact SD-CD1 3.82Å; M271-I332 HydrophobicContact SD-CG1 3.89Å; T330-I332 PolarHBondContact O-N 3.33Å; I332-L335 PolarHBondContact O-N 3.33Å; I332-R336 WeakPolarHBondContact O-CB 3.33Å; I332-R336 PolarHBondContact O-N 3.1Å
333Y97.1Very high97.3Very high63 Ų6327.7 Ų27.725%0.24714%0.136CC..Hα-helixtrans-73.9-32.8177.1-62.5-72.8000112.7M271 T290 C293 M297 H331 R336 M337M271-Y333 HydrophobicContact CE-CD2 4.3Å; M271-Y333 HydrophobicContact CE-CE2 3.91Å; M271-Y333 HydrophobicContact SD-CD2 4.42Å; M271-Y333 HydrophobicContact SD-CE2 4.1Å; T290-Y333 HydrophobicContact CG2-CD2 3.71Å; T290-Y333 HydrophobicContact CG2-CE2 3.71Å; C293-Y333 HydrophobicContact CB-CG 4.34Å; M297-Y333 HydrophobicContact CE-CD1 3.23Å; M297-Y333 HydrophobicContact CE-CE1 3.4Å; M297-Y333 HydrophobicContact CE-CG 4.46Å; M297-Y333 HydrophobicContact SD-CD1 3.96Å; H331-Y333 VanDerWaalsContact C-N 3.28Å; H331-Y333 AromaticContact CE1-CD2 3.55Å; H331-Y333 PolarHBondContact O-N 3.48Å; Y333-R336 PolarHBondContact O-N 3.41Å; Y333-M337 WeakPolarHBondContact O-CG 3.3Å; Y333-M337 PolarHBondContact O-N 3.32Å; Y333-M337 VanDerWaalsContact O-N 3.09Å
334Q97.1Very high97.2Very high0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-67.6-43.1173.5-173.4674000110T323 L327 H331 R336 M337 W338T323-Q334 PolarHBondContact OG1-OE1 3.17Å; L327-Q334 HydrophobicContact CB-CB 4.32Å; L327-Q334 HydrophobicContact CD1-CB 4.45Å; H331-Q334 HydrophobicContact CB-CB 4.01Å; H331-Q334 WeakPolarHBondContact O-CB 3.26Å; H331-Q334 PolarHBondContact O-N 3.12Å; Q334-R336 VanDerWaalsContact C-N 3.31Å; Q334-R336 PolarHBondContact O-N 3.03Å; Q334-M337 PolarHBondContact O-N 3.04Å; Q334-W338 HydrophobicContact CG-CD2 4.07Å; Q334-W338 HydrophobicContact CG-CE3 4.2Å; Q334-W338 HydrophobicContact CG-CH2 3.68Å; Q334-W338 HydrophobicContact CG-CZ2 3.51Å; Q334-W338 HydrophobicContact CG-CZ3 4.02Å; Q334-W338 PolarHBondContact O-N 3.37Å
335L97.9Very high97.3Very high1 Ų126.1 Ų26.11%0.00513%0.129CC..Hα-helixtrans-60.3-40.1174.7-72168.8000112.1E329 H331 I332 W338 S339 Y365 L368E329-L335 WeakPolarHBondContact O-CD2 3.48Å; H331-L335 WeakPolarHBondContact O-CG 3.43Å; H331-L335 PolarHBondContact O-N 2.89Å; I332-L335 PolarHBondContact O-N 3.33Å; L335-W338 HydrophobicContact CD2-CE3 3.95Å; L335-W338 HydrophobicContact CD2-CZ3 4.15Å; L335-W338 PolarHBondContact O-N 2.66Å; L335-S339 WeakPolarHBondContact O-CB 3.48Å; L335-S339 PolarHBondContact O-N 3.01Å; L335-Y365 HydrophobicContact CB-CE1 3.95Å; L335-Y365 HydrophobicContact CD1-CD1 3.99Å; L335-Y365 HydrophobicContact CD1-CE1 4.06Å; L335-Y365 HydrophobicContact CD2-CD1 4.08Å; L335-Y365 HydrophobicContact CD2-CE1 4.19Å; L335-Y365 HydrophobicContact CG-CD1 4.47Å; L335-Y365 HydrophobicContact CG-CE1 4.31Å; L335-L368 HydrophobicContact CD1-CD1 3.56Å
336R96.6Very high97.3Very high117 Ų11723.2 Ų23.244%0.44211%0.112SC..Hα-helixtrans-63.7-40.2175.9-173.661.1172.7-170.3-1.5112.6M297 I332 Y333 Q334 T340M297-R336 HydrophobicContact SD-CB 4.41Å; M297-R336 HydrophobicContact SD-CG 3.84Å; I332-R336 WeakPolarHBondContact O-CB 3.33Å; I332-R336 PolarHBondContact O-N 3.1Å; Y333-R336 PolarHBondContact O-N 3.41Å; Q334-R336 VanDerWaalsContact C-N 3.31Å; Q334-R336 PolarHBondContact O-N 3.03Å; R336-T340 PolarHBondContact O-N 3.15Å; R336-T340 PolarHBondContact O-OG1 3.32Å
337M97.2Very high97.2Very high0 Ų028.4 Ų28.40%013%0.13CC..Hα-helixtrans-64.9-46.1174.6-69.1-63.1168.200111.4C293 M296 M297 M300 C319 I320 Y333 Q334 T340 M341C293-M337 HydrophobicContact CB-CE 4.43Å; C293-M337 WeakPolarHBondContact O-CE 3.23Å; M296-M337 HydrophobicContact CB-CE 4.05Å; M297-M337 HydrophobicContact CB-CE 4.35Å; M297-M337 HydrophobicContact CG-CE 3.28Å; M297-M337 HydrophobicContact SD-CE 4.44Å; M300-M337 HydrophobicContact SD-SD 4.34Å; C319-M337 HydrophobicContact CB-CE 4.19Å; C319-M337 HydrophobicContact CB-CG 4.34Å; C319-M337 HydrophobicContact CB-SD 3.98Å; I320-M337 HydrophobicContact CD1-CB 4.15Å; I320-M337 HydrophobicContact CG1-CB 3.8Å; Y333-M337 WeakPolarHBondContact O-CG 3.3Å; Y333-M337 PolarHBondContact O-N 3.32Å; Y333-M337 VanDerWaalsContact O-N 3.09Å; Q334-M337 PolarHBondContact O-N 3.04Å; M337-T340 PolarHBondContact O-N 3.38Å; M337-M341 VanDerWaalsContact O-CB 3.24Å; M337-M341 WeakPolarHBondContact O-CB 3.42Å; M337-M341 PolarHBondContact O-N 2.72Å
338W98.2Very high97.1Very high4 Ų430.1 Ų30.12%0.01514%0.139CC..Hα-helixtrans-63.8-40.6176.3-67.4-25.8000112.9E324 E329 Q334 L335 S342 F357 K360 M361E324-W338 HydrophobicContact CG-CZ2 4.1Å; E324-W338 WeakPolarHBondContact OE1-CZ2 3.23Å; E329-W338 HydrophobicContact CB-CH2 4.14Å; E329-W338 HydrophobicContact CB-CZ3 4.26Å; E329-W338 HydrophobicContact CG-CH2 4.26Å; Q334-W338 HydrophobicContact CG-CD2 4.07Å; Q334-W338 HydrophobicContact CG-CE3 4.2Å; Q334-W338 HydrophobicContact CG-CH2 3.68Å; Q334-W338 HydrophobicContact CG-CZ2 3.51Å; Q334-W338 HydrophobicContact CG-CZ3 4.02Å; Q334-W338 PolarHBondContact O-N 3.37Å; L335-W338 HydrophobicContact CD2-CE3 3.95Å; L335-W338 HydrophobicContact CD2-CZ3 4.15Å; L335-W338 PolarHBondContact O-N 2.66Å; W338-S342 VanDerWaalsContact O-CB 3.31Å; W338-S342 WeakPolarHBondContact O-CB 3.18Å; W338-S342 PolarHBondContact O-N 2.92Å; W338-F357 HydrophobicContact CB-CB 4.48Å; W338-F357 HydrophobicContact CB-CD1 4.45Å; W338-F357 AromaticContact CD1-CD1 3.37Å; W338-F357 AromaticContact CD1-CE1 3.78Å; W338-F357 HydrophobicContact CG-CD1 4.09Å; W338-F357 AromaticContact NE1-CD1 3.97Å; W338-K360 HydrophobicContact CD2-CB 3.81Å; W338-K360 HydrophobicContact CD2-CD 4.3Å; W338-K360 HydrophobicContact CE3-CB 3.68Å; W338-K360 HydrophobicContact CG-CB 4.38Å; W338-K360 HydrophobicContact CH2-CB 4.24Å; W338-K360 HydrophobicContact CH2-CD 4.48Å; W338-K360 HydrophobicContact CZ2-CB 4.35Å; W338-K360 HydrophobicContact CZ2-CD 3.92Å; W338-K360 HydrophobicContact CZ3-CB 3.92Å; W338-M361 HydrophobicContact CB-CB 4.22Å
339S97.1Very high97.1Very high6 Ų636.6 Ų36.64%0.04217%0.167CC..Hα-helixtrans-58.7-52.1175-170.60000110.9L335 M341 S342 E343 M361L335-S339 WeakPolarHBondContact O-CB 3.48Å; L335-S339 PolarHBondContact O-N 3.01Å; S339-M341 PolarHBondContact O-N 3.04Å; S339-S342 PolarHBondContact O-N 2.85Å; S339-E343 WeakPolarHBondContact O-CG 3.48Å; S339-E343 PolarHBondContact O-N 3.17Å; S339-E343 PolarHBondContact OG-OE1 2.8Å; S339-M361 VanDerWaalsContact CA-SD 3.58Å; S339-M361 WeakPolarHBondContact CB-SD 3.47Å; S339-M361 PolarHBondContact OG-SD 2.93Å; S339-M361 VanDerWaalsContact OG-SD 3.41Å
340T96.4Very high97.2Very high1 Ų138.5 Ų38.51%0.00617%0.171CC..Hα-helixtrans-65.2-43-178.3-52.70000111.7M300 V312 R336 M337 S342 E343 V344M300-T340 HydrophobicContact CE-CG2 4.18Å; M300-T340 HydrophobicContact CG-CG2 4.42Å; M300-T340 HydrophobicContact SD-CG2 3.54Å; M300-T340 VanDerWaalsContact SD-CG2 3.54Å; V312-T340 HydrophobicContact CG1-CG2 3.86Å; R336-T340 PolarHBondContact O-N 3.15Å; R336-T340 PolarHBondContact O-OG1 3.32Å; M337-T340 PolarHBondContact O-N 3.38Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-S342 PolarHBondContact O-N 3.02Å; T340-E343 PolarHBondContact O-N 2.75Å; T340-V344 HydrophobicContact CG2-CG2 4.19Å; T340-V344 WeakPolarHBondContact O-CG2 3.5Å; T340-V344 PolarHBondContact O-N 3.19Å
341M97.6Very high97.2Very high1 Ų140.4 Ų40.41%0.00518%0.178CC..Hα-helixtrans-58.9-46.4176.5-175.462.8109.400111.3V313 C316 R317 I320 M337 S339 V344 Q345 F357V313-M341 HydrophobicContact CB-SD 4.43Å; V313-M341 HydrophobicContact CG1-CE 4.29Å; V313-M341 HydrophobicContact CG1-SD 4.02Å; V313-M341 HydrophobicContact CG2-SD 4.35Å; C316-M341 HydrophobicContact CB-CB 4.16Å; C316-M341 HydrophobicContact CB-CE 3.76Å; C316-M341 HydrophobicContact CB-SD 3.95Å; R317-M341 HydrophobicContact CB-CE 3.73Å; R317-M341 HydrophobicContact CG-CE 4.49Å; I320-M341 HydrophobicContact CD1-CB 4.15Å; I320-M341 HydrophobicContact CD1-CE 4.29Å; I320-M341 HydrophobicContact CD1-CG 4.34Å; M337-M341 VanDerWaalsContact O-CB 3.24Å; M337-M341 WeakPolarHBondContact O-CB 3.42Å; M337-M341 PolarHBondContact O-N 2.72Å; S339-M341 PolarHBondContact O-N 3.04Å; M341-V344 PolarHBondContact O-N 3.28Å; M341-Q345 HydrophobicContact CG-CG 4.21Å; M341-Q345 VanDerWaalsContact O-CB 3.22Å; M341-Q345 WeakPolarHBondContact O-CB 3.48Å; M341-Q345 WeakPolarHBondContact O-CG 3.33Å; M341-Q345 PolarHBondContact O-N 2.96Å; M341-Q345 HydrophobicContact SD-CG 3.78Å; M341-F357 HydrophobicContact CB-CD2 4.1Å; M341-F357 HydrophobicContact CB-CE2 4.49Å; M341-F357 HydrophobicContact CB-CG 4.18Å; M341-F357 HydrophobicContact CE-CE2 4.18Å; M341-F357 HydrophobicContact CE-CZ 4.36Å; M341-F357 HydrophobicContact CG-CD1 4.39Å; M341-F357 HydrophobicContact CG-CD2 3.24Å; M341-F357 HydrophobicContact CG-CE1 4.48Å; M341-F357 HydrophobicContact CG-CE2 3.35Å; M341-F357 HydrophobicContact CG-CG 3.8Å; M341-F357 HydrophobicContact CG-CZ 4Å; M341-F357 HydrophobicContact SD-CE2 4.37Å
342S98.1Very high97.1Very high10 Ų1047.6 Ų47.67%0.0721%0.212CC..Hα-helixtrans-61.5-46.6177.4-174.30000112.3W338 S339 T340 V344 A346 A354 A358W338-S342 VanDerWaalsContact O-CB 3.31Å; W338-S342 WeakPolarHBondContact O-CB 3.18Å; W338-S342 PolarHBondContact O-N 2.92Å; S339-S342 PolarHBondContact O-N 2.85Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-S342 PolarHBondContact O-N 3.02Å; S342-V344 PolarHBondContact O-N 3.1Å; S342-A346 VanDerWaalsContact O-CB 3.23Å; S342-A346 WeakPolarHBondContact O-CB 3.37Å; S342-A346 PolarHBondContact O-N 2.87Å; S342-A354 PolarHBondContact OG-O 2.98Å; S342-A358 WeakPolarHBondContact OG-CB 3.43Å
343E95.7Very high97.1Very high68 Ų6849.5 Ų49.532%0.31822%0.22SC..Hα-helixtrans-58.3-48.8178.5-75.7169.7-151.200112.1R304 S339 T340 Y347R304-E343 IonicContact CZ-OE2 3.89Å; R304-E343 IonicContact NH1-OE2 2.64Å; R304-E343 IonicContact NH2-OE2 3.47Å; R304-E343 PolarHBondContact NH2-OE2 3.13Å; S339-E343 WeakPolarHBondContact O-CG 3.48Å; S339-E343 PolarHBondContact O-N 3.17Å; S339-E343 PolarHBondContact OG-OE1 2.8Å; T340-E343 PolarHBondContact O-N 2.75Å; E343-Y347 WeakPolarHBondContact O-CB 3.38Å; E343-Y347 PolarHBondContact O-N 2.98Å
344V96.8Very high97.1Very high5 Ų546.5 Ų46.53%0.0321%0.208CC..Hα-helixtrans-74.7-39.6-174.3179.90000111.4Y309 V312 V313 T340 M341 S342 A346 Y347 L348Y309-V344 HydrophobicContact CD1-CG1 4.24Å; Y309-V344 HydrophobicContact CG-CG1 4.41Å; Y309-V344 WeakPolarHBondContact O-CG1 3.28Å; V312-V344 HydrophobicContact CG1-CB 4.5Å; V312-V344 HydrophobicContact CG1-CG2 3.8Å; V313-V344 HydrophobicContact CG2-CB 4.26Å; V313-V344 HydrophobicContact CG2-CG1 3.62Å; T340-V344 HydrophobicContact CG2-CG2 4.19Å; T340-V344 WeakPolarHBondContact O-CG2 3.5Å; T340-V344 PolarHBondContact O-N 3.19Å; M341-V344 PolarHBondContact O-N 3.28Å; S342-V344 PolarHBondContact O-N 3.1Å; V344-A346 VanDerWaalsContact C-N 3.35Å; V344-Y347 WeakPolarHBondContact O-CB 3.46Å; V344-Y347 PolarHBondContact O-N 3.09Å; V344-L348 HydrophobicContact CG1-CD1 4.16Å; V344-L348 HydrophobicContact CG1-CG 4.48Å; V344-L348 WeakPolarHBondContact O-CG 3.4Å; V344-L348 PolarHBondContact O-N 3.29Å
345Q97.9Very high97.2Very high4 Ų446.5 Ų46.52%0.01921%0.208CC..Hα-helixtrans-65.3-39.3175.7-69.5-76.325.300111.7V313 M341 Y347 L348 Q349 Y350 E353 A354V313-Q345 HydrophobicContact CG2-CG 4.33Å; M341-Q345 HydrophobicContact CG-CG 4.21Å; M341-Q345 VanDerWaalsContact O-CB 3.22Å; M341-Q345 WeakPolarHBondContact O-CB 3.48Å; M341-Q345 WeakPolarHBondContact O-CG 3.33Å; M341-Q345 PolarHBondContact O-N 2.96Å; M341-Q345 HydrophobicContact SD-CG 3.78Å; Q345-Y347 VanDerWaalsContact C-N 3.35Å; Q345-L348 CarbonylContact O-C 3.35Å; Q345-L348 PolarHBondContact O-N 3.19Å; Q345-Q349 PolarHBondContact O-N 3.4Å; Q345-Y350 PolarHBondContact O-N 2.75Å; Q345-E353 PolarHBondContact NE2-OE1 3.06Å; Q345-E353 PolarHBondContact NE2-OE2 3Å; Q345-A354 HydrophobicContact CB-CB 3.74Å
346A97Very high97.2Very high22 Ų2249.7 Ų49.718%0.18223%0.225CC..Hα-helixtrans-63.6-40.4173.100000111.8S342 V344 L348 Q349 F351 A354 T386S342-A346 VanDerWaalsContact O-CB 3.23Å; S342-A346 WeakPolarHBondContact O-CB 3.37Å; S342-A346 PolarHBondContact O-N 2.87Å; V344-A346 VanDerWaalsContact C-N 3.35Å; A346-L348 VanDerWaalsContact C-N 3.31Å; A346-L348 PolarHBondContact O-N 3.38Å; A346-Q349 PolarHBondContact O-N 3.03Å; A346-Q349 VanDerWaalsContact O-N 3.08Å; A346-F351 HydrophobicContact CB-CD1 4.49Å; A346-F351 HydrophobicContact CB-CE1 4.43Å; A346-A354 HydrophobicContact CB-CB 4.02Å; A346-T386 HydrophobicContact CB-CG2 4.46Å
347Y95.4Very high97.3Very high150 Ų15045.2 Ų45.259%0.58821%0.209SC*.Hα-helixtrans-60.6-39.8173.7173.2-97.4000112.3Y309 E343 V344 Q345 Q349Y309-Y347 HydrophobicContact CD2-CD1 4.06Å; Y309-Y347 AromaticContact CD2-CE1 3.47Å; Y309-Y347 HydrophobicContact CD2-CE1 3.47Å; Y309-Y347 VanDerWaalsContact CD2-CE1 3.47Å; Y309-Y347 HydrophobicContact CE2-CD1 4.34Å; Y309-Y347 AromaticContact CE2-CE1 3.58Å; Y309-Y347 HydrophobicContact CE2-CE1 3.58Å; Y309-Y347 AromaticContact CE2-CZ 3.91Å; Y309-Y347 HydrophobicContact CG-CD1 4.22Å; Y309-Y347 HydrophobicContact CG-CE1 4.1Å; E343-Y347 WeakPolarHBondContact O-CB 3.38Å; E343-Y347 PolarHBondContact O-N 2.98Å; V344-Y347 WeakPolarHBondContact O-CB 3.46Å; V344-Y347 PolarHBondContact O-N 3.09Å; Q345-Y347 VanDerWaalsContact C-N 3.35Å; Y347-Q349 PolarHBondContact O-N 3.09Å
348L96.3Very high97.4Very high39 Ų3945.2 Ų45.220%0.20421%0.209CC..THydrogen-bonded Turntrans-79.94.4175.5-64.7176.2000113.8V313 V344 Q345 A346 Y350V313-L348 HydrophobicContact CG2-CD1 4.07Å; V344-L348 HydrophobicContact CG1-CD1 4.16Å; V344-L348 HydrophobicContact CG1-CG 4.48Å; V344-L348 WeakPolarHBondContact O-CG 3.4Å; V344-L348 PolarHBondContact O-N 3.29Å; Q345-L348 CarbonylContact O-C 3.35Å; Q345-L348 PolarHBondContact O-N 3.19Å; A346-L348 VanDerWaalsContact C-N 3.31Å; A346-L348 PolarHBondContact O-N 3.38Å; L348-Y350 VanDerWaalsContact C-N 3.27Å; L348-Y350 HydrophobicContact CB-CD2 3.57Å; L348-Y350 HydrophobicContact CB-CE2 3.82Å; L348-Y350 HydrophobicContact CD1-CE2 4.47Å; L348-Y350 PolarHBondContact O-N 2.83Å
349Q96.8Very high97.4Very high150 Ų15050.5 Ų50.570%0.70123%0.229SC*.THydrogen-bonded Turntrans65.419.3179.7-51.4-178.610.200115.4Q345 A346 Y347 F351Q345-Q349 PolarHBondContact O-N 3.4Å; A346-Q349 PolarHBondContact O-N 3.03Å; A346-Q349 VanDerWaalsContact O-N 3.08Å; Y347-Q349 PolarHBondContact O-N 3.09Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 HydrophobicContact CB-CE2 3.94Å; Q349-F351 HydrophobicContact CB-CZ 4.27Å; Q349-F351 HydrophobicContact CG-CE2 4.37Å; Q349-F351 HydrophobicContact CG-CZ 4.34Å; Q349-F351 WeakPolarHBondContact O-CD2 3.3Å; Q349-F351 PolarHBondContact O-N 2.87Å; Q349-F351 VanDerWaalsContact O-N 3.12Å
350Y97.8Very high97.4Very high134 Ų13453.5 Ų53.553%0.52524%0.241SC..  trans-86.166.5170-63.3-72.6000110.3Q345 L348 E352 A354Q345-Y350 PolarHBondContact O-N 2.75Å; L348-Y350 VanDerWaalsContact C-N 3.27Å; L348-Y350 HydrophobicContact CB-CD2 3.57Å; L348-Y350 HydrophobicContact CB-CE2 3.82Å; L348-Y350 HydrophobicContact CD1-CE2 4.47Å; L348-Y350 PolarHBondContact O-N 2.83Å; Y350-E352 PolarHBondContact O-N 2.79Å; Y350-A354 VanDerWaalsContact O-CB 3.31Å; Y350-A354 WeakPolarHBondContact O-CB 3.45Å; Y350-A354 PolarHBondContact O-N 2.93Å
351F97.8Very high97.5Very high53 Ų5353.8 Ų53.823%0.23224%0.243CC..Hα-helixtrans-65-33.3-169-64.7-65.1000114.6A346 Q349 A354 A355 Q389 A390A346-F351 HydrophobicContact CB-CD1 4.49Å; A346-F351 HydrophobicContact CB-CE1 4.43Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 HydrophobicContact CB-CE2 3.94Å; Q349-F351 HydrophobicContact CB-CZ 4.27Å; Q349-F351 HydrophobicContact CG-CE2 4.37Å; Q349-F351 HydrophobicContact CG-CZ 4.34Å; Q349-F351 WeakPolarHBondContact O-CD2 3.3Å; Q349-F351 PolarHBondContact O-N 2.87Å; Q349-F351 VanDerWaalsContact O-N 3.12Å; F351-A354 PolarHBondContact O-N 3.41Å; F351-A355 VanDerWaalsContact O-CB 3.22Å; F351-A355 WeakPolarHBondContact O-CB 3.49Å; F351-A355 PolarHBondContact O-N 2.74Å; F351-Q389 HydrophobicContact CB-CB 4.24Å; F351-Q389 HydrophobicContact CD1-CB 3.59Å; F351-Q389 HydrophobicContact CD1-CG 4.36Å; F351-Q389 HydrophobicContact CD2-CB 3.93Å; F351-Q389 HydrophobicContact CE1-CB 3.83Å; F351-Q389 HydrophobicContact CE1-CG 4.14Å; F351-Q389 HydrophobicContact CE2-CB 4.14Å; F351-Q389 HydrophobicContact CG-CB 3.65Å; F351-Q389 HydrophobicContact CZ-CB 4.09Å; F351-Q389 HydrophobicContact CZ-CG 4.34Å; F351-A390 HydrophobicContact CB-CB 3.9Å
352E97.1Very high97.5Very high152 Ų15253.8 Ų53.871%0.7124%0.243SC*.Hα-helixtrans-63.1-52179.3-171.1175.6-176.400111.4Y350 A354 A355 D356Y350-E352 PolarHBondContact O-N 2.79Å; E352-A354 PolarHBondContact O-N 3.01Å; E352-A355 PolarHBondContact O-N 3.03Å; E352-D356 PolarHBondContact O-N 3.46Å
353E97.3Very high97.5Very high59 Ų5956.9 Ų56.928%0.27626%0.256SS..Hα-helixtrans-64.8-40.5175.8-172.3176.1-176.100111.2R317 Q345 A355 D356 F357R317-E353 IonicContact CZ-OE1 3.99Å; R317-E353 IonicContact NE-OE1 3.57Å; R317-E353 IonicContact NH2-OE1 3.96Å; R317-E353 PolarHBondContact NH2-OE1 3.24Å; R317-E353 IonicContact NH2-OE2 3.48Å; R317-E353 PolarHBondContact NH2-OE2 2.92Å; Q345-E353 PolarHBondContact NE2-OE1 3.06Å; Q345-E353 PolarHBondContact NE2-OE2 3Å; E353-A355 VanDerWaalsContact C-N 3.29Å; E353-A355 PolarHBondContact O-N 3.42Å; E353-D356 PolarHBondContact O-N 3.35Å; E353-F357 HydrophobicContact CG-CD2 4.08Å; E353-F357 HydrophobicContact CG-CE2 3.68Å; E353-F357 VanDerWaalsContact O-CD2 3.24Å; E353-F357 WeakPolarHBondContact O-CD2 3.28Å; E353-F357 PolarHBondContact O-N 3.17Å
354A98.4Very high97.7Very high0 Ų053.7 Ų53.70%024%0.241CC..Hα-helixtrans-61.2-37.4176.900000112.7S342 Q345 A346 Y350 F351 E352 A358 T386S342-A354 PolarHBondContact OG-O 2.98Å; Q345-A354 HydrophobicContact CB-CB 3.74Å; A346-A354 HydrophobicContact CB-CB 4.02Å; Y350-A354 VanDerWaalsContact O-CB 3.31Å; Y350-A354 WeakPolarHBondContact O-CB 3.45Å; Y350-A354 PolarHBondContact O-N 2.93Å; F351-A354 PolarHBondContact O-N 3.41Å; E352-A354 PolarHBondContact O-N 3.01Å; A354-A358 VanDerWaalsContact O-CB 3.3Å; A354-A358 WeakPolarHBondContact O-CB 3.5Å; A354-A358 PolarHBondContact O-N 2.86Å; A354-T386 HydrophobicContact CB-CG2 3.51Å
355A98.4Very high97.7Very high0 Ų054.4 Ų54.40%024%0.243CC..Hα-helixtrans-66.3-41.7179.700000111.3F351 E352 E353 F357 A358 R359 T386 H387 A390 L392F351-A355 VanDerWaalsContact O-CB 3.22Å; F351-A355 WeakPolarHBondContact O-CB 3.49Å; F351-A355 PolarHBondContact O-N 2.74Å; E352-A355 PolarHBondContact O-N 3.03Å; E353-A355 VanDerWaalsContact C-N 3.29Å; E353-A355 PolarHBondContact O-N 3.42Å; A355-F357 PolarHBondContact O-N 3.23Å; A355-A358 WeakPolarHBondContact O-CB 3.38Å; A355-A358 PolarHBondContact O-N 2.84Å; A355-R359 WeakPolarHBondContact O-CB 3.34Å; A355-R359 PolarHBondContact O-N 3.49Å; A355-T386 HydrophobicContact CB-CG2 4.18Å; A355-H387 PolarHBondContact O-CE1 3.09Å; A355-H387 PolarHBondContact O-NE2 3.45Å; A355-A390 HydrophobicContact CB-CB 4.16Å; A355-L392 HydrophobicContact CB-CD1 4.07Å
356D98Very high97.7Very high69 Ų6957.1 Ų57.137%0.36926%0.255SS..Hα-helixtrans-60.1-47.1177.2-88.2-31.4000112.6E352 E353 R359 K360E352-D356 PolarHBondContact O-N 3.46Å; E353-D356 PolarHBondContact O-N 3.35Å; D356-R359 PolarHBondContact O-N 3.45Å; D356-R359 IonicContact OD1-CZ 2.82Å; D356-R359 IonicContact OD1-NE 2.64Å; D356-R359 IonicContact OD1-NH2 2.82Å; D356-R359 PolarHBondContact OD1-NH2 2.97Å; D356-K360 WeakPolarHBondContact O-CG 3.17Å; D356-K360 PolarHBondContact O-N 3.21Å; D356-K360 VanDerWaalsContact O-N 3.13Å
357F98.4Very high97.8Very high22 Ų2260.8 Ų60.810%0.09627%0.267CS..Hα-helixtrans-68.6-36.6176.3-68.4-60.9000112.6I320 W338 M341 E353 A355 R359 K360 M361I320-F357 HydrophobicContact CD1-CD1 4.34Å; I320-F357 HydrophobicContact CD1-CE1 3.84Å; I320-F357 HydrophobicContact CD1-CZ 4.22Å; I320-F357 HydrophobicContact CG2-CE1 4.15Å; W338-F357 HydrophobicContact CB-CB 4.48Å; W338-F357 HydrophobicContact CB-CD1 4.45Å; W338-F357 AromaticContact CD1-CD1 3.37Å; W338-F357 AromaticContact CD1-CE1 3.78Å; W338-F357 HydrophobicContact CG-CD1 4.09Å; W338-F357 AromaticContact NE1-CD1 3.97Å; M341-F357 HydrophobicContact CB-CD2 4.1Å; M341-F357 HydrophobicContact CB-CE2 4.49Å; M341-F357 HydrophobicContact CB-CG 4.18Å; M341-F357 HydrophobicContact CE-CE2 4.18Å; M341-F357 HydrophobicContact CE-CZ 4.36Å; M341-F357 HydrophobicContact CG-CD1 4.39Å; M341-F357 HydrophobicContact CG-CD2 3.24Å; M341-F357 HydrophobicContact CG-CE1 4.48Å; M341-F357 HydrophobicContact CG-CE2 3.35Å; M341-F357 HydrophobicContact CG-CG 3.8Å; M341-F357 HydrophobicContact CG-CZ 4Å; M341-F357 HydrophobicContact SD-CE2 4.37Å; E353-F357 HydrophobicContact CG-CD2 4.08Å; E353-F357 HydrophobicContact CG-CE2 3.68Å; E353-F357 VanDerWaalsContact O-CD2 3.24Å; E353-F357 WeakPolarHBondContact O-CD2 3.28Å; E353-F357 PolarHBondContact O-N 3.17Å; A355-F357 PolarHBondContact O-N 3.23Å; F357-R359 VanDerWaalsContact C-N 3.29Å; F357-R359 PolarHBondContact O-N 3.47Å; F357-K360 HydrophobicContact CD1-CD 4.5Å; F357-K360 PolarHBondContact O-N 2.92Å; F357-M361 WeakPolarHBondContact O-CB 3.48Å; F357-M361 PolarHBondContact O-N 3.45Å
358A98.4Very high97.9Very high0 Ų053.7 Ų53.70%024%0.239CC..Hα-helixtrans-59-42.8174.200000111.6S342 A354 A355 V362 A383S342-A358 WeakPolarHBondContact OG-CB 3.43Å; A354-A358 VanDerWaalsContact O-CB 3.3Å; A354-A358 WeakPolarHBondContact O-CB 3.5Å; A354-A358 PolarHBondContact O-N 2.86Å; A355-A358 WeakPolarHBondContact O-CB 3.38Å; A355-A358 PolarHBondContact O-N 2.84Å; A358-V362 WeakPolarHBondContact O-CB 3.42Å; A358-V362 WeakPolarHBondContact O-CG2 3.35Å; A358-V362 PolarHBondContact O-N 3.36Å; A358-A383 HydrophobicContact CB-CB 3.72Å
359R98.4Very high98Very high116 Ų11652.3 Ų52.344%0.43823%0.231SC..Hα-helixtrans-63.1-51.4178.1-179.8175.656.3151.2-6.9111.2A355 D356 F357 M361 V362 E363 M399A355-R359 WeakPolarHBondContact O-CB 3.34Å; A355-R359 PolarHBondContact O-N 3.49Å; D356-R359 PolarHBondContact O-N 3.45Å; D356-R359 IonicContact OD1-CZ 2.82Å; D356-R359 IonicContact OD1-NE 2.64Å; D356-R359 IonicContact OD1-NH2 2.82Å; D356-R359 PolarHBondContact OD1-NH2 2.97Å; F357-R359 VanDerWaalsContact C-N 3.29Å; F357-R359 PolarHBondContact O-N 3.47Å; R359-M361 VanDerWaalsContact C-N 3.32Å; R359-M361 PolarHBondContact O-N 3.49Å; R359-V362 PolarHBondContact O-N 3.23Å; R359-E363 WeakPolarHBondContact O-CG 3.49Å; R359-E363 PolarHBondContact O-N 3.08Å; R359-M399 HydrophobicContact CB-CE 4.11Å; R359-M399 HydrophobicContact CG-CE 4.1Å
360K98.1Very high98Very high68 Ų6846.8 Ų46.830%0.29621%0.205SC..Hα-helixtrans-55.9-47.2177.8-68.7179.3-177.7-177.80111.4E324 W338 D356 F357 E363 G364E324-K360 WeakPolarHBondContact OE1-CE 3.27Å; E324-K360 IonicContact OE1-NZ 3.77Å; E324-K360 PolarHBondContact OE1-NZ 3.49Å; E324-K360 IonicContact OE2-NZ 3.99Å; E324-K360 PolarHBondContact OE2-NZ 2.98Å; W338-K360 HydrophobicContact CD2-CB 3.81Å; W338-K360 HydrophobicContact CD2-CD 4.3Å; W338-K360 HydrophobicContact CE3-CB 3.68Å; W338-K360 HydrophobicContact CG-CB 4.38Å; W338-K360 HydrophobicContact CH2-CB 4.24Å; W338-K360 HydrophobicContact CH2-CD 4.48Å; W338-K360 HydrophobicContact CZ2-CB 4.35Å; W338-K360 HydrophobicContact CZ2-CD 3.92Å; W338-K360 HydrophobicContact CZ3-CB 3.92Å; D356-K360 WeakPolarHBondContact O-CG 3.17Å; D356-K360 PolarHBondContact O-N 3.21Å; D356-K360 VanDerWaalsContact O-N 3.13Å; F357-K360 HydrophobicContact CD1-CD 4.5Å; F357-K360 PolarHBondContact O-N 2.92Å; K360-E363 PolarHBondContact O-N 3.41Å; K360-G364 PolarHBondContact O-N 3.1Å; K360-G364 VanDerWaalsContact O-N 3.13Å
361M98.2Very high97.9Very high7 Ų744.5 Ų44.53%0.03421%0.207CC..Hα-helixtrans-58.1-51.6176.6178.5-159.26500112.1W338 S339 F357 R359 E363 G364 Y365 A379W338-M361 HydrophobicContact CB-CB 4.22Å; S339-M361 VanDerWaalsContact CA-SD 3.58Å; S339-M361 WeakPolarHBondContact CB-SD 3.47Å; S339-M361 PolarHBondContact OG-SD 2.93Å; S339-M361 VanDerWaalsContact OG-SD 3.41Å; F357-M361 WeakPolarHBondContact O-CB 3.48Å; F357-M361 PolarHBondContact O-N 3.45Å; R359-M361 VanDerWaalsContact C-N 3.32Å; R359-M361 PolarHBondContact O-N 3.49Å; M361-E363 VanDerWaalsContact C-N 3.33Å; M361-E363 PolarHBondContact O-N 3.04Å; M361-G364 PolarHBondContact O-N 3.38Å; M361-Y365 HydrophobicContact CE-CE2 4.43Å; M361-Y365 HydrophobicContact CG-CD1 4.46Å; M361-Y365 HydrophobicContact CG-CD2 4.14Å; M361-Y365 HydrophobicContact CG-CE1 4.12Å; M361-Y365 HydrophobicContact CG-CE2 3.76Å; M361-Y365 HydrophobicContact CG-CG 4.46Å; M361-Y365 PolarHBondContact O-N 2.89Å; M361-Y365 HydrophobicContact SD-CE2 3.81Å; M361-A379 HydrophobicContact CE-CB 4.05Å
362V98.3Very high97.9Very high1 Ų143.8 Ų43.81%0.00621%0.206CC..Hα-helixtrans-64.1-37-177.8166.20000112A358 R359 Y365 K366 A379 A383A358-V362 WeakPolarHBondContact O-CB 3.42Å; A358-V362 WeakPolarHBondContact O-CG2 3.35Å; A358-V362 PolarHBondContact O-N 3.36Å; R359-V362 PolarHBondContact O-N 3.23Å; V362-Y365 PolarHBondContact O-N 3.27Å; V362-K366 HydrophobicContact CG1-CD 4.25Å; V362-K366 HydrophobicContact CG1-CG 4.45Å; V362-K366 VanDerWaalsContact O-CG 3.26Å; V362-K366 WeakPolarHBondContact O-CG 3.36Å; V362-K366 PolarHBondContact O-N 3.5Å; V362-A379 HydrophobicContact CG2-CB 4.47Å; V362-A383 HydrophobicContact CG2-CB 3.57Å
363E98.1Very high97.9Very high76 Ų7638.1 Ų38.136%0.35518%0.18SC..Hα-helixtrans-65.7-39.2175.9-69-49.913200112.6R359 K360 M361 K366 K367R359-E363 WeakPolarHBondContact O-CG 3.49Å; R359-E363 PolarHBondContact O-N 3.08Å; K360-E363 PolarHBondContact O-N 3.41Å; M361-E363 VanDerWaalsContact C-N 3.33Å; M361-E363 PolarHBondContact O-N 3.04Å; E363-K366 IonicContact OE1-NZ 3.77Å; E363-K366 PolarHBondContact OE1-NZ 3.44Å; E363-K366 IonicContact OE2-NZ 2.83Å; E363-K367 WeakPolarHBondContact O-CG 3.42Å
364G98Very high97.8Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-66.6-44172.100000112.5K360 M361 K366 K367 L368K360-G364 PolarHBondContact O-N 3.1Å; K360-G364 VanDerWaalsContact O-N 3.13Å; M361-G364 PolarHBondContact O-N 3.38Å; G364-K366 VanDerWaalsContact C-N 3.3Å; G364-K366 PolarHBondContact O-N 2.93Å; G364-K367 WeakPolarHBondContact O-CB 3.29Å; G364-K367 PolarHBondContact O-N 3.31Å; G364-L368 PolarHBondContact O-N 3.22Å
365Y98.4Very high97.6Very high20 Ų2038.4 Ų38.48%0.07819%0.193CC..Hα-helixtrans-59.4-37.7176.5-76.93.9000113L238 L335 M361 V362 K367 L368 Y369 A379L238-Y365 HydrophobicContact CD1-CD1 4.3Å; L238-Y365 HydrophobicContact CD1-CE1 3.6Å; L238-Y365 HydrophobicContact CD2-CD1 4.16Å; L238-Y365 HydrophobicContact CD2-CE1 4.15Å; L335-Y365 HydrophobicContact CB-CE1 3.95Å; L335-Y365 HydrophobicContact CD1-CD1 3.99Å; L335-Y365 HydrophobicContact CD1-CE1 4.06Å; L335-Y365 HydrophobicContact CD2-CD1 4.08Å; L335-Y365 HydrophobicContact CD2-CE1 4.19Å; L335-Y365 HydrophobicContact CG-CD1 4.47Å; L335-Y365 HydrophobicContact CG-CE1 4.31Å; M361-Y365 HydrophobicContact CE-CE2 4.43Å; M361-Y365 HydrophobicContact CG-CD1 4.46Å; M361-Y365 HydrophobicContact CG-CD2 4.14Å; M361-Y365 HydrophobicContact CG-CE1 4.12Å; M361-Y365 HydrophobicContact CG-CE2 3.76Å; M361-Y365 HydrophobicContact CG-CG 4.46Å; M361-Y365 PolarHBondContact O-N 2.89Å; M361-Y365 HydrophobicContact SD-CE2 3.81Å; V362-Y365 PolarHBondContact O-N 3.27Å; Y365-K367 PolarHBondContact O-N 3.04Å; Y365-L368 PolarHBondContact O-N 2.99Å; Y365-L368 VanDerWaalsContact O-N 3.14Å; Y365-Y369 HydrophobicContact CD1-CE2 4.33Å; Y365-Y369 HydrophobicContact CD2-CD2 4.44Å; Y365-Y369 HydrophobicContact CD2-CE2 4.09Å; Y365-Y369 HydrophobicContact CE2-CE2 4.47Å; Y365-Y369 HydrophobicContact CG-CD2 4.12Å; Y365-Y369 HydrophobicContact CG-CE2 4.04Å; Y365-Y369 PolarHBondContact O-N 3.49Å; Y365-A379 HydrophobicContact CD2-CB 3.83Å; Y365-A379 HydrophobicContact CE2-CB 4.05Å
366K98Very high97.5Very high61 Ų6138.6 Ų38.627%0.26519%0.194SC..Hα-helixtrans-62.3-27.4175.3-76.6169.1-175.4170.80113.5V362 E363 G364 L376V362-K366 HydrophobicContact CG1-CD 4.25Å; V362-K366 HydrophobicContact CG1-CG 4.45Å; V362-K366 VanDerWaalsContact O-CG 3.26Å; V362-K366 WeakPolarHBondContact O-CG 3.36Å; V362-K366 PolarHBondContact O-N 3.5Å; E363-K366 IonicContact OE1-NZ 3.77Å; E363-K366 PolarHBondContact OE1-NZ 3.44Å; E363-K366 IonicContact OE2-NZ 2.83Å; G364-K366 VanDerWaalsContact C-N 3.3Å; G364-K366 PolarHBondContact O-N 2.93Å; K366-L376 HydrophobicContact CG-CD1 4.06Å
367K97.8Very high97.5Very high100 Ų10035.3 Ų35.344%0.43518%0.176SC..Hα-helixtrans-82.5-20.1177.6-63.6168.5-175.1173.60112.1E329 T330 E363 G364 Y365E329-K367 IonicContact OE2-NZ 2.72Å; E329-K367 PolarHBondContact OE2-NZ 3.2Å; T330-K367 HydrophobicContact CG2-CB 3.69Å; T330-K367 HydrophobicContact CG2-CD 3.5Å; T330-K367 HydrophobicContact CG2-CG 4.24Å; E363-K367 WeakPolarHBondContact O-CG 3.42Å; G364-K367 WeakPolarHBondContact O-CB 3.29Å; G364-K367 PolarHBondContact O-N 3.31Å; Y365-K367 PolarHBondContact O-N 3.04Å
368L97.7Very high97.4Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-104.5-49.3-173.9-64.5179.9000113.5Y237 L238 H266 I269 K270 T330 L335 G364 Y365Y237-L368 WeakPolarHBondContact CE1-O 3.12Å; L238-L368 HydrophobicContact CD2-CB 4.13Å; L238-L368 HydrophobicContact CD2-CD1 3.56Å; H266-L368 HydrophobicContact CB-CD2 4.43Å; H266-L368 PolarHBondContact ND1-O 3.48Å; I269-L368 HydrophobicContact CD1-CD2 3.67Å; I269-L368 HydrophobicContact CG1-CD2 3.84Å; K270-L368 HydrophobicContact CG-CD1 4.36Å; K270-L368 HydrophobicContact CG-CD2 3.85Å; T330-L368 HydrophobicContact CG2-CD2 4.36Å; T330-L368 HydrophobicContact CG2-CG 4.4Å; L335-L368 HydrophobicContact CD1-CD1 3.56Å; G364-L368 PolarHBondContact O-N 3.22Å; Y365-L368 PolarHBondContact O-N 2.99Å; Y365-L368 VanDerWaalsContact O-N 3.14Å
369Y97.8Very high97.2Very high10 Ų1035 Ų354%0.03918%0.175CC..SBendtrans-79.9156.5-173.7-80.4-59.8000113.2D236 Y237 L238 Y365 N373 A375 L376D236-Y369 WeakPolarHBondContact OD1-CE1 3.35Å; D236-Y369 PolarHBondContact OD1-OH 2.97Å; D236-Y369 PolarHBondContact OD2-OH 3.12Å; D236-Y369 VanDerWaalsContact OD2-OH 3.12Å; Y237-Y369 HydrophobicContact CD1-CD1 4.43Å; L238-Y369 HydrophobicContact CD1-CE2 3.8Å; L238-Y369 WeakPolarHBondContact CD1-OH 3.38Å; L238-Y369 HydrophobicContact CD2-CD2 4.41Å; L238-Y369 HydrophobicContact CD2-CE2 3.93Å; L238-Y369 HydrophobicContact CG-CE1 4Å; L238-Y369 HydrophobicContact CG-CE2 3.77Å; L238-Y369 VanDerWaalsContact CG-CZ 3.4Å; L238-Y369 VanDerWaalsContact CG-OH 3.22Å; L238-Y369 WeakPolarHBondContact CG-OH 3.39Å; Y365-Y369 HydrophobicContact CD1-CE2 4.33Å; Y365-Y369 HydrophobicContact CD2-CD2 4.44Å; Y365-Y369 HydrophobicContact CD2-CE2 4.09Å; Y365-Y369 HydrophobicContact CE2-CE2 4.47Å; Y365-Y369 HydrophobicContact CG-CD2 4.12Å; Y365-Y369 HydrophobicContact CG-CE2 4.04Å; Y365-Y369 PolarHBondContact O-N 3.49Å; Y369-N373 HydrophobicContact CD1-CB 4.21Å; Y369-N373 HydrophobicContact CG-CB 4.24Å; Y369-A375 HydrophobicContact CE2-CB 4.4Å; Y369-L376 HydrophobicContact CD2-CB 4.2Å; Y369-L376 HydrophobicContact CG-CB 4.45Å
370H96.8Very high97.2Very high34 Ų3429.6 Ų29.616%0.15716%0.156CC..  trans-53.8138.5164-177.3-95.3000110.2W204 N372 N373W204-H370 HydrophobicContact CD2-CB 4.36Å; W204-H370 AromaticContact CE2-CD2 3.58Å; W204-H370 HydrophobicContact CE3-CB 4.4Å; W204-H370 HydrophobicContact CH2-CB 3.77Å; W204-H370 HydrophobicContact CZ2-CB 3.66Å; W204-H370 AromaticContact CZ2-CD2 3.55Å; W204-H370 HydrophobicContact CZ3-CB 4.12Å; W204-H370 AromaticContact NE1-CD2 3.52Å; H370-N372 PolarHBondContact ND1-N 3.35Å; H370-N372 PolarHBondContact O-N 3.35Å; H370-N372 VanDerWaalsContact O-N 3.09Å; H370-N373 HydrophobicContact CB-CB 4.25Å; H370-N373 WeakPolarHBondContact O-CB 3.41Å; H370-N373 PolarHBondContact O-N 3.4Å
371P97.3Very high97.2Very high86 Ų8627.9 Ų27.956%0.55815%0.149SC*.THydrogen-bonded Turntrans-56.6-30.2-176.6-29.136.2000114.7I406P371-I406 WeakPolarHBondContact O-CD1 3.49Å; P371-I406 WeakPolarHBondContact O-CG1 3.18Å
372N97.8Very high97.1Very high38 Ų3832 Ų3220%0.20316%0.164CC..THydrogen-bonded Turntrans-101.223.8175.1-64.5-32.6000113.2L221 H370 V409 T410L221-N372 HydrophobicContact CD2-CB 4.11Å; L221-N372 WeakPolarHBondContact CD2-O 3.24Å; L221-N372 PolarHBondContact O-ND2 3.01Å; H370-N372 PolarHBondContact ND1-N 3.35Å; H370-N372 PolarHBondContact O-N 3.35Å; H370-N372 VanDerWaalsContact O-N 3.09Å; N372-V409 HydrophobicContact CB-CG1 4.02Å; N372-T410 WeakPolarHBondContact O-CG2 3.26Å
373N96.9Very high97.1Very high33 Ų3332.1 Ų32.118%0.17617%0.165CC..  trans-70.1134.5176.7-178.1-79.7000111.3Y369 H370 A375 L376 G377 I406Y369-N373 HydrophobicContact CD1-CB 4.21Å; Y369-N373 HydrophobicContact CG-CB 4.24Å; H370-N373 HydrophobicContact CB-CB 4.25Å; H370-N373 WeakPolarHBondContact O-CB 3.41Å; H370-N373 PolarHBondContact O-N 3.4Å; N373-A375 PolarHBondContact O-N 2.9Å; N373-A375 WeakPolarHBondContact OD1-CA 3.34Å; N373-A375 VanDerWaalsContact OD1-CB 3.22Å; N373-A375 WeakPolarHBondContact OD1-CB 3.41Å; N373-A375 PolarHBondContact OD1-N 3.07Å; N373-L376 HydrophobicContact CB-CB 4.17Å; N373-L376 WeakPolarHBondContact O-CB 3.3Å; N373-L376 PolarHBondContact O-N 2.86Å; N373-L376 PolarHBondContact OD1-N 2.83Å; N373-G377 PolarHBondContact O-N 3.28Å; N373-I406 WeakPolarHBondContact O-CG2 3.38Å
374A94.8Very high97.1Very high24 Ų2428.5 Ų28.520%0.19815%0.148CC..Hα-helixtrans-62.4-39.5-178.300000113L376 G377 M378 T410A374-L376 VanDerWaalsContact C-N 3.34Å; A374-L376 PolarHBondContact O-N 2.99Å; A374-G377 PolarHBondContact O-N 3.36Å; A374-M378 VanDerWaalsContact O-CG 3.29Å; A374-M378 WeakPolarHBondContact O-CG 3.36Å; A374-M378 PolarHBondContact O-N 2.9Å; A374-T410 HydrophobicContact CB-CG2 4.13Å
375A93.8Very high97.1Very high42 Ų4230.3 Ų30.335%0.34716%0.159SC..Hα-helixtrans-64.8-38.6177.500000111.7Y369 N373 M378 A379Y369-A375 HydrophobicContact CE2-CB 4.4Å; N373-A375 PolarHBondContact O-N 2.9Å; N373-A375 WeakPolarHBondContact OD1-CA 3.34Å; N373-A375 VanDerWaalsContact OD1-CB 3.22Å; N373-A375 WeakPolarHBondContact OD1-CB 3.41Å; N373-A375 PolarHBondContact OD1-N 3.07Å; A375-M378 PolarHBondContact O-N 2.94Å; A375-A379 VanDerWaalsContact O-CB 3.25Å; A375-A379 WeakPolarHBondContact O-CB 3.44Å; A375-A379 PolarHBondContact O-N 2.89Å
376L97.2Very high97.1Very high4 Ų430 Ų302%0.02116%0.159CC..Hα-helixtrans-61.8-45.2172.4176.262.8000111.6K366 Y369 N373 A374 A379 A380 I406K366-L376 HydrophobicContact CG-CD1 4.06Å; Y369-L376 HydrophobicContact CD2-CB 4.2Å; Y369-L376 HydrophobicContact CG-CB 4.45Å; N373-L376 HydrophobicContact CB-CB 4.17Å; N373-L376 WeakPolarHBondContact O-CB 3.3Å; N373-L376 PolarHBondContact O-N 2.86Å; N373-L376 PolarHBondContact OD1-N 2.83Å; A374-L376 VanDerWaalsContact C-N 3.34Å; A374-L376 PolarHBondContact O-N 2.99Å; L376-A379 PolarHBondContact O-N 2.79Å; L376-A380 WeakPolarHBondContact O-CB 3.39Å; L376-A380 PolarHBondContact O-N 3.24Å; L376-I406 HydrophobicContact CD2-CD1 4.08Å; L376-I406 HydrophobicContact CG-CD1 3.99Å
377G97.1Very high97.1Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-59.9-46.8176.400000112.6N373 A374 A380 M381 A403 L407N373-G377 PolarHBondContact O-N 3.28Å; A374-G377 PolarHBondContact O-N 3.36Å; G377-A380 PolarHBondContact O-N 3.31Å; G377-M381 PolarHBondContact O-N 2.97Å; G377-A403 WeakPolarHBondContact O-CB 3.2Å; G377-L407 VanDerWaalsContact C-CD1 3.45Å
378M95.5Very high97.2Very high15 Ų1524.3 Ų24.37%0.07413%0.134CC..Hα-helixtrans-65.9-38.5177.7-67.4-60.2-72.400112.5R183 A374 A375 M381 R382 L407 I417R183-M378 WeakPolarHBondContact O-CE 3.2Å; A374-M378 VanDerWaalsContact O-CG 3.29Å; A374-M378 WeakPolarHBondContact O-CG 3.36Å; A374-M378 PolarHBondContact O-N 2.9Å; A375-M378 PolarHBondContact O-N 2.94Å; M378-M381 PolarHBondContact O-N 2.92Å; M378-R382 PolarHBondContact O-N 3.48Å; M378-R382 PolarHBondContact O-NH1 3.21Å; M378-L407 HydrophobicContact SD-CD1 4.5Å; M378-L407 HydrophobicContact SD-CD2 3.98Å; M378-I417 HydrophobicContact CE-CD1 4.02Å; M378-I417 HydrophobicContact CE-CG2 4.21Å; M378-I417 HydrophobicContact SD-CD1 4.27Å; M378-I417 HydrophobicContact SD-CG2 3.93Å
379A96.2Very high97.2Very high0 Ų029.2 Ų29.20%016%0.157CC..Hα-helixtrans-65.5-43.6175.100000111.8M361 V362 Y365 A375 L376 M381 R382 A383M361-A379 HydrophobicContact CE-CB 4.05Å; V362-A379 HydrophobicContact CG2-CB 4.47Å; Y365-A379 HydrophobicContact CD2-CB 3.83Å; Y365-A379 HydrophobicContact CE2-CB 4.05Å; A375-A379 VanDerWaalsContact O-CB 3.25Å; A375-A379 WeakPolarHBondContact O-CB 3.44Å; A375-A379 PolarHBondContact O-N 2.89Å; L376-A379 PolarHBondContact O-N 2.79Å; A379-M381 VanDerWaalsContact C-N 3.34Å; A379-M381 PolarHBondContact O-N 3.31Å; A379-R382 PolarHBondContact O-N 3.49Å; A379-A383 WeakPolarHBondContact O-CB 3.01Å; A379-A383 PolarHBondContact O-N 2.88Å
380A98.1Very high97.2Very high3 Ų330.2 Ų30.23%0.02517%0.166CC..Hα-helixtrans-63.5-38.7175.300000112.1L376 G377 A383 G384 A403L376-A380 WeakPolarHBondContact O-CB 3.39Å; L376-A380 PolarHBondContact O-N 3.24Å; G377-A380 PolarHBondContact O-N 3.31Å; A380-A383 PolarHBondContact O-N 3.25Å; A380-G384 PolarHBondContact O-N 3.35Å; A380-A403 HydrophobicContact CB-CB 3.91Å
381M97.8Very high97.1Very high32 Ų3231 Ų3116%0.15818%0.184CC..Hα-helixtrans-60.2-52.4174.6167.4172.8159.700110.8G377 M378 A379 A383 G384 V385 A403 L407 I417 L421 M424G377-M381 PolarHBondContact O-N 2.97Å; M378-M381 PolarHBondContact O-N 2.92Å; A379-M381 VanDerWaalsContact C-N 3.34Å; A379-M381 PolarHBondContact O-N 3.31Å; M381-A383 PolarHBondContact O-N 3.27Å; M381-G384 PolarHBondContact O-N 3.35Å; M381-V385 WeakPolarHBondContact O-CG2 3.41Å; M381-V385 PolarHBondContact O-N 3.13Å; M381-A403 HydrophobicContact CB-CB 3.76Å; M381-A403 VanDerWaalsContact N-CB 3.34Å; M381-L407 HydrophobicContact SD-CD2 4.32Å; M381-I417 HydrophobicContact CE-CG2 4.27Å; M381-I417 HydrophobicContact SD-CG2 3.84Å; M381-L421 HydrophobicContact CB-CD1 4.41Å; M381-L421 HydrophobicContact CB-CD2 4.44Å; M381-L421 HydrophobicContact CG-CD1 3.95Å; M381-L421 HydrophobicContact SD-CB 4.36Å; M381-L421 HydrophobicContact SD-CD1 4.16Å; M381-L421 HydrophobicContact SD-CD2 4.18Å; M381-L421 HydrophobicContact SD-CG 4.49Å; M381-M424 HydrophobicContact CE-CE 3.56Å; M381-M424 HydrophobicContact SD-CE 4.42Å
382R96.6Very high97.1Very high94 Ų9430.5 Ų30.536%0.35518%0.176SC..Hα-helixtrans-60.4-46.1178.7-71.7-171-62.9-86.42.7111.5M378 A379 G384 V385 T386M378-R382 PolarHBondContact O-N 3.48Å; M378-R382 PolarHBondContact O-NH1 3.21Å; A379-R382 PolarHBondContact O-N 3.49Å; R382-G384 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 2.68Å; R382-V385 PolarHBondContact O-N 3.37Å; R382-T386 PolarHBondContact O-N 3.36Å; R382-T386 PolarHBondContact O-OG1 3.43Å; R382-T386 VanDerWaalsContact O-OG1 3.05Å
383A98.1Very high97.1Very high2 Ų229 Ų292%0.01717%0.168CC..Hα-helixtrans-59.6-44.3177.700000112.1A358 V362 A379 A380 M381 V385 T386 H387 M399A358-A383 HydrophobicContact CB-CB 3.72Å; V362-A383 HydrophobicContact CG2-CB 3.57Å; A379-A383 WeakPolarHBondContact O-CB 3.01Å; A379-A383 PolarHBondContact O-N 2.88Å; A380-A383 PolarHBondContact O-N 3.25Å; M381-A383 PolarHBondContact O-N 3.27Å; A383-V385 PolarHBondContact O-N 2.83Å; A383-T386 PolarHBondContact O-N 3.1Å; A383-H387 PolarHBondContact O-N 3.41Å; A383-H387 PolarHBondContact O-ND1 3.03Å; A383-M399 HydrophobicContact CB-SD 3.67Å
384G98.3Very high97.2Very high0 Ų032.2 Ų32.20%018%0.182CC..Hα-helixtrans-62.8-40.7177.800000113A380 M381 R382 H387 W388 G396A380-G384 PolarHBondContact O-N 3.35Å; M381-G384 PolarHBondContact O-N 3.35Å; R382-G384 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 2.68Å; G384-H387 PolarHBondContact O-N 3.33Å; G384-W388 WeakPolarHBondContact O-CB 3.33Å; G384-W388 PolarHBondContact O-N 2.93Å; G384-G396 WeakPolarHBondContact O-CA 3.25Å
385V97.8Very high97.3Very high38 Ų3834.1 Ų34.123%0.2319%0.191CC..Hα-helixtrans-63.4-45173174.20000111.1M381 R382 A383 H387 W388 Q389 M424M381-V385 WeakPolarHBondContact O-CG2 3.41Å; M381-V385 PolarHBondContact O-N 3.13Å; R382-V385 PolarHBondContact O-N 3.37Å; A383-V385 PolarHBondContact O-N 2.83Å; V385-H387 VanDerWaalsContact C-N 3.34Å; V385-H387 PolarHBondContact O-N 3.3Å; V385-W388 PolarHBondContact O-N 3.06Å; V385-Q389 HydrophobicContact CG1-CG 4.34Å; V385-Q389 WeakPolarHBondContact O-CG 3.33Å; V385-Q389 PolarHBondContact O-N 2.94Å; V385-M424 HydrophobicContact CG2-SD 3.64Å
386T98.3Very high97.5Very high14 Ų1432.1 Ų32.19%0.08618%0.175CC..Hα-helixtrans-59.3-43.5177.2-57.40000112A346 A354 A355 R382 A383 Q389 A390A346-T386 HydrophobicContact CB-CG2 4.46Å; A354-T386 HydrophobicContact CB-CG2 3.51Å; A355-T386 HydrophobicContact CB-CG2 4.18Å; R382-T386 PolarHBondContact O-N 3.36Å; R382-T386 PolarHBondContact O-OG1 3.43Å; R382-T386 VanDerWaalsContact O-OG1 3.05Å; A383-T386 PolarHBondContact O-N 3.1Å; T386-Q389 PolarHBondContact O-N 2.88Å; T386-A390 PolarHBondContact O-N 3.21Å
387H98.6Very high97.6Very high2 Ų232.8 Ų32.81%0.00918%0.177CC..Hα-helixtrans-65.2-40.2175.9-75.875.8000112.2A355 A383 G384 V385 A390 G391 L392 V395A355-H387 PolarHBondContact O-CE1 3.09Å; A355-H387 PolarHBondContact O-NE2 3.45Å; A383-H387 PolarHBondContact O-N 3.41Å; A383-H387 PolarHBondContact O-ND1 3.03Å; G384-H387 PolarHBondContact O-N 3.33Å; V385-H387 VanDerWaalsContact C-N 3.34Å; V385-H387 PolarHBondContact O-N 3.3Å; H387-A390 CarbonylContact O-C 3.57Å; H387-A390 WeakPolarHBondContact O-CB 3.34Å; H387-A390 PolarHBondContact O-N 3.07Å; H387-G391 PolarHBondContact O-N 3.22Å; H387-L392 HydrophobicContact CB-CB 4.23Å; H387-L392 WeakPolarHBondContact O-CA 3.22Å; H387-L392 WeakPolarHBondContact O-CB 3.29Å; H387-L392 PolarHBondContact O-N 3.28Å; H387-V395 WeakPolarHBondContact CD2-CG1 3.34Å
388W98.3Very high97.6Very high40 Ų4034.7 Ų34.715%0.15220%0.198CC..Hα-helixtrans-62.2-44.7176.1178.928000111.5G384 V385 A390 G391 I400 M424 Q427 T428 E431G384-W388 WeakPolarHBondContact O-CB 3.33Å; G384-W388 PolarHBondContact O-N 2.93Å; V385-W388 PolarHBondContact O-N 3.06Å; W388-A390 PolarHBondContact O-N 3.4Å; W388-G391 PolarHBondContact O-N 3.43Å; W388-I400 HydrophobicContact CE3-CD1 4.44Å; W388-M424 HydrophobicContact CZ3-CG 4.27Å; W388-Q427 HydrophobicContact CH2-CB 4.04Å; W388-Q427 HydrophobicContact CZ2-CB 4.2Å; W388-T428 HydrophobicContact CB-CG2 4.38Å; W388-T428 HydrophobicContact CD2-CG2 3.42Å; W388-T428 VanDerWaalsContact CD2-CG2 3.42Å; W388-T428 HydrophobicContact CE3-CG2 3.77Å; W388-T428 HydrophobicContact CG-CG2 3.71Å; W388-T428 HydrophobicContact CH2-CG2 4.44Å; W388-T428 HydrophobicContact CZ2-CG2 4.15Å; W388-T428 HydrophobicContact CZ3-CG2 4.26Å; W388-E431 PolarHBondContact NE1-OE2 3.27Å
389Q97.5Very high97.8Very high103 Ų10334.8 Ų34.848%0.48120%0.198SC..Hα-helixtrans-63.9-28.3174.5-65.4-62.6-43.400112.9F351 V385 T386 G391F351-Q389 HydrophobicContact CB-CB 4.24Å; F351-Q389 HydrophobicContact CD1-CB 3.59Å; F351-Q389 HydrophobicContact CD1-CG 4.36Å; F351-Q389 HydrophobicContact CD2-CB 3.93Å; F351-Q389 HydrophobicContact CE1-CB 3.83Å; F351-Q389 HydrophobicContact CE1-CG 4.14Å; F351-Q389 HydrophobicContact CE2-CB 4.14Å; F351-Q389 HydrophobicContact CG-CB 3.65Å; F351-Q389 HydrophobicContact CZ-CB 4.09Å; F351-Q389 HydrophobicContact CZ-CG 4.34Å; V385-Q389 HydrophobicContact CG1-CG 4.34Å; V385-Q389 WeakPolarHBondContact O-CG 3.33Å; V385-Q389 PolarHBondContact O-N 2.94Å; T386-Q389 PolarHBondContact O-N 2.88Å; Q389-G391 PolarHBondContact O-N 2.9Å
390A97.6Very high97.9Very high30 Ų3034.8 Ų34.825%0.24820%0.198CC..THydrogen-bonded Turntrans-76.7-0.4172.200000113.8F351 A355 T386 H387 W388 L392F351-A390 HydrophobicContact CB-CB 3.9Å; A355-A390 HydrophobicContact CB-CB 4.16Å; T386-A390 PolarHBondContact O-N 3.21Å; H387-A390 CarbonylContact O-C 3.57Å; H387-A390 WeakPolarHBondContact O-CB 3.34Å; H387-A390 PolarHBondContact O-N 3.07Å; W388-A390 PolarHBondContact O-N 3.4Å; A390-L392 HydrophobicContact CB-CD1 4.16Å; A390-L392 HydrophobicContact CB-CG 4.09Å; A390-L392 PolarHBondContact O-N 3.25Å
391G96.1Very high97.9Very high51 Ų5136.6 Ų36.653%0.52621%0.21SC..THydrogen-bonded Turntrans75.67.6-174.900000114.4H387 W388 Q389 I393H387-G391 PolarHBondContact O-N 3.22Å; W388-G391 PolarHBondContact O-N 3.43Å; Q389-G391 PolarHBondContact O-N 2.9Å; G391-I393 PolarHBondContact O-N 2.87Å
392L97.4Very high97.9Very high76 Ų7639.5 Ų39.540%0.39822%0.222SC..  trans-85.161.8179.8-57.9175.4000110.6A355 H387 A390 E394 V395 G396A355-L392 HydrophobicContact CB-CD1 4.07Å; H387-L392 HydrophobicContact CB-CB 4.23Å; H387-L392 WeakPolarHBondContact O-CA 3.22Å; H387-L392 WeakPolarHBondContact O-CB 3.29Å; H387-L392 PolarHBondContact O-N 3.28Å; A390-L392 HydrophobicContact CB-CD1 4.16Å; A390-L392 HydrophobicContact CB-CG 4.09Å; A390-L392 PolarHBondContact O-N 3.25Å; L392-E394 PolarHBondContact O-N 2.79Å; L392-V395 PolarHBondContact O-N 3.06Å; L392-G396 PolarHBondContact O-N 3.32Å
393I97.9Very high98Very high7 Ų735 Ų354%0.03621%0.205CC..Hα-helixtrans-59.5-38-165.2-172.657.7000114.4G391 G396 H397 T428 E431 L432 F435G391-I393 PolarHBondContact O-N 2.87Å; I393-G396 PolarHBondContact O-N 2.95Å; I393-H397 VanDerWaalsContact O-CB 3.24Å; I393-H397 WeakPolarHBondContact O-CB 3.39Å; I393-H397 PolarHBondContact O-N 2.81Å; I393-T428 HydrophobicContact CD1-CG2 4.06Å; I393-E431 HydrophobicContact CD1-CB 3.9Å; I393-E431 HydrophobicContact CD1-CG 3.97Å; I393-E431 HydrophobicContact CG1-CB 4.16Å; I393-E431 HydrophobicContact CG1-CG 4.01Å; I393-L432 HydrophobicContact CG1-CB 3.98Å; I393-L432 HydrophobicContact CG2-CD1 4.34Å; I393-F435 HydrophobicContact CG2-CB 4.04Å; I393-F435 HydrophobicContact CG2-CD1 4.1Å; I393-F435 HydrophobicContact CG2-CD2 4.24Å; I393-F435 HydrophobicContact CG2-CG 3.86Å
394E97.5Very high98Very high100 Ų10037 Ų3747%0.46721%0.212SC..Hα-helixtrans-63.1-46.7-179.7-62.3-173.3111.100111.8L392 G398 L432 F435 K436L392-E394 PolarHBondContact O-N 2.79Å; E394-G398 PolarHBondContact O-N 2.87Å; E394-G398 VanDerWaalsContact O-N 3.16Å; E394-L432 HydrophobicContact CB-CD1 4.41Å; E394-L432 HydrophobicContact CG-CD1 3.71Å; E394-F435 HydrophobicContact CG-CD1 4.41Å; E394-F435 HydrophobicContact CG-CE1 4.17Å; E394-K436 WeakPolarHBondContact OE1-CE 3.42Å; E394-K436 IonicContact OE1-NZ 3.43Å; E394-K436 PolarHBondContact OE1-NZ 3.48Å
395V97.6Very high98Very high64 Ų6439.8 Ų39.839%0.38824%0.235SC..Hα-helixtrans-71.7-43.8179.2-176.20000110.1H387 L392 G398 M399H387-V395 WeakPolarHBondContact CD2-CG1 3.34Å; L392-V395 PolarHBondContact O-N 3.06Å; V395-G398 PolarHBondContact O-N 3.14Å; V395-M399 HydrophobicContact CG1-CE 3.72Å; V395-M399 HydrophobicContact CG1-CG 4.44Å; V395-M399 HydrophobicContact CG1-SD 4.23Å; V395-M399 WeakPolarHBondContact O-CG 3.45Å; V395-M399 PolarHBondContact O-N 2.93Å
396G98.1Very high98.1Very high0 Ų038.3 Ų38.30%023%0.226CC..Hα-helixtrans-57.3-50.9178.300000112.3G384 L392 I393 G398 M399 I400G384-G396 WeakPolarHBondContact O-CA 3.25Å; L392-G396 PolarHBondContact O-N 3.32Å; I393-G396 PolarHBondContact O-N 2.95Å; G396-G398 PolarHBondContact O-N 3.48Å; G396-M399 PolarHBondContact O-N 3.22Å; G396-I400 WeakPolarHBondContact O-CB 3.38Å; G396-I400 WeakPolarHBondContact O-CG1 3.35Å; G396-I400 PolarHBondContact O-N 3.04Å
397H98.4Very high98Very high17 Ų1737.7 Ų37.78%0.07922%0.222CC..Hα-helixtrans-60.9-45.9176.9-17863.7000112I393 M399 I400 C401 T428 E429 L432I393-H397 VanDerWaalsContact O-CB 3.24Å; I393-H397 WeakPolarHBondContact O-CB 3.39Å; I393-H397 PolarHBondContact O-N 2.81Å; H397-M399 VanDerWaalsContact C-N 3.33Å; H397-M399 PolarHBondContact O-N 3.48Å; H397-I400 PolarHBondContact O-N 2.89Å; H397-C401 PolarHBondContact CE1-SG 3.24Å; H397-C401 PolarHBondContact NE2-SG 2.66Å; H397-C401 PolarHBondContact O-N 2.99Å; H397-T428 PolarHBondContact ND1-OG1 3.13Å; H397-E429 PolarHBondContact ND1-N 3.46Å; H397-L432 HydrophobicContact CB-CD2 4.16Å; H397-L432 VanDerWaalsContact CD2-CD2 3.44Å; H397-L432 WeakPolarHBondContact CD2-CD2 3.47Å
398G98.2Very high98Very high41 Ų4140.5 Ų40.542%0.42324%0.236SC..Hα-helixtrans-59.2-41.5178.500000113.3E394 V395 G396 K402E394-G398 PolarHBondContact O-N 2.87Å; E394-G398 VanDerWaalsContact O-N 3.16Å; V395-G398 PolarHBondContact O-N 3.14Å; G396-G398 PolarHBondContact O-N 3.48Å; G398-K402 PolarHBondContact O-N 3.05Å; G398-K402 VanDerWaalsContact O-N 3.09Å
399M98.5Very high98Very high16 Ų1639.6 Ų39.68%0.07924%0.235CC..Hα-helixtrans-68.7-41.4175.7-72-174.917900112.4R359 A383 V395 G396 H397 K402 A403R359-M399 HydrophobicContact CB-CE 4.11Å; R359-M399 HydrophobicContact CG-CE 4.1Å; A383-M399 HydrophobicContact CB-SD 3.67Å; V395-M399 HydrophobicContact CG1-CE 3.72Å; V395-M399 HydrophobicContact CG1-CG 4.44Å; V395-M399 HydrophobicContact CG1-SD 4.23Å; V395-M399 WeakPolarHBondContact O-CG 3.45Å; V395-M399 PolarHBondContact O-N 2.93Å; G396-M399 PolarHBondContact O-N 3.22Å; H397-M399 VanDerWaalsContact C-N 3.33Å; H397-M399 PolarHBondContact O-N 3.48Å; M399-K402 PolarHBondContact O-N 3.42Å; M399-A403 WeakPolarHBondContact O-CB 3.24Å; M399-A403 PolarHBondContact O-N 3.44Å
400I98.7Very high98Very high0 Ų034.7 Ų34.70%021%0.212CC..Hα-helixtrans-60.7-44.5175.3-77.3163.5000111.1W388 G396 H397 K402 A403 Y404 L421 R425 T428W388-I400 HydrophobicContact CE3-CD1 4.44Å; G396-I400 WeakPolarHBondContact O-CB 3.38Å; G396-I400 WeakPolarHBondContact O-CG1 3.35Å; G396-I400 PolarHBondContact O-N 3.04Å; H397-I400 PolarHBondContact O-N 2.89Å; I400-K402 PolarHBondContact O-N 3.33Å; I400-A403 PolarHBondContact O-N 2.96Å; I400-Y404 WeakPolarHBondContact O-CB 3.33Å; I400-Y404 PolarHBondContact O-N 2.95Å; I400-L421 HydrophobicContact CB-CD1 4.48Å; I400-L421 HydrophobicContact CG1-CD1 4.45Å; I400-L421 HydrophobicContact CG2-CD1 3.82Å; I400-R425 HydrophobicContact CG2-CB 3.77Å; I400-R425 HydrophobicContact CG2-CG 4.15Å; I400-T428 HydrophobicContact CD1-CG2 3.63Å
401C98.6Very high97.9Very high41 Ų4133.5 Ų33.528%0.27720%0.201SC..Hα-helixtrans-61.1-43.1175.1-77.90000112.4H397 Y404 A405H397-C401 PolarHBondContact CE1-SG 3.24Å; H397-C401 PolarHBondContact NE2-SG 2.66Å; H397-C401 PolarHBondContact O-N 2.99Å; C401-Y404 PolarHBondContact O-N 2.94Å; C401-A405 PolarHBondContact O-N 3.21Å
402K98.2Very high97.9Very high93 Ų9331.1 Ų31.140%0.40418%0.176SC..Hα-helixtrans-65.6-41.5177.5-175.5160.8-179.5163.90111.8G398 M399 I400 Y404 A405 I406G398-K402 PolarHBondContact O-N 3.05Å; G398-K402 VanDerWaalsContact O-N 3.09Å; M399-K402 PolarHBondContact O-N 3.42Å; I400-K402 PolarHBondContact O-N 3.33Å; K402-Y404 VanDerWaalsContact C-N 3.34Å; K402-A405 PolarHBondContact O-N 3.12Å; K402-I406 HydrophobicContact CG-CD1 4.48Å; K402-I406 WeakPolarHBondContact O-CG1 3.26Å; K402-I406 PolarHBondContact O-N 3.03Å
403A98.4Very high97.8Very high0 Ų030.9 Ų30.90%018%0.179CC..Hα-helixtrans-61.2-43.9173.900000111.4G377 A380 M381 M399 I400 A405 I406 L407 L421G377-A403 WeakPolarHBondContact O-CB 3.2Å; A380-A403 HydrophobicContact CB-CB 3.91Å; M381-A403 HydrophobicContact CB-CB 3.76Å; M381-A403 VanDerWaalsContact N-CB 3.34Å; M399-A403 WeakPolarHBondContact O-CB 3.24Å; M399-A403 PolarHBondContact O-N 3.44Å; I400-A403 PolarHBondContact O-N 2.96Å; A403-A405 VanDerWaalsContact C-N 3.33Å; A403-A405 PolarHBondContact O-N 2.87Å; A403-I406 PolarHBondContact O-N 3.06Å; A403-L407 WeakPolarHBondContact O-CB 3.44Å; A403-L407 WeakPolarHBondContact O-CD1 3.47Å; A403-L407 PolarHBondContact O-N 3.26Å; A403-L421 HydrophobicContact CB-CD2 3.87Å
404Y98.6Very high97.6Very high44 Ų4433.8 Ų33.817%0.17320%0.198CC..Hα-helixtrans-60.1-43.2179.1-178.1-104.4000111.4I400 C401 K402 I406 L407 M408 T418 L421 E422I400-Y404 WeakPolarHBondContact O-CB 3.33Å; I400-Y404 PolarHBondContact O-N 2.95Å; C401-Y404 PolarHBondContact O-N 2.94Å; K402-Y404 VanDerWaalsContact C-N 3.34Å; Y404-I406 PolarHBondContact O-N 2.76Å; Y404-L407 PolarHBondContact O-N 3.13Å; Y404-M408 HydrophobicContact CD1-CG 4.18Å; Y404-M408 HydrophobicContact CD2-CG 4.44Å; Y404-M408 HydrophobicContact CE1-CG 3.86Å; Y404-M408 HydrophobicContact CE1-SD 4.38Å; Y404-M408 HydrophobicContact CE2-CG 4.13Å; Y404-M408 HydrophobicContact CE2-SD 4.12Å; Y404-M408 HydrophobicContact CG-CG 4.47Å; Y404-M408 WeakPolarHBondContact O-CB 3.38Å; Y404-M408 WeakPolarHBondContact O-CG 3.32Å; Y404-M408 PolarHBondContact O-N 3.07Å; Y404-T418 HydrophobicContact CD2-CG2 4.29Å; Y404-T418 HydrophobicContact CE2-CG2 3.94Å; Y404-L421 HydrophobicContact CD2-CG 4.29Å; Y404-E422 HydrophobicContact CD2-CB 4.41Å; Y404-E422 HydrophobicContact CE2-CB 3.72Å; Y404-E422 HydrophobicContact CE2-CG 4.16Å; Y404-E422 PolarHBondContact OH-OE1 2.88Å
405A98.4Very high97.3Very high58 Ų5829.4 Ų29.448%0.47918%0.177SC..Hα-helixtrans-58.9-43.4175.500000112.9C401 K402 A403C401-A405 PolarHBondContact O-N 3.21Å; K402-A405 PolarHBondContact O-N 3.12Å; A403-A405 VanDerWaalsContact C-N 3.33Å; A403-A405 PolarHBondContact O-N 2.87Å
406I98.4Very high97Very high8 Ų827.9 Ų27.94%0.04117%0.168CC..Hα-helixtrans-69.7-41.6178.4-63.1170.6000111.3P371 N373 L376 K402 A403 Y404 M408 V409 T410P371-I406 WeakPolarHBondContact O-CD1 3.49Å; P371-I406 WeakPolarHBondContact O-CG1 3.18Å; N373-I406 WeakPolarHBondContact O-CG2 3.38Å; L376-I406 HydrophobicContact CD2-CD1 4.08Å; L376-I406 HydrophobicContact CG-CD1 3.99Å; K402-I406 HydrophobicContact CG-CD1 4.48Å; K402-I406 WeakPolarHBondContact O-CG1 3.26Å; K402-I406 PolarHBondContact O-N 3.03Å; A403-I406 PolarHBondContact O-N 3.06Å; Y404-I406 PolarHBondContact O-N 2.76Å; I406-M408 VanDerWaalsContact C-N 3.32Å; I406-M408 PolarHBondContact O-N 3.13Å; I406-V409 PolarHBondContact O-N 3.3Å; I406-T410 HydrophobicContact CG2-CG2 4.23Å; I406-T410 PolarHBondContact O-N 2.86Å; I406-T410 PolarHBondContact O-OG1 3.38Å
407L97.8Very high96.7Very high0 Ų028.1 Ų28.10%017%0.169CC..Hα-helixtrans-71.5-28-178.9-91.465.7000112.4G377 M378 M381 A403 Y404 V409 T410 H411 G412 I417 L421G377-L407 VanDerWaalsContact C-CD1 3.45Å; M378-L407 HydrophobicContact SD-CD1 4.5Å; M378-L407 HydrophobicContact SD-CD2 3.98Å; M381-L407 HydrophobicContact SD-CD2 4.32Å; A403-L407 WeakPolarHBondContact O-CB 3.44Å; A403-L407 WeakPolarHBondContact O-CD1 3.47Å; A403-L407 PolarHBondContact O-N 3.26Å; Y404-L407 PolarHBondContact O-N 3.13Å; L407-V409 PolarHBondContact O-N 3.02Å; L407-T410 WeakPolarHBondContact CA-OG1 3.42Å; L407-H411 CarbonylContact O-C 3.57Å; L407-H411 WeakPolarHBondContact O-CA 3.39Å; L407-H411 WeakPolarHBondContact O-CB 3.46Å; L407-H411 PolarHBondContact O-N 3.31Å; L407-G412 PolarHBondContact O-N 3Å; L407-I417 HydrophobicContact CD2-CB 4.45Å; L407-I417 HydrophobicContact CD2-CG2 3.53Å; L407-L421 HydrophobicContact CB-CD2 4.41Å; L407-L421 HydrophobicContact CD2-CD2 3.8Å
408M98.1Very high96.6Very high62 Ų6227.3 Ų27.331%0.30517%0.166SC..Hα-helixtrans-61.5-33.2169.9-78-64.5-62.900112.7Y404 I406 G412 P413 T418Y404-M408 HydrophobicContact CD1-CG 4.18Å; Y404-M408 HydrophobicContact CD2-CG 4.44Å; Y404-M408 HydrophobicContact CE1-CG 3.86Å; Y404-M408 HydrophobicContact CE1-SD 4.38Å; Y404-M408 HydrophobicContact CE2-CG 4.13Å; Y404-M408 HydrophobicContact CE2-SD 4.12Å; Y404-M408 HydrophobicContact CG-CG 4.47Å; Y404-M408 WeakPolarHBondContact O-CB 3.38Å; Y404-M408 WeakPolarHBondContact O-CG 3.32Å; Y404-M408 PolarHBondContact O-N 3.07Å; I406-M408 VanDerWaalsContact C-N 3.32Å; I406-M408 PolarHBondContact O-N 3.13Å; M408-G412 WeakPolarHBondContact O-CA 3.25Å; M408-G412 PolarHBondContact O-N 3.35Å; M408-P413 HydrophobicContact CE-CB 3.88Å; M408-P413 HydrophobicContact CE-CG 4.24Å; M408-P413 HydrophobicContact SD-CB 3.96Å; M408-T418 HydrophobicContact CG-CG2 4.26Å; M408-T418 HydrophobicContact SD-CG2 3.65Å
409V98.3Very high96.4Very high20 Ų2030.3 Ų30.312%0.12117%0.167CC..Hα-helixtrans-77.3-55.1174173.80000110.7A24 L221 N372 I406 L407A24-V409 HydrophobicContact CB-CG1 4.29Å; A24-V409 HydrophobicContact CB-CG2 4.44Å; L221-V409 HydrophobicContact CD2-CG1 4.49Å; N372-V409 HydrophobicContact CB-CG1 4.02Å; I406-V409 PolarHBondContact O-N 3.3Å; L407-V409 PolarHBondContact O-N 3.02Å
410T97.3Very high96.2Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-78-34.3-167.851.30000114.3T208 R219 L221 N372 A374 I406 L407T208-T410 HydrophobicContact CG2-CG2 4.14Å; R219-T410 WeakPolarHBondContact CD-O 3.26Å; L221-T410 HydrophobicContact CD2-CG2 3.9Å; N372-T410 WeakPolarHBondContact O-CG2 3.26Å; A374-T410 HydrophobicContact CB-CG2 4.13Å; I406-T410 HydrophobicContact CG2-CG2 4.23Å; I406-T410 PolarHBondContact O-N 2.86Å; I406-T410 PolarHBondContact O-OG1 3.38Å; L407-T410 WeakPolarHBondContact CA-OG1 3.42Å
411H95.6Very high96.2Very high6 Ų634 Ų343%0.02819%0.187CC..THydrogen-bonded Turntrans-112.1-32.4-176.2-63.964.8000111.9I210 R219 L407 H415 T418I210-H411 WeakPolarHBondContact CD1-CD2 3.38Å; I210-H411 WeakPolarHBondContact CD1-NE2 3.42Å; I210-H411 HydrophobicContact CG1-CB 4.36Å; R219-H411 PolarHBondContact NE-O 3.2Å; L407-H411 CarbonylContact O-C 3.57Å; L407-H411 WeakPolarHBondContact O-CA 3.39Å; L407-H411 WeakPolarHBondContact O-CB 3.46Å; L407-H411 PolarHBondContact O-N 3.31Å; H411-H415 HydrophobicContact CB-CB 3.76Å; H411-H415 AromaticContact CD2-CE1 3.57Å; H411-H415 AromaticContact CD2-CG 3.93Å; H411-H415 AromaticContact CD2-ND1 3.58Å; H411-H415 AromaticContact CD2-NE2 3.86Å; H411-H415 WeakPolarHBondContact O-CB 3.46Å; H411-T418 WeakPolarHBondContact CB-OG1 3.4Å
412G96.2Very high96.1Very high0 Ų035.6 Ų35.60%019%0.191CC..  trans83.2166.9-176.900000113.9L407 M408 T414 H415 T418L407-G412 PolarHBondContact O-N 3Å; M408-G412 WeakPolarHBondContact O-CA 3.25Å; M408-G412 PolarHBondContact O-N 3.35Å; G412-T414 VanDerWaalsContact C-N 3.28Å; G412-T414 PolarHBondContact O-N 2.64Å; G412-H415 PolarHBondContact O-N 3.25Å; G412-T418 WeakPolarHBondContact O-CB 3.31Å; G412-T418 WeakPolarHBondContact O-CG2 3.43Å; G412-T418 PolarHBondContact O-OG1 2.79Å
413P95.5Very high96.1Very high72 Ų7233.1 Ų33.147%0.46819%0.188SC..THydrogen-bonded Turntrans-69.6-22.4-173.125.6-34000114M408M408-P413 HydrophobicContact CE-CB 3.88Å; M408-P413 HydrophobicContact CE-CG 4.24Å; M408-P413 HydrophobicContact SD-CB 3.96Å
414T92.7Very high96Very high68 Ų6834.8 Ų34.842%0.41720%0.196SC..THydrogen-bonded Turntrans-84.7-18.6-176.959.20000112.6N212 H213 G412 K419N212-T414 PolarHBondContact ND2-OG1 3.05Å; N212-T414 VanDerWaalsContact ND2-OG1 3.15Å; H213-T414 PolarHBondContact CE1-O 3.25Å; G412-T414 VanDerWaalsContact C-N 3.28Å; G412-T414 PolarHBondContact O-N 2.64Å; T414-K419 WeakPolarHBondContact O-CE 3.36Å; T414-K419 PolarHBondContact O-NZ 2.99Å
415H92.7Very high96Very high8 Ų835 Ų354%0.03720%0.196CC..SBendtrans-66137.8-175.2-168.2-81.7000111.7L211 H411 G412 I417 T418 K419L211-H415 PolarHBondContact O-NE2 3.21Å; L211-H415 VanDerWaalsContact O-NE2 3.09Å; H411-H415 HydrophobicContact CB-CB 3.76Å; H411-H415 AromaticContact CD2-CE1 3.57Å; H411-H415 AromaticContact CD2-CG 3.93Å; H411-H415 AromaticContact CD2-ND1 3.58Å; H411-H415 AromaticContact CD2-NE2 3.86Å; H411-H415 WeakPolarHBondContact O-CB 3.46Å; G412-H415 PolarHBondContact O-N 3.25Å; H415-I417 VanDerWaalsContact C-N 3.35Å; H415-I417 VanDerWaalsContact CE1-CD1 3.46Å; H415-I417 WeakPolarHBondContact CE1-CD1 3.3Å; H415-I417 PolarHBondContact ND1-N 3.3Å; H415-I417 VanDerWaalsContact ND1-N 3.19Å; H415-I417 PolarHBondContact O-N 3.02Å; H415-T418 PolarHBondContact O-N 3.28Å; H415-T418 VanDerWaalsContact O-N 3.08Å; H415-K419 PolarHBondContact O-N 2.98Å; H415-K419 VanDerWaalsContact O-N 3.1Å
416P90.2Very high95.9Very high32 Ų3237.3 Ų37.321%0.20820%0.198CC..Hα-helixtrans-51.5-47.4-178.6-29.735.8000114.2T418 K419 D420P416-T418 VanDerWaalsContact C-N 3.33Å; P416-T418 PolarHBondContact O-N 3.49Å; P416-K419 PolarHBondContact O-N 3.34Å; P416-D420 PolarHBondContact O-N 2.82Å
417I92.9Very high95.9Very high4 Ų441.8 Ų41.82%0.02122%0.219CC..Hα-helixtrans-59.4-42.5178.8-55.8170000111.7R183 M378 M381 L407 H415 K419 D420 L421R183-I417 VanDerWaalsContact O-CD1 3.3Å; R183-I417 WeakPolarHBondContact O-CD1 3.38Å; M378-I417 HydrophobicContact CE-CD1 4.02Å; M378-I417 HydrophobicContact CE-CG2 4.21Å; M378-I417 HydrophobicContact SD-CD1 4.27Å; M378-I417 HydrophobicContact SD-CG2 3.93Å; M381-I417 HydrophobicContact CE-CG2 4.27Å; M381-I417 HydrophobicContact SD-CG2 3.84Å; L407-I417 HydrophobicContact CD2-CB 4.45Å; L407-I417 HydrophobicContact CD2-CG2 3.53Å; H415-I417 VanDerWaalsContact C-N 3.35Å; H415-I417 VanDerWaalsContact CE1-CD1 3.46Å; H415-I417 WeakPolarHBondContact CE1-CD1 3.3Å; H415-I417 PolarHBondContact ND1-N 3.3Å; H415-I417 VanDerWaalsContact ND1-N 3.19Å; H415-I417 PolarHBondContact O-N 3.02Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 3.05Å; I417-D420 PolarHBondContact O-N 2.92Å; I417-L421 VanDerWaalsContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 PolarHBondContact O-N 2.71Å
418T95.6Very high95.9Very high1 Ų141.8 Ų41.81%0.00622%0.219CC..Hα-helixtrans-65.9-37.9179.8-47.60000111.5Y404 M408 H411 G412 H415 P416 L421 E422Y404-T418 HydrophobicContact CD2-CG2 4.29Å; Y404-T418 HydrophobicContact CE2-CG2 3.94Å; M408-T418 HydrophobicContact CG-CG2 4.26Å; M408-T418 HydrophobicContact SD-CG2 3.65Å; H411-T418 WeakPolarHBondContact CB-OG1 3.4Å; G412-T418 WeakPolarHBondContact O-CB 3.31Å; G412-T418 WeakPolarHBondContact O-CG2 3.43Å; G412-T418 PolarHBondContact O-OG1 2.79Å; H415-T418 PolarHBondContact O-N 3.28Å; H415-T418 VanDerWaalsContact O-N 3.08Å; P416-T418 VanDerWaalsContact C-N 3.33Å; P416-T418 PolarHBondContact O-N 3.49Å; T418-L421 PolarHBondContact O-N 3.21Å; T418-E422 WeakPolarHBondContact O-CB 3.49Å; T418-E422 PolarHBondContact O-N 3.34Å
419K94.8Very high95.8Very high104 Ų10440.2 Ų40.245%0.45221%0.211SC..Hα-helixtrans-66.6-44.9175.8-70.9178.41741690112.2T414 H415 P416 I417 L421 E422 A423T414-K419 WeakPolarHBondContact O-CE 3.36Å; T414-K419 PolarHBondContact O-NZ 2.99Å; H415-K419 PolarHBondContact O-N 2.98Å; H415-K419 VanDerWaalsContact O-N 3.1Å; P416-K419 PolarHBondContact O-N 3.34Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 3.05Å; K419-L421 VanDerWaalsContact C-N 3.26Å; K419-L421 PolarHBondContact O-N 3.46Å; K419-E422 WeakPolarHBondContact O-CB 3.34Å; K419-E422 PolarHBondContact O-N 2.89Å; K419-A423 PolarHBondContact O-N 2.91Å
420D94.2Very high95.7Very high93 Ų9345.5 Ų45.550%0.49724%0.236SC..Hα-helixtrans-61.4-41.4175.9-69-16.5000110.2P416 I417 A423 M424P416-D420 PolarHBondContact O-N 2.82Å; I417-D420 PolarHBondContact O-N 2.92Å; D420-A423 WeakPolarHBondContact O-CB 3.4Å; D420-A423 PolarHBondContact O-N 3.34Å; D420-M424 HydrophobicContact CB-CE 4.44Å; D420-M424 WeakPolarHBondContact O-CG 3.24Å; D420-M424 PolarHBondContact O-N 3.43Å
421L96.8Very high95.6Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-67.1-36.1176.9-174.557.7000113.1M381 I400 A403 Y404 L407 I417 T418 K419 A423 M424 R425M381-L421 HydrophobicContact CB-CD1 4.41Å; M381-L421 HydrophobicContact CB-CD2 4.44Å; M381-L421 HydrophobicContact CG-CD1 3.95Å; M381-L421 HydrophobicContact SD-CB 4.36Å; M381-L421 HydrophobicContact SD-CD1 4.16Å; M381-L421 HydrophobicContact SD-CD2 4.18Å; M381-L421 HydrophobicContact SD-CG 4.49Å; I400-L421 HydrophobicContact CB-CD1 4.48Å; I400-L421 HydrophobicContact CG1-CD1 4.45Å; I400-L421 HydrophobicContact CG2-CD1 3.82Å; A403-L421 HydrophobicContact CB-CD2 3.87Å; Y404-L421 HydrophobicContact CD2-CG 4.29Å; L407-L421 HydrophobicContact CB-CD2 4.41Å; L407-L421 HydrophobicContact CD2-CD2 3.8Å; I417-L421 VanDerWaalsContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 PolarHBondContact O-N 2.71Å; T418-L421 PolarHBondContact O-N 3.21Å; K419-L421 VanDerWaalsContact C-N 3.26Å; K419-L421 PolarHBondContact O-N 3.46Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-M424 HydrophobicContact CB-CE 4.3Å; L421-M424 HydrophobicContact CD1-CE 4.07Å; L421-M424 PolarHBondContact O-N 3.38Å; L421-R425 WeakPolarHBondContact O-CB 3.28Å; L421-R425 PolarHBondContact O-N 2.94Å
422E97.8Very high95.5Very high75 Ų7549.7 Ų49.735%0.3526%0.256SS..Hα-helixtrans-60.5-45.1172.1-173.6167.8-138.800111.3Y404 T418 K419 M424 R425 M426Y404-E422 HydrophobicContact CD2-CB 4.41Å; Y404-E422 HydrophobicContact CE2-CB 3.72Å; Y404-E422 HydrophobicContact CE2-CG 4.16Å; Y404-E422 PolarHBondContact OH-OE1 2.88Å; T418-E422 WeakPolarHBondContact O-CB 3.49Å; T418-E422 PolarHBondContact O-N 3.34Å; K419-E422 WeakPolarHBondContact O-CB 3.34Å; K419-E422 PolarHBondContact O-N 2.89Å; E422-M424 VanDerWaalsContact C-N 3.34Å; E422-M424 PolarHBondContact O-N 3.39Å; E422-R425 WeakPolarHBondContact O-CB 3.47Å; E422-R425 PolarHBondContact O-N 3.3Å; E422-M426 WeakPolarHBondContact O-CG 3.41Å; E422-M426 PolarHBondContact O-N 2.93Å
423A97Very high95.3Very high41 Ų4154.6 Ų54.634%0.33928%0.275SS..Hα-helixtrans-61.4-42.5176.100000111.7K419 D420 L421 M426 Q427K419-A423 PolarHBondContact O-N 2.91Å; D420-A423 WeakPolarHBondContact O-CB 3.4Å; D420-A423 PolarHBondContact O-N 3.34Å; L421-A423 VanDerWaalsContact C-N 3.34Å; A423-M426 PolarHBondContact O-N 3.11Å; A423-Q427 WeakPolarHBondContact O-CG 3.36Å; A423-Q427 PolarHBondContact O-N 3.37Å; A423-Q427 VanDerWaalsContact O-N 3.11Å; A423-Q427 PolarHBondContact O-NE2 3.37Å
424M97.9Very high95Very high34 Ų3457.7 Ų57.717%0.16729%0.285CS..Hα-helixtrans-64-38.9174.1-72.2-175.6-80.900112.5M381 V385 W388 D420 L421 E422 Q427 T428M381-M424 HydrophobicContact CE-CE 3.56Å; M381-M424 HydrophobicContact SD-CE 4.42Å; V385-M424 HydrophobicContact CG2-SD 3.64Å; W388-M424 HydrophobicContact CZ3-CG 4.27Å; D420-M424 HydrophobicContact CB-CE 4.44Å; D420-M424 WeakPolarHBondContact O-CG 3.24Å; D420-M424 PolarHBondContact O-N 3.43Å; L421-M424 HydrophobicContact CB-CE 4.3Å; L421-M424 HydrophobicContact CD1-CE 4.07Å; L421-M424 PolarHBondContact O-N 3.38Å; E422-M424 VanDerWaalsContact C-N 3.34Å; E422-M424 PolarHBondContact O-N 3.39Å; M424-Q427 PolarHBondContact O-N 3.1Å; M424-T428 WeakPolarHBondContact O-CG2 3.43Å; M424-T428 PolarHBondContact O-N 3.42Å; M424-T428 PolarHBondContact O-OG1 2.88Å
425R98.2Very high94.9Very high48 Ų4858.3 Ų58.318%0.18128%0.282CS..Hα-helixtrans-61.5-44.9175.9-168.8-168.167.167.82.1111.1I400 L421 E422 T428 E429I400-R425 HydrophobicContact CG2-CB 3.77Å; I400-R425 HydrophobicContact CG2-CG 4.15Å; L421-R425 WeakPolarHBondContact O-CB 3.28Å; L421-R425 PolarHBondContact O-N 2.94Å; E422-R425 WeakPolarHBondContact O-CB 3.47Å; E422-R425 PolarHBondContact O-N 3.3Å; R425-T428 PolarHBondContact O-OG1 3.31Å; R425-T428 VanDerWaalsContact O-OG1 3.12Å; R425-E429 IonicContact CZ-OE2 3.96Å; R425-E429 IonicContact NH1-OE2 3.73Å; R425-E429 PolarHBondContact NH1-OE2 3.25Å; R425-E429 VanDerWaalsContact O-CB 3.29Å; R425-E429 WeakPolarHBondContact O-CB 3.37Å; R425-E429 PolarHBondContact O-N 3.48Å
426M96.8Very high94.6Very high107 Ų10761.3 Ų61.353%0.52730%0.295SS..Hα-helixtrans-62-43.1177.1-69.8177.267.800112E422 A423 E429 M430E422-M426 WeakPolarHBondContact O-CG 3.41Å; E422-M426 PolarHBondContact O-N 2.93Å; A423-M426 PolarHBondContact O-N 3.11Å; M426-E429 PolarHBondContact O-N 3.42Å; M426-M430 WeakPolarHBondContact O-CG 3.44Å; M426-M430 PolarHBondContact O-N 3.13Å
427Q97.6Very high94.4Very high102 Ų10262.1 Ų62.148%0.47730%0.295SS..Hα-helixtrans-64.5-48.3179.2-70.8170.142.100111.7W388 A423 M424 E429 M430 E431W388-Q427 HydrophobicContact CH2-CB 4.04Å; W388-Q427 HydrophobicContact CZ2-CB 4.2Å; A423-Q427 WeakPolarHBondContact O-CG 3.36Å; A423-Q427 PolarHBondContact O-N 3.37Å; A423-Q427 VanDerWaalsContact O-N 3.11Å; A423-Q427 PolarHBondContact O-NE2 3.37Å; M424-Q427 PolarHBondContact O-N 3.1Å; Q427-E429 VanDerWaalsContact C-N 3.31Å; Q427-E429 PolarHBondContact O-N 2.97Å; Q427-M430 PolarHBondContact O-N 2.94Å; Q427-E431 PolarHBondContact O-N 2.92Å
428T97.7Very high94Very high0 Ų066.1 Ų66.10%032%0.317CS..Hα-helixtrans-67.5-30178.9520000113.3W388 I393 H397 I400 M424 R425 L432W388-T428 HydrophobicContact CB-CG2 4.38Å; W388-T428 HydrophobicContact CD2-CG2 3.42Å; W388-T428 VanDerWaalsContact CD2-CG2 3.42Å; W388-T428 HydrophobicContact CE3-CG2 3.77Å; W388-T428 HydrophobicContact CG-CG2 3.71Å; W388-T428 HydrophobicContact CH2-CG2 4.44Å; W388-T428 HydrophobicContact CZ2-CG2 4.15Å; W388-T428 HydrophobicContact CZ3-CG2 4.26Å; I393-T428 HydrophobicContact CD1-CG2 4.06Å; H397-T428 PolarHBondContact ND1-OG1 3.13Å; I400-T428 HydrophobicContact CD1-CG2 3.63Å; M424-T428 WeakPolarHBondContact O-CG2 3.43Å; M424-T428 PolarHBondContact O-N 3.42Å; M424-T428 PolarHBondContact O-OG1 2.88Å; R425-T428 PolarHBondContact O-OG1 3.31Å; R425-T428 VanDerWaalsContact O-OG1 3.12Å; T428-L432 WeakPolarHBondContact O-CB 3.4Å; T428-L432 PolarHBondContact O-N 3.5Å
429E97.1Very high93.4Very high29 Ų2970.5 Ų70.514%0.13634%0.338CS..Hα-helixtrans-64.1-44.7172.7-174.7169.3-170.900111.6H397 R425 M426 Q427 R433 I468H397-E429 PolarHBondContact ND1-N 3.46Å; R425-E429 IonicContact CZ-OE2 3.96Å; R425-E429 IonicContact NH1-OE2 3.73Å; R425-E429 PolarHBondContact NH1-OE2 3.25Å; R425-E429 VanDerWaalsContact O-CB 3.29Å; R425-E429 WeakPolarHBondContact O-CB 3.37Å; R425-E429 PolarHBondContact O-N 3.48Å; M426-E429 PolarHBondContact O-N 3.42Å; Q427-E429 VanDerWaalsContact C-N 3.31Å; Q427-E429 PolarHBondContact O-N 2.97Å; E429-R433 WeakPolarHBondContact O-CB 3.28Å; E429-R433 PolarHBondContact O-N 2.74Å; E429-I468 WeakPolarHBondContact OE1-CG1 3.42Å
430M94.6Very high92.7Very high132 Ų13268.4 Ų68.465%0.6533%0.327SS*.Hα-helixtrans-63-45.4176-69.9179.967.400111.6M426 Q427 R433 M434M426-M430 WeakPolarHBondContact O-CG 3.44Å; M426-M430 PolarHBondContact O-N 3.13Å; Q427-M430 PolarHBondContact O-N 2.94Å; M430-R433 PolarHBondContact O-N 2.8Å; M430-M434 WeakPolarHBondContact O-CG 3.47Å; M430-M434 PolarHBondContact O-N 3.47Å
431E95.9Very high92Very high76 Ų7665.4 Ų65.436%0.35531%0.312SS..Hα-helixtrans-65.5-43.6179.4-170.5178.714400112.1W388 I393 Q427 R433 M434 F435W388-E431 PolarHBondContact NE1-OE2 3.27Å; I393-E431 HydrophobicContact CD1-CB 3.9Å; I393-E431 HydrophobicContact CD1-CG 3.97Å; I393-E431 HydrophobicContact CG1-CB 4.16Å; I393-E431 HydrophobicContact CG1-CG 4.01Å; Q427-E431 PolarHBondContact O-N 2.92Å; E431-R433 VanDerWaalsContact C-N 3.27Å; E431-R433 PolarHBondContact O-N 3.33Å; E431-M434 WeakPolarHBondContact O-CB 3.46Å; E431-M434 PolarHBondContact O-N 2.85Å; E431-M434 VanDerWaalsContact O-N 3.15Å; E431-F435 WeakPolarHBondContact O-CB 3.31Å; E431-F435 PolarHBondContact O-N 2.67Å
432L94.5Very high91.1Very high18 Ų1872.9 Ų72.99%0.09434%0.342CS..Hα-helixtrans-59-41.3174.8177.258000111.4I393 E394 H397 T428 F435 K436I393-L432 HydrophobicContact CG1-CB 3.98Å; I393-L432 HydrophobicContact CG2-CD1 4.34Å; E394-L432 HydrophobicContact CB-CD1 4.41Å; E394-L432 HydrophobicContact CG-CD1 3.71Å; H397-L432 HydrophobicContact CB-CD2 4.16Å; H397-L432 VanDerWaalsContact CD2-CD2 3.44Å; H397-L432 WeakPolarHBondContact CD2-CD2 3.47Å; T428-L432 WeakPolarHBondContact O-CB 3.4Å; T428-L432 PolarHBondContact O-N 3.5Å; L432-F435 HydrophobicContact CD1-CD1 4.46Å; L432-F435 WeakPolarHBondContact O-CB 3.49Å; L432-F435 PolarHBondContact O-N 3.2Å; L432-K436 HydrophobicContact CD1-CG 4.24Å; L432-K436 WeakPolarHBondContact O-CG 3.23Å; L432-K436 PolarHBondContact O-N 3.16Å
433R90.4Very high90.1Very high102 Ų10273.5 Ų73.539%0.38534%0.344SS..Hα-helixtrans-64-42.7176.3-177.9175167-159.2-17.2111.7E429 M430 E431 F435 K436 Q437E429-R433 WeakPolarHBondContact O-CB 3.28Å; E429-R433 PolarHBondContact O-N 2.74Å; M430-R433 PolarHBondContact O-N 2.8Å; E431-R433 VanDerWaalsContact C-N 3.27Å; E431-R433 PolarHBondContact O-N 3.33Å; R433-F435 VanDerWaalsContact C-N 3.34Å; R433-K436 PolarHBondContact O-N 3.43Å; R433-Q437 WeakPolarHBondContact O-CB 3.32Å; R433-Q437 PolarHBondContact O-N 3.06Å
434M90.4Very high89.2Confident137 Ų13771.8 Ų71.868%0.67533%0.33SS*.Hα-helixtrans-61.7-42.8174.6-71.1175.964.300111.7M430 E431 Q437 N438M430-M434 WeakPolarHBondContact O-CG 3.47Å; M430-M434 PolarHBondContact O-N 3.47Å; E431-M434 WeakPolarHBondContact O-CB 3.46Å; E431-M434 PolarHBondContact O-N 2.85Å; E431-M434 VanDerWaalsContact O-N 3.15Å; M434-Q437 WeakPolarHBondContact O-CB 3.42Å; M434-Q437 PolarHBondContact O-N 3.34Å; M434-N438 PolarHBondContact O-N 3.25Å
435F89Confident88.1Confident82 Ų8275 Ų7536%0.3635%0.345SS..Hα-helixtrans-58.2-50.2175.2177-99.4000111.5I393 E394 E431 L432 R433 Q437 N438 E439I393-F435 HydrophobicContact CG2-CB 4.04Å; I393-F435 HydrophobicContact CG2-CD1 4.1Å; I393-F435 HydrophobicContact CG2-CD2 4.24Å; I393-F435 HydrophobicContact CG2-CG 3.86Å; E394-F435 HydrophobicContact CG-CD1 4.41Å; E394-F435 HydrophobicContact CG-CE1 4.17Å; E431-F435 WeakPolarHBondContact O-CB 3.31Å; E431-F435 PolarHBondContact O-N 2.67Å; L432-F435 HydrophobicContact CD1-CD1 4.46Å; L432-F435 WeakPolarHBondContact O-CB 3.49Å; L432-F435 PolarHBondContact O-N 3.2Å; R433-F435 VanDerWaalsContact C-N 3.34Å; F435-Q437 PolarHBondContact O-N 3.18Å; F435-N438 WeakPolarHBondContact O-CB 3.41Å; F435-N438 PolarHBondContact O-N 3.43Å; F435-N438 VanDerWaalsContact O-N 3.17Å; F435-E439 HydrophobicContact CE1-CG 4.32Å; F435-E439 HydrophobicContact CZ-CG 4.4Å; F435-E439 PolarHBondContact O-N 3.08Å; F435-E439 VanDerWaalsContact O-N 3.13Å
436K87.7Confident87.3Confident71 Ų7181.4 Ų81.431%0.30937%0.37SS..Hα-helixtrans-65.1-35.7178.3-70.7-71.3163.7-155.10113.4E394 L432 R433 N438 E439 Y440E394-K436 WeakPolarHBondContact OE1-CE 3.42Å; E394-K436 IonicContact OE1-NZ 3.43Å; E394-K436 PolarHBondContact OE1-NZ 3.48Å; L432-K436 HydrophobicContact CD1-CG 4.24Å; L432-K436 WeakPolarHBondContact O-CG 3.23Å; L432-K436 PolarHBondContact O-N 3.16Å; R433-K436 PolarHBondContact O-N 3.43Å; K436-N438 VanDerWaalsContact C-N 3.31Å; K436-E439 IonicContact NZ-OE2 3.67Å; K436-E439 PolarHBondContact NZ-OE2 2.77Å; K436-E439 PolarHBondContact O-N 3.22Å; K436-Y440 WeakPolarHBondContact O-CB 3.29Å; K436-Y440 PolarHBondContact O-N 2.91Å
437Q85Confident86.5Confident48 Ų4879.6 Ų79.622%0.22436%0.36CS..Hα-helixtrans-60.7-43.6173.3-173.772.120.100111R433 M434 F435 Y440 V441R433-Q437 WeakPolarHBondContact O-CB 3.32Å; R433-Q437 PolarHBondContact O-N 3.06Å; M434-Q437 WeakPolarHBondContact O-CB 3.42Å; M434-Q437 PolarHBondContact O-N 3.34Å; F435-Q437 PolarHBondContact O-N 3.18Å; Q437-Y440 PolarHBondContact O-N 3.43Å; Q437-V441 WeakPolarHBondContact O-CG2 3.11Å; Q437-V441 PolarHBondContact O-N 3.02Å
438N84.9Confident85.6Confident88 Ų8875.6 Ų75.647%0.47135%0.345SS..Hα-helixtrans-63.2-46.5179.7-164.214000111.2M434 F435 K436 Y440 V441 Y442M434-N438 PolarHBondContact O-N 3.25Å; F435-N438 WeakPolarHBondContact O-CB 3.41Å; F435-N438 PolarHBondContact O-N 3.43Å; F435-N438 VanDerWaalsContact O-N 3.17Å; K436-N438 VanDerWaalsContact C-N 3.31Å; N438-Y440 VanDerWaalsContact C-N 3.32Å; N438-Y440 PolarHBondContact O-N 3.48Å; N438-V441 WeakPolarHBondContact O-CB 3.37Å; N438-V441 PolarHBondContact O-N 3.26Å; N438-Y442 VanDerWaalsContact O-CD2 3.3Å; N438-Y442 WeakPolarHBondContact O-CD2 3.37Å; N438-Y442 PolarHBondContact O-N 3.44Å; N438-Y442 WeakPolarHBondContact OD1-CE2 3.4Å
439E82.4Confident84.6Confident94 Ų9479.5 Ų79.544%0.43938%0.377SS..Hα-helixtrans-57.5-43.9174.7-66.7-166.3115.700112.2F435 K436 V441 Y442 H443F435-E439 HydrophobicContact CE1-CG 4.32Å; F435-E439 HydrophobicContact CZ-CG 4.4Å; F435-E439 PolarHBondContact O-N 3.08Å; F435-E439 VanDerWaalsContact O-N 3.13Å; K436-E439 IonicContact NZ-OE2 3.67Å; K436-E439 PolarHBondContact NZ-OE2 2.77Å; K436-E439 PolarHBondContact O-N 3.22Å; E439-V441 VanDerWaalsContact C-N 3.34Å; E439-V441 PolarHBondContact O-N 3.48Å; E439-Y442 PolarHBondContact O-N 2.98Å; E439-H443 PolarHBondContact O-N 3.46Å
440Y81.6Confident83.9Confident60 Ų6084.5 Ų84.524%0.23540%0.404CS..Hα-helixtrans-63.8-38.7178.2-179.2-93.6000112.5K436 Q437 N438 H443 S444 T456 L458K436-Y440 WeakPolarHBondContact O-CB 3.29Å; K436-Y440 PolarHBondContact O-N 2.91Å; Q437-Y440 PolarHBondContact O-N 3.43Å; N438-Y440 VanDerWaalsContact C-N 3.32Å; N438-Y440 PolarHBondContact O-N 3.48Å; Y440-H443 PolarHBondContact O-N 3.24Å; Y440-S444 WeakPolarHBondContact O-CB 3.44Å; Y440-S444 PolarHBondContact O-N 2.85Å; Y440-T456 WeakPolarHBondContact CE1-O 3.23Å; Y440-T456 PolarHBondContact OH-OG1 3.04Å; Y440-L458 VanDerWaalsContact CB-CD1 3.4Å; Y440-L458 HydrophobicContact CD1-CB 4.07Å; Y440-L458 HydrophobicContact CD1-CD1 3.79Å; Y440-L458 HydrophobicContact CD1-CG 3.66Å; Y440-L458 HydrophobicContact CD2-CD1 3.89Å; Y440-L458 HydrophobicContact CD2-CG 3.96Å; Y440-L458 HydrophobicContact CE1-CB 4.31Å; Y440-L458 HydrophobicContact CE1-CG 3.97Å; Y440-L458 HydrophobicContact CE2-CG 4.24Å; Y440-L458 HydrophobicContact CG-CD1 3.4Å; Y440-L458 HydrophobicContact CG-CG 3.66Å
441V78.8Confident83.3Confident30 Ų3084.1 Ų84.118%0.18240%0.398CS..Hα-helixtrans-58.5-49.9175.3157.90000110.6Q437 N438 E439 H443 S444 M445 M455 M457Q437-V441 WeakPolarHBondContact O-CG2 3.11Å; Q437-V441 PolarHBondContact O-N 3.02Å; N438-V441 WeakPolarHBondContact O-CB 3.37Å; N438-V441 PolarHBondContact O-N 3.26Å; E439-V441 VanDerWaalsContact C-N 3.34Å; E439-V441 PolarHBondContact O-N 3.48Å; V441-H443 VanDerWaalsContact C-N 3.33Å; V441-H443 PolarHBondContact O-N 3.02Å; V441-S444 PolarHBondContact O-N 3.29Å; V441-M445 HydrophobicContact CG1-SD 4.08Å; V441-M445 WeakPolarHBondContact O-CB 3.35Å; V441-M445 VanDerWaalsContact O-CG 3.28Å; V441-M445 WeakPolarHBondContact O-CG 3.2Å; V441-M445 PolarHBondContact O-N 3.04Å; V441-M455 HydrophobicContact CB-CE 3.86Å; V441-M455 HydrophobicContact CG1-CE 3.52Å; V441-M455 HydrophobicContact CG2-CE 3.72Å; V441-M457 HydrophobicContact CG2-CE 4.27Å; V441-M457 HydrophobicContact CG2-SD 3.74Å
442Y77.9Confident82.5Confident157 Ų15788.1 Ų88.162%0.61642%0.422SS*.Hα-helixtrans-60.5-41.2176.4-80.3-76.7000112.5N438 E439 M445 R446N438-Y442 VanDerWaalsContact O-CD2 3.3Å; N438-Y442 WeakPolarHBondContact O-CD2 3.37Å; N438-Y442 PolarHBondContact O-N 3.44Å; N438-Y442 WeakPolarHBondContact OD1-CE2 3.4Å; E439-Y442 PolarHBondContact O-N 2.98Å; Y442-M445 PolarHBondContact O-N 3.4Å; Y442-R446 PolarHBondContact O-N 2.9Å
443H76.9Confident81.6Confident87 Ų8794.1 Ų94.140%0.40345%0.448SS..Hα-helixtrans-63.3-46.9175.2-176.6-80.9000111.9E439 Y440 V441 M445 R446 E447E439-H443 PolarHBondContact O-N 3.46Å; Y440-H443 PolarHBondContact O-N 3.24Å; V441-H443 VanDerWaalsContact C-N 3.33Å; V441-H443 PolarHBondContact O-N 3.02Å; H443-M445 VanDerWaalsContact C-N 3.3Å; H443-M445 PolarHBondContact O-N 3.15Å; H443-R446 PolarHBondContact O-N 3.22Å; H443-E447 IonicContact CE1-OE1 2.96Å; H443-E447 IonicContact CE1-OE2 3.98Å; H443-E447 PolarHBondContact CE1-OE2 3Å; H443-E447 IonicContact ND1-OE2 3.94Å; H443-E447 PolarHBondContact O-N 3.37Å
444S77.7Confident80.5Confident5 Ų594.8 Ų94.84%0.03547%0.465CS..Hα-helixtrans-64.1-35.7178.3-1760000111.6Y440 V441 A448 M455 T456Y440-S444 WeakPolarHBondContact O-CB 3.44Å; Y440-S444 PolarHBondContact O-N 2.85Å; V441-S444 PolarHBondContact O-N 3.29Å; S444-A448 WeakPolarHBondContact O-CB 3.32Å; S444-A448 PolarHBondContact O-N 2.9Å; S444-M455 WeakPolarHBondContact OG-CG 3.43Å; S444-T456 PolarHBondContact OG-N 2.88Å; S444-T456 PolarHBondContact OG-O 3.23Å; S444-T456 PolarHBondContact OG-OG1 3.38Å
445M76.1Confident79.2Confident101 Ų10192.2 Ų92.250%0.49845%0.452SS..Hα-helixtrans-63.6-44.8173.4-73.3177.372.500111.1V441 Y442 H443 A448 A449 M455V441-M445 HydrophobicContact CG1-SD 4.08Å; V441-M445 WeakPolarHBondContact O-CB 3.35Å; V441-M445 VanDerWaalsContact O-CG 3.28Å; V441-M445 WeakPolarHBondContact O-CG 3.2Å; V441-M445 PolarHBondContact O-N 3.04Å; Y442-M445 PolarHBondContact O-N 3.4Å; H443-M445 VanDerWaalsContact C-N 3.3Å; H443-M445 PolarHBondContact O-N 3.15Å; M445-A448 PolarHBondContact O-N 2.81Å; M445-A449 WeakPolarHBondContact O-CB 3.31Å; M445-A449 PolarHBondContact O-N 3.24Å; M445-M455 HydrophobicContact CG-CE 4.14Å; M445-M455 HydrophobicContact CG-SD 3.85Å
446R80.3Confident78.1Confident183 Ų18392 Ų9269%0.69146%0.458SS*.Hα-helixtrans-62.8-44.7176.7-173.3178.1179.6176.9-0111.8Y442 H443 A449 L450Y442-R446 PolarHBondContact O-N 2.9Å; H443-R446 PolarHBondContact O-N 3.22Å; R446-A449 PolarHBondContact O-N 3.3Å; R446-L450 HydrophobicContact CG-CD1 4.09Å; R446-L450 WeakPolarHBondContact O-CB 3.42Å; R446-L450 VanDerWaalsContact O-CG 3.27Å; R446-L450 WeakPolarHBondContact O-CG 3.47Å; R446-L450 PolarHBondContact O-N 3.24Å
447E80Confident76.9Confident69 Ų6994 Ų9432%0.32247%0.47SS..Hα-helixtrans-66.8-41176.8-77.8-157.6118.300112.9H443 A449 L450 K451H443-E447 IonicContact CE1-OE1 2.96Å; H443-E447 IonicContact CE1-OE2 3.98Å; H443-E447 PolarHBondContact CE1-OE2 3Å; H443-E447 IonicContact ND1-OE2 3.94Å; H443-E447 PolarHBondContact O-N 3.37Å; E447-A449 VanDerWaalsContact C-N 3.31Å; E447-A449 PolarHBondContact O-N 2.75Å; E447-L450 PolarHBondContact O-N 3.37Å; E447-K451 VanDerWaalsContact O-CB 3.29Å; E447-K451 WeakPolarHBondContact O-CB 3.33Å; E447-K451 PolarHBondContact O-N 3.48Å; E447-K451 IonicContact OE1-NZ 2.7Å; E447-K451 PolarHBondContact OE1-NZ 2.75Å
448A79.4Confident75.8Confident19 Ų1995.5 Ų95.516%0.15748%0.479CS..Hα-helixtrans-58-45.1174.400000111S444 M445 N452 K453S444-A448 WeakPolarHBondContact O-CB 3.32Å; S444-A448 PolarHBondContact O-N 2.9Å; M445-A448 PolarHBondContact O-N 2.81Å; A448-N452 VanDerWaalsContact O-CA 3.29Å; A448-N452 WeakPolarHBondContact O-CA 3.24Å; A448-N452 PolarHBondContact O-N 2.85Å; A448-K453 WeakPolarHBondContact CA-O 3.41Å; A448-K453 WeakPolarHBondContact CB-O 3.4Å; A448-K453 PolarHBondContact O-N 3.38Å
449A76.9Confident74.7Confident82 Ų8299.6 Ų99.668%0.67850%0.495SS*.Hα-helixtrans-64-41.1175.600000112.7M445 R446 E447M445-A449 WeakPolarHBondContact O-CB 3.31Å; M445-A449 PolarHBondContact O-N 3.24Å; R446-A449 PolarHBondContact O-N 3.3Å; E447-A449 VanDerWaalsContact C-N 3.31Å; E447-A449 PolarHBondContact O-N 2.75Å
450L81Confident73.4Confident134 Ų134103 Ų10370%0.70251%0.511SS*.Hα-helixtrans-73.9-33.1179.7-72.2171000113.6R446 E447R446-L450 HydrophobicContact CG-CD1 4.09Å; R446-L450 WeakPolarHBondContact O-CB 3.42Å; R446-L450 VanDerWaalsContact O-CG 3.27Å; R446-L450 WeakPolarHBondContact O-CG 3.47Å; R446-L450 PolarHBondContact O-N 3.24Å; E447-L450 PolarHBondContact O-N 3.37Å
451K83.1Confident72.2Confident123 Ų123101.4 Ų101.454%0.53551%0.508SS..Hα-helixtrans-105.6-0.3-172.9-64.3173.9177.31670113.5E447 K453E447-K451 VanDerWaalsContact O-CB 3.29Å; E447-K451 WeakPolarHBondContact O-CB 3.33Å; E447-K451 PolarHBondContact O-N 3.48Å; E447-K451 IonicContact OE1-NZ 2.7Å; E447-K451 PolarHBondContact OE1-NZ 2.75Å; K451-K453 VanDerWaalsContact C-N 3.26Å; K451-K453 HydrophobicContact CB-CD 4.47Å; K451-K453 HydrophobicContact CB-CG 4.37Å; K451-K453 PolarHBondContact O-N 2.87Å
452N77.8Confident71Confident160 Ų160109.5 Ų109.586%0.85654%0.54SS*.THydrogen-bonded Turntrans51.542.8-175.5-14517.5000113A448A448-N452 VanDerWaalsContact O-CA 3.29Å; A448-N452 WeakPolarHBondContact O-CA 3.24Å; A448-N452 PolarHBondContact O-N 2.85Å
453K77Confident69.8Low145 Ų145104.6 Ų104.663%0.6353%0.529SS*.  trans-117.3153.8-179.2-74.7-174.6-178.5-174.90110.7A448 K451A448-K453 WeakPolarHBondContact CA-O 3.41Å; A448-K453 WeakPolarHBondContact CB-O 3.4Å; A448-K453 PolarHBondContact O-N 3.38Å; K451-K453 VanDerWaalsContact C-N 3.26Å; K451-K453 HydrophobicContact CB-CD 4.47Å; K451-K453 HydrophobicContact CB-CG 4.37Å; K451-K453 PolarHBondContact O-N 2.87Å
454P66.8Low68.6Low116 Ų116105.5 Ų105.575%0.75354%0.541SS*.  trans-64148.4174.325.2-32.1000111.7
455M63Low67.2Low82 Ų82112.4 Ų112.440%0.40457%0.572SS.*  trans-65147.3179.6-173.8-174.4167.600111.5V441 S444 M445 M457V441-M455 HydrophobicContact CB-CE 3.86Å; V441-M455 HydrophobicContact CG1-CE 3.52Å; V441-M455 HydrophobicContact CG2-CE 3.72Å; S444-M455 WeakPolarHBondContact OG-CG 3.43Å; M445-M455 HydrophobicContact CG-CE 4.14Å; M445-M455 HydrophobicContact CG-SD 3.85Å; M455-M457 HydrophobicContact CE-SD 3.75Å
456T64.9Low65.9Low78 Ų78111.6 Ų111.648%0.47957%0.567SS.*  trans-118145.2174.255.40000110.3Y440 S444Y440-T456 WeakPolarHBondContact CE1-O 3.23Å; Y440-T456 PolarHBondContact OH-OG1 3.04Å; S444-T456 PolarHBondContact OG-N 2.88Å; S444-T456 PolarHBondContact OG-O 3.23Å; S444-T456 PolarHBondContact OG-OG1 3.38Å
457M63.5Low64.7Low113 Ų113103.3 Ų103.356%0.55754%0.539SS*.  trans-105.4142.9175.1-65.9-72-84.400109.4V441 M455 H459V441-M457 HydrophobicContact CG2-CE 4.27Å; V441-M457 HydrophobicContact CG2-SD 3.74Å; M455-M457 HydrophobicContact CE-SD 3.75Å; M457-H459 PolarHBondContact O-N 2.82Å
458L61.2Low63.3Low79 Ų79103.1 Ų103.141%0.41454%0.54SS..PPolyproline II helixtrans-56.8130167.6-99.2160.4000108.8Y440Y440-L458 VanDerWaalsContact CB-CD1 3.4Å; Y440-L458 HydrophobicContact CD1-CB 4.07Å; Y440-L458 HydrophobicContact CD1-CD1 3.79Å; Y440-L458 HydrophobicContact CD1-CG 3.66Å; Y440-L458 HydrophobicContact CD2-CD1 3.89Å; Y440-L458 HydrophobicContact CD2-CG 3.96Å; Y440-L458 HydrophobicContact CE1-CB 4.31Å; Y440-L458 HydrophobicContact CE1-CG 3.97Å; Y440-L458 HydrophobicContact CE2-CG 4.24Å; Y440-L458 HydrophobicContact CG-CD1 3.4Å; Y440-L458 HydrophobicContact CG-CG 3.66Å
459H63.1Low62Low175 Ų175109.8 Ų109.881%0.8157%0.565SS**PPolyproline II helixtrans-67.2140.3178.4-86.322.1000111M457M457-H459 PolarHBondContact O-N 2.82Å
460E55.4Low60.9Low166 Ų166110.6 Ų110.678%0.77656%0.558SS**PPolyproline II helixtrans-65.8126.5167.4-69.3-172.2149.500109.4
461P55.8Low59.3Low26 Ų26107.5 Ų107.517%0.16954%0.542CS..PPolyproline II helixtrans-61.2140.1170.7-10.324.2000108.9S463 E466P461-S463 PolarHBondContact O-N 3.29Å; P461-E466 HydrophobicContact CB-CB 4.08Å; P461-E466 HydrophobicContact CB-CG 4.33Å
462K53.9Low57.5Low199 Ų199109.4 Ų109.487%0.86555%0.55SS**SBendtrans-77.1-8.6-179.2-61.2-179.9-174.5179.20112.2E466K462-E466 WeakPolarHBondContact CB-OE2 3.28Å; K462-E466 PolarHBondContact N-OE2 3.32Å
463S52.1Low55.8Low55 Ų55109.1 Ų109.139%0.38554%0.544SS..SBendtrans-153.5161.2177.466.70000112.4P461 E465 E466 G467P461-S463 PolarHBondContact O-N 3.29Å; S463-E465 VanDerWaalsContact C-N 3.3Å; S463-E465 PolarHBondContact O-N 2.8Å; S463-E466 PolarHBondContact O-N 3.04Å; S463-E466 WeakPolarHBondContact OG-CB 3.39Å; S463-E466 PolarHBondContact OG-N 3.35Å; S463-G467 PolarHBondContact O-N 3.45Å; S463-G467 VanDerWaalsContact O-N 3.13Å
464V51Low53.9Low106 Ų106113.4 Ų113.464%0.64256%0.556SS**Hα-helixtrans-60-40.1175.6178.10000111.3E466 G467 I468V464-E466 VanDerWaalsContact C-N 3.35Å; V464-E466 PolarHBondContact O-N 3.19Å; V464-G467 PolarHBondContact O-N 3.21Å; V464-G467 VanDerWaalsContact O-N 3.15Å; V464-I468 HydrophobicContact CG1-CD1 4.26Å; V464-I468 WeakPolarHBondContact O-CG1 3.27Å; V464-I468 PolarHBondContact O-N 3.25Å
465E49.1Very low52.3Low149 Ų149118 Ų11870%0.69656%0.558SS**Hα-helixtrans-65.6-35.2179.6-68.7162.1165.700112.9S463 K469S463-E465 VanDerWaalsContact C-N 3.3Å; S463-E465 PolarHBondContact O-N 2.8Å; E465-K469 PolarHBondContact O-N 3.45Å
466E48.6Very low50.8Low84 Ų84127.3 Ų127.339%0.39360%0.596SS.*Hα-helixtrans-71.7-34174-164.8175.4-156.100111.4P461 K462 S463 V464 N470P461-E466 HydrophobicContact CB-CB 4.08Å; P461-E466 HydrophobicContact CB-CG 4.33Å; K462-E466 WeakPolarHBondContact CB-OE2 3.28Å; K462-E466 PolarHBondContact N-OE2 3.32Å; S463-E466 PolarHBondContact O-N 3.04Å; S463-E466 WeakPolarHBondContact OG-CB 3.39Å; S463-E466 PolarHBondContact OG-N 3.35Å; V464-E466 VanDerWaalsContact C-N 3.35Å; V464-E466 PolarHBondContact O-N 3.19Å; E466-N470 VanDerWaalsContact O-CG 3.27Å; E466-N470 PolarHBondContact O-N 3.39Å; E466-N470 PolarHBondContact O-ND2 3.36Å; E466-N470 VanDerWaalsContact O-ND2 3.15Å
467G54.2Low50.1Low10 Ų10129.8 Ų129.810%0.10360%0.602CS.*Hα-helixtrans-61.5-45.3172.300000112.9S463 V464 N470 L471S463-G467 PolarHBondContact O-N 3.45Å; S463-G467 VanDerWaalsContact O-N 3.13Å; V464-G467 PolarHBondContact O-N 3.21Å; V464-G467 VanDerWaalsContact O-N 3.15Å; G467-N470 PolarHBondContact O-N 3.22Å; G467-L471 WeakPolarHBondContact O-CG 2.88Å; G467-L471 PolarHBondContact O-N 3.03Å
468I51.5Low49.4Very low65 Ų65130.6 Ų130.633%0.33361%0.605SS.*Hα-helixtrans-61.4-47.4177.9-67.9168.7000110.9E429 V464 N470 L471 F472E429-I468 WeakPolarHBondContact OE1-CG1 3.42Å; V464-I468 HydrophobicContact CG1-CD1 4.26Å; V464-I468 WeakPolarHBondContact O-CG1 3.27Å; V464-I468 PolarHBondContact O-N 3.25Å; I468-N470 VanDerWaalsContact C-N 3.29Å; I468-N470 PolarHBondContact O-N 3.25Å; I468-L471 PolarHBondContact O-N 2.95Å; I468-F472 HydrophobicContact CG2-CD2 4.34Å; I468-F472 HydrophobicContact CG2-CE2 4.1Å; I468-F472 WeakPolarHBondContact O-CD2 3.39Å
469K51.8Low48.8Very low158 Ų158133.5 Ų133.569%0.68762%0.615SS**Hα-helixtrans-61.5-36.4179.4-75.2-179.5-179.6174.60113E465 L471E465-K469 PolarHBondContact O-N 3.45Å; K469-L471 VanDerWaalsContact C-N 3.33Å; K469-L471 PolarHBondContact O-N 2.83Å
470N53Low47.9Very low100 Ų100131.1 Ų131.154%0.53560%0.604SS.*Hα-helixtrans-73.6-22.2-178.8-71.5-24.7000113.6E466 G467 I468E466-N470 VanDerWaalsContact O-CG 3.27Å; E466-N470 PolarHBondContact O-N 3.39Å; E466-N470 PolarHBondContact O-ND2 3.36Å; E466-N470 VanDerWaalsContact O-ND2 3.15Å; G467-N470 PolarHBondContact O-N 3.22Å; I468-N470 VanDerWaalsContact C-N 3.29Å; I468-N470 PolarHBondContact O-N 3.25Å
471L49.1Very low47.5Very low69 Ų69128.9 Ų128.936%0.36159%0.593SS.*Hα-helixtrans-75.8-25.9178.2-75.9161.6000113.6G467 I468 K469G467-L471 WeakPolarHBondContact O-CG 2.88Å; G467-L471 PolarHBondContact O-N 3.03Å; I468-L471 PolarHBondContact O-N 2.95Å; K469-L471 VanDerWaalsContact C-N 3.33Å; K469-L471 PolarHBondContact O-N 2.83Å
472F44.4Very low46.9Very low162 Ų162135.7 Ų135.771%0.71162%0.621SS**SBendtrans-103.85.8-173.4-65.4-71.9000115.1I468 R474I468-F472 HydrophobicContact CG2-CD2 4.34Å; I468-F472 HydrophobicContact CG2-CE2 4.1Å; I468-F472 WeakPolarHBondContact O-CD2 3.39Å; F472-R474 PolarHBondContact O-N 3.2Å
473H41.2Very low46.4Very low155 Ų155131.2 Ų131.272%0.71860%0.604SS**  trans-71.199.2172.2-94.5-42000110.9R475H473-R475 PolarHBondContact O-N 2.94Å; H473-R475 VanDerWaalsContact O-N 3.15Å
474R37.1Very low46Very low234 Ų234137.1 Ų137.188%0.88362%0.621SS**  trans-55.5116.4156.9-84.7-175.4173.2-179.2-1.9107.7F472 K476F472-R474 PolarHBondContact O-N 3.2Å; R474-K476 PolarHBondContact O-N 3.49Å
475R35.2Very low45.5Very low212 Ų212139.7 Ų139.780%0.862%0.619SS**  trans-56.3124.9163.9-75.7-177.1174.7179.8-1.5107.5H473H473-R475 PolarHBondContact O-N 2.94Å; H473-R475 VanDerWaalsContact O-N 3.15Å
476K31.1Very low45.2Very low278 Ų278138.8 Ų138.8100%1.20961%0.612SS**  trans-62.80164.4-87.5-173.1175.4-178.70110.3R474R474-K476 PolarHBondContact O-N 3.49Å

Retrieved 476 of 476 residues in 450.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).