A0A087YIN6_POEFO Loading...

ADP-ribosylation factor GTPase-activating protein 2

AlphaFold DB , UniProt , Accession A0A087YIN6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.5Very low81.3Confident243 Ų243102.8 Ų102.8100%1.19754%0.538SS*.  0146.20-65.5165.4-179.400107.3
2A55.8Low82.2Confident88 Ų88100.1 Ų100.173%0.72753%0.529SS*.PPolyproline II helixtrans-70.9136.9170.900000109
3M78.3Confident83Confident143 Ų14392.5 Ų92.570%0.70449%0.489SS*.PPolyproline II helixtrans-70.8131176-70.7172.461.400109.6W74M3-W74 PolarHBondContact O-NE1 2.92Å
4E84.4Confident83.8Confident170 Ų17086.2 Ų86.279%0.79446%0.456SS*.PPolyproline II helixtrans-71.3146171.7-60.7-166.1142.800110.2
5P87.4Confident84.4Confident13 Ų1391.9 Ų91.98%0.08448%0.475CS..PPolyproline II helixtrans-68.1137.4-178.827.7-33.4000111.2I10 W72 W74 L77P5-I10 HydrophobicContact CB-CD1 4.39Å; P5-I10 HydrophobicContact CB-CG1 4.01Å; P5-I10 HydrophobicContact CG-CD1 4.16Å; P5-I10 HydrophobicContact CG-CG1 4.13Å; P5-W72 VanDerWaalsContact CD-O 3.28Å; P5-W72 WeakPolarHBondContact CD-O 3.36Å; P5-W72 WeakPolarHBondContact CG-O 3.2Å; P5-W74 HydrophobicContact CB-CD2 4.04Å; P5-W74 HydrophobicContact CB-CG 4.44Å; P5-W74 HydrophobicContact CB-CH2 4.38Å; P5-W74 HydrophobicContact CB-CZ2 3.78Å; P5-W74 HydrophobicContact CG-CG 4.5Å; P5-L77 HydrophobicContact CB-CD1 3.67Å; P5-L77 HydrophobicContact CG-CD1 3.73Å
6N90.1Very high84.9Confident97 Ų9790.8 Ų90.852%0.51946%0.463SS..PPolyproline II helixtrans-71.6149.6178.6-168-11.1000110.9T8 E9 I10N6-T8 PolarHBondContact ND2-OG1 2.84Å; N6-T8 PolarHBondContact O-N 3.19Å; N6-T8 VanDerWaalsContact O-N 3.14Å; N6-E9 HydrophobicContact CB-CG 4.05Å; N6-E9 WeakPolarHBondContact CB-OE2 3.35Å; N6-E9 PolarHBondContact N-OE2 3.22Å; N6-E9 WeakPolarHBondContact O-CB 3.35Å; N6-E9 PolarHBondContact O-N 3.5Å; N6-I10 WeakPolarHBondContact O-CG1 3.1Å; N6-I10 PolarHBondContact O-N 3.41Å
7K89.7Confident85.4Confident139 Ų13986.5 Ų86.560%0.60444%0.441SS*.Hα-helixtrans-54.6-34.4178.1-173.2171.6-178.9173.30112.5L11K7-L11 HydrophobicContact CG-CD1 4.15Å; K7-L11 WeakPolarHBondContact O-CB 3.48Å; K7-L11 WeakPolarHBondContact O-CD1 3.21Å; K7-L11 VanDerWaalsContact O-CG 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.3Å; K7-L11 PolarHBondContact O-N 3.25Å; K7-L11 VanDerWaalsContact O-N 3.1Å
8T90.1Very high85.8Confident86 Ų8685.2 Ų85.253%0.52843%0.43SS..Hα-helixtrans-66.3-39.4174.548.20000112.9N6 T12N6-T8 PolarHBondContact ND2-OG1 2.84Å; N6-T8 PolarHBondContact O-N 3.19Å; N6-T8 VanDerWaalsContact O-N 3.14Å; T8-T12 WeakPolarHBondContact O-CB 3.46Å; T8-T12 PolarHBondContact O-N 2.93Å; T8-T12 PolarHBondContact O-OG1 3.09Å
9E90.7Very high86.1Confident57 Ų5784.1 Ų84.127%0.26643%0.431SS..Hα-helixtrans-70.3-46.7178.9-60.1174.4134.800110.7N6 L11 T12 I13 L133N6-E9 HydrophobicContact CB-CG 4.05Å; N6-E9 WeakPolarHBondContact CB-OE2 3.35Å; N6-E9 PolarHBondContact N-OE2 3.22Å; N6-E9 WeakPolarHBondContact O-CB 3.35Å; N6-E9 PolarHBondContact O-N 3.5Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 2.69Å; E9-T12 PolarHBondContact O-N 3.03Å; E9-T12 VanDerWaalsContact O-N 3.14Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.28Å; E9-L133 HydrophobicContact CB-CD1 3.74Å; E9-L133 HydrophobicContact CG-CD1 3.99Å
10I92.3Very high86.5Confident7 Ų782.7 Ų82.74%0.03642%0.424CS..Hα-helixtrans-53.2-52174.3-64.4166000110.3P5 N6 T12 I13 F14 S70 W72 L77P5-I10 HydrophobicContact CB-CD1 4.39Å; P5-I10 HydrophobicContact CB-CG1 4.01Å; P5-I10 HydrophobicContact CG-CD1 4.16Å; P5-I10 HydrophobicContact CG-CG1 4.13Å; N6-I10 WeakPolarHBondContact O-CG1 3.1Å; N6-I10 PolarHBondContact O-N 3.41Å; I10-T12 VanDerWaalsContact C-N 3.35Å; I10-T12 PolarHBondContact O-N 3.19Å; I10-I13 PolarHBondContact O-N 3.28Å; I10-F14 HydrophobicContact CG2-CD2 3.76Å; I10-F14 HydrophobicContact CG2-CE2 3.75Å; I10-F14 VanDerWaalsContact O-CD2 3.28Å; I10-F14 WeakPolarHBondContact O-CD2 3.36Å; I10-F14 PolarHBondContact O-N 3Å; I10-S70 VanDerWaalsContact CD1-O 3.27Å; I10-S70 WeakPolarHBondContact CD1-O 3.31Å; I10-W72 HydrophobicContact CD1-CB 3.97Å; I10-W72 HydrophobicContact CG1-CB 4.23Å; I10-W72 HydrophobicContact CG2-CG 4.26Å; I10-L77 HydrophobicContact CG1-CD1 4.16Å; I10-L77 HydrophobicContact CG2-CD2 4.48Å
11L91.6Very high86.8Confident88 Ų8883.5 Ų83.546%0.46143%0.434SS..Hα-helixtrans-65.1-36.2179.1-71.5171.2000112.5K7 E9 K15K7-L11 HydrophobicContact CG-CD1 4.15Å; K7-L11 WeakPolarHBondContact O-CB 3.48Å; K7-L11 WeakPolarHBondContact O-CD1 3.21Å; K7-L11 VanDerWaalsContact O-CG 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.3Å; K7-L11 PolarHBondContact O-N 3.25Å; K7-L11 VanDerWaalsContact O-N 3.1Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 2.69Å; L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 PolarHBondContact O-N 3.08Å
12T92Very high89.2Confident70 Ų7075 Ų7543%0.42940%0.396SS..Hα-helixtrans-67.5-43.4177.5-60.30000111.5T8 E9 I10 K15 R16 I135T8-T12 WeakPolarHBondContact O-CB 3.46Å; T8-T12 PolarHBondContact O-N 2.93Å; T8-T12 PolarHBondContact O-OG1 3.09Å; E9-T12 PolarHBondContact O-N 3.03Å; E9-T12 VanDerWaalsContact O-N 3.14Å; I10-T12 VanDerWaalsContact C-N 3.35Å; I10-T12 PolarHBondContact O-N 3.19Å; T12-K15 PolarHBondContact O-N 3.02Å; T12-R16 PolarHBondContact O-N 3.19Å; T12-R16 VanDerWaalsContact O-N 3.08Å; T12-I135 HydrophobicContact CG2-CD1 3.94Å
13I92.5Very high91Very high2 Ų271 Ų711%0.0136%0.363CS..Hα-helixtrans-61.6-49.5174.9-69.3165.2000110.2E9 I10 K15 R16 L17 W74 L77 Q81 L133 I135E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.28Å; I10-I13 PolarHBondContact O-N 3.28Å; I13-K15 PolarHBondContact O-N 3.49Å; I13-R16 PolarHBondContact O-N 3.18Å; I13-L17 HydrophobicContact CG2-CD1 3.78Å; I13-L17 HydrophobicContact CG2-CG 4.3Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.19Å; I13-W74 HydrophobicContact CD1-CZ3 4.18Å; I13-L77 HydrophobicContact CD1-CD1 4.03Å; I13-Q81 HydrophobicContact CG2-CG 4.07Å; I13-L133 HydrophobicContact CD1-CD1 4.05Å; I13-L133 HydrophobicContact CG1-CD1 4.08Å; I13-I135 HydrophobicContact CG1-CD1 3.92Å; I13-I135 HydrophobicContact CG1-CG1 4.25Å
14F94.1Very high91.8Very high4 Ų468.7 Ų68.72%0.01835%0.348CS..Hα-helixtrans-68.6-34.7179.5-74.9-54.8000113.8I10 R16 L17 R18 F44 T66 W72 L77 M80I10-F14 HydrophobicContact CG2-CD2 3.76Å; I10-F14 HydrophobicContact CG2-CE2 3.75Å; I10-F14 VanDerWaalsContact O-CD2 3.28Å; I10-F14 WeakPolarHBondContact O-CD2 3.36Å; I10-F14 PolarHBondContact O-N 3Å; F14-R16 VanDerWaalsContact C-N 3.27Å; F14-R16 PolarHBondContact O-N 3.39Å; F14-L17 HydrophobicContact CD1-CD1 4.39Å; F14-L17 PolarHBondContact O-N 3.5Å; F14-R18 WeakPolarHBondContact O-CB 3.33Å; F14-R18 WeakPolarHBondContact O-CG 3.46Å; F14-R18 PolarHBondContact O-N 2.94Å; F14-F44 HydrophobicContact CD1-CE1 4.01Å; F14-F44 HydrophobicContact CD1-CZ 4.19Å; F14-F44 HydrophobicContact CE1-CE1 4.33Å; F14-F44 HydrophobicContact CE1-CZ 4.43Å; F14-T66 HydrophobicContact CD1-CG2 3.66Å; F14-T66 HydrophobicContact CD2-CG2 4.38Å; F14-T66 HydrophobicContact CE1-CG2 3.55Å; F14-T66 HydrophobicContact CE2-CG2 4.27Å; F14-T66 HydrophobicContact CG-CG2 4.11Å; F14-T66 HydrophobicContact CZ-CG2 3.89Å; F14-W72 HydrophobicContact CE1-CH2 4.29Å; F14-W72 AromaticContact CE2-CD2 3.92Å; F14-W72 HydrophobicContact CE2-CD2 3.92Å; F14-W72 AromaticContact CE2-CE2 3.67Å; F14-W72 HydrophobicContact CE2-CE3 4.25Å; F14-W72 HydrophobicContact CE2-CG 4.44Å; F14-W72 HydrophobicContact CE2-CH2 4.22Å; F14-W72 AromaticContact CE2-CZ2 3.85Å; F14-W72 HydrophobicContact CE2-CZ2 3.85Å; F14-W72 HydrophobicContact CE2-CZ3 4.38Å; F14-W72 AromaticContact CZ-CD2 3.98Å; F14-W72 HydrophobicContact CZ-CD2 3.98Å; F14-W72 AromaticContact CZ-CE2 3.79Å; F14-W72 AromaticContact CZ-CE3 3.87Å; F14-W72 HydrophobicContact CZ-CE3 3.87Å; F14-W72 AromaticContact CZ-CH2 3.47Å; F14-W72 HydrophobicContact CZ-CH2 3.47Å; F14-W72 VanDerWaalsContact CZ-CH2 3.47Å; F14-W72 AromaticContact CZ-CZ2 3.55Å; F14-W72 HydrophobicContact CZ-CZ2 3.55Å; F14-W72 AromaticContact CZ-CZ3 3.61Å; F14-W72 HydrophobicContact CZ-CZ3 3.61Å; F14-L77 HydrophobicContact CE2-CD2 3.87Å; F14-L77 HydrophobicContact CZ-CD2 3.96Å; F14-M80 HydrophobicContact CE1-CB 4.19Å; F14-M80 HydrophobicContact CE1-CG 4.01Å; F14-M80 HydrophobicContact CZ-CG 4.31Å
15K92.9Very high92.4Very high172 Ų17262.3 Ų62.375%0.74833%0.325SS*.Hα-helixtrans-58.8-39.6171.6-177.5178.6179.8-178.40111.3L11 T12 I13 S19L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 PolarHBondContact O-N 3.08Å; T12-K15 PolarHBondContact O-N 3.02Å; I13-K15 PolarHBondContact O-N 3.49Å; K15-S19 PolarHBondContact O-N 3.45Å
16R92.1Very high92.8Very high74 Ų7461.9 Ų61.928%0.27932%0.322SS..Hα-helixtrans-71.1-50.2173.9-174.2172.7-175112.429.5112.2T12 I13 F14 R18 S19 I135 D136 S137T12-R16 PolarHBondContact O-N 3.19Å; T12-R16 VanDerWaalsContact O-N 3.08Å; I13-R16 PolarHBondContact O-N 3.18Å; F14-R16 VanDerWaalsContact C-N 3.27Å; F14-R16 PolarHBondContact O-N 3.39Å; R16-R18 VanDerWaalsContact C-N 3.26Å; R16-R18 PolarHBondContact O-N 3.36Å; R16-S19 WeakPolarHBondContact O-CB 3.24Å; R16-S19 PolarHBondContact O-N 3.39Å; R16-S19 PolarHBondContact O-OG 3.07Å; R16-I135 VanDerWaalsContact CD-CG2 3.42Å; R16-I135 VanDerWaalsContact NH1-CG2 3.31Å; R16-D136 PolarHBondContact NE-O 3.32Å; R16-D136 PolarHBondContact NH2-O 3.45Å; R16-S137 PolarHBondContact NH1-OG 2.88Å
17L93.3Very high93.1Very high18 Ų1858.3 Ų58.39%0.09430%0.302CS..Hα-helixtrans-63.3-32.5-177-66.5174.2000112.7I13 F14 I20 N23 F44 M80 Q81I13-L17 HydrophobicContact CG2-CD1 3.78Å; I13-L17 HydrophobicContact CG2-CG 4.3Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 3.19Å; F14-L17 HydrophobicContact CD1-CD1 4.39Å; F14-L17 PolarHBondContact O-N 3.5Å; L17-I20 HydrophobicContact CD2-CD1 4.38Å; L17-N23 VanDerWaalsContact O-CB 3.3Å; L17-N23 WeakPolarHBondContact O-CB 3.32Å; L17-N23 PolarHBondContact O-ND2 3.09Å; L17-F44 HydrophobicContact CB-CE2 4.14Å; L17-F44 HydrophobicContact CB-CZ 3.65Å; L17-F44 HydrophobicContact CD1-CZ 4.29Å; L17-M80 HydrophobicContact CD1-CB 3.81Å; L17-Q81 HydrophobicContact CD1-CG 4.16Å; L17-Q81 HydrophobicContact CD2-CG 4.45Å
18R92.3Very high93.4Very high62 Ų6253.5 Ų53.523%0.23428%0.283CS..THydrogen-bonded Turntrans-83.1-7.5175.3-63.7168.779.1-154.110.7113.7F14 R16 K24 P34 F44 E67F14-R18 WeakPolarHBondContact O-CB 3.33Å; F14-R18 WeakPolarHBondContact O-CG 3.46Å; F14-R18 PolarHBondContact O-N 2.94Å; R16-R18 VanDerWaalsContact C-N 3.26Å; R16-R18 PolarHBondContact O-N 3.36Å; R18-K24 WeakPolarHBondContact O-CE 3.41Å; R18-K24 WeakPolarHBondContact O-CG 3.47Å; R18-P34 PolarHBondContact NE-O 3.04Å; R18-P34 PolarHBondContact NH2-O 2.74Å; R18-F44 HydrophobicContact CG-CD1 4.11Å; R18-F44 HydrophobicContact CG-CE1 3.66Å; R18-F44 HydrophobicContact CG-CZ 4.25Å; R18-E67 IonicContact CZ-OE1 3.93Å; R18-E67 IonicContact NH1-OE1 3.85Å; R18-E67 PolarHBondContact NH1-OE1 3.15Å; R18-E67 IonicContact NH2-OE1 2.62Å; R18-E67 PolarHBondContact NH2-OE1 3.32Å
19S92.9Very high93.6Very high64 Ų6452.5 Ų52.545%0.44828%0.279SS..THydrogen-bonded Turntrans-76.3-27.2171.2840000112.1K15 R16 K24K15-S19 PolarHBondContact O-N 3.45Å; R16-S19 WeakPolarHBondContact O-CB 3.24Å; R16-S19 PolarHBondContact O-N 3.39Å; R16-S19 PolarHBondContact O-OG 3.07Å; S19-K24 WeakPolarHBondContact O-CE 3.44Å; S19-K24 PolarHBondContact O-NZ 3.46Å
20I93.2Very high93.8Very high57 Ų5753 Ų5329%0.29229%0.293SS..SBendtrans-60.7125.9174.8-55.6174.7000109.4L17 T22 N23L17-I20 HydrophobicContact CD2-CD1 4.38Å; I20-T22 VanDerWaalsContact C-N 3.33Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.39Å; I20-T22 PolarHBondContact O-N 3.41Å; I20-N23 HydrophobicContact CB-CB 4.46Å; I20-N23 PolarHBondContact O-N 3.22Å; I20-N23 VanDerWaalsContact O-N 3.12Å
21P93.6Very high93.9Very high99 Ų9954.6 Ų54.664%0.64331%0.307SS*.G310 helixtrans-62.6-35.6-170.123.2-33.8000113.8N23 K24P21-N23 VanDerWaalsContact C-N 3.26Å; P21-N23 PolarHBondContact O-N 2.9Å; P21-K24 WeakPolarHBondContact O-CB 3.48Å; P21-K24 PolarHBondContact O-N 2.8Å; P21-K24 VanDerWaalsContact O-N 3.14Å
22T93.6Very high94.1Very high66 Ų6659.3 Ų59.341%0.40532%0.324SS..G310 helixtrans-67.9-23.517953.20000113.5I20 N85 A86I20-T22 VanDerWaalsContact C-N 3.33Å; I20-T22 WeakPolarHBondContact CG2-OG1 3.39Å; I20-T22 PolarHBondContact O-N 3.41Å; T22-N85 WeakPolarHBondContact O-CB 3.21Å; T22-A86 HydrophobicContact CG2-CB 4.07Å
23N94.8Very high94.1Very high3 Ų361.6 Ų61.62%0.01633%0.333CS..G310 helixtrans-87.3-4.4176.1-65.7-19.6000112.8L17 I20 P21 A25 P34 F44 N85L17-N23 VanDerWaalsContact O-CB 3.3Å; L17-N23 WeakPolarHBondContact O-CB 3.32Å; L17-N23 PolarHBondContact O-ND2 3.09Å; I20-N23 HydrophobicContact CB-CB 4.46Å; I20-N23 PolarHBondContact O-N 3.22Å; I20-N23 VanDerWaalsContact O-N 3.12Å; P21-N23 VanDerWaalsContact C-N 3.26Å; P21-N23 PolarHBondContact O-N 2.9Å; N23-A25 VanDerWaalsContact C-N 3.28Å; N23-P34 WeakPolarHBondContact O-CG 3.4Å; N23-F44 HydrophobicContact CB-CD2 3.77Å; N23-F44 HydrophobicContact CB-CE2 4.03Å; N23-F44 HydrophobicContact CB-CG 4.42Å; N23-N85 PolarHBondContact OD1-N 3.43Å
24K94.9Very high94.3Very high94 Ų9461.6 Ų61.641%0.40933%0.334SS..G310 helixtrans-83.8-0.8175.4-63.1177.1-171.3164.70113.6R18 S19 P21 K32 N33 P34R18-K24 WeakPolarHBondContact O-CE 3.41Å; R18-K24 WeakPolarHBondContact O-CG 3.47Å; S19-K24 WeakPolarHBondContact O-CE 3.44Å; S19-K24 PolarHBondContact O-NZ 3.46Å; P21-K24 WeakPolarHBondContact O-CB 3.48Å; P21-K24 PolarHBondContact O-N 2.8Å; P21-K24 VanDerWaalsContact O-N 3.14Å; K24-K32 CarbonylContact O-C 3.56Å; K24-K32 WeakPolarHBondContact O-CA 3.27Å; K24-N33 PolarHBondContact O-N 2.85Å; K24-P34 WeakPolarHBondContact O-CD 3.26Å
25A96.3Very high94.3Very high36 Ų3662.7 Ų62.730%0.29834%0.342SS..BIsolated β-bridgetrans-121.3137.7172.700000109.7N23 F27 A31 N85N23-A25 VanDerWaalsContact C-N 3.28Å; A25-F27 PolarHBondContact O-N 3.17Å; A25-A31 CarbonylContact C-O 3.55Å; A25-A31 WeakPolarHBondContact CA-O 3.37Å; A25-N85 PolarHBondContact O-ND2 3.01Å
26C96.7Very high94.5Very high5 Ų556 Ų563%0.03431%0.312CS..  trans-56.9133.1174.1177.50000110.9D28 C29 A30 A31 C46C26-D28 PolarHBondContact O-N 3.27Å; C26-C29 PolarHBondContact SG-SG 2.98Å; C26-A30 VanDerWaalsContact O-CA 3.22Å; C26-A30 WeakPolarHBondContact O-CA 3.35Å; C26-A30 PolarHBondContact O-N 3.19Å; C26-A31 HydrophobicContact CB-CB 4.24Å; C26-A31 PolarHBondContact N-O 3.43Å; C26-C46 HydrophobicContact CB-CB 4.18Å; C26-C46 PolarHBondContact SG-N 2.88Å
27F96.1Very high94.8Very high22 Ų2252.5 Ų52.510%0.09630%0.298CS..THydrogen-bonded Turntrans-65.7-19.4-176.7175.6-112000115A25 V43 F44 L45 N85 A88 F92 K105 Y106A25-F27 PolarHBondContact O-N 3.17Å; F27-V43 HydrophobicContact CB-CB 4.03Å; F27-V43 HydrophobicContact CB-CG1 4.46Å; F27-V43 HydrophobicContact CB-CG2 4.37Å; F27-V43 HydrophobicContact CD1-CB 4.11Å; F27-V43 HydrophobicContact CD1-CG1 3.98Å; F27-V43 HydrophobicContact CD1-CG2 3.97Å; F27-V43 HydrophobicContact CD2-CG1 4.4Å; F27-V43 HydrophobicContact CE1-CG1 4.34Å; F27-V43 HydrophobicContact CG-CB 4.09Å; F27-V43 HydrophobicContact CG-CG1 4.01Å; F27-V43 HydrophobicContact CG-CG2 4.39Å; F27-F44 PolarHBondContact N-O 3.32Å; F27-L45 HydrophobicContact CB-CD2 4.22Å; F27-N85 HydrophobicContact CD2-CB 4.47Å; F27-A88 HydrophobicContact CD2-CB 4.11Å; F27-A88 HydrophobicContact CE1-CB 4.43Å; F27-A88 HydrophobicContact CE2-CB 3.57Å; F27-A88 HydrophobicContact CZ-CB 3.75Å; F27-F92 HydrophobicContact CE1-CD2 4.42Å; F27-F92 HydrophobicContact CE1-CE2 4.2Å; F27-F92 AromaticContact CZ-CD2 3.75Å; F27-F92 HydrophobicContact CZ-CD2 3.75Å; F27-F92 AromaticContact CZ-CE2 3.97Å; F27-F92 HydrophobicContact CZ-CE2 3.97Å; F27-F92 HydrophobicContact CZ-CG 4.32Å; F27-K105 VanDerWaalsContact CE1-NZ 3.31Å; F27-K105 PolarHBondContact O-NZ 2.99Å; F27-Y106 WeakPolarHBondContact CD1-OH 3.43Å; F27-Y106 HydrophobicContact CE1-CE1 4.3Å; F27-Y106 VanDerWaalsContact CE1-OH 3.24Å; F27-Y106 WeakPolarHBondContact CE1-OH 3.37Å
28D95.1Very high95Very high37 Ų3751.6 Ų51.620%0.19829%0.294CS..THydrogen-bonded Turntrans-105.8-41.5-179.9-69.9-64.1000113.8C26 L45 H53 K105 Y106C26-D28 PolarHBondContact O-N 3.27Å; D28-L45 WeakPolarHBondContact OD2-CD2 3.37Å; D28-H53 IonicContact OD2-CE1 2.68Å; D28-H53 IonicContact OD2-NE2 3.93Å; D28-H53 PolarHBondContact OD2-NE2 3.32Å; D28-K105 WeakPolarHBondContact OD1-CD 3.49Å; D28-K105 WeakPolarHBondContact OD1-CE 3.34Å; D28-K105 IonicContact OD1-NZ 3.16Å; D28-K105 PolarHBondContact OD1-NZ 2.9Å; D28-Y106 VanDerWaalsContact CG-OH 3.29Å; D28-Y106 PolarHBondContact OD1-OH 3.48Å; D28-Y106 VanDerWaalsContact OD1-OH 3.12Å; D28-Y106 PolarHBondContact OD2-OH 2.78Å
29C94.6Very high95.2Very high65 Ų6549.1 Ų49.144%0.43929%0.285SS..THydrogen-bonded Turntrans-1165.5-176.470.80000115.3C26 A31 C46C26-C29 PolarHBondContact SG-SG 2.98Å; C29-A31 PolarHBondContact O-N 3.42Å; C29-A31 WeakPolarHBondContact SG-CB 3.35Å; C29-C46 PolarHBondContact SG-SG 2.68Å
30A94.6Very high95.4Very high69 Ų6947.4 Ų47.457%0.5727%0.273SS*.  trans57.14.7-17600000116.9C26C26-A30 VanDerWaalsContact O-CA 3.22Å; C26-A30 WeakPolarHBondContact O-CA 3.35Å; C26-A30 PolarHBondContact O-N 3.19Å
31A95.9Very high95.5Very high39 Ų3944.7 Ų44.732%0.32226%0.259SS..  trans-55.2139.7176.900000112.6A25 C26 C29 C46A25-A31 CarbonylContact C-O 3.55Å; A25-A31 WeakPolarHBondContact CA-O 3.37Å; C26-A31 HydrophobicContact CB-CB 4.24Å; C26-A31 PolarHBondContact N-O 3.43Å; C29-A31 PolarHBondContact O-N 3.42Å; C29-A31 WeakPolarHBondContact SG-CB 3.35Å; A31-C46 HydrophobicContact CB-CB 4.12Å
32K95.2Very high95.7Very high188 Ų18840 Ų4082%0.81723%0.228SC*.BIsolated β-bridgetrans-70.6151-171.7-61.8177.3-177.3175.60112.3K24K24-K32 CarbonylContact O-C 3.56Å; K24-K32 WeakPolarHBondContact O-CA 3.27Å
33N91.9Very high95.9Very high118 Ų11836.8 Ų36.863%0.63121%0.209SC*.SBendtrans51.956.5172.8-61.2-22.6000114.9K24 S35K24-N33 PolarHBondContact O-N 2.85Å; N33-S35 PolarHBondContact O-N 3.44Å
34P95.8Very high96Very high2 Ų236.7 Ų36.71%0.01321%0.208CC..  trans-55135.8174.226-35.7000112.1R18 N23 K24 F44 L45R18-P34 PolarHBondContact NE-O 3.04Å; R18-P34 PolarHBondContact NH2-O 2.74Å; N23-P34 WeakPolarHBondContact O-CG 3.4Å; K24-P34 WeakPolarHBondContact O-CD 3.26Å; P34-F44 HydrophobicContact CB-CB 3.92Å; P34-F44 HydrophobicContact CG-CB 3.64Å; P34-L45 WeakPolarHBondContact CA-O 3.49Å; P34-L45 WeakPolarHBondContact CB-O 3.31Å
35S95.6Very high96.1Very high27 Ų2732.2 Ų32.219%0.18919%0.189CC..  trans-117-0.3178.5550000113.3N33 L45 S65 T66 E67N33-S35 PolarHBondContact O-N 3.44Å; S35-L45 PolarHBondContact N-O 2.73Å; S35-S65 PolarHBondContact O-OG 2.85Å; S35-T66 PolarHBondContact O-N 3.03Å; S35-T66 PolarHBondContact O-OG1 2.9Å; S35-E67 WeakPolarHBondContact CB-OE2 3.48Å
36W96.8Very high96.2Very high31 Ų3131 Ų3112%0.11718%0.178CC..EExtended strand (participates in β ladder)trans-111.9158.6173.7-65.184.6000110.3F44 L45 R54 I63 L68W36-F44 CarbonylContact O-C 3.53Å; W36-F44 WeakPolarHBondContact O-CA 3.28Å; W36-L45 HydrophobicContact CB-CB 4.39Å; W36-L45 WeakPolarHBondContact CB-O 3.49Å; W36-L45 PolarHBondContact N-O 3.17Å; W36-L45 VanDerWaalsContact N-O 3.12Å; W36-L45 PolarHBondContact O-N 3.15Å; W36-R54 VanDerWaalsContact CH2-NH2 3.26Å; W36-I63 HydrophobicContact CE3-CG2 3.78Å; W36-I63 HydrophobicContact CZ3-CG2 4.33Å; W36-L68 HydrophobicContact CZ2-CD1 4.32Å
37A97.2Very high96.1Very high0 Ų035.8 Ų35.80%020%0.202CC..EExtended strand (participates in β ladder)trans-140.1143.5178.900000111.5V43 I63 R64 T66 W72 M80A37-V43 CarbonylContact C-O 3.56Å; A37-V43 VanDerWaalsContact CA-O 3.23Å; A37-V43 WeakPolarHBondContact CA-O 3.46Å; A37-I63 WeakPolarHBondContact O-CA 3.27Å; A37-R64 PolarHBondContact N-O 2.92Å; A37-R64 PolarHBondContact O-N 2.91Å; A37-T66 HydrophobicContact CB-CG2 3.76Å; A37-W72 HydrophobicContact CB-CH2 4.18Å; A37-M80 HydrophobicContact CB-CE 3.6Å; A37-M80 HydrophobicContact CB-SD 3.8Å
38S97.2Very high96.1Very high0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-100.6106165.1-175.10000109.9S40 Y41 G42 V43 S61 F62S38-S40 PolarHBondContact O-N 3.03Å; S38-Y41 PolarHBondContact O-N 2.92Å; S38-Y41 WeakPolarHBondContact OG-CD2 3.44Å; S38-G42 PolarHBondContact O-N 2.81Å; S38-V43 PolarHBondContact N-O 3.31Å; S38-V43 PolarHBondContact O-N 3.03Å; S38-S61 PolarHBondContact OG-OG 3.27Å; S38-F62 WeakPolarHBondContact CA-O 3.34Å
39I97.1Very high96.2Very high10 Ų1038.7 Ų38.75%0.05122%0.219CC..THydrogen-bonded Turntrans-63.2-31.2-178-68.3161.2000111.1Y41 F62 R64 W72 Q76 C79I39-Y41 PolarHBondContact O-N 3.1Å; I39-F62 HydrophobicContact CB-CD1 4.19Å; I39-F62 HydrophobicContact CD1-CD1 3.59Å; I39-F62 HydrophobicContact CD1-CE1 3.83Å; I39-F62 HydrophobicContact CG1-CD1 4.44Å; I39-F62 PolarHBondContact N-O 3.46Å; I39-R64 HydrophobicContact CD1-CB 3.95Å; I39-R64 HydrophobicContact CD1-CG 3.6Å; I39-W72 HydrophobicContact CD1-CE3 4.17Å; I39-W72 HydrophobicContact CD1-CH2 3.76Å; I39-W72 HydrophobicContact CD1-CZ3 3.55Å; I39-W72 HydrophobicContact CG1-CH2 3.71Å; I39-W72 HydrophobicContact CG1-CZ3 3.51Å; I39-Q76 HydrophobicContact CD1-CB 4.04Å; I39-Q76 HydrophobicContact CD1-CG 4.18Å; I39-Q76 HydrophobicContact CG1-CB 4.31Å; I39-Q76 HydrophobicContact CG2-CB 3.87Å; I39-Q76 HydrophobicContact CG2-CG 3.96Å; I39-C79 HydrophobicContact CG2-CB 4.2Å; I39-C79 WeakPolarHBondContact O-CB 3.38Å
40S96.6Very high96.3Very high27 Ų2735.8 Ų35.819%0.18920%0.2CC..THydrogen-bonded Turntrans-60.2-30178.3-56.70000113.3S38 F62 R115S38-S40 PolarHBondContact O-N 3.03Å; S40-F62 PolarHBondContact OG-N 2.76Å; S40-R115 WeakPolarHBondContact O-CA 3.29Å; S40-R115 WeakPolarHBondContact O-CG 3.42Å
41Y97Very high96.4Very high0 Ų034.2 Ų34.20%019%0.19CC..THydrogen-bonded Turntrans-119.1-6-177.2-54.8-82.2000113.1S38 I39 V43 L60 F92 Y106 A111 Y114 R115S38-Y41 PolarHBondContact O-N 2.92Å; S38-Y41 WeakPolarHBondContact OG-CD2 3.44Å; I39-Y41 PolarHBondContact O-N 3.1Å; Y41-V43 VanDerWaalsContact C-N 3.32Å; Y41-V43 PolarHBondContact O-N 2.82Å; Y41-L60 WeakPolarHBondContact CE2-O 3.49Å; Y41-L60 PolarHBondContact OH-O 2.86Å; Y41-F92 HydrophobicContact CD1-CZ 4.45Å; Y41-F92 HydrophobicContact CE1-CZ 4.44Å; Y41-Y106 HydrophobicContact CD1-CD1 4.4Å; Y41-Y106 HydrophobicContact CD1-CE1 4.36Å; Y41-Y106 HydrophobicContact CD2-CD1 4.14Å; Y41-Y106 AromaticContact CD2-CE1 3.96Å; Y41-Y106 HydrophobicContact CD2-CE1 3.96Å; Y41-Y106 AromaticContact CE1-CD1 3.77Å; Y41-Y106 HydrophobicContact CE1-CD1 3.77Å; Y41-Y106 HydrophobicContact CE1-CE1 4.18Å; Y41-Y106 AromaticContact CE2-CD1 3.55Å; Y41-Y106 HydrophobicContact CE2-CD1 3.55Å; Y41-Y106 AromaticContact CE2-CE1 3.85Å; Y41-Y106 HydrophobicContact CE2-CE1 3.85Å; Y41-Y106 HydrophobicContact CE2-CG 4.35Å; Y41-Y106 HydrophobicContact CG-CE1 4.24Å; Y41-Y106 AromaticContact CZ-CD1 3.35Å; Y41-Y106 AromaticContact CZ-CE1 3.98Å; Y41-A111 HydrophobicContact CE1-CB 3.84Å; Y41-A111 WeakPolarHBondContact CE1-O 3.28Å; Y41-Y114 AromaticContact CD1-CD1 3.95Å; Y41-Y114 HydrophobicContact CD1-CD1 3.95Å; Y41-Y114 WeakPolarHBondContact O-CE1 3.42Å; Y41-R115 HydrophobicContact CD1-CG 3.74Å; Y41-R115 HydrophobicContact CE1-CG 3.36Å; Y41-R115 HydrophobicContact CE2-CG 4.37Å; Y41-R115 HydrophobicContact CG-CG 4.43Å; Y41-R115 WeakPolarHBondContact OH-CD 3.21Å; Y41-R115 PolarHBondContact OH-NE 3.44Å
42G96.7Very high96.4Very high0 Ų036.1 Ų36.10%019%0.194CC..THydrogen-bonded Turntrans6825.7-175.900000114.3S38 C79 G84S38-G42 PolarHBondContact O-N 2.81Å; G42-C79 WeakPolarHBondContact CA-O 3.42Å; G42-G84 WeakPolarHBondContact O-CA 3.41Å; G42-G84 PolarHBondContact O-N 3.14Å
43V97.4Very high96.4Very high0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-110.8152.3-172.3-59.70000113.5F27 A37 S38 Y41 L45 N85 A88F27-V43 HydrophobicContact CB-CB 4.03Å; F27-V43 HydrophobicContact CB-CG1 4.46Å; F27-V43 HydrophobicContact CB-CG2 4.37Å; F27-V43 HydrophobicContact CD1-CB 4.11Å; F27-V43 HydrophobicContact CD1-CG1 3.98Å; F27-V43 HydrophobicContact CD1-CG2 3.97Å; F27-V43 HydrophobicContact CD2-CG1 4.4Å; F27-V43 HydrophobicContact CE1-CG1 4.34Å; F27-V43 HydrophobicContact CG-CB 4.09Å; F27-V43 HydrophobicContact CG-CG1 4.01Å; F27-V43 HydrophobicContact CG-CG2 4.39Å; A37-V43 CarbonylContact C-O 3.56Å; A37-V43 VanDerWaalsContact CA-O 3.23Å; A37-V43 WeakPolarHBondContact CA-O 3.46Å; S38-V43 PolarHBondContact N-O 3.31Å; S38-V43 PolarHBondContact O-N 3.03Å; Y41-V43 VanDerWaalsContact C-N 3.32Å; Y41-V43 PolarHBondContact O-N 2.82Å; V43-L45 HydrophobicContact CG2-CD2 4.35Å; V43-L45 HydrophobicContact CG2-CG 4.43Å; V43-N85 VanDerWaalsContact CA-OD1 3.29Å; V43-N85 WeakPolarHBondContact CA-OD1 3.14Å; V43-N85 WeakPolarHBondContact CB-OD1 3.29Å; V43-A88 HydrophobicContact CG1-CB 3.41Å; V43-A88 VanDerWaalsContact CG1-CB 3.41Å
44F97.8Very high96.6Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-96.9135.9176.8-65.6-93.3000112F14 L17 R18 N23 F27 P34 W36 T66 M80 N85F14-F44 HydrophobicContact CD1-CE1 4.01Å; F14-F44 HydrophobicContact CD1-CZ 4.19Å; F14-F44 HydrophobicContact CE1-CE1 4.33Å; F14-F44 HydrophobicContact CE1-CZ 4.43Å; L17-F44 HydrophobicContact CB-CE2 4.14Å; L17-F44 HydrophobicContact CB-CZ 3.65Å; L17-F44 HydrophobicContact CD1-CZ 4.29Å; R18-F44 HydrophobicContact CG-CD1 4.11Å; R18-F44 HydrophobicContact CG-CE1 3.66Å; R18-F44 HydrophobicContact CG-CZ 4.25Å; N23-F44 HydrophobicContact CB-CD2 3.77Å; N23-F44 HydrophobicContact CB-CE2 4.03Å; N23-F44 HydrophobicContact CB-CG 4.42Å; F27-F44 PolarHBondContact N-O 3.32Å; P34-F44 HydrophobicContact CB-CB 3.92Å; P34-F44 HydrophobicContact CG-CB 3.64Å; W36-F44 CarbonylContact O-C 3.53Å; W36-F44 WeakPolarHBondContact O-CA 3.28Å; F44-T66 HydrophobicContact CD1-CG2 4.33Å; F44-T66 HydrophobicContact CE1-CG2 4Å; F44-M80 HydrophobicContact CD1-CE 4.29Å; F44-M80 HydrophobicContact CD2-CE 3.91Å; F44-M80 HydrophobicContact CE1-CE 3.97Å; F44-M80 HydrophobicContact CE2-CE 3.54Å; F44-M80 HydrophobicContact CG-CE 4.25Å; F44-M80 HydrophobicContact CZ-CE 3.57Å; F44-N85 PolarHBondContact N-OD1 3.17Å; F44-N85 PolarHBondContact O-ND2 3.35Å
45L97.3Very high96.6Very high0 Ų032.9 Ų32.90%018%0.183CC..EExtended strand (participates in β ladder)trans-131.8151.5-171.9-60.1173.9000111.8F27 D28 P34 S35 W36 V43 C49 I63F27-L45 HydrophobicContact CB-CD2 4.22Å; D28-L45 WeakPolarHBondContact OD2-CD2 3.37Å; P34-L45 WeakPolarHBondContact CA-O 3.49Å; P34-L45 WeakPolarHBondContact CB-O 3.31Å; S35-L45 PolarHBondContact N-O 2.73Å; W36-L45 HydrophobicContact CB-CB 4.39Å; W36-L45 WeakPolarHBondContact CB-O 3.49Å; W36-L45 PolarHBondContact N-O 3.17Å; W36-L45 VanDerWaalsContact N-O 3.12Å; W36-L45 PolarHBondContact O-N 3.15Å; V43-L45 HydrophobicContact CG2-CD2 4.35Å; V43-L45 HydrophobicContact CG2-CG 4.43Å; L45-C49 HydrophobicContact CB-CB 4.28Å; L45-C49 HydrophobicContact CD2-CB 4.3Å; L45-I63 HydrophobicContact CD1-CD1 3.64Å
46C96.9Very high96.5Very high10 Ų1032.3 Ų32.37%0.06818%0.178CC..  trans-74.6171.8166.674.40000111C26 C29 A31 D48 C49 S50C26-C46 HydrophobicContact CB-CB 4.18Å; C26-C46 PolarHBondContact SG-N 2.88Å; C29-C46 PolarHBondContact SG-SG 2.68Å; A31-C46 HydrophobicContact CB-CB 4.12Å; C46-D48 VanDerWaalsContact C-N 3.31Å; C46-D48 PolarHBondContact O-N 3.48Å; C46-D48 PolarHBondContact SG-OD2 2.92Å; C46-C49 PolarHBondContact SG-N 3.08Å; C46-C49 VanDerWaalsContact SG-N 3.41Å; C46-S50 WeakPolarHBondContact O-CB 3.48Å; C46-S50 PolarHBondContact O-N 3.18Å
47I95.6Very high96.5Very high107 Ų10731.9 Ų31.955%0.54918%0.183SC..Hα-helixtrans-58.3-42179.4-170167.4000112.4S50 G51I47-S50 WeakPolarHBondContact O-CB 3.47Å; I47-S50 PolarHBondContact O-N 2.72Å; I47-S50 PolarHBondContact O-OG 3.03Å; I47-G51 PolarHBondContact O-N 3.39Å
48D96.8Very high96.4Very high112 Ų11236.9 Ų36.960%0.59921%0.214SC*.Hα-helixtrans-69-47.3-175.7-33.3-82.3000111.2C46 S50 G51 I52C46-D48 VanDerWaalsContact C-N 3.31Å; C46-D48 PolarHBondContact O-N 3.48Å; C46-D48 PolarHBondContact SG-OD2 2.92Å; D48-S50 VanDerWaalsContact C-N 3.27Å; D48-S50 PolarHBondContact O-N 3.26Å; D48-G51 WeakPolarHBondContact O-CA 3.3Å; D48-G51 PolarHBondContact O-N 3.42Å; D48-I52 PolarHBondContact O-N 3.11Å; D48-I52 VanDerWaalsContact O-N 3.1Å
49C96.5Very high96.1Very high8 Ų843.6 Ų43.65%0.05425%0.245CC..Hα-helixtrans-63.4-34.8173.7-66.40000111.4L45 C46 G51 I52 H53L45-C49 HydrophobicContact CB-CB 4.28Å; L45-C49 HydrophobicContact CD2-CB 4.3Å; C46-C49 PolarHBondContact SG-N 3.08Å; C46-C49 VanDerWaalsContact SG-N 3.41Å; C49-G51 PolarHBondContact O-N 2.89Å; C49-I52 PolarHBondContact O-N 3.41Å; C49-H53 PolarHBondContact O-CD2 3.1Å; C49-H53 PolarHBondContact O-N 3.3Å
50S96.3Very high96Very high4 Ų443.9 Ų43.93%0.02825%0.247CC..Hα-helixtrans-61.1-33.2171.395.20000112.2C46 I47 D48 R54C46-S50 WeakPolarHBondContact O-CB 3.48Å; C46-S50 PolarHBondContact O-N 3.18Å; I47-S50 WeakPolarHBondContact O-CB 3.47Å; I47-S50 PolarHBondContact O-N 2.72Å; I47-S50 PolarHBondContact O-OG 3.03Å; D48-S50 VanDerWaalsContact C-N 3.27Å; D48-S50 PolarHBondContact O-N 3.26Å; S50-R54 WeakPolarHBondContact O-CD 3.38Å; S50-R54 VanDerWaalsContact O-CG 3.22Å; S50-R54 WeakPolarHBondContact O-CG 3.21Å; S50-R54 PolarHBondContact O-N 3.02Å; S50-R54 VanDerWaalsContact O-N 3.12Å
51G95.9Very high95.9Very high36 Ų3642.8 Ų42.837%0.37124%0.239SC..Hα-helixtrans-62.4-51.7171.600000112.5I47 D48 C49 H53 R54 S55I47-G51 PolarHBondContact O-N 3.39Å; D48-G51 WeakPolarHBondContact O-CA 3.3Å; D48-G51 PolarHBondContact O-N 3.42Å; C49-G51 PolarHBondContact O-N 2.89Å; G51-H53 VanDerWaalsContact C-N 3.29Å; G51-H53 PolarHBondContact O-N 2.88Å; G51-R54 WeakPolarHBondContact O-CB 3.49Å; G51-R54 PolarHBondContact O-N 3.22Å; G51-S55 PolarHBondContact O-N 3.02Å
52I96.4Very high95.9Very high78 Ų7845.7 Ų45.740%0.425%0.252SS..Hα-helixtrans-61.9-39177.8-51.4169.5000110.7D48 C49 R54 S55 L56 T102D48-I52 PolarHBondContact O-N 3.11Å; D48-I52 VanDerWaalsContact O-N 3.1Å; C49-I52 PolarHBondContact O-N 3.41Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.97Å; I52-S55 PolarHBondContact O-N 3.3Å; I52-S55 PolarHBondContact O-OG 3.03Å; I52-L56 PolarHBondContact O-N 3.28Å; I52-T102 HydrophobicContact CB-CG2 4.32Å; I52-T102 HydrophobicContact CG2-CG2 3.59Å
53H96.4Very high95.9Very high0 Ų046.6 Ų46.60%026%0.256CS..Hα-helixtrans-66.9-25.7175.6-82.4-122.1000114D28 C49 G51 S61 I63 Y106D28-H53 IonicContact OD2-CE1 2.68Å; D28-H53 IonicContact OD2-NE2 3.93Å; D28-H53 PolarHBondContact OD2-NE2 3.32Å; C49-H53 PolarHBondContact O-CD2 3.1Å; C49-H53 PolarHBondContact O-N 3.3Å; G51-H53 VanDerWaalsContact C-N 3.29Å; G51-H53 PolarHBondContact O-N 2.88Å; H53-S61 WeakPolarHBondContact ND1-CB 3.34Å; H53-S61 PolarHBondContact ND1-OG 3.37Å; H53-I63 HydrophobicContact CB-CD1 3.49Å; H53-I63 VanDerWaalsContact CB-CD1 3.49Å; H53-I63 HydrophobicContact CB-CG1 3.56Å; H53-Y106 AromaticContact CE1-CD2 3.8Å; H53-Y106 AromaticContact CE1-CE1 3.99Å; H53-Y106 AromaticContact CE1-CE2 3.22Å; H53-Y106 WeakPolarHBondContact CE1-CE2 3.41Å; H53-Y106 AromaticContact CE1-CZ 3.29Å; H53-Y106 PolarHBondContact CE1-OH 3.49Å; H53-Y106 AromaticContact NE2-CD2 3.8Å; H53-Y106 AromaticContact NE2-CE2 3.07Å; H53-Y106 WeakPolarHBondContact NE2-CE2 3.33Å; H53-Y106 AromaticContact NE2-CZ 3.52Å
54R96Very high95.9Very high137 Ų13750 Ų5052%0.51727%0.269SS..Hα-helixtrans-70-36.4174.1-72157.1-178.1-864.7111.4W36 S50 G51 I52 L56 G57W36-R54 VanDerWaalsContact CH2-NH2 3.26Å; S50-R54 WeakPolarHBondContact O-CD 3.38Å; S50-R54 VanDerWaalsContact O-CG 3.22Å; S50-R54 WeakPolarHBondContact O-CG 3.21Å; S50-R54 PolarHBondContact O-N 3.02Å; S50-R54 VanDerWaalsContact O-N 3.12Å; G51-R54 WeakPolarHBondContact O-CB 3.49Å; G51-R54 PolarHBondContact O-N 3.22Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.97Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-G57 PolarHBondContact O-N 2.9Å; R54-G57 VanDerWaalsContact O-N 3.09Å
55S95.8Very high95.8Very high103 Ų10350 Ų5072%0.7227%0.269SS*.Hα-helixtrans-74.8-19.5176.861.50000113.9G51 I52 G57G51-S55 PolarHBondContact O-N 3.02Å; I52-S55 PolarHBondContact O-N 3.3Å; I52-S55 PolarHBondContact O-OG 3.03Å; S55-G57 PolarHBondContact O-N 3.06Å
56L94Very high95.6Very high15 Ų1550.2 Ų50.28%0.07927%0.27CS..THydrogen-bonded Turntrans-67.7-22.7164.8-61.8-177.8000113.1I52 R54 L60 T102 N103 Y106I52-L56 PolarHBondContact O-N 3.28Å; R54-L56 VanDerWaalsContact C-N 3.34Å; L56-L60 HydrophobicContact CB-CB 4.09Å; L56-L60 HydrophobicContact CB-CD1 4.09Å; L56-L60 HydrophobicContact CD2-CD1 4.46Å; L56-T102 HydrophobicContact CD1-CG2 4.23Å; L56-N103 HydrophobicContact CD2-CB 4.43Å; L56-Y106 HydrophobicContact CD1-CD2 3.9Å; L56-Y106 HydrophobicContact CD1-CG 4.2Å
57G94.8Very high95.3Very high22 Ų2254.9 Ų54.923%0.22729%0.291CS..  trans79.8156.8-179.600000114.9R54 S55 H59 L60 S61R54-G57 PolarHBondContact O-N 2.9Å; R54-G57 VanDerWaalsContact O-N 3.09Å; S55-G57 PolarHBondContact O-N 3.06Å; G57-H59 PolarHBondContact O-N 3.41Å; G57-L60 PolarHBondContact O-N 2.87Å; G57-S61 PolarHBondContact O-N 3.39Å
58V95.2Very high95.1Very high106 Ų10656.2 Ų56.264%0.64230%0.299SS*.THydrogen-bonded Turntrans-60.3-23-169.5-630000115.2F62V58-F62 HydrophobicContact CB-CD2 4.11Å; V58-F62 HydrophobicContact CG1-CD2 4Å; V58-F62 HydrophobicContact CG1-CE2 4.43Å
59H92.3Very high94.8Very high141 Ų14152.8 Ų52.865%0.65328%0.28SS*.THydrogen-bonded Turntrans-76.8-24.3178.570.8-75.9000113G57 R115G57-H59 PolarHBondContact O-N 3.41Å; H59-R115 PolarHBondContact O-NH1 3.4Å
60L94.1Very high94.4Very high16 Ų1655.4 Ų55.48%0.08430%0.299CS..THydrogen-bonded Turntrans-94-42.8170.9-67.5-177.2000112.1Y41 L56 G57 N107Y41-L60 WeakPolarHBondContact CE2-O 3.49Å; Y41-L60 PolarHBondContact OH-O 2.86Å; L56-L60 HydrophobicContact CB-CB 4.09Å; L56-L60 HydrophobicContact CB-CD1 4.09Å; L56-L60 HydrophobicContact CD2-CD1 4.46Å; G57-L60 PolarHBondContact O-N 2.87Å; L60-N107 WeakPolarHBondContact CD1-OD1 3.45Å
61S95.8Very high94.2Very high3 Ų360.5 Ų60.52%0.02133%0.326CS..  trans-147.6114.1-179.7173.60000112S38 H53 G57 I63S38-S61 PolarHBondContact OG-OG 3.27Å; H53-S61 WeakPolarHBondContact ND1-CB 3.34Å; H53-S61 PolarHBondContact ND1-OG 3.37Å; G57-S61 PolarHBondContact O-N 3.39Å; S61-I63 WeakPolarHBondContact OG-CD1 3.39Å
62F96.6Very high94.1Very high62 Ų6259.2 Ų59.227%0.27231%0.31SS..  trans-88113.6170.5-168-111.7000110.8S38 I39 S40 V58 R64S38-F62 WeakPolarHBondContact CA-O 3.34Å; I39-F62 HydrophobicContact CB-CD1 4.19Å; I39-F62 HydrophobicContact CD1-CD1 3.59Å; I39-F62 HydrophobicContact CD1-CE1 3.83Å; I39-F62 HydrophobicContact CG1-CD1 4.44Å; I39-F62 PolarHBondContact N-O 3.46Å; S40-F62 PolarHBondContact OG-N 2.76Å; V58-F62 HydrophobicContact CB-CD2 4.11Å; V58-F62 HydrophobicContact CG1-CD2 4Å; V58-F62 HydrophobicContact CG1-CE2 4.43Å; F62-R64 HydrophobicContact CE1-CG 4.13Å
63I97.2Very high93.9Very high18 Ų1859.6 Ų59.69%0.09231%0.312CS..EExtended strand (participates in β ladder)trans-103.6135.7-173.1-67.1-69.3000111.5W36 A37 L45 H53 S61W36-I63 HydrophobicContact CE3-CG2 3.78Å; W36-I63 HydrophobicContact CZ3-CG2 4.33Å; A37-I63 WeakPolarHBondContact O-CA 3.27Å; L45-I63 HydrophobicContact CD1-CD1 3.64Å; H53-I63 HydrophobicContact CB-CD1 3.49Å; H53-I63 VanDerWaalsContact CB-CD1 3.49Å; H53-I63 HydrophobicContact CB-CG1 3.56Å; S61-I63 WeakPolarHBondContact OG-CD1 3.39Å
64R96Very high93.8Very high72 Ų7260 Ų6027%0.27231%0.314SS..EExtended strand (participates in β ladder)trans-140.2155.2169-73.5-68.6-175.6169.43.6110.6A37 I39 F62 D69 W72A37-R64 PolarHBondContact N-O 2.92Å; A37-R64 PolarHBondContact O-N 2.91Å; I39-R64 HydrophobicContact CD1-CB 3.95Å; I39-R64 HydrophobicContact CD1-CG 3.6Å; F62-R64 HydrophobicContact CE1-CG 4.13Å; R64-D69 VanDerWaalsContact CD-CG 3.41Å; R64-D69 WeakPolarHBondContact CD-OD1 3.37Å; R64-D69 WeakPolarHBondContact CD-OD2 3.48Å; R64-D69 IonicContact CZ-OD1 2.64Å; R64-D69 IonicContact NE-OD1 2.73Å; R64-D69 IonicContact NH1-OD1 2.59Å; R64-D69 PolarHBondContact NH1-OD1 2.85Å; R64-W72 HydrophobicContact CB-CH2 3.85Å; R64-W72 HydrophobicContact CB-CZ2 3.4Å; R64-W72 HydrophobicContact CG-CZ2 4.35Å
65S95Very high93.7Very high1 Ų156.1 Ų56.11%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-80.9142.7167.9178.90000110.1S35 E67 L68 D69 W72S35-S65 PolarHBondContact O-OG 2.85Å; S65-E67 VanDerWaalsContact C-N 3.27Å; S65-E67 PolarHBondContact OG-N 3.49Å; S65-E67 VanDerWaalsContact OG-N 3.15Å; S65-L68 PolarHBondContact OG-N 3.4Å; S65-D69 WeakPolarHBondContact CB-OD2 3.35Å; S65-D69 PolarHBondContact N-OD2 3.38Å; S65-W72 WeakPolarHBondContact O-CZ2 3.12Å; S65-W72 PolarHBondContact O-NE1 2.94Å
66T93.6Very high93.7Very high3 Ų352.8 Ų52.82%0.01827%0.274CS..SBendtrans-87.61.3173.3660000112.8F14 S35 A37 F44 W72F14-T66 HydrophobicContact CD1-CG2 3.66Å; F14-T66 HydrophobicContact CD2-CG2 4.38Å; F14-T66 HydrophobicContact CE1-CG2 3.55Å; F14-T66 HydrophobicContact CE2-CG2 4.27Å; F14-T66 HydrophobicContact CG-CG2 4.11Å; F14-T66 HydrophobicContact CZ-CG2 3.89Å; S35-T66 PolarHBondContact O-N 3.03Å; S35-T66 PolarHBondContact O-OG1 2.9Å; A37-T66 HydrophobicContact CB-CG2 3.76Å; F44-T66 HydrophobicContact CD1-CG2 4.33Å; F44-T66 HydrophobicContact CE1-CG2 4Å; T66-W72 HydrophobicContact CG2-CZ2 4.38Å
67E90.8Very high93.7Very high108 Ų10852.1 Ų52.151%0.50527%0.27SS..SBendtrans-126.7-37.7-174.8-64.8176162.100112.3R18 S35 S65R18-E67 IonicContact CZ-OE1 3.93Å; R18-E67 IonicContact NH1-OE1 3.85Å; R18-E67 PolarHBondContact NH1-OE1 3.15Å; R18-E67 IonicContact NH2-OE1 2.62Å; R18-E67 PolarHBondContact NH2-OE1 3.32Å; S35-E67 WeakPolarHBondContact CB-OE2 3.48Å; S65-E67 VanDerWaalsContact C-N 3.27Å; S65-E67 PolarHBondContact OG-N 3.49Å; S65-E67 VanDerWaalsContact OG-N 3.15Å
68L91.2Very high93.7Very high136 Ų13651 Ų5171%0.71226%0.259SS*.SBendtrans-95.7-36.7-176.1-56.8173.5000113.7W36 S65 S70W36-L68 HydrophobicContact CZ2-CD1 4.32Å; S65-L68 PolarHBondContact OG-N 3.4Å; L68-S70 PolarHBondContact O-N 3.13Å
69D91Very high93.7Very high40 Ų4046.2 Ų46.221%0.21423%0.23CC..  trans-81.3115.3179.6-74.2-80.4000110.5R64 S65 W72R64-D69 VanDerWaalsContact CD-CG 3.41Å; R64-D69 WeakPolarHBondContact CD-OD1 3.37Å; R64-D69 WeakPolarHBondContact CD-OD2 3.48Å; R64-D69 IonicContact CZ-OD1 2.64Å; R64-D69 IonicContact NE-OD1 2.73Å; R64-D69 IonicContact NH1-OD1 2.59Å; R64-D69 PolarHBondContact NH1-OD1 2.85Å; S65-D69 WeakPolarHBondContact CB-OD2 3.35Å; S65-D69 PolarHBondContact N-OD2 3.38Å; D69-W72 PolarHBondContact O-NE1 3.23Å; D69-W72 VanDerWaalsContact O-NE1 3.13Å
70S88.8Confident93.9Very high63 Ų6339.5 Ų39.544%0.44120%0.199SC..  trans-78.9-24.4167.940.20000113.5I10 L68 W72I10-S70 VanDerWaalsContact CD1-O 3.27Å; I10-S70 WeakPolarHBondContact CD1-O 3.31Å; L68-S70 PolarHBondContact O-N 3.13Å; S70-W72 VanDerWaalsContact C-N 3.32Å; S70-W72 PolarHBondContact O-N 2.92Å
71N91.6Very high93.8Very high111 Ų11140.2 Ų40.259%0.59420%0.202SC*.  trans-90.966.1-164.6-62.957.6000111.4
72W93.3Very high93.8Very high9 Ų941.1 Ų41.13%0.03421%0.207CC..  trans-95145.6174.4-74.580000111.4P5 I10 F14 A37 I39 R64 S65 T66 D69 S70 Q76 L77 M80P5-W72 VanDerWaalsContact CD-O 3.28Å; P5-W72 WeakPolarHBondContact CD-O 3.36Å; P5-W72 WeakPolarHBondContact CG-O 3.2Å; I10-W72 HydrophobicContact CD1-CB 3.97Å; I10-W72 HydrophobicContact CG1-CB 4.23Å; I10-W72 HydrophobicContact CG2-CG 4.26Å; F14-W72 HydrophobicContact CE1-CH2 4.29Å; F14-W72 AromaticContact CE2-CD2 3.92Å; F14-W72 HydrophobicContact CE2-CD2 3.92Å; F14-W72 AromaticContact CE2-CE2 3.67Å; F14-W72 HydrophobicContact CE2-CE3 4.25Å; F14-W72 HydrophobicContact CE2-CG 4.44Å; F14-W72 HydrophobicContact CE2-CH2 4.22Å; F14-W72 AromaticContact CE2-CZ2 3.85Å; F14-W72 HydrophobicContact CE2-CZ2 3.85Å; F14-W72 HydrophobicContact CE2-CZ3 4.38Å; F14-W72 AromaticContact CZ-CD2 3.98Å; F14-W72 HydrophobicContact CZ-CD2 3.98Å; F14-W72 AromaticContact CZ-CE2 3.79Å; F14-W72 AromaticContact CZ-CE3 3.87Å; F14-W72 HydrophobicContact CZ-CE3 3.87Å; F14-W72 AromaticContact CZ-CH2 3.47Å; F14-W72 HydrophobicContact CZ-CH2 3.47Å; F14-W72 VanDerWaalsContact CZ-CH2 3.47Å; F14-W72 AromaticContact CZ-CZ2 3.55Å; F14-W72 HydrophobicContact CZ-CZ2 3.55Å; F14-W72 AromaticContact CZ-CZ3 3.61Å; F14-W72 HydrophobicContact CZ-CZ3 3.61Å; A37-W72 HydrophobicContact CB-CH2 4.18Å; I39-W72 HydrophobicContact CD1-CE3 4.17Å; I39-W72 HydrophobicContact CD1-CH2 3.76Å; I39-W72 HydrophobicContact CD1-CZ3 3.55Å; I39-W72 HydrophobicContact CG1-CH2 3.71Å; I39-W72 HydrophobicContact CG1-CZ3 3.51Å; R64-W72 HydrophobicContact CB-CH2 3.85Å; R64-W72 HydrophobicContact CB-CZ2 3.4Å; R64-W72 HydrophobicContact CG-CZ2 4.35Å; S65-W72 WeakPolarHBondContact O-CZ2 3.12Å; S65-W72 PolarHBondContact O-NE1 2.94Å; T66-W72 HydrophobicContact CG2-CZ2 4.38Å; D69-W72 PolarHBondContact O-NE1 3.23Å; D69-W72 VanDerWaalsContact O-NE1 3.13Å; S70-W72 VanDerWaalsContact C-N 3.32Å; S70-W72 PolarHBondContact O-N 2.92Å; W72-Q76 HydrophobicContact CE3-CB 3.77Å; W72-Q76 HydrophobicContact CZ3-CB 4.06Å; W72-L77 HydrophobicContact CB-CD2 4.13Å; W72-L77 HydrophobicContact CB-CG 4.33Å; W72-L77 HydrophobicContact CD2-CD2 4.17Å; W72-L77 HydrophobicContact CE3-CD2 3.87Å; W72-L77 HydrophobicContact CE3-CG 4.47Å; W72-L77 HydrophobicContact CG-CD2 4.28Å; W72-M80 HydrophobicContact CH2-CG 4.31Å; W72-M80 HydrophobicContact CZ3-CG 3.97Å
73N93.6Very high93.7Very high85 Ų8538.3 Ų38.346%0.45520%0.196SC..  trans-102.5145.7171.1178.3-52.2000109.8F75 Q76 L77N73-F75 PolarHBondContact O-N 3.06Å; N73-F75 VanDerWaalsContact O-N 3.14Å; N73-F75 WeakPolarHBondContact OD1-CB 3.48Å; N73-F75 PolarHBondContact OD1-N 3.37Å; N73-Q76 HydrophobicContact CB-CG 4.06Å; N73-Q76 WeakPolarHBondContact O-CA 3.25Å; N73-Q76 VanDerWaalsContact O-CB 3.31Å; N73-Q76 WeakPolarHBondContact O-CB 3.12Å; N73-Q76 PolarHBondContact O-N 2.98Å; N73-L77 PolarHBondContact O-N 3.37Å
74W92.6Very high93.6Very high10 Ų1037.9 Ų37.94%0.03820%0.196CC..Hα-helixtrans-46.7-42.2175.3-78.9108.2000114M3 P5 I13 Q76 L77 R78 L126 T131M3-W74 PolarHBondContact O-NE1 2.92Å; P5-W74 HydrophobicContact CB-CD2 4.04Å; P5-W74 HydrophobicContact CB-CG 4.44Å; P5-W74 HydrophobicContact CB-CH2 4.38Å; P5-W74 HydrophobicContact CB-CZ2 3.78Å; P5-W74 HydrophobicContact CG-CG 4.5Å; I13-W74 HydrophobicContact CD1-CZ3 4.18Å; W74-Q76 VanDerWaalsContact C-N 3.31Å; W74-Q76 PolarHBondContact O-N 3.34Å; W74-L77 HydrophobicContact CE3-CD1 4.17Å; W74-L77 HydrophobicContact CZ3-CD1 4.45Å; W74-L77 WeakPolarHBondContact O-CB 3.36Å; W74-L77 PolarHBondContact O-N 3.07Å; W74-R78 WeakPolarHBondContact O-CG 3.5Å; W74-R78 PolarHBondContact O-N 3.44Å; W74-L126 HydrophobicContact CB-CD1 3.98Å; W74-T131 HydrophobicContact CG-CG2 4.22Å; W74-T131 WeakPolarHBondContact CH2-O 3.35Å; W74-T131 WeakPolarHBondContact CZ2-O 3.4Å
75F94.3Very high93.5Very high54 Ų5434.7 Ų34.724%0.23718%0.184CC..Hα-helixtrans-58.9-41.1175.5174.7-99.5000112.5N73 R78 C79 R119 A122 N123 L126N73-F75 PolarHBondContact O-N 3.06Å; N73-F75 VanDerWaalsContact O-N 3.14Å; N73-F75 WeakPolarHBondContact OD1-CB 3.48Å; N73-F75 PolarHBondContact OD1-N 3.37Å; F75-R78 PolarHBondContact O-N 3.49Å; F75-C79 PolarHBondContact O-N 3.17Å; F75-C79 PolarHBondContact O-SG 3.3Å; F75-C79 VanDerWaalsContact O-SG 3.37Å; F75-R119 HydrophobicContact CZ-CB 4.5Å; F75-R119 HydrophobicContact CZ-CG 4.01Å; F75-A122 HydrophobicContact CD2-CB 4.07Å; F75-A122 HydrophobicContact CE2-CB 3.57Å; F75-A122 HydrophobicContact CZ-CB 4.09Å; F75-N123 WeakPolarHBondContact CD2-OD1 3.39Å; F75-N123 WeakPolarHBondContact CE2-OD1 3.38Å; F75-L126 HydrophobicContact CB-CD2 4.2Å; F75-L126 HydrophobicContact CD2-CD2 4.38Å
76Q95.1Very high93.5Very high34 Ų3436.6 Ų36.616%0.15920%0.2CC..Hα-helixtrans-68.9-36.8178.5-55.9170.5-20.700111.2I39 W72 N73 W74 C79 M80I39-Q76 HydrophobicContact CD1-CB 4.04Å; I39-Q76 HydrophobicContact CD1-CG 4.18Å; I39-Q76 HydrophobicContact CG1-CB 4.31Å; I39-Q76 HydrophobicContact CG2-CB 3.87Å; I39-Q76 HydrophobicContact CG2-CG 3.96Å; W72-Q76 HydrophobicContact CE3-CB 3.77Å; W72-Q76 HydrophobicContact CZ3-CB 4.06Å; N73-Q76 HydrophobicContact CB-CG 4.06Å; N73-Q76 WeakPolarHBondContact O-CA 3.25Å; N73-Q76 VanDerWaalsContact O-CB 3.31Å; N73-Q76 WeakPolarHBondContact O-CB 3.12Å; N73-Q76 PolarHBondContact O-N 2.98Å; W74-Q76 VanDerWaalsContact C-N 3.31Å; W74-Q76 PolarHBondContact O-N 3.34Å; Q76-C79 WeakPolarHBondContact O-CB 3.41Å; Q76-C79 PolarHBondContact O-N 3.17Å; Q76-M80 WeakPolarHBondContact O-CG 3.33Å; Q76-M80 PolarHBondContact O-N 3.4Å
77L94.4Very high93.6Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-64.2-43.1171.5-61.5173.4000110.7P5 I10 I13 F14 W72 N73 W74 C79 M80 Q81P5-L77 HydrophobicContact CB-CD1 3.67Å; P5-L77 HydrophobicContact CG-CD1 3.73Å; I10-L77 HydrophobicContact CG1-CD1 4.16Å; I10-L77 HydrophobicContact CG2-CD2 4.48Å; I13-L77 HydrophobicContact CD1-CD1 4.03Å; F14-L77 HydrophobicContact CE2-CD2 3.87Å; F14-L77 HydrophobicContact CZ-CD2 3.96Å; W72-L77 HydrophobicContact CB-CD2 4.13Å; W72-L77 HydrophobicContact CB-CG 4.33Å; W72-L77 HydrophobicContact CD2-CD2 4.17Å; W72-L77 HydrophobicContact CE3-CD2 3.87Å; W72-L77 HydrophobicContact CE3-CG 4.47Å; W72-L77 HydrophobicContact CG-CD2 4.28Å; N73-L77 PolarHBondContact O-N 3.37Å; W74-L77 HydrophobicContact CE3-CD1 4.17Å; W74-L77 HydrophobicContact CZ3-CD1 4.45Å; W74-L77 WeakPolarHBondContact O-CB 3.36Å; W74-L77 PolarHBondContact O-N 3.07Å; L77-C79 PolarHBondContact O-N 2.93Å; L77-M80 PolarHBondContact O-N 3.31Å; L77-M80 VanDerWaalsContact O-N 3.12Å; L77-Q81 WeakPolarHBondContact O-CG 3.48Å; L77-Q81 PolarHBondContact O-N 2.69Å
78R94.4Very high93.8Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-59.3-42.1173.7-62.3-41.8-179.2-151.2-5.7112.1W74 F75 M80 Q81 V82 A122 A125 L126 G130 E132W74-R78 WeakPolarHBondContact O-CG 3.5Å; W74-R78 PolarHBondContact O-N 3.44Å; F75-R78 PolarHBondContact O-N 3.49Å; R78-M80 VanDerWaalsContact C-N 3.27Å; R78-M80 PolarHBondContact O-N 3.06Å; R78-Q81 PolarHBondContact O-N 3.42Å; R78-Q81 VanDerWaalsContact O-N 3.08Å; R78-V82 WeakPolarHBondContact O-CG2 3.4Å; R78-V82 PolarHBondContact O-N 3.41Å; R78-A122 HydrophobicContact CB-CB 3.9Å; R78-A125 HydrophobicContact CB-CB 4.3Å; R78-A125 HydrophobicContact CG-CB 4.18Å; R78-L126 HydrophobicContact CG-CB 4.27Å; R78-L126 HydrophobicContact CG-CD1 4.41Å; R78-G130 PolarHBondContact NH2-O 2.91Å; R78-E132 PolarHBondContact NH1-O 3.35Å; R78-E132 PolarHBondContact NH2-O 3.38Å
79C95.9Very high94Very high4 Ų431.4 Ų31.43%0.02718%0.178CC..Hα-helixtrans-55.5-41.2173.8-68.20000112.7I39 G42 F75 Q76 L77 G83 I118 A122I39-C79 HydrophobicContact CG2-CB 4.2Å; I39-C79 WeakPolarHBondContact O-CB 3.38Å; G42-C79 WeakPolarHBondContact CA-O 3.42Å; F75-C79 PolarHBondContact O-N 3.17Å; F75-C79 PolarHBondContact O-SG 3.3Å; F75-C79 VanDerWaalsContact O-SG 3.37Å; Q76-C79 WeakPolarHBondContact O-CB 3.41Å; Q76-C79 PolarHBondContact O-N 3.17Å; L77-C79 PolarHBondContact O-N 2.93Å; C79-G83 PolarHBondContact O-N 2.87Å; C79-G83 VanDerWaalsContact O-N 3.11Å; C79-I118 HydrophobicContact CB-CG2 3.79Å; C79-A122 HydrophobicContact CB-CB 4.37Å; C79-A122 WeakPolarHBondContact SG-CB 3.39Å
80M95.6Very high94.2Very high0 Ų032.3 Ų32.30%019%0.191CC..Hα-helixtrans-73.2-28.3177.3-63.1-55.7-54.200113F14 L17 A37 F44 W72 Q76 L77 R78F14-M80 HydrophobicContact CE1-CB 4.19Å; F14-M80 HydrophobicContact CE1-CG 4.01Å; F14-M80 HydrophobicContact CZ-CG 4.31Å; L17-M80 HydrophobicContact CD1-CB 3.81Å; A37-M80 HydrophobicContact CB-CE 3.6Å; A37-M80 HydrophobicContact CB-SD 3.8Å; F44-M80 HydrophobicContact CD1-CE 4.29Å; F44-M80 HydrophobicContact CD2-CE 3.91Å; F44-M80 HydrophobicContact CE1-CE 3.97Å; F44-M80 HydrophobicContact CE2-CE 3.54Å; F44-M80 HydrophobicContact CG-CE 4.25Å; F44-M80 HydrophobicContact CZ-CE 3.57Å; W72-M80 HydrophobicContact CH2-CG 4.31Å; W72-M80 HydrophobicContact CZ3-CG 3.97Å; Q76-M80 WeakPolarHBondContact O-CG 3.33Å; Q76-M80 PolarHBondContact O-N 3.4Å; L77-M80 PolarHBondContact O-N 3.31Å; L77-M80 VanDerWaalsContact O-N 3.12Å; R78-M80 VanDerWaalsContact C-N 3.27Å; R78-M80 PolarHBondContact O-N 3.06Å
81Q93.4Very high94.5Very high32 Ų3230 Ų3015%0.1517%0.173CC..Hα-helixtrans-76.9-43.8177.4-70.5179.3-38.900113.1I13 L17 L77 R78 W134I13-Q81 HydrophobicContact CG2-CG 4.07Å; L17-Q81 HydrophobicContact CD1-CG 4.16Å; L17-Q81 HydrophobicContact CD2-CG 4.45Å; L77-Q81 WeakPolarHBondContact O-CG 3.48Å; L77-Q81 PolarHBondContact O-N 2.69Å; R78-Q81 PolarHBondContact O-N 3.42Å; R78-Q81 VanDerWaalsContact O-N 3.08Å; Q81-W134 HydrophobicContact CB-CE3 4.42Å; Q81-W134 HydrophobicContact CB-CZ3 4.09Å; Q81-W134 PolarHBondContact NE2-O 3.3Å
82V94.6Very high94.7Very high21 Ų2125 Ų2513%0.12715%0.146CC..Hα-helixtrans-80.6-18.3178.7-53.90000113.3R78 N87 I118 L121 A122 A125 W134R78-V82 WeakPolarHBondContact O-CG2 3.4Å; R78-V82 PolarHBondContact O-N 3.41Å; V82-N87 PolarHBondContact O-ND2 2.82Å; V82-I118 HydrophobicContact CG2-CD1 4.1Å; V82-L121 HydrophobicContact CB-CB 3.9Å; V82-L121 HydrophobicContact CG1-CB 4.2Å; V82-L121 HydrophobicContact CG2-CB 3.65Å; V82-A122 HydrophobicContact CG2-CB 4.39Å; V82-A125 HydrophobicContact CG1-CB 4.06Å; V82-W134 HydrophobicContact CG1-CH2 4.18Å; V82-W134 HydrophobicContact CG1-CZ3 3.98Å
83G94.8Very high94.7Very high4 Ų433.5 Ų33.54%0.04118%0.178CC..  trans-82.6-116.3176.500000112.9C79 N87C79-G83 PolarHBondContact O-N 2.87Å; C79-G83 VanDerWaalsContact O-N 3.11Å; G83-N87 WeakPolarHBondContact O-CB 3.48Å; G83-N87 PolarHBondContact O-ND2 3.11Å
84G94.9Very high94.7Very high8 Ų836.6 Ų36.68%0.08219%0.19CC..  trans86.2151.8-170.800000113.2G42 A86 N87 A88G42-G84 WeakPolarHBondContact O-CA 3.41Å; G42-G84 PolarHBondContact O-N 3.14Å; G84-A86 VanDerWaalsContact C-N 3.28Å; G84-A86 PolarHBondContact O-N 3.03Å; G84-N87 PolarHBondContact O-N 3.14Å; G84-A88 PolarHBondContact O-N 2.92Å; G84-A88 VanDerWaalsContact O-N 3.14Å
85N95.4Very high94.8Very high5 Ų539.9 Ų39.93%0.02721%0.206CC..Hα-helixtrans-67.7-29.1-171.4-68.97.3000112.3T22 N23 A25 F27 V43 F44 T89T22-N85 WeakPolarHBondContact O-CB 3.21Å; N23-N85 PolarHBondContact OD1-N 3.43Å; A25-N85 PolarHBondContact O-ND2 3.01Å; F27-N85 HydrophobicContact CD2-CB 4.47Å; V43-N85 VanDerWaalsContact CA-OD1 3.29Å; V43-N85 WeakPolarHBondContact CA-OD1 3.14Å; V43-N85 WeakPolarHBondContact CB-OD1 3.29Å; F44-N85 PolarHBondContact N-OD1 3.17Å; F44-N85 PolarHBondContact O-ND2 3.35Å; N85-T89 VanDerWaalsContact O-CB 3.3Å; N85-T89 WeakPolarHBondContact O-CB 3.35Å; N85-T89 PolarHBondContact O-N 2.98Å; N85-T89 PolarHBondContact O-OG1 2.88Å
86A94.9Very high94.5Very high42 Ų4240.5 Ų40.535%0.34723%0.227SC..Hα-helixtrans-64.2-51.5174.100000112T22 G84 A88 T89 A90T22-A86 HydrophobicContact CG2-CB 4.07Å; G84-A86 VanDerWaalsContact C-N 3.28Å; G84-A86 PolarHBondContact O-N 3.03Å; A86-A88 VanDerWaalsContact C-N 3.3Å; A86-A88 PolarHBondContact O-N 3.12Å; A86-T89 PolarHBondContact O-N 3.08Å; A86-A90 PolarHBondContact O-N 2.94Å
87N95Very high94Very high91 Ų9139.6 Ų39.649%0.48723%0.225SC..Hα-helixtrans-62.7-39.3-179.4-69.4-8000111.3V82 G83 G84 F91V82-N87 PolarHBondContact O-ND2 2.82Å; G83-N87 WeakPolarHBondContact O-CB 3.48Å; G83-N87 PolarHBondContact O-ND2 3.11Å; G84-N87 PolarHBondContact O-N 3.14Å; N87-F91 WeakPolarHBondContact O-CB 3.38Å; N87-F91 PolarHBondContact O-N 3.42Å
88A95.6Very high93.4Very high0 Ų044.4 Ų44.40%026%0.258CS..Hα-helixtrans-62.6-50.5172.500000111.5F27 V43 G84 A86 A90 F91 F92 Y114F27-A88 HydrophobicContact CD2-CB 4.11Å; F27-A88 HydrophobicContact CE1-CB 4.43Å; F27-A88 HydrophobicContact CE2-CB 3.57Å; F27-A88 HydrophobicContact CZ-CB 3.75Å; V43-A88 HydrophobicContact CG1-CB 3.41Å; V43-A88 VanDerWaalsContact CG1-CB 3.41Å; G84-A88 PolarHBondContact O-N 2.92Å; G84-A88 VanDerWaalsContact O-N 3.14Å; A86-A88 VanDerWaalsContact C-N 3.3Å; A86-A88 PolarHBondContact O-N 3.12Å; A88-A90 VanDerWaalsContact C-N 3.31Å; A88-A90 PolarHBondContact O-N 2.8Å; A88-F91 PolarHBondContact O-N 2.9Å; A88-F92 WeakPolarHBondContact O-CD2 3.48Å; A88-F92 PolarHBondContact O-N 2.89Å; A88-Y114 WeakPolarHBondContact CA-OH 3.41Å; A88-Y114 HydrophobicContact CB-CD1 4.43Å; A88-Y114 HydrophobicContact CB-CE1 3.49Å; A88-Y114 VanDerWaalsContact CB-CE1 3.49Å; A88-Y114 PolarHBondContact N-OH 3.21Å; A88-Y114 VanDerWaalsContact N-OH 3.12Å
89T94.6Very high93.1Very high47 Ų4747.1 Ų47.129%0.28828%0.275SS..Hα-helixtrans-59.8-41.7-179-58.40000111.8N85 A86 R93N85-T89 VanDerWaalsContact O-CB 3.3Å; N85-T89 WeakPolarHBondContact O-CB 3.35Å; N85-T89 PolarHBondContact O-N 2.98Å; N85-T89 PolarHBondContact O-OG1 2.88Å; A86-T89 PolarHBondContact O-N 3.08Å; T89-R93 WeakPolarHBondContact O-CB 3.08Å; T89-R93 WeakPolarHBondContact O-CD 3.33Å; T89-R93 WeakPolarHBondContact O-CG 3.41Å; T89-R93 PolarHBondContact O-N 2.74Å
90A94.9Very high92.6Very high59 Ų5954.3 Ų54.349%0.48831%0.313SS..Hα-helixtrans-62.8-48174.900000111.8A86 A88 R93 Q94A86-A90 PolarHBondContact O-N 2.94Å; A88-A90 VanDerWaalsContact C-N 3.31Å; A88-A90 PolarHBondContact O-N 2.8Å; A90-R93 PolarHBondContact O-N 3.32Å; A90-Q94 WeakPolarHBondContact O-CB 3.45Å; A90-Q94 PolarHBondContact O-N 3.32Å
91F96Very high92.4Very high14 Ų1458.2 Ų58.26%0.06133%0.334CS..Hα-helixtrans-66-45.5-178.1-170.1-91.3000113.2N87 A88 R93 Q94 H95 M113 Y114 K117N87-F91 WeakPolarHBondContact O-CB 3.38Å; N87-F91 PolarHBondContact O-N 3.42Å; A88-F91 PolarHBondContact O-N 2.9Å; F91-R93 VanDerWaalsContact C-N 3.32Å; F91-R93 PolarHBondContact O-N 3.33Å; F91-Q94 PolarHBondContact O-N 3.43Å; F91-H95 AromaticContact CD1-CD2 3.74Å; F91-H95 AromaticContact CD2-CD2 3.83Å; F91-H95 AromaticContact CD2-NE2 3.91Å; F91-H95 AromaticContact CE1-CD2 3.4Å; F91-H95 VanDerWaalsContact CE1-CD2 3.4Å; F91-H95 WeakPolarHBondContact CE1-CD2 3.49Å; F91-H95 AromaticContact CE1-NE2 3.9Å; F91-H95 AromaticContact CE2-CD2 3.52Å; F91-H95 AromaticContact CE2-NE2 3.26Å; F91-H95 VanDerWaalsContact CE2-NE2 3.26Å; F91-H95 WeakPolarHBondContact CE2-NE2 3.3Å; F91-H95 AromaticContact CG-CD2 3.96Å; F91-H95 AromaticContact CZ-CD2 3.31Å; F91-H95 WeakPolarHBondContact CZ-CD2 3.4Å; F91-H95 AromaticContact CZ-NE2 3.27Å; F91-H95 VanDerWaalsContact CZ-NE2 3.27Å; F91-H95 WeakPolarHBondContact CZ-NE2 3.4Å; F91-H95 PolarHBondContact O-CD2 3.33Å; F91-H95 PolarHBondContact O-N 2.73Å; F91-M113 HydrophobicContact CE1-CB 4.2Å; F91-M113 HydrophobicContact CZ-CB 3.98Å; F91-Y114 HydrophobicContact CB-CD2 3.84Å; F91-Y114 HydrophobicContact CB-CE2 3.96Å; F91-Y114 AromaticContact CD1-CD2 3.39Å; F91-Y114 HydrophobicContact CD1-CD2 3.39Å; F91-Y114 HydrophobicContact CD1-CE2 4.35Å; F91-Y114 AromaticContact CD1-CG 3.65Å; F91-Y114 HydrophobicContact CD1-CG 3.65Å; F91-Y114 HydrophobicContact CD2-CD2 4.07Å; F91-Y114 VanDerWaalsContact CE1-CB 3.49Å; F91-Y114 AromaticContact CE1-CD2 3.9Å; F91-Y114 HydrophobicContact CE1-CD2 3.9Å; F91-Y114 HydrophobicContact CE1-CG 4.07Å; F91-Y114 HydrophobicContact CE2-CD2 4.49Å; F91-Y114 AromaticContact CG-CD2 3.48Å; F91-Y114 HydrophobicContact CG-CD2 3.48Å; F91-Y114 VanDerWaalsContact CG-CD2 3.48Å; F91-Y114 HydrophobicContact CG-CE2 4.05Å; F91-Y114 HydrophobicContact CG-CG 4.19Å; F91-Y114 HydrophobicContact CZ-CD2 4.4Å; F91-K117 HydrophobicContact CD2-CD 3.9Å; F91-K117 HydrophobicContact CE2-CD 3.61Å; F91-K117 HydrophobicContact CZ-CD 4.35Å
92F95Very high92.3Very high6 Ų657.5 Ų57.53%0.02633%0.332CS..Hα-helixtrans-62.5-38.8177.3-87.6-93.2000111.7F27 Y41 A88 G96 C97 K105 Y106 A110 A111 Y114F27-F92 HydrophobicContact CE1-CD2 4.42Å; F27-F92 HydrophobicContact CE1-CE2 4.2Å; F27-F92 AromaticContact CZ-CD2 3.75Å; F27-F92 HydrophobicContact CZ-CD2 3.75Å; F27-F92 AromaticContact CZ-CE2 3.97Å; F27-F92 HydrophobicContact CZ-CE2 3.97Å; F27-F92 HydrophobicContact CZ-CG 4.32Å; Y41-F92 HydrophobicContact CD1-CZ 4.45Å; Y41-F92 HydrophobicContact CE1-CZ 4.44Å; A88-F92 WeakPolarHBondContact O-CD2 3.48Å; A88-F92 PolarHBondContact O-N 2.89Å; F92-G96 PolarHBondContact O-N 2.79Å; F92-C97 HydrophobicContact CD1-CB 3.91Å; F92-C97 WeakPolarHBondContact O-CA 3.01Å; F92-C97 PolarHBondContact O-N 3.02Å; F92-K105 HydrophobicContact CD1-CG 4.18Å; F92-K105 HydrophobicContact CE1-CG 3.79Å; F92-Y106 HydrophobicContact CZ-CD1 4.27Å; F92-Y106 HydrophobicContact CZ-CE1 4.08Å; F92-A110 HydrophobicContact CD1-CB 4.39Å; F92-A111 HydrophobicContact CE1-CB 3.95Å; F92-A111 HydrophobicContact CZ-CB 3.86Å; F92-Y114 HydrophobicContact CD2-CD1 4.34Å; F92-Y114 AromaticContact CE2-CD1 3.75Å; F92-Y114 HydrophobicContact CE2-CD1 3.75Å; F92-Y114 HydrophobicContact CE2-CE1 4.47Å; F92-Y114 HydrophobicContact CE2-CG 4.33Å
93R92.9Very high92.1Very high187 Ų18760.8 Ų60.871%0.70635%0.348SS*.Hα-helixtrans-65.3-46.4172.5-73.1173.5-179.4-174.60.1112.4T89 A90 F91 H95 G96T89-R93 WeakPolarHBondContact O-CB 3.08Å; T89-R93 WeakPolarHBondContact O-CD 3.33Å; T89-R93 WeakPolarHBondContact O-CG 3.41Å; T89-R93 PolarHBondContact O-N 2.74Å; A90-R93 PolarHBondContact O-N 3.32Å; F91-R93 VanDerWaalsContact C-N 3.32Å; F91-R93 PolarHBondContact O-N 3.33Å; R93-H95 PolarHBondContact O-N 2.86Å; R93-G96 PolarHBondContact O-N 3.38Å
94Q95Very high92Very high151 Ų15162.8 Ų62.871%0.70637%0.365SS*.Hα-helixtrans-58.8-36179.1-174.91781300112.4A90 F91 G96A90-Q94 WeakPolarHBondContact O-CB 3.45Å; A90-Q94 PolarHBondContact O-N 3.32Å; F91-Q94 PolarHBondContact O-N 3.43Å; Q94-G96 VanDerWaalsContact C-N 3.35Å
95H93.1Very high92Very high79 Ų7963.3 Ų63.337%0.36637%0.365SS..THydrogen-bonded Turntrans-94.624.7177.1-68.1-71.8000113.9F91 R93 C97 A110 M113F91-H95 AromaticContact CD1-CD2 3.74Å; F91-H95 AromaticContact CD2-CD2 3.83Å; F91-H95 AromaticContact CD2-NE2 3.91Å; F91-H95 AromaticContact CE1-CD2 3.4Å; F91-H95 VanDerWaalsContact CE1-CD2 3.4Å; F91-H95 WeakPolarHBondContact CE1-CD2 3.49Å; F91-H95 AromaticContact CE1-NE2 3.9Å; F91-H95 AromaticContact CE2-CD2 3.52Å; F91-H95 AromaticContact CE2-NE2 3.26Å; F91-H95 VanDerWaalsContact CE2-NE2 3.26Å; F91-H95 WeakPolarHBondContact CE2-NE2 3.3Å; F91-H95 AromaticContact CG-CD2 3.96Å; F91-H95 AromaticContact CZ-CD2 3.31Å; F91-H95 WeakPolarHBondContact CZ-CD2 3.4Å; F91-H95 AromaticContact CZ-NE2 3.27Å; F91-H95 VanDerWaalsContact CZ-NE2 3.27Å; F91-H95 WeakPolarHBondContact CZ-NE2 3.4Å; F91-H95 PolarHBondContact O-CD2 3.33Å; F91-H95 PolarHBondContact O-N 2.73Å; R93-H95 PolarHBondContact O-N 2.86Å; H95-C97 PolarHBondContact O-N 3.42Å; H95-C97 VanDerWaalsContact O-N 3.14Å; H95-A110 HydrophobicContact CB-CB 3.72Å; H95-M113 HydrophobicContact CB-CE 4.3Å; H95-M113 WeakPolarHBondContact ND1-CE 3.29Å
96G88.3Confident92Very high66 Ų6663 Ų6368%0.6836%0.363SS*.THydrogen-bonded Turntrans67.113.5170.200000115.8F92 R93 Q94 S98F92-G96 PolarHBondContact O-N 2.79Å; R93-G96 PolarHBondContact O-N 3.38Å; Q94-G96 VanDerWaalsContact C-N 3.35Å; G96-S98 PolarHBondContact O-N 3.26Å
97C84.7Confident92Very high16 Ų1664.4 Ų64.411%0.10837%0.365CS..  trans-101.277.4-174.9-168.90000110.7F92 H95 S108 A110F92-C97 HydrophobicContact CD1-CB 3.91Å; F92-C97 WeakPolarHBondContact O-CA 3.01Å; F92-C97 PolarHBondContact O-N 3.02Å; H95-C97 PolarHBondContact O-N 3.42Å; H95-C97 VanDerWaalsContact O-N 3.14Å; C97-S108 PolarHBondContact SG-OG 2.91Å; C97-A110 HydrophobicContact CB-CB 3.6Å
98S82.5Confident91.9Very high100 Ų10061.3 Ų61.370%0.69935%0.35SS*.  trans-101.219.1178.461.70000113.9G96G96-S98 PolarHBondContact O-N 3.26Å
99T87.6Confident91.9Very high58 Ų5869 Ų6936%0.35638%0.379SS..  trans-73139.9178.1-173.80000111.7D101 A104 K105T99-D101 PolarHBondContact OG1-N 3.36Å; T99-A104 HydrophobicContact CG2-CB 4.09Å; T99-K105 HydrophobicContact CG2-CB 3.86Å
100N85.7Confident91.9Very high154 Ų15467 Ų6782%0.82437%0.368SS*.  trans-86.2-15.7176.1-63.7-35.6000112.7T102N100-T102 PolarHBondContact O-N 3.39Å
101D90.8Very high92Very high82 Ų8264.2 Ų64.244%0.43934%0.344SS..  trans-73.4118.5174.2168.441.5000110.7T99 N103 A104 K105T99-D101 PolarHBondContact OG1-N 3.36Å; D101-N103 VanDerWaalsContact C-N 3.26Å; D101-N103 PolarHBondContact O-N 3.25Å; D101-N103 PolarHBondContact OD1-N 3.2Å; D101-N103 PolarHBondContact OD2-N 3.47Å; D101-A104 HydrophobicContact CB-CB 4.29Å; D101-A104 PolarHBondContact O-N 3.41Å; D101-A104 VanDerWaalsContact OD2-CB 3.25Å; D101-A104 WeakPolarHBondContact OD2-CB 3.33Å; D101-A104 PolarHBondContact OD2-N 3.36Å; D101-K105 WeakPolarHBondContact O-CB 3.14Å; D101-K105 PolarHBondContact O-N 2.9Å
102T91.4Very high92Very high17 Ų1767.3 Ų67.310%0.10436%0.359CS..Hα-helixtrans-51.8-41.2175.5-52.30000112.5I52 L56 N100 Y106I52-T102 HydrophobicContact CB-CG2 4.32Å; I52-T102 HydrophobicContact CG2-CG2 3.59Å; L56-T102 HydrophobicContact CD1-CG2 4.23Å; N100-T102 PolarHBondContact O-N 3.39Å; T102-Y106 HydrophobicContact CG2-CD2 3.76Å; T102-Y106 HydrophobicContact CG2-CE2 3.87Å; T102-Y106 WeakPolarHBondContact O-CD2 3.47Å; T102-Y106 PolarHBondContact O-N 3.27Å; T102-Y106 VanDerWaalsContact O-N 3.16Å
103N91.9Very high92Very high90 Ų9069.8 Ų69.848%0.48137%0.371SS..Hα-helixtrans-70.8-51.6-174.7-164.4-47.3000111.7L56 D101 K105 Y106 N107L56-N103 HydrophobicContact CD2-CB 4.43Å; D101-N103 VanDerWaalsContact C-N 3.26Å; D101-N103 PolarHBondContact O-N 3.25Å; D101-N103 PolarHBondContact OD1-N 3.2Å; D101-N103 PolarHBondContact OD2-N 3.47Å; N103-K105 PolarHBondContact O-N 2.85Å; N103-Y106 PolarHBondContact O-N 2.96Å; N103-N107 WeakPolarHBondContact O-CB 3.24Å; N103-N107 PolarHBondContact O-N 3.26Å; N103-N107 VanDerWaalsContact O-N 3.11Å; N103-N107 PolarHBondContact O-ND2 2.98Å; N103-N107 PolarHBondContact OD1-ND2 3.04Å
104A92.6Very high92.2Very high46 Ų4661 Ų6138%0.3834%0.338SS..Hα-helixtrans-60.5-42.3174.100000112.1T99 D101 Y106 S108T99-A104 HydrophobicContact CG2-CB 4.09Å; D101-A104 HydrophobicContact CB-CB 4.29Å; D101-A104 PolarHBondContact O-N 3.41Å; D101-A104 VanDerWaalsContact OD2-CB 3.25Å; D101-A104 WeakPolarHBondContact OD2-CB 3.33Å; D101-A104 PolarHBondContact OD2-N 3.36Å; A104-Y106 PolarHBondContact O-N 3.49Å; A104-S108 WeakPolarHBondContact O-CB 3.29Å; A104-S108 PolarHBondContact O-N 3.46Å
105K94.4Very high92.3Very high19 Ų1955.7 Ų55.78%0.08331%0.312CS..Hα-helixtrans-56.2-50.4179.4-173.5176.1-179.7-175.60111.5F27 D28 F92 T99 D101 N103 S108 A111F27-K105 VanDerWaalsContact CE1-NZ 3.31Å; F27-K105 PolarHBondContact O-NZ 2.99Å; D28-K105 WeakPolarHBondContact OD1-CD 3.49Å; D28-K105 WeakPolarHBondContact OD1-CE 3.34Å; D28-K105 IonicContact OD1-NZ 3.16Å; D28-K105 PolarHBondContact OD1-NZ 2.9Å; F92-K105 HydrophobicContact CD1-CG 4.18Å; F92-K105 HydrophobicContact CE1-CG 3.79Å; T99-K105 HydrophobicContact CG2-CB 3.86Å; D101-K105 WeakPolarHBondContact O-CB 3.14Å; D101-K105 PolarHBondContact O-N 2.9Å; N103-K105 PolarHBondContact O-N 2.85Å; K105-S108 WeakPolarHBondContact O-CB 3.31Å; K105-S108 PolarHBondContact O-N 3.27Å; K105-S108 PolarHBondContact O-OG 3.27Å; K105-A111 VanDerWaalsContact O-CB 3.29Å; K105-A111 WeakPolarHBondContact O-CB 3.42Å
106Y95.1Very high92.5Very high0 Ų056.4 Ų56.40%032%0.315CS..Hα-helixtrans-87.8-16.4-173.3-66.4-62.4000115.5F27 D28 Y41 H53 L56 F92 T102 N103 A104 A111 R115F27-Y106 WeakPolarHBondContact CD1-OH 3.43Å; F27-Y106 HydrophobicContact CE1-CE1 4.3Å; F27-Y106 VanDerWaalsContact CE1-OH 3.24Å; F27-Y106 WeakPolarHBondContact CE1-OH 3.37Å; D28-Y106 VanDerWaalsContact CG-OH 3.29Å; D28-Y106 PolarHBondContact OD1-OH 3.48Å; D28-Y106 VanDerWaalsContact OD1-OH 3.12Å; D28-Y106 PolarHBondContact OD2-OH 2.78Å; Y41-Y106 HydrophobicContact CD1-CD1 4.4Å; Y41-Y106 HydrophobicContact CD1-CE1 4.36Å; Y41-Y106 HydrophobicContact CD2-CD1 4.14Å; Y41-Y106 AromaticContact CD2-CE1 3.96Å; Y41-Y106 HydrophobicContact CD2-CE1 3.96Å; Y41-Y106 AromaticContact CE1-CD1 3.77Å; Y41-Y106 HydrophobicContact CE1-CD1 3.77Å; Y41-Y106 HydrophobicContact CE1-CE1 4.18Å; Y41-Y106 AromaticContact CE2-CD1 3.55Å; Y41-Y106 HydrophobicContact CE2-CD1 3.55Å; Y41-Y106 AromaticContact CE2-CE1 3.85Å; Y41-Y106 HydrophobicContact CE2-CE1 3.85Å; Y41-Y106 HydrophobicContact CE2-CG 4.35Å; Y41-Y106 HydrophobicContact CG-CE1 4.24Å; Y41-Y106 AromaticContact CZ-CD1 3.35Å; Y41-Y106 AromaticContact CZ-CE1 3.98Å; H53-Y106 AromaticContact CE1-CD2 3.8Å; H53-Y106 AromaticContact CE1-CE1 3.99Å; H53-Y106 AromaticContact CE1-CE2 3.22Å; H53-Y106 WeakPolarHBondContact CE1-CE2 3.41Å; H53-Y106 AromaticContact CE1-CZ 3.29Å; H53-Y106 PolarHBondContact CE1-OH 3.49Å; H53-Y106 AromaticContact NE2-CD2 3.8Å; H53-Y106 AromaticContact NE2-CE2 3.07Å; H53-Y106 WeakPolarHBondContact NE2-CE2 3.33Å; H53-Y106 AromaticContact NE2-CZ 3.52Å; L56-Y106 HydrophobicContact CD1-CD2 3.9Å; L56-Y106 HydrophobicContact CD1-CG 4.2Å; F92-Y106 HydrophobicContact CZ-CD1 4.27Å; F92-Y106 HydrophobicContact CZ-CE1 4.08Å; T102-Y106 HydrophobicContact CG2-CD2 3.76Å; T102-Y106 HydrophobicContact CG2-CE2 3.87Å; T102-Y106 WeakPolarHBondContact O-CD2 3.47Å; T102-Y106 PolarHBondContact O-N 3.27Å; T102-Y106 VanDerWaalsContact O-N 3.16Å; N103-Y106 PolarHBondContact O-N 2.96Å; A104-Y106 PolarHBondContact O-N 3.49Å; Y106-A111 HydrophobicContact CD1-CB 4.36Å; Y106-A111 VanDerWaalsContact O-CB 3.31Å; Y106-A111 WeakPolarHBondContact O-CB 3.46Å; Y106-R115 PolarHBondContact O-NH2 2.98Å
107N93.8Very high92.9Very high71 Ų7157.3 Ų57.338%0.3830%0.3SS..Hα-helixtrans-82.3-18.4166.3-77.4-68000113.6L60 N103 Q112L60-N107 WeakPolarHBondContact CD1-OD1 3.45Å; N103-N107 WeakPolarHBondContact O-CB 3.24Å; N103-N107 PolarHBondContact O-N 3.26Å; N103-N107 VanDerWaalsContact O-N 3.11Å; N103-N107 PolarHBondContact O-ND2 2.98Å; N103-N107 PolarHBondContact OD1-ND2 3.04Å; N107-Q112 PolarHBondContact O-NE2 2.81Å
108S94.5Very high93.5Very high26 Ų2656.6 Ų56.618%0.18230%0.296CS..SBendtrans-55155.3179.975.30000114.3C97 A104 K105 A110 A111 Q112C97-S108 PolarHBondContact SG-OG 2.91Å; A104-S108 WeakPolarHBondContact O-CB 3.29Å; A104-S108 PolarHBondContact O-N 3.46Å; K105-S108 WeakPolarHBondContact O-CB 3.31Å; K105-S108 PolarHBondContact O-N 3.27Å; K105-S108 PolarHBondContact O-OG 3.27Å; S108-A110 PolarHBondContact O-N 2.84Å; S108-A111 PolarHBondContact O-N 3.27Å; S108-A111 VanDerWaalsContact O-N 3.14Å; S108-A111 PolarHBondContact OG-N 3.02Å; S108-A111 VanDerWaalsContact OG-N 3.15Å; S108-Q112 PolarHBondContact O-N 3.39Å; S108-Q112 VanDerWaalsContact O-N 3.15Å
109R94.5Very high94.2Very high162 Ų16258 Ų5861%0.61129%0.285SS*.Hα-helixtrans-61.2-33.2173.7-173.957.7178174.81.2112.2Q112 M113R109-Q112 VanDerWaalsContact CD-OE1 3.27Å; R109-Q112 WeakPolarHBondContact O-CB 3.4Å; R109-Q112 PolarHBondContact O-N 2.86Å; R109-M113 HydrophobicContact CG-CE 4.26Å; R109-M113 HydrophobicContact CG-SD 4.31Å; R109-M113 WeakPolarHBondContact O-CG 3.42Å; R109-M113 PolarHBondContact O-N 2.94Å
110A95.7Very high94.6Very high5 Ų560.9 Ų60.94%0.04130%0.295CS..Hα-helixtrans-58.9-46.8173.100000111.6F92 H95 C97 S108 Q112 M113 Y114F92-A110 HydrophobicContact CD1-CB 4.39Å; H95-A110 HydrophobicContact CB-CB 3.72Å; C97-A110 HydrophobicContact CB-CB 3.6Å; S108-A110 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact C-N 3.34Å; A110-Q112 PolarHBondContact O-N 3.14Å; A110-M113 PolarHBondContact O-N 3.34Å; A110-Y114 WeakPolarHBondContact O-CB 3.42Å; A110-Y114 PolarHBondContact O-N 3.12Å
111A96Very high95.1Very high0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-64.2-35.3176.500000113.2Y41 F92 K105 Y106 S108 R115Y41-A111 HydrophobicContact CE1-CB 3.84Å; Y41-A111 WeakPolarHBondContact CE1-O 3.28Å; F92-A111 HydrophobicContact CE1-CB 3.95Å; F92-A111 HydrophobicContact CZ-CB 3.86Å; K105-A111 VanDerWaalsContact O-CB 3.29Å; K105-A111 WeakPolarHBondContact O-CB 3.42Å; Y106-A111 HydrophobicContact CD1-CB 4.36Å; Y106-A111 VanDerWaalsContact O-CB 3.31Å; Y106-A111 WeakPolarHBondContact O-CB 3.46Å; S108-A111 PolarHBondContact O-N 3.27Å; S108-A111 VanDerWaalsContact O-N 3.14Å; S108-A111 PolarHBondContact OG-N 3.02Å; S108-A111 VanDerWaalsContact OG-N 3.15Å; A111-R115 WeakPolarHBondContact O-CG 3.45Å; A111-R115 PolarHBondContact O-N 3.33Å; A111-R115 VanDerWaalsContact O-N 3.14Å; A111-R115 PolarHBondContact O-NE 3.08Å
112Q95.7Very high95.3Very high79 Ų7953.1 Ų53.137%0.36925%0.253SS..Hα-helixtrans-62.9-50.5173.9-62.8169.118.400111.2N107 S108 R109 A110 Y114 R115 E116N107-Q112 PolarHBondContact O-NE2 2.81Å; S108-Q112 PolarHBondContact O-N 3.39Å; S108-Q112 VanDerWaalsContact O-N 3.15Å; R109-Q112 VanDerWaalsContact CD-OE1 3.27Å; R109-Q112 WeakPolarHBondContact O-CB 3.4Å; R109-Q112 PolarHBondContact O-N 2.86Å; A110-Q112 VanDerWaalsContact C-N 3.34Å; A110-Q112 PolarHBondContact O-N 3.14Å; Q112-Y114 VanDerWaalsContact C-N 3.32Å; Q112-Y114 PolarHBondContact O-N 2.83Å; Q112-R115 PolarHBondContact O-N 3.27Å; Q112-E116 PolarHBondContact O-N 2.91Å
113M96.4Very high95.5Very high57 Ų5756 Ų5628%0.28127%0.268SS..Hα-helixtrans-64.4-35.4179.3-64.2-177.5-55.600112.2F91 H95 R109 A110 E116 K117F91-M113 HydrophobicContact CE1-CB 4.2Å; F91-M113 HydrophobicContact CZ-CB 3.98Å; H95-M113 HydrophobicContact CB-CE 4.3Å; H95-M113 WeakPolarHBondContact ND1-CE 3.29Å; R109-M113 HydrophobicContact CG-CE 4.26Å; R109-M113 HydrophobicContact CG-SD 4.31Å; R109-M113 WeakPolarHBondContact O-CG 3.42Å; R109-M113 PolarHBondContact O-N 2.94Å; A110-M113 PolarHBondContact O-N 3.34Å; M113-E116 PolarHBondContact O-N 3.3Å; M113-K117 WeakPolarHBondContact O-CB 3.45Å; M113-K117 PolarHBondContact O-N 2.86Å
114Y97.4Very high95.6Very high4 Ų454.2 Ų54.22%0.01627%0.265CS..Hα-helixtrans-69.3-39.7178.2-162.7-130.1000112.5Y41 A88 F91 F92 A110 Q112 E116 K117 I118Y41-Y114 AromaticContact CD1-CD1 3.95Å; Y41-Y114 HydrophobicContact CD1-CD1 3.95Å; Y41-Y114 WeakPolarHBondContact O-CE1 3.42Å; A88-Y114 WeakPolarHBondContact CA-OH 3.41Å; A88-Y114 HydrophobicContact CB-CD1 4.43Å; A88-Y114 HydrophobicContact CB-CE1 3.49Å; A88-Y114 VanDerWaalsContact CB-CE1 3.49Å; A88-Y114 PolarHBondContact N-OH 3.21Å; A88-Y114 VanDerWaalsContact N-OH 3.12Å; F91-Y114 HydrophobicContact CB-CD2 3.84Å; F91-Y114 HydrophobicContact CB-CE2 3.96Å; F91-Y114 AromaticContact CD1-CD2 3.39Å; F91-Y114 HydrophobicContact CD1-CD2 3.39Å; F91-Y114 HydrophobicContact CD1-CE2 4.35Å; F91-Y114 AromaticContact CD1-CG 3.65Å; F91-Y114 HydrophobicContact CD1-CG 3.65Å; F91-Y114 HydrophobicContact CD2-CD2 4.07Å; F91-Y114 VanDerWaalsContact CE1-CB 3.49Å; F91-Y114 AromaticContact CE1-CD2 3.9Å; F91-Y114 HydrophobicContact CE1-CD2 3.9Å; F91-Y114 HydrophobicContact CE1-CG 4.07Å; F91-Y114 HydrophobicContact CE2-CD2 4.49Å; F91-Y114 AromaticContact CG-CD2 3.48Å; F91-Y114 HydrophobicContact CG-CD2 3.48Å; F91-Y114 VanDerWaalsContact CG-CD2 3.48Å; F91-Y114 HydrophobicContact CG-CE2 4.05Å; F91-Y114 HydrophobicContact CG-CG 4.19Å; F91-Y114 HydrophobicContact CZ-CD2 4.4Å; F92-Y114 HydrophobicContact CD2-CD1 4.34Å; F92-Y114 AromaticContact CE2-CD1 3.75Å; F92-Y114 HydrophobicContact CE2-CD1 3.75Å; F92-Y114 HydrophobicContact CE2-CE1 4.47Å; F92-Y114 HydrophobicContact CE2-CG 4.33Å; A110-Y114 WeakPolarHBondContact O-CB 3.42Å; A110-Y114 PolarHBondContact O-N 3.12Å; Q112-Y114 VanDerWaalsContact C-N 3.32Å; Q112-Y114 PolarHBondContact O-N 2.83Å; Y114-E116 VanDerWaalsContact C-N 3.28Å; Y114-E116 PolarHBondContact O-N 2.92Å; Y114-K117 HydrophobicContact CD2-CD 4.42Å; Y114-K117 PolarHBondContact O-N 2.87Å; Y114-I118 HydrophobicContact CD1-CG1 4.42Å; Y114-I118 HydrophobicContact CD2-CG1 4.33Å; Y114-I118 HydrophobicContact CE1-CD1 4.44Å; Y114-I118 HydrophobicContact CE1-CG1 4.07Å; Y114-I118 HydrophobicContact CE2-CD1 4.03Å; Y114-I118 HydrophobicContact CE2-CG1 3.99Å; Y114-I118 WeakPolarHBondContact O-CB 3.49Å; Y114-I118 WeakPolarHBondContact O-CG1 3.28Å; Y114-I118 PolarHBondContact O-N 3.37Å
115R96.3Very high95.6Very high39 Ų3952.3 Ų52.315%0.14725%0.25CC..Hα-helixtrans-58.2-41.4173-76.6-178.6-87.4166.8-14.3112.2S40 Y41 H59 Y106 A111 Q112 R119S40-R115 WeakPolarHBondContact O-CA 3.29Å; S40-R115 WeakPolarHBondContact O-CG 3.42Å; Y41-R115 HydrophobicContact CD1-CG 3.74Å; Y41-R115 HydrophobicContact CE1-CG 3.36Å; Y41-R115 HydrophobicContact CE2-CG 4.37Å; Y41-R115 HydrophobicContact CG-CG 4.43Å; Y41-R115 WeakPolarHBondContact OH-CD 3.21Å; Y41-R115 PolarHBondContact OH-NE 3.44Å; H59-R115 PolarHBondContact O-NH1 3.4Å; Y106-R115 PolarHBondContact O-NH2 2.98Å; A111-R115 WeakPolarHBondContact O-CG 3.45Å; A111-R115 PolarHBondContact O-N 3.33Å; A111-R115 VanDerWaalsContact O-N 3.14Å; A111-R115 PolarHBondContact O-NE 3.08Å; Q112-R115 PolarHBondContact O-N 3.27Å; R115-R119 WeakPolarHBondContact O-CB 3.33Å; R115-R119 PolarHBondContact O-N 2.71Å
116E97.1Very high95.4Very high93 Ų9354 Ų5444%0.43526%0.259SS..Hα-helixtrans-69.5-45.7177.9179.7150-134.600112Q112 M113 Y114 I118 R119 Q120Q112-E116 PolarHBondContact O-N 2.91Å; M113-E116 PolarHBondContact O-N 3.3Å; Y114-E116 VanDerWaalsContact C-N 3.28Å; Y114-E116 PolarHBondContact O-N 2.92Å; E116-I118 PolarHBondContact O-N 2.87Å; E116-R119 WeakPolarHBondContact O-CB 3.16Å; E116-R119 PolarHBondContact O-N 3.5Å; E116-Q120 HydrophobicContact CG-CG 4.48Å; E116-Q120 WeakPolarHBondContact O-CG 3.48Å; E116-Q120 PolarHBondContact O-N 3.48Å
117K97Very high95.2Very high85 Ų8559.1 Ų59.137%0.3730%0.295SS..Hα-helixtrans-56-46.4173.7-176.9175.8-179.6178.20112F91 M113 Y114 Q120 L121F91-K117 HydrophobicContact CD2-CD 3.9Å; F91-K117 HydrophobicContact CE2-CD 3.61Å; F91-K117 HydrophobicContact CZ-CD 4.35Å; M113-K117 WeakPolarHBondContact O-CB 3.45Å; M113-K117 PolarHBondContact O-N 2.86Å; Y114-K117 HydrophobicContact CD2-CD 4.42Å; Y114-K117 PolarHBondContact O-N 2.87Å; K117-Q120 PolarHBondContact O-N 3.28Å; K117-L121 HydrophobicContact CG-CD1 3.91Å; K117-L121 HydrophobicContact CG-CG 4.44Å; K117-L121 WeakPolarHBondContact O-CB 3.22Å; K117-L121 VanDerWaalsContact O-CG 3.29Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.14Å
118I97.4Very high94.9Very high2 Ų263.4 Ų63.41%0.0131%0.31CS..Hα-helixtrans-64.2-42.5177.4-69.1-64.9000111.3C79 V82 Y114 E116 Q120 L121 A122C79-I118 HydrophobicContact CB-CG2 3.79Å; V82-I118 HydrophobicContact CG2-CD1 4.1Å; Y114-I118 HydrophobicContact CD1-CG1 4.42Å; Y114-I118 HydrophobicContact CD2-CG1 4.33Å; Y114-I118 HydrophobicContact CE1-CD1 4.44Å; Y114-I118 HydrophobicContact CE1-CG1 4.07Å; Y114-I118 HydrophobicContact CE2-CD1 4.03Å; Y114-I118 HydrophobicContact CE2-CG1 3.99Å; Y114-I118 WeakPolarHBondContact O-CB 3.49Å; Y114-I118 WeakPolarHBondContact O-CG1 3.28Å; Y114-I118 PolarHBondContact O-N 3.37Å; E116-I118 PolarHBondContact O-N 2.87Å; I118-Q120 PolarHBondContact O-N 3.47Å; I118-L121 PolarHBondContact O-N 2.64Å; I118-A122 WeakPolarHBondContact O-CB 3.48Å; I118-A122 PolarHBondContact O-N 3.41Å
119R96.4Very high94.5Very high129 Ų12966 Ų6649%0.48732%0.317SS..Hα-helixtrans-59.4-45.3174.5-174.3-168.7-59.6120.50.2112.2F75 R115 E116 N123F75-R119 HydrophobicContact CZ-CB 4.5Å; F75-R119 HydrophobicContact CZ-CG 4.01Å; R115-R119 WeakPolarHBondContact O-CB 3.33Å; R115-R119 PolarHBondContact O-N 2.71Å; E116-R119 WeakPolarHBondContact O-CB 3.16Å; E116-R119 PolarHBondContact O-N 3.5Å; R119-N123 WeakPolarHBondContact O-CB 3.44Å; R119-N123 PolarHBondContact O-N 3.32Å
120Q97Very high93.9Very high118 Ų11859.7 Ų59.755%0.55130%0.303SS*.Hα-helixtrans-65.2-47.4179.4-70.9172.21.200111.7E116 K117 I118 N123 A124E116-Q120 HydrophobicContact CG-CG 4.48Å; E116-Q120 WeakPolarHBondContact O-CG 3.48Å; E116-Q120 PolarHBondContact O-N 3.48Å; K117-Q120 PolarHBondContact O-N 3.28Å; I118-Q120 PolarHBondContact O-N 3.47Å; Q120-N123 PolarHBondContact O-N 3.42Å; Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.15Å
121L95.6Very high93Very high73 Ų7362.5 Ų62.538%0.38232%0.319SS..Hα-helixtrans-64.6-40177.3-69.7173000112.3V82 K117 I118 A124 A125V82-L121 HydrophobicContact CB-CB 3.9Å; V82-L121 HydrophobicContact CG1-CB 4.2Å; V82-L121 HydrophobicContact CG2-CB 3.65Å; K117-L121 HydrophobicContact CG-CD1 3.91Å; K117-L121 HydrophobicContact CG-CG 4.44Å; K117-L121 WeakPolarHBondContact O-CB 3.22Å; K117-L121 VanDerWaalsContact O-CG 3.29Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.14Å; I118-L121 PolarHBondContact O-N 2.64Å; L121-A124 PolarHBondContact O-N 2.89Å; L121-A125 WeakPolarHBondContact O-CB 3.32Å; L121-A125 PolarHBondContact O-N 3.25Å
122A95.2Very high92Very high0 Ų069.4 Ų69.40%035%0.351CS..Hα-helixtrans-66.8-39.2177.300000112.1F75 R78 C79 V82 I118 A125 L126F75-A122 HydrophobicContact CD2-CB 4.07Å; F75-A122 HydrophobicContact CE2-CB 3.57Å; F75-A122 HydrophobicContact CZ-CB 4.09Å; R78-A122 HydrophobicContact CB-CB 3.9Å; C79-A122 HydrophobicContact CB-CB 4.37Å; C79-A122 WeakPolarHBondContact SG-CB 3.39Å; V82-A122 HydrophobicContact CG2-CB 4.39Å; I118-A122 WeakPolarHBondContact O-CB 3.48Å; I118-A122 PolarHBondContact O-N 3.41Å; A122-A125 PolarHBondContact O-N 3.43Å; A122-L126 VanDerWaalsContact O-CB 3.29Å; A122-L126 WeakPolarHBondContact O-CB 3.16Å; A122-L126 PolarHBondContact O-N 3.49Å
123N95Very high90.9Very high78 Ų7869 Ų6942%0.41735%0.351SS..Hα-helixtrans-62.4-46.6170.6-80.8-17.3000111.4F75 R119 Q120 A125 L126 S127F75-N123 WeakPolarHBondContact CD2-OD1 3.39Å; F75-N123 WeakPolarHBondContact CE2-OD1 3.38Å; R119-N123 WeakPolarHBondContact O-CB 3.44Å; R119-N123 PolarHBondContact O-N 3.32Å; Q120-N123 PolarHBondContact O-N 3.42Å; N123-A125 VanDerWaalsContact C-N 3.33Å; N123-A125 PolarHBondContact O-N 3.38Å; N123-L126 PolarHBondContact O-N 3.05Å; N123-L126 VanDerWaalsContact O-N 3.13Å; N123-S127 PolarHBondContact O-N 3.2Å; N123-S127 PolarHBondContact O-OG 3.26Å
124A94.3Very high89.7Confident52 Ų5268.5 Ų68.543%0.4335%0.346SS..Hα-helixtrans-62.1-38.7178.400000112.6Q120 L121 K128Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.15Å; L121-A124 PolarHBondContact O-N 2.89Å; A124-K128 WeakPolarHBondContact O-CG 3.41Å; A124-K128 PolarHBondContact O-N 3.12Å; A124-K128 VanDerWaalsContact O-N 3.15Å
125A92.1Very high88.4Confident7 Ų770.3 Ų70.36%0.05836%0.356CS..Hα-helixtrans-67.7-38.4172.600000112.2R78 V82 L121 A122 N123 K128 Y129 W134R78-A125 HydrophobicContact CB-CB 4.3Å; R78-A125 HydrophobicContact CG-CB 4.18Å; V82-A125 HydrophobicContact CG1-CB 4.06Å; L121-A125 WeakPolarHBondContact O-CB 3.32Å; L121-A125 PolarHBondContact O-N 3.25Å; A122-A125 PolarHBondContact O-N 3.43Å; N123-A125 VanDerWaalsContact C-N 3.33Å; N123-A125 PolarHBondContact O-N 3.38Å; A125-K128 PolarHBondContact O-N 3.26Å; A125-Y129 HydrophobicContact CB-CD2 4.32Å; A125-Y129 VanDerWaalsContact O-CD2 3.28Å; A125-Y129 WeakPolarHBondContact O-CD2 3.07Å; A125-Y129 PolarHBondContact O-N 2.86Å; A125-W134 HydrophobicContact CB-CE3 4.17Å; A125-W134 HydrophobicContact CB-CZ3 3.75Å
126L91.3Very high86.6Confident53 Ų5373.2 Ų73.228%0.27737%0.374SS..Hα-helixtrans-67.3-37.7176.4-170.166.6000112W74 F75 R78 A122 N123 K128 G130W74-L126 HydrophobicContact CB-CD1 3.98Å; F75-L126 HydrophobicContact CB-CD2 4.2Å; F75-L126 HydrophobicContact CD2-CD2 4.38Å; R78-L126 HydrophobicContact CG-CB 4.27Å; R78-L126 HydrophobicContact CG-CD1 4.41Å; A122-L126 VanDerWaalsContact O-CB 3.29Å; A122-L126 WeakPolarHBondContact O-CB 3.16Å; A122-L126 PolarHBondContact O-N 3.49Å; N123-L126 PolarHBondContact O-N 3.05Å; N123-L126 VanDerWaalsContact O-N 3.13Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-G130 WeakPolarHBondContact O-CA 3.16Å; L126-G130 PolarHBondContact O-N 2.97Å
127S90.1Very high84Confident108 Ų10874 Ų7476%0.75539%0.39SS*.Hα-helixtrans-69.3-28.2174-63.80000113.7N123N123-S127 PolarHBondContact O-N 3.2Å; N123-S127 PolarHBondContact O-OG 3.26Å
128K87.9Confident81.2Confident161 Ų16173.6 Ų73.670%0.740%0.398SS*.Hα-helixtrans-84-46.1178.2-76.4-179.6175.8-171.10113.4A124 A125 L126A124-K128 WeakPolarHBondContact O-CG 3.41Å; A124-K128 PolarHBondContact O-N 3.12Å; A124-K128 VanDerWaalsContact O-N 3.15Å; A125-K128 PolarHBondContact O-N 3.26Å; L126-K128 VanDerWaalsContact C-N 3.34Å
129Y85.3Confident78.5Confident81 Ų8177.9 Ų77.932%0.31843%0.434SS..Hα-helixtrans-111.4-2.3-169.3-52.2-66.5000113.7A125 T131 E132 W134A125-Y129 HydrophobicContact CB-CD2 4.32Å; A125-Y129 VanDerWaalsContact O-CD2 3.28Å; A125-Y129 WeakPolarHBondContact O-CD2 3.07Å; A125-Y129 PolarHBondContact O-N 2.86Å; Y129-T131 PolarHBondContact O-N 3.06Å; Y129-E132 VanDerWaalsContact O-CB 3.25Å; Y129-E132 WeakPolarHBondContact O-CB 3.45Å; Y129-E132 PolarHBondContact O-N 3.21Å; Y129-W134 HydrophobicContact CD1-CB 4.08Å; Y129-W134 HydrophobicContact CD1-CG 4.03Å; Y129-W134 HydrophobicContact CD2-CB 3.83Å; Y129-W134 AromaticContact CD2-CD2 3.44Å; Y129-W134 HydrophobicContact CD2-CD2 3.44Å; Y129-W134 VanDerWaalsContact CD2-CD2 3.44Å; Y129-W134 AromaticContact CD2-CE3 3.69Å; Y129-W134 HydrophobicContact CD2-CE3 3.69Å; Y129-W134 AromaticContact CD2-CG 3.5Å; Y129-W134 HydrophobicContact CD2-CG 3.5Å; Y129-W134 HydrophobicContact CD2-CZ3 4.43Å; Y129-W134 AromaticContact CE1-CD1 3.78Å; Y129-W134 HydrophobicContact CE1-CG 4.14Å; Y129-W134 HydrophobicContact CE2-CB 4.41Å; Y129-W134 AromaticContact CE2-CD1 3.77Å; Y129-W134 AromaticContact CE2-CD2 3.31Å; Y129-W134 HydrophobicContact CE2-CD2 3.31Å; Y129-W134 AromaticContact CE2-CE2 3.36Å; Y129-W134 AromaticContact CE2-CE3 3.77Å; Y129-W134 HydrophobicContact CE2-CE3 3.77Å; Y129-W134 AromaticContact CE2-CG 3.6Å; Y129-W134 HydrophobicContact CE2-CG 3.6Å; Y129-W134 HydrophobicContact CE2-CH2 4.28Å; Y129-W134 AromaticContact CE2-CZ2 3.87Å; Y129-W134 HydrophobicContact CE2-CZ2 3.87Å; Y129-W134 HydrophobicContact CE2-CZ3 4.23Å; Y129-W134 AromaticContact CE2-NE1 3.65Å; Y129-W134 HydrophobicContact CG-CB 3.64Å; Y129-W134 HydrophobicContact CG-CD2 4.18Å; Y129-W134 AromaticContact CG-CG 3.73Å; Y129-W134 HydrophobicContact CG-CG 3.73Å; Y129-W134 AromaticContact CZ-CD1 3.62Å; Y129-W134 AromaticContact CZ-CD2 3.97Å; Y129-W134 AromaticContact CZ-CE2 3.72Å; Y129-W134 AromaticContact CZ-CG 3.92Å; Y129-W134 AromaticContact CZ-NE1 3.51Å
130G82Confident75.7Confident30 Ų3075.1 Ų75.131%0.30945%0.446SS..THydrogen-bonded Turntrans49.7-128.1177.300000113.1R78 L126R78-G130 PolarHBondContact NH2-O 2.91Å; L126-G130 WeakPolarHBondContact O-CA 3.16Å; L126-G130 PolarHBondContact O-N 2.97Å
131T78.2Confident72.4Confident63 Ų6372.9 Ų72.939%0.38745%0.454SS..THydrogen-bonded Turntrans-95.616173.260.10000113.3W74 Y129W74-T131 HydrophobicContact CG-CG2 4.22Å; W74-T131 WeakPolarHBondContact CH2-O 3.35Å; W74-T131 WeakPolarHBondContact CZ2-O 3.4Å; Y129-T131 PolarHBondContact O-N 3.06Å
132E75Confident69.5Low146 Ų14675.8 Ų75.868%0.68248%0.475SS*.SBendtrans-80.4152176.1-163.1179.3166.900110.9R78 Y129 W134R78-E132 PolarHBondContact NH1-O 3.35Å; R78-E132 PolarHBondContact NH2-O 3.38Å; Y129-E132 VanDerWaalsContact O-CB 3.25Å; Y129-E132 WeakPolarHBondContact O-CB 3.45Å; Y129-E132 PolarHBondContact O-N 3.21Å; E132-W134 PolarHBondContact O-N 2.77Å
133L72Confident66.7Low69 Ų6981.8 Ų81.836%0.36151%0.512SS..  trans-74.459.9-179-165.988.2000112.6E9 I13 I135E9-L133 HydrophobicContact CB-CD1 3.74Å; E9-L133 HydrophobicContact CG-CD1 3.99Å; I13-L133 HydrophobicContact CD1-CD1 4.05Å; I13-L133 HydrophobicContact CG1-CD1 4.08Å; L133-I135 HydrophobicContact CD1-CD1 4.2Å; L133-I135 HydrophobicContact CD2-CD1 3.8Å; L133-I135 HydrophobicContact CG-CD1 3.78Å; L133-I135 HydrophobicContact CG-CG1 4.16Å; L133-I135 PolarHBondContact O-N 3.15Å
134W71.9Confident63.5Low47 Ų4784.2 Ų84.218%0.17853%0.53CS..  trans-54.4110.1172.6175.549.1000110.2Q81 V82 A125 Y129 E132 D136Q81-W134 HydrophobicContact CB-CE3 4.42Å; Q81-W134 HydrophobicContact CB-CZ3 4.09Å; Q81-W134 PolarHBondContact NE2-O 3.3Å; V82-W134 HydrophobicContact CG1-CH2 4.18Å; V82-W134 HydrophobicContact CG1-CZ3 3.98Å; A125-W134 HydrophobicContact CB-CE3 4.17Å; A125-W134 HydrophobicContact CB-CZ3 3.75Å; Y129-W134 HydrophobicContact CD1-CB 4.08Å; Y129-W134 HydrophobicContact CD1-CG 4.03Å; Y129-W134 HydrophobicContact CD2-CB 3.83Å; Y129-W134 AromaticContact CD2-CD2 3.44Å; Y129-W134 HydrophobicContact CD2-CD2 3.44Å; Y129-W134 VanDerWaalsContact CD2-CD2 3.44Å; Y129-W134 AromaticContact CD2-CE3 3.69Å; Y129-W134 HydrophobicContact CD2-CE3 3.69Å; Y129-W134 AromaticContact CD2-CG 3.5Å; Y129-W134 HydrophobicContact CD2-CG 3.5Å; Y129-W134 HydrophobicContact CD2-CZ3 4.43Å; Y129-W134 AromaticContact CE1-CD1 3.78Å; Y129-W134 HydrophobicContact CE1-CG 4.14Å; Y129-W134 HydrophobicContact CE2-CB 4.41Å; Y129-W134 AromaticContact CE2-CD1 3.77Å; Y129-W134 AromaticContact CE2-CD2 3.31Å; Y129-W134 HydrophobicContact CE2-CD2 3.31Å; Y129-W134 AromaticContact CE2-CE2 3.36Å; Y129-W134 AromaticContact CE2-CE3 3.77Å; Y129-W134 HydrophobicContact CE2-CE3 3.77Å; Y129-W134 AromaticContact CE2-CG 3.6Å; Y129-W134 HydrophobicContact CE2-CG 3.6Å; Y129-W134 HydrophobicContact CE2-CH2 4.28Å; Y129-W134 AromaticContact CE2-CZ2 3.87Å; Y129-W134 HydrophobicContact CE2-CZ2 3.87Å; Y129-W134 HydrophobicContact CE2-CZ3 4.23Å; Y129-W134 AromaticContact CE2-NE1 3.65Å; Y129-W134 HydrophobicContact CG-CB 3.64Å; Y129-W134 HydrophobicContact CG-CD2 4.18Å; Y129-W134 AromaticContact CG-CG 3.73Å; Y129-W134 HydrophobicContact CG-CG 3.73Å; Y129-W134 AromaticContact CZ-CD1 3.62Å; Y129-W134 AromaticContact CZ-CD2 3.97Å; Y129-W134 AromaticContact CZ-CE2 3.72Å; Y129-W134 AromaticContact CZ-CG 3.92Å; Y129-W134 AromaticContact CZ-NE1 3.51Å; E132-W134 PolarHBondContact O-N 2.77Å; W134-D136 VanDerWaalsContact CZ2-OD2 3.27Å; W134-D136 WeakPolarHBondContact CZ2-OD2 3.13Å; W134-D136 PolarHBondContact NE1-OD1 3.14Å; W134-D136 PolarHBondContact NE1-OD2 3.37Å
135I70.4Confident60.7Low43 Ų4385.9 Ų85.922%0.22154%0.543CS..  trans-139.484-176.8-86.4-173.1000106.4T12 I13 R16 L133 S137T12-I135 HydrophobicContact CG2-CD1 3.94Å; I13-I135 HydrophobicContact CG1-CD1 3.92Å; I13-I135 HydrophobicContact CG1-CG1 4.25Å; R16-I135 VanDerWaalsContact CD-CG2 3.42Å; R16-I135 VanDerWaalsContact NH1-CG2 3.31Å; L133-I135 HydrophobicContact CD1-CD1 4.2Å; L133-I135 HydrophobicContact CD2-CD1 3.8Å; L133-I135 HydrophobicContact CG-CD1 3.78Å; L133-I135 HydrophobicContact CG-CG1 4.16Å; L133-I135 PolarHBondContact O-N 3.15Å; I135-S137 PolarHBondContact O-N 2.86Å; I135-S137 VanDerWaalsContact O-N 3.1Å
136D58.3Low58.1Low99 Ų9990.6 Ų90.653%0.52958%0.582SS.*  trans-58.2115.8-178.2-92-9.2000111.3R16 W134 S138R16-D136 PolarHBondContact NE-O 3.32Å; R16-D136 PolarHBondContact NH2-O 3.45Å; W134-D136 VanDerWaalsContact CZ2-OD2 3.27Å; W134-D136 WeakPolarHBondContact CZ2-OD2 3.13Å; W134-D136 PolarHBondContact NE1-OD1 3.14Å; W134-D136 PolarHBondContact NE1-OD2 3.37Å; D136-S138 PolarHBondContact O-N 3.14Å
137S40.8Very low55.4Low111 Ų11196.5 Ų96.578%0.77661%0.608SS**  trans-82.156.6-180-86.70000113.6R16 I135R16-S137 PolarHBondContact NH1-OG 2.88Å; I135-S137 PolarHBondContact O-N 2.86Å; I135-S137 VanDerWaalsContact O-N 3.1Å
138S38.4Very low53Low75 Ų75100.1 Ų100.152%0.52461%0.611SS.*  trans-131.9137.6157.1-175.20000111.3D136 G140D136-S138 PolarHBondContact O-N 3.14Å; S138-G140 PolarHBondContact OG-N 3.02Å
139A40.7Very low50.6Low92 Ų92100.4 Ų100.476%0.7661%0.612SS**SBendtrans-141.243.9163.600000108.7
140G37.3Very low48.6Very low72 Ų72103.7 Ų103.774%0.74264%0.635SS**SBendtrans171.191.7-17500000110.6S138S138-G140 PolarHBondContact OG-N 3.02Å
141G29.2Very low46.8Very low70 Ų70108.2 Ų108.272%0.72265%0.652SS**  trans166.5115.9179.300000111.5
142T33.4Very low45.9Very low134 Ų134110.8 Ų110.882%0.82266%0.663SS**  trans-79.8132.3173.1-37.50000109.1
143T36.7Very low45.5Very low126 Ų126110.5 Ų110.577%0.77366%0.66SS**  trans21.510416156.70000118.8
144T28.8Very low44.6Very low130 Ų130115.2 Ų115.280%0.79868%0.678SS**  trans-128.3135130.545.90000108.7
145A34.6Very low44Very low87 Ų87115.2 Ų115.272%0.71969%0.688SS**  trans-75.7167.616100000108.6E147A145-E147 PolarHBondContact O-N 2.98Å
146A38.1Very low43Very low105 Ų105120.3 Ų120.387%0.86871%0.711SS**  trans-67.399.517400000109.9K148A146-K148 PolarHBondContact O-N 3.49Å
147E33.6Very low42.8Very low178 Ų178122.3 Ų122.383%0.83272%0.717SS**  trans-64.1115.5167.1-68.1-171.5157.700108.3A145 K149A145-E147 PolarHBondContact O-N 2.98Å; E147-K149 PolarHBondContact O-N 3.22Å
148K40Very low43.2Very low184 Ų184121.1 Ų121.180%0.871%0.708SS**  trans-63.4127.9148.6-78.5-175.4173.5-174.70105.8A146 D150A146-K148 PolarHBondContact O-N 3.49Å; K148-D150 PolarHBondContact O-N 3.04Å
149K37.7Very low43.5Very low167 Ų167125 Ų12573%0.72672%0.718SS**  trans-66.3101.3166.2-177.5178.7175.6-93.10107E147 D151E147-K149 PolarHBondContact O-N 3.22Å; K149-D151 IonicContact NZ-OD1 3.15Å; K149-D151 PolarHBondContact NZ-OD1 3.37Å; K149-D151 PolarHBondContact O-N 3.48Å
150D42.8Very low43.2Very low150 Ų150130.2 Ų130.280%0.80272%0.724SS**  trans-69.4123.4166.3-72.2-41.6000107.3K148K148-D150 PolarHBondContact O-N 3.04Å
151D45Very low43.1Very low125 Ų125131.4 Ų131.467%0.66872%0.721SS**  trans-78.2131.3-179.8-72.8-53.7000110.2K149 F153K149-D151 IonicContact NZ-OD1 3.15Å; K149-D151 PolarHBondContact NZ-OD1 3.37Å; K149-D151 PolarHBondContact O-N 3.48Å; D151-F153 PolarHBondContact O-N 3.46Å
152D59.7Low43.1Very low116 Ų116135.9 Ų135.962%0.6273%0.728SS**  trans-7596.9-169.3-172.8-5.3000111.7F154 A155D152-F154 PolarHBondContact O-N 3.02Å; D152-F154 PolarHBondContact OD1-N 2.92Å; D152-A155 WeakPolarHBondContact O-CB 3.07Å; D152-A155 PolarHBondContact O-N 3.02Å
153F67.3Low43Very low140 Ų140138.4 Ų138.461%0.61473%0.731SS**Hα-helixtrans-51.3-26.3-179.9179.5-98.1000114.5D151 H157D151-F153 PolarHBondContact O-N 3.46Å; F153-H157 AromaticContact CE2-CE1 3.97Å; F153-H157 AromaticContact CZ-CE1 3.91Å
154F52.2Low42.7Very low169 Ų169143 Ų14374%0.74173%0.734SS**Hα-helixtrans-78.3-20.3178.1-80.8-88.8000113.6D152D152-F154 PolarHBondContact O-N 3.02Å; D152-F154 PolarHBondContact OD1-N 2.92Å
155A58.4Low42.9Very low47 Ų47141.9 Ų141.939%0.38873%0.732SS.*Hα-helixtrans-69.4-43.6177.900000112D152 H157 S158D152-A155 WeakPolarHBondContact O-CB 3.07Å; D152-A155 PolarHBondContact O-N 3.02Å; A155-H157 PolarHBondContact O-N 3.27Å; A155-S158 PolarHBondContact O-N 2.94Å; A155-S158 PolarHBondContact O-OG 3.22Å
156E49.1Very low42.8Very low150 Ų150145 Ų14570%0.70174%0.735SS**Hα-helixtrans-63-40.8-173.3-169.5171.4-157.300112.6S158 Q159E156-S158 PolarHBondContact O-N 2.81Å; E156-Q159 PolarHBondContact O-N 3.49Å
157H55.3Low42.5Very low141 Ų141144.2 Ų144.265%0.65373%0.728SS**THydrogen-bonded Turntrans-77.7-2-178.9-70.783.3000114.4F153 A155F153-H157 AromaticContact CE2-CE1 3.97Å; F153-H157 AromaticContact CZ-CE1 3.91Å; A155-H157 PolarHBondContact O-N 3.27Å
158S49.4Very low43.6Very low85 Ų85141.4 Ų141.459%0.59473%0.725SS**THydrogen-bonded Turntrans-88.2-15.5176.172.90000113.9A155 E156A155-S158 PolarHBondContact O-N 2.94Å; A155-S158 PolarHBondContact O-OG 3.22Å; E156-S158 PolarHBondContact O-N 2.81Å
159Q43.7Very low43.8Very low156 Ų156138.3 Ų138.373%0.72972%0.724SS**  trans-106.554.6-167.1-60-166.94.600113.6E156E156-Q159 PolarHBondContact O-N 3.49Å
160F35.7Very low43.5Very low203 Ų203134.6 Ų134.689%0.8972%0.724SS**  trans-139.755.7174-135-81.3000115.7
161S34.4Very low42.8Very low97 Ų97134.8 Ų134.868%0.67872%0.721SS**  trans-168.899.3152.252.50000112.8
162N29.8Very low42.2Very low163 Ų163135.5 Ų135.587%0.87272%0.72SS**  162.6104.7111.5-80.6-33.6000111.4
163E30.7Very low40.8Very low188 Ų188137.6 Ų137.688%0.87973%0.731SS**  trans-95.4115.9164.2-176.3-179.3130.800109.2
164W30.1Very low38.8Very low221 Ų221134.9 Ų134.984%0.83774%0.743SS**  trans-152.4110.8154.3-166.2-81.9000110.6
165S33.1Very low37.7Very low108 Ų108132.1 Ų132.176%0.75575%0.751SS**  trans-93.6131.4178.6-67.30000111.9
166I32.4Very low36.3Very low152 Ų152134.8 Ų134.878%0.77977%0.773SS**  trans-134.8145.9158.6-81.4178.7000108.1
167A31.9Very low35.4Very low88 Ų88133.2 Ų133.273%0.72778%0.779SS**  trans-113.7-171.9-163.100000112.6
168P57.8Low34.4Very low120 Ų120131.5 Ų131.578%0.77978%0.783SS**  trans-98.6-168-145.343.8-42.9000114.4
169P43.5Very low34.6Very low118 Ų118132.4 Ų132.477%0.76679%0.787SS**  -153.1171.287.342.1-24.2000117.7
170A30.5Very low33.8Very low89 Ų89133.1 Ų133.174%0.73679%0.79SS**  trans67.6156.8141.800000122.2
171E29.6Very low33.6Very low155 Ų155129.8 Ų129.872%0.72478%0.781SS**  cis-164.6160.6-31.8-100.1-138.7107.200111.3
172Q31.8Very low33.5Very low140 Ų140130.7 Ų130.765%0.65478%0.782SS**  trans41.9122.5148.8-65.2-175.744.300124
173N30.4Very low33.5Very low159 Ų159129.5 Ų129.585%0.8578%0.776SS**  31.6137116.7-55.3-28.8000121.6
174G26Very low33.5Very low84 Ų84125.7 Ų125.787%0.86677%0.77SS**  trans165.2119.2153.100000113.4
175A28.9Very low33.5Very low110 Ų110119.4 Ų119.491%0.90977%0.765SS**  trans-114.3145.2-177.500000112.8
176A27.6Very low34.8Very low104 Ų104120 Ų12086%0.8677%0.767SS**  trans-143.8121.816600000110.5
177S31.5Very low34.6Very low116 Ų116123.1 Ų123.181%0.81177%0.774SS**  trans-92.2178.3165.660.10000108.8
178S34.8Very low34.4Very low106 Ų106122.7 Ų122.774%0.74177%0.771SS**  cis-168.1-160.212.4-141.90000106.3
179P52.7Low32.8Very low104 Ų104125.4 Ų125.468%0.67577%0.773SS**  cis-134167.3-16.738.4-21.8000115.4
180Q26.4Very low32Very low171 Ų171125.6 Ų125.680%0.79977%0.768SS**  -178.1108.2117.2-96.5-170.9-117.200109.9
181L32Very low31.8Very low133 Ų133129 Ų12970%0.69677%0.773SS**  79.196.3103.5-69.9-177.7000114.6
182T32.1Very low31.6Very low115 Ų115124.8 Ų124.871%0.70677%0.771SS**  69134.69458.60000114.3
183D30.7Very low31.5Very low139 Ų139127.4 Ų127.474%0.74378%0.784SS**  cis-161.2-174.51.4-13460.6000108.3
184S30.4Very low32Very low108 Ų108124.5 Ų124.576%0.75577%0.774SS**  cis-154.9-155.98.5-154.20000111.6
185A29.9Very low32.2Very low89 Ų89128.9 Ų128.974%0.73677%0.771SS**  trans-133.6-154.4-174.300000115.6
186P59.7Low32.2Very low121 Ų121131.5 Ų131.579%0.78677%0.77SS**  -131.3173.3-10641.1-23.6000117.1
187K28.4Very low32.2Very low217 Ų217129.6 Ų129.694%0.94376%0.761SS**  trans-163.5176.2155.8-119.9170.9-173.9-179.50116.3
188A27.3Very low32.9Very low78 Ų78130 Ų13065%0.64576%0.761SS**  trans-107.5179.7-166.500000114.6
189Q25.6Very low32.7Very low177 Ų177130.2 Ų130.283%0.82776%0.762SS**  trans67.4162.3161.7-76.4-178.2-83.700116.1
190D24.9Very low31.9Very low123 Ų123132 Ų13266%0.65877%0.765SS**  cis-155.5-178.3-19.5-139.7-39.6000107.5
191D27.8Very low32.3Very low160 Ų160131.5 Ų131.586%0.85677%0.767SS**  trans63.7156169.3-69.6-71.9000117.9
192G25.5Very low32.4Very low66 Ų66128.3 Ų128.368%0.6877%0.767SS**  cis169.6118.3-11.500000114.8
193Q28.3Very low32.3Very low196 Ų196130.8 Ų130.892%0.91678%0.775SS**  trans60.5170.3166.8-89170.9-120.800118.8
194P41.2Very low32.4Very low98 Ų98129.2 Ų129.264%0.63678%0.775SS**  cis-112.6-164.1-6.126.8-3000111.4
195E29.6Very low32.4Very low176 Ų176130.4 Ų130.482%0.82278%0.777SS**  cis-144.5168.321.6-61.5-98.779.500111.8
196D30.7Very low32.5Very low164 Ų164130.9 Ų130.988%0.87778%0.776SS**  trans-67.1163.3172.1-83.2-85.1000114.4
197G26.9Very low32Very low65 Ų65130.6 Ų130.667%0.6777%0.774SS**  trans-91.4-146.2157.400000111.1
198P45.2Very low32.2Very low124 Ų124129.2 Ų129.281%0.80577%0.768SS**  cis-131.8175.8-20.741.2-27.4000113
199S32.2Very low32.5Very low110 Ų110129.4 Ų129.477%0.76977%0.769SS**  trans69.5142.8157.3-143.30000116.5
200I34.3Very low32.7Very low143 Ų143125.7 Ų125.773%0.73376%0.763SS**  -170.4156.661.345.1163.6000113.3
201D34.7Very low32.9Very low159 Ų159127.7 Ų127.785%0.8577%0.772SS**  trans46146.3137.9-67.6-58.4000127.2
202G34.1Very low33.1Very low67 Ų67124.4 Ų124.469%0.69177%0.767SS**  trans158.2120157.100000111.1
203L30.8Very low33.3Very low166 Ų166128 Ų12887%0.86977%0.771SS**  cis-140137.56.8-72.2158.1000108.4
204S32Very low33.5Very low106 Ų106123.2 Ų123.274%0.74176%0.759SS**  66.6134.986.1-139.70000114.4
205T31.6Very low33Very low133 Ų133127.7 Ų127.782%0.81677%0.774SS**  cis-140.7161.623.351.10000114.7
206S31.9Very low33.2Very low100 Ų100130.1 Ų130.170%0.69978%0.775SS**  trans-107.5178.9164.9-156.40000110.7
207P50Low33.1Very low114 Ų114130.3 Ų130.374%0.7478%0.775SS**  -135.7171.466.141-24.4000113.6
208K31.9Very low33.3Very low188 Ų188132.4 Ų132.482%0.81778%0.78SS**  cis76.8144.128.5-124.3176-177178.60114
209A33.6Very low33.8Very low82 Ų82132 Ų13268%0.67878%0.777SS**  cis-134.9170.66.500000110
210S29.7Very low33.6Very low100 Ų100135.6 Ų135.670%0.69978%0.782SS**  cis92.6153.622.1-40.40000116.4
211I28.1Very low33.4Very low164 Ų164134.7 Ų134.784%0.84179%0.788SS**  trans92.2106.3-177.7-53.8166.9000112.9
212A32.1Very low33Very low91 Ų91130.5 Ų130.575%0.75278%0.783SS**  84.7156.768.600000113.3
213D30Very low33.9Very low142 Ų142133.2 Ų133.276%0.75979%0.788SS**  cis-157.4157.211-158.9-8.1000113
214S32.7Very low34.4Very low95 Ų95131.7 Ų131.766%0.66479%0.788SS**  trans54.3159.1144.8-78.30000126.3
215M31Very low34.3Very low193 Ų193131.5 Ų131.595%0.95179%0.793SS**  trans94.4164.3160.3-63.4-88.8176.900119.7
216R34.6Very low34.2Very low227 Ų227129.3 Ų129.386%0.85779%0.788SS**  trans-150.1139.5-150.6172.8-163.6-168.8-160.17.4109.7
217L26.9Very low34.1Very low167 Ų167131.5 Ų131.587%0.87479%0.792SS**  trans165158.9142.8-90.8162.3000112.5
218S32.3Very low33.1Very low109 Ų109131 Ų13176%0.76279%0.787SS**  trans-110.1-175.3171.6-39.60000108.9
219P54.7Low33.1Very low116 Ų116130.9 Ų130.975%0.75379%0.786SS**  cis-141.4-160.12.140.6-18.5000115.3
220Q27.9Very low34.1Very low185 Ų185132.6 Ų132.686%0.86479%0.79SS**  trans85.8115.3145.9-171.1-179.297.800121.2
221S29.9Very low34.1Very low125 Ų125132.8 Ų132.887%0.87479%0.792SS**  -171.7163.5125.641.60000110.8
222G27Very low34.6Very low71 Ų71131.6 Ų131.673%0.73279%0.786SS**  trans-116.2-172.2-167.600000116.1
223P52.6Low34.9Very low124 Ų124134.7 Ų134.781%0.80579%0.788SS**  trans-97.3-178-168.540.3-38.4000114.2
224P42.1Very low35Very low134 Ų134130.8 Ų130.887%0.8778%0.782SS**  trans-125.7177.7134.437.4-29.2000113.5
225A28.6Very low35.1Very low101 Ų101135.6 Ų135.684%0.83579%0.79SS**  trans-127-152.9-171.900000112.6
226A30.5Very low35.4Very low87 Ų87136.7 Ų136.772%0.71979%0.79SS**  trans87147.8-179.400000115.7
227D30.4Very low35.5Very low147 Ų147135.6 Ų135.679%0.78679%0.791SS**  cis-157.1153.7-9.5-122.4-20.4000116.8
228V28.8Very low36.2Very low103 Ų103133.3 Ų133.362%0.62479%0.787SS**  trans26.5113.3142.9171.70000123.6
229K30.7Very low36.3Very low185 Ų185136.9 Ų136.980%0.80479%0.793SS**  53.1172.2125.1-56.2-179.5-167.4167.10122.1
230P56Low35.4Very low119 Ų119135.7 Ų135.777%0.77379%0.794SS**  cis-133.6-146.8-48.440.2-21.9000111.8
231S29.6Very low35.6Very low104 Ų104131.6 Ų131.673%0.72779%0.791SS**  trans104.1143.7158.7-151.10000116.7
232I37.7Very low36.2Very low139 Ų139135.2 Ų135.271%0.71379%0.791SS**  cis-161.9162-21-112.1173.5000109.2
233I38Very low36.7Very low155 Ų155141.6 Ų141.680%0.79580%0.798SS**  trans72140166.5-88.2160.3000118.1
234G33.1Very low35.8Very low61 Ų61138.8 Ų138.863%0.62979%0.792SS**  cis174.8151.3-11.100000118.7
235K35Very low35.6Very low195 Ų195140.5 Ų140.585%0.84879%0.793SS**  trans48.9111.7144.6-57.7175.5-176.4173.30120.2
236K37.6Very low35.8Very low216 Ų216139 Ų13994%0.93979%0.787SS**  -153.9156.8118.5-107.3162.7-173.51770110.4
237K36Very low36.2Very low205 Ų205140.2 Ų140.289%0.89180%0.798SS**  trans-110.3156.1-171.2-99.7-172.4174-177.60112.3
238P41.4Very low37.1Very low119 Ų119142.9 Ų142.977%0.77380%0.802SS**  trans-88.6173.6174.138-36.5000112.8
239M34Very low37.5Very low183 Ų183148.5 Ų148.590%0.90182%0.818SS**  trans-138.4144.1169.2-74-171.268.400113.3
240A35.8Very low37.9Very low92 Ų92143.2 Ų143.276%0.7682%0.816SS**  trans41.7111.6154.900000119
241A33.2Very low37.7Very low98 Ų98146.6 Ų146.681%0.8183%0.827SS**  cis78.61083200000117
242K42.3Very low38.1Very low201 Ų201145.2 Ų145.287%0.87483%0.829SS**  trans-156.6120.6147.2-100.4164.2-174.6175.20106.6
243K36.4Very low38.6Very low205 Ų205143.6 Ų143.689%0.89184%0.836SS**  60.7120.696.2-94.9-172.5172.8-1760113.5
244G34.7Very low39.5Very low65 Ų65144.9 Ų144.967%0.6784%0.839SS**  cis176.2-160.4-100000114
245L37.6Very low40.3Very low171 Ų171151.9 Ų151.990%0.89585%0.852SS**  trans11135.9162-60.277.8000118.5
246G34Very low41.2Very low69 Ų69146.9 Ų146.971%0.71184%0.837SS**  cis142.3-175.88.200000111.8
247A38.2Very low42.4Very low113 Ų113140.2 Ų140.293%0.93482%0.818SS**  trans72.6144.1177.500000118.1
248K48.3Very low43.5Very low202 Ų202135.2 Ų135.288%0.87881%0.809SS**  trans-107.2137.1178.5-52.6166.5178.7177.10109.4
249K39Very low44.4Very low222 Ų222138 Ų13897%0.96581%0.809SS**  trans179.6154.4143.6-113176.6178.2-178.60113.7
250G38Very low45.8Very low74 Ų74131.5 Ų131.576%0.76378%0.781SS**  trans101.586.9142.200000117.7
251L51.8Low47.1Very low190 Ų190133.5 Ų133.5100%0.99577%0.773SS**  trans-68.2128.3147.4-78.3159.6000108.1
252G38.6Very low49.3Very low74 Ų74131.3 Ų131.376%0.76375%0.752SS**  trans-145.1110.718000000111.5
253A47.1Very low51.1Low106 Ų106128.6 Ų128.688%0.87674%0.743SS**  trans-84.9115.7179.600000111.1K255A253-K255 PolarHBondContact O-N 2.82Å; A253-K255 VanDerWaalsContact O-N 3.12Å
254Q56.9Low53.1Low181 Ų181123.3 Ų123.385%0.84673%0.727SS**  trans-70.8101.5175.1-171.590.3-14.300109.9V256Q254-V256 PolarHBondContact O-N 2.82Å; Q254-V256 VanDerWaalsContact O-N 3.08Å
255K51.3Low55.4Low208 Ų208125.7 Ų125.790%0.90472%0.721SS**  trans-75.596.3-178.7-170.4179.9-176.71800111.4A253A253-K255 PolarHBondContact O-N 2.82Å; A253-K255 VanDerWaalsContact O-N 3.12Å
256V53.6Low57.6Low90 Ų90123.6 Ų123.655%0.54571%0.705SS.*  trans-68.8140.8176.1-159.80000110.6Q254 F261Q254-V256 PolarHBondContact O-N 2.82Å; Q254-V256 VanDerWaalsContact O-N 3.08Å; V256-F261 HydrophobicContact CB-CE2 4.26Å
257S63.3Low59.9Low77 Ų77127.2 Ų127.254%0.53870%0.703SS.*  trans-72.9137.4-175.8-174.60000112.5K259 S260S257-K259 PolarHBondContact O-N 3.33Å; S257-S260 PolarHBondContact O-N 3.39Å; S257-S260 VanDerWaalsContact O-N 3.09Å; S257-S260 PolarHBondContact O-OG 3.02Å
258S58.6Low61.9Low100 Ų100124.6 Ų124.670%0.69968%0.681SS**THydrogen-bonded Turntrans-58.2-22.1-174.251.70000114.8S260 F261S258-S260 VanDerWaalsContact C-N 3.27Å; S258-S260 PolarHBondContact O-N 3.03Å; S258-F261 PolarHBondContact O-N 2.86Å
259K60Low63.5Low177 Ų177120.3 Ų120.377%0.7767%0.665SS**Hα-helixtrans-63.8-29.3176.9-65.2-172.8177.4-175.50113.4S257S257-K259 PolarHBondContact O-N 3.33Å
260S62.8Low65.8Low46 Ų46114.5 Ų114.532%0.32265%0.648SS.*Hα-helixtrans-72.4-31.8-178.659.70000113.9S257 S258 E263 V264S257-S260 PolarHBondContact O-N 3.39Å; S257-S260 VanDerWaalsContact O-N 3.09Å; S257-S260 PolarHBondContact O-OG 3.02Å; S258-S260 VanDerWaalsContact C-N 3.27Å; S258-S260 PolarHBondContact O-N 3.03Å; S260-E263 PolarHBondContact O-N 2.82Å; S260-V264 WeakPolarHBondContact O-CG2 3.19Å; S260-V264 PolarHBondContact O-N 3.28Å; S260-V264 VanDerWaalsContact O-N 3.15Å
261F63.2Low67.9Low134 Ų134113.9 Ų113.959%0.58864%0.635SS**Hα-helixtrans-67.8-41.4-176.2-73.3-85.7000112.7V256 S258 E263 V264 E265V256-F261 HydrophobicContact CB-CE2 4.26Å; S258-F261 PolarHBondContact O-N 2.86Å; F261-E263 PolarHBondContact O-N 2.97Å; F261-V264 PolarHBondContact O-N 3.14Å; F261-E265 VanDerWaalsContact O-CB 3.23Å; F261-E265 WeakPolarHBondContact O-CB 3.23Å; F261-E265 PolarHBondContact O-N 3.49Å
262S79.2Confident69.5Low53 Ų53111.6 Ų111.637%0.37162%0.619SS.*Hα-helixtrans-67.8-24.8179.3-171.50000113.1K266S262-K266 WeakPolarHBondContact O-CB 3.41Å; S262-K266 WeakPolarHBondContact O-CD 3.22Å; S262-K266 WeakPolarHBondContact O-CG 3.28Å; S262-K266 PolarHBondContact O-N 3.12Å
263E81.4Confident71.8Confident144 Ų144113.9 Ų113.967%0.67361%0.608SS**Hα-helixtrans-80.2-44.2176.7-169.5148.9-137.400111.3S260 F261 E265 K266 Q267S260-E263 PolarHBondContact O-N 2.82Å; F261-E263 PolarHBondContact O-N 2.97Å; E263-E265 VanDerWaalsContact C-N 3.34Å; E263-E265 PolarHBondContact O-N 2.67Å; E263-K266 PolarHBondContact O-N 3.46Å; E263-Q267 WeakPolarHBondContact O-CB 3.41Å; E263-Q267 PolarHBondContact O-N 3.36Å
264V77.1Confident73.5Confident94 Ų94113.1 Ų113.157%0.5759%0.589SS**Hα-helixtrans-61.6-40.8172.4173.10000111.7S260 F261 Q267 A268S260-V264 WeakPolarHBondContact O-CG2 3.19Å; S260-V264 PolarHBondContact O-N 3.28Å; S260-V264 VanDerWaalsContact O-N 3.15Å; F261-V264 PolarHBondContact O-N 3.14Å; V264-Q267 PolarHBondContact O-N 2.88Å; V264-A268 WeakPolarHBondContact O-CB 3.43Å; V264-A268 PolarHBondContact O-N 3.41Å
265E82.6Confident74.8Confident115 Ų115113.2 Ų113.254%0.53758%0.582SS.*Hα-helixtrans-62.7-45.2176.7-179.4173.9-137.800112F261 E263 A268 Q269F261-E265 VanDerWaalsContact O-CB 3.23Å; F261-E265 WeakPolarHBondContact O-CB 3.23Å; F261-E265 PolarHBondContact O-N 3.49Å; E263-E265 VanDerWaalsContact C-N 3.34Å; E263-E265 PolarHBondContact O-N 2.67Å; E265-A268 PolarHBondContact O-N 2.66Å; E265-Q269 WeakPolarHBondContact O-CG 3.15Å; E265-Q269 PolarHBondContact O-N 3Å
266K84.5Confident76.4Confident127 Ų127110 Ų11055%0.55257%0.57SS**Hα-helixtrans-63.8-40.6174-74.4169.2-172.5172.80112.2S262 E263 A268 Q269 V270S262-K266 WeakPolarHBondContact O-CB 3.41Å; S262-K266 WeakPolarHBondContact O-CD 3.22Å; S262-K266 WeakPolarHBondContact O-CG 3.28Å; S262-K266 PolarHBondContact O-N 3.12Å; E263-K266 PolarHBondContact O-N 3.46Å; K266-A268 VanDerWaalsContact C-N 3.31Å; K266-A268 PolarHBondContact O-N 3.23Å; K266-Q269 PolarHBondContact O-N 2.93Å; K266-V270 WeakPolarHBondContact O-CG2 3.43Å; K266-V270 PolarHBondContact O-N 3.14Å
267Q82.4Confident77.9Confident144 Ų144110.5 Ų110.567%0.67357%0.566SS**Hα-helixtrans-64.9-37.1178-165.9173.117.300111.6E263 V264 A271E263-Q267 WeakPolarHBondContact O-CB 3.41Å; E263-Q267 PolarHBondContact O-N 3.36Å; V264-Q267 PolarHBondContact O-N 2.88Å; Q267-A271 WeakPolarHBondContact O-CB 3.2Å; Q267-A271 PolarHBondContact O-N 3.43Å; Q267-A271 VanDerWaalsContact O-N 3.08Å
268A79.8Confident78.7Confident58 Ų58112.5 Ų112.548%0.47957%0.567SS.*Hα-helixtrans-64.9-47.2172.400000112.2V264 E265 K266 V270 A271 E272V264-A268 WeakPolarHBondContact O-CB 3.43Å; V264-A268 PolarHBondContact O-N 3.41Å; E265-A268 PolarHBondContact O-N 2.66Å; K266-A268 VanDerWaalsContact C-N 3.31Å; K266-A268 PolarHBondContact O-N 3.23Å; A268-V270 VanDerWaalsContact C-N 3.35Å; A268-V270 PolarHBondContact O-N 2.87Å; A268-A271 PolarHBondContact O-N 3.1Å; A268-E272 WeakPolarHBondContact O-CB 3.44Å; A268-E272 PolarHBondContact O-N 3.11Å
269Q82.1Confident79.9Confident113 Ų113111.3 Ų111.353%0.52856%0.555SS.*Hα-helixtrans-61.6-39.2178-71.6172.810.300112.7E265 K266 E272 K273E265-Q269 WeakPolarHBondContact O-CG 3.15Å; E265-Q269 PolarHBondContact O-N 3Å; K266-Q269 PolarHBondContact O-N 2.93Å; Q269-E272 PolarHBondContact O-N 3.44Å; Q269-K273 WeakPolarHBondContact O-CB 3.45Å; Q269-K273 PolarHBondContact O-N 3.16Å
270V88.3Confident80.9Confident100 Ų100105 Ų10561%0.60654%0.537SS*.Hα-helixtrans-66.4-41.3174.7170.80000111.4K266 A268 L274K266-V270 WeakPolarHBondContact O-CG2 3.43Å; K266-V270 PolarHBondContact O-N 3.14Å; A268-V270 VanDerWaalsContact C-N 3.35Å; A268-V270 PolarHBondContact O-N 2.87Å; V270-L274 VanDerWaalsContact O-CB 3.31Å; V270-L274 WeakPolarHBondContact O-CB 3.27Å; V270-L274 PolarHBondContact O-N 3.47Å
271A82.3Confident81.9Confident61 Ų61108.3 Ų108.350%0.50455%0.547SS..Hα-helixtrans-66.8-36.9176.800000112.7Q267 A268 R275Q267-A271 WeakPolarHBondContact O-CB 3.2Å; Q267-A271 PolarHBondContact O-N 3.43Å; Q267-A271 VanDerWaalsContact O-N 3.08Å; A268-A271 PolarHBondContact O-N 3.1Å; A271-R275 WeakPolarHBondContact O-CB 3.08Å; A271-R275 PolarHBondContact O-N 3Å; A271-R275 VanDerWaalsContact O-N 3.15Å
272E85.1Confident82.8Confident142 Ų142104.7 Ų104.766%0.66454%0.542SS*.Hα-helixtrans-67.6-47.6175.2-175.1162.2-143.400111.6A268 Q269 L274 R275 E276A268-E272 WeakPolarHBondContact O-CB 3.44Å; A268-E272 PolarHBondContact O-N 3.11Å; Q269-E272 PolarHBondContact O-N 3.44Å; E272-L274 PolarHBondContact O-N 3.49Å; E272-R275 WeakPolarHBondContact O-CB 3.39Å; E272-R275 PolarHBondContact O-N 3.02Å; E272-R275 VanDerWaalsContact O-N 3.17Å; E272-E276 PolarHBondContact O-N 2.75Å
273K85.3Confident82.9Confident122 Ų122108.4 Ų108.453%0.5355%0.551SS.*Hα-helixtrans-61.1-44.4177.4-174.7172.6-174.5-810112.7Q269 R275 E276 E277Q269-K273 WeakPolarHBondContact O-CB 3.45Å; Q269-K273 PolarHBondContact O-N 3.16Å; K273-R275 VanDerWaalsContact C-N 3.26Å; K273-R275 PolarHBondContact O-N 2.87Å; K273-E276 PolarHBondContact O-N 2.92Å; K273-E277 IonicContact NZ-OE1 2.92Å; K273-E277 PolarHBondContact NZ-OE1 3.25Å; K273-E277 WeakPolarHBondContact O-CG 3.31Å; K273-E277 PolarHBondContact O-N 3.3Å
274L83.8Confident83Confident90 Ų90107.8 Ų107.847%0.47155%0.546SS..Hα-helixtrans-62.9-35.7177.1-171.4154.2000111.4V270 E272 Q278V270-L274 VanDerWaalsContact O-CB 3.31Å; V270-L274 WeakPolarHBondContact O-CB 3.27Å; V270-L274 PolarHBondContact O-N 3.47Å; E272-L274 PolarHBondContact O-N 3.49Å; L274-Q278 HydrophobicContact CD2-CG 4.34Å; L274-Q278 WeakPolarHBondContact O-CG 3.28Å; L274-Q278 PolarHBondContact O-N 2.95Å
275R83.6Confident83.1Confident183 Ų183108.6 Ų108.669%0.69154%0.544SS*.Hα-helixtrans-70.4-37.2174.3-170.6-175.5-174.6-158.83.1112.5A271 E272 K273 V279A271-R275 WeakPolarHBondContact O-CB 3.08Å; A271-R275 PolarHBondContact O-N 3Å; A271-R275 VanDerWaalsContact O-N 3.15Å; E272-R275 WeakPolarHBondContact O-CB 3.39Å; E272-R275 PolarHBondContact O-N 3.02Å; E272-R275 VanDerWaalsContact O-N 3.17Å; K273-R275 VanDerWaalsContact C-N 3.26Å; K273-R275 PolarHBondContact O-N 2.87Å; R275-V279 VanDerWaalsContact O-CG2 3.32Å; R275-V279 WeakPolarHBondContact O-CG2 3.49Å; R275-V279 PolarHBondContact O-N 2.91Å
276E84.9Confident82.9Confident140 Ų140105.5 Ų105.565%0.65454%0.538SS*.Hα-helixtrans-64.5-44.5173.4-173.4175-157.900111E272 K273 Q278 V279 A280E272-E276 PolarHBondContact O-N 2.75Å; K273-E276 PolarHBondContact O-N 2.92Å; E276-Q278 PolarHBondContact O-N 3.01Å; E276-V279 PolarHBondContact O-N 3.01Å; E276-V279 VanDerWaalsContact O-N 3.16Å; E276-A280 WeakPolarHBondContact O-CB 3.49Å; E276-A280 PolarHBondContact O-N 3.37Å
277E84.8Confident82.8Confident101 Ų101105.1 Ų105.147%0.47254%0.538SS..Hα-helixtrans-59-45.5174.9-73.4169.9175.300111.6K273 V279 A280 E281K273-E277 IonicContact NZ-OE1 2.92Å; K273-E277 PolarHBondContact NZ-OE1 3.25Å; K273-E277 WeakPolarHBondContact O-CG 3.31Å; K273-E277 PolarHBondContact O-N 3.3Å; E277-V279 PolarHBondContact O-N 2.65Å; E277-A280 PolarHBondContact O-N 2.84Å; E277-E281 PolarHBondContact O-N 3.18Å
278Q80.3Confident82.9Confident118 Ų118104.7 Ų104.755%0.55154%0.536SS*.Hα-helixtrans-62.6-37.2173.7-75.8-179.5-5.700113.5L274 E276 A282L274-Q278 HydrophobicContact CD2-CG 4.34Å; L274-Q278 WeakPolarHBondContact O-CG 3.28Å; L274-Q278 PolarHBondContact O-N 2.95Å; E276-Q278 PolarHBondContact O-N 3.01Å; Q278-A282 VanDerWaalsContact O-CB 3.31Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 3.12Å
279V84.9Confident83.2Confident75 Ų75105.7 Ų105.746%0.45554%0.539SS..Hα-helixtrans-71.2-34.4176.2168.30000111.3R275 E276 E277 K283R275-V279 VanDerWaalsContact O-CG2 3.32Å; R275-V279 WeakPolarHBondContact O-CG2 3.49Å; R275-V279 PolarHBondContact O-N 2.91Å; E276-V279 PolarHBondContact O-N 3.01Å; E276-V279 VanDerWaalsContact O-N 3.16Å; E277-V279 PolarHBondContact O-N 2.65Å; V279-K283 WeakPolarHBondContact O-CG 3.43Å; V279-K283 PolarHBondContact O-N 3.2Å; V279-K283 VanDerWaalsContact O-N 3.11Å
280A80.9Confident83.2Confident46 Ų46105.5 Ų105.538%0.3854%0.541SS..Hα-helixtrans-68.8-41.4173.900000111.9E276 E277 K283 K284E276-A280 WeakPolarHBondContact O-CB 3.49Å; E276-A280 PolarHBondContact O-N 3.37Å; E277-A280 PolarHBondContact O-N 2.84Å; A280-K283 PolarHBondContact O-N 3.43Å; A280-K284 WeakPolarHBondContact O-CG 3.46Å; A280-K284 PolarHBondContact O-N 2.96Å; A280-K284 VanDerWaalsContact O-N 3.09Å
281E83.1Confident83.3Confident115 Ų115104.8 Ų104.854%0.53754%0.536SS..Hα-helixtrans-65.4-45.1175.4-170.8175.5-172.800111.8E277 K283 K284 Q285E277-E281 PolarHBondContact O-N 3.18Å; E281-K283 VanDerWaalsContact C-N 3.26Å; E281-K283 PolarHBondContact O-N 2.9Å; E281-K284 PolarHBondContact O-N 3.34Å; E281-K284 VanDerWaalsContact O-N 3.14Å; E281-Q285 WeakPolarHBondContact O-CG 3.38Å; E281-Q285 PolarHBondContact O-N 3.48Å; E281-Q285 PolarHBondContact OE1-NE2 2.93Å
282A82.3Confident83.6Confident58 Ų58104.2 Ų104.248%0.47953%0.532SS..Hα-helixtrans-62-31.6175.900000113.2Q278 A286Q278-A282 VanDerWaalsContact O-CB 3.31Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 3.12Å; A282-A286 WeakPolarHBondContact O-CB 3.42Å; A282-A286 PolarHBondContact O-N 3.4Å
283K82.3Confident83.8Confident130 Ų130100.8 Ų100.857%0.56552%0.524SS*.Hα-helixtrans-67.4-47.8171-78.6176.4178.2-177.80111.8V279 A280 E281 Q285 A286 E287V279-K283 WeakPolarHBondContact O-CG 3.43Å; V279-K283 PolarHBondContact O-N 3.2Å; V279-K283 VanDerWaalsContact O-N 3.11Å; A280-K283 PolarHBondContact O-N 3.43Å; E281-K283 VanDerWaalsContact C-N 3.26Å; E281-K283 PolarHBondContact O-N 2.9Å; K283-Q285 PolarHBondContact O-N 3.47Å; K283-A286 WeakPolarHBondContact O-CB 3.49Å; K283-A286 PolarHBondContact O-N 2.76Å; K283-A286 VanDerWaalsContact O-N 3.12Å; K283-E287 WeakPolarHBondContact O-CG 3.43Å; K283-E287 PolarHBondContact O-N 3.41Å
284K83.6Confident84Confident132 Ų13299.7 Ų99.757%0.57452%0.522SS*.Hα-helixtrans-57.8-46.6177.2-71.8178179.1-1780112A280 E281 A286 E287 E288A280-K284 WeakPolarHBondContact O-CG 3.46Å; A280-K284 PolarHBondContact O-N 2.96Å; A280-K284 VanDerWaalsContact O-N 3.09Å; E281-K284 PolarHBondContact O-N 3.34Å; E281-K284 VanDerWaalsContact O-N 3.14Å; K284-A286 VanDerWaalsContact C-N 3.28Å; K284-A286 PolarHBondContact O-N 2.68Å; K284-E287 PolarHBondContact O-N 3.2Å; K284-E288 WeakPolarHBondContact O-CB 3.45Å; K284-E288 WeakPolarHBondContact O-CG 3.47Å; K284-E288 PolarHBondContact O-N 3.38Å
285Q77.8Confident84.4Confident111 Ų111104.4 Ų104.452%0.51953%0.533SS..Hα-helixtrans-61.8-35.3177.1-68.1177.67.800112.3E281 K283 S289E281-Q285 WeakPolarHBondContact O-CG 3.38Å; E281-Q285 PolarHBondContact O-N 3.48Å; E281-Q285 PolarHBondContact OE1-NE2 2.93Å; K283-Q285 PolarHBondContact O-N 3.47Å; Q285-S289 WeakPolarHBondContact O-CB 3.12Å; Q285-S289 PolarHBondContact O-N 2.95Å
286A79.7Confident84.7Confident50 Ų50101.1 Ų101.141%0.41353%0.529SS..Hα-helixtrans-69.7-41.8173.900000112.5A282 K283 K284 S289 I290A282-A286 WeakPolarHBondContact O-CB 3.42Å; A282-A286 PolarHBondContact O-N 3.4Å; K283-A286 WeakPolarHBondContact O-CB 3.49Å; K283-A286 PolarHBondContact O-N 2.76Å; K283-A286 VanDerWaalsContact O-N 3.12Å; K284-A286 VanDerWaalsContact C-N 3.28Å; K284-A286 PolarHBondContact O-N 2.68Å; A286-S289 PolarHBondContact O-N 3.03Å; A286-I290 WeakPolarHBondContact O-CD1 3.25Å; A286-I290 VanDerWaalsContact O-CG1 3.28Å; A286-I290 WeakPolarHBondContact O-CG1 3.22Å; A286-I290 PolarHBondContact O-N 3.19Å
287E81.6Confident84.8Confident119 Ų11996.6 Ų96.656%0.55652%0.516SS*.Hα-helixtrans-64.4-45176.3-72.5166-166.400111.5K283 K284 S289 I290 V291K283-E287 WeakPolarHBondContact O-CG 3.43Å; K283-E287 PolarHBondContact O-N 3.41Å; K284-E287 PolarHBondContact O-N 3.2Å; E287-S289 PolarHBondContact O-N 3.29Å; E287-I290 PolarHBondContact O-N 3.34Å; E287-V291 WeakPolarHBondContact O-CG2 3.44Å; E287-V291 PolarHBondContact O-N 2.79Å
288E83.6Confident84.8Confident135 Ų13599 Ų9963%0.63152%0.521SS*.Hα-helixtrans-60.6-41.5173.5-73.3174.718000112K284 I290 V291 A292K284-E288 WeakPolarHBondContact O-CB 3.45Å; K284-E288 WeakPolarHBondContact O-CG 3.47Å; K284-E288 PolarHBondContact O-N 3.38Å; E288-I290 PolarHBondContact O-N 2.89Å; E288-V291 PolarHBondContact O-N 3.04Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 3.39Å
289S86.3Confident85.3Confident78 Ų7898.6 Ų98.655%0.54552%0.519SS..Hα-helixtrans-63.3-39.4174.8-174.20000112.6Q285 A286 E287 A292 S293Q285-S289 WeakPolarHBondContact O-CB 3.12Å; Q285-S289 PolarHBondContact O-N 2.95Å; A286-S289 PolarHBondContact O-N 3.03Å; E287-S289 PolarHBondContact O-N 3.29Å; S289-A292 PolarHBondContact O-N 3.12Å; S289-S293 PolarHBondContact O-N 3.48Å; S289-S293 PolarHBondContact O-OG 2.84Å
290I82.3Confident85.6Confident109 Ų109101.1 Ų101.156%0.55953%0.526SS*.Hα-helixtrans-67.1-45.9176.3-69.5162.9000109.8A286 E287 E288 A292 S293 M294A286-I290 WeakPolarHBondContact O-CD1 3.25Å; A286-I290 VanDerWaalsContact O-CG1 3.28Å; A286-I290 WeakPolarHBondContact O-CG1 3.22Å; A286-I290 PolarHBondContact O-N 3.19Å; E287-I290 PolarHBondContact O-N 3.34Å; E288-I290 PolarHBondContact O-N 2.89Å; I290-A292 VanDerWaalsContact C-N 3.31Å; I290-A292 PolarHBondContact O-N 3.15Å; I290-S293 PolarHBondContact O-N 3.43Å; I290-S293 PolarHBondContact O-OG 3.05Å; I290-M294 WeakPolarHBondContact O-CB 3.48Å; I290-M294 PolarHBondContact O-N 3.24Å
291V90.1Very high85.7Confident85 Ų85104.3 Ų104.352%0.51554%0.536SS..Hα-helixtrans-61.9-38176.2172.60000111.9E287 E288 M294 R295E287-V291 WeakPolarHBondContact O-CG2 3.44Å; E287-V291 PolarHBondContact O-N 2.79Å; E288-V291 PolarHBondContact O-N 3.04Å; V291-M294 PolarHBondContact O-N 2.74Å; V291-R295 WeakPolarHBondContact O-CB 3.42Å; V291-R295 PolarHBondContact O-N 3.12Å
292A89.4Confident85.9Confident50 Ų50104 Ų10441%0.41354%0.535SS..Hα-helixtrans-63.2-46.9174.600000112.3E288 S289 I290 M294 R295 L296E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 3.39Å; S289-A292 PolarHBondContact O-N 3.12Å; I290-A292 VanDerWaalsContact C-N 3.31Å; I290-A292 PolarHBondContact O-N 3.15Å; A292-M294 PolarHBondContact O-N 3.13Å; A292-R295 PolarHBondContact O-N 3.34Å; A292-L296 WeakPolarHBondContact O-CG 3.38Å; A292-L296 PolarHBondContact O-N 3.38Å
293S90.1Very high86.3Confident69 Ų69105.7 Ų105.748%0.48354%0.535SS..Hα-helixtrans-62.8-41.2176.2680000112.8S289 I290 R295 L296 A297S289-S293 PolarHBondContact O-N 3.48Å; S289-S293 PolarHBondContact O-OG 2.84Å; I290-S293 PolarHBondContact O-N 3.43Å; I290-S293 PolarHBondContact O-OG 3.05Å; S293-R295 VanDerWaalsContact C-N 3.34Å; S293-R295 PolarHBondContact O-N 3.25Å; S293-L296 PolarHBondContact O-N 2.91Å; S293-A297 PolarHBondContact O-N 3.47Å
294M89.3Confident86.3Confident100 Ų100104.1 Ų104.149%0.49353%0.532SS..Hα-helixtrans-63-40.4175.4179.317157.700111.5I290 V291 A292 L296 A297 Y298I290-M294 WeakPolarHBondContact O-CB 3.48Å; I290-M294 PolarHBondContact O-N 3.24Å; V291-M294 PolarHBondContact O-N 2.74Å; A292-M294 PolarHBondContact O-N 3.13Å; M294-L296 VanDerWaalsContact C-N 3.35Å; M294-L296 PolarHBondContact O-N 2.9Å; M294-A297 PolarHBondContact O-N 3.09Å; M294-Y298 HydrophobicContact CG-CD2 3.96Å; M294-Y298 HydrophobicContact CG-CE2 3.82Å; M294-Y298 VanDerWaalsContact O-CD2 3.28Å; M294-Y298 WeakPolarHBondContact O-CD2 3.35Å; M294-Y298 PolarHBondContact O-N 2.97Å; M294-Y298 HydrophobicContact SD-CE2 4.31Å
295R90.9Very high86.5Confident189 Ų189104.4 Ų104.471%0.71353%0.53SS*.Hα-helixtrans-63.2-39.2176-173.3-179.2-179.9109.10.6112.2V291 A292 S293 Y298 Q299V291-R295 WeakPolarHBondContact O-CB 3.42Å; V291-R295 PolarHBondContact O-N 3.12Å; A292-R295 PolarHBondContact O-N 3.34Å; S293-R295 VanDerWaalsContact C-N 3.34Å; S293-R295 PolarHBondContact O-N 3.25Å; R295-Y298 PolarHBondContact O-N 3.14Å; R295-Q299 PolarHBondContact O-N 3.3Å; R295-Q299 VanDerWaalsContact O-N 3.11Å
296L89.6Confident86.9Confident113 Ų113104.5 Ų104.559%0.59253%0.529SS*.Hα-helixtrans-65.1-44.6175.6-70.9170.5000111.6A292 S293 M294 Y298 Q299 E300A292-L296 WeakPolarHBondContact O-CG 3.38Å; A292-L296 PolarHBondContact O-N 3.38Å; S293-L296 PolarHBondContact O-N 2.91Å; M294-L296 VanDerWaalsContact C-N 3.35Å; M294-L296 PolarHBondContact O-N 2.9Å; L296-Y298 VanDerWaalsContact C-N 3.32Å; L296-Y298 PolarHBondContact O-N 2.86Å; L296-Q299 WeakPolarHBondContact O-CA 3.44Å; L296-Q299 WeakPolarHBondContact O-CB 3.44Å; L296-Q299 PolarHBondContact O-N 3.01Å; L296-E300 PolarHBondContact O-N 3.09Å
297A88.1Confident87Confident46 Ų46106.7 Ų106.738%0.3853%0.531SS..Hα-helixtrans-59.7-39.8175.400000112.7S293 M294 Q299 E300 L301S293-A297 PolarHBondContact O-N 3.47Å; M294-A297 PolarHBondContact O-N 3.09Å; A297-Q299 VanDerWaalsContact C-N 3.3Å; A297-Q299 PolarHBondContact O-N 3.06Å; A297-E300 PolarHBondContact O-N 3.38Å; A297-L301 WeakPolarHBondContact O-CG 3.35Å; A297-L301 PolarHBondContact O-N 3.05Å
298Y85.6Confident86.8Confident152 Ų152106.8 Ų106.860%0.59653%0.532SS*.Hα-helixtrans-64.7-30.9172.2-86.3-67.2000113.6M294 R295 L296 Q302M294-Y298 HydrophobicContact CG-CD2 3.96Å; M294-Y298 HydrophobicContact CG-CE2 3.82Å; M294-Y298 VanDerWaalsContact O-CD2 3.28Å; M294-Y298 WeakPolarHBondContact O-CD2 3.35Å; M294-Y298 PolarHBondContact O-N 2.97Å; M294-Y298 HydrophobicContact SD-CE2 4.31Å; R295-Y298 PolarHBondContact O-N 3.14Å; L296-Y298 VanDerWaalsContact C-N 3.32Å; L296-Y298 PolarHBondContact O-N 2.86Å; Y298-Q302 WeakPolarHBondContact O-CG 3.32Å; Y298-Q302 PolarHBondContact O-N 3.24Å
299Q90.9Very high86.6Confident108 Ų108103.9 Ų103.951%0.50552%0.518SS..Hα-helixtrans-75.9-38.1176.7-173.9170-13.300111.7R295 L296 A297 Q302 I303R295-Q299 PolarHBondContact O-N 3.3Å; R295-Q299 VanDerWaalsContact O-N 3.11Å; L296-Q299 WeakPolarHBondContact O-CA 3.44Å; L296-Q299 WeakPolarHBondContact O-CB 3.44Å; L296-Q299 PolarHBondContact O-N 3.01Å; A297-Q299 VanDerWaalsContact C-N 3.3Å; A297-Q299 PolarHBondContact O-N 3.06Å; Q299-Q302 PolarHBondContact O-N 2.68Å; Q299-I303 HydrophobicContact CG-CD1 4.4Å; Q299-I303 WeakPolarHBondContact O-CG1 3.37Å; Q299-I303 PolarHBondContact O-N 3.1Å
300E89.3Confident86.3Confident128 Ų128106.1 Ų106.160%0.59852%0.518SS*.Hα-helixtrans-62-49.3173.7-169.6164.4-141.200111.1L296 A297 Q302 I303 D304L296-E300 PolarHBondContact O-N 3.09Å; A297-E300 PolarHBondContact O-N 3.38Å; E300-Q302 PolarHBondContact O-N 3.11Å; E300-I303 WeakPolarHBondContact O-CA 3.31Å; E300-I303 WeakPolarHBondContact O-CB 3.48Å; E300-I303 PolarHBondContact O-N 3.48Å; E300-D304 PolarHBondContact O-N 3.12Å
301L84.8Confident86Confident113 Ų113107.4 Ų107.459%0.59252%0.52SS*.Hα-helixtrans-57.7-31.9173.6-70.9170.7000113.5A297 R305A297-L301 WeakPolarHBondContact O-CG 3.35Å; A297-L301 PolarHBondContact O-N 3.05Å; L301-R305 WeakPolarHBondContact O-CB 3.22Å; L301-R305 PolarHBondContact O-N 2.98Å; L301-R305 VanDerWaalsContact O-N 3.08Å
302Q87.3Confident84.6Confident110 Ų110108.5 Ų108.551%0.51452%0.522SS..Hα-helixtrans-76.2-27.6173.8-75.4-177.730.100113.5Y298 Q299 E300 K306Y298-Q302 WeakPolarHBondContact O-CG 3.32Å; Y298-Q302 PolarHBondContact O-N 3.24Å; Q299-Q302 PolarHBondContact O-N 2.68Å; E300-Q302 PolarHBondContact O-N 3.11Å; Q302-K306 WeakPolarHBondContact O-CB 3.32Å; Q302-K306 WeakPolarHBondContact O-CG 3.38Å; Q302-K306 PolarHBondContact O-N 3.33Å
303I89.6Confident83.6Confident93 Ų93112.7 Ų112.748%0.47753%0.533SS..Hα-helixtrans-72.6-47.3172.6-69.6162.9000109.1Q299 E300 R305 K306 M307Q299-I303 HydrophobicContact CG-CD1 4.4Å; Q299-I303 WeakPolarHBondContact O-CG1 3.37Å; Q299-I303 PolarHBondContact O-N 3.1Å; E300-I303 WeakPolarHBondContact O-CA 3.31Å; E300-I303 WeakPolarHBondContact O-CB 3.48Å; E300-I303 PolarHBondContact O-N 3.48Å; I303-R305 PolarHBondContact O-N 2.97Å; I303-K306 CarbonylContact O-C 3.59Å; I303-K306 PolarHBondContact O-N 2.92Å; I303-K306 VanDerWaalsContact O-N 3.15Å; I303-M307 HydrophobicContact CG2-CG 4.3Å; I303-M307 WeakPolarHBondContact O-CG 3.46Å; I303-M307 PolarHBondContact O-N 3.39Å
304D82.5Confident82.4Confident96 Ų96116.1 Ų116.151%0.51355%0.546SS..Hα-helixtrans-59.8-46.8177.9-80.7-21.6000112.1E300 K306 M307 E308E300-D304 PolarHBondContact O-N 3.12Å; D304-K306 VanDerWaalsContact C-N 3.28Å; D304-K306 PolarHBondContact O-N 3.26Å; D304-M307 CarbonylContact O-C 3.51Å; D304-M307 WeakPolarHBondContact O-CA 3.47Å; D304-M307 WeakPolarHBondContact O-CB 3.43Å; D304-M307 PolarHBondContact O-N 3.35Å; D304-E308 PolarHBondContact O-N 3.06Å
305R86.9Confident80.9Confident138 Ų138115.4 Ų115.452%0.52154%0.544SS..Hα-helixtrans-60.2-37.8176.3-152.5-163.381.1-149.42.7112.2L301 I303 E308 E309L301-R305 WeakPolarHBondContact O-CB 3.22Å; L301-R305 PolarHBondContact O-N 2.98Å; L301-R305 VanDerWaalsContact O-N 3.08Å; I303-R305 PolarHBondContact O-N 2.97Å; R305-E308 PolarHBondContact O-N 2.68Å; R305-E309 IonicContact CZ-OE1 3.23Å; R305-E309 IonicContact NE-OE1 2.68Å; R305-E309 PolarHBondContact NE-OE1 3.44Å; R305-E309 IonicContact NH2-OE1 3.95Å; R305-E309 PolarHBondContact NH2-OE1 3.37Å; R305-E309 IonicContact NH2-OE2 2.66Å; R305-E309 WeakPolarHBondContact O-CB 3.5Å; R305-E309 WeakPolarHBondContact O-CG 3.4Å; R305-E309 PolarHBondContact O-N 3.16Å
306K87.1Confident79.2Confident113 Ų113112 Ų11249%0.49154%0.536SS..Hα-helixtrans-71.6-30.2174.1-77.4174.8178.2172.80113.2Q302 I303 D304 K310Q302-K306 WeakPolarHBondContact O-CB 3.32Å; Q302-K306 WeakPolarHBondContact O-CG 3.38Å; Q302-K306 PolarHBondContact O-N 3.33Å; I303-K306 CarbonylContact O-C 3.59Å; I303-K306 PolarHBondContact O-N 2.92Å; I303-K306 VanDerWaalsContact O-N 3.15Å; D304-K306 VanDerWaalsContact C-N 3.28Å; D304-K306 PolarHBondContact O-N 3.26Å; K306-K310 WeakPolarHBondContact O-CB 3.42Å; K306-K310 VanDerWaalsContact O-CG 3.24Å; K306-K310 WeakPolarHBondContact O-CG 3.34Å; K306-K310 PolarHBondContact O-N 3.49Å
307M82.4Confident77.9Confident96 Ų96109.9 Ų109.947%0.47354%0.542SS..Hα-helixtrans-72.7-35.4173.2-73.2-69.3-77.300111.2I303 D304 K311I303-M307 HydrophobicContact CG2-CG 4.3Å; I303-M307 WeakPolarHBondContact O-CG 3.46Å; I303-M307 PolarHBondContact O-N 3.39Å; D304-M307 CarbonylContact O-C 3.51Å; D304-M307 WeakPolarHBondContact O-CA 3.47Å; D304-M307 WeakPolarHBondContact O-CB 3.43Å; D304-M307 PolarHBondContact O-N 3.35Å; M307-K311 WeakPolarHBondContact O-CB 3.31Å; M307-K311 WeakPolarHBondContact O-CG 3.18Å; M307-K311 PolarHBondContact O-N 3.4Å
308E77.8Confident76.5Confident121 Ų121116.1 Ų116.157%0.56556%0.56SS**Hα-helixtrans-69-49.4171.6-172.8169.9-137.200111.8D304 R305 K310 K311 L312D304-E308 PolarHBondContact O-N 3.06Å; R305-E308 PolarHBondContact O-N 2.68Å; E308-K310 VanDerWaalsContact C-N 3.26Å; E308-K310 PolarHBondContact O-N 3.28Å; E308-K311 WeakPolarHBondContact O-CB 3.39Å; E308-K311 PolarHBondContact O-N 3.01Å; E308-L312 HydrophobicContact CG-CD1 4.27Å; E308-L312 WeakPolarHBondContact O-CG 3.44Å; E308-L312 PolarHBondContact O-N 3.45Å
309E78.1Confident75.2Confident74 Ų74115.7 Ų115.735%0.34656%0.561SS.*Hα-helixtrans-51.4-45171.7-75.7164.7-172.900111.6R305 L312 Q313R305-E309 IonicContact CZ-OE1 3.23Å; R305-E309 IonicContact NE-OE1 2.68Å; R305-E309 PolarHBondContact NE-OE1 3.44Å; R305-E309 IonicContact NH2-OE1 3.95Å; R305-E309 PolarHBondContact NH2-OE1 3.37Å; R305-E309 IonicContact NH2-OE2 2.66Å; R305-E309 WeakPolarHBondContact O-CB 3.5Å; R305-E309 WeakPolarHBondContact O-CG 3.4Å; R305-E309 PolarHBondContact O-N 3.16Å; E309-L312 PolarHBondContact O-N 3.16Å; E309-Q313 WeakPolarHBondContact O-CG 3.23Å; E309-Q313 PolarHBondContact O-N 3.02Å
310K80.1Confident73.7Confident126 Ų126118.2 Ų118.255%0.54857%0.566SS.*Hα-helixtrans-67.5-39.5175-77.9176.5177-175.40113.5K306 E308 L312 Q313 N314K306-K310 WeakPolarHBondContact O-CB 3.42Å; K306-K310 VanDerWaalsContact O-CG 3.24Å; K306-K310 WeakPolarHBondContact O-CG 3.34Å; K306-K310 PolarHBondContact O-N 3.49Å; E308-K310 VanDerWaalsContact C-N 3.26Å; E308-K310 PolarHBondContact O-N 3.28Å; K310-L312 VanDerWaalsContact C-N 3.33Å; K310-Q313 PolarHBondContact O-N 3.48Å; K310-N314 PolarHBondContact O-N 2.9Å; K310-N314 PolarHBondContact O-ND2 3.23Å
311K75.7Confident72.3Confident135 Ų135119.4 Ų119.459%0.58757%0.572SS**Hα-helixtrans-61.4-43.4174.4-78.3165.5-178.6174.80110.5M307 E308 N314 L315M307-K311 WeakPolarHBondContact O-CB 3.31Å; M307-K311 WeakPolarHBondContact O-CG 3.18Å; M307-K311 PolarHBondContact O-N 3.4Å; E308-K311 WeakPolarHBondContact O-CB 3.39Å; E308-K311 PolarHBondContact O-N 3.01Å; K311-N314 PolarHBondContact O-N 2.85Å; K311-L315 VanDerWaalsContact O-CG 3.3Å; K311-L315 WeakPolarHBondContact O-CG 3.3Å; K311-L315 PolarHBondContact O-N 2.83Å; K311-L315 VanDerWaalsContact O-N 3.17Å
312L61.2Low70.9Confident109 Ų109120.2 Ų120.257%0.57157%0.572SS**Hα-helixtrans-62.1-47.4176.2-68170000111.5E308 E309 K310 N314 L315 E316E308-L312 HydrophobicContact CG-CD1 4.27Å; E308-L312 WeakPolarHBondContact O-CG 3.44Å; E308-L312 PolarHBondContact O-N 3.45Å; E309-L312 PolarHBondContact O-N 3.16Å; K310-L312 VanDerWaalsContact C-N 3.33Å; L312-N314 VanDerWaalsContact C-N 3.28Å; L312-N314 PolarHBondContact O-N 3.25Å; L312-L315 PolarHBondContact O-N 3.33Å; L312-E316 PolarHBondContact O-N 3.45Å
313Q68.7Low69.6Low137 Ų137116.9 Ų116.964%0.6456%0.564SS**Hα-helixtrans-60.1-34.4174.9-74.9178.6-12.900113.2E309 K310 L315 E316E309-Q313 WeakPolarHBondContact O-CG 3.23Å; E309-Q313 PolarHBondContact O-N 3.02Å; K310-Q313 PolarHBondContact O-N 3.48Å; Q313-L315 VanDerWaalsContact C-N 3.29Å; Q313-L315 PolarHBondContact O-N 3.49Å; Q313-E316 PolarHBondContact O-N 3.18Å
314N64.9Low68.3Low142 Ų142118.8 Ų118.876%0.75957%0.571SS**THydrogen-bonded Turntrans-78.4-7.7175.5-79-93.2000114K310 K311 L312K310-N314 PolarHBondContact O-N 2.9Å; K310-N314 PolarHBondContact O-ND2 3.23Å; K311-N314 PolarHBondContact O-N 2.85Å; L312-N314 VanDerWaalsContact C-N 3.28Å; L312-N314 PolarHBondContact O-N 3.25Å
315L58.4Low67.2Low84 Ų84125.3 Ų125.344%0.4459%0.588SS.*THydrogen-bonded Turntrans-100.7-10.8174-70.1167000112.8K311 L312 Q313 G317 K319K311-L315 VanDerWaalsContact O-CG 3.3Å; K311-L315 WeakPolarHBondContact O-CG 3.3Å; K311-L315 PolarHBondContact O-N 2.83Å; K311-L315 VanDerWaalsContact O-N 3.17Å; L312-L315 PolarHBondContact O-N 3.33Å; Q313-L315 VanDerWaalsContact C-N 3.29Å; Q313-L315 PolarHBondContact O-N 3.49Å; L315-G317 PolarHBondContact O-N 3.47Å; L315-K319 HydrophobicContact CD2-CB 4.35Å; L315-K319 HydrophobicContact CD2-CD 3.92Å
316E54.5Low66.1Low119 Ų119125.5 Ų125.556%0.55660%0.598SS**THydrogen-bonded Turntrans-78.3116.2-176-162.2133-101.700110.9L312 Q313 R320L312-E316 PolarHBondContact O-N 3.45Å; Q313-E316 PolarHBondContact O-N 3.18Å; E316-R320 IonicContact OE1-CZ 2.74Å; E316-R320 IonicContact OE1-NH1 3.77Å; E316-R320 PolarHBondContact OE1-NH1 3.09Å
317G61.9Low64.3Low68 Ų68123.1 Ų123.170%0.70161%0.607SS**THydrogen-bonded Turntrans152.4-55.3-179.700000113.5L315L315-G317 PolarHBondContact O-N 3.47Å
318K58.6Low63.1Low177 Ų177124.5 Ų124.577%0.7761%0.613SS**THydrogen-bonded Turntrans-144.9-13.2178.2-66.6-168.3178.1-177.10116.6
319K59Low61.6Low142 Ų142121.7 Ų121.762%0.61762%0.617SS**THydrogen-bonded Turntrans-89.2-29-176.2-119.8178.9-178.8-179.70114L315 Q322 A323L315-K319 HydrophobicContact CD2-CB 4.35Å; L315-K319 HydrophobicContact CD2-CD 3.92Å; K319-Q322 PolarHBondContact O-N 3.23Å; K319-A323 PolarHBondContact O-N 3.33Å
320R58.8Low60.2Low161 Ų161127.9 Ų127.961%0.60864%0.643SS**Hα-helixtrans-58.8-48.5180-174.5173.5174.1163.81112.7E316 Q322 A323 E324E316-R320 IonicContact OE1-CZ 2.74Å; E316-R320 IonicContact OE1-NH1 3.77Å; E316-R320 PolarHBondContact OE1-NH1 3.09Å; R320-Q322 VanDerWaalsContact C-N 3.32Å; R320-Q322 PolarHBondContact O-N 3.24Å; R320-A323 PolarHBondContact O-N 3.12Å; R320-E324 PolarHBondContact O-N 3.04Å
321E59.4Low58.4Low153 Ų153125.2 Ų125.272%0.71565%0.651SS**Hα-helixtrans-64.3-32.9-179.6-167.8175.9-158.300112.8R325E321-R325 WeakPolarHBondContact O-CB 3.41Å; E321-R325 PolarHBondContact O-N 3.49Å; E321-R325 VanDerWaalsContact O-N 3.08Å
322Q56.9Low57.3Low130 Ų130122.2 Ų122.261%0.60766%0.659SS**Hα-helixtrans-71.6-37.8174-68.3-174.4-30.300112.5K319 R320 R325 L326K319-Q322 PolarHBondContact O-N 3.23Å; R320-Q322 VanDerWaalsContact C-N 3.32Å; R320-Q322 PolarHBondContact O-N 3.24Å; Q322-R325 PolarHBondContact O-N 3.36Å; Q322-L326 WeakPolarHBondContact O-CB 3.49Å; Q322-L326 VanDerWaalsContact O-CG 3.31Å; Q322-L326 WeakPolarHBondContact O-CG 3.39Å; Q322-L326 PolarHBondContact O-N 3.19Å; Q322-L326 VanDerWaalsContact O-N 3.09Å
323A59.3Low56.8Low40 Ų40128.2 Ų128.233%0.33167%0.674SS.*Hα-helixtrans-67.7-38.9176.300000112.2K319 R320 L326 M328K319-A323 PolarHBondContact O-N 3.33Å; R320-A323 PolarHBondContact O-N 3.12Å; A323-L326 PolarHBondContact O-N 3.29Å; A323-M328 PolarHBondContact O-N 3.22Å
324E61.2Low55.3Low134 Ų134127.1 Ų127.163%0.62668%0.681SS**Hα-helixtrans-64.8-44174.9-171167.1-178.400111.5R320 L326 G327R320-E324 PolarHBondContact O-N 3.04Å; E324-L326 PolarHBondContact O-N 3.16Å; E324-G327 PolarHBondContact O-N 3.41Å
325R60.3Low54.7Low233 Ų233126.9 Ų126.988%0.87969%0.685SS**Hα-helixtrans-68.5-16.6175.4-164.2174-178.6110.71114.2E321 Q322 G327E321-R325 WeakPolarHBondContact O-CB 3.41Å; E321-R325 PolarHBondContact O-N 3.49Å; E321-R325 VanDerWaalsContact O-N 3.08Å; Q322-R325 PolarHBondContact O-N 3.36Å; R325-G327 VanDerWaalsContact C-N 3.32Å
326L63.4Low53.7Low141 Ų141128.1 Ų128.174%0.73870%0.695SS**THydrogen-bonded Turntrans-89.28.5170.2-74.3167.8000113.3Q322 A323 E324 M328Q322-L326 WeakPolarHBondContact O-CB 3.49Å; Q322-L326 VanDerWaalsContact O-CG 3.31Å; Q322-L326 WeakPolarHBondContact O-CG 3.39Å; Q322-L326 PolarHBondContact O-N 3.19Å; Q322-L326 VanDerWaalsContact O-N 3.09Å; A323-L326 PolarHBondContact O-N 3.29Å; E324-L326 PolarHBondContact O-N 3.16Å; L326-M328 VanDerWaalsContact C-N 3.32Å; L326-M328 PolarHBondContact O-N 3.37Å
327G50.8Low53.1Low64 Ų64127.8 Ų127.866%0.6671%0.706SS**THydrogen-bonded Turntrans79.95.7174.800000115E324 R325 G329E324-G327 PolarHBondContact O-N 3.41Å; R325-G327 VanDerWaalsContact C-N 3.32Å; G327-G329 PolarHBondContact O-N 3.21Å
328M56.9Low52.1Low125 Ų125132.3 Ų132.362%0.61671%0.709SS**  trans-80.356175.5-64-177.268.100111.4A323 L326 F330A323-M328 PolarHBondContact O-N 3.22Å; L326-M328 VanDerWaalsContact C-N 3.32Å; L326-M328 PolarHBondContact O-N 3.37Å; M328-F330 PolarHBondContact O-N 3.23Å; M328-F330 VanDerWaalsContact O-N 3.09Å
329G45Very low51.3Low62 Ų62129.7 Ų129.764%0.63971%0.713SS**  trans-7297.3-175.700000113.1G327 G331G327-G329 PolarHBondContact O-N 3.21Å; G329-G331 PolarHBondContact O-N 3.45Å
330F48.6Very low50.5Low204 Ų204128.8 Ų128.890%0.89572%0.719SS**  trans-73.765.6172.9-92.2-97.7000112.5M328M328-F330 PolarHBondContact O-N 3.23Å; M328-F330 VanDerWaalsContact O-N 3.09Å
331G42.6Very low49.6Very low70 Ų70129.6 Ų129.672%0.72273%0.732SS**  trans-85.5110169.100000111.2G329 R333G329-G331 PolarHBondContact O-N 3.45Å; G331-R333 PolarHBondContact O-N 3.36Å; G331-R333 VanDerWaalsContact O-N 3.1Å
332G53.8Low48.9Very low72 Ų72127.6 Ų127.674%0.74273%0.734SS**  trans-68.4106.1-173.900000114.6
333R49.4Very low48.4Very low234 Ų234130.9 Ų130.988%0.88375%0.75SS**  trans-167.2149.6154.6-99.3145.4-140.6-108.35.4111.2G331G331-R333 PolarHBondContact O-N 3.36Å; G331-R333 VanDerWaalsContact O-N 3.1Å
334S37.6Very low47.3Very low115 Ų115137.4 Ų137.480%0.80478%0.775SS**  trans70.2145.217978.70000116.8
335V51.4Low46.7Very low137 Ų137139.3 Ų139.383%0.8378%0.784SS**  trans-109115.9179.4172.40000108.4
336V39Very low46.2Very low109 Ų109134.7 Ų134.766%0.66178%0.782SS**  trans-141.697.7168.9-173.60000109.3
337S41Very low45.5Very low112 Ų112135.5 Ų135.578%0.78379%0.785SS**  trans-90.1104.5176-56.30000110.6
338H42Very low45.5Very low164 Ų164141 Ų14176%0.75979%0.794SS**  trans-95.3115.5164.6-84.2-77.8000110.1V340H338-V340 PolarHBondContact O-N 3.35Å; H338-V340 VanDerWaalsContact O-N 3.17Å
339S39.9Very low44.5Very low122 Ų122143.3 Ų143.385%0.85380%0.803SS**  trans-71.9105.4178.4-56.10000111.6
340V43.5Very low44.4Very low122 Ų122149.1 Ų149.174%0.73981%0.814SS**  trans-124.384.1166.7-176.50000108.5H338H338-V340 PolarHBondContact O-N 3.35Å; H338-V340 VanDerWaalsContact O-N 3.17Å
341M40.3Very low43.9Very low179 Ų179145.1 Ų145.188%0.88281%0.806SS**  trans-139.474.7176.7-80.3-81.292.300110
342S43.8Very low44.1Very low110 Ų110148.1 Ų148.177%0.76981%0.813SS**SBendtrans-153.8125.4158.2-74.90000108.9
343E46.2Very low43.2Very low199 Ų199149.4 Ų149.493%0.9382%0.817SS**  trans50.677.4156.5-59-177.814100117.8
344M37.3Very low42.4Very low177 Ų177142.2 Ų142.287%0.87282%0.815SS**  trans-96.799.1152.7-177.269.6-172.500108.6
345Q47.2Very low42.3Very low174 Ų174141.7 Ų141.781%0.81382%0.817SS**  trans-78.2137.9171.6-115.1177.9-17.900110.2I347Q345-I347 PolarHBondContact O-N 3.46Å
346V49.7Very low41.5Very low136 Ų136144.3 Ų144.382%0.82482%0.818SS**  trans-76.3118.5178178.80000109.2
347I49.2Very low41.1Very low158 Ų158145.1 Ų145.181%0.8182%0.823SS**  trans-88.6115.4166.2-60.7175.4000107Q345Q345-I347 PolarHBondContact O-N 3.46Å
348E51.9Low40.6Very low180 Ų180144.8 Ų144.884%0.84182%0.821SS**  trans-81123.5179.1-164.8157.7-138.700109.8
349Q36.1Very low40.1Very low173 Ų173141.6 Ų141.681%0.80882%0.817SS**  trans-111.288.6-172.2-173.1-178.41.400110.7
350E42.4Very low39.8Very low185 Ų185147 Ų14786%0.86482%0.818SS**  trans-66.7140.1170.5-66-162.6130.800111.2
351T38.3Very low39.2Very low120 Ų120145.7 Ų145.774%0.73682%0.815SS**  trans-106.7138.4179.533.30000111.4
352P46.2Very low39.1Very low132 Ų132144.6 Ų144.686%0.85781%0.805SS**  trans-81.1140-17231.9-35.4000112.9
353A34.1Very low38.5Very low100 Ų100146.2 Ų146.283%0.82680%0.804SS**  trans-135.5116.8-18000000114.4
354G33.1Very low38Very low82 Ų82141.3 Ų141.385%0.84579%0.785SS**  trans48.397.114500000120.5
355A36.7Very low37.7Very low104 Ų104141 Ų14186%0.8679%0.785SS**  trans-74.8136.816800000113.5
356K32.7Very low37.1Very low193 Ų193141.1 Ų141.184%0.83978%0.784SS**  trans-145.9111.3161.9-76.2-162.4178.5-179.80114.5
357T30.7Very low36.3Very low125 Ų125142 Ų14277%0.76778%0.784SS**  trans48.9102.8136.260.60000122.1
358S30.5Very low35.7Very low106 Ų106142.2 Ų142.274%0.74178%0.781SS**  66126.2111.4149.50000123
359S32.6Very low35.7Very low96 Ų96138.9 Ų138.967%0.67178%0.775SS**  trans97.5119.3134-71.70000122.9
360R32.5Very low35.5Very low236 Ų236134.2 Ų134.289%0.89177%0.774SS**  trans71.5143.9139-63.5170.887.11392.2118.2
361S32.5Very low34.9Very low95 Ų95135.1 Ų135.166%0.66478%0.775SS**  cis-175.2150.2-12.750.20000112.7
362K38.1Very low34.6Very low155 Ų155135.5 Ų135.567%0.67478%0.777SS**  trans69.1137148.7-158.8158.2173.6135.80115.4D364K362-D364 WeakPolarHBondContact CE-OD1 3.31Å; K362-D364 WeakPolarHBondContact CE-OD2 3.25Å; K362-D364 IonicContact NZ-OD1 3.19Å; K362-D364 PolarHBondContact NZ-OD1 3.08Å; K362-D364 IonicContact NZ-OD2 2.84Å; K362-D364 PolarHBondContact NZ-OD2 3.25Å
363L30.5Very low34Very low144 Ų144134.5 Ų134.575%0.75477%0.774SS**  -151.9124.959.5-176.369.7000115.5
364D36.1Very low33.7Very low97 Ų97133.1 Ų133.152%0.51977%0.769SS.*  trans15.8132.1146.7-44.1-10.9000121.8K362K362-D364 WeakPolarHBondContact CE-OD1 3.31Å; K362-D364 WeakPolarHBondContact CE-OD2 3.25Å; K362-D364 IonicContact NZ-OD1 3.19Å; K362-D364 PolarHBondContact NZ-OD1 3.08Å; K362-D364 IonicContact NZ-OD2 2.84Å; K362-D364 PolarHBondContact NZ-OD2 3.25Å
365L31Very low34.1Very low169 Ų169134.1 Ų134.189%0.88576%0.761SS**  -147.1155.2116.8-163.556.5000110.6
366F34.5Very low34.3Very low177 Ų177135.7 Ų135.778%0.77676%0.762SS**  trans-71.9157.7-174.2-79.8-118.8000112.1
367D32Very low34.4Very low155 Ų155134.7 Ų134.783%0.82976%0.758SS**  -162.8164.764-155.1-142.4000114.9
368E36.2Very low34.7Very low162 Ų162137.3 Ų137.376%0.75775%0.754SS**  trans-150165.2178.8-131.2-120.6124.800108.1
369P53.8Low34.9Very low110 Ų110139.3 Ų139.371%0.71475%0.75SS**  cis-129.8178.5943.8-29.1000115.1
370G31.5Very low35.1Very low75 Ų75140.2 Ų140.277%0.77375%0.747SS**  trans178.783.8172.900000117.6
371F30.3Very low35.3Very low205 Ų205135.2 Ų135.290%0.89974%0.738SS**  trans-74.7162.2-177.2-142-105.3000114.9
372T31.9Very low36.2Very low127 Ų127135.7 Ų135.778%0.77974%0.739SS**  trans100151.7150.3-137.80000121.9
373S32.3Very low35.8Very low112 Ų112137.7 Ų137.778%0.78375%0.748SS**  trans-85.9153.7-169.156.60000115.4
374G28Very low36Very low70 Ų70138.4 Ų138.472%0.72275%0.75SS**  trans-169.4139.816300000113.1
375P40.7Very low35.8Very low104 Ų104139.8 Ų139.868%0.67576%0.761SS**  trans-91.1155.5-177.735.7-35.3000113.2K377P375-K377 PolarHBondContact O-N 3.46Å
376P41Very low35.7Very low136 Ų136134.9 Ų134.988%0.88375%0.752SS**  trans-72.188.5168.131.2-34.2000111.2
377K35.8Very low35.7Very low173 Ų173134.9 Ų134.975%0.75276%0.759SS**  trans-75.2154144.5-62.4-178.4-178.81790106.6P375P375-K377 PolarHBondContact O-N 3.46Å
378Y36Very low35.9Very low179 Ų179130.7 Ų130.770%0.70275%0.753SS**  cis-163.2165.620.4-137.3-164.6000104.9
379K34.7Very low35.3Very low149 Ų149132.7 Ų132.765%0.64876%0.76SS**  cis-157.41426.4-145177.9179.6172.80104.8
380D36.9Very low34Very low114 Ų114130 Ų13061%0.6175%0.752SS**  cis63.8141.146.3-70.911.8000113.3
381N37.5Very low33.9Very low131 Ų131132 Ų13270%0.70175%0.754SS**  cis-159.3167.7-5.5-112.9-23.6000111.2
382P52.1Low33.9Very low106 Ų106131.7 Ų131.769%0.68875%0.747SS**  trans-87.2148170.135.7-32.4000112.9
383F29.3Very low34.1Very low196 Ų196137.9 Ų137.986%0.8676%0.756SS**  trans-172.9146.3160.4-105.6-75000104.6V385F383-V385 HydrophobicContact CD1-CG2 4.45Å
384M34.7Very low34.1Very low160 Ų160138.3 Ų138.379%0.78875%0.75SS**  cis-142144.226.8-62.4-173.47000111.3
385V32.4Very low34.2Very low126 Ų126139 Ų13976%0.76475%0.749SS**  68.5128101.3-174.60000116.5F383F383-V385 HydrophobicContact CD1-CG2 4.45Å
386G29Very low33.7Very low66 Ų66142.1 Ų142.168%0.6876%0.759SS**  trans96.2130.5165.900000114.8
387D33.8Very low33.1Very low176 Ų176138.9 Ų138.994%0.94175%0.751SS**  cis-152.2160.2-13.2-139.9-27.2000110.7
388G35.4Very low32.7Very low68 Ų68133.8 Ų133.870%0.70175%0.748SS**  trans-115.4102.9-162.600000116.9
389F24.9Very low32.4Very low204 Ų204132.4 Ų132.490%0.89576%0.758SS**  trans-160.7145.8164.5-147.4-101.6000110.2
390G26.3Very low32.3Very low53 Ų53130 Ų13055%0.54677%0.766SS.*  cis162.9131.8-8.400000111.5
391S29.7Very low32.2Very low117 Ų117130 Ų13082%0.81878%0.775SS**  trans74.9150.9157.6-51.20000121
392R30.1Very low31.7Very low198 Ų198131.9 Ų131.975%0.74778%0.777SS**  trans79.5109.7139.4-159.8167.5-164.4169.21.6120.6D394R392-D394 HydrophobicContact CG-CB 4.04Å; R392-D394 IonicContact CZ-OD2 2.65Å; R392-D394 IonicContact NE-OD2 2.68Å; R392-D394 PolarHBondContact NE-OD2 3.4Å; R392-D394 IonicContact NH2-OD2 2.76Å; R392-D394 PolarHBondContact NH2-OD2 3.3Å
393W35.4Very low30.8Very low257 Ų257130.9 Ų130.997%0.97377%0.769SS**  trans-75.9121.4143-74.975.2000109.3
394D31.7Very low30.8Very low122 Ų122128.7 Ų128.765%0.65277%0.772SS**  trans167.5142.1162.8-96.8-29.2000107.3R392R392-D394 HydrophobicContact CG-CB 4.04Å; R392-D394 IonicContact CZ-OD2 2.65Å; R392-D394 IonicContact NE-OD2 2.68Å; R392-D394 PolarHBondContact NE-OD2 3.4Å; R392-D394 IonicContact NH2-OD2 2.76Å; R392-D394 PolarHBondContact NH2-OD2 3.3Å
395A31.6Very low30.8Very low84 Ų84123.4 Ų123.469%0.69475%0.754SS**  cis-160.6168.3-5.800000111.4
396D29.1Very low30.7Very low169 Ų169128.1 Ų128.190%0.90476%0.758SS**  trans69.5165.5151.7-159.626000119.3
397G28.1Very low30.9Very low68 Ų68128.6 Ų128.670%0.70176%0.756SS**  trans132.143.5156.800000120.3
398G27.4Very low30.7Very low67 Ų67127.4 Ų127.469%0.69175%0.748SS**  trans6894.614300000120.9
399T29.5Very low30.4Very low150 Ų150130.2 Ų130.292%0.9274%0.743SS**  13.4113125.8-45.40000119.7
400A32.4Very low30.6Very low99 Ų99127.6 Ų127.682%0.81873%0.732SS**  trans-167.1118.613800000112.9
401S36.2Very low30.7Very low113 Ų113131.9 Ų131.979%0.7974%0.742SS**  trans-102.2131.7165-73.30000110.5
402F27.2Very low30.8Very low170 Ų170134.3 Ų134.375%0.74674%0.74SS**  trans-150.478156.3-158.5-91.6000110.2
403T32.6Very low31.1Very low86 Ų86130 Ų13053%0.52874%0.738SS.*  61.4120.890.565.10000115.7A405T403-A405 PolarHBondContact O-N 3.48Å
404T30.1Very low30.7Very low149 Ų149125.1 Ų125.191%0.91472%0.724SS**  trans-84.493.9145.7-56.80000108.3
405A33.6Very low30.5Very low49 Ų49126.8 Ų126.841%0.40573%0.728SS.*  trans-69.2175.3154.800000108.8T403T403-A405 PolarHBondContact O-N 3.48Å
406W30.8Very low30.3Very low225 Ų225131.4 Ų131.485%0.85274%0.735SS**  cis-164.1166.844.6-68.781.2000107.3
407A32.4Very low30.4Very low76 Ų76129 Ų12963%0.62873%0.726SS**  cis-159148.2-5.100000106.9
408L30.7Very low30.4Very low151 Ų151131.6 Ų131.679%0.79173%0.728SS**  64.1140.379.7-119.681.9000113.4
409E28.6Very low30.5Very low128 Ų128135.6 Ų135.660%0.59873%0.733SS**  cis-163.6156.116.2-162.8-179.4-14900113.3
410K29.1Very low30.6Very low149 Ų149133.5 Ų133.565%0.64872%0.724SS**  trans61.5164.7154.4-84.2162-167147.60119.5
411D28.2Very low30.7Very low142 Ų142133.9 Ų133.976%0.75972%0.721SS**  cis-149.7170.2-6.1-122.4-33.9000109.8
412E31.4Very low30.7Very low168 Ų168135.2 Ų135.279%0.78572%0.717SS**  trans-100147.5164.5-100.7-119.6106.800109.5
413P36.1Very low30.9Very low109 Ų109135.3 Ų135.371%0.70872%0.72SS**  -157.5168.166.842.4-22.2000119.4
414K27.6Very low31.3Very low154 Ų154136.8 Ų136.867%0.6773%0.731SS**  trans65.4131.8141.9-87.2-174.2164.7-133.70123.1
415E28.4Very low31.6Very low157 Ų157138 Ų13873%0.73473%0.731SS**  trans81.8135.6136.7-75.7164.3-156.600123.1
416E26.5Very low31.4Very low180 Ų180139.3 Ų139.384%0.84175%0.748SS**  trans71.298.3151.8-138.7159.7-139.700124
417V30.7Very low31.6Very low120 Ų120137.4 Ų137.473%0.72775%0.749SS**  trans41.6113.7131.6-1710000120.7
418T28.6Very low31.5Very low121 Ų121145.5 Ų145.574%0.74276%0.763SS**  177.9136.6116.8280000116
419I30.7Very low31.8Very low152 Ų152146.4 Ų146.478%0.77977%0.768SS**  trans40.5101.2135.7-49.1171.3000121.1
420S31.3Very low32.2Very low106 Ų106146.2 Ų146.274%0.74178%0.778SS**  trans22.4129.5131.6-166.60000123.2
421S33Very low32.3Very low107 Ų107144.9 Ų144.975%0.74879%0.787SS**  -169.4119.9122.5-178.50000116.2
422I36.1Very low32.5Very low141 Ų141149.4 Ų149.472%0.72379%0.793SS**  trans-2130.4141.6-16.2177.9000117.6
423Q32Very low32.6Very low171 Ų171152.9 Ų152.980%0.79980%0.799SS**  170.3172.688-90.8-165.310.600110.8
424P41.2Very low32.4Very low118 Ų118155.9 Ų155.977%0.76680%0.801SS**  cis-125.8-165.3-12.633.4-12.2000113.7
425I37.3Very low32.5Very low175 Ų175153.3 Ų153.390%0.89781%0.809SS**  trans-102.5151.4-173.4-80.7167.5000113.6
426G28.8Very low32.7Very low75 Ų75153.2 Ų153.277%0.77381%0.808SS**  trans-16083172.900000115.3
427E34.4Very low33.2Very low185 Ų185149.7 Ų149.786%0.86481%0.81SS**  trans39.599153.8-56.6-170.915300122
428R30Very low33.3Very low246 Ų246149.1 Ų149.193%0.92881%0.811SS**  trans-158.7144.7130.9-133.2177178.495.5-3.2113.4
429L37.6Very low33.5Very low171 Ų171148.9 Ų148.990%0.89582%0.815SS**  trans-88.9147178-67.1166.1000112.5
430P37.2Very low33.8Very low124 Ų124146.8 Ų146.881%0.80582%0.82SS**  trans-119.8154.2154.236.3-26.9000114.5
431S30.4Very low34Very low120 Ų120144.8 Ų144.884%0.83982%0.816SS**  trans-51.9150.9-175.7-170.80000117
432R33.3Very low34.4Very low237 Ų237146 Ų14689%0.89482%0.824SS**  trans-103.2123.6178.4-177.9-175.1-173.9-173.62.6111.3
433R34.3Very low34.7Very low241 Ų241147.8 Ų147.891%0.90983%0.83SS**  trans-129.3147.7156-75-169.7175.4178.9-0.3109.9
434K30.4Very low35.7Very low172 Ų172142.9 Ų142.975%0.74881%0.814SS**  trans-64.7146.6-174.4-83.9178.8163-173.20112.2E436K434-E436 HydrophobicContact CB-CG 4.45Å; K434-E436 HydrophobicContact CD-CG 3.97Å; K434-E436 WeakPolarHBondContact CE-OE1 3.26Å; K434-E436 IonicContact NZ-OE1 3.67Å; K434-E436 PolarHBondContact NZ-OE1 3.08Å
435A31.3Very low36.6Very low100 Ų100141.5 Ų141.583%0.82681%0.808SS**  trans-102.8150.1135.400000107.7
436E31.7Very low38Very low155 Ų155138 Ų13872%0.72479%0.787SS**  trans-113.8161.4173.9-70.6-172.1140.300110.9K434K434-E436 HydrophobicContact CB-CG 4.45Å; K434-E436 HydrophobicContact CD-CG 3.97Å; K434-E436 WeakPolarHBondContact CE-OE1 3.26Å; K434-E436 IonicContact NZ-OE1 3.67Å; K434-E436 PolarHBondContact NZ-OE1 3.08Å
437A37.1Very low39.6Very low107 Ų107135.7 Ų135.788%0.88476%0.762SS**  trans-90.2162-161.200000114
438S33Very low41.3Very low107 Ų107136.9 Ų136.975%0.74876%0.758SS**  trans-126.1116.7166.457.60000110.5
439S32.9Very low43.3Very low116 Ų116132.6 Ų132.681%0.81175%0.748SS**  trans43103.5161.3590000118.3
440A36.5Very low45Very low108 Ų108131 Ų13189%0.89373%0.734SS**PPolyproline II helixtrans-72.2126.8156.200000109.9
441G35.1Very low46.8Very low64 Ų64127.8 Ų127.866%0.6671%0.708SS**PPolyproline II helixtrans-85.4153.216000000109.9E443G441-E443 PolarHBondContact O-N 2.88Å; G441-E443 VanDerWaalsContact O-N 3.16Å
442S41.2Very low49Very low132 Ų132125.7 Ų125.792%0.92370%0.697SS**PPolyproline II helixtrans-54118.6-175.8-54.40000112.6S444S442-S444 PolarHBondContact O-N 3.17Å
443E43.5Very low51.2Low179 Ų179122.5 Ų122.584%0.83670%0.698SS**PPolyproline II helixtrans-65.5116.5176.3-64.4-176.597.800110.3G441 S445G441-E443 PolarHBondContact O-N 2.88Å; G441-E443 VanDerWaalsContact O-N 3.16Å; E443-S445 PolarHBondContact O-N 3.18Å
444S52.1Low53.3Low68 Ų68113.2 Ų113.248%0.47667%0.673SS.*PPolyproline II helixtrans-72116.3174.8-173.40000110.4S442 E446 A447S442-S444 PolarHBondContact O-N 3.17Å; S444-E446 PolarHBondContact O-N 3.15Å; S444-E446 VanDerWaalsContact O-N 3.11Å; S444-E446 VanDerWaalsContact OG-CB 3.23Å; S444-E446 WeakPolarHBondContact OG-CB 3.21Å; S444-E446 PolarHBondContact OG-N 2.9Å; S444-A447 PolarHBondContact O-N 3.37Å
445S60.6Low55.6Low89 Ų89115.5 Ų115.562%0.62268%0.683SS**Hα-helixtrans-56.2-24.1173.352.20000112.9E443 A447 R448 Q449E443-S445 PolarHBondContact O-N 3.18Å; S445-A447 PolarHBondContact O-N 2.62Å; S445-R448 PolarHBondContact O-N 2.89Å; S445-Q449 PolarHBondContact O-N 3.07Å
446E66.1Low57.6Low101 Ų101115 Ų11547%0.47268%0.678SS.*Hα-helixtrans-57.7-44177.2-169.3-174.1179.700112.9S444 R448 Q449 K450S444-E446 PolarHBondContact O-N 3.15Å; S444-E446 VanDerWaalsContact O-N 3.11Å; S444-E446 VanDerWaalsContact OG-CB 3.23Å; S444-E446 WeakPolarHBondContact OG-CB 3.21Å; S444-E446 PolarHBondContact OG-N 2.9Å; E446-R448 VanDerWaalsContact C-N 3.32Å; E446-R448 PolarHBondContact O-N 3.32Å; E446-Q449 PolarHBondContact O-N 2.91Å; E446-K450 HydrophobicContact CG-CD 4.12Å; E446-K450 WeakPolarHBondContact O-CB 3.25Å; E446-K450 WeakPolarHBondContact O-CG 3.44Å; E446-K450 PolarHBondContact O-N 3.44Å; E446-K450 VanDerWaalsContact OE1-CE 3.3Å; E446-K450 WeakPolarHBondContact OE1-CE 3.41Å; E446-K450 IonicContact OE1-NZ 2.62Å; E446-K450 PolarHBondContact OE1-NZ 3.29Å
447A63.9Low59.6Low28 Ų28110.8 Ų110.823%0.23166%0.661CS.*Hα-helixtrans-66.4-38.4178.400000111.2S444 S445 Q449 K450 F451 F462S444-A447 PolarHBondContact O-N 3.37Å; S445-A447 PolarHBondContact O-N 2.62Å; A447-Q449 VanDerWaalsContact C-N 3.31Å; A447-Q449 PolarHBondContact O-N 3.38Å; A447-K450 PolarHBondContact O-N 3.24Å; A447-F451 WeakPolarHBondContact O-CD2 3.46Å; A447-F451 PolarHBondContact O-N 3.07Å; A447-F451 VanDerWaalsContact O-N 3.1Å; A447-F462 HydrophobicContact CB-CE2 3.99Å
448R69.3Low61.1Low209 Ų209108.3 Ų108.379%0.78964%0.637SS**Hα-helixtrans-69.6-27.5178.3-158.7171-174.6166.40.9112.5S445 E446S445-R448 PolarHBondContact O-N 2.89Å; E446-R448 VanDerWaalsContact C-N 3.32Å; E446-R448 PolarHBondContact O-N 3.32Å
449Q72.9Confident62.7Low156 Ų156106.6 Ų106.673%0.72963%0.625SS**Hα-helixtrans-78.4-47.5169.7-74-177.3-2000112.4S445 E446 A447 F451 A452S445-Q449 PolarHBondContact O-N 3.07Å; E446-Q449 PolarHBondContact O-N 2.91Å; A447-Q449 VanDerWaalsContact C-N 3.31Å; A447-Q449 PolarHBondContact O-N 3.38Å; Q449-F451 VanDerWaalsContact C-N 3.32Å; Q449-F451 PolarHBondContact O-N 3.41Å; Q449-A452 PolarHBondContact O-N 3.02Å
450K71.6Confident64.4Low138 Ų138103.6 Ų103.660%0.660%0.6SS**Hα-helixtrans-63.2-33.9-176.2-75.7178.7-178.2176.20113.8E446 A447E446-K450 HydrophobicContact CG-CD 4.12Å; E446-K450 WeakPolarHBondContact O-CB 3.25Å; E446-K450 WeakPolarHBondContact O-CG 3.44Å; E446-K450 PolarHBondContact O-N 3.44Å; E446-K450 VanDerWaalsContact OE1-CE 3.3Å; E446-K450 WeakPolarHBondContact OE1-CE 3.41Å; E446-K450 IonicContact OE1-NZ 2.62Å; E446-K450 PolarHBondContact OE1-NZ 3.29Å; A447-K450 PolarHBondContact O-N 3.24Å
451F75.6Confident66.1Low57 Ų57103.2 Ų103.225%0.2558%0.58CS.*THydrogen-bonded Turntrans-109.513.7-175.8-58.2-62000114.4A447 Q449 N453 A454 I457 M461A447-F451 WeakPolarHBondContact O-CD2 3.46Å; A447-F451 PolarHBondContact O-N 3.07Å; A447-F451 VanDerWaalsContact O-N 3.1Å; Q449-F451 VanDerWaalsContact C-N 3.32Å; Q449-F451 PolarHBondContact O-N 3.41Å; F451-N453 PolarHBondContact O-N 3.23Å; F451-A454 HydrophobicContact CB-CB 4.15Å; F451-A454 HydrophobicContact CD1-CB 4.41Å; F451-A454 WeakPolarHBondContact O-CB 3.4Å; F451-A454 PolarHBondContact O-N 2.97Å; F451-I457 HydrophobicContact CB-CD1 4.46Å; F451-I457 HydrophobicContact CB-CG2 4.04Å; F451-I457 HydrophobicContact CD1-CG2 3.71Å; F451-I457 HydrophobicContact CD2-CD1 4.21Å; F451-I457 HydrophobicContact CE1-CG2 4.3Å; F451-I457 HydrophobicContact CG-CD1 4.34Å; F451-I457 HydrophobicContact CG-CG2 3.86Å; F451-M461 HydrophobicContact CE1-CE 3.94Å
452A76.4Confident68Low75 Ų75105.2 Ų105.262%0.6257%0.571SS**THydrogen-bonded Turntrans-55.4-27.9-176.400000115.2Q449Q449-A452 PolarHBondContact O-N 3.02Å
453N80.4Confident69.6Low170 Ų170105.4 Ų105.491%0.90956%0.555SS**THydrogen-bonded Turntrans-106.56178-73.4-46.3000113.7F451F451-N453 PolarHBondContact O-N 3.23Å
454A76.9Confident70.5Confident46 Ų4698.7 Ų98.738%0.3853%0.534SS..  trans-83.6120.4-17800000111F451 A456 I457F451-A454 HydrophobicContact CB-CB 4.15Å; F451-A454 HydrophobicContact CD1-CB 4.41Å; F451-A454 WeakPolarHBondContact O-CB 3.4Å; F451-A454 PolarHBondContact O-N 2.97Å; A454-A456 VanDerWaalsContact C-N 3.26Å; A454-A456 PolarHBondContact O-N 3.09Å; A454-I457 HydrophobicContact CB-CG2 3.71Å
455K79.3Confident70.7Confident221 Ų221104 Ų10496%0.96154%0.544SS*.SBendtrans-72.5-18.8-178.5-169.4159.4-176.4165.40113.9
456A74.6Confident70.4Confident88 Ų88105.3 Ų105.373%0.72754%0.54SS*.  trans-157.1155.4164.700000108.3A454A454-A456 VanDerWaalsContact C-N 3.26Å; A454-A456 PolarHBondContact O-N 3.09Å
457I72.6Confident70Confident68 Ų68104.1 Ų104.135%0.34954%0.543SS..  trans-131.7145.2168.559.4-179.4000108.9F451 A454 F462F451-I457 HydrophobicContact CB-CD1 4.46Å; F451-I457 HydrophobicContact CB-CG2 4.04Å; F451-I457 HydrophobicContact CD1-CG2 3.71Å; F451-I457 HydrophobicContact CD2-CD1 4.21Å; F451-I457 HydrophobicContact CE1-CG2 4.3Å; F451-I457 HydrophobicContact CG-CD1 4.34Å; F451-I457 HydrophobicContact CG-CG2 3.86Å; A454-I457 HydrophobicContact CB-CG2 3.71Å; I457-F462 HydrophobicContact CD1-CB 4.06Å; I457-F462 HydrophobicContact CD1-CD2 3.72Å; I457-F462 HydrophobicContact CD1-CG 4.28Å
458S69.2Low69.6Low55 Ų55108.8 Ų108.839%0.38556%0.564SS.*  trans-76.3157.9171.468.10000110.7D460 M461 F462S458-D460 VanDerWaalsContact C-N 3.26Å; S458-D460 PolarHBondContact O-N 3.04Å; S458-M461 PolarHBondContact O-N 3.48Å; S458-M461 WeakPolarHBondContact OG-CB 3.34Å; S458-M461 VanDerWaalsContact OG-CG 3.27Å; S458-M461 WeakPolarHBondContact OG-CG 3.43Å; S458-M461 PolarHBondContact OG-N 3.45Å; S458-M461 VanDerWaalsContact OG-N 3.14Å; S458-F462 PolarHBondContact O-N 3.12Å; S458-F462 VanDerWaalsContact O-N 3.12Å
459S66Low69.3Low71 Ų71101.8 Ų101.850%0.49755%0.551SS.*Hα-helixtrans-53.7-45.8172.9178.90000111.1M461 F462 F463S459-M461 PolarHBondContact O-N 3.45Å; S459-F462 PolarHBondContact O-N 3.22Å; S459-F462 VanDerWaalsContact O-N 3.13Å; S459-F463 WeakPolarHBondContact O-CD2 3.36Å; S459-F463 PolarHBondContact O-N 3.41Å
460D68.7Low69Low53 Ų5399.4 Ų99.428%0.28354%0.54SS..Hα-helixtrans-76.9-22.4-174-55.4-87.1000113.5S458 G464 R465S458-D460 VanDerWaalsContact C-N 3.26Å; S458-D460 PolarHBondContact O-N 3.04Å; D460-G464 WeakPolarHBondContact O-CA 3.48Å; D460-G464 PolarHBondContact O-N 3.45Å; D460-R465 HydrophobicContact CB-CB 4.42Å; D460-R465 PolarHBondContact O-N 3.22Å; D460-R465 VanDerWaalsContact O-N 3.09Å; D460-R465 WeakPolarHBondContact OD1-CD 3.36Å; D460-R465 IonicContact OD1-CZ 2.72Å; D460-R465 IonicContact OD1-NH1 3.62Å; D460-R465 PolarHBondContact OD1-NH1 3.24Å
461M73.1Confident68.8Low99 Ų99100.5 Ų100.549%0.48854%0.541SS..Hα-helixtrans-69.8-37.5164.1-78.6177.370.200112.4F451 S458 S459F451-M461 HydrophobicContact CE1-CE 3.94Å; S458-M461 PolarHBondContact O-N 3.48Å; S458-M461 WeakPolarHBondContact OG-CB 3.34Å; S458-M461 VanDerWaalsContact OG-CG 3.27Å; S458-M461 WeakPolarHBondContact OG-CG 3.43Å; S458-M461 PolarHBondContact OG-N 3.45Å; S458-M461 VanDerWaalsContact OG-N 3.14Å; S459-M461 PolarHBondContact O-N 3.45Å
462F74.1Confident68.5Low106 Ų106102.6 Ų102.647%0.46555%0.552SS.*Hα-helixtrans-72.7-38.4178.2-176.1-102000112.3A447 I457 S458 S459A447-F462 HydrophobicContact CB-CE2 3.99Å; I457-F462 HydrophobicContact CD1-CB 4.06Å; I457-F462 HydrophobicContact CD1-CD2 3.72Å; I457-F462 HydrophobicContact CD1-CG 4.28Å; S458-F462 PolarHBondContact O-N 3.12Å; S458-F462 VanDerWaalsContact O-N 3.12Å; S459-F462 PolarHBondContact O-N 3.22Å; S459-F462 VanDerWaalsContact O-N 3.13Å
463F75.2Confident68.3Low136 Ų136101.3 Ų101.360%0.59654%0.542SS*.THydrogen-bonded Turntrans-93.43.9178-62.8-63.5000114.5S459 R465S459-F463 WeakPolarHBondContact O-CD2 3.36Å; S459-F463 PolarHBondContact O-N 3.41Å; F463-R465 HydrophobicContact CB-CG 4.31Å; F463-R465 PolarHBondContact O-N 2.59Å
464G61.7Low68.1Low38 Ų3898.8 Ų98.839%0.39252%0.522SS..THydrogen-bonded Turntrans64.233.1168.600000115.9D460 S467D460-G464 WeakPolarHBondContact O-CA 3.48Å; D460-G464 PolarHBondContact O-N 3.45Å; G464-S467 PolarHBondContact O-OG 3.48Å
465R57.4Low67.8Low180 Ų18099 Ų9968%0.67952%0.519SS*.  trans-81.6-25.4-168.6-64.7179.271-146.68.4114.6D460 F463D460-R465 HydrophobicContact CB-CB 4.42Å; D460-R465 PolarHBondContact O-N 3.22Å; D460-R465 VanDerWaalsContact O-N 3.09Å; D460-R465 WeakPolarHBondContact OD1-CD 3.36Å; D460-R465 IonicContact OD1-CZ 2.72Å; D460-R465 IonicContact OD1-NH1 3.62Å; D460-R465 PolarHBondContact OD1-NH1 3.24Å; F463-R465 HydrophobicContact CB-CG 4.31Å; F463-R465 PolarHBondContact O-N 2.59Å
466E53.9Low67.6Low117 Ų11792.6 Ų92.655%0.54749%0.491SS..SBendtrans-91-22.5-176.6-67.8177127.900114N468 A469 E470E466-N468 VanDerWaalsContact C-N 3.35Å; E466-N468 PolarHBondContact O-N 3.47Å; E466-A469 PolarHBondContact O-N 3.47Å; E466-A469 VanDerWaalsContact O-N 3.08Å; E466-E470 PolarHBondContact O-N 2.88Å
467S56.8Low67.6Low76 Ų7693.2 Ų93.253%0.53148%0.482SS..Hα-helixtrans-62.5-36.8-170.356.50000113.7G464 Y471G464-S467 PolarHBondContact O-OG 3.48Å; S467-Y471 WeakPolarHBondContact O-CB 3.27Å; S467-Y471 PolarHBondContact O-N 3.11Å
468N56.3Low67.9Low125 Ų12597.1 Ų97.167%0.66850%0.499SS*.Hα-helixtrans-68.6-44.8172.9-81.9-40.7000111.9E466 Y471 E472E466-N468 VanDerWaalsContact C-N 3.35Å; E466-N468 PolarHBondContact O-N 3.47Å; N468-Y471 PolarHBondContact O-N 3Å; N468-E472 VanDerWaalsContact O-CB 3.25Å; N468-E472 WeakPolarHBondContact O-CB 3.26Å; N468-E472 PolarHBondContact O-N 2.97Å
469A62.8Low68.1Low63 Ų6398.9 Ų98.952%0.52151%0.511SS..Hα-helixtrans-65.7-43.1-177.900000111.9E466 A473E466-A469 PolarHBondContact O-N 3.47Å; E466-A469 VanDerWaalsContact O-N 3.08Å; A469-A473 VanDerWaalsContact O-CB 3.27Å; A469-A473 WeakPolarHBondContact O-CB 3.46Å; A469-A473 PolarHBondContact O-N 3.08Å
470E66.3Low68.4Low106 Ų10696.7 Ų96.750%0.49549%0.494SS..Hα-helixtrans-66.2-41.2173.5-75.4-151151.300112.6E466 A473 K474E466-E470 PolarHBondContact O-N 2.88Å; E470-A473 PolarHBondContact O-N 3.45Å; E470-K474 HydrophobicContact CB-CD 4.49Å; E470-K474 VanDerWaalsContact O-CB 3.24Å; E470-K474 WeakPolarHBondContact O-CB 3.27Å; E470-K474 WeakPolarHBondContact O-CD 3.41Å; E470-K474 WeakPolarHBondContact O-CG 3.37Å; E470-K474 PolarHBondContact O-N 3.41Å; E470-K474 IonicContact OE1-NZ 3.27Å; E470-K474 IonicContact OE2-NZ 3.02Å; E470-K474 PolarHBondContact OE2-NZ 3.26Å
471Y68.3Low68.9Low160 Ų16099.2 Ų99.263%0.62752%0.515SS*.Hα-helixtrans-68.7-39-179.5-173.6-101.1000111.6S467 N468 K474 T475S467-Y471 WeakPolarHBondContact O-CB 3.27Å; S467-Y471 PolarHBondContact O-N 3.11Å; N468-Y471 PolarHBondContact O-N 3Å; Y471-K474 PolarHBondContact O-N 3.37Å; Y471-T475 HydrophobicContact CD1-CG2 4.34Å; Y471-T475 HydrophobicContact CE1-CG2 4Å; Y471-T475 HydrophobicContact CE2-CG2 4.34Å; Y471-T475 WeakPolarHBondContact O-CB 3.27Å; Y471-T475 WeakPolarHBondContact O-CG2 3.38Å; Y471-T475 PolarHBondContact O-N 3.48Å; Y471-T475 PolarHBondContact O-OG1 3.39Å
472E68.6Low69Low102 Ų10298.3 Ų98.348%0.47753%0.531SS..Hα-helixtrans-66.2-42.5173.1-168-176.7157.200111.5N468 T475 K476N468-E472 VanDerWaalsContact O-CB 3.25Å; N468-E472 WeakPolarHBondContact O-CB 3.26Å; N468-E472 PolarHBondContact O-N 2.97Å; E472-T475 WeakPolarHBondContact CA-OG1 3.1Å; E472-T475 PolarHBondContact O-OG1 3.13Å; E472-K476 HydrophobicContact CG-CD 4.36Å; E472-K476 WeakPolarHBondContact O-CB 3.18Å; E472-K476 VanDerWaalsContact O-CG 3.26Å; E472-K476 WeakPolarHBondContact O-CG 3.24Å; E472-K476 PolarHBondContact O-N 2.82Å; E472-K476 VanDerWaalsContact OE1-CE 3.25Å; E472-K476 WeakPolarHBondContact OE1-CE 3.37Å; E472-K476 IonicContact OE1-NZ 3.83Å; E472-K476 PolarHBondContact OE1-NZ 3Å
473A71.2Confident69.1Low48 Ų4895.8 Ų95.840%0.39753%0.527SS..Hα-helixtrans-64.5-42.8174.600000112.4A469 E470 K476 L477A469-A473 VanDerWaalsContact O-CB 3.27Å; A469-A473 WeakPolarHBondContact O-CB 3.46Å; A469-A473 PolarHBondContact O-N 3.08Å; E470-A473 PolarHBondContact O-N 3.45Å; A473-K476 PolarHBondContact O-N 3.34Å; A473-L477 WeakPolarHBondContact O-CB 3.4Å; A473-L477 WeakPolarHBondContact O-CG 3.42Å; A473-L477 PolarHBondContact O-N 2.58Å
474K76.5Confident69.1Low116 Ų11695.6 Ų95.650%0.50454%0.542SS..Hα-helixtrans-66.5-43178.5-74.3163-176168.80111.5E470 Y471 L477 E478E470-K474 HydrophobicContact CB-CD 4.49Å; E470-K474 VanDerWaalsContact O-CB 3.24Å; E470-K474 WeakPolarHBondContact O-CB 3.27Å; E470-K474 WeakPolarHBondContact O-CD 3.41Å; E470-K474 WeakPolarHBondContact O-CG 3.37Å; E470-K474 PolarHBondContact O-N 3.41Å; E470-K474 IonicContact OE1-NZ 3.27Å; E470-K474 IonicContact OE2-NZ 3.02Å; E470-K474 PolarHBondContact OE2-NZ 3.26Å; Y471-K474 PolarHBondContact O-N 3.37Å; K474-L477 PolarHBondContact O-N 3.33Å; K474-E478 VanDerWaalsContact O-CB 3.31Å; K474-E478 WeakPolarHBondContact O-CB 3.23Å; K474-E478 PolarHBondContact O-N 3.38Å
475T72.1Confident69.6Low51 Ų5198.7 Ų98.731%0.31356%0.558SS.*Hα-helixtrans-69.4-33.7176.149.80000113Y471 E472 S479Y471-T475 HydrophobicContact CD1-CG2 4.34Å; Y471-T475 HydrophobicContact CE1-CG2 4Å; Y471-T475 HydrophobicContact CE2-CG2 4.34Å; Y471-T475 WeakPolarHBondContact O-CB 3.27Å; Y471-T475 WeakPolarHBondContact O-CG2 3.38Å; Y471-T475 PolarHBondContact O-N 3.48Å; Y471-T475 PolarHBondContact O-OG1 3.39Å; E472-T475 WeakPolarHBondContact CA-OG1 3.1Å; E472-T475 PolarHBondContact O-OG1 3.13Å; T475-S479 WeakPolarHBondContact O-CB 3.38Å; T475-S479 PolarHBondContact O-N 2.85Å; T475-S479 PolarHBondContact O-OG 2.64Å
476K74.8Confident70.3Confident86 Ų8694.1 Ų94.137%0.37455%0.546SS..Hα-helixtrans-62.6-49.4169-76.1172.7-175.3171.20111.6E472 A473 E478 S479 L480E472-K476 HydrophobicContact CG-CD 4.36Å; E472-K476 WeakPolarHBondContact O-CB 3.18Å; E472-K476 VanDerWaalsContact O-CG 3.26Å; E472-K476 WeakPolarHBondContact O-CG 3.24Å; E472-K476 PolarHBondContact O-N 2.82Å; E472-K476 VanDerWaalsContact OE1-CE 3.25Å; E472-K476 WeakPolarHBondContact OE1-CE 3.37Å; E472-K476 IonicContact OE1-NZ 3.83Å; E472-K476 PolarHBondContact OE1-NZ 3Å; A473-K476 PolarHBondContact O-N 3.34Å; K476-E478 PolarHBondContact O-N 2.94Å; K476-S479 PolarHBondContact O-N 2.92Å; K476-S479 PolarHBondContact O-OG 3.08Å; K476-L480 WeakPolarHBondContact O-CB 3.5Å; K476-L480 WeakPolarHBondContact O-CG 3.09Å; K476-L480 PolarHBondContact O-N 2.84Å
477L74.4Confident71Confident101 Ų10191.7 Ų91.753%0.52954%0.542SS..Hα-helixtrans-61.6-40.7176.8-72.9169.4000112.6A473 K474 L480 S481 L491A473-L477 WeakPolarHBondContact O-CB 3.4Å; A473-L477 WeakPolarHBondContact O-CG 3.42Å; A473-L477 PolarHBondContact O-N 2.58Å; K474-L477 PolarHBondContact O-N 3.33Å; L477-L480 PolarHBondContact O-N 3.12Å; L477-S481 PolarHBondContact O-N 3.47Å; L477-L491 HydrophobicContact CD2-CD1 4.07Å
478E78.6Confident71.2Confident151 Ų15192 Ų9271%0.70654%0.544SS*.Hα-helixtrans-64.2-41.2176.2-171.9172.1-165.300111.6K474 K476 L480 S481K474-E478 VanDerWaalsContact O-CB 3.31Å; K474-E478 WeakPolarHBondContact O-CB 3.23Å; K474-E478 PolarHBondContact O-N 3.38Å; K476-E478 PolarHBondContact O-N 2.94Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 3.4Å; E478-S481 WeakPolarHBondContact O-CB 3.43Å; E478-S481 PolarHBondContact O-N 3.49Å
479S73.5Confident71.8Confident92 Ų9288.7 Ų88.764%0.64353%0.534SS*.Hα-helixtrans-66-31.3174.676.30000113.5T475 K476T475-S479 WeakPolarHBondContact O-CB 3.38Å; T475-S479 PolarHBondContact O-N 2.85Å; T475-S479 PolarHBondContact O-OG 2.64Å; K476-S479 PolarHBondContact O-N 2.92Å; K476-S479 PolarHBondContact O-OG 3.08Å
480L72.6Confident72.1Confident25 Ų2590.7 Ų90.713%0.13154%0.536CS..Hα-helixtrans-85.3-11.4178.7-69.3170000113.3K476 L477 E478 G482 S483 I486 L491K476-L480 WeakPolarHBondContact O-CB 3.5Å; K476-L480 WeakPolarHBondContact O-CG 3.09Å; K476-L480 PolarHBondContact O-N 2.84Å; L477-L480 PolarHBondContact O-N 3.12Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 3.4Å; L480-G482 PolarHBondContact O-N 3.05Å; L480-S483 WeakPolarHBondContact CA-OG 3.21Å; L480-S483 WeakPolarHBondContact O-CB 3.43Å; L480-S483 PolarHBondContact O-N 3.34Å; L480-S483 PolarHBondContact O-OG 3.36Å; L480-I486 HydrophobicContact CB-CD1 3.96Å; L480-I486 HydrophobicContact CB-CG1 4.4Å; L480-I486 HydrophobicContact CD1-CG2 4.03Å; L480-I486 HydrophobicContact CD2-CG1 4.42Å; L480-I486 HydrophobicContact CD2-CG2 4.32Å; L480-L491 HydrophobicContact CD1-CD1 4.26Å
481S77.9Confident72.2Confident106 Ų10688.8 Ų88.874%0.74153%0.529SS*.THydrogen-bonded Turntrans-64.6-7.7-175.7-171.10000115.3L477 E478L477-S481 PolarHBondContact O-N 3.47Å; E478-S481 WeakPolarHBondContact O-CB 3.43Å; E478-S481 PolarHBondContact O-N 3.49Å
482G75.9Confident72.5Confident79 Ų7988.8 Ų88.881%0.81453%0.532SS*.THydrogen-bonded Turntrans-102.6-0.4173.200000114.9L480L480-G482 PolarHBondContact O-N 3.05Å
483S75.5Confident72Confident53 Ų5386.5 Ų86.537%0.37154%0.536SS..  trans-89.3126.8-173.2-25.40000111L480 S485L480-S483 WeakPolarHBondContact CA-OG 3.21Å; L480-S483 WeakPolarHBondContact O-CB 3.43Å; L480-S483 PolarHBondContact O-N 3.34Å; L480-S483 PolarHBondContact O-OG 3.36Å; S483-S485 VanDerWaalsContact CB-O 3.28Å; S483-S485 WeakPolarHBondContact CB-O 3.33Å; S483-S485 PolarHBondContact O-N 2.91Å
484S76Confident70.8Confident133 Ų13390 Ų9093%0.9355%0.548SS*.SBendtrans-75.7-10.4174.453.30000113.8
485S73.4Confident69.5Low102 Ų10288.4 Ų88.471%0.71356%0.564SS**SBendtrans-148.7145.5168.5580000109.2S483S483-S485 VanDerWaalsContact CB-O 3.28Å; S483-S485 WeakPolarHBondContact CB-O 3.33Å; S483-S485 PolarHBondContact O-N 2.91Å
486I71.5Confident68.1Low85 Ų8589 Ų8944%0.43657%0.571SS.*  trans-127.4126.7-179.9-61.6171.7000107.1L480 L491L480-I486 HydrophobicContact CB-CD1 3.96Å; L480-I486 HydrophobicContact CB-CG1 4.4Å; L480-I486 HydrophobicContact CD1-CG2 4.03Å; L480-I486 HydrophobicContact CD2-CG1 4.42Å; L480-I486 HydrophobicContact CD2-CG2 4.32Å; I486-L491 HydrophobicContact CG2-CB 4.21Å
487S67.8Low66.6Low65 Ų6592.4 Ų92.446%0.45559%0.593SS.*  trans-80.8148.6173.7-166.30000110.9A489 D490 L491S487-A489 PolarHBondContact O-N 3.13Å; S487-D490 WeakPolarHBondContact CB-OD2 3.5Å; S487-D490 PolarHBondContact N-OD2 3.09Å; S487-D490 PolarHBondContact O-N 3.49Å; S487-D490 VanDerWaalsContact O-N 3.1Å; S487-L491 PolarHBondContact O-N 3.33Å
488S62Low64.7Low84 Ų8492 Ų9259%0.58760%0.599SS**Hα-helixtrans-59.8-31.9174.4-168.50000111.8L491 F492S488-L491 PolarHBondContact O-N 2.95Å; S488-F492 WeakPolarHBondContact O-CD2 3.46Å; S488-F492 PolarHBondContact O-N 3.28Å
489A68.7Low62.8Low54 Ų5496.6 Ų96.645%0.44661%0.609SS.*Hα-helixtrans-65.1-37.9175.100000113.1S487 G493S487-A489 PolarHBondContact O-N 3.13Å; A489-G493 VanDerWaalsContact O-CA 3.27Å; A489-G493 WeakPolarHBondContact O-CA 3.33Å; A489-G493 PolarHBondContact O-N 3.35Å
490D69.4Low60.9Low106 Ų10695.4 Ų95.457%0.56761%0.612SS**Hα-helixtrans-73.2-32.8179.4-54.8-47.7000111.9S487S487-D490 WeakPolarHBondContact CB-OD2 3.5Å; S487-D490 PolarHBondContact N-OD2 3.09Å; S487-D490 PolarHBondContact O-N 3.49Å; S487-D490 VanDerWaalsContact O-N 3.1Å
491L68.6Low59.2Low66 Ų66105.3 Ų105.335%0.34665%0.648SS.*Hα-helixtrans-79.6-39.2-178.7-175.859.3000113L477 L480 I486 S487 S488L477-L491 HydrophobicContact CD2-CD1 4.07Å; L480-L491 HydrophobicContact CD1-CD1 4.26Å; I486-L491 HydrophobicContact CG2-CB 4.21Å; S487-L491 PolarHBondContact O-N 3.33Å; S488-L491 PolarHBondContact O-N 2.95Å
492F73.2Confident57.3Low159 Ų159107.3 Ų107.370%0.69766%0.655SS**Hα-helixtrans-109.8-21.7-173.1-63.3-69.2000115S488S488-F492 WeakPolarHBondContact O-CD2 3.46Å; S488-F492 PolarHBondContact O-N 3.28Å
493G59.3Low55.6Low54 Ų54108.6 Ų108.656%0.55765%0.651SS**  trans66.385.9-179.900000113.2A489 G495A489-G493 VanDerWaalsContact O-CA 3.27Å; A489-G493 WeakPolarHBondContact O-CA 3.33Å; A489-G493 PolarHBondContact O-N 3.35Å; G493-G495 PolarHBondContact O-N 3.12Å
494D45.4Very low53.5Low123 Ų123109.6 Ų109.666%0.65867%0.67SS**  trans-66.1121.8179.5-178.130.3000112.2S496D494-S496 VanDerWaalsContact C-N 3.31Å; D494-S496 PolarHBondContact O-N 3.34Å; D494-S496 PolarHBondContact OD1-N 3.1Å; D494-S496 VanDerWaalsContact OD2-CB 3.31Å; D494-S496 WeakPolarHBondContact OD2-CB 3.47Å; D494-S496 PolarHBondContact OD2-OG 3.35Å
495G49.9Very low51.8Low81 Ų81111.7 Ų111.784%0.83567%0.67SS**  trans-90.133.3179.500000113.9G493G493-G495 PolarHBondContact O-N 3.12Å
496S41.6Very low49.9Very low65 Ų65114.4 Ų114.446%0.45568%0.677SS.*  trans-99.293.5-174.8830000113.7D494 S498D494-S496 VanDerWaalsContact C-N 3.31Å; D494-S496 PolarHBondContact O-N 3.34Å; D494-S496 PolarHBondContact OD1-N 3.1Å; D494-S496 VanDerWaalsContact OD2-CB 3.31Å; D494-S496 WeakPolarHBondContact OD2-CB 3.47Å; D494-S496 PolarHBondContact OD2-OG 3.35Å; S496-S498 VanDerWaalsContact C-N 3.25Å; S496-S498 PolarHBondContact O-N 3.46Å
497D43.4Very low48.5Very low156 Ų156114.9 Ų114.983%0.83469%0.687SS**  trans-7674.9172.5-156.9-11.7000110.3
498S35.2Very low47.1Very low93 Ų93117.7 Ų117.765%0.6570%0.701SS**  trans-119.2100.8-173.669.10000113.8S496 G500S496-S498 VanDerWaalsContact C-N 3.25Å; S496-S498 PolarHBondContact O-N 3.46Å; S498-G500 PolarHBondContact O-N 3.32Å
499R38.3Very low46Very low247 Ų247121.1 Ų121.193%0.93271%0.712SS**  trans-80.197.4174.6-66.6175.8175.8172.4-2.9110.4
500G33.4Very low45.1Very low68 Ų68123.9 Ų123.970%0.70173%0.726SS**  trans-131.6-4-161.200000121.3S498S498-G500 PolarHBondContact O-N 3.32Å
501R37.4Very low43.6Very low233 Ų233124.2 Ų124.288%0.87974%0.737SS**  trans54.9103.4167.6-168.2-167-160.8-171.67.4118.5
502V36.6Very low42.6Very low147 Ų147124.4 Ų124.489%0.89176%0.755SS**  trans-127.8148.3148.7171.60000108.6
503S41Very low41.7Very low106 Ų106123.1 Ų123.174%0.74176%0.762SS**  trans-101.2143.3-177.3-61.50000112.4
504G31.9Very low41.5Very low74 Ų74124.6 Ų124.676%0.76376%0.757SS**  trans-161.7137.9168.600000109.5
505L40.6Very low41.9Very low177 Ų177124.5 Ų124.593%0.92775%0.754SS**  trans-89137.7178.1-71.172.9000109.4
506D32.4Very low42.3Very low160 Ų160123 Ų12386%0.85673%0.734SS**  -151.6158.5123.9-165.3-125.8000110.4
507S41.6Very low43Very low94 Ų94126.3 Ų126.366%0.65774%0.742SS**  trans-155.6150.718067.20000112.3
508V38.8Very low43.4Very low124 Ų124125.7 Ų125.775%0.75273%0.733SS**  trans80.295.7175.9-169.60000115.1
509L39.5Very low44.5Very low156 Ų156127.7 Ų127.782%0.81773%0.73SS**  -158138.1119.8-95.5-175.7000109.9
510P48.8Very low45.4Very low113 Ų113122.2 Ų122.273%0.73472%0.715SS**  trans-87.2129.8173.933.3-31.5000111
511S39.7Very low46.4Very low113 Ų113120.8 Ų120.879%0.7970%0.699SS**  trans-152.5119.1179.9-77.10000113.8
512G47.8Very low47.2Very low70 Ų70113.5 Ų113.572%0.72268%0.681SS**  trans69.3121.7150.400000119.1
513P54Low48.3Very low132 Ų132114.6 Ų114.686%0.85767%0.674SS**  trans-61.7133.9160.4-19.532.9000111.2M515P513-M515 PolarHBondContact O-N 3.5Å; P513-M515 VanDerWaalsContact O-N 3.13Å
514D54.1Low49.1Very low84 Ų84113.6 Ų113.645%0.44966%0.663SS.*  trans-68.8108.6-174.8177.320.4000113.1A516 Q517D514-A516 PolarHBondContact O-N 3.42Å; D514-A516 WeakPolarHBondContact OD1-CB 3.41Å; D514-A516 PolarHBondContact OD1-N 2.88Å; D514-Q517 VanDerWaalsContact OD2-CG 3.26Å; D514-Q517 WeakPolarHBondContact OD2-CG 3.42Å; D514-Q517 PolarHBondContact OD2-N 2.98Å; D514-Q517 PolarHBondContact OD2-NE2 3.32Å
515M55.1Low50.2Low121 Ų121114.4 Ų114.460%0.59665%0.653SS**Hα-helixtrans-68.4-18.2177.2-169.163.363.900113.2P513 K519P513-M515 PolarHBondContact O-N 3.5Å; P513-M515 VanDerWaalsContact O-N 3.13Å; M515-K519 WeakPolarHBondContact O-CG 3.45Å; M515-K519 PolarHBondContact O-N 3.34Å
516A56.4Low50.9Low50 Ų50108.9 Ų108.941%0.41363%0.633SS.*Hα-helixtrans-74.1-46.8178.200000111.7D514 F518 K519 Q520D514-A516 PolarHBondContact O-N 3.42Å; D514-A516 WeakPolarHBondContact OD1-CB 3.41Å; D514-A516 PolarHBondContact OD1-N 2.88Å; A516-F518 VanDerWaalsContact C-N 3.3Å; A516-F518 PolarHBondContact O-N 3.42Å; A516-K519 PolarHBondContact O-N 3.47Å; A516-K519 VanDerWaalsContact O-N 3.12Å; A516-Q520 PolarHBondContact O-N 2.95Å
517Q57Low51.9Low134 Ų134103.1 Ų103.163%0.62661%0.612SS**Hα-helixtrans-56.6-41.2175.5-83.1169.562.200112.7D514 K519 Q520 G521D514-Q517 VanDerWaalsContact OD2-CG 3.26Å; D514-Q517 WeakPolarHBondContact OD2-CG 3.42Å; D514-Q517 PolarHBondContact OD2-N 2.98Å; D514-Q517 PolarHBondContact OD2-NE2 3.32Å; Q517-K519 PolarHBondContact O-N 2.92Å; Q517-Q520 PolarHBondContact O-N 2.91Å; Q517-G521 PolarHBondContact O-N 2.95Å
518F52.3Low52.6Low144 Ų144105.9 Ų105.963%0.63261%0.611SS**Hα-helixtrans-61.8-44.8175.5-173.7-103.4000112.2A516 Q520 G521 V522A516-F518 VanDerWaalsContact C-N 3.3Å; A516-F518 PolarHBondContact O-N 3.42Å; F518-Q520 PolarHBondContact O-N 2.89Å; F518-G521 PolarHBondContact O-N 3.45Å; F518-V522 HydrophobicContact CD1-CG2 4.4Å; F518-V522 HydrophobicContact CE1-CG2 4.01Å; F518-V522 HydrophobicContact CE2-CG2 4.41Å; F518-V522 HydrophobicContact CZ-CG2 4.02Å; F518-V522 WeakPolarHBondContact O-CG2 3.31Å; F518-V522 PolarHBondContact O-N 3.19Å
519K57.6Low53.2Low135 Ų135106.5 Ų106.559%0.58761%0.608SS**Hα-helixtrans-66.9-34178.8-72.6175.8179.4178.10113M515 A516 Q517 K523M515-K519 WeakPolarHBondContact O-CG 3.45Å; M515-K519 PolarHBondContact O-N 3.34Å; A516-K519 PolarHBondContact O-N 3.47Å; A516-K519 VanDerWaalsContact O-N 3.12Å; Q517-K519 PolarHBondContact O-N 2.92Å; K519-K523 PolarHBondContact O-N 3.14Å
520Q58.2Low53.9Low132 Ų132101.8 Ų101.862%0.61759%0.591SS**Hα-helixtrans-69.4-45.3172.3-72.8-177.6-15.200111.4A516 Q517 F518 V522 K523 T524A516-Q520 PolarHBondContact O-N 2.95Å; Q517-Q520 PolarHBondContact O-N 2.91Å; F518-Q520 PolarHBondContact O-N 2.89Å; Q520-V522 PolarHBondContact O-N 2.95Å; Q520-K523 PolarHBondContact O-N 3.44Å; Q520-T524 PolarHBondContact O-N 3.37Å; Q520-T524 PolarHBondContact O-OG1 3.32Å; Q520-T524 VanDerWaalsContact O-OG1 3.07Å
521G54.3Low54.4Low37 Ų37101.8 Ų101.838%0.38159%0.589SS.*Hα-helixtrans-55.7-48.2176.800000113.2Q517 F518 K523 T524 V525Q517-G521 PolarHBondContact O-N 2.95Å; F518-G521 PolarHBondContact O-N 3.45Å; G521-K523 PolarHBondContact O-N 3.19Å; G521-T524 PolarHBondContact O-N 2.95Å; G521-V525 WeakPolarHBondContact O-CG2 3.28Å; G521-V525 PolarHBondContact O-N 2.89Å
522V54.5Low55.1Low80 Ų80102.6 Ų102.649%0.48558%0.584SS.*Hα-helixtrans-62.1-42178.3174.50000111.9F518 Q520 V525 A526F518-V522 HydrophobicContact CD1-CG2 4.4Å; F518-V522 HydrophobicContact CE1-CG2 4.01Å; F518-V522 HydrophobicContact CE2-CG2 4.41Å; F518-V522 HydrophobicContact CZ-CG2 4.02Å; F518-V522 WeakPolarHBondContact O-CG2 3.31Å; F518-V522 PolarHBondContact O-N 3.19Å; Q520-V522 PolarHBondContact O-N 2.95Å; V522-V525 PolarHBondContact O-N 3.47Å; V522-A526 WeakPolarHBondContact O-CB 3.36Å; V522-A526 PolarHBondContact O-N 2.73Å
523K58.5Low55.4Low171 Ų171102 Ų10274%0.74357%0.573SS**Hα-helixtrans-62.3-42.2174.6-79.2-174172.8-173.90112.3K519 Q520 G521 A526 G527K519-K523 PolarHBondContact O-N 3.14Å; Q520-K523 PolarHBondContact O-N 3.44Å; G521-K523 PolarHBondContact O-N 3.19Å; K523-A526 PolarHBondContact O-N 3.06Å; K523-G527 PolarHBondContact O-N 2.89Å; K523-G527 VanDerWaalsContact O-N 3.09Å
524T58.4Low55.5Low84 Ų84101.2 Ų101.252%0.51556%0.561SS.*Hα-helixtrans-66-36.7179.4-57.10000112.7Q520 G521 K528Q520-T524 PolarHBondContact O-N 3.37Å; Q520-T524 PolarHBondContact O-OG1 3.32Å; Q520-T524 VanDerWaalsContact O-OG1 3.07Å; G521-T524 PolarHBondContact O-N 2.95Å; T524-K528 PolarHBondContact O-N 3.06Å
525V54.3Low55.6Low91 Ų9199.2 Ų99.255%0.55256%0.56SS**Hα-helixtrans-71.1-43.9175.9174.80000111.3G521 V522 G527 K528 M529G521-V525 WeakPolarHBondContact O-CG2 3.28Å; G521-V525 PolarHBondContact O-N 2.89Å; V522-V525 PolarHBondContact O-N 3.47Å; V525-G527 PolarHBondContact O-N 3.15Å; V525-K528 PolarHBondContact O-N 3.25Å; V525-K528 VanDerWaalsContact O-N 3.16Å; V525-M529 PolarHBondContact O-N 3.45Å
526A54.9Low55.8Low61 Ų6197.5 Ų97.550%0.50456%0.557SS.*Hα-helixtrans-58.7-44.5177.700000112.3V522 K523 K528 M529 A530V522-A526 WeakPolarHBondContact O-CB 3.36Å; V522-A526 PolarHBondContact O-N 2.73Å; K523-A526 PolarHBondContact O-N 3.06Å; A526-K528 VanDerWaalsContact C-N 3.31Å; A526-K528 PolarHBondContact O-N 3.03Å; A526-M529 PolarHBondContact O-N 3.23Å; A526-A530 PolarHBondContact O-N 2.93Å; A526-A530 VanDerWaalsContact O-N 3.12Å
527G53.7Low55.7Low40 Ų40100.9 Ų100.941%0.41257%0.565SS.*Hα-helixtrans-60.1-37.5176.200000113.5K523 V525 A530 V531K523-G527 PolarHBondContact O-N 2.89Å; K523-G527 VanDerWaalsContact O-N 3.09Å; V525-G527 PolarHBondContact O-N 3.15Å; G527-A530 PolarHBondContact O-N 3.36Å; G527-V531 PolarHBondContact O-N 3.24Å
528K56.1Low55.7Low151 Ų15199.3 Ų99.366%0.65756%0.561SS**Hα-helixtrans-71.5-31.8178.9-74.2-179.5176.3-177.50113.4T524 V525 A526T524-K528 PolarHBondContact O-N 3.06Å; V525-K528 PolarHBondContact O-N 3.25Å; V525-K528 VanDerWaalsContact O-N 3.16Å; A526-K528 VanDerWaalsContact C-N 3.31Å; A526-K528 PolarHBondContact O-N 3.03Å
529M51.7Low56Low137 Ų13796.2 Ų96.268%0.67555%0.554SS**Hα-helixtrans-74-36.6173-77-169.9165.600112.9V525 A526 V531 L532 A533V525-M529 PolarHBondContact O-N 3.45Å; A526-M529 PolarHBondContact O-N 3.23Å; M529-V531 VanDerWaalsContact C-N 3.32Å; M529-V531 PolarHBondContact O-N 2.83Å; M529-L532 PolarHBondContact O-N 3.45Å; M529-A533 PolarHBondContact O-N 3.1Å; M529-A533 VanDerWaalsContact O-N 3.08Å
530A55.7Low55.9Low57 Ų5794.4 Ų94.447%0.47155%0.55SS..Hα-helixtrans-60.4-38.717900000113.1A526 G527 A533 N534A526-A530 PolarHBondContact O-N 2.93Å; A526-A530 VanDerWaalsContact O-N 3.12Å; G527-A530 PolarHBondContact O-N 3.36Å; A530-A533 PolarHBondContact O-N 3.36Å; A530-N534 PolarHBondContact O-N 3.49Å
531V58Low55.9Low114 Ų11494.3 Ų94.369%0.69155%0.55SS*.Hα-helixtrans-65.8-38.6177.2175.20000111.9G527 M529 G535G527-V531 PolarHBondContact O-N 3.24Å; M529-V531 VanDerWaalsContact C-N 3.32Å; M529-V531 PolarHBondContact O-N 2.83Å; V531-G535 PolarHBondContact O-N 2.95Å
532L55.4Low56Low129 Ų12999.7 Ų99.768%0.67557%0.57SS**Hα-helixtrans-69.6-38.4177.6-77.7164.1000112.4M529 G535 V536M529-L532 PolarHBondContact O-N 3.45Å; L532-G535 PolarHBondContact O-N 2.85Å; L532-V536 PolarHBondContact O-N 3.44Å
533A53.8Low56.1Low59 Ų59105.3 Ų105.349%0.48858%0.582SS.*Hα-helixtrans-62.2-46.9179.300000112.6M529 A530 G535 V536 M537M529-A533 PolarHBondContact O-N 3.1Å; M529-A533 VanDerWaalsContact O-N 3.08Å; A530-A533 PolarHBondContact O-N 3.36Å; A533-G535 VanDerWaalsContact C-N 3.33Å; A533-G535 PolarHBondContact O-N 3.27Å; A533-V536 PolarHBondContact O-N 2.97Å; A533-M537 PolarHBondContact O-N 3.37Å; A533-M537 VanDerWaalsContact O-N 3.08Å
534N54.7Low56.1Low114 Ų114106.8 Ų106.861%0.6158%0.584SS**Hα-helixtrans-65.6-32.6179.3-82.6-13000113.2A530 V536 M537 N538A530-N534 PolarHBondContact O-N 3.49Å; N534-V536 VanDerWaalsContact C-N 3.34Å; N534-V536 PolarHBondContact O-N 3.42Å; N534-M537 PolarHBondContact O-N 3.01Å; N534-N538 PolarHBondContact O-N 2.75Å
535G57.5Low56.1Low42 Ų42106.2 Ų106.243%0.43360%0.595SS.*Hα-helixtrans-64-37.8175.600000113.3V531 L532 A533 T539V531-G535 PolarHBondContact O-N 2.95Å; L532-G535 PolarHBondContact O-N 2.85Å; A533-G535 VanDerWaalsContact C-N 3.33Å; A533-G535 PolarHBondContact O-N 3.27Å; G535-T539 PolarHBondContact O-N 3.42Å; G535-T539 PolarHBondContact O-OG1 3.39Å
536V58.2Low56Low86 Ų86106.8 Ų106.852%0.52160%0.603SS.*Hα-helixtrans-75.6-39177.6178.20000111.6L532 A533 N534 N538 T539 I540L532-V536 PolarHBondContact O-N 3.44Å; A533-V536 PolarHBondContact O-N 2.97Å; N534-V536 VanDerWaalsContact C-N 3.34Å; N534-V536 PolarHBondContact O-N 3.42Å; V536-N538 PolarHBondContact O-N 3.25Å; V536-T539 PolarHBondContact O-N 3.48Å; V536-T539 PolarHBondContact O-OG1 2.75Å; V536-I540 HydrophobicContact CG1-CD1 3.87Å; V536-I540 WeakPolarHBondContact O-CG1 3.42Å; V536-I540 PolarHBondContact O-N 3.31Å
537M55.8Low55.5Low120 Ų120118.7 Ų118.759%0.59164%0.637SS**Hα-helixtrans-59.1-48.1179.8-161.371.4-175.400111.8A533 N534 T539 I540 Q541A533-M537 PolarHBondContact O-N 3.37Å; A533-M537 VanDerWaalsContact O-N 3.08Å; N534-M537 PolarHBondContact O-N 3.01Å; M537-T539 PolarHBondContact O-N 3.38Å; M537-I540 PolarHBondContact O-N 2.62Å; M537-Q541 PolarHBondContact O-N 3.33Å
538N56.4Low55.6Low101 Ų101122.6 Ų122.654%0.5465%0.648SS.*Hα-helixtrans-65.2-39179.7-70.1-13.4000112.6N534 V536 I540 Q541 D542N534-N538 PolarHBondContact O-N 2.75Å; V536-N538 PolarHBondContact O-N 3.25Å; N538-I540 PolarHBondContact O-N 3.01Å; N538-Q541 PolarHBondContact O-N 3Å; N538-D542 PolarHBondContact O-N 2.77Å
539T57.8Low55.6Low80 Ų80121.1 Ų121.149%0.49165%0.648SS.*Hα-helixtrans-75-9.8179.542.40000114.7G535 V536 M537G535-T539 PolarHBondContact O-N 3.42Å; G535-T539 PolarHBondContact O-OG1 3.39Å; V536-T539 PolarHBondContact O-N 3.48Å; V536-T539 PolarHBondContact O-OG1 2.75Å; M537-T539 PolarHBondContact O-N 3.38Å
540I56.7Low55.8Low96 Ų96120.2 Ų120.249%0.49265%0.646SS.*Hα-helixtrans-88.4-43.3166.4-67.4170.4000110.1V536 M537 N538 R543 Y544V536-I540 HydrophobicContact CG1-CD1 3.87Å; V536-I540 WeakPolarHBondContact O-CG1 3.42Å; V536-I540 PolarHBondContact O-N 3.31Å; M537-I540 PolarHBondContact O-N 2.62Å; N538-I540 PolarHBondContact O-N 3.01Å; I540-R543 PolarHBondContact O-N 3.09Å; I540-R543 VanDerWaalsContact O-N 3.09Å; I540-Y544 PolarHBondContact O-N 2.98Å
541Q57.4Low55.8Low131 Ų131123.9 Ų123.961%0.61266%0.657SS**Hα-helixtrans-64.8-42.1-177-166.6162.7-11.500112.6M537 N538 R543 Y544 G545M537-Q541 PolarHBondContact O-N 3.33Å; N538-Q541 PolarHBondContact O-N 3Å; Q541-R543 PolarHBondContact O-N 3.36Å; Q541-Y544 PolarHBondContact O-N 3.03Å; Q541-G545 PolarHBondContact O-N 3.08Å; Q541-G545 VanDerWaalsContact O-N 3.12Å
542D55.7Low55.7Low150 Ų150124.6 Ų124.680%0.80265%0.654SS**Hα-helixtrans-62.5-22.6172.9-92.3-19.3000113.6N538N538-D542 PolarHBondContact O-N 2.77Å
543R57.1Low55.7Low198 Ų198124.3 Ų124.375%0.74765%0.653SS**Hα-helixtrans-97.7-6.2-173.7-142.5-169.2-59.4-162.41114.7I540 Q541I540-R543 PolarHBondContact O-N 3.09Å; I540-R543 VanDerWaalsContact O-N 3.09Å; Q541-R543 PolarHBondContact O-N 3.36Å
544Y59.3Low55.8Low202 Ų202128.9 Ų128.979%0.79267%0.665SS**Hα-helixtrans-129.7-3.4177.8-78.4-82.9000114I540 Q541 S546I540-Y544 PolarHBondContact O-N 2.98Å; Q541-Y544 PolarHBondContact O-N 3.03Å; Y544-S546 VanDerWaalsContact C-N 3.28Å; Y544-S546 PolarHBondContact O-N 3.12Å
545G56.8Low55.9Low71 Ų71130.1 Ų130.173%0.73267%0.669SS**SBendtrans-80.719.1-177.700000116.8Q541Q541-G545 PolarHBondContact O-N 3.08Å; Q541-G545 VanDerWaalsContact O-N 3.12Å
546S53.2Low55.8Low104 Ų104137.4 Ų137.473%0.72769%0.689SS**  trans-143.569.1-175.7-160.50000113.3Y544Y544-S546 VanDerWaalsContact C-N 3.28Å; Y544-S546 PolarHBondContact O-N 3.12Å
547Y45Very low55.6Low310 Ų310142.1 Ų142.1100%1.21670%0.704SS**  trans-154.40153.7-97.4-66.3000109.9

Retrieved 547 of 547 residues in 491.6 ms (Link to these results)

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