A0A077Z3H8_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3H8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 537 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low55.3Low256 Ų256115.5 Ų115.5100%1.26163%0.629SS**  0103.10-67.9176.6-163.900106.3
2G35Very low58.4Low73 Ų73113.4 Ų113.475%0.75363%0.625SS**  trans-110.8137.9-177.100000110.3
3E30Very low61.2Low205 Ų205117.5 Ų117.596%0.95863%0.633SS**PPolyproline II helixtrans-52.2132.2-177.5-73.1171.2136.100112.4S5E3-S5 PolarHBondContact O-N 3.45Å
4K32.8Very low63.6Low205 Ų205113.8 Ų113.889%0.89161%0.609SS**PPolyproline II helixtrans-69.3116.4175.2-71176.9178.2174.60109.2A6K4-A6 PolarHBondContact O-N 3.42Å
5S40Very low65.8Low64 Ų64111 Ų11145%0.44860%0.598SS.*PPolyproline II helixtrans-60.4122165.1170.20000109.3E3 H7E3-S5 PolarHBondContact O-N 3.45Å; S5-H7 PolarHBondContact O-N 2.99Å
6A48.9Very low67.7Low95 Ų95104.2 Ų104.279%0.78556%0.561SS**THydrogen-bonded Turntrans-6712.1179.700000114.1K4K4-A6 PolarHBondContact O-N 3.42Å
7H58.4Low69.3Low136 Ų136103.4 Ų103.463%0.6356%0.557SS**THydrogen-bonded Turntrans-122.6-0.9-171.1-60.7-35.9000114.6S5 I9S5-H7 PolarHBondContact O-N 2.99Å; H7-I9 PolarHBondContact O-N 3.02Å
8S66.2Low70.8Confident52 Ų52100.5 Ų100.536%0.36454%0.541SS..  trans-66.2126.8179.1-163.90000111.6L10 E24 Y34S8-L10 PolarHBondContact OG-O 2.83Å; S8-E24 PolarHBondContact OG-OE2 3.03Å; S8-Y34 PolarHBondContact OG-OH 2.99Å
9I83.2Confident72.2Confident30 Ų3096.4 Ų96.415%0.15452%0.517CS..SBendtrans-75.2-45.3176.3-54175.3000110.2H7 A32 Y34 V49 K51 Y91H7-I9 PolarHBondContact O-N 3.02Å; I9-A32 HydrophobicContact CD1-CB 4.21Å; I9-Y34 PolarHBondContact N-OH 2.78Å; I9-V49 HydrophobicContact CB-CG1 4.34Å; I9-V49 HydrophobicContact CD1-CB 4.16Å; I9-V49 HydrophobicContact CD1-CG1 3.91Å; I9-V49 HydrophobicContact CG2-CG1 3.75Å; I9-K51 HydrophobicContact CD1-CG 3.79Å; I9-K51 HydrophobicContact CG1-CD 4.46Å; I9-K51 HydrophobicContact CG1-CG 4.05Å; I9-Y91 HydrophobicContact CG2-CD1 4.06Å; I9-Y91 HydrophobicContact CG2-CG 4.4Å
10L91.3Very high73.5Confident1 Ų195.1 Ų95.11%0.00551%0.508CS..SBendtrans-114.6155.8-178.7-56.8178.9000111.2S8 E14 V16 V21 Y34 M47 V49 Y91S8-L10 PolarHBondContact OG-O 2.83Å; L10-E14 WeakPolarHBondContact CD2-OE1 3.46Å; L10-V16 HydrophobicContact CD1-CG2 3.82Å; L10-V16 HydrophobicContact CD2-CG2 4.07Å; L10-V21 HydrophobicContact CB-CG2 4.08Å; L10-V21 HydrophobicContact CD1-CG2 3.92Å; L10-Y34 HydrophobicContact CB-CE1 4.22Å; L10-Y34 HydrophobicContact CB-CE2 4.11Å; L10-Y34 HydrophobicContact CD1-CD2 4.03Å; L10-Y34 HydrophobicContact CD1-CE2 4.12Å; L10-Y34 HydrophobicContact CG-CD2 4.48Å; L10-Y34 HydrophobicContact CG-CE2 4.08Å; L10-Y34 PolarHBondContact N-OH 3.42Å; L10-Y34 VanDerWaalsContact N-OH 3.15Å; L10-M47 HydrophobicContact CD1-SD 3.76Å; L10-V49 HydrophobicContact CD1-CG2 3.78Å; L10-V49 HydrophobicContact CG-CG2 4.45Å; L10-Y91 HydrophobicContact CD2-CE1 3.77Å; L10-Y91 HydrophobicContact CD2-CE2 4.41Å; L10-Y91 WeakPolarHBondContact CD2-OH 3.45Å
11K91.8Very high74.7Confident154 Ų15490.6 Ų90.667%0.6748%0.484SS*.  trans-103.6149.8177.9-64.8173.9-173.8168.60111.4K13 E14 V21K11-K13 PolarHBondContact O-N 3.17Å; K11-E14 HydrophobicContact CB-CB 4.48Å; K11-E14 PolarHBondContact N-OE2 2.9Å; K11-E14 WeakPolarHBondContact O-CB 3.15Å; K11-E14 PolarHBondContact O-N 3.01Å; K11-V21 WeakPolarHBondContact O-CB 3.19Å
12P92.5Very high77.8Confident90 Ų9081 Ų8158%0.58444%0.44SS*.THydrogen-bonded Turntrans-52.7139.1167.8-25.434.7000111.4E14P12-E14 PolarHBondContact O-N 3.25Å
13K94.3Very high80.7Confident166 Ų16683.4 Ų83.472%0.72243%0.426SS*.THydrogen-bonded Turntrans68.32.9-172.5-52-176.8175.7-174.40116.1K11 V21K11-K13 PolarHBondContact O-N 3.17Å; K13-V21 PolarHBondContact N-O 2.81Å
14E95.7Very high83.6Confident66 Ų6676.5 Ų76.531%0.30839%0.394SS..  trans-68.6136.3170.1-170.2174.3155.700109.9L10 K11 P12 E20 V21L10-E14 WeakPolarHBondContact CD2-OE1 3.46Å; K11-E14 HydrophobicContact CB-CB 4.48Å; K11-E14 PolarHBondContact N-OE2 2.9Å; K11-E14 WeakPolarHBondContact O-CB 3.15Å; K11-E14 PolarHBondContact O-N 3.01Å; P12-E14 PolarHBondContact O-N 3.25Å; E14-E20 WeakPolarHBondContact O-CA 3.48Å; E14-V21 HydrophobicContact CB-CG2 4.47Å; E14-V21 WeakPolarHBondContact O-CG2 3.46Å; E14-V21 PolarHBondContact O-N 3.25Å
15V96.3Very high86.2Confident72 Ų7270 Ų7044%0.43637%0.368SS..EExtended strand (participates in β ladder)trans-103.6117.9178.5-179.50000109.3D17 W19 E20 L39V15-D17 WeakPolarHBondContact CG1-O 3.46Å; V15-W19 CarbonylContact C-O 3.52Å; V15-W19 WeakPolarHBondContact CA-O 3.18Å; V15-E20 HydrophobicContact CG2-CB 4.19Å; V15-E20 HydrophobicContact CG2-CG 4.25Å; V15-L39 HydrophobicContact CG1-CD1 3.74Å; V15-L39 HydrophobicContact CG2-CD1 4.16Å
16V95.7Very high88.1Confident2 Ų268.3 Ų68.31%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-105.2105.9172.4-175.70000107.8L10 N18 W19 M47 Y91 Y93L10-V16 HydrophobicContact CD1-CG2 3.82Å; L10-V16 HydrophobicContact CD2-CG2 4.07Å; V16-N18 PolarHBondContact O-N 3.44Å; V16-W19 PolarHBondContact N-O 3.21Å; V16-W19 PolarHBondContact O-N 2.82Å; V16-M47 HydrophobicContact CB-CE 3.85Å; V16-M47 HydrophobicContact CB-SD 4.19Å; V16-M47 HydrophobicContact CG1-CE 4.2Å; V16-M47 HydrophobicContact CG1-SD 4.4Å; V16-M47 HydrophobicContact CG2-CE 4.45Å; V16-M47 HydrophobicContact CG2-SD 4.22Å; V16-Y91 HydrophobicContact CG1-CE2 4.33Å; V16-Y91 WeakPolarHBondContact CG2-OH 3.33Å; V16-Y93 HydrophobicContact CG1-CD1 3.94Å; V16-Y93 HydrophobicContact CG1-CE1 3.76Å; V16-Y93 HydrophobicContact CG1-CE2 4.46Å; V16-Y93 HydrophobicContact CG1-CG 4.34Å
17D95.5Very high89.4Confident90 Ų9071.5 Ų71.548%0.48136%0.357SS..THydrogen-bonded Turntrans55.2-101.6-172.9-62-49.7000112V15 W19 K88 Y93V15-D17 WeakPolarHBondContact CG1-O 3.46Å; D17-W19 HydrophobicContact CB-CE3 4.27Å; D17-W19 HydrophobicContact CB-CZ3 4.22Å; D17-K88 IonicContact OD1-NZ 2.69Å; D17-K88 PolarHBondContact OD1-NZ 2.64Å; D17-K88 VanDerWaalsContact OD2-CE 3.31Å; D17-K88 WeakPolarHBondContact OD2-CE 3.3Å; D17-K88 IonicContact OD2-NZ 2.76Å; D17-K88 PolarHBondContact OD2-NZ 3.42Å; D17-Y93 WeakPolarHBondContact OD2-CE1 3.29Å; D17-Y93 VanDerWaalsContact OD2-CZ 3.26Å; D17-Y93 PolarHBondContact OD2-OH 2.84Å
18N96.3Very high89.5Confident52 Ų5267.3 Ų67.328%0.27835%0.351SS..THydrogen-bonded Turntrans-108.612-179.6-166.735.9000113.3V16 N38 L39 T40V16-N18 PolarHBondContact O-N 3.44Å; N18-N38 PolarHBondContact ND2-OD1 3.16Å; N18-N38 VanDerWaalsContact ND2-OD1 3.16Å; N18-L39 PolarHBondContact O-N 2.68Å; N18-T40 PolarHBondContact ND2-OG1 2.7Å; N18-T40 PolarHBondContact OD1-OG1 2.95Å; N18-T40 VanDerWaalsContact OD1-OG1 3.07Å
19W98Very high89.1Confident22 Ų2271.3 Ų71.38%0.08337%0.373CS..EExtended strand (participates in β ladder)trans-122.7122.9-173.5-66.5-86.3000111.8V15 V16 D17 V36 V37 E45 M47 Y93 V95V15-W19 CarbonylContact C-O 3.52Å; V15-W19 WeakPolarHBondContact CA-O 3.18Å; V16-W19 PolarHBondContact N-O 3.21Å; V16-W19 PolarHBondContact O-N 2.82Å; D17-W19 HydrophobicContact CB-CE3 4.27Å; D17-W19 HydrophobicContact CB-CZ3 4.22Å; W19-V36 HydrophobicContact CB-CB 4.09Å; W19-V36 HydrophobicContact CB-CG2 4.04Å; W19-V36 HydrophobicContact CG-CG2 4.15Å; W19-V37 WeakPolarHBondContact CA-O 3.23Å; W19-E45 PolarHBondContact NE1-OE2 3.29Å; W19-M47 HydrophobicContact CB-CE 3.64Å; W19-M47 HydrophobicContact CG-CE 4.19Å; W19-Y93 HydrophobicContact CZ3-CE2 4.44Å; W19-V95 HydrophobicContact CD2-CG1 4.47Å; W19-V95 HydrophobicContact CD2-CG2 3.87Å; W19-V95 HydrophobicContact CE3-CG2 4.1Å; W19-V95 HydrophobicContact CG-CG1 4.44Å; W19-V95 HydrophobicContact CG-CG2 4.23Å; W19-V95 HydrophobicContact CZ2-CB 4.33Å; W19-V95 HydrophobicContact CZ2-CG2 4.32Å; W19-V95 HydrophobicContact CZ3-CG2 4.45Å
20E98.2Very high88.2Confident70 Ų7075 Ų7533%0.32739%0.389SS..EExtended strand (participates in β ladder)trans-92.5130.2174.7-175.3-176.7119.400110.7E14 V15 V22 V36 V37 L39E14-E20 WeakPolarHBondContact O-CA 3.48Å; V15-E20 HydrophobicContact CG2-CB 4.19Å; V15-E20 HydrophobicContact CG2-CG 4.25Å; E20-V22 PolarHBondContact O-N 2.94Å; E20-V36 CarbonylContact O-C 3.56Å; E20-V36 WeakPolarHBondContact O-CA 3.39Å; E20-V36 WeakPolarHBondContact O-CB 3.39Å; E20-V37 PolarHBondContact N-O 2.92Å; E20-V37 PolarHBondContact O-N 3.07Å; E20-L39 HydrophobicContact CB-CD2 3.9Å; E20-L39 HydrophobicContact CB-CG 4.37Å
21V97.6Very high87.5Confident1 Ų176 Ų761%0.00640%0.399CS..EExtended strand (participates in β ladder)trans-72.9123.7178.5177.70000111.2L10 K11 K13 E14 Y34 V36L10-V21 HydrophobicContact CB-CG2 4.08Å; L10-V21 HydrophobicContact CD1-CG2 3.92Å; K11-V21 WeakPolarHBondContact O-CB 3.19Å; K13-V21 PolarHBondContact N-O 2.81Å; E14-V21 HydrophobicContact CB-CG2 4.47Å; E14-V21 WeakPolarHBondContact O-CG2 3.46Å; E14-V21 PolarHBondContact O-N 3.25Å; V21-Y34 HydrophobicContact CG1-CD1 3.87Å; V21-Y34 HydrophobicContact CG1-CG 4.3Å; V21-V36 HydrophobicContact CG2-CG1 4.22Å
22V96.8Very high87.4Confident56 Ų5668.9 Ų68.934%0.33937%0.369SS..EExtended strand (participates in β ladder)trans-89.3-57.6175.8-178.50000110.3E20 E35 V37E20-V22 PolarHBondContact O-N 2.94Å; V22-E35 HydrophobicContact CB-CB 4.3Å; V22-E35 HydrophobicContact CB-CG 4.21Å; V22-E35 WeakPolarHBondContact CB-O 3.29Å; V22-E35 HydrophobicContact CG2-CG 4.43Å; V22-E35 PolarHBondContact N-O 3.25Å; V22-V37 HydrophobicContact CG2-CG2 3.66Å
23R94.7Very high87.3Confident123 Ų12366.5 Ų66.546%0.46435%0.353SS..EExtended strand (participates in β ladder)trans-161.1161.7-177.163179.6179.299.16.5111.5L25 Y34 E35R23-L25 VanDerWaalsContact NH2-CD2 3.26Å; R23-Y34 CarbonylContact O-C 3.5Å; R23-Y34 WeakPolarHBondContact O-CA 3.13Å; R23-E35 HydrophobicContact CG-CB 4.01Å; R23-E35 IonicContact CZ-OE2 3.41Å; R23-E35 PolarHBondContact N-O 3.03Å; R23-E35 IonicContact NE-OE2 2.64Å; R23-E35 PolarHBondContact NE-OE2 3.13Å; R23-E35 IonicContact NH2-OE2 3.73Å; R23-E35 PolarHBondContact NH2-OE2 3.38Å; R23-E35 PolarHBondContact O-N 2.96Å
24E91.5Very high87.4Confident60 Ų6058.7 Ų58.728%0.2832%0.319SS..EExtended strand (participates in β ladder)trans-75.2135.2168.8-165.6178.1127.700110.2S8 Y34S8-E24 PolarHBondContact OG-OE2 3.03Å; E24-Y34 HydrophobicContact CB-CD1 4.04Å; E24-Y34 HydrophobicContact CB-CE1 3.93Å; E24-Y34 HydrophobicContact CG-CD1 4.27Å; E24-Y34 HydrophobicContact CG-CE1 3.94Å
25L87Confident87.5Confident67 Ų6755.6 Ų55.635%0.35130%0.304SS..EExtended strand (participates in β ladder)trans-96.1-33.8175.6-66.6176.5000111.7R23 V33 E35 A46 L98R23-L25 VanDerWaalsContact NH2-CD2 3.26Å; L25-V33 HydrophobicContact CB-CB 4.44Å; L25-V33 HydrophobicContact CB-CG1 4.41Å; L25-V33 WeakPolarHBondContact CB-O 3.38Å; L25-V33 HydrophobicContact CD1-CG1 4.15Å; L25-V33 PolarHBondContact N-O 3.44Å; L25-E35 HydrophobicContact CD1-CB 4.14Å; L25-E35 HydrophobicContact CD2-CB 4.02Å; L25-E35 HydrophobicContact CG-CB 4.06Å; L25-A46 HydrophobicContact CD1-CB 4.44Å; L25-L98 HydrophobicContact CD1-CD1 3.62Å
26G80.9Confident87.6Confident29 Ų2952.2 Ų52.230%0.29928%0.283SS..EExtended strand (participates in β ladder)trans176.4165.5176.500000112.3V33G26-V33 PolarHBondContact N-O 3.22Å; G26-V33 PolarHBondContact O-N 2.68Å
27F74.6Confident87.7Confident162 Ų16253.7 Ų53.771%0.71129%0.293SS*.EExtended strand (participates in β ladder)trans-119.4145.4176.369.3-87.1000109.8
28G62.4Low87.8Confident48 Ų4850.1 Ų50.150%0.49527%0.273SS..EExtended strand (participates in β ladder)trans-131.2180175.800000111.2F30 G31G28-F30 PolarHBondContact O-N 3.35Å; G28-F30 VanDerWaalsContact O-N 3.13Å; G28-G31 PolarHBondContact N-O 2.81Å; G28-G31 PolarHBondContact O-N 3.26Å; G28-G31 VanDerWaalsContact O-O 3.11Å
29T56.4Low87.8Confident136 Ų13650.4 Ų50.483%0.83427%0.274SS*.THydrogen-bonded Turntrans-59.9-28.3-173.5-28.30000113.7
30F63.9Low87.7Confident109 Ų10954.3 Ų54.348%0.47830%0.301SS..THydrogen-bonded Turntrans-112.1-6.2-174.9-55.8-72.6000113.6G28 E50G28-F30 PolarHBondContact O-N 3.35Å; G28-F30 VanDerWaalsContact O-N 3.13Å; F30-E50 WeakPolarHBondContact O-CG 3.47Å
31G78.3Confident87.6Confident21 Ų2154.7 Ų54.722%0.21631%0.308CS..EExtended strand (participates in β ladder)trans175.2-168.8-169.100000115.7G28 V49G28-G31 PolarHBondContact N-O 2.81Å; G28-G31 PolarHBondContact O-N 3.26Å; G28-G31 VanDerWaalsContact O-O 3.11Å; G31-V49 CarbonylContact C-O 3.5Å; G31-V49 WeakPolarHBondContact CA-O 3.18Å
32A88.4Confident87.5Confident4 Ų461.7 Ų61.73%0.03334%0.339CS..EExtended strand (participates in β ladder)trans-131.6154178.400000111.1I9 Y34 V49I9-A32 HydrophobicContact CD1-CB 4.21Å; A32-Y34 HydrophobicContact CB-CD2 4.49Å; A32-Y34 HydrophobicContact CB-CE2 3.62Å; A32-V49 PolarHBondContact N-O 2.93Å; A32-V49 PolarHBondContact O-N 3.33Å
33V91.7Very high87.4Confident41 Ų4161.9 Ų61.925%0.24834%0.34CS..EExtended strand (participates in β ladder)trans-116.3131.8175.6-171.60000108.7L25 G26 A46 M47 K48L25-V33 HydrophobicContact CB-CB 4.44Å; L25-V33 HydrophobicContact CB-CG1 4.41Å; L25-V33 WeakPolarHBondContact CB-O 3.38Å; L25-V33 HydrophobicContact CD1-CG1 4.15Å; L25-V33 PolarHBondContact N-O 3.44Å; G26-V33 PolarHBondContact N-O 3.22Å; G26-V33 PolarHBondContact O-N 2.68Å; V33-A46 HydrophobicContact CG1-CB 4.4Å; V33-M47 CarbonylContact C-O 3.55Å; V33-M47 WeakPolarHBondContact CA-O 3.33Å; V33-K48 HydrophobicContact CG2-CB 4.2Å; V33-K48 HydrophobicContact CG2-CD 4.44Å; V33-K48 HydrophobicContact CG2-CG 4.08Å
34Y96.4Very high87.5Confident2 Ų263.2 Ų63.21%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-120.2144.5-177.4-61.3-85.3000110.8S8 I9 L10 V21 R23 E24 A32 A46 M47 V49S8-Y34 PolarHBondContact OG-OH 2.99Å; I9-Y34 PolarHBondContact N-OH 2.78Å; L10-Y34 HydrophobicContact CB-CE1 4.22Å; L10-Y34 HydrophobicContact CB-CE2 4.11Å; L10-Y34 HydrophobicContact CD1-CD2 4.03Å; L10-Y34 HydrophobicContact CD1-CE2 4.12Å; L10-Y34 HydrophobicContact CG-CD2 4.48Å; L10-Y34 HydrophobicContact CG-CE2 4.08Å; L10-Y34 PolarHBondContact N-OH 3.42Å; L10-Y34 VanDerWaalsContact N-OH 3.15Å; V21-Y34 HydrophobicContact CG1-CD1 3.87Å; V21-Y34 HydrophobicContact CG1-CG 4.3Å; R23-Y34 CarbonylContact O-C 3.5Å; R23-Y34 WeakPolarHBondContact O-CA 3.13Å; E24-Y34 HydrophobicContact CB-CD1 4.04Å; E24-Y34 HydrophobicContact CB-CE1 3.93Å; E24-Y34 HydrophobicContact CG-CD1 4.27Å; E24-Y34 HydrophobicContact CG-CE1 3.94Å; A32-Y34 HydrophobicContact CB-CD2 4.49Å; A32-Y34 HydrophobicContact CB-CE2 3.62Å; Y34-A46 CarbonylContact O-C 3.52Å; Y34-A46 WeakPolarHBondContact O-CA 3.34Å; Y34-M47 PolarHBondContact N-O 3.18Å; Y34-M47 PolarHBondContact O-N 3.48Å; Y34-V49 HydrophobicContact CD2-CG2 3.93Å; Y34-V49 HydrophobicContact CE2-CB 4.34Å; Y34-V49 HydrophobicContact CE2-CG2 4.01Å
35E96.9Very high87.8Confident1 Ų160.9 Ų60.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-78.4129.7161.2-176.7178.2165.300107.7V22 R23 L25 R44 L98V22-E35 HydrophobicContact CB-CB 4.3Å; V22-E35 HydrophobicContact CB-CG 4.21Å; V22-E35 WeakPolarHBondContact CB-O 3.29Å; V22-E35 HydrophobicContact CG2-CG 4.43Å; V22-E35 PolarHBondContact N-O 3.25Å; R23-E35 HydrophobicContact CG-CB 4.01Å; R23-E35 IonicContact CZ-OE2 3.41Å; R23-E35 PolarHBondContact N-O 3.03Å; R23-E35 IonicContact NE-OE2 2.64Å; R23-E35 PolarHBondContact NE-OE2 3.13Å; R23-E35 IonicContact NH2-OE2 3.73Å; R23-E35 PolarHBondContact NH2-OE2 3.38Å; R23-E35 PolarHBondContact O-N 2.96Å; L25-E35 HydrophobicContact CD1-CB 4.14Å; L25-E35 HydrophobicContact CD2-CB 4.02Å; L25-E35 HydrophobicContact CG-CB 4.06Å; E35-R44 VanDerWaalsContact OE1-CD 3.27Å; E35-R44 WeakPolarHBondContact OE1-CD 3.46Å; E35-R44 IonicContact OE1-CZ 3.22Å; E35-R44 IonicContact OE1-NE 3.3Å; E35-R44 IonicContact OE1-NH1 3.84Å; E35-R44 PolarHBondContact OE1-NH1 3.33Å; E35-L98 HydrophobicContact CG-CD2 4Å
36V98.1Very high88.2Confident0 Ų058 Ų580%032%0.32CS..EExtended strand (participates in β ladder)trans-130.4155.6-179.6-56.80000110.8W19 E20 V21 R44 E45 M47 V95W19-V36 HydrophobicContact CB-CB 4.09Å; W19-V36 HydrophobicContact CB-CG2 4.04Å; W19-V36 HydrophobicContact CG-CG2 4.15Å; E20-V36 CarbonylContact O-C 3.56Å; E20-V36 WeakPolarHBondContact O-CA 3.39Å; E20-V36 WeakPolarHBondContact O-CB 3.39Å; V21-V36 HydrophobicContact CG2-CG1 4.22Å; V36-R44 WeakPolarHBondContact O-CA 3.31Å; V36-E45 HydrophobicContact CG2-CB 3.94Å; V36-E45 PolarHBondContact N-O 3.04Å; V36-E45 PolarHBondContact O-N 2.99Å; V36-M47 HydrophobicContact CG1-CB 3.54Å; V36-M47 HydrophobicContact CG1-CE 4.03Å; V36-M47 HydrophobicContact CG1-CG 4.5Å; V36-M47 HydrophobicContact CG1-SD 4.25Å; V36-M47 HydrophobicContact CG2-CB 4.08Å; V36-M47 HydrophobicContact CG2-CE 4.5Å; V36-V95 HydrophobicContact CG2-CG1 4.05Å
37V98Very high89Confident34 Ų3456.6 Ų56.621%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-112.3126.1171.4174.40000108.9W19 E20 V22 L39 T43 R44W19-V37 WeakPolarHBondContact CA-O 3.23Å; E20-V37 PolarHBondContact N-O 2.92Å; E20-V37 PolarHBondContact O-N 3.07Å; V22-V37 HydrophobicContact CG2-CG2 3.66Å; V37-L39 PolarHBondContact O-N 2.88Å; V37-T43 WeakPolarHBondContact CA-O 3.5Å; V37-R44 HydrophobicContact CG2-CG 4.08Å
38N97.6Very high89.9Confident15 Ų1550.8 Ų50.88%0.0828%0.28CS..EExtended strand (participates in β ladder)trans-68.7119.4170.3-178.6-46.7000109.1N18 T40 T41 K42 T43N18-N38 PolarHBondContact ND2-OD1 3.16Å; N18-N38 VanDerWaalsContact ND2-OD1 3.16Å; N38-T40 PolarHBondContact O-N 2.91Å; N38-T40 WeakPolarHBondContact OD1-CA 3.29Å; N38-T40 WeakPolarHBondContact OD1-CB 3.4Å; N38-T40 PolarHBondContact OD1-N 2.86Å; N38-T41 WeakPolarHBondContact CB-OG1 3.47Å; N38-T41 PolarHBondContact ND2-OG1 2.77Å; N38-T41 PolarHBondContact OD1-N 3.5Å; N38-T41 PolarHBondContact OD1-OG1 2.99Å; N38-K42 WeakPolarHBondContact O-CA 3.17Å; N38-K42 PolarHBondContact O-N 3.02Å; N38-T43 PolarHBondContact N-O 3.36Å
39L97.1Very high91.4Very high57 Ų5748.6 Ų48.630%0.29826%0.257SS..THydrogen-bonded Turntrans-68.8-22.1-173.4-67.6176.6000113.1V15 N18 E20 V37 K42V15-L39 HydrophobicContact CG1-CD1 3.74Å; V15-L39 HydrophobicContact CG2-CD1 4.16Å; N18-L39 PolarHBondContact O-N 2.68Å; E20-L39 HydrophobicContact CB-CD2 3.9Å; E20-L39 HydrophobicContact CB-CG 4.37Å; V37-L39 PolarHBondContact O-N 2.88Å; L39-K42 VanDerWaalsContact O-CE 3.29Å; L39-K42 WeakPolarHBondContact O-CE 3.43Å; L39-K42 PolarHBondContact O-NZ 3.14Å
40T96.2Very high92.9Very high104 Ų10442.6 Ų42.664%0.63822%0.22SC*.THydrogen-bonded Turntrans-86.1-56.3177.9-56.10000111.5N18 N38N18-T40 PolarHBondContact ND2-OG1 2.7Å; N18-T40 PolarHBondContact OD1-OG1 2.95Å; N18-T40 VanDerWaalsContact OD1-OG1 3.07Å; N38-T40 PolarHBondContact O-N 2.91Å; N38-T40 WeakPolarHBondContact OD1-CA 3.29Å; N38-T40 WeakPolarHBondContact OD1-CB 3.4Å; N38-T40 PolarHBondContact OD1-N 2.86Å
41T95.2Very high93.9Very high79 Ų7943.1 Ų43.149%0.48522%0.222SC..THydrogen-bonded Turntrans-84.9-12.4-174.5570000113.3N38 T43N38-T41 WeakPolarHBondContact CB-OG1 3.47Å; N38-T41 PolarHBondContact ND2-OG1 2.77Å; N38-T41 PolarHBondContact OD1-N 3.5Å; N38-T41 PolarHBondContact OD1-OG1 2.99Å; T41-T43 PolarHBondContact O-N 3.25Å; T41-T43 PolarHBondContact OG1-OG1 3.09Å
42K96Very high93.8Very high147 Ų14747.7 Ų47.764%0.63923%0.233SC*.  trans59.219.1-174-52-54.5-171.2-1690113.9N38 L39N38-K42 WeakPolarHBondContact O-CA 3.17Å; N38-K42 PolarHBondContact O-N 3.02Å; L39-K42 VanDerWaalsContact O-CE 3.29Å; L39-K42 WeakPolarHBondContact O-CE 3.43Å; L39-K42 PolarHBondContact O-NZ 3.14Å
43T94.8Very high92.8Very high61 Ų6149.3 Ų49.337%0.37424%0.244SC..  trans-84.2144177.948.30000111.6V37 N38 T41 E45V37-T43 WeakPolarHBondContact CA-O 3.5Å; N38-T43 PolarHBondContact N-O 3.36Å; T41-T43 PolarHBondContact O-N 3.25Å; T41-T43 PolarHBondContact OG1-OG1 3.09Å; T43-E45 PolarHBondContact OG1-OE1 3.24Å
44R96Very high91.1Very high150 Ų15057.3 Ų57.357%0.56628%0.278SS*.EExtended strand (participates in β ladder)trans-82.7134.4170.4-71.3-179.8175.2-150.18.5110.5E35 V36 V37 L98E35-R44 VanDerWaalsContact OE1-CD 3.27Å; E35-R44 WeakPolarHBondContact OE1-CD 3.46Å; E35-R44 IonicContact OE1-CZ 3.22Å; E35-R44 IonicContact OE1-NE 3.3Å; E35-R44 IonicContact OE1-NH1 3.84Å; E35-R44 PolarHBondContact OE1-NH1 3.33Å; V36-R44 WeakPolarHBondContact O-CA 3.31Å; V37-R44 HydrophobicContact CG2-CG 4.08Å; R44-L98 HydrophobicContact CB-CD2 3.9Å
45E97.1Very high89.3Confident11 Ų1161.4 Ų61.45%0.05130%0.3CS..EExtended strand (participates in β ladder)trans-142.3167.1-173-64.7175.4-169.300110W19 V36 T43 R83 V95W19-E45 PolarHBondContact NE1-OE2 3.29Å; V36-E45 HydrophobicContact CG2-CB 3.94Å; V36-E45 PolarHBondContact N-O 3.04Å; V36-E45 PolarHBondContact O-N 2.99Å; T43-E45 PolarHBondContact OG1-OE1 3.24Å; E45-R83 HydrophobicContact CG-CG 4.34Å; E45-R83 WeakPolarHBondContact OE2-CB 3.31Å; E45-V95 HydrophobicContact CB-CG1 3.72Å; E45-V95 WeakPolarHBondContact OE2-CG1 3.24Å
46A96.6Very high87.5Confident7 Ų767 Ų676%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-110127.4176.700000110.4L25 V33 Y34 V95 M96 L98L25-A46 HydrophobicContact CD1-CB 4.44Å; V33-A46 HydrophobicContact CG1-CB 4.4Å; Y34-A46 CarbonylContact O-C 3.52Å; Y34-A46 WeakPolarHBondContact O-CA 3.34Å; A46-V95 CarbonylContact O-C 3.52Å; A46-V95 WeakPolarHBondContact O-CA 3.42Å; A46-M96 HydrophobicContact CB-CG 4.24Å; A46-M96 PolarHBondContact N-O 3.13Å; A46-M96 PolarHBondContact O-N 2.91Å; A46-L98 HydrophobicContact CB-CD1 3.97Å
47M97.2Very high85.3Confident0 Ų071.9 Ų71.90%036%0.36CS..EExtended strand (participates in β ladder)trans-109115.2176.3-176.8-177.8-71.800110.6L10 V16 W19 V33 Y34 V36 V49 Y93 M94 V95L10-M47 HydrophobicContact CD1-SD 3.76Å; V16-M47 HydrophobicContact CB-CE 3.85Å; V16-M47 HydrophobicContact CB-SD 4.19Å; V16-M47 HydrophobicContact CG1-CE 4.2Å; V16-M47 HydrophobicContact CG1-SD 4.4Å; V16-M47 HydrophobicContact CG2-CE 4.45Å; V16-M47 HydrophobicContact CG2-SD 4.22Å; W19-M47 HydrophobicContact CB-CE 3.64Å; W19-M47 HydrophobicContact CG-CE 4.19Å; V33-M47 CarbonylContact C-O 3.55Å; V33-M47 WeakPolarHBondContact CA-O 3.33Å; Y34-M47 PolarHBondContact N-O 3.18Å; Y34-M47 PolarHBondContact O-N 3.48Å; V36-M47 HydrophobicContact CG1-CB 3.54Å; V36-M47 HydrophobicContact CG1-CE 4.03Å; V36-M47 HydrophobicContact CG1-CG 4.5Å; V36-M47 HydrophobicContact CG1-SD 4.25Å; V36-M47 HydrophobicContact CG2-CB 4.08Å; V36-M47 HydrophobicContact CG2-CE 4.5Å; M47-V49 HydrophobicContact CG-CG2 3.88Å; M47-V49 HydrophobicContact SD-CG2 4.11Å; M47-Y93 HydrophobicContact CE-CD2 4.22Å; M47-Y93 HydrophobicContact CG-CD2 4.34Å; M47-Y93 HydrophobicContact SD-CD2 4.36Å; M47-M94 CarbonylContact C-O 3.57Å; M47-M94 VanDerWaalsContact CA-O 3.27Å; M47-M94 WeakPolarHBondContact CA-O 3.41Å; M47-V95 HydrophobicContact CB-CG2 4.29Å; M47-V95 HydrophobicContact CE-CG2 3.62Å; M47-V95 HydrophobicContact CG-CG2 4.12Å
48K94.4Very high83.3Confident40 Ų4072 Ų7217%0.17436%0.362CS..EExtended strand (participates in β ladder)trans-95.5131.2172.2-178.1171.5178.5-179.20109.3V33 L61 E64 Y93 M94 M96 D164V33-K48 HydrophobicContact CG2-CB 4.2Å; V33-K48 HydrophobicContact CG2-CD 4.44Å; V33-K48 HydrophobicContact CG2-CG 4.08Å; K48-L61 HydrophobicContact CB-CD1 4.4Å; K48-L61 HydrophobicContact CD-CD1 3.9Å; K48-L61 HydrophobicContact CG-CD1 3.88Å; K48-E64 WeakPolarHBondContact CE-OE1 3.47Å; K48-E64 IonicContact NZ-OE1 2.65Å; K48-E64 PolarHBondContact NZ-OE1 2.9Å; K48-E64 IonicContact NZ-OE2 3.78Å; K48-E64 PolarHBondContact NZ-OE2 2.93Å; K48-Y93 CarbonylContact O-C 3.54Å; K48-Y93 VanDerWaalsContact O-CA 3.26Å; K48-Y93 WeakPolarHBondContact O-CA 3.46Å; K48-M94 HydrophobicContact CB-CG 3.88Å; K48-M94 HydrophobicContact CB-SD 4.46Å; K48-M94 PolarHBondContact N-O 2.92Å; K48-M94 PolarHBondContact O-N 3.31Å; K48-M96 HydrophobicContact CB-CE 3.95Å; K48-M96 HydrophobicContact CD-CE 4.38Å; K48-D164 IonicContact NZ-OD1 2.89Å
49V93Very high81.8Confident1 Ų173.4 Ų73.41%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-127.3128.2-173.2-174.20000109.9I9 L10 G31 A32 Y34 M47 Y91 T92I9-V49 HydrophobicContact CB-CG1 4.34Å; I9-V49 HydrophobicContact CD1-CB 4.16Å; I9-V49 HydrophobicContact CD1-CG1 3.91Å; I9-V49 HydrophobicContact CG2-CG1 3.75Å; L10-V49 HydrophobicContact CD1-CG2 3.78Å; L10-V49 HydrophobicContact CG-CG2 4.45Å; G31-V49 CarbonylContact C-O 3.5Å; G31-V49 WeakPolarHBondContact CA-O 3.18Å; A32-V49 PolarHBondContact N-O 2.93Å; A32-V49 PolarHBondContact O-N 3.33Å; Y34-V49 HydrophobicContact CD2-CG2 3.93Å; Y34-V49 HydrophobicContact CE2-CB 4.34Å; Y34-V49 HydrophobicContact CE2-CG2 4.01Å; M47-V49 HydrophobicContact CG-CG2 3.88Å; M47-V49 HydrophobicContact SD-CG2 4.11Å; V49-Y91 HydrophobicContact CG1-CD1 4.44Å; V49-Y91 HydrophobicContact CG1-CD2 3.52Å; V49-Y91 HydrophobicContact CG1-CE2 4.26Å; V49-Y91 HydrophobicContact CG1-CG 3.63Å; V49-T92 WeakPolarHBondContact CA-O 3.3Å
50E88.7Confident80.9Confident11 Ų1172.3 Ų72.35%0.05136%0.362CS..EExtended strand (participates in β ladder)trans-117.2122.1176.4-179.9175-132.900109.1F30 R59 T60 L61 Y91 T92F30-E50 WeakPolarHBondContact O-CG 3.47Å; E50-R59 VanDerWaalsContact OE1-CA 3.32Å; E50-R59 WeakPolarHBondContact OE1-CA 3.48Å; E50-T60 PolarHBondContact OE1-N 3.16Å; E50-T60 PolarHBondContact OE2-N 2.88Å; E50-L61 HydrophobicContact CB-CB 4.01Å; E50-L61 HydrophobicContact CB-CD2 3.79Å; E50-L61 HydrophobicContact CB-CG 4.49Å; E50-L61 WeakPolarHBondContact OE2-CB 3.34Å; E50-L61 PolarHBondContact OE2-N 3.41Å; E50-Y91 CarbonylContact O-C 3.59Å; E50-Y91 VanDerWaalsContact O-CA 3.31Å; E50-Y91 WeakPolarHBondContact O-CA 3Å; E50-Y91 WeakPolarHBondContact O-CB 3.41Å; E50-T92 PolarHBondContact N-O 2.71Å; E50-T92 PolarHBondContact O-N 2.67Å
51K85Confident80.5Confident120 Ų12067.4 Ų67.452%0.52233%0.332SS..EExtended strand (participates in β ladder)trans-63.8145.8176-70.4-171.8-176.7-179.40109.7I9 S53I9-K51 HydrophobicContact CD1-CG 3.79Å; I9-K51 HydrophobicContact CG1-CD 4.46Å; I9-K51 HydrophobicContact CG1-CG 4.05Å; K51-S53 PolarHBondContact O-N 3.41Å; K51-S53 VanDerWaalsContact O-N 3.07Å
52R75.4Confident80.3Confident117 Ų11767 Ų6744%0.44232%0.324SS..  trans-71.5104.5172.4-76.3177.2128.8-163.4-3.3109.9S89 D90R52-S89 WeakPolarHBondContact CD-O 3.47Å; R52-S89 PolarHBondContact NH1-O 2.83Å; R52-D90 WeakPolarHBondContact CB-O 3.44Å; R52-D90 PolarHBondContact N-O 3Å
53S67.5Low80Confident38 Ų3862.4 Ų62.427%0.26631%0.306SS..  trans-73.7156165.252.90000111.4K51 D55 S58 R59K51-S53 PolarHBondContact O-N 3.41Å; K51-S53 VanDerWaalsContact O-N 3.07Å; S53-D55 VanDerWaalsContact C-N 3.27Å; S53-D55 PolarHBondContact OG-O 2.5Å; S53-S58 PolarHBondContact OG-OG 2.97Å; S53-R59 PolarHBondContact O-NH2 3.18Å
54Q55.3Low79.9Confident208 Ų20859.7 Ų59.797%0.97229%0.289SS*.SBendtrans-67-31168.3-75-172.9-1600112
55D59.7Low79.9Confident89 Ų8953.9 Ų53.948%0.47627%0.269SS..  trans-85.5110.9176.5-174-1.5000110.6S53 S57 S58S53-D55 VanDerWaalsContact C-N 3.27Å; S53-D55 PolarHBondContact OG-O 2.5Å; D55-S57 PolarHBondContact O-N 3.02Å; D55-S57 VanDerWaalsContact OD1-CB 3.29Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 3.48Å; D55-S57 PolarHBondContact OD1-OG 3.27Å; D55-S57 PolarHBondContact OD2-OG 2.93Å; D55-S57 VanDerWaalsContact OD2-OG 3.05Å; D55-S58 PolarHBondContact O-OG 2.9Å; D55-S58 VanDerWaalsContact O-OG 3.05Å
56E59.4Low79.8Confident119 Ų11957.8 Ų57.856%0.55629%0.287SS*.G310 helixtrans-66.4-23.6176.6-70.3-139124.500113.1S58 R59 K62E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.42Å; E56-R59 WeakPolarHBondContact O-CB 3.18Å; E56-R59 PolarHBondContact O-N 3.19Å; E56-R59 IonicContact OE1-CZ 2.82Å; E56-R59 IonicContact OE1-NH1 2.85Å; E56-R59 PolarHBondContact OE1-NH1 2.67Å; E56-K62 IonicContact OE1-NZ 3.78Å; E56-K62 PolarHBondContact OE1-NZ 2.87Å
57S51.9Low79.8Confident101 Ų10157.4 Ų57.471%0.70628%0.284SS*.G310 helixtrans-73.3-19.7-174.175.10000113.6D55 R59D55-S57 PolarHBondContact O-N 3.02Å; D55-S57 VanDerWaalsContact OD1-CB 3.29Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 3.48Å; D55-S57 PolarHBondContact OD1-OG 3.27Å; D55-S57 PolarHBondContact OD2-OG 2.93Å; D55-S57 VanDerWaalsContact OD2-OG 3.05Å; S57-R59 VanDerWaalsContact C-N 3.3Å
58S55.1Low79.7Confident36 Ų3657.5 Ų57.525%0.25229%0.285SS..G310 helixtrans-82-7174.764.80000113.8S53 D55 E56 T60S53-S58 PolarHBondContact OG-OG 2.97Å; D55-S58 PolarHBondContact O-OG 2.9Å; D55-S58 VanDerWaalsContact O-OG 3.05Å; E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.42Å; S58-T60 PolarHBondContact O-N 2.84Å
59R66Low79.9Confident45 Ų4561.2 Ų61.217%0.1730%0.301CS..  trans-84.5111.5-173.9-60.3-176.9-167.3157.73.7111.7E50 S53 E56 S57E50-R59 VanDerWaalsContact OE1-CA 3.32Å; E50-R59 WeakPolarHBondContact OE1-CA 3.48Å; S53-R59 PolarHBondContact O-NH2 3.18Å; E56-R59 WeakPolarHBondContact O-CB 3.18Å; E56-R59 PolarHBondContact O-N 3.19Å; E56-R59 IonicContact OE1-CZ 2.82Å; E56-R59 IonicContact OE1-NH1 2.85Å; E56-R59 PolarHBondContact OE1-NH1 2.67Å; S57-R59 VanDerWaalsContact C-N 3.3Å
60T79.4Confident80Confident34 Ų3464 Ų6421%0.20931%0.314CS..  trans-99.5-21.4-177.754.40000112.7E50 S58 K62 L63 E64 G166E50-T60 PolarHBondContact OE1-N 3.16Å; E50-T60 PolarHBondContact OE2-N 2.88Å; S58-T60 PolarHBondContact O-N 2.84Å; T60-K62 VanDerWaalsContact C-N 3.29Å; T60-K62 PolarHBondContact O-N 3.36Å; T60-L63 WeakPolarHBondContact O-CB 3.32Å; T60-L63 PolarHBondContact O-N 2.89Å; T60-E64 PolarHBondContact O-N 2.96Å; T60-E64 VanDerWaalsContact O-N 3.13Å; T60-G166 WeakPolarHBondContact CG2-O 3.31Å
61L87.6Confident80.4Confident1 Ų163.5 Ų63.51%0.00531%0.312CS..Hα-helixtrans-66.1-29.7-171.8-163.265.6000113.2K48 E50 L63 E64 I65 T92 M94K48-L61 HydrophobicContact CB-CD1 4.4Å; K48-L61 HydrophobicContact CD-CD1 3.9Å; K48-L61 HydrophobicContact CG-CD1 3.88Å; E50-L61 HydrophobicContact CB-CB 4.01Å; E50-L61 HydrophobicContact CB-CD2 3.79Å; E50-L61 HydrophobicContact CB-CG 4.49Å; E50-L61 WeakPolarHBondContact OE2-CB 3.34Å; E50-L61 PolarHBondContact OE2-N 3.41Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 2.83Å; L61-E64 HydrophobicContact CD1-CB 4.48Å; L61-E64 PolarHBondContact O-N 2.88Å; L61-I65 HydrophobicContact CG-CD1 4.17Å; L61-I65 WeakPolarHBondContact O-CB 3.31Å; L61-I65 WeakPolarHBondContact O-CD1 3.41Å; L61-I65 VanDerWaalsContact O-CG1 3.25Å; L61-I65 WeakPolarHBondContact O-CG1 3.44Å; L61-I65 PolarHBondContact O-N 2.84Å; L61-T92 HydrophobicContact CD2-CG2 4Å; L61-T92 VanDerWaalsContact CD2-O 3.26Å; L61-T92 WeakPolarHBondContact CD2-O 3.5Å; L61-M94 HydrophobicContact CD1-CG 3.85Å; L61-M94 HydrophobicContact CD1-SD 3.47Å; L61-M94 WeakPolarHBondContact CD1-SD 3.44Å; L61-M94 HydrophobicContact CG-SD 4.41Å
62K89.6Confident81Confident72 Ų7259.8 Ų59.831%0.31330%0.299SS..Hα-helixtrans-60.4-42.4173.9-69.8-177.8-172.6170.60111.5E56 T60 Q66E56-K62 IonicContact OE1-NZ 3.78Å; E56-K62 PolarHBondContact OE1-NZ 2.87Å; T60-K62 VanDerWaalsContact C-N 3.29Å; T60-K62 PolarHBondContact O-N 3.36Å; K62-Q66 PolarHBondContact O-N 2.7Å; K62-Q66 VanDerWaalsContact O-N 3.16Å
63L90.3Very high81.9Confident50 Ų5059.7 Ų59.726%0.26231%0.307SS..Hα-helixtrans-68.1-43.4177.5176.162000110.4T60 L61 I65 Q66 V67 Y139 A168T60-L63 WeakPolarHBondContact O-CB 3.32Å; T60-L63 PolarHBondContact O-N 2.89Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 2.83Å; L63-I65 PolarHBondContact O-N 3.26Å; L63-Q66 WeakPolarHBondContact O-CB 3.42Å; L63-Q66 PolarHBondContact O-N 2.78Å; L63-V67 HydrophobicContact CD1-CG2 4.09Å; L63-V67 HydrophobicContact CG-CG2 4.41Å; L63-V67 WeakPolarHBondContact O-CG2 3.16Å; L63-V67 PolarHBondContact O-N 3.22Å; L63-Y139 HydrophobicContact CD1-CE1 4.45Å; L63-A168 WeakPolarHBondContact CD2-O 3.34Å
64E93.9Very high83.2Confident4 Ų461.3 Ų61.32%0.01932%0.323CS..Hα-helixtrans-59.7-45176.9-69.5-172.7-117.600112.6K48 T60 L61 Q66 V67 L68 M94 F165 G166K48-E64 WeakPolarHBondContact CE-OE1 3.47Å; K48-E64 IonicContact NZ-OE1 2.65Å; K48-E64 PolarHBondContact NZ-OE1 2.9Å; K48-E64 IonicContact NZ-OE2 3.78Å; K48-E64 PolarHBondContact NZ-OE2 2.93Å; T60-E64 PolarHBondContact O-N 2.96Å; T60-E64 VanDerWaalsContact O-N 3.13Å; L61-E64 HydrophobicContact CD1-CB 4.48Å; L61-E64 PolarHBondContact O-N 2.88Å; E64-Q66 VanDerWaalsContact C-N 3.3Å; E64-Q66 PolarHBondContact O-N 2.81Å; E64-V67 PolarHBondContact O-N 2.94Å; E64-L68 VanDerWaalsContact O-CB 3.28Å; E64-L68 WeakPolarHBondContact O-CB 3.45Å; E64-L68 PolarHBondContact O-N 2.76Å; E64-M94 HydrophobicContact CB-SD 4.14Å; E64-F165 VanDerWaalsContact CG-C 3.49Å; E64-F165 HydrophobicContact CG-CB 4.09Å; E64-G166 VanDerWaalsContact CG-N 3.31Å
65I95.1Very high85Confident27 Ų2760.3 Ų60.314%0.13832%0.315CS..Hα-helixtrans-59.6-43.8175.7-70.5162.8000110.5L61 L63 K69 L82 T92 M94L61-I65 HydrophobicContact CG-CD1 4.17Å; L61-I65 WeakPolarHBondContact O-CB 3.31Å; L61-I65 WeakPolarHBondContact O-CD1 3.41Å; L61-I65 VanDerWaalsContact O-CG1 3.25Å; L61-I65 WeakPolarHBondContact O-CG1 3.44Å; L61-I65 PolarHBondContact O-N 2.84Å; L63-I65 PolarHBondContact O-N 3.26Å; I65-K69 WeakPolarHBondContact O-CB 3.2Å; I65-K69 PolarHBondContact O-N 3.05Å; I65-L82 HydrophobicContact CG2-CD2 4.35Å; I65-T92 HydrophobicContact CD1-CG2 4.26Å; I65-M94 HydrophobicContact CD1-CB 4.12Å; I65-M94 HydrophobicContact CG1-CB 3.68Å; I65-M94 HydrophobicContact CG1-SD 4.23Å
66Q94.8Very high86.7Confident93 Ų9357.1 Ų57.144%0.43530%0.301SS..Hα-helixtrans-61.6-52.2178.3179.4-178.7-15.400111.3K62 L63 E64 L68 K69 E70 Y139K62-Q66 PolarHBondContact O-N 2.7Å; K62-Q66 VanDerWaalsContact O-N 3.16Å; L63-Q66 WeakPolarHBondContact O-CB 3.42Å; L63-Q66 PolarHBondContact O-N 2.78Å; E64-Q66 VanDerWaalsContact C-N 3.3Å; E64-Q66 PolarHBondContact O-N 2.81Å; Q66-L68 PolarHBondContact O-N 3.32Å; Q66-K69 PolarHBondContact O-N 3.3Å; Q66-E70 PolarHBondContact NE2-OE1 3.32Å; Q66-E70 PolarHBondContact O-N 3.05Å; Q66-Y139 PolarHBondContact NE2-OH 2.73Å
67V96.2Very high88.2Confident0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-60.8-47.5-178.9174.70000110.5L63 E64 K69 E70 L71 L134 Y139 F165 A168L63-V67 HydrophobicContact CD1-CG2 4.09Å; L63-V67 HydrophobicContact CG-CG2 4.41Å; L63-V67 WeakPolarHBondContact O-CG2 3.16Å; L63-V67 PolarHBondContact O-N 3.22Å; E64-V67 PolarHBondContact O-N 2.94Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.39Å; V67-E70 PolarHBondContact O-N 2.72Å; V67-L71 HydrophobicContact CG1-CD1 3.78Å; V67-L71 HydrophobicContact CG1-CG 4.45Å; V67-L71 VanDerWaalsContact O-CG 3.3Å; V67-L71 WeakPolarHBondContact O-CG 3.4Å; V67-L71 PolarHBondContact O-N 2.85Å; V67-L134 HydrophobicContact CG1-CD1 3.57Å; V67-Y139 HydrophobicContact CG1-CD2 4.43Å; V67-Y139 HydrophobicContact CG1-CG 4.48Å; V67-Y139 HydrophobicContact CG2-CD1 3.66Å; V67-Y139 HydrophobicContact CG2-CD2 4.27Å; V67-Y139 HydrophobicContact CG2-CE1 3.56Å; V67-Y139 HydrophobicContact CG2-CE2 4.21Å; V67-Y139 HydrophobicContact CG2-CG 4.04Å; V67-F165 HydrophobicContact CB-CB 4.03Å; V67-F165 HydrophobicContact CB-CG 4.21Å; V67-F165 HydrophobicContact CG1-CB 3.91Å; V67-F165 HydrophobicContact CG1-CD1 3.78Å; V67-F165 HydrophobicContact CG1-CD2 4.15Å; V67-F165 HydrophobicContact CG1-CE1 4.36Å; V67-F165 HydrophobicContact CG1-CG 3.64Å; V67-F165 HydrophobicContact CG2-CB 4.37Å; V67-A168 HydrophobicContact CG2-CB 4.18Å
68L96.7Very high90.1Very high2 Ų252.2 Ų52.21%0.0126%0.263CS..Hα-helixtrans-67.4-33.6-178.2-160.362.3000112.5E64 Q66 L71 T72 C80 L82 M94 M96 F165E64-L68 VanDerWaalsContact O-CB 3.28Å; E64-L68 WeakPolarHBondContact O-CB 3.45Å; E64-L68 PolarHBondContact O-N 2.76Å; Q66-L68 PolarHBondContact O-N 3.32Å; L68-L71 PolarHBondContact O-N 3.47Å; L68-T72 VanDerWaalsContact O-CB 3.29Å; L68-T72 WeakPolarHBondContact O-CB 3.41Å; L68-T72 PolarHBondContact O-N 3.01Å; L68-T72 PolarHBondContact O-OG1 2.87Å; L68-C80 HydrophobicContact CD1-CB 4.49Å; L68-C80 WeakPolarHBondContact CD1-O 3.33Å; L68-C80 HydrophobicContact CD2-CB 4.46Å; L68-C80 WeakPolarHBondContact CG-O 3.34Å; L68-L82 HydrophobicContact CD2-CB 4.1Å; L68-L82 HydrophobicContact CD2-CD1 4.15Å; L68-L82 HydrophobicContact CG-CB 4.13Å; L68-M94 HydrophobicContact CB-CE 4.27Å; L68-M94 HydrophobicContact CD2-CE 3.27Å; L68-M94 HydrophobicContact CG-CE 4.39Å; L68-M96 HydrophobicContact CD2-CB 3.84Å; L68-M96 HydrophobicContact CD2-SD 4.16Å; L68-F165 HydrophobicContact CD1-CD2 4.4Å; L68-F165 HydrophobicContact CD1-CE2 3.7Å; L68-F165 HydrophobicContact CD1-CZ 4.5Å
69K96.6Very high91.9Very high118 Ų11851 Ų5151%0.51325%0.254SS..Hα-helixtrans-62.7-51.1172.9-176178.6178.2-177.40110.9I65 Q66 V67 L71 T72 D73 L82I65-K69 WeakPolarHBondContact O-CB 3.2Å; I65-K69 PolarHBondContact O-N 3.05Å; Q66-K69 PolarHBondContact O-N 3.3Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.39Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 2.94Å; K69-T72 PolarHBondContact O-N 3.43Å; K69-T72 VanDerWaalsContact O-N 3.14Å; K69-D73 WeakPolarHBondContact O-CB 3.5Å; K69-D73 VanDerWaalsContact O-CG 3.27Å; K69-D73 PolarHBondContact O-N 3.48Å; K69-L82 HydrophobicContact CB-CD2 3.85Å; K69-L82 HydrophobicContact CG-CD2 4.41Å
70E95.9Very high93.3Very high58 Ų5849 Ų4927%0.27125%0.247SC..Hα-helixtrans-58.8-39.7178.3-71.1-174.8-141.200111.6Q66 V67 A74 Y139Q66-E70 PolarHBondContact NE2-OE1 3.32Å; Q66-E70 PolarHBondContact O-N 3.05Å; V67-E70 PolarHBondContact O-N 2.72Å; E70-A74 VanDerWaalsContact O-CB 3.23Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.33Å; E70-Y139 PolarHBondContact OE1-OH 3.4Å
71L97Very high94Very high2 Ų248.6 Ų48.61%0.0125%0.247CC..Hα-helixtrans-68.7-38.4175.8-69168.7000113.4V67 L68 K69 A74 K75 A76 C79 L134 A137 F165V67-L71 HydrophobicContact CG1-CD1 3.78Å; V67-L71 HydrophobicContact CG1-CG 4.45Å; V67-L71 VanDerWaalsContact O-CG 3.3Å; V67-L71 WeakPolarHBondContact O-CG 3.4Å; V67-L71 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 3.47Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 2.94Å; L71-A74 PolarHBondContact O-N 3.08Å; L71-K75 PolarHBondContact O-N 3.39Å; L71-K75 VanDerWaalsContact O-N 3.13Å; L71-A76 HydrophobicContact CB-CB 4.03Å; L71-A76 HydrophobicContact CD2-CB 3.92Å; L71-A76 WeakPolarHBondContact O-CB 3.38Å; L71-A76 PolarHBondContact O-N 2.82Å; L71-C79 HydrophobicContact CB-CB 4.39Å; L71-C79 HydrophobicContact CD1-CB 4.23Å; L71-L134 HydrophobicContact CD1-CD1 3.97Å; L71-A137 HydrophobicContact CD2-CB 3.76Å; L71-A137 HydrophobicContact CG-CB 4.45Å; L71-F165 HydrophobicContact CD1-CE1 4.15Å; L71-F165 HydrophobicContact CD1-CE2 4.34Å; L71-F165 HydrophobicContact CD1-CZ 3.89Å
72T96.9Very high94.5Very high42 Ų4250 Ų5026%0.25825%0.254SS..Hα-helixtrans-65.7-46.4176.6-59.80000110.4L68 K69 A74 K75 A81 L82L68-T72 VanDerWaalsContact O-CB 3.29Å; L68-T72 WeakPolarHBondContact O-CB 3.41Å; L68-T72 PolarHBondContact O-N 3.01Å; L68-T72 PolarHBondContact O-OG1 2.87Å; K69-T72 PolarHBondContact O-N 3.43Å; K69-T72 VanDerWaalsContact O-N 3.14Å; T72-A74 VanDerWaalsContact C-N 3.28Å; T72-A74 PolarHBondContact O-N 3.32Å; T72-K75 PolarHBondContact O-N 2.93Å; T72-A81 HydrophobicContact CG2-CB 4.32Å; T72-L82 PolarHBondContact OG1-N 3.22Å
73D95.9Very high94.8Very high114 Ų11453 Ų5361%0.6126%0.264SS*.Hα-helixtrans-63.4-36.9178.1-67.7-16000111K69 K75K69-D73 WeakPolarHBondContact O-CB 3.5Å; K69-D73 VanDerWaalsContact O-CG 3.27Å; K69-D73 PolarHBondContact O-N 3.48Å; D73-K75 PolarHBondContact O-N 3.49Å
74A94.3Very high95.1Very high72 Ų7251.3 Ų51.360%0.59526%0.258SS*.THydrogen-bonded Turntrans-76.4-4174.600000114.5E70 L71 T72 A76E70-A74 VanDerWaalsContact O-CB 3.23Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.33Å; L71-A74 PolarHBondContact O-N 3.08Å; T72-A74 VanDerWaalsContact C-N 3.28Å; T72-A74 PolarHBondContact O-N 3.32Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 2.84Å
75K93.8Very high95.2Very high188 Ų18853.9 Ų53.982%0.81728%0.277SS*.THydrogen-bonded Turntrans53.844.7-175.3-55.8179.5-178177.90112.9L71 T72 D73L71-K75 PolarHBondContact O-N 3.39Å; L71-K75 VanDerWaalsContact O-N 3.13Å; T72-K75 PolarHBondContact O-N 2.93Å; D73-K75 PolarHBondContact O-N 3.49Å
76A94.5Very high95.2Very high21 Ų2153.6 Ų53.617%0.17428%0.28CS..  trans-53.6139.317600000111.5L71 A74 C79 D133L71-A76 HydrophobicContact CB-CB 4.03Å; L71-A76 HydrophobicContact CD2-CB 3.92Å; L71-A76 WeakPolarHBondContact O-CB 3.38Å; L71-A76 PolarHBondContact O-N 2.82Å; A74-A76 VanDerWaalsContact C-N 3.32Å; A74-A76 PolarHBondContact O-N 2.84Å; A76-C79 HydrophobicContact CB-CB 4.13Å; A76-D133 HydrophobicContact CB-CB 3.82Å
77R90.2Very high95Very high109 Ų10956.4 Ų56.441%0.41129%0.287SS..THydrogen-bonded Turntrans-71-40.8-170.8-65.9167.9-73.7177.4-6.3112.5E129 E132 D133R77-E129 IonicContact NH1-OE1 3.62Å; R77-E129 PolarHBondContact NH1-OE1 2.92Å; R77-E129 PolarHBondContact NH2-O 3.04Å; R77-E132 IonicContact CZ-OE2 3.5Å; R77-E132 IonicContact NH1-OE2 3.15Å; R77-E132 IonicContact NH2-OE2 3.33Å; R77-E132 PolarHBondContact NH2-OE2 2.84Å; R77-D133 WeakPolarHBondContact CB-OD2 3.5Å; R77-D133 IonicContact CZ-OD1 2.81Å; R77-D133 IonicContact CZ-OD2 2.68Å; R77-D133 PolarHBondContact N-OD2 2.73Å; R77-D133 IonicContact NE-OD1 3.57Å; R77-D133 PolarHBondContact NE-OD1 3.02Å; R77-D133 IonicContact NE-OD2 3.73Å; R77-D133 PolarHBondContact NE-OD2 2.88Å; R77-D133 IonicContact NH2-OD1 3.02Å; R77-D133 PolarHBondContact NH2-OD1 2.86Å; R77-D133 IonicContact NH2-OD2 2.67Å
78N92.1Very high94.8Very high8 Ų859.5 Ų59.54%0.04330%0.3CS..THydrogen-bonded Turntrans-123.537.9-165.8-66.294.3000112.1L126 E129 V160 Y161 V162N78-L126 VanDerWaalsContact CG-O 3.3Å; N78-E129 WeakPolarHBondContact OD1-CB 3.4Å; N78-V160 WeakPolarHBondContact CA-O 3.25Å; N78-V160 WeakPolarHBondContact CB-O 2.95Å; N78-V160 PolarHBondContact ND2-O 3.43Å; N78-Y161 CarbonylContact O-C 3.51Å; N78-Y161 WeakPolarHBondContact O-CA 3.34Å; N78-V162 PolarHBondContact O-N 2.86Å
79C93.4Very high94.3Very high12 Ų1264.2 Ų64.28%0.08133%0.334CS..BIsolated β-bridgetrans-130.6150.2176.8-60.70000110.6L71 A76 A81L71-C79 HydrophobicContact CB-CB 4.39Å; L71-C79 HydrophobicContact CD1-CB 4.23Å; A76-C79 HydrophobicContact CB-CB 4.13Å; C79-A81 PolarHBondContact O-N 3.39Å
80C95.3Very high93.8Very high3 Ų362.7 Ų62.72%0.0233%0.331CS..PPolyproline II helixtrans-65.2134.7175.5-66.50000109.8L68 L82 M96 V99L68-C80 HydrophobicContact CD1-CB 4.49Å; L68-C80 WeakPolarHBondContact CD1-O 3.33Å; L68-C80 HydrophobicContact CD2-CB 4.46Å; L68-C80 WeakPolarHBondContact CG-O 3.34Å; C80-L82 PolarHBondContact O-N 2.76Å; C80-M96 HydrophobicContact CB-CB 4.11Å; C80-M96 HydrophobicContact CB-CG 4.41Å; C80-M96 HydrophobicContact CB-SD 4.27Å; C80-V99 VanDerWaalsContact SG-CG1 3.57Å
81A95Very high93.6Very high24 Ų2460.6 Ų60.620%0.19832%0.321CS..PPolyproline II helixtrans-71.8132.6170.400000110T72 C79 M96 T97T72-A81 HydrophobicContact CG2-CB 4.32Å; C79-A81 PolarHBondContact O-N 3.39Å; A81-M96 CarbonylContact O-C 3.58Å; A81-M96 VanDerWaalsContact O-CA 3.25Å; A81-M96 WeakPolarHBondContact O-CA 3.38Å; A81-T97 PolarHBondContact N-OG1 3.46Å; A81-T97 PolarHBondContact O-N 3.33Å; A81-T97 PolarHBondContact O-OG1 2.98Å
82L97Very high93.3Very high30 Ų3060.8 Ų60.816%0.15732%0.322CS..EExtended strand (participates in β ladder)trans-70.8122.4169.2-174.870.2000109.1I65 L68 K69 T72 C80 M94I65-L82 HydrophobicContact CG2-CD2 4.35Å; L68-L82 HydrophobicContact CD2-CB 4.1Å; L68-L82 HydrophobicContact CD2-CD1 4.15Å; L68-L82 HydrophobicContact CG-CB 4.13Å; K69-L82 HydrophobicContact CB-CD2 3.85Å; K69-L82 HydrophobicContact CG-CD2 4.41Å; T72-L82 PolarHBondContact OG1-N 3.22Å; C80-L82 PolarHBondContact O-N 2.76Å; L82-M94 HydrophobicContact CD1-CB 4.22Å; L82-M94 HydrophobicContact CD1-CE 4.04Å
83R96.5Very high93.2Very high136 Ų13659.1 Ų59.151%0.51331%0.311SS..EExtended strand (participates in β ladder)trans-101.7-28.8-178-56.6-58.7-179-180-1112.8E45 V95E45-R83 HydrophobicContact CG-CG 4.34Å; E45-R83 WeakPolarHBondContact OE2-CB 3.31Å; R83-V95 HydrophobicContact CB-CB 4.31Å; R83-V95 HydrophobicContact CB-CG1 4.16Å; R83-V95 PolarHBondContact N-O 2.86Å
84G95.8Very high93.2Very high14 Ų1453.8 Ų53.814%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-174.3165.5179.300000111.1V95G84-V95 PolarHBondContact N-O 2.92Å; G84-V95 PolarHBondContact O-N 3.46Å
85S96.4Very high93.4Very high59 Ų5950.3 Ų50.341%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-160.7153172.162.30000109Y93S85-Y93 VanDerWaalsContact CA-O 3.31Å; S85-Y93 WeakPolarHBondContact CA-O 3.4Å; S85-Y93 WeakPolarHBondContact CB-O 3.43Å
86G94.1Very high93.5Very high20 Ų2042.6 Ų42.621%0.20622%0.221CC..EExtended strand (participates in β ladder)trans-165.4177178.900000112.8T92 Y93G86-T92 WeakPolarHBondContact O-CG2 3.28Å; G86-Y93 PolarHBondContact N-O 2.71Å; G86-Y93 WeakPolarHBondContact O-CD1 3.47Å; G86-Y93 PolarHBondContact O-N 2.82Å
87R91.8Very high93.6Very high152 Ų15242.6 Ų42.657%0.57422%0.219SC*.EExtended strand (participates in β ladder)trans-125.9130.5176.6-66.4-179.1-175.3-175.56.8108.5T92R87-T92 HydrophobicContact CG-CG2 4.04Å
88K91.3Very high93.8Very high65 Ų6538.2 Ų38.228%0.28320%0.204SC..  trans-105.2178166.5-60-57.3-177.1-1770109D17 D90 Y91D17-K88 IonicContact OD1-NZ 2.69Å; D17-K88 PolarHBondContact OD1-NZ 2.64Å; D17-K88 VanDerWaalsContact OD2-CE 3.31Å; D17-K88 WeakPolarHBondContact OD2-CE 3.3Å; D17-K88 IonicContact OD2-NZ 2.76Å; D17-K88 PolarHBondContact OD2-NZ 3.42Å; K88-D90 PolarHBondContact O-N 2.86Å; K88-Y91 HydrophobicContact CB-CD1 4.29Å; K88-Y91 HydrophobicContact CB-CD2 4.17Å; K88-Y91 HydrophobicContact CB-CE1 4.01Å; K88-Y91 HydrophobicContact CB-CE2 3.9Å; K88-Y91 HydrophobicContact CB-CG 4.36Å; K88-Y91 HydrophobicContact CG-CD2 4.2Å; K88-Y91 HydrophobicContact CG-CE1 4.18Å; K88-Y91 HydrophobicContact CG-CE2 3.49Å; K88-Y91 VanDerWaalsContact CG-CE2 3.49Å; K88-Y91 VanDerWaalsContact CG-CZ 3.48Å; K88-Y91 PolarHBondContact N-O 2.71Å
89S85.8Confident94Very high102 Ų10239.3 Ų39.371%0.71321%0.21SC*.SBendtrans-59.7-37.8-177.142.30000112R52R52-S89 WeakPolarHBondContact CD-O 3.47Å; R52-S89 PolarHBondContact NH1-O 2.83Å
90D87.4Confident93.9Very high86 Ų8639.7 Ų39.746%0.4622%0.217SC..SBendtrans-113.5-17.2-167.760.3-30.1000114.3R52 K88R52-D90 WeakPolarHBondContact CB-O 3.44Å; R52-D90 PolarHBondContact N-O 3Å; K88-D90 PolarHBondContact O-N 2.86Å
91Y90.4Very high93.7Very high13 Ų1342.5 Ų42.55%0.05124%0.235CC..EExtended strand (participates in β ladder)trans-145.1161.8177.561.4-97.8000114.1I9 L10 V16 V49 E50 K88 Y93I9-Y91 HydrophobicContact CG2-CD1 4.06Å; I9-Y91 HydrophobicContact CG2-CG 4.4Å; L10-Y91 HydrophobicContact CD2-CE1 3.77Å; L10-Y91 HydrophobicContact CD2-CE2 4.41Å; L10-Y91 WeakPolarHBondContact CD2-OH 3.45Å; V16-Y91 HydrophobicContact CG1-CE2 4.33Å; V16-Y91 WeakPolarHBondContact CG2-OH 3.33Å; V49-Y91 HydrophobicContact CG1-CD1 4.44Å; V49-Y91 HydrophobicContact CG1-CD2 3.52Å; V49-Y91 HydrophobicContact CG1-CE2 4.26Å; V49-Y91 HydrophobicContact CG1-CG 3.63Å; E50-Y91 CarbonylContact O-C 3.59Å; E50-Y91 VanDerWaalsContact O-CA 3.31Å; E50-Y91 WeakPolarHBondContact O-CA 3Å; E50-Y91 WeakPolarHBondContact O-CB 3.41Å; K88-Y91 HydrophobicContact CB-CD1 4.29Å; K88-Y91 HydrophobicContact CB-CD2 4.17Å; K88-Y91 HydrophobicContact CB-CE1 4.01Å; K88-Y91 HydrophobicContact CB-CE2 3.9Å; K88-Y91 HydrophobicContact CB-CG 4.36Å; K88-Y91 HydrophobicContact CG-CD2 4.2Å; K88-Y91 HydrophobicContact CG-CE1 4.18Å; K88-Y91 HydrophobicContact CG-CE2 3.49Å; K88-Y91 VanDerWaalsContact CG-CE2 3.49Å; K88-Y91 VanDerWaalsContact CG-CZ 3.48Å; K88-Y91 PolarHBondContact N-O 2.71Å; Y91-Y93 HydrophobicContact CD2-CD1 4.33Å; Y91-Y93 AromaticContact CE2-CD1 3.93Å; Y91-Y93 HydrophobicContact CE2-CD1 3.93Å; Y91-Y93 HydrophobicContact CE2-CG 4.47Å
92T92.3Very high93.7Very high6 Ų641.7 Ų41.74%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-108.9144.1165-55.80000108.3V49 E50 L61 I65 G86 R87V49-T92 WeakPolarHBondContact CA-O 3.3Å; E50-T92 PolarHBondContact N-O 2.71Å; E50-T92 PolarHBondContact O-N 2.67Å; L61-T92 HydrophobicContact CD2-CG2 4Å; L61-T92 VanDerWaalsContact CD2-O 3.26Å; L61-T92 WeakPolarHBondContact CD2-O 3.5Å; I65-T92 HydrophobicContact CD1-CG2 4.26Å; G86-T92 WeakPolarHBondContact O-CG2 3.28Å; R87-T92 HydrophobicContact CG-CG2 4.04Å
93Y94.9Very high93.6Very high8 Ų840.3 Ų40.33%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-135153.2179.875.7-91.1000112V16 D17 W19 M47 K48 S85 G86 Y91 V95V16-Y93 HydrophobicContact CG1-CD1 3.94Å; V16-Y93 HydrophobicContact CG1-CE1 3.76Å; V16-Y93 HydrophobicContact CG1-CE2 4.46Å; V16-Y93 HydrophobicContact CG1-CG 4.34Å; D17-Y93 WeakPolarHBondContact OD2-CE1 3.29Å; D17-Y93 VanDerWaalsContact OD2-CZ 3.26Å; D17-Y93 PolarHBondContact OD2-OH 2.84Å; W19-Y93 HydrophobicContact CZ3-CE2 4.44Å; M47-Y93 HydrophobicContact CE-CD2 4.22Å; M47-Y93 HydrophobicContact CG-CD2 4.34Å; M47-Y93 HydrophobicContact SD-CD2 4.36Å; K48-Y93 CarbonylContact O-C 3.54Å; K48-Y93 VanDerWaalsContact O-CA 3.26Å; K48-Y93 WeakPolarHBondContact O-CA 3.46Å; S85-Y93 VanDerWaalsContact CA-O 3.31Å; S85-Y93 WeakPolarHBondContact CA-O 3.4Å; S85-Y93 WeakPolarHBondContact CB-O 3.43Å; G86-Y93 PolarHBondContact N-O 2.71Å; G86-Y93 WeakPolarHBondContact O-CD1 3.47Å; G86-Y93 PolarHBondContact O-N 2.82Å; Y91-Y93 HydrophobicContact CD2-CD1 4.33Å; Y91-Y93 AromaticContact CE2-CD1 3.93Å; Y91-Y93 HydrophobicContact CE2-CD1 3.93Å; Y91-Y93 HydrophobicContact CE2-CG 4.47Å; Y93-V95 HydrophobicContact CD2-CG2 3.96Å; Y93-V95 HydrophobicContact CE2-CG2 4Å
94M95.7Very high93.4Very high1 Ų135.1 Ų35.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-130.8144.2166.170.4-176.2-75.900109.5M47 K48 L61 E64 I65 L68 L82 M96M47-M94 CarbonylContact C-O 3.57Å; M47-M94 VanDerWaalsContact CA-O 3.27Å; M47-M94 WeakPolarHBondContact CA-O 3.41Å; K48-M94 HydrophobicContact CB-CG 3.88Å; K48-M94 HydrophobicContact CB-SD 4.46Å; K48-M94 PolarHBondContact N-O 2.92Å; K48-M94 PolarHBondContact O-N 3.31Å; L61-M94 HydrophobicContact CD1-CG 3.85Å; L61-M94 HydrophobicContact CD1-SD 3.47Å; L61-M94 WeakPolarHBondContact CD1-SD 3.44Å; L61-M94 HydrophobicContact CG-SD 4.41Å; E64-M94 HydrophobicContact CB-SD 4.14Å; I65-M94 HydrophobicContact CD1-CB 4.12Å; I65-M94 HydrophobicContact CG1-CB 3.68Å; I65-M94 HydrophobicContact CG1-SD 4.23Å; L68-M94 HydrophobicContact CB-CE 4.27Å; L68-M94 HydrophobicContact CD2-CE 3.27Å; L68-M94 HydrophobicContact CG-CE 4.39Å; L82-M94 HydrophobicContact CD1-CB 4.22Å; L82-M94 HydrophobicContact CD1-CE 4.04Å; M94-M96 HydrophobicContact CE-CB 4.43Å; M94-M96 HydrophobicContact CE-CE 4.33Å; M94-M96 HydrophobicContact CE-SD 3.88Å
95V97.8Very high93.1Very high0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-114.7131.3174.1-169.10000108.5W19 V36 E45 A46 M47 R83 G84 Y93W19-V95 HydrophobicContact CD2-CG1 4.47Å; W19-V95 HydrophobicContact CD2-CG2 3.87Å; W19-V95 HydrophobicContact CE3-CG2 4.1Å; W19-V95 HydrophobicContact CG-CG1 4.44Å; W19-V95 HydrophobicContact CG-CG2 4.23Å; W19-V95 HydrophobicContact CZ2-CB 4.33Å; W19-V95 HydrophobicContact CZ2-CG2 4.32Å; W19-V95 HydrophobicContact CZ3-CG2 4.45Å; V36-V95 HydrophobicContact CG2-CG1 4.05Å; E45-V95 HydrophobicContact CB-CG1 3.72Å; E45-V95 WeakPolarHBondContact OE2-CG1 3.24Å; A46-V95 CarbonylContact O-C 3.52Å; A46-V95 WeakPolarHBondContact O-CA 3.42Å; M47-V95 HydrophobicContact CB-CG2 4.29Å; M47-V95 HydrophobicContact CE-CG2 3.62Å; M47-V95 HydrophobicContact CG-CG2 4.12Å; R83-V95 HydrophobicContact CB-CB 4.31Å; R83-V95 HydrophobicContact CB-CG1 4.16Å; R83-V95 PolarHBondContact N-O 2.86Å; G84-V95 PolarHBondContact N-O 2.92Å; G84-V95 PolarHBondContact O-N 3.46Å; Y93-V95 HydrophobicContact CD2-CG2 3.96Å; Y93-V95 HydrophobicContact CE2-CG2 4Å
96M96.7Very high92.8Very high26 Ų2637.9 Ų37.913%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-141.2174.3-175.562.3-177.6146.600111.4A46 K48 L68 C80 A81 M94 L98A46-M96 HydrophobicContact CB-CG 4.24Å; A46-M96 PolarHBondContact N-O 3.13Å; A46-M96 PolarHBondContact O-N 2.91Å; K48-M96 HydrophobicContact CB-CE 3.95Å; K48-M96 HydrophobicContact CD-CE 4.38Å; L68-M96 HydrophobicContact CD2-CB 3.84Å; L68-M96 HydrophobicContact CD2-SD 4.16Å; C80-M96 HydrophobicContact CB-CB 4.11Å; C80-M96 HydrophobicContact CB-CG 4.41Å; C80-M96 HydrophobicContact CB-SD 4.27Å; A81-M96 CarbonylContact O-C 3.58Å; A81-M96 VanDerWaalsContact O-CA 3.25Å; A81-M96 WeakPolarHBondContact O-CA 3.38Å; M94-M96 HydrophobicContact CE-CB 4.43Å; M94-M96 HydrophobicContact CE-CE 4.33Å; M94-M96 HydrophobicContact CE-SD 3.88Å; M96-L98 PolarHBondContact O-N 2.89Å
97T95.3Very high92.5Very high21 Ų2137 Ų3713%0.12920%0.199CC..EExtended strand (participates in β ladder)trans-54.7130.3174.7-58.40000110.9A81A81-T97 PolarHBondContact N-OG1 3.46Å; A81-T97 PolarHBondContact O-N 3.33Å; A81-T97 PolarHBondContact O-OG1 2.98Å
98L95.7Very high92.3Very high17 Ų1736.4 Ų36.49%0.08920%0.202CC..  trans-73.5134.7171.5-176.963.1000109.4L25 E35 R44 A46 M96 E153L25-L98 HydrophobicContact CD1-CD1 3.62Å; E35-L98 HydrophobicContact CG-CD2 4Å; R44-L98 HydrophobicContact CB-CD2 3.9Å; A46-L98 HydrophobicContact CB-CD1 3.97Å; M96-L98 PolarHBondContact O-N 2.89Å; L98-E153 WeakPolarHBondContact CD2-OE2 3.46Å
99V94.7Very high92Very high30 Ų3038.6 Ų38.618%0.18222%0.221CC..  trans-127.3162-177.5-62.70000110.8C80 Y161 L163C80-V99 VanDerWaalsContact SG-CG1 3.57Å; V99-Y161 HydrophobicContact CB-CD2 4.32Å; V99-Y161 HydrophobicContact CG1-CD1 4.17Å; V99-Y161 HydrophobicContact CG1-CD2 3.55Å; V99-Y161 HydrophobicContact CG1-CE2 4.07Å; V99-Y161 HydrophobicContact CG1-CG 3.62Å; V99-L163 HydrophobicContact CG2-CD1 4.19Å; V99-L163 HydrophobicContact CG2-CD2 4.22Å
100G92.7Very high91.7Very high21 Ų2135.5 Ų35.522%0.21620%0.2CC..  trans-79.6-160.7177.800000113.6S150 V151G100-S150 WeakPolarHBondContact O-CB 3.33Å; G100-S150 PolarHBondContact O-OG 2.84Å; G100-V151 WeakPolarHBondContact CA-O 3.44Å; G100-V151 PolarHBondContact N-O 3.36Å
101P91.4Very high90.8Very high61 Ų6141.5 Ų41.540%0.39622%0.222SC..  trans-62.2146.6-176.425.6-34.7000112.4N105 L106 S150 V151P101-N105 HydrophobicContact CB-CB 3.79Å; P101-L106 HydrophobicContact CB-CD2 4.24Å; P101-L106 HydrophobicContact CB-CG 4.26Å; P101-L106 HydrophobicContact CG-CD2 3.6Å; P101-L106 HydrophobicContact CG-CG 4.01Å; P101-S150 WeakPolarHBondContact O-CA 3.49Å; P101-V151 HydrophobicContact CG-CG2 3.88Å; P101-V151 PolarHBondContact O-N 3.4Å; P101-V151 VanDerWaalsContact O-N 3.14Å
102S94.5Very high90.1Very high8 Ų846.8 Ų46.86%0.05625%0.251CS..BIsolated β-bridgetrans-65.4163.2169.877.10000111.3E104 N105 L106 F149 S150S102-E104 PolarHBondContact O-N 3.44Å; S102-E104 PolarHBondContact OG-N 2.85Å; S102-N105 PolarHBondContact O-N 2.7Å; S102-N105 VanDerWaalsContact O-N 3.14Å; S102-N105 PolarHBondContact OG-N 3.02Å; S102-N105 VanDerWaalsContact OG-N 3.14Å; S102-N105 PolarHBondContact OG-OD1 3.21Å; S102-L106 WeakPolarHBondContact O-CG 3.2Å; S102-L106 PolarHBondContact O-N 3.39Å; S102-F149 CarbonylContact C-O 3.26Å; S102-F149 WeakPolarHBondContact CA-O 3.45Å; S102-F149 WeakPolarHBondContact CB-O 3.08Å; S102-S150 VanDerWaalsContact CA-OG 3.29Å; S102-S150 WeakPolarHBondContact CA-OG 3.47Å; S102-S150 PolarHBondContact N-OG 3.23Å
103F94.5Very high89.7Confident0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-58.5-37.3172.5-67-8000111.4N105 L106 L107 A123 A127 P146 F149 V151 V160 V206 L210F103-N105 PolarHBondContact O-N 3.48Å; F103-L106 HydrophobicContact CD1-CD1 4.35Å; F103-L106 PolarHBondContact O-N 3.49Å; F103-L107 WeakPolarHBondContact O-CG 3.46Å; F103-L107 PolarHBondContact O-N 3.2Å; F103-A123 HydrophobicContact CE1-CB 3.98Å; F103-A123 HydrophobicContact CE2-CB 4.18Å; F103-A123 HydrophobicContact CZ-CB 3.61Å; F103-A127 HydrophobicContact CE2-CB 4.14Å; F103-A127 HydrophobicContact CZ-CB 4.45Å; F103-P146 HydrophobicContact CB-CB 3.97Å; F103-P146 WeakPolarHBondContact CB-O 3.09Å; F103-P146 PolarHBondContact N-O 3.34Å; F103-F149 HydrophobicContact CD1-CB 4.16Å; F103-F149 HydrophobicContact CD2-CB 3.53Å; F103-F149 HydrophobicContact CD2-CD2 4.26Å; F103-F149 HydrophobicContact CD2-CG 4.17Å; F103-F149 HydrophobicContact CE1-CB 4.13Å; F103-F149 HydrophobicContact CE2-CB 3.49Å; F103-F149 VanDerWaalsContact CE2-CB 3.49Å; F103-F149 HydrophobicContact CE2-CD2 4.31Å; F103-F149 AromaticContact CE2-CG 3.94Å; F103-F149 HydrophobicContact CE2-CG 3.94Å; F103-F149 HydrophobicContact CG-CB 3.88Å; F103-F149 HydrophobicContact CZ-CB 3.8Å; F103-F149 PolarHBondContact N-O 3.05Å; F103-V151 HydrophobicContact CE1-CG1 4.23Å; F103-V160 HydrophobicContact CE1-CG1 3.95Å; F103-V160 HydrophobicContact CE1-CG2 3.85Å; F103-V160 HydrophobicContact CE2-CG1 4.41Å; F103-V160 HydrophobicContact CZ-CB 4.28Å; F103-V160 HydrophobicContact CZ-CG1 3.48Å; F103-V160 VanDerWaalsContact CZ-CG1 3.48Å; F103-V160 HydrophobicContact CZ-CG2 3.74Å; F103-V206 HydrophobicContact CD2-CG1 4.05Å; F103-V206 HydrophobicContact CE2-CG1 4.5Å; F103-L210 HydrophobicContact CB-CD2 3.86Å; F103-L210 HydrophobicContact CD2-CD1 3.71Å; F103-L210 HydrophobicContact CD2-CD2 4.24Å; F103-L210 HydrophobicContact CD2-CG 4.5Å; F103-L210 HydrophobicContact CE2-CD1 4Å; F103-L210 HydrophobicContact CG-CD1 4.28Å; F103-L210 HydrophobicContact CG-CD2 4.35Å
104E92.5Very high89.3Confident27 Ų2751.6 Ų51.613%0.12628%0.278CS..Hα-helixtrans-61.9-44.7175.6-165.766-15700111.2S102 L106 L107 H108 P146 Q147 R209S102-E104 PolarHBondContact O-N 3.44Å; S102-E104 PolarHBondContact OG-N 2.85Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.24Å; E104-L107 PolarHBondContact O-N 3.01Å; E104-H108 PolarHBondContact O-CD2 3.46Å; E104-H108 PolarHBondContact O-N 3.43Å; E104-H108 IonicContact OE1-NE2 3.26Å; E104-P146 HydrophobicContact CB-CB 4.13Å; E104-P146 PolarHBondContact N-O 2.69Å; E104-P146 WeakPolarHBondContact OE2-CB 3.27Å; E104-Q147 HydrophobicContact CB-CG 3.9Å; E104-Q147 HydrophobicContact CG-CG 4.23Å; E104-R209 IonicContact OE1-CZ 3.92Å; E104-R209 IonicContact OE1-NE 3.72Å; E104-R209 IonicContact OE1-NH2 3.46Å; E104-R209 PolarHBondContact OE1-NH2 3.41Å; E104-R209 IonicContact OE2-NE 3.87Å; E104-R209 IonicContact OE2-NH2 2.63Å
105N89.2Confident88.7Confident92 Ų9252.8 Ų52.849%0.49228%0.284SS..Hα-helixtrans-61-41.1175.7-68.599.1000111.5P101 S102 F103 L107 H108 T109P101-N105 HydrophobicContact CB-CB 3.79Å; S102-N105 PolarHBondContact O-N 2.7Å; S102-N105 VanDerWaalsContact O-N 3.14Å; S102-N105 PolarHBondContact OG-N 3.02Å; S102-N105 VanDerWaalsContact OG-N 3.14Å; S102-N105 PolarHBondContact OG-OD1 3.21Å; F103-N105 PolarHBondContact O-N 3.48Å; N105-L107 VanDerWaalsContact C-N 3.35Å; N105-L107 PolarHBondContact O-N 3.44Å; N105-H108 PolarHBondContact O-N 2.78Å; N105-T109 PolarHBondContact O-N 2.71Å
106L89.9Confident87.9Confident39 Ų3955.9 Ų55.920%0.20431%0.306CS..Hα-helixtrans-62.1-40.9177-71.8175.6000112P101 S102 F103 E104 H108 T109 C110 V151P101-L106 HydrophobicContact CB-CD2 4.24Å; P101-L106 HydrophobicContact CB-CG 4.26Å; P101-L106 HydrophobicContact CG-CD2 3.6Å; P101-L106 HydrophobicContact CG-CG 4.01Å; S102-L106 WeakPolarHBondContact O-CG 3.2Å; S102-L106 PolarHBondContact O-N 3.39Å; F103-L106 HydrophobicContact CD1-CD1 4.35Å; F103-L106 PolarHBondContact O-N 3.49Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.24Å; L106-H108 VanDerWaalsContact C-N 3.29Å; L106-H108 PolarHBondContact O-N 2.95Å; L106-T109 PolarHBondContact O-N 3.17Å; L106-T109 VanDerWaalsContact O-N 3.07Å; L106-T109 PolarHBondContact O-OG1 3.11Å; L106-C110 PolarHBondContact O-N 2.88Å; L106-C110 PolarHBondContact O-SG 2.84Å; L106-V151 HydrophobicContact CD1-CG1 3.7Å; L106-V151 HydrophobicContact CD1-CG2 4.17Å
107L88.9Confident87.1Confident2 Ų261.5 Ų61.51%0.0133%0.325CS..Hα-helixtrans-59.4-40.9176.4-66.3173.8000111.8F103 E104 N105 T109 C110 G113 L115 R209 L210F103-L107 WeakPolarHBondContact O-CG 3.46Å; F103-L107 PolarHBondContact O-N 3.2Å; E104-L107 PolarHBondContact O-N 3.01Å; N105-L107 VanDerWaalsContact C-N 3.35Å; N105-L107 PolarHBondContact O-N 3.44Å; L107-T109 PolarHBondContact O-N 3.11Å; L107-C110 PolarHBondContact O-N 3.35Å; L107-C110 VanDerWaalsContact O-N 3.11Å; L107-G113 WeakPolarHBondContact CD2-O 3.39Å; L107-G113 WeakPolarHBondContact O-CA 3.42Å; L107-L115 HydrophobicContact CD2-CG 4.08Å; L107-R209 HydrophobicContact CD1-CG 3.99Å; L107-L210 HydrophobicContact CD1-CD2 3.91Å; L107-L210 HydrophobicContact CD2-CD2 4.02Å; L107-L210 HydrophobicContact CG-CD2 4.1Å
108H86.8Confident86.1Confident139 Ų13968.4 Ų68.464%0.64435%0.35SS*.Hα-helixtrans-63.4-25.7176.4-71.9-62.4000113.8E104 N105 L106E104-H108 PolarHBondContact O-CD2 3.46Å; E104-H108 PolarHBondContact O-N 3.43Å; E104-H108 IonicContact OE1-NE2 3.26Å; N105-H108 PolarHBondContact O-N 2.78Å; L106-H108 VanDerWaalsContact C-N 3.29Å; L106-H108 PolarHBondContact O-N 2.95Å
109T84.2Confident85.4Confident111 Ų11170 Ų7068%0.68136%0.363SS*.Hα-helixtrans-83.4-15.2176.367.20000113.4N105 L106 L107N105-T109 PolarHBondContact O-N 2.71Å; L106-T109 PolarHBondContact O-N 3.17Å; L106-T109 VanDerWaalsContact O-N 3.07Å; L106-T109 PolarHBondContact O-OG1 3.11Å; L107-T109 PolarHBondContact O-N 3.11Å
110C80.5Confident85Confident38 Ų3868.6 Ų68.626%0.25735%0.354SS..SBendtrans-86.4133.5-177.8-66.70000110.9L106 L107 N112 G113 K114L106-C110 PolarHBondContact O-N 2.88Å; L106-C110 PolarHBondContact O-SG 2.84Å; L107-C110 PolarHBondContact O-N 3.35Å; L107-C110 VanDerWaalsContact O-N 3.11Å; C110-N112 PolarHBondContact O-N 2.86Å; C110-G113 PolarHBondContact O-N 2.86Å; C110-K114 VanDerWaalsContact CB-O 3.26Å; C110-K114 WeakPolarHBondContact CB-O 3.03Å
111K68.1Low84.6Confident211 Ų21171.4 Ų71.492%0.91736%0.363SS*.THydrogen-bonded Turntrans-50.9-26.3-173.7-70.9-173.1177.4-176.60115.5
112N76.1Confident84.2Confident124 Ų12472.4 Ų72.466%0.66336%0.36SS*.THydrogen-bonded Turntrans-120.117.4-178.2-65.1-26.9000113.1C110 K114C110-N112 PolarHBondContact O-N 2.86Å; N112-K114 HydrophobicContact CB-CG 4.05Å; N112-K114 PolarHBondContact O-N 3.49Å; N112-K114 VanDerWaalsContact O-N 3.13Å
113G84.1Confident83.7Confident23 Ų2372.4 Ų72.424%0.23736%0.36CS..SBendtrans6516.2-177.800000114.5L107 C110 G213L107-G113 WeakPolarHBondContact CD2-O 3.39Å; L107-G113 WeakPolarHBondContact O-CA 3.42Å; C110-G113 PolarHBondContact O-N 2.86Å; G113-G213 WeakPolarHBondContact O-CA 3.47Å
114K87.1Confident83.5Confident93 Ų9372.5 Ų72.540%0.40436%0.36SS..  trans-139.4152-177.168.9-178.5178.7-178.20112C110 N112 T211C110-K114 VanDerWaalsContact CB-O 3.26Å; C110-K114 WeakPolarHBondContact CB-O 3.03Å; N112-K114 HydrophobicContact CB-CG 4.05Å; N112-K114 PolarHBondContact O-N 3.49Å; N112-K114 VanDerWaalsContact O-N 3.13Å; K114-T211 WeakPolarHBondContact CD-O 3.39Å
115L82.1Confident83.5Confident25 Ų2575.8 Ų75.813%0.13138%0.378CS..  trans-83.1162.2170.6-62.7-178.1000110.7L107 A120 L210L107-L115 HydrophobicContact CD2-CG 4.08Å; L115-A120 HydrophobicContact CB-CB 4.11Å; L115-L210 HydrophobicContact CD1-CB 4.31Å; L115-L210 HydrophobicContact CD1-CD1 4.03Å; L115-L210 HydrophobicContact CD1-CG 4.49Å; L115-L210 PolarHBondContact N-O 2.85Å
116S81.8Confident83.6Confident65 Ų6572.4 Ų72.446%0.45536%0.36SS..  trans-62.4152.8164.681.10000109.8Y118 S119 A120S116-Y118 PolarHBondContact O-N 3.07Å; S116-S119 PolarHBondContact O-N 2.87Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 WeakPolarHBondContact OG-CB 3.43Å; S116-S119 PolarHBondContact OG-N 3.21Å; S116-S119 PolarHBondContact OG-OG 3.41Å; S116-A120 WeakPolarHBondContact O-CB 3.25Å; S116-A120 PolarHBondContact O-N 2.88Å
117W78.4Confident83.8Confident144 Ų14470.6 Ų70.655%0.54535%0.351SS..Hα-helixtrans-52.8-42.8175.3-85.7102.3000112.5M121 T211W117-M121 HydrophobicContact CE3-CE 3.55Å; W117-M121 HydrophobicContact CZ3-CE 3.37Å; W117-M121 WeakPolarHBondContact O-CB 3.34Å; W117-M121 WeakPolarHBondContact O-CG 3.48Å; W117-M121 PolarHBondContact O-N 2.78Å; W117-T211 HydrophobicContact CD2-CG2 4.24Å; W117-T211 HydrophobicContact CE3-CG2 3.71Å; W117-T211 HydrophobicContact CH2-CG2 4.32Å; W117-T211 HydrophobicContact CZ3-CG2 3.76Å
118Y74.9Confident84.1Confident166 Ų16673.1 Ų73.165%0.65136%0.364SS*.Hα-helixtrans-61.7-50.3177.9179.4-90.5000111.5S116 A120 M121 Y122S116-Y118 PolarHBondContact O-N 3.07Å; Y118-A120 PolarHBondContact O-N 3.35Å; Y118-M121 PolarHBondContact O-N 2.85Å; Y118-Y122 WeakPolarHBondContact O-CB 3.25Å; Y118-Y122 PolarHBondContact O-N 3.28Å
119S81.9Confident84.5Confident51 Ų5169.1 Ų69.136%0.35735%0.345SS..Hα-helixtrans-63.4-41.4179.8-56.80000112.2S116 A123S116-S119 PolarHBondContact O-N 2.87Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 WeakPolarHBondContact OG-CB 3.43Å; S116-S119 PolarHBondContact OG-N 3.21Å; S116-S119 PolarHBondContact OG-OG 3.41Å; S119-A123 WeakPolarHBondContact O-CB 3.33Å; S119-A123 PolarHBondContact O-N 2.85Å
120A86.7Confident85Confident0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-65.2-46.317800000111.8L115 S116 Y118 A123 C124 L210 T211L115-A120 HydrophobicContact CB-CB 4.11Å; S116-A120 WeakPolarHBondContact O-CB 3.25Å; S116-A120 PolarHBondContact O-N 2.88Å; Y118-A120 PolarHBondContact O-N 3.35Å; A120-A123 PolarHBondContact O-N 2.89Å; A120-C124 VanDerWaalsContact O-CB 3.28Å; A120-C124 WeakPolarHBondContact O-CB 3.49Å; A120-C124 PolarHBondContact O-N 3Å; A120-L210 HydrophobicContact CB-CB 3.92Å; A120-T211 HydrophobicContact CB-CG2 3.44Å; A120-T211 VanDerWaalsContact CB-CG2 3.44Å
121M84Confident85.8Confident81 Ų8162 Ų6240%0.39930%0.301SS..Hα-helixtrans-63.1-44.3177.6-71.8-66.6165.200111.6W117 Y118 C124 L125 L207W117-M121 HydrophobicContact CE3-CE 3.55Å; W117-M121 HydrophobicContact CZ3-CE 3.37Å; W117-M121 WeakPolarHBondContact O-CB 3.34Å; W117-M121 WeakPolarHBondContact O-CG 3.48Å; W117-M121 PolarHBondContact O-N 2.78Å; Y118-M121 PolarHBondContact O-N 2.85Å; M121-C124 PolarHBondContact O-N 3.37Å; M121-L125 WeakPolarHBondContact O-CB 3.4Å; M121-L125 PolarHBondContact O-N 3.03Å; M121-L207 HydrophobicContact CE-CD1 3.88Å; M121-L207 HydrophobicContact CE-CD2 4.17Å; M121-L207 HydrophobicContact CE-CG 4.46Å; M121-L207 HydrophobicContact SD-CD1 3.95Å; M121-L207 HydrophobicContact SD-CD2 4.42Å
122Y82.5Confident87.2Confident82 Ų8255.9 Ų55.932%0.32228%0.275SS..Hα-helixtrans-61.2-48.2176.4-179.2-92.6000111.8Y118 L125 L126 R158Y118-Y122 WeakPolarHBondContact O-CB 3.25Å; Y118-Y122 PolarHBondContact O-N 3.28Å; Y122-L125 PolarHBondContact O-N 2.78Å; Y122-L126 HydrophobicContact CD1-CD1 4.26Å; Y122-L126 HydrophobicContact CE1-CD1 3.55Å; Y122-L126 HydrophobicContact CE1-CG 4.43Å; Y122-L126 PolarHBondContact O-N 3.19Å; Y122-R158 VanDerWaalsContact CE1-O 3.25Å; Y122-R158 WeakPolarHBondContact CE1-O 3Å; Y122-R158 PolarHBondContact OH-O 3.2Å
123A84.3Confident88.1Confident7 Ų750.8 Ų50.86%0.05825%0.248CC..Hα-helixtrans-62.6-44.2178.500000112.1F103 S119 A120 L126 A127 L210F103-A123 HydrophobicContact CE1-CB 3.98Å; F103-A123 HydrophobicContact CE2-CB 4.18Å; F103-A123 HydrophobicContact CZ-CB 3.61Å; S119-A123 WeakPolarHBondContact O-CB 3.33Å; S119-A123 PolarHBondContact O-N 2.85Å; A120-A123 PolarHBondContact O-N 2.89Å; A123-L126 PolarHBondContact O-N 2.86Å; A123-A127 WeakPolarHBondContact O-CB 3.49Å; A123-A127 PolarHBondContact O-N 3.32Å; A123-L210 HydrophobicContact CB-CD1 4.32Å
124C89.9Confident88.7Confident2 Ų249.7 Ų49.71%0.01424%0.237CC..Hα-helixtrans-69.9-32.3178.5-79.10000113.2A120 M121 A127 L128 W203 L207A120-C124 VanDerWaalsContact O-CB 3.28Å; A120-C124 WeakPolarHBondContact O-CB 3.49Å; A120-C124 PolarHBondContact O-N 3Å; M121-C124 PolarHBondContact O-N 3.37Å; C124-A127 PolarHBondContact O-N 3.37Å; C124-L128 WeakPolarHBondContact O-CB 3.43Å; C124-L128 PolarHBondContact O-N 3.46Å; C124-W203 HydrophobicContact CB-CZ2 3.78Å; C124-W203 WeakPolarHBondContact O-CZ2 3.37Å; C124-W203 PolarHBondContact O-NE1 2.72Å; C124-L207 HydrophobicContact CB-CB 4.38Å; C124-L207 HydrophobicContact CB-CD1 3.9Å; C124-L207 WeakPolarHBondContact SG-CA 3.16Å
125L91.6Very high89.1Confident97 Ų9746.3 Ų46.351%0.50822%0.222SC..Hα-helixtrans-58.5-52.2172.2176.463.9000110.5M121 Y122 A127 L128 E129M121-L125 WeakPolarHBondContact O-CB 3.4Å; M121-L125 PolarHBondContact O-N 3.03Å; Y122-L125 PolarHBondContact O-N 2.78Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.42Å; L125-L128 WeakPolarHBondContact O-CB 3.13Å; L125-L128 PolarHBondContact O-N 3.12Å; L125-L128 VanDerWaalsContact O-N 3.11Å; L125-E129 WeakPolarHBondContact O-CG 3.18Å; L125-E129 PolarHBondContact O-N 3.35Å
126L91.3Very high89.6Confident21 Ų2151.4 Ų51.411%0.1124%0.244CC..Hα-helixtrans-66.9-33.7179.4-61.2-176.3000112.6N78 Y122 A123 L128 E129 G130 R158 V160N78-L126 VanDerWaalsContact CG-O 3.3Å; Y122-L126 HydrophobicContact CD1-CD1 4.26Å; Y122-L126 HydrophobicContact CE1-CD1 3.55Å; Y122-L126 HydrophobicContact CE1-CG 4.43Å; Y122-L126 PolarHBondContact O-N 3.19Å; A123-L126 PolarHBondContact O-N 2.86Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-E129 WeakPolarHBondContact CD2-OE2 3.37Å; L126-E129 PolarHBondContact O-N 2.77Å; L126-G130 PolarHBondContact O-N 3.47Å; L126-G130 VanDerWaalsContact O-N 3.11Å; L126-R158 WeakPolarHBondContact CD1-O 3.45Å; L126-V160 HydrophobicContact CB-CB 3.64Å; L126-V160 HydrophobicContact CB-CG2 3.8Å; L126-V160 HydrophobicContact CD1-CB 4.31Å; L126-V160 HydrophobicContact CD1-CG2 3.93Å; L126-V160 HydrophobicContact CG-CG2 4.48Å
127A94.7Very high90.2Very high0 Ų049.1 Ų49.10%023%0.228CC..Hα-helixtrans-62.6-39.2171.400000112F103 A123 C124 L125 G130 L131 F149 V160F103-A127 HydrophobicContact CE2-CB 4.14Å; F103-A127 HydrophobicContact CZ-CB 4.45Å; A123-A127 WeakPolarHBondContact O-CB 3.49Å; A123-A127 PolarHBondContact O-N 3.32Å; C124-A127 PolarHBondContact O-N 3.37Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.42Å; A127-G130 PolarHBondContact O-N 2.81Å; A127-L131 PolarHBondContact O-N 3.26Å; A127-L131 VanDerWaalsContact O-N 3.07Å; A127-F149 HydrophobicContact CB-CD1 3.6Å; A127-F149 HydrophobicContact CB-CE1 3.54Å; A127-F149 HydrophobicContact CB-CG 4.16Å; A127-F149 HydrophobicContact CB-CZ 4.06Å; A127-V160 HydrophobicContact CB-CG1 4.24Å
128L95.6Very high90.9Very high55 Ų5544.9 Ų44.929%0.28821%0.214SC..Hα-helixtrans-67.9-40.7177.3-17460.6000111.5C124 L125 L126 G130 L131 E132 L200 W203C124-L128 WeakPolarHBondContact O-CB 3.43Å; C124-L128 PolarHBondContact O-N 3.46Å; L125-L128 WeakPolarHBondContact O-CB 3.13Å; L125-L128 PolarHBondContact O-N 3.12Å; L125-L128 VanDerWaalsContact O-N 3.11Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L128-G130 VanDerWaalsContact C-N 3.27Å; L128-G130 PolarHBondContact O-N 3.06Å; L128-L131 PolarHBondContact O-N 3.38Å; L128-E132 WeakPolarHBondContact O-CB 3.39Å; L128-E132 PolarHBondContact O-N 3.3Å; L128-L200 HydrophobicContact CD1-CD2 3.53Å; L128-W203 HydrophobicContact CB-CZ2 3.99Å; L128-W203 HydrophobicContact CD1-CD2 4.24Å; L128-W203 HydrophobicContact CD1-CG 4.46Å; L128-W203 HydrophobicContact CD2-CH2 4.25Å; L128-W203 HydrophobicContact CD2-CZ2 4.05Å; L128-W203 HydrophobicContact CG-CZ2 4.46Å
129E95.1Very high91.9Very high55 Ų5537.1 Ų37.126%0.25718%0.183SC..Hα-helixtrans-58.9-39.2173.2-69.2-174.5136.500112R77 N78 L125 L126 E132 D133R77-E129 IonicContact NH1-OE1 3.62Å; R77-E129 PolarHBondContact NH1-OE1 2.92Å; R77-E129 PolarHBondContact NH2-O 3.04Å; N78-E129 WeakPolarHBondContact OD1-CB 3.4Å; L125-E129 WeakPolarHBondContact O-CG 3.18Å; L125-E129 PolarHBondContact O-N 3.35Å; L126-E129 WeakPolarHBondContact CD2-OE2 3.37Å; L126-E129 PolarHBondContact O-N 2.77Å; E129-E132 WeakPolarHBondContact O-CB 3.27Å; E129-E132 PolarHBondContact O-N 3.45Å; E129-D133 PolarHBondContact O-N 2.91Å
130G95.5Very high92.5Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-66.9-39174.400000114.1L126 A127 L128 E132 D133 L134L126-G130 PolarHBondContact O-N 3.47Å; L126-G130 VanDerWaalsContact O-N 3.11Å; A127-G130 PolarHBondContact O-N 2.81Å; L128-G130 VanDerWaalsContact C-N 3.27Å; L128-G130 PolarHBondContact O-N 3.06Å; G130-E132 VanDerWaalsContact C-N 3.34Å; G130-D133 PolarHBondContact O-N 3.14Å; G130-L134 PolarHBondContact O-N 2.65Å; G130-L134 VanDerWaalsContact O-N 3.08Å
131L96.8Very high92.8Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-66.4-37.6172.3-68.7176.7000111.7A127 L128 L134 H135 H141 V144 F149 W203A127-L131 PolarHBondContact O-N 3.26Å; A127-L131 VanDerWaalsContact O-N 3.07Å; L128-L131 PolarHBondContact O-N 3.38Å; L131-L134 PolarHBondContact O-N 2.9Å; L131-H135 WeakPolarHBondContact O-CB 3.38Å; L131-H135 PolarHBondContact O-CD2 2.74Å; L131-H135 PolarHBondContact O-N 2.86Å; L131-H141 HydrophobicContact CD2-CB 4.25Å; L131-V144 HydrophobicContact CD1-CG1 4.24Å; L131-V144 HydrophobicContact CD1-CG2 4.26Å; L131-V144 HydrophobicContact CD2-CG2 3.74Å; L131-F149 HydrophobicContact CD1-CZ 4.24Å; L131-F149 HydrophobicContact CD2-CZ 4.39Å; L131-F149 HydrophobicContact CG-CE1 4.46Å; L131-F149 HydrophobicContact CG-CZ 4.28Å; L131-W203 HydrophobicContact CD1-CB 3.78Å; L131-W203 HydrophobicContact CD1-CG 4.14Å
132E96.5Very high93.2Very high82 Ų8233.4 Ų33.438%0.38316%0.157SC..Hα-helixtrans-60-45.7174.6-171-165.8179.500111.2R77 L128 E129 G130 L134 H135 K136R77-E132 IonicContact CZ-OE2 3.5Å; R77-E132 IonicContact NH1-OE2 3.15Å; R77-E132 IonicContact NH2-OE2 3.33Å; R77-E132 PolarHBondContact NH2-OE2 2.84Å; L128-E132 WeakPolarHBondContact O-CB 3.39Å; L128-E132 PolarHBondContact O-N 3.3Å; E129-E132 WeakPolarHBondContact O-CB 3.27Å; E129-E132 PolarHBondContact O-N 3.45Å; G130-E132 VanDerWaalsContact C-N 3.34Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 2.99Å; E132-H135 PolarHBondContact O-N 3.42Å; E132-K136 VanDerWaalsContact CD-NZ 3.25Å; E132-K136 HydrophobicContact CG-CD 4.41Å; E132-K136 WeakPolarHBondContact O-CG 3.16Å; E132-K136 PolarHBondContact O-N 3.31Å; E132-K136 WeakPolarHBondContact OE1-CE 3.44Å; E132-K136 IonicContact OE1-NZ 3.42Å; E132-K136 PolarHBondContact OE1-NZ 3.05Å; E132-K136 IonicContact OE2-NZ 2.8Å
133D95.4Very high93.6Very high17 Ų1731.6 Ų31.69%0.09115%0.153CC..Hα-helixtrans-63.7-40.3178.1-68.8-13.4000111.5A76 R77 E129 G130 K136 A137A76-D133 HydrophobicContact CB-CB 3.82Å; R77-D133 WeakPolarHBondContact CB-OD2 3.5Å; R77-D133 IonicContact CZ-OD1 2.81Å; R77-D133 IonicContact CZ-OD2 2.68Å; R77-D133 PolarHBondContact N-OD2 2.73Å; R77-D133 IonicContact NE-OD1 3.57Å; R77-D133 PolarHBondContact NE-OD1 3.02Å; R77-D133 IonicContact NE-OD2 3.73Å; R77-D133 PolarHBondContact NE-OD2 2.88Å; R77-D133 IonicContact NH2-OD1 3.02Å; R77-D133 PolarHBondContact NH2-OD1 2.86Å; R77-D133 IonicContact NH2-OD2 2.67Å; E129-D133 PolarHBondContact O-N 2.91Å; G130-D133 PolarHBondContact O-N 3.14Å; D133-K136 PolarHBondContact O-N 3.48Å; D133-A137 WeakPolarHBondContact O-CB 3.44Å; D133-A137 PolarHBondContact O-N 3.09Å
134L97Very high94Very high0 Ų031.8 Ų31.80%015%0.153CC..Hα-helixtrans-61-43.1172.4-174.170.3000112.5V67 L71 G130 L131 E132 A137 K138 Y139 H141 F165V67-L134 HydrophobicContact CG1-CD1 3.57Å; L71-L134 HydrophobicContact CD1-CD1 3.97Å; G130-L134 PolarHBondContact O-N 2.65Å; G130-L134 VanDerWaalsContact O-N 3.08Å; L131-L134 PolarHBondContact O-N 2.9Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 2.99Å; L134-A137 CarbonylContact O-C 3.46Å; L134-A137 WeakPolarHBondContact O-CB 3.27Å; L134-A137 PolarHBondContact O-N 2.78Å; L134-K138 PolarHBondContact O-N 2.8Å; L134-Y139 CarbonylContact C-O 3.48Å; L134-Y139 HydrophobicContact CD1-CG 4.42Å; L134-Y139 PolarHBondContact O-N 2.82Å; L134-H141 HydrophobicContact CD2-CB 3.57Å; L134-F165 HydrophobicContact CD1-CD1 3.89Å; L134-F165 HydrophobicContact CD1-CE1 3.86Å; L134-F165 HydrophobicContact CD2-CD1 4.34Å; L134-F165 HydrophobicContact CD2-CE1 4.27Å
135H95Very high94.2Very high22 Ų2234.9 Ų34.910%0.10217%0.167CC..Hα-helixtrans-67.9-38.2179.1-68.4-177.6000111.8L131 E132 A137 K138 Y139 F171 R196 D199L131-H135 WeakPolarHBondContact O-CB 3.38Å; L131-H135 PolarHBondContact O-CD2 2.74Å; L131-H135 PolarHBondContact O-N 2.86Å; E132-H135 PolarHBondContact O-N 3.42Å; H135-A137 VanDerWaalsContact C-N 3.31Å; H135-K138 WeakPolarHBondContact O-CA 3.21Å; H135-K138 PolarHBondContact O-N 3.44Å; H135-Y139 WeakPolarHBondContact CA-O 3.37Å; H135-Y139 PolarHBondContact CD2-O 2.77Å; H135-F171 WeakPolarHBondContact O-CE1 3.35Å; H135-F171 WeakPolarHBondContact O-CZ 3.33Å; H135-R196 HydrophobicContact CB-CG 4.27Å; H135-D199 IonicContact CD2-OD2 2.78Å; H135-D199 IonicContact CE1-OD2 4Å; H135-D199 IonicContact NE2-OD2 3.48Å; H135-D199 PolarHBondContact NE2-OD2 2.79Å
136K93.1Very high94.2Very high133 Ų13330.9 Ų30.958%0.57815%0.147SC*.Hα-helixtrans-64.3-36.6171.8-75.5173.7-177.41640111.8E132 D133 K138E132-K136 VanDerWaalsContact CD-NZ 3.25Å; E132-K136 HydrophobicContact CG-CD 4.41Å; E132-K136 WeakPolarHBondContact O-CG 3.16Å; E132-K136 PolarHBondContact O-N 3.31Å; E132-K136 WeakPolarHBondContact OE1-CE 3.44Å; E132-K136 IonicContact OE1-NZ 3.42Å; E132-K136 PolarHBondContact OE1-NZ 3.05Å; E132-K136 IonicContact OE2-NZ 2.8Å; D133-K136 PolarHBondContact O-N 3.48Å; K136-K138 PolarHBondContact O-N 2.74Å; K136-K138 VanDerWaalsContact O-N 3.09Å
137A93.8Very high94.2Very high16 Ų1634 Ų3413%0.13216%0.16CC..THydrogen-bonded Turntrans-70.97.3170.700000113.5L71 D133 L134 H135 Y139L71-A137 HydrophobicContact CD2-CB 3.76Å; L71-A137 HydrophobicContact CG-CB 4.45Å; D133-A137 WeakPolarHBondContact O-CB 3.44Å; D133-A137 PolarHBondContact O-N 3.09Å; L134-A137 CarbonylContact O-C 3.46Å; L134-A137 WeakPolarHBondContact O-CB 3.27Å; L134-A137 PolarHBondContact O-N 2.78Å; H135-A137 VanDerWaalsContact C-N 3.31Å; A137-Y139 HydrophobicContact CB-CD2 4.18Å; A137-Y139 WeakPolarHBondContact O-CD2 3.37Å; A137-Y139 WeakPolarHBondContact O-CE2 3.46Å
138K94.7Very high94.3Very high56 Ų5634.4 Ų34.424%0.24316%0.163CC..THydrogen-bonded Turntrans7516.1175.6-49.4165.7-178.2162.50114.5L134 H135 K136 R170 F171 L172 D174L134-K138 PolarHBondContact O-N 2.8Å; H135-K138 WeakPolarHBondContact O-CA 3.21Å; H135-K138 PolarHBondContact O-N 3.44Å; K136-K138 PolarHBondContact O-N 2.74Å; K136-K138 VanDerWaalsContact O-N 3.09Å; K138-R170 HydrophobicContact CB-CG 4.12Å; K138-R170 CarbonylContact O-C 3.54Å; K138-R170 VanDerWaalsContact O-CA 3.25Å; K138-R170 WeakPolarHBondContact O-CA 3.48Å; K138-R170 WeakPolarHBondContact O-CG 3.4Å; K138-F171 WeakPolarHBondContact O-CD1 3.5Å; K138-F171 WeakPolarHBondContact O-CE1 3.45Å; K138-F171 PolarHBondContact O-N 3.29Å; K138-L172 HydrophobicContact CB-CB 3.94Å; K138-L172 HydrophobicContact CD-CB 4.32Å; K138-L172 HydrophobicContact CG-CB 3.98Å; K138-L172 HydrophobicContact CG-CD1 4.19Å; K138-D174 IonicContact NZ-OD1 2.9Å; K138-D174 PolarHBondContact NZ-OD1 2.68Å
139Y95.4Very high94.3Very high2 Ų231.8 Ų31.81%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-110.3148.8179.1-66.4-87.7000112.8L63 Q66 V67 E70 L134 H135 A137 A168 R169 R170L63-Y139 HydrophobicContact CD1-CE1 4.45Å; Q66-Y139 PolarHBondContact NE2-OH 2.73Å; V67-Y139 HydrophobicContact CG1-CD2 4.43Å; V67-Y139 HydrophobicContact CG1-CG 4.48Å; V67-Y139 HydrophobicContact CG2-CD1 3.66Å; V67-Y139 HydrophobicContact CG2-CD2 4.27Å; V67-Y139 HydrophobicContact CG2-CE1 3.56Å; V67-Y139 HydrophobicContact CG2-CE2 4.21Å; V67-Y139 HydrophobicContact CG2-CG 4.04Å; E70-Y139 PolarHBondContact OE1-OH 3.4Å; L134-Y139 CarbonylContact C-O 3.48Å; L134-Y139 HydrophobicContact CD1-CG 4.42Å; L134-Y139 PolarHBondContact O-N 2.82Å; H135-Y139 WeakPolarHBondContact CA-O 3.37Å; H135-Y139 PolarHBondContact CD2-O 2.77Å; A137-Y139 HydrophobicContact CB-CD2 4.18Å; A137-Y139 WeakPolarHBondContact O-CD2 3.37Å; A137-Y139 WeakPolarHBondContact O-CE2 3.46Å; Y139-A168 HydrophobicContact CD1-CB 4.5Å; Y139-R169 CarbonylContact C-O 3.58Å; Y139-R169 WeakPolarHBondContact CA-O 3.49Å; Y139-R170 HydrophobicContact CD1-CB 4.05Å; Y139-R170 HydrophobicContact CD1-CG 4.4Å; Y139-R170 HydrophobicContact CE1-CB 3.73Å; Y139-R170 HydrophobicContact CE1-CG 4.02Å
140V93.2Very high94.4Very high1 Ų129.5 Ų29.51%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-105.9136.6162.8-177.70000106.9R142 A168 R169 F171 S195 R196 D199V140-R142 HydrophobicContact CB-CG 4.12Å; V140-R142 HydrophobicContact CG1-CG 3.65Å; V140-A168 CarbonylContact O-C 3.57Å; V140-A168 WeakPolarHBondContact O-CA 3.5Å; V140-R169 PolarHBondContact N-O 2.81Å; V140-R169 PolarHBondContact O-N 3.47Å; V140-F171 HydrophobicContact CG2-CB 3.93Å; V140-F171 HydrophobicContact CG2-CD1 3.57Å; V140-F171 HydrophobicContact CG2-CE1 4.37Å; V140-F171 HydrophobicContact CG2-CG 3.91Å; V140-S195 VanDerWaalsContact CG1-C 3.43Å; V140-S195 WeakPolarHBondContact CG1-O 3.33Å; V140-R196 HydrophobicContact CG2-CG 3.94Å; V140-D199 WeakPolarHBondContact CA-OD2 3.25Å; V140-D199 WeakPolarHBondContact CG1-OD1 3.26Å; V140-D199 VanDerWaalsContact CG1-OD2 3.28Å; V140-D199 WeakPolarHBondContact CG1-OD2 3.43Å
141H94.1Very high94.3Very high0 Ų030.6 Ų30.60%015%0.146CC..  trans-71.5-48.5-177.7-170.2-43000112.4L131 L134 D143 V144 L163 D164 T167 A168 D199L131-H141 HydrophobicContact CD2-CB 4.25Å; L134-H141 HydrophobicContact CD2-CB 3.57Å; H141-D143 VanDerWaalsContact C-N 3.26Å; H141-D143 PolarHBondContact CE1-O 2.85Å; H141-D143 PolarHBondContact ND1-N 2.79Å; H141-D143 PolarHBondContact O-N 3.04Å; H141-V144 HydrophobicContact CB-CG2 3.77Å; H141-L163 PolarHBondContact NE2-O 3.39Å; H141-L163 VanDerWaalsContact NE2-O 3.08Å; H141-D164 PolarHBondContact CE1-O 2.76Å; H141-T167 CarbonylContact O-C 3.5Å; H141-T167 PolarHBondContact O-OG1 2.81Å; H141-A168 WeakPolarHBondContact O-CA 3.49Å; H141-A168 PolarHBondContact O-N 3.07Å; H141-D199 WeakPolarHBondContact CB-OD1 3.33Å; H141-D199 PolarHBondContact N-OD1 3.03Å; H141-D199 PolarHBondContact N-OD2 3.04Å
142R91.3Very high93.9Very high53 Ų5330.8 Ų30.820%0.215%0.148CC..SBendtrans66.99.3179.2-50.9-169.2-65.3148.90.3117.2V140 T167 Q194 D199V140-R142 HydrophobicContact CB-CG 4.12Å; V140-R142 HydrophobicContact CG1-CG 3.65Å; R142-T167 PolarHBondContact NE-O 3.26Å; R142-T167 PolarHBondContact NH2-O 2.88Å; R142-Q194 HydrophobicContact CB-CB 4.46Å; R142-Q194 HydrophobicContact CG-CB 3.84Å; R142-Q194 PolarHBondContact O-OE1 2.99Å; R142-D199 PolarHBondContact N-OD1 2.8Å
143D91Very high93.4Very high44 Ų4431.1 Ų31.124%0.23515%0.149CC..  trans-15145.2176-171.133.2000110.9H141 K145 N148 T167H141-D143 VanDerWaalsContact C-N 3.26Å; H141-D143 PolarHBondContact CE1-O 2.85Å; H141-D143 PolarHBondContact ND1-N 2.79Å; H141-D143 PolarHBondContact O-N 3.04Å; D143-K145 PolarHBondContact O-N 3.46Å; D143-K145 IonicContact OD1-NZ 2.71Å; D143-K145 PolarHBondContact OD1-NZ 2.62Å; D143-K145 WeakPolarHBondContact OD2-CE 3.41Å; D143-K145 IonicContact OD2-NZ 3.81Å; D143-K145 PolarHBondContact OD2-NZ 2.85Å; D143-N148 PolarHBondContact O-ND2 3.27Å; D143-N148 PolarHBondContact OD2-ND2 3.24Å; D143-N148 VanDerWaalsContact OD2-ND2 3.15Å; D143-T167 HydrophobicContact CB-CG2 4.19Å; D143-T167 WeakPolarHBondContact CB-OG1 3.27Å
144V93.9Very high92.8Very high11 Ų1133 Ų337%0.06717%0.173CC..  trans-73.6116.5-179.1172.50000109.7L131 H141 F149 D199 S202 W203 V206L131-V144 HydrophobicContact CD1-CG1 4.24Å; L131-V144 HydrophobicContact CD1-CG2 4.26Å; L131-V144 HydrophobicContact CD2-CG2 3.74Å; H141-V144 HydrophobicContact CB-CG2 3.77Å; V144-F149 HydrophobicContact CG1-CE2 3.69Å; V144-F149 HydrophobicContact CG1-CZ 3.82Å; V144-D199 HydrophobicContact CG2-CB 3.93Å; V144-S202 WeakPolarHBondContact O-CB 3.32Å; V144-W203 HydrophobicContact CG1-CB 4.11Å; V144-V206 HydrophobicContact CG1-CG2 4.29Å
145K92.9Very high91.9Very high68 Ų6838.5 Ų38.530%0.29621%0.211SC..SBendtrans-158.8163.2-178.361.8-171.5177-148.40110.5D143 Q147 N148 F149D143-K145 PolarHBondContact O-N 3.46Å; D143-K145 IonicContact OD1-NZ 2.71Å; D143-K145 PolarHBondContact OD1-NZ 2.62Å; D143-K145 WeakPolarHBondContact OD2-CE 3.41Å; D143-K145 IonicContact OD2-NZ 3.81Å; D143-K145 PolarHBondContact OD2-NZ 2.85Å; K145-Q147 HydrophobicContact CG-CB 4.31Å; K145-Q147 VanDerWaalsContact CG-OE1 3.27Å; K145-Q147 PolarHBondContact O-N 3.39Å; K145-Q147 VanDerWaalsContact O-N 3.11Å; K145-N148 WeakPolarHBondContact CE-ND2 3.2Å; K145-N148 HydrophobicContact CG-CB 4.28Å; K145-N148 PolarHBondContact O-N 3.19Å; K145-F149 WeakPolarHBondContact O-CD2 3.28Å
146P91.5Very high91.4Very high13 Ų1341 Ų418%0.08423%0.225CC..G310 helixtrans-59.2-27.2-175.1-22.532.9000114.5F103 E104 N148 F149 V206 R209F103-P146 HydrophobicContact CB-CB 3.97Å; F103-P146 WeakPolarHBondContact CB-O 3.09Å; F103-P146 PolarHBondContact N-O 3.34Å; E104-P146 HydrophobicContact CB-CB 4.13Å; E104-P146 PolarHBondContact N-O 2.69Å; E104-P146 WeakPolarHBondContact OE2-CB 3.27Å; P146-N148 PolarHBondContact O-N 2.76Å; P146-F149 PolarHBondContact O-N 3.05Å; P146-V206 HydrophobicContact CG-CG1 4.37Å; P146-V206 HydrophobicContact CG-CG2 4.23Å; P146-R209 HydrophobicContact CG-CB 4.43Å; P146-R209 HydrophobicContact CG-CG 3.88Å
147Q92.9Very high91Very high85 Ų8541 Ų4140%0.39722%0.222SC..G310 helixtrans-66.8-26.1176.2-62.180.5-000112.8E104 K145 F149E104-Q147 HydrophobicContact CB-CG 3.9Å; E104-Q147 HydrophobicContact CG-CG 4.23Å; K145-Q147 HydrophobicContact CG-CB 4.31Å; K145-Q147 VanDerWaalsContact CG-OE1 3.27Å; K145-Q147 PolarHBondContact O-N 3.39Å; K145-Q147 VanDerWaalsContact O-N 3.11Å; Q147-F149 VanDerWaalsContact C-N 3.34Å
148N95.9Very high90.6Very high10 Ų1046.3 Ų46.35%0.05324%0.239CC..G310 helixtrans-95.913.5-175.6-70.1-3.1000112.7D143 K145 P146 L163D143-N148 PolarHBondContact O-ND2 3.27Å; D143-N148 PolarHBondContact OD2-ND2 3.24Å; D143-N148 VanDerWaalsContact OD2-ND2 3.15Å; K145-N148 WeakPolarHBondContact CE-ND2 3.2Å; K145-N148 HydrophobicContact CG-CB 4.28Å; K145-N148 PolarHBondContact O-N 3.19Å; P146-N148 PolarHBondContact O-N 2.76Å; N148-L163 PolarHBondContact O-N 2.87Å
149F96.5Very high90.3Very high0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-127.6129.8168.5-62.1-78.5000109.6S102 F103 A127 L131 V144 K145 P146 Q147 V160 Y161 V162 V206S102-F149 CarbonylContact C-O 3.26Å; S102-F149 WeakPolarHBondContact CA-O 3.45Å; S102-F149 WeakPolarHBondContact CB-O 3.08Å; F103-F149 HydrophobicContact CD1-CB 4.16Å; F103-F149 HydrophobicContact CD2-CB 3.53Å; F103-F149 HydrophobicContact CD2-CD2 4.26Å; F103-F149 HydrophobicContact CD2-CG 4.17Å; F103-F149 HydrophobicContact CE1-CB 4.13Å; F103-F149 HydrophobicContact CE2-CB 3.49Å; F103-F149 VanDerWaalsContact CE2-CB 3.49Å; F103-F149 HydrophobicContact CE2-CD2 4.31Å; F103-F149 AromaticContact CE2-CG 3.94Å; F103-F149 HydrophobicContact CE2-CG 3.94Å; F103-F149 HydrophobicContact CG-CB 3.88Å; F103-F149 HydrophobicContact CZ-CB 3.8Å; F103-F149 PolarHBondContact N-O 3.05Å; A127-F149 HydrophobicContact CB-CD1 3.6Å; A127-F149 HydrophobicContact CB-CE1 3.54Å; A127-F149 HydrophobicContact CB-CG 4.16Å; A127-F149 HydrophobicContact CB-CZ 4.06Å; L131-F149 HydrophobicContact CD1-CZ 4.24Å; L131-F149 HydrophobicContact CD2-CZ 4.39Å; L131-F149 HydrophobicContact CG-CE1 4.46Å; L131-F149 HydrophobicContact CG-CZ 4.28Å; V144-F149 HydrophobicContact CG1-CE2 3.69Å; V144-F149 HydrophobicContact CG1-CZ 3.82Å; K145-F149 WeakPolarHBondContact O-CD2 3.28Å; P146-F149 PolarHBondContact O-N 3.05Å; Q147-F149 VanDerWaalsContact C-N 3.34Å; F149-V160 HydrophobicContact CB-CG1 4.3Å; F149-V160 HydrophobicContact CD1-CG1 4.29Å; F149-Y161 WeakPolarHBondContact CA-O 3.42Å; F149-V162 HydrophobicContact CD1-CG2 4.08Å; F149-V162 HydrophobicContact CE1-CB 4.36Å; F149-V162 HydrophobicContact CE1-CG1 4.16Å; F149-V162 HydrophobicContact CE1-CG2 3.76Å; F149-V206 HydrophobicContact CD2-CG1 4.43Å; F149-V206 HydrophobicContact CE2-CG2 4.19Å
150S95.9Very high90.2Very high6 Ų646.5 Ų46.54%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-125.8150.5176-74.60000112.2G100 P101 S102 V160 Y161 L163G100-S150 WeakPolarHBondContact O-CB 3.33Å; G100-S150 PolarHBondContact O-OG 2.84Å; P101-S150 WeakPolarHBondContact O-CA 3.49Å; S102-S150 VanDerWaalsContact CA-OG 3.29Å; S102-S150 WeakPolarHBondContact CA-OG 3.47Å; S102-S150 PolarHBondContact N-OG 3.23Å; S150-V160 CarbonylContact O-C 3.49Å; S150-V160 VanDerWaalsContact O-CA 3.32Å; S150-V160 WeakPolarHBondContact O-CA 3.37Å; S150-Y161 PolarHBondContact N-O 3.17Å; S150-Y161 PolarHBondContact O-N 2.86Å; S150-L163 VanDerWaalsContact OG-CD1 3.25Å; S150-L163 WeakPolarHBondContact OG-CD1 3.31Å
151V93Very high90.4Very high24 Ų2447.4 Ų47.415%0.14525%0.246CC..EExtended strand (participates in β ladder)trans-77.7159.2167.8-63.80000110.9G100 P101 F103 L106 N159G100-V151 WeakPolarHBondContact CA-O 3.44Å; G100-V151 PolarHBondContact N-O 3.36Å; P101-V151 HydrophobicContact CG-CG2 3.88Å; P101-V151 PolarHBondContact O-N 3.4Å; P101-V151 VanDerWaalsContact O-N 3.14Å; F103-V151 HydrophobicContact CE1-CG1 4.23Å; L106-V151 HydrophobicContact CD1-CG1 3.7Å; L106-V151 HydrophobicContact CD1-CG2 4.17Å; V151-N159 CarbonylContact C-O 3.59Å; V151-N159 VanDerWaalsContact CA-O 3.24Å; V151-N159 WeakPolarHBondContact CA-O 3.04Å
152G89.7Confident90.5Very high4 Ų447.4 Ų47.44%0.04125%0.247CC..PPolyproline II helixtrans-68.816717300000113.8L156 Y157 N159G152-L156 VanDerWaalsContact CA-O 3.25Å; G152-L156 WeakPolarHBondContact CA-O 3.2Å; G152-L156 PolarHBondContact N-O 2.82Å; G152-Y157 WeakPolarHBondContact O-CA 3.44Å; G152-N159 PolarHBondContact N-O 2.91Å
153E86.2Confident90.6Very high88 Ų8846.5 Ų46.541%0.41125%0.246SC..SBendtrans-92150.6174.7-168.8179.7-146.400111.4L98 S155 L156L98-E153 WeakPolarHBondContact CD2-OE2 3.46Å; E153-S155 PolarHBondContact O-N 2.71Å; E153-L156 WeakPolarHBondContact O-CB 3.19Å; E153-L156 PolarHBondContact O-N 2.93Å
154G81.7Confident90.6Very high58 Ų5847 Ų4760%0.59825%0.248SC*.G310 helixtrans59.1-124.5170.700000112.6L156 Y157G154-L156 PolarHBondContact O-N 2.89Å; G154-Y157 VanDerWaalsContact O-CD1 3.31Å; G154-Y157 WeakPolarHBondContact O-CD1 3.26Å; G154-Y157 PolarHBondContact O-N 3.15Å
155S79.4Confident90.6Very high114 Ų11446.9 Ų46.980%0.79725%0.247SC*.G310 helixtrans-66.8-15.7178.155.40000113.8E153 Y157E153-S155 PolarHBondContact O-N 2.71Å; S155-Y157 VanDerWaalsContact C-N 3.34Å
156L84.5Confident90.4Very high76 Ų7644.1 Ų44.140%0.39824%0.238SC..G310 helixtrans-91.18.6179.7-57.2176.1000112.9G152 E153 G154 R158 N159G152-L156 VanDerWaalsContact CA-O 3.25Å; G152-L156 WeakPolarHBondContact CA-O 3.2Å; G152-L156 PolarHBondContact N-O 2.82Å; E153-L156 WeakPolarHBondContact O-CB 3.19Å; E153-L156 PolarHBondContact O-N 2.93Å; G154-L156 PolarHBondContact O-N 2.89Å; L156-R158 PolarHBondContact O-N 3.05Å; L156-N159 WeakPolarHBondContact O-CB 3.37Å; L156-N159 PolarHBondContact O-N 2.65Å
157Y83.7Confident90.1Very high131 Ų13145.9 Ų45.951%0.51425%0.248SC..THydrogen-bonded Turntrans-56.1-17.8-178.278.4-84.8000114.9G152 G154 S155G152-Y157 WeakPolarHBondContact O-CA 3.44Å; G154-Y157 VanDerWaalsContact O-CD1 3.31Å; G154-Y157 WeakPolarHBondContact O-CD1 3.26Å; G154-Y157 PolarHBondContact O-N 3.15Å; S155-Y157 VanDerWaalsContact C-N 3.34Å
158R85.3Confident90.1Very high128 Ų12841.9 Ų41.948%0.48323%0.23SC..THydrogen-bonded Turntrans-85.1-6.2175.5-71.3-170.6171.1-107.30.1114.1Y122 L126 L156Y122-R158 VanDerWaalsContact CE1-O 3.25Å; Y122-R158 WeakPolarHBondContact CE1-O 3Å; Y122-R158 PolarHBondContact OH-O 3.2Å; L126-R158 WeakPolarHBondContact CD1-O 3.45Å; L156-R158 PolarHBondContact O-N 3.05Å
159N88.6Confident89.8Confident61 Ų6144.6 Ų44.633%0.32624%0.239SC..  trans-93.3152.2175.7-64.310.2000109.7V151 G152 L156 Y161V151-N159 CarbonylContact C-O 3.59Å; V151-N159 VanDerWaalsContact CA-O 3.24Å; V151-N159 WeakPolarHBondContact CA-O 3.04Å; G152-N159 PolarHBondContact N-O 2.91Å; L156-N159 WeakPolarHBondContact O-CB 3.37Å; L156-N159 PolarHBondContact O-N 2.65Å; N159-Y161 HydrophobicContact CB-CE2 3.79Å
160V92.8Very high89.6Confident2 Ų247.1 Ų47.11%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-119.6141.3172.5171.90000108.7N78 F103 L126 A127 F149 S150N78-V160 WeakPolarHBondContact CA-O 3.25Å; N78-V160 WeakPolarHBondContact CB-O 2.95Å; N78-V160 PolarHBondContact ND2-O 3.43Å; F103-V160 HydrophobicContact CE1-CG1 3.95Å; F103-V160 HydrophobicContact CE1-CG2 3.85Å; F103-V160 HydrophobicContact CE2-CG1 4.41Å; F103-V160 HydrophobicContact CZ-CB 4.28Å; F103-V160 HydrophobicContact CZ-CG1 3.48Å; F103-V160 VanDerWaalsContact CZ-CG1 3.48Å; F103-V160 HydrophobicContact CZ-CG2 3.74Å; L126-V160 HydrophobicContact CB-CB 3.64Å; L126-V160 HydrophobicContact CB-CG2 3.8Å; L126-V160 HydrophobicContact CD1-CB 4.31Å; L126-V160 HydrophobicContact CD1-CG2 3.93Å; L126-V160 HydrophobicContact CG-CG2 4.48Å; A127-V160 HydrophobicContact CB-CG1 4.24Å; F149-V160 HydrophobicContact CB-CG1 4.3Å; F149-V160 HydrophobicContact CD1-CG1 4.29Å; S150-V160 CarbonylContact O-C 3.49Å; S150-V160 VanDerWaalsContact O-CA 3.32Å; S150-V160 WeakPolarHBondContact O-CA 3.37Å
161Y97.2Very high89.4Confident19 Ų1947.9 Ų47.98%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-122.1128.1-178.4-63.4-88.6000110.1N78 V99 F149 S150 N159N78-Y161 CarbonylContact O-C 3.51Å; N78-Y161 WeakPolarHBondContact O-CA 3.34Å; V99-Y161 HydrophobicContact CB-CD2 4.32Å; V99-Y161 HydrophobicContact CG1-CD1 4.17Å; V99-Y161 HydrophobicContact CG1-CD2 3.55Å; V99-Y161 HydrophobicContact CG1-CE2 4.07Å; V99-Y161 HydrophobicContact CG1-CG 3.62Å; F149-Y161 WeakPolarHBondContact CA-O 3.42Å; S150-Y161 PolarHBondContact N-O 3.17Å; S150-Y161 PolarHBondContact O-N 2.86Å; N159-Y161 HydrophobicContact CB-CE2 3.79Å
162V96.8Very high89.2Confident1 Ų148.2 Ų48.21%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-76.4131.1167.2-168.30000108.8N78 F149 F165N78-V162 PolarHBondContact O-N 2.86Å; F149-V162 HydrophobicContact CD1-CG2 4.08Å; F149-V162 HydrophobicContact CE1-CB 4.36Å; F149-V162 HydrophobicContact CE1-CG1 4.16Å; F149-V162 HydrophobicContact CE1-CG2 3.76Å; V162-F165 HydrophobicContact CB-CE1 4.39Å; V162-F165 HydrophobicContact CB-CZ 4.27Å; V162-F165 HydrophobicContact CG1-CE1 3.91Å; V162-F165 HydrophobicContact CG1-CZ 4.23Å
163L93.8Very high89.1Confident34 Ų3451.8 Ų51.818%0.17827%0.266CS..  trans-121.3166.2-176.7-54.1-176.7000110.9V99 H141 N148 S150V99-L163 HydrophobicContact CG2-CD1 4.19Å; V99-L163 HydrophobicContact CG2-CD2 4.22Å; H141-L163 PolarHBondContact NE2-O 3.39Å; H141-L163 VanDerWaalsContact NE2-O 3.08Å; N148-L163 PolarHBondContact O-N 2.87Å; S150-L163 VanDerWaalsContact OG-CD1 3.25Å; S150-L163 WeakPolarHBondContact OG-CD1 3.31Å
164D90.8Very high89.1Confident55 Ų5553 Ų5329%0.29428%0.276SS..  trans56.982.6172.4-163-4.3000115.5K48 H141 G166K48-D164 IonicContact NZ-OD1 2.89Å; H141-D164 PolarHBondContact CE1-O 2.76Å; D164-G166 VanDerWaalsContact C-N 3.28Å; D164-G166 PolarHBondContact O-N 2.81Å; D164-G166 PolarHBondContact OD1-N 2.92Å; D164-G166 VanDerWaalsContact OD1-N 3.09Å
165F93.4Very high89.4Confident7 Ų755 Ų553%0.03127%0.273CS..  trans-90.414.2174.7-51.4-71.4000112.7E64 V67 L68 L71 L134 V162 T167 A168E64-F165 VanDerWaalsContact CG-C 3.49Å; E64-F165 HydrophobicContact CG-CB 4.09Å; V67-F165 HydrophobicContact CB-CB 4.03Å; V67-F165 HydrophobicContact CB-CG 4.21Å; V67-F165 HydrophobicContact CG1-CB 3.91Å; V67-F165 HydrophobicContact CG1-CD1 3.78Å; V67-F165 HydrophobicContact CG1-CD2 4.15Å; V67-F165 HydrophobicContact CG1-CE1 4.36Å; V67-F165 HydrophobicContact CG1-CG 3.64Å; V67-F165 HydrophobicContact CG2-CB 4.37Å; L68-F165 HydrophobicContact CD1-CD2 4.4Å; L68-F165 HydrophobicContact CD1-CE2 3.7Å; L68-F165 HydrophobicContact CD1-CZ 4.5Å; L71-F165 HydrophobicContact CD1-CE1 4.15Å; L71-F165 HydrophobicContact CD1-CE2 4.34Å; L71-F165 HydrophobicContact CD1-CZ 3.89Å; L134-F165 HydrophobicContact CD1-CD1 3.89Å; L134-F165 HydrophobicContact CD1-CE1 3.86Å; L134-F165 HydrophobicContact CD2-CD1 4.34Å; L134-F165 HydrophobicContact CD2-CE1 4.27Å; V162-F165 HydrophobicContact CB-CE1 4.39Å; V162-F165 HydrophobicContact CB-CZ 4.27Å; V162-F165 HydrophobicContact CG1-CE1 3.91Å; V162-F165 HydrophobicContact CG1-CZ 4.23Å; F165-T167 PolarHBondContact O-N 3.33Å; F165-T167 VanDerWaalsContact O-N 3.14Å; F165-A168 HydrophobicContact CB-CB 3.94Å; F165-A168 WeakPolarHBondContact O-CB 3.34Å; F165-A168 PolarHBondContact O-N 3.39Å
166G87.9Confident89.5Confident10 Ų1052 Ų5210%0.10326%0.259CS..THydrogen-bonded Turntrans-63.4-23.9-174.600000113T60 E64 D164T60-G166 WeakPolarHBondContact CG2-O 3.31Å; E64-G166 VanDerWaalsContact CG-N 3.31Å; D164-G166 VanDerWaalsContact C-N 3.28Å; D164-G166 PolarHBondContact O-N 2.81Å; D164-G166 PolarHBondContact OD1-N 2.92Å; D164-G166 VanDerWaalsContact OD1-N 3.09Å
167T87.2Confident89.3Confident50 Ų5053.8 Ų53.831%0.30727%0.266SS..THydrogen-bonded Turntrans-101.40.4174.560.30000112.9H141 R142 D143 F165H141-T167 CarbonylContact O-C 3.5Å; H141-T167 PolarHBondContact O-OG1 2.81Å; R142-T167 PolarHBondContact NE-O 3.26Å; R142-T167 PolarHBondContact NH2-O 2.88Å; D143-T167 HydrophobicContact CB-CG2 4.19Å; D143-T167 WeakPolarHBondContact CB-OG1 3.27Å; F165-T167 PolarHBondContact O-N 3.33Å; F165-T167 VanDerWaalsContact O-N 3.14Å
168A91.8Very high89.3Confident1 Ų152.6 Ų52.61%0.00827%0.265CS..  trans-60.8157.3-177.900000111.6L63 V67 Y139 V140 H141 F165L63-A168 WeakPolarHBondContact CD2-O 3.34Å; V67-A168 HydrophobicContact CG2-CB 4.18Å; Y139-A168 HydrophobicContact CD1-CB 4.5Å; V140-A168 CarbonylContact O-C 3.57Å; V140-A168 WeakPolarHBondContact O-CA 3.5Å; H141-A168 WeakPolarHBondContact O-CA 3.49Å; H141-A168 PolarHBondContact O-N 3.07Å; F165-A168 HydrophobicContact CB-CB 3.94Å; F165-A168 WeakPolarHBondContact O-CB 3.34Å; F165-A168 PolarHBondContact O-N 3.39Å
169R90.1Very high89Confident67 Ų6750 Ų5025%0.25326%0.258SS..EExtended strand (participates in β ladder)trans-147.8134.2174.7-172168.1-167.7-154.50112.4Y139 V140 F171 R182 E193Y139-R169 CarbonylContact C-O 3.58Å; Y139-R169 WeakPolarHBondContact CA-O 3.49Å; V140-R169 PolarHBondContact N-O 2.81Å; V140-R169 PolarHBondContact O-N 3.47Å; R169-F171 PolarHBondContact O-N 2.92Å; R169-R182 VanDerWaalsContact CZ-CZ 3.45Å; R169-E193 IonicContact CZ-OE1 3.67Å; R169-E193 IonicContact CZ-OE2 2.7Å; R169-E193 IonicContact NH1-OE1 2.74Å; R169-E193 PolarHBondContact NH1-OE1 2.98Å; R169-E193 IonicContact NH1-OE2 3.19Å; R169-E193 PolarHBondContact NH1-OE2 2.94Å
170R92.6Very high88.1Confident53 Ų5357.9 Ų57.920%0.228%0.283CS..EExtended strand (participates in β ladder)trans-66.8120.5173.1-150.3-172-160.5-149.45.1110.3K138 Y139 L172 D174 H179K138-R170 HydrophobicContact CB-CG 4.12Å; K138-R170 CarbonylContact O-C 3.54Å; K138-R170 VanDerWaalsContact O-CA 3.25Å; K138-R170 WeakPolarHBondContact O-CA 3.48Å; K138-R170 WeakPolarHBondContact O-CG 3.4Å; Y139-R170 HydrophobicContact CD1-CB 4.05Å; Y139-R170 HydrophobicContact CD1-CG 4.4Å; Y139-R170 HydrophobicContact CE1-CB 3.73Å; Y139-R170 HydrophobicContact CE1-CG 4.02Å; R170-L172 VanDerWaalsContact CD-O 3.32Å; R170-L172 WeakPolarHBondContact CD-O 3.46Å; R170-L172 WeakPolarHBondContact CG-O 3.32Å; R170-L172 PolarHBondContact NE-O 3.27Å; R170-D174 IonicContact CZ-OD1 2.62Å; R170-D174 IonicContact CZ-OD2 3.45Å; R170-D174 IonicContact NH1-OD1 2.69Å; R170-D174 PolarHBondContact NH1-OD1 2.93Å; R170-D174 IonicContact NH1-OD2 3.6Å; R170-D174 PolarHBondContact NH1-OD2 3.48Å; R170-D174 IonicContact NH2-OD1 3.48Å; R170-D174 PolarHBondContact NH2-OD1 2.83Å; R170-D174 IonicContact NH2-OD2 2.64Å; R170-D174 PolarHBondContact NH2-OD2 3.39Å; R170-H179 PolarHBondContact O-CD2 2.98Å
171F90Very high87Confident23 Ų2362.4 Ų62.410%0.10131%0.313CS..  trans-102.8-20.1179.573.5-85.5000113H135 K138 V140 R169 H178 H179 R196H135-F171 WeakPolarHBondContact O-CE1 3.35Å; H135-F171 WeakPolarHBondContact O-CZ 3.33Å; K138-F171 WeakPolarHBondContact O-CD1 3.5Å; K138-F171 WeakPolarHBondContact O-CE1 3.45Å; K138-F171 PolarHBondContact O-N 3.29Å; V140-F171 HydrophobicContact CG2-CB 3.93Å; V140-F171 HydrophobicContact CG2-CD1 3.57Å; V140-F171 HydrophobicContact CG2-CE1 4.37Å; V140-F171 HydrophobicContact CG2-CG 3.91Å; R169-F171 PolarHBondContact O-N 2.92Å; F171-H178 AromaticContact CD2-CE1 3.61Å; F171-H178 AromaticContact CD2-ND1 3.94Å; F171-H178 AromaticContact CE2-CE1 3.97Å; F171-H178 CarbonylContact O-C 3.51Å; F171-H178 WeakPolarHBondContact O-CA 3.32Å; F171-H179 PolarHBondContact O-N 3.14Å; F171-R196 HydrophobicContact CD1-CG 4.41Å; F171-R196 HydrophobicContact CE1-CG 4.02Å; F171-R196 HydrophobicContact CE2-CG 4.38Å; F171-R196 VanDerWaalsContact CZ-CD 3.42Å; F171-R196 HydrophobicContact CZ-CG 4.05Å
172L90Very high85.5Confident30 Ų3066 Ų6616%0.15733%0.326CS..BIsolated β-bridgetrans-110.3141171.2-60168.8000111.5K138 R170 G176 Q177 H178K138-L172 HydrophobicContact CB-CB 3.94Å; K138-L172 HydrophobicContact CD-CB 4.32Å; K138-L172 HydrophobicContact CG-CB 3.98Å; K138-L172 HydrophobicContact CG-CD1 4.19Å; R170-L172 VanDerWaalsContact CD-O 3.32Å; R170-L172 WeakPolarHBondContact CD-O 3.46Å; R170-L172 WeakPolarHBondContact CG-O 3.32Å; R170-L172 PolarHBondContact NE-O 3.27Å; L172-G176 WeakPolarHBondContact CD2-O 3.31Å; L172-Q177 WeakPolarHBondContact CA-O 3.26Å; L172-H178 WeakPolarHBondContact CD2-CD2 3.46Å
173K88.4Confident83.3Confident79 Ų7971 Ų7134%0.34337%0.368SS..  trans-74168.4162-63176.1-171.8176.40109.9N175 G176 Q177K173-N175 WeakPolarHBondContact CB-OD1 3.23Å; K173-N175 PolarHBondContact O-N 2.69Å; K173-G176 PolarHBondContact O-N 2.8Å; K173-Q177 WeakPolarHBondContact CB-O 3.28Å; K173-Q177 HydrophobicContact CD-CB 4.44Å; K173-Q177 PolarHBondContact N-O 2.78Å
174D86.2Confident81.4Confident115 Ų11576.4 Ų76.462%0.61539%0.386SS*.THydrogen-bonded Turntrans-64.1-26.3177.4-69.1-57000114.3K138 R170 G176K138-D174 IonicContact NZ-OD1 2.9Å; K138-D174 PolarHBondContact NZ-OD1 2.68Å; R170-D174 IonicContact CZ-OD1 2.62Å; R170-D174 IonicContact CZ-OD2 3.45Å; R170-D174 IonicContact NH1-OD1 2.69Å; R170-D174 PolarHBondContact NH1-OD1 2.93Å; R170-D174 IonicContact NH1-OD2 3.6Å; R170-D174 PolarHBondContact NH1-OD2 3.48Å; R170-D174 IonicContact NH2-OD1 3.48Å; R170-D174 PolarHBondContact NH2-OD1 2.83Å; R170-D174 IonicContact NH2-OD2 2.64Å; R170-D174 PolarHBondContact NH2-OD2 3.39Å; D174-G176 PolarHBondContact O-N 2.9Å
175N86.4Confident79.6Confident100 Ų10074.1 Ų74.154%0.53537%0.374SS..THydrogen-bonded Turntrans-78.38.2173.870.5-3.9000113.7K173 Q177K173-N175 WeakPolarHBondContact CB-OD1 3.23Å; K173-N175 PolarHBondContact O-N 2.69Å; N175-Q177 PolarHBondContact ND2-OE1 3.44Å; N175-Q177 PolarHBondContact O-N 3.4Å; N175-Q177 VanDerWaalsContact OD1-CB 3.29Å; N175-Q177 WeakPolarHBondContact OD1-CB 3.36Å; N175-Q177 PolarHBondContact OD1-N 2.96Å
176G81.4Confident77.3Confident49 Ų4975.3 Ų75.351%0.50539%0.389SS..SBendtrans75.60.2-179.500000115L172 K173 D174L172-G176 WeakPolarHBondContact CD2-O 3.31Å; K173-G176 PolarHBondContact O-N 2.8Å; D174-G176 PolarHBondContact O-N 2.9Å
177Q80.7Confident75.3Confident114 Ų11480.1 Ų80.153%0.53341%0.407SS..PPolyproline II helixtrans-80.5144.3174.7-64.7-178.9-11.900111.1L172 K173 N175L172-Q177 WeakPolarHBondContact CA-O 3.26Å; K173-Q177 WeakPolarHBondContact CB-O 3.28Å; K173-Q177 HydrophobicContact CD-CB 4.44Å; K173-Q177 PolarHBondContact N-O 2.78Å; N175-Q177 PolarHBondContact ND2-OE1 3.44Å; N175-Q177 PolarHBondContact O-N 3.4Å; N175-Q177 VanDerWaalsContact OD1-CB 3.29Å; N175-Q177 WeakPolarHBondContact OD1-CB 3.36Å; N175-Q177 PolarHBondContact OD1-N 2.96Å
178H84Confident73.3Confident107 Ų10779.5 Ų79.550%0.49540%0.404SS..BIsolated β-bridgetrans-64.6142.2172.9-82.5-111.9000111.8F171 L172F171-H178 AromaticContact CD2-CE1 3.61Å; F171-H178 AromaticContact CD2-ND1 3.94Å; F171-H178 AromaticContact CE2-CE1 3.97Å; F171-H178 CarbonylContact O-C 3.51Å; F171-H178 WeakPolarHBondContact O-CA 3.32Å; L172-H178 WeakPolarHBondContact CD2-CD2 3.46Å
179H78.6Confident71.2Confident74 Ų7483.7 Ų83.734%0.34343%0.425SS..PPolyproline II helixtrans-63.1141.5161.6-76.8-82.5000109.2R170 F171R170-H179 PolarHBondContact O-CD2 2.98Å; F171-H179 PolarHBondContact O-N 3.14Å
180R70.7Confident69.4Low226 Ų22684.3 Ų84.385%0.85343%0.434SS*.PPolyproline II helixtrans-61.8134.3172.6-69.2-175.1178.7-176.7-0.4108.7R182R180-R182 PolarHBondContact O-N 2.78Å
181P69.8Low67.7Low97 Ų9783 Ų8363%0.6344%0.437SS*.PPolyproline II helixtrans-52.4139.4171.3-25.934.9000110.2A183 E193P181-A183 PolarHBondContact O-N 2.8Å; P181-E193 HydrophobicContact CB-CB 3.8Å; P181-E193 HydrophobicContact CB-CG 4.43Å
182R64.4Low66.4Low93 Ų9386 Ų8635%0.35145%0.451SS..PPolyproline II helixtrans-63.6139.9169.6-73.7177.7-66.9-138.6-8.8108.5R169 R180 R184 C185 E193R169-R182 VanDerWaalsContact CZ-CZ 3.45Å; R180-R182 PolarHBondContact O-N 2.78Å; R182-R184 PolarHBondContact O-N 2.72Å; R182-R184 VanDerWaalsContact O-N 3.15Å; R182-C185 PolarHBondContact NE-SG 2.84Å; R182-C185 VanDerWaalsContact NE-SG 3.39Å; R182-E193 VanDerWaalsContact CB-OE2 3.26Å; R182-E193 WeakPolarHBondContact CB-OE2 3.36Å; R182-E193 WeakPolarHBondContact CG-OE2 3.49Å; R182-E193 IonicContact CZ-OE1 3.99Å; R182-E193 IonicContact CZ-OE2 2.89Å; R182-E193 PolarHBondContact N-OE2 3.41Å; R182-E193 IonicContact NE-OE1 2.83Å; R182-E193 IonicContact NE-OE2 2.73Å; R182-E193 PolarHBondContact NE-OE2 3.24Å; R182-E193 IonicContact NH2-OE1 3.95Å; R182-E193 PolarHBondContact NH2-OE1 2.92Å; R182-E193 IonicContact NH2-OE2 3.66Å
183A52.1Low65.6Low108 Ų10886.4 Ų86.489%0.89345%0.452SS*.SBendtrans-58.6-26.4175.200000112.5P181P181-A183 PolarHBondContact O-N 2.8Å
184R52.1Low65.1Low146 Ų14684.1 Ų84.155%0.55144%0.443SS*.  trans-143.2129.5173.4-65.5-176.9-179.5179.1-3.9110.1R182 N240R182-R184 PolarHBondContact O-N 2.72Å; R182-R184 VanDerWaalsContact O-N 3.15Å; R184-N240 PolarHBondContact NH1-OD1 2.81Å
185C54.2Low65.1Low7 Ų781 Ų815%0.04743%0.429CS..  trans-112.3136.3168.3-67.10000109.5R182 F187 G191 E192 E193R182-C185 PolarHBondContact NE-SG 2.84Å; R182-C185 VanDerWaalsContact NE-SG 3.39Å; C185-F187 PolarHBondContact O-N 3.49Å; C185-G191 PolarHBondContact N-O 3.48Å; C185-G191 VanDerWaalsContact N-O 3.15Å; C185-E192 WeakPolarHBondContact CB-O 3.49Å; C185-E193 VanDerWaalsContact SG-CA 3.59Å; C185-E193 PolarHBondContact SG-OE2 3.13Å
186G44.7Very low65.3Low33 Ų3381 Ų8134%0.3442%0.422SS..SBendtrans-71.9-3.917700000114.6Y233G186-Y233 WeakPolarHBondContact O-CE1 3.29Å
187F46.1Very low65.6Low111 Ų11185.1 Ų85.149%0.48742%0.422SS..SBendtrans-162.6136.4170.8-90.4-77.4000108.4C185 Q194C185-F187 PolarHBondContact O-N 3.49Å; F187-Q194 PolarHBondContact O-NE2 3.36Å
188P45.9Very low65.9Low37 Ų3780.8 Ų80.824%0.2440%0.403CS..SBendcis-76.4169.592.117.4000112.5N190 G191 E192 Q194 Y233P188-N190 WeakPolarHBondContact CG-OD1 3.05Å; P188-N190 PolarHBondContact O-N 2.8Å; P188-G191 PolarHBondContact O-N 3.36Å; P188-E192 WeakPolarHBondContact CD-O 3.31Å; P188-Q194 HydrophobicContact CG-CG 3.8Å; P188-Y233 PolarHBondContact O-OH 2.84Å
189L47.4Very low66.3Low88 Ų8875.7 Ų75.746%0.46138%0.379SS..THydrogen-bonded Turntrans-54.3-25.4-177.6-71.9168.2000113.9G191 F226 L230 Y233L189-G191 PolarHBondContact O-N 2.78Å; L189-F226 HydrophobicContact CD1-CE1 4.45Å; L189-L230 HydrophobicContact CD2-CD2 4.4Å; L189-Y233 HydrophobicContact CD2-CD1 4.06Å; L189-Y233 HydrophobicContact CD2-CD2 4.42Å; L189-Y233 HydrophobicContact CD2-CE1 3.98Å; L189-Y233 HydrophobicContact CD2-CE2 4.35Å; L189-Y233 HydrophobicContact CD2-CG 4.28Å
190N52.4Low67Low81 Ų8175.8 Ų75.843%0.43338%0.382SS..THydrogen-bonded Turntrans-75.5-1.9176.470.5-9.8000114P188 E192P188-N190 WeakPolarHBondContact CG-OD1 3.05Å; P188-N190 PolarHBondContact O-N 2.8Å; N190-E192 PolarHBondContact ND2-OE2 3.43Å; N190-E192 PolarHBondContact O-N 2.76Å; N190-E192 PolarHBondContact OD1-N 3.44Å
191G55.6Low67.7Low25 Ų2570.8 Ų70.826%0.25836%0.363SS..  trans76.41.6177.300000114.9C185 P188 L189C185-G191 PolarHBondContact N-O 3.48Å; C185-G191 VanDerWaalsContact N-O 3.15Å; P188-G191 PolarHBondContact O-N 3.36Å; L189-G191 PolarHBondContact O-N 2.78Å
192E63.7Low68.7Low86 Ų8667.8 Ų67.840%0.40234%0.344SS..PPolyproline II helixtrans-78.3152.6-175.1-71171.7-17200112.1C185 P188 N190 Q194 K246C185-E192 WeakPolarHBondContact CB-O 3.49Å; P188-E192 WeakPolarHBondContact CD-O 3.31Å; N190-E192 PolarHBondContact ND2-OE2 3.43Å; N190-E192 PolarHBondContact O-N 2.76Å; N190-E192 PolarHBondContact OD1-N 3.44Å; E192-Q194 PolarHBondContact O-N 2.81Å; E192-K246 IonicContact OE1-NZ 3.98Å; E192-K246 PolarHBondContact OE1-NZ 3.26Å
193E72.9Confident70.2Confident39 Ų3965.4 Ų65.418%0.18234%0.336CS..PPolyproline II helixtrans-72.3118.6175.3-171.574.4-118.600110R169 P181 R182 C185 S195R169-E193 IonicContact CZ-OE1 3.67Å; R169-E193 IonicContact CZ-OE2 2.7Å; R169-E193 IonicContact NH1-OE1 2.74Å; R169-E193 PolarHBondContact NH1-OE1 2.98Å; R169-E193 IonicContact NH1-OE2 3.19Å; R169-E193 PolarHBondContact NH1-OE2 2.94Å; P181-E193 HydrophobicContact CB-CB 3.8Å; P181-E193 HydrophobicContact CB-CG 4.43Å; R182-E193 VanDerWaalsContact CB-OE2 3.26Å; R182-E193 WeakPolarHBondContact CB-OE2 3.36Å; R182-E193 WeakPolarHBondContact CG-OE2 3.49Å; R182-E193 IonicContact CZ-OE1 3.99Å; R182-E193 IonicContact CZ-OE2 2.89Å; R182-E193 PolarHBondContact N-OE2 3.41Å; R182-E193 IonicContact NE-OE1 2.83Å; R182-E193 IonicContact NE-OE2 2.73Å; R182-E193 PolarHBondContact NE-OE2 3.24Å; R182-E193 IonicContact NH2-OE1 3.95Å; R182-E193 PolarHBondContact NH2-OE1 2.92Å; R182-E193 IonicContact NH2-OE2 3.66Å; C185-E193 VanDerWaalsContact SG-CA 3.59Å; C185-E193 PolarHBondContact SG-OE2 3.13Å; E193-S195 PolarHBondContact O-N 2.93Å
194Q78.4Confident72Confident31 Ų3162.7 Ų62.715%0.14530%0.304CS..PPolyproline II helixtrans-60.6137.1173.4-61.4-172.746.700110.7R142 F187 P188 E192 D198R142-Q194 HydrophobicContact CB-CB 4.46Å; R142-Q194 HydrophobicContact CG-CB 3.84Å; R142-Q194 PolarHBondContact O-OE1 2.99Å; F187-Q194 PolarHBondContact O-NE2 3.36Å; P188-Q194 HydrophobicContact CG-CG 3.8Å; E192-Q194 PolarHBondContact O-N 2.81Å; Q194-D198 HydrophobicContact CB-CB 4.33Å
195S84.7Confident73.9Confident48 Ų4859 Ų5934%0.33629%0.292SS..  trans-123.3176-177.472.70000110.3V140 E193 R197 D198 D199V140-S195 VanDerWaalsContact CG1-C 3.43Å; V140-S195 WeakPolarHBondContact CG1-O 3.33Å; E193-S195 PolarHBondContact O-N 2.93Å; S195-R197 PolarHBondContact O-N 2.85Å; S195-R197 VanDerWaalsContact OG-CB 3.32Å; S195-R197 WeakPolarHBondContact OG-CB 3.25Å; S195-R197 PolarHBondContact OG-N 3.15Å; S195-D198 WeakPolarHBondContact CA-OD2 3.39Å; S195-D198 PolarHBondContact N-OD2 3.31Å; S195-D198 WeakPolarHBondContact O-CB 3.1Å; S195-D198 PolarHBondContact O-N 2.75Å; S195-D198 PolarHBondContact OG-OD2 3.08Å; S195-D199 PolarHBondContact O-N 3.45Å
196R91Very high75.6Confident100 Ų10058.9 Ų58.938%0.37729%0.291SS..Hα-helixtrans-50.2-32.5171.4-66177.6-74.8-169.1-2.4113H135 V140 F171 D198 D199 L200H135-R196 HydrophobicContact CB-CG 4.27Å; V140-R196 HydrophobicContact CG2-CG 3.94Å; F171-R196 HydrophobicContact CD1-CG 4.41Å; F171-R196 HydrophobicContact CE1-CG 4.02Å; F171-R196 HydrophobicContact CE2-CG 4.38Å; F171-R196 VanDerWaalsContact CZ-CD 3.42Å; F171-R196 HydrophobicContact CZ-CG 4.05Å; R196-D198 VanDerWaalsContact C-N 3.26Å; R196-D198 PolarHBondContact O-N 3.15Å; R196-D199 WeakPolarHBondContact O-CB 3.24Å; R196-D199 PolarHBondContact O-N 3.01Å; R196-L200 WeakPolarHBondContact O-CG 3.4Å; R196-L200 PolarHBondContact O-N 3.32Å; R196-L200 VanDerWaalsContact O-N 3.13Å
197R87.5Confident77.9Confident136 Ų13658.2 Ų58.251%0.51328%0.279SS..Hα-helixtrans-59.4-39.3177-172.7-161.969.71293.2111.7S195 L200 W201S195-R197 PolarHBondContact O-N 2.85Å; S195-R197 VanDerWaalsContact OG-CB 3.32Å; S195-R197 WeakPolarHBondContact OG-CB 3.25Å; S195-R197 PolarHBondContact OG-N 3.15Å; R197-L200 PolarHBondContact O-N 3.41Å; R197-W201 VanDerWaalsContact O-CD1 3.27Å; R197-W201 PolarHBondContact O-N 2.92Å
198D88.4Confident80Confident23 Ų2355.4 Ų55.412%0.12327%0.269CS..Hα-helixtrans-75.2-32.6-175.7-51.2-75.2000111Q194 S195 R196 L200 S202Q194-D198 HydrophobicContact CB-CB 4.33Å; S195-D198 WeakPolarHBondContact CA-OD2 3.39Å; S195-D198 PolarHBondContact N-OD2 3.31Å; S195-D198 WeakPolarHBondContact O-CB 3.1Å; S195-D198 PolarHBondContact O-N 2.75Å; S195-D198 PolarHBondContact OG-OD2 3.08Å; R196-D198 VanDerWaalsContact C-N 3.26Å; R196-D198 PolarHBondContact O-N 3.15Å; D198-L200 VanDerWaalsContact C-N 3.35Å; D198-S202 VanDerWaalsContact O-CB 3.26Å; D198-S202 WeakPolarHBondContact O-CB 3.43Å; D198-S202 PolarHBondContact O-N 2.9Å; D198-S202 PolarHBondContact O-OG 2.93Å
199D91.9Very high82.2Confident0 Ų054.7 Ų54.70%026%0.262CS..Hα-helixtrans-60.6-43.5166-72.3-10.2000111.3H135 V140 H141 R142 V144 S195 R196 S202 W203H135-D199 IonicContact CD2-OD2 2.78Å; H135-D199 IonicContact CE1-OD2 4Å; H135-D199 IonicContact NE2-OD2 3.48Å; H135-D199 PolarHBondContact NE2-OD2 2.79Å; V140-D199 WeakPolarHBondContact CA-OD2 3.25Å; V140-D199 WeakPolarHBondContact CG1-OD1 3.26Å; V140-D199 VanDerWaalsContact CG1-OD2 3.28Å; V140-D199 WeakPolarHBondContact CG1-OD2 3.43Å; H141-D199 WeakPolarHBondContact CB-OD1 3.33Å; H141-D199 PolarHBondContact N-OD1 3.03Å; H141-D199 PolarHBondContact N-OD2 3.04Å; R142-D199 PolarHBondContact N-OD1 2.8Å; V144-D199 HydrophobicContact CG2-CB 3.93Å; S195-D199 PolarHBondContact O-N 3.45Å; R196-D199 WeakPolarHBondContact O-CB 3.24Å; R196-D199 PolarHBondContact O-N 3.01Å; D199-S202 PolarHBondContact O-N 2.85Å; D199-W203 WeakPolarHBondContact O-CB 3.49Å; D199-W203 PolarHBondContact O-N 2.62Å
200L92.1Very high84.1Confident77 Ų7750.5 Ų50.540%0.40324%0.24SC..Hα-helixtrans-68.9-38.8-179.5-65.2179000112.6L128 R196 R197 D198 W203 F204L128-L200 HydrophobicContact CD1-CD2 3.53Å; R196-L200 WeakPolarHBondContact O-CG 3.4Å; R196-L200 PolarHBondContact O-N 3.32Å; R196-L200 VanDerWaalsContact O-N 3.13Å; R197-L200 PolarHBondContact O-N 3.41Å; D198-L200 VanDerWaalsContact C-N 3.35Å; L200-W203 PolarHBondContact O-N 3.21Å; L200-F204 PolarHBondContact O-N 3.48Å
201W86.3Confident85.8Confident120 Ų12047.1 Ų47.146%0.45522%0.222SC..Hα-helixtrans-62-45.1171.5-85.2116.9000111.9R197 W203 F204 F205R197-W201 VanDerWaalsContact O-CD1 3.27Å; R197-W201 PolarHBondContact O-N 2.92Å; W201-W203 VanDerWaalsContact C-N 3.32Å; W201-W203 PolarHBondContact O-N 3.21Å; W201-F204 HydrophobicContact CE3-CD1 4.28Å; W201-F204 HydrophobicContact CZ3-CD1 4.25Å; W201-F204 WeakPolarHBondContact O-CB 3.43Å; W201-F204 PolarHBondContact O-N 3.49Å; W201-F204 VanDerWaalsContact O-N 3.16Å; W201-F205 HydrophobicContact CE3-CZ 4.3Å; W201-F205 WeakPolarHBondContact O-CD2 3.41Å; W201-F205 WeakPolarHBondContact O-CG 3.44Å; W201-F205 PolarHBondContact O-N 2.97Å
202S90.5Very high87.2Confident34 Ų3449.3 Ų49.324%0.23823%0.231CC..Hα-helixtrans-65.2-38.4178.3-60.60000111.4V144 D198 D199 F204 F205 V206V144-S202 WeakPolarHBondContact O-CB 3.32Å; D198-S202 VanDerWaalsContact O-CB 3.26Å; D198-S202 WeakPolarHBondContact O-CB 3.43Å; D198-S202 PolarHBondContact O-N 2.9Å; D198-S202 PolarHBondContact O-OG 2.93Å; D199-S202 PolarHBondContact O-N 2.85Å; S202-F204 VanDerWaalsContact C-N 3.34Å; S202-F204 PolarHBondContact O-N 3.14Å; S202-F205 CarbonylContact O-C 3.53Å; S202-F205 WeakPolarHBondContact O-CB 3.32Å; S202-F205 PolarHBondContact O-N 3.34Å; S202-F205 VanDerWaalsContact O-N 3.16Å; S202-V206 WeakPolarHBondContact O-CG2 3.25Å; S202-V206 PolarHBondContact O-N 3.38Å
203W96Very high88.2Confident44 Ų4446 Ų4617%0.16722%0.22CC..Hα-helixtrans-61-40.7170.8171.792.2000112.3C124 L128 L131 V144 D199 L200 W201 F205 V206 L207C124-W203 HydrophobicContact CB-CZ2 3.78Å; C124-W203 WeakPolarHBondContact O-CZ2 3.37Å; C124-W203 PolarHBondContact O-NE1 2.72Å; L128-W203 HydrophobicContact CB-CZ2 3.99Å; L128-W203 HydrophobicContact CD1-CD2 4.24Å; L128-W203 HydrophobicContact CD1-CG 4.46Å; L128-W203 HydrophobicContact CD2-CH2 4.25Å; L128-W203 HydrophobicContact CD2-CZ2 4.05Å; L128-W203 HydrophobicContact CG-CZ2 4.46Å; L131-W203 HydrophobicContact CD1-CB 3.78Å; L131-W203 HydrophobicContact CD1-CG 4.14Å; V144-W203 HydrophobicContact CG1-CB 4.11Å; D199-W203 WeakPolarHBondContact O-CB 3.49Å; D199-W203 PolarHBondContact O-N 2.62Å; L200-W203 PolarHBondContact O-N 3.21Å; W201-W203 VanDerWaalsContact C-N 3.32Å; W201-W203 PolarHBondContact O-N 3.21Å; W203-F205 VanDerWaalsContact C-N 3.29Å; W203-F205 PolarHBondContact O-N 3.31Å; W203-V206 WeakPolarHBondContact O-CA 3.33Å; W203-V206 WeakPolarHBondContact O-CB 3.33Å; W203-V206 PolarHBondContact O-N 2.68Å; W203-V206 VanDerWaalsContact O-N 3.1Å; W203-L207 HydrophobicContact CH2-CD2 4.17Å; W203-L207 HydrophobicContact CZ3-CD2 4.46Å; W203-L207 PolarHBondContact O-N 3Å
204F91.1Very high88.8Confident50 Ų5046.8 Ų46.822%0.21923%0.227CC..Hα-helixtrans-62.4-38.8174.4175.2-105.4000111.4L200 W201 S202 V206 L207 L208L200-F204 PolarHBondContact O-N 3.48Å; W201-F204 HydrophobicContact CE3-CD1 4.28Å; W201-F204 HydrophobicContact CZ3-CD1 4.25Å; W201-F204 WeakPolarHBondContact O-CB 3.43Å; W201-F204 PolarHBondContact O-N 3.49Å; W201-F204 VanDerWaalsContact O-N 3.16Å; S202-F204 VanDerWaalsContact C-N 3.34Å; S202-F204 PolarHBondContact O-N 3.14Å; F204-V206 VanDerWaalsContact C-N 3.34Å; F204-L207 WeakPolarHBondContact O-CB 3.36Å; F204-L207 PolarHBondContact O-N 2.8Å; F204-L208 HydrophobicContact CD1-CD1 4.07Å; F204-L208 HydrophobicContact CD1-CG 4.46Å; F204-L208 HydrophobicContact CE1-CD1 3.47Å; F204-L208 VanDerWaalsContact CE1-CD1 3.47Å; F204-L208 HydrophobicContact CE1-CG 4.03Å; F204-L208 HydrophobicContact CE2-CG 4.4Å; F204-L208 HydrophobicContact CZ-CD1 3.81Å; F204-L208 HydrophobicContact CZ-CD2 4.17Å; F204-L208 HydrophobicContact CZ-CG 4Å; F204-L208 PolarHBondContact O-N 2.75Å
205F91Very high88.8Confident70 Ų7046.1 Ų46.131%0.30722%0.224SC..Hα-helixtrans-67.6-32.7172.5-58-36.3000113W201 S202 W203 L208 R209 L215 W217W201-F205 HydrophobicContact CE3-CZ 4.3Å; W201-F205 WeakPolarHBondContact O-CD2 3.41Å; W201-F205 WeakPolarHBondContact O-CG 3.44Å; W201-F205 PolarHBondContact O-N 2.97Å; S202-F205 CarbonylContact O-C 3.53Å; S202-F205 WeakPolarHBondContact O-CB 3.32Å; S202-F205 PolarHBondContact O-N 3.34Å; S202-F205 VanDerWaalsContact O-N 3.16Å; W203-F205 VanDerWaalsContact C-N 3.29Å; W203-F205 PolarHBondContact O-N 3.31Å; F205-L208 HydrophobicContact CD1-CD1 4.36Å; F205-R209 WeakPolarHBondContact O-CB 3.47Å; F205-R209 PolarHBondContact O-N 3.43Å; F205-L215 HydrophobicContact CB-CD1 4.33Å; F205-L215 HydrophobicContact CB-CD2 4.43Å; F205-W217 HydrophobicContact CB-CZ2 4.24Å; F205-W217 AromaticContact CD1-CH2 3.46Å; F205-W217 HydrophobicContact CD1-CH2 3.46Å; F205-W217 VanDerWaalsContact CD1-CH2 3.46Å; F205-W217 AromaticContact CD1-CZ2 3.74Å; F205-W217 HydrophobicContact CD1-CZ2 3.74Å; F205-W217 HydrophobicContact CD2-CH2 4.47Å; F205-W217 HydrophobicContact CD2-CZ2 4.07Å; F205-W217 AromaticContact CE1-CH2 3.49Å; F205-W217 HydrophobicContact CE1-CH2 3.49Å; F205-W217 VanDerWaalsContact CE1-CH2 3.49Å; F205-W217 HydrophobicContact CE1-CZ2 4.06Å; F205-W217 HydrophobicContact CE1-CZ3 4.48Å; F205-W217 HydrophobicContact CE2-CH2 4.49Å; F205-W217 HydrophobicContact CE2-CZ2 4.36Å; F205-W217 AromaticContact CG-CH2 3.99Å; F205-W217 HydrophobicContact CG-CH2 3.99Å; F205-W217 AromaticContact CG-CZ2 3.76Å; F205-W217 HydrophobicContact CG-CZ2 3.76Å; F205-W217 HydrophobicContact CZ-CH2 4.02Å; F205-W217 HydrophobicContact CZ-CZ2 4.35Å
206V91Very high88Confident3 Ų349 Ų492%0.01824%0.242CC..Hα-helixtrans-60.1-51168174.50000109.8F103 V144 P146 F149 S202 W203 F204 L208 R209 L210F103-V206 HydrophobicContact CD2-CG1 4.05Å; F103-V206 HydrophobicContact CE2-CG1 4.5Å; V144-V206 HydrophobicContact CG1-CG2 4.29Å; P146-V206 HydrophobicContact CG-CG1 4.37Å; P146-V206 HydrophobicContact CG-CG2 4.23Å; F149-V206 HydrophobicContact CD2-CG1 4.43Å; F149-V206 HydrophobicContact CE2-CG2 4.19Å; S202-V206 WeakPolarHBondContact O-CG2 3.25Å; S202-V206 PolarHBondContact O-N 3.38Å; W203-V206 WeakPolarHBondContact O-CA 3.33Å; W203-V206 WeakPolarHBondContact O-CB 3.33Å; W203-V206 PolarHBondContact O-N 2.68Å; W203-V206 VanDerWaalsContact O-N 3.1Å; F204-V206 VanDerWaalsContact C-N 3.34Å; V206-L208 VanDerWaalsContact C-N 3.34Å; V206-L208 PolarHBondContact O-N 3.34Å; V206-R209 WeakPolarHBondContact O-CB 3.06Å; V206-R209 PolarHBondContact O-N 2.96Å; V206-R209 VanDerWaalsContact O-N 3.09Å; V206-L210 HydrophobicContact CG1-CD1 4.28Å; V206-L210 HydrophobicContact CG1-CD2 4.44Å; V206-L210 HydrophobicContact CG1-CG 4.13Å; V206-L210 VanDerWaalsContact O-CG 3.29Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.07Å
207L92.9Very high87.4Confident19 Ų1949.8 Ų49.810%0.09925%0.245CC..Hα-helixtrans-56-46.1177.9175.161.6000112.6M121 C124 W203 F204 L210 T211M121-L207 HydrophobicContact CE-CD1 3.88Å; M121-L207 HydrophobicContact CE-CD2 4.17Å; M121-L207 HydrophobicContact CE-CG 4.46Å; M121-L207 HydrophobicContact SD-CD1 3.95Å; M121-L207 HydrophobicContact SD-CD2 4.42Å; C124-L207 HydrophobicContact CB-CB 4.38Å; C124-L207 HydrophobicContact CB-CD1 3.9Å; C124-L207 WeakPolarHBondContact SG-CA 3.16Å; W203-L207 HydrophobicContact CH2-CD2 4.17Å; W203-L207 HydrophobicContact CZ3-CD2 4.46Å; W203-L207 PolarHBondContact O-N 3Å; F204-L207 WeakPolarHBondContact O-CB 3.36Å; F204-L207 PolarHBondContact O-N 2.8Å; L207-L210 PolarHBondContact O-N 2.81Å; L207-T211 HydrophobicContact CD1-CG2 3.96Å; L207-T211 WeakPolarHBondContact O-CB 3.48Å; L207-T211 WeakPolarHBondContact O-CG2 3.47Å; L207-T211 PolarHBondContact O-N 3.43Å; L207-T211 PolarHBondContact O-OG1 3.49Å
208L89.5Confident86.4Confident53 Ų5347.6 Ų47.628%0.27724%0.243SC..Hα-helixtrans-60.5-48.6174.7-72.4-177.8000111.1F204 F205 V206 L210 T211 T212 L215F204-L208 HydrophobicContact CD1-CD1 4.07Å; F204-L208 HydrophobicContact CD1-CG 4.46Å; F204-L208 HydrophobicContact CE1-CD1 3.47Å; F204-L208 VanDerWaalsContact CE1-CD1 3.47Å; F204-L208 HydrophobicContact CE1-CG 4.03Å; F204-L208 HydrophobicContact CE2-CG 4.4Å; F204-L208 HydrophobicContact CZ-CD1 3.81Å; F204-L208 HydrophobicContact CZ-CD2 4.17Å; F204-L208 HydrophobicContact CZ-CG 4Å; F204-L208 PolarHBondContact O-N 2.75Å; F205-L208 HydrophobicContact CD1-CD1 4.36Å; V206-L208 VanDerWaalsContact C-N 3.34Å; V206-L208 PolarHBondContact O-N 3.34Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-L210 PolarHBondContact O-N 3.3Å; L208-T211 PolarHBondContact O-N 2.92Å; L208-T211 PolarHBondContact O-OG1 3.48Å; L208-T211 VanDerWaalsContact O-OG1 3.13Å; L208-T212 WeakPolarHBondContact O-CB 3.29Å; L208-T212 WeakPolarHBondContact O-CG2 3.36Å; L208-T212 PolarHBondContact O-N 2.92Å; L208-T212 PolarHBondContact O-OG1 3.32Å; L208-L215 HydrophobicContact CB-CD2 3.82Å
209R91.6Very high84.9Confident22 Ų2253 Ų538%0.08327%0.272CS..Hα-helixtrans-57-41.1177.817866.1-179.6110.6-2.9112.1E104 L107 P146 F205 V206 G213 L215E104-R209 IonicContact OE1-CZ 3.92Å; E104-R209 IonicContact OE1-NE 3.72Å; E104-R209 IonicContact OE1-NH2 3.46Å; E104-R209 PolarHBondContact OE1-NH2 3.41Å; E104-R209 IonicContact OE2-NE 3.87Å; E104-R209 IonicContact OE2-NH2 2.63Å; L107-R209 HydrophobicContact CD1-CG 3.99Å; P146-R209 HydrophobicContact CG-CB 4.43Å; P146-R209 HydrophobicContact CG-CG 3.88Å; F205-R209 WeakPolarHBondContact O-CB 3.47Å; F205-R209 PolarHBondContact O-N 3.43Å; V206-R209 WeakPolarHBondContact O-CB 3.06Å; V206-R209 PolarHBondContact O-N 2.96Å; V206-R209 VanDerWaalsContact O-N 3.09Å; R209-G213 PolarHBondContact NH1-O 3.25Å; R209-G213 VanDerWaalsContact O-CA 3.31Å; R209-G213 WeakPolarHBondContact O-CA 3.43Å; R209-G213 PolarHBondContact O-N 2.73Å; R209-L215 HydrophobicContact CB-CD1 4.22Å; R209-L215 HydrophobicContact CB-CD2 4.32Å; R209-L215 HydrophobicContact CB-CG 4.09Å
210L87.4Confident83.3Confident0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-69.6-37.4179.4-60.5-166000112.9F103 L107 L115 A120 A123 V206 L207 L208F103-L210 HydrophobicContact CB-CD2 3.86Å; F103-L210 HydrophobicContact CD2-CD1 3.71Å; F103-L210 HydrophobicContact CD2-CD2 4.24Å; F103-L210 HydrophobicContact CD2-CG 4.5Å; F103-L210 HydrophobicContact CE2-CD1 4Å; F103-L210 HydrophobicContact CG-CD1 4.28Å; F103-L210 HydrophobicContact CG-CD2 4.35Å; L107-L210 HydrophobicContact CD1-CD2 3.91Å; L107-L210 HydrophobicContact CD2-CD2 4.02Å; L107-L210 HydrophobicContact CG-CD2 4.1Å; L115-L210 HydrophobicContact CD1-CB 4.31Å; L115-L210 HydrophobicContact CD1-CD1 4.03Å; L115-L210 HydrophobicContact CD1-CG 4.49Å; L115-L210 PolarHBondContact N-O 2.85Å; A120-L210 HydrophobicContact CB-CB 3.92Å; A123-L210 HydrophobicContact CB-CD1 4.32Å; V206-L210 HydrophobicContact CG1-CD1 4.28Å; V206-L210 HydrophobicContact CG1-CD2 4.44Å; V206-L210 HydrophobicContact CG1-CG 4.13Å; V206-L210 VanDerWaalsContact O-CG 3.29Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.07Å; L207-L210 PolarHBondContact O-N 2.81Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-L210 PolarHBondContact O-N 3.3Å
211T88.2Confident81.5Confident9 Ų964.5 Ų64.56%0.05532%0.324CS..Hα-helixtrans-86.6-35.2-174.250.70000113.4K114 W117 A120 L207 L208K114-T211 WeakPolarHBondContact CD-O 3.39Å; W117-T211 HydrophobicContact CD2-CG2 4.24Å; W117-T211 HydrophobicContact CE3-CG2 3.71Å; W117-T211 HydrophobicContact CH2-CG2 4.32Å; W117-T211 HydrophobicContact CZ3-CG2 3.76Å; A120-T211 HydrophobicContact CB-CG2 3.44Å; A120-T211 VanDerWaalsContact CB-CG2 3.44Å; L207-T211 HydrophobicContact CD1-CG2 3.96Å; L207-T211 WeakPolarHBondContact O-CB 3.48Å; L207-T211 WeakPolarHBondContact O-CG2 3.47Å; L207-T211 PolarHBondContact O-N 3.43Å; L207-T211 PolarHBondContact O-OG1 3.49Å; L208-T211 PolarHBondContact O-N 2.92Å; L208-T211 PolarHBondContact O-OG1 3.48Å; L208-T211 VanDerWaalsContact O-OG1 3.13Å
212T85.9Confident80Confident72 Ų7262.2 Ų62.244%0.44232%0.323SS..Hα-helixtrans-97.3-22.4-177.371.70000112.5L208 T214L208-T212 WeakPolarHBondContact O-CB 3.29Å; L208-T212 WeakPolarHBondContact O-CG2 3.36Å; L208-T212 PolarHBondContact O-N 2.92Å; L208-T212 PolarHBondContact O-OG1 3.32Å; T212-T214 VanDerWaalsContact C-N 3.28Å; T212-T214 PolarHBondContact OG1-N 3.47Å; T212-T214 PolarHBondContact OG1-O 3.21Å
213G84.9Confident78Confident17 Ų1764.3 Ų64.318%0.17534%0.335CS..SBendtrans7612-174.900000114.3G113 R209G113-G213 WeakPolarHBondContact O-CA 3.47Å; R209-G213 PolarHBondContact NH1-O 3.25Å; R209-G213 VanDerWaalsContact O-CA 3.31Å; R209-G213 WeakPolarHBondContact O-CA 3.43Å; R209-G213 PolarHBondContact O-N 2.73Å
214T84Confident75.9Confident55 Ų5567.6 Ų67.634%0.33736%0.363SS..SBendtrans-160.2177.4170.4-169.40000110.7T212T212-T214 VanDerWaalsContact C-N 3.28Å; T212-T214 PolarHBondContact OG1-N 3.47Å; T212-T214 PolarHBondContact OG1-O 3.21Å
215L78.4Confident73.9Confident17 Ų1768.8 Ų68.89%0.08938%0.382CS..  trans-125147.2163.5-70168.3000108F205 L208 R209 W217 L218F205-L215 HydrophobicContact CB-CD1 4.33Å; F205-L215 HydrophobicContact CB-CD2 4.43Å; L208-L215 HydrophobicContact CB-CD2 3.82Å; R209-L215 HydrophobicContact CB-CD1 4.22Å; R209-L215 HydrophobicContact CB-CD2 4.32Å; R209-L215 HydrophobicContact CB-CG 4.09Å; L215-W217 HydrophobicContact CB-CD2 4.11Å; L215-W217 HydrophobicContact CB-CH2 4.5Å; L215-W217 HydrophobicContact CB-CZ2 4Å; L215-W217 HydrophobicContact CD1-CZ2 3.74Å; L215-W217 HydrophobicContact CD2-CH2 4.07Å; L215-W217 HydrophobicContact CD2-CZ2 3.89Å; L215-W217 HydrophobicContact CG-CZ2 4.08Å; L215-W217 PolarHBondContact O-N 3.21Å; L215-L218 HydrophobicContact CB-CB 4.35Å; L215-L218 HydrophobicContact CB-CD1 4.29Å; L215-L218 HydrophobicContact CD1-CD1 4.34Å; L215-L218 WeakPolarHBondContact O-CB 3.28Å; L215-L218 PolarHBondContact O-N 3.48Å
216P67.7Low72Confident108 Ų10870 Ų7070%0.70139%0.387SS*.THydrogen-bonded Turntrans-53.1-29.9-178.4-26.433.6000113.6
217W78.6Confident70Confident117 Ų11774.7 Ų74.744%0.44341%0.412SS..THydrogen-bonded Turntrans-92.4-8.2179.453.888.4000115.7F205 L215 N219 L220F205-W217 HydrophobicContact CB-CZ2 4.24Å; F205-W217 AromaticContact CD1-CH2 3.46Å; F205-W217 HydrophobicContact CD1-CH2 3.46Å; F205-W217 VanDerWaalsContact CD1-CH2 3.46Å; F205-W217 AromaticContact CD1-CZ2 3.74Å; F205-W217 HydrophobicContact CD1-CZ2 3.74Å; F205-W217 HydrophobicContact CD2-CH2 4.47Å; F205-W217 HydrophobicContact CD2-CZ2 4.07Å; F205-W217 AromaticContact CE1-CH2 3.49Å; F205-W217 HydrophobicContact CE1-CH2 3.49Å; F205-W217 VanDerWaalsContact CE1-CH2 3.49Å; F205-W217 HydrophobicContact CE1-CZ2 4.06Å; F205-W217 HydrophobicContact CE1-CZ3 4.48Å; F205-W217 HydrophobicContact CE2-CH2 4.49Å; F205-W217 HydrophobicContact CE2-CZ2 4.36Å; F205-W217 AromaticContact CG-CH2 3.99Å; F205-W217 HydrophobicContact CG-CH2 3.99Å; F205-W217 AromaticContact CG-CZ2 3.76Å; F205-W217 HydrophobicContact CG-CZ2 3.76Å; F205-W217 HydrophobicContact CZ-CH2 4.02Å; F205-W217 HydrophobicContact CZ-CZ2 4.35Å; L215-W217 HydrophobicContact CB-CD2 4.11Å; L215-W217 HydrophobicContact CB-CH2 4.5Å; L215-W217 HydrophobicContact CB-CZ2 4Å; L215-W217 HydrophobicContact CD1-CZ2 3.74Å; L215-W217 HydrophobicContact CD2-CH2 4.07Å; L215-W217 HydrophobicContact CD2-CZ2 3.89Å; L215-W217 HydrophobicContact CG-CZ2 4.08Å; L215-W217 PolarHBondContact O-N 3.21Å; W217-N219 PolarHBondContact O-N 3.46Å; W217-N219 VanDerWaalsContact O-N 3.13Å; W217-L220 HydrophobicContact CB-CD1 3.59Å; W217-L220 HydrophobicContact CB-CG 4.28Å; W217-L220 PolarHBondContact O-N 2.9Å; W217-L220 VanDerWaalsContact O-N 3.13Å
218L66.3Low68Low89 Ų8976.4 Ų76.447%0.46643%0.429SS..THydrogen-bonded Turntrans-62.7-26.4-173.5-146.498.9000112.6L215L215-L218 HydrophobicContact CB-CB 4.35Å; L215-L218 HydrophobicContact CB-CD1 4.29Å; L215-L218 HydrophobicContact CD1-CD1 4.34Å; L215-L218 WeakPolarHBondContact O-CB 3.28Å; L215-L218 PolarHBondContact O-N 3.48Å
219N57.2Low65.9Low137 Ų13779.8 Ų79.873%0.73344%0.443SS*.THydrogen-bonded Turntrans-112.711.9179.8-65.3-29.8000113.3W217 K221W217-N219 PolarHBondContact O-N 3.46Å; W217-N219 VanDerWaalsContact O-N 3.13Å; N219-K221 PolarHBondContact O-N 3.4Å; N219-K221 VanDerWaalsContact O-N 3.14Å
220L58.8Low63.7Low122 Ų12281.6 Ų81.664%0.63945%0.454SS*.  trans-65.9118.3174.7-75.7172.5000108.6W217 V222W217-L220 HydrophobicContact CB-CD1 3.59Å; W217-L220 HydrophobicContact CB-CG 4.28Å; W217-L220 PolarHBondContact O-N 2.9Å; W217-L220 VanDerWaalsContact O-N 3.13Å; L220-V222 PolarHBondContact O-N 3.32Å; L220-V222 VanDerWaalsContact O-N 3.11Å
221K54Low61.8Low197 Ų19788.6 Ų88.686%0.85749%0.485SS*.  trans-64.4113.2165.5-72.5-173.8178.4-178.60107.1N219 P223N219-K221 PolarHBondContact O-N 3.4Å; N219-K221 VanDerWaalsContact O-N 3.14Å; K221-P223 VanDerWaalsContact O-CD 3.24Å; K221-P223 WeakPolarHBondContact O-CD 3.29Å; K221-P223 VanDerWaalsContact O-N 3.16Å
222V54.8Low59.8Low72 Ų7292.9 Ų92.944%0.43651%0.511SS..  trans-57.8117172.1-178.30000106.9L220 F226 L230L220-V222 PolarHBondContact O-N 3.32Å; L220-V222 VanDerWaalsContact O-N 3.11Å; V222-F226 HydrophobicContact CG1-CB 3.68Å; V222-F226 HydrophobicContact CG1-CD1 4.05Å; V222-F226 HydrophobicContact CG1-CG 4.3Å; V222-L230 HydrophobicContact CG1-CD1 4.38Å
223P49.5Very low57.4Low77 Ų7792.1 Ų92.150%0.550%0.5SS..  trans-57.6143176.2-23.433.8000109.2K221 A225 F226 D227K221-P223 VanDerWaalsContact O-CD 3.24Å; K221-P223 WeakPolarHBondContact O-CD 3.29Å; K221-P223 VanDerWaalsContact O-N 3.16Å; P223-A225 PolarHBondContact O-N 3.42Å; P223-F226 WeakPolarHBondContact O-CA 3.32Å; P223-F226 WeakPolarHBondContact O-CB 3.17Å; P223-F226 PolarHBondContact O-N 2.81Å; P223-D227 PolarHBondContact O-N 3.17Å
224P52.1Low55.4Low114 Ų11494.1 Ų94.174%0.7452%0.515SS*.Hα-helixtrans-52.2-30.6180-28.234.1000114F226 D227 A228P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 2.82Å; P224-D227 WeakPolarHBondContact O-CB 3.37Å; P224-D227 PolarHBondContact O-N 2.89Å; P224-A228 PolarHBondContact O-N 3.31Å; P224-A228 VanDerWaalsContact O-N 3.07Å
225A49.3Very low53.4Low75 Ų7596.3 Ų96.362%0.6253%0.525SS*.Hα-helixtrans-64.3-30.8174.400000113.6P223 Q229P223-A225 PolarHBondContact O-N 3.42Å; A225-Q229 PolarHBondContact O-N 3.21Å; A225-Q229 VanDerWaalsContact O-N 3.13Å
226F49.5Very low51.3Low95 Ų9598.1 Ų98.142%0.41754%0.539SS..Hα-helixtrans-82-30.1178.5-146-91.6000111.3L189 V222 P223 P224 Q229 L230L189-F226 HydrophobicContact CD1-CE1 4.45Å; V222-F226 HydrophobicContact CG1-CB 3.68Å; V222-F226 HydrophobicContact CG1-CD1 4.05Å; V222-F226 HydrophobicContact CG1-CG 4.3Å; P223-F226 WeakPolarHBondContact O-CA 3.32Å; P223-F226 WeakPolarHBondContact O-CB 3.17Å; P223-F226 PolarHBondContact O-N 2.81Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 2.82Å; F226-Q229 PolarHBondContact O-N 3.17Å; F226-L230 HydrophobicContact CD1-CD1 4.07Å; F226-L230 HydrophobicContact CD1-CG 4.47Å; F226-L230 WeakPolarHBondContact O-CB 3.19Å; F226-L230 WeakPolarHBondContact O-CG 3.36Å; F226-L230 PolarHBondContact O-N 3.15Å
227D50.1Low49.8Very low101 Ų10199.6 Ų99.654%0.5453%0.534SS..Hα-helixtrans-64.3-41.1168.7-117.63.7000111.1P223 P224 L230 K231P223-D227 PolarHBondContact O-N 3.17Å; P224-D227 WeakPolarHBondContact O-CB 3.37Å; P224-D227 PolarHBondContact O-N 2.89Å; D227-L230 PolarHBondContact O-N 3.47Å; D227-K231 WeakPolarHBondContact O-CB 3.06Å; D227-K231 PolarHBondContact O-N 3.18Å
228A49.5Very low47.6Very low55 Ų5599.1 Ų99.146%0.45555%0.549SS..Hα-helixtrans-63.6-41.4172.300000112P224 K231 V232P224-A228 PolarHBondContact O-N 3.31Å; P224-A228 VanDerWaalsContact O-N 3.07Å; A228-K231 PolarHBondContact O-N 3.14Å; A228-V232 WeakPolarHBondContact O-CB 3.29Å; A228-V232 VanDerWaalsContact O-CG2 3.22Å; A228-V232 WeakPolarHBondContact O-CG2 3.47Å; A228-V232 PolarHBondContact O-N 2.66Å
229Q45.6Very low45.8Very low124 Ų12497.7 Ų97.758%0.57955%0.55SS*.Hα-helixtrans-65.1-39.8173.5-81.5-179.1-17.500112.7A225 F226 K231 Y233A225-Q229 PolarHBondContact O-N 3.21Å; A225-Q229 VanDerWaalsContact O-N 3.13Å; F226-Q229 PolarHBondContact O-N 3.17Å; Q229-K231 VanDerWaalsContact C-N 3.34Å; Q229-Y233 WeakPolarHBondContact O-CB 3.23Å; Q229-Y233 PolarHBondContact O-N 3.05Å
230L45Very low44.4Very low61 Ų6197.9 Ų97.932%0.31955%0.551SS.*Hα-helixtrans-66.2-36.5175.3-84.6161.1000112L189 V222 F226 D227 Y233 A234L189-L230 HydrophobicContact CD2-CD2 4.4Å; V222-L230 HydrophobicContact CG1-CD1 4.38Å; F226-L230 HydrophobicContact CD1-CD1 4.07Å; F226-L230 HydrophobicContact CD1-CG 4.47Å; F226-L230 WeakPolarHBondContact O-CB 3.19Å; F226-L230 WeakPolarHBondContact O-CG 3.36Å; F226-L230 PolarHBondContact O-N 3.15Å; D227-L230 PolarHBondContact O-N 3.47Å; L230-Y233 PolarHBondContact O-N 2.86Å; L230-A234 VanDerWaalsContact O-CB 3.26Å; L230-A234 WeakPolarHBondContact O-CB 3.34Å; L230-A234 PolarHBondContact O-N 3.46Å
231K48.6Very low43.2Very low146 Ų14699.2 Ų99.264%0.63556%0.557SS**Hα-helixtrans-68.9-47.5175.2-150.2175.1-171.8-177.90111.1D227 A228 Q229 Y233 A234 D235D227-K231 WeakPolarHBondContact O-CB 3.06Å; D227-K231 PolarHBondContact O-N 3.18Å; A228-K231 PolarHBondContact O-N 3.14Å; Q229-K231 VanDerWaalsContact C-N 3.34Å; K231-Y233 VanDerWaalsContact C-N 3.26Å; K231-Y233 PolarHBondContact O-N 3.13Å; K231-A234 PolarHBondContact O-N 2.88Å; K231-D235 VanDerWaalsContact O-CB 3.3Å; K231-D235 WeakPolarHBondContact O-CB 3.36Å; K231-D235 PolarHBondContact O-N 2.95Å
232V45.7Very low42Very low99 Ų9998.1 Ų98.160%0.656%0.555SS**Hα-helixtrans-59.2-37.7171.1171.50000111.2A228 D235 S236A228-V232 WeakPolarHBondContact O-CB 3.29Å; A228-V232 VanDerWaalsContact O-CG2 3.22Å; A228-V232 WeakPolarHBondContact O-CG2 3.47Å; A228-V232 PolarHBondContact O-N 2.66Å; V232-D235 PolarHBondContact O-N 3.22Å; V232-S236 WeakPolarHBondContact O-CA 3.41Å; V232-S236 WeakPolarHBondContact O-CB 2.98Å; V232-S236 PolarHBondContact O-N 3.48Å; V232-S236 PolarHBondContact O-OG 3.31Å
233Y35.5Very low40.9Very low56 Ų56102.1 Ų102.122%0.2257%0.574CS.*Hα-helixtrans-70.8-41.1178.1-164.1-95.3000112G186 P188 L189 Q229 L230 K231 S236 K237G186-Y233 WeakPolarHBondContact O-CE1 3.29Å; P188-Y233 PolarHBondContact O-OH 2.84Å; L189-Y233 HydrophobicContact CD2-CD1 4.06Å; L189-Y233 HydrophobicContact CD2-CD2 4.42Å; L189-Y233 HydrophobicContact CD2-CE1 3.98Å; L189-Y233 HydrophobicContact CD2-CE2 4.35Å; L189-Y233 HydrophobicContact CD2-CG 4.28Å; Q229-Y233 WeakPolarHBondContact O-CB 3.23Å; Q229-Y233 PolarHBondContact O-N 3.05Å; L230-Y233 PolarHBondContact O-N 2.86Å; K231-Y233 VanDerWaalsContact C-N 3.26Å; K231-Y233 PolarHBondContact O-N 3.13Å; Y233-S236 WeakPolarHBondContact CA-OG 3.44Å; Y233-S236 PolarHBondContact O-N 3.42Å; Y233-S236 PolarHBondContact O-OG 2.93Å; Y233-K237 PolarHBondContact O-N 2.95Å
234A42.4Very low40Very low59 Ų59104.3 Ų104.349%0.48859%0.588SS.*Hα-helixtrans-64.3-40.7172.900000111.7L230 K231 K237L230-A234 VanDerWaalsContact O-CB 3.26Å; L230-A234 WeakPolarHBondContact O-CB 3.34Å; L230-A234 PolarHBondContact O-N 3.46Å; K231-A234 PolarHBondContact O-N 2.88Å; A234-K237 PolarHBondContact O-N 3.43Å
235D42.3Very low39.1Very low102 Ų102102.5 Ų102.555%0.54559%0.59SS.*Hα-helixtrans-72.1-32.6176.7-64.6-22.5000111.3K231 V232 K237 S238K231-D235 VanDerWaalsContact O-CB 3.3Å; K231-D235 WeakPolarHBondContact O-CB 3.36Å; K231-D235 PolarHBondContact O-N 2.95Å; V232-D235 PolarHBondContact O-N 3.22Å; D235-K237 VanDerWaalsContact C-N 3.28Å; D235-K237 PolarHBondContact O-N 2.77Å; D235-S238 VanDerWaalsContact O-CB 3.24Å; D235-S238 WeakPolarHBondContact O-CB 3.44Å; D235-S238 PolarHBondContact O-N 2.87Å; D235-S238 PolarHBondContact O-OG 2.78Å
236S35.8Very low38.6Very low55 Ų55105.9 Ų105.939%0.38559%0.591SS.*Hα-helixtrans-71.1-15.217777.20000114.4V232 Y233 S238 A239V232-S236 WeakPolarHBondContact O-CA 3.41Å; V232-S236 WeakPolarHBondContact O-CB 2.98Å; V232-S236 PolarHBondContact O-N 3.48Å; V232-S236 PolarHBondContact O-OG 3.31Å; Y233-S236 WeakPolarHBondContact CA-OG 3.44Å; Y233-S236 PolarHBondContact O-N 3.42Å; Y233-S236 PolarHBondContact O-OG 2.93Å; S236-S238 PolarHBondContact O-N 3.37Å; S236-A239 PolarHBondContact O-N 3.47Å; S236-A239 VanDerWaalsContact O-N 3.15Å
237K34.7Very low37.9Very low138 Ų138107.5 Ų107.560%0.660%0.601SS**THydrogen-bonded Turntrans-59.4-13.8165.4-80.6-174.1175176.40112.4Y233 A234 D235Y233-K237 PolarHBondContact O-N 2.95Å; A234-K237 PolarHBondContact O-N 3.43Å; D235-K237 VanDerWaalsContact C-N 3.28Å; D235-K237 PolarHBondContact O-N 2.77Å
238S32.6Very low37.6Very low108 Ų108106.3 Ų106.376%0.75559%0.594SS**THydrogen-bonded Turntrans-101.5-14.7179.2-22.60000114D235 S236D235-S238 VanDerWaalsContact O-CB 3.24Å; D235-S238 WeakPolarHBondContact O-CB 3.44Å; D235-S238 PolarHBondContact O-N 2.87Å; D235-S238 PolarHBondContact O-OG 2.78Å; S236-S238 PolarHBondContact O-N 3.37Å
239A28.7Very low37.3Very low59 Ų59106.3 Ų106.349%0.48859%0.59SS.*  trans-147.5116.4-168.800000113.2S236 I241S236-A239 PolarHBondContact O-N 3.47Å; S236-A239 VanDerWaalsContact O-N 3.15Å; A239-I241 PolarHBondContact O-N 3.22Å
240N27.4Very low37.7Very low140 Ų140104.1 Ų104.175%0.74959%0.593SS**  trans-67.1103.3174.1-82.5-39.8000112R184R184-N240 PolarHBondContact NH1-OD1 2.81Å
241I33.8Very low38.6Very low151 Ų151105.9 Ų105.977%0.77461%0.608SS**  trans-143.4141162.5-55.2-178.2000110.7A239A239-I241 PolarHBondContact O-N 3.22Å
242E30.1Very low39.6Very low173 Ų17399.5 Ų99.581%0.80858%0.582SS**  trans-72.2147.1-170.3-63170.1151.100114.5
243N30.9Very low41.1Very low157 Ų15798.1 Ų98.184%0.8458%0.575SS**  trans-127.8124.5170.7-156.511.5000110G245N243-G245 PolarHBondContact O-N 2.93Å
244P29.7Very low43.3Very low122 Ų122100 Ų10079%0.79260%0.596SS**  trans-86.2109.1-176.632.5-29.7000110.4
245G35.1Very low45.3Very low76 Ų76100.2 Ų100.278%0.78459%0.591SS**  trans-170.96.6179.900000117.8N243N243-G245 PolarHBondContact O-N 2.93Å
246K37.2Very low47.5Very low146 Ų14695.4 Ų95.464%0.63557%0.565SS**  trans-119.395.1174.1-101.3-178.4169.8-179.70109.2E192 M248E192-K246 IonicContact OE1-NZ 3.98Å; E192-K246 PolarHBondContact OE1-NZ 3.26Å; K246-M248 PolarHBondContact O-N 3.14Å
247M35.8Very low50Low129 Ų12998.4 Ų98.464%0.63557%0.574SS**  trans-85.143.2172.6-82-177.167.800112.6
248M43.8Very low52.8Low77 Ų7793.7 Ų93.738%0.37956%0.558SS.*  trans-120.697.2161.6-87.8-92.7-74.900107.5K246 A250 A272K246-M248 PolarHBondContact O-N 3.14Å; M248-A250 PolarHBondContact O-N 3.37Å; M248-A272 HydrophobicContact CE-CB 3.54Å
249S43.6Very low55.7Low55 Ų5589.4 Ų89.439%0.38553%0.525SS..  trans-73.4103.5169.533.50000108.5E293S249-E293 PolarHBondContact OG-OE2 3.32Å
250A53.1Low58.8Low77 Ų7791.2 Ų91.264%0.63652%0.523SS*.SBendtrans64.3141.1170.600000118.3M248M248-A250 PolarHBondContact O-N 3.37Å
251P64.4Low61.9Low99 Ų9986 Ų8664%0.64350%0.497SS*.PPolyproline II helixtrans-58.7150164.526-32.3000109.8
252P69.5Low64.5Low12 Ų1282.4 Ų82.48%0.07848%0.481CS..PPolyproline II helixtrans-56.3154.3173.524.7-33000110.2V256 V261 Y274 F331P252-V256 HydrophobicContact CB-CG2 3.87Å; P252-V261 HydrophobicContact CG-CG2 4.16Å; P252-Y274 VanDerWaalsContact CD-CZ 3.48Å; P252-Y274 HydrophobicContact CG-CD2 3.94Å; P252-Y274 HydrophobicContact CG-CE1 4.39Å; P252-Y274 HydrophobicContact CG-CE2 3.69Å; P252-Y274 HydrophobicContact CG-CG 4.38Å; P252-F331 HydrophobicContact CB-CE1 3.95Å; P252-F331 HydrophobicContact CB-CE2 4.22Å; P252-F331 HydrophobicContact CB-CZ 3.61Å
253P76Confident67.2Low69 Ų6981 Ų8145%0.44847%0.469SS..PPolyproline II helixtrans-47.1147173-28.334.3000111.6V255 V261P253-V255 WeakPolarHBondContact CB-O 3.19Å; P253-V255 PolarHBondContact O-N 3.37Å; P253-V261 WeakPolarHBondContact O-CG2 3.2Å
254S82.7Confident69.8Low96 Ų9678 Ų7867%0.67145%0.45SS*.SBendtrans-54.2-25179.358.70000113.5Q260 V261S254-Q260 WeakPolarHBondContact O-CA 3.14Å; S254-V261 PolarHBondContact O-N 3.02Å
255V85.1Confident72.2Confident63 Ų6375.2 Ų75.238%0.38243%0.428SS..EExtended strand (participates in β ladder)trans-130.3122.7169.8-1800000107.9P253 E257 W259 Q260 L279P253-V255 WeakPolarHBondContact CB-O 3.19Å; P253-V255 PolarHBondContact O-N 3.37Å; V255-E257 WeakPolarHBondContact CG1-O 3.25Å; V255-W259 CarbonylContact C-O 3.48Å; V255-W259 VanDerWaalsContact CA-O 3.31Å; V255-W259 WeakPolarHBondContact CA-O 3.29Å; V255-Q260 HydrophobicContact CG2-CB 4.41Å; V255-Q260 HydrophobicContact CG2-CG 4.41Å; V255-L279 HydrophobicContact CG1-CD1 3.79Å
256V86.6Confident73.9Confident1 Ų173 Ų731%0.00641%0.405CS..EExtended strand (participates in β ladder)trans-107.8106.9173.8174.70000106.6P252 S258 W259 V261 M287 L328 F331 F333P252-V256 HydrophobicContact CB-CG2 3.87Å; V256-S258 PolarHBondContact O-N 2.95Å; V256-W259 PolarHBondContact N-O 3.19Å; V256-W259 PolarHBondContact O-N 2.96Å; V256-V261 HydrophobicContact CG2-CG2 4.34Å; V256-M287 HydrophobicContact CB-CE 3.83Å; V256-M287 HydrophobicContact CB-SD 4.06Å; V256-M287 HydrophobicContact CG1-CE 3.77Å; V256-M287 HydrophobicContact CG1-SD 4.03Å; V256-M287 HydrophobicContact CG2-SD 4.12Å; V256-L328 HydrophobicContact CG1-CD1 3.91Å; V256-F331 HydrophobicContact CG1-CE2 4.27Å; V256-F331 HydrophobicContact CG1-CZ 4.33Å; V256-F331 HydrophobicContact CG2-CE2 4.4Å; V256-F331 HydrophobicContact CG2-CZ 3.9Å; V256-F333 HydrophobicContact CG1-CD1 4.02Å; V256-F333 HydrophobicContact CG1-CD2 4.45Å; V256-F333 HydrophobicContact CG1-CE1 3.9Å; V256-F333 HydrophobicContact CG1-CE2 4.35Å; V256-F333 HydrophobicContact CG1-CG 4.3Å; V256-F333 HydrophobicContact CG1-CZ 4.07Å
257E90.1Very high75.3Confident119 Ų11971 Ų7156%0.55641%0.408SS*.THydrogen-bonded Turntrans50.1-104.1-173.4-61.2-176.5-179.200112.7V255 W259 F333V255-E257 WeakPolarHBondContact CG1-O 3.25Å; E257-W259 HydrophobicContact CB-CE3 4.19Å; E257-W259 HydrophobicContact CB-CZ3 4.14Å; E257-F333 HydrophobicContact CG-CZ 4.35Å
258S91.8Very high76.4Confident39 Ų3967.4 Ų67.427%0.27340%0.404SS..THydrogen-bonded Turntrans-1017.2-179.1710000114.2V256 L279V256-S258 PolarHBondContact O-N 2.95Å; S258-L279 VanDerWaalsContact O-CB 3.3Å; S258-L279 WeakPolarHBondContact O-CB 2.93Å; S258-L279 WeakPolarHBondContact O-CG 3.24Å; S258-L279 PolarHBondContact O-N 3.19Å
259W94.2Very high76.8Confident17 Ų1769.8 Ų69.86%0.06442%0.423CS..EExtended strand (participates in β ladder)trans-117.7124.2-174-66.7-84.4000111.8V255 V256 E257 V276 V277 E285 M287 F333 V335V255-W259 CarbonylContact C-O 3.48Å; V255-W259 VanDerWaalsContact CA-O 3.31Å; V255-W259 WeakPolarHBondContact CA-O 3.29Å; V256-W259 PolarHBondContact N-O 3.19Å; V256-W259 PolarHBondContact O-N 2.96Å; E257-W259 HydrophobicContact CB-CE3 4.19Å; E257-W259 HydrophobicContact CB-CZ3 4.14Å; W259-V276 HydrophobicContact CB-CB 4.09Å; W259-V276 HydrophobicContact CB-CG2 4.11Å; W259-V276 HydrophobicContact CG-CG2 4.13Å; W259-V277 WeakPolarHBondContact CA-O 3.2Å; W259-E285 VanDerWaalsContact CD1-OE2 3.24Å; W259-E285 PolarHBondContact NE1-OE2 2.85Å; W259-M287 HydrophobicContact CB-CE 3.68Å; W259-M287 HydrophobicContact CD2-CE 4.25Å; W259-M287 HydrophobicContact CE3-CE 4.31Å; W259-M287 HydrophobicContact CG-CE 3.99Å; W259-F333 HydrophobicContact CE3-CE2 4.33Å; W259-F333 HydrophobicContact CZ3-CE2 4.08Å; W259-F333 HydrophobicContact CZ3-CZ 4.45Å; W259-V335 HydrophobicContact CD2-CG2 3.95Å; W259-V335 HydrophobicContact CE3-CG2 4.28Å; W259-V335 HydrophobicContact CG-CG2 4.35Å; W259-V335 HydrophobicContact CZ2-CB 4.35Å; W259-V335 HydrophobicContact CZ2-CG2 4.16Å
260Q93.4Very high77.6Confident97 Ų9771.7 Ų71.745%0.45342%0.424SS..EExtended strand (participates in β ladder)trans-88.3125.6172.3-177.8177.5-2.100110.2S254 V255 V262 V276 V277 L279S254-Q260 WeakPolarHBondContact O-CA 3.14Å; V255-Q260 HydrophobicContact CG2-CB 4.41Å; V255-Q260 HydrophobicContact CG2-CG 4.41Å; Q260-V262 PolarHBondContact O-N 3.23Å; Q260-V276 CarbonylContact O-C 3.47Å; Q260-V276 WeakPolarHBondContact O-CA 3.47Å; Q260-V276 WeakPolarHBondContact O-CB 3.17Å; Q260-V277 PolarHBondContact N-O 3.23Å; Q260-V277 PolarHBondContact O-N 2.99Å; Q260-L279 HydrophobicContact CB-CD2 3.85Å; Q260-L279 HydrophobicContact CB-CG 4.3Å
261V92.2Very high78.6Confident31 Ų3168.4 Ų68.419%0.18840%0.398CS..EExtended strand (participates in β ladder)trans-72.3122.8176.9-179.30000109.6P252 P253 S254 V256 Y274 V276P252-V261 HydrophobicContact CG-CG2 4.16Å; P253-V261 WeakPolarHBondContact O-CG2 3.2Å; S254-V261 PolarHBondContact O-N 3.02Å; V256-V261 HydrophobicContact CG2-CG2 4.34Å; V261-Y274 HydrophobicContact CG1-CD1 3.8Å; V261-Y274 HydrophobicContact CG1-CG 4.17Å; V261-V276 HydrophobicContact CG2-CG1 4.29Å
262V89.8Confident79.4Confident75 Ų7563.8 Ų63.846%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-92.3-57.8178.5-1780000110.3Q260 E275 V277Q260-V262 PolarHBondContact O-N 3.23Å; V262-E275 HydrophobicContact CB-CB 4.37Å; V262-E275 HydrophobicContact CB-CG 4.16Å; V262-E275 WeakPolarHBondContact CB-O 3.32Å; V262-E275 HydrophobicContact CG2-CG 4.35Å; V262-E275 PolarHBondContact N-O 2.62Å; V262-V277 HydrophobicContact CG2-CB 4.35Å; V262-V277 HydrophobicContact CG2-CG2 3.56Å
263R86.3Confident80.1Confident143 Ų14364.3 Ų64.354%0.5437%0.371SS..EExtended strand (participates in β ladder)trans-162.3160.3-177.961178.4172.9109.26.2110.9I265 Y274 E275R263-I265 HydrophobicContact CG-CG2 4.14Å; R263-Y274 CarbonylContact O-C 3.59Å; R263-Y274 VanDerWaalsContact O-CA 3.27Å; R263-Y274 WeakPolarHBondContact O-CA 3.34Å; R263-E275 HydrophobicContact CG-CB 4.04Å; R263-E275 IonicContact CZ-OE2 2.68Å; R263-E275 PolarHBondContact N-O 3.14Å; R263-E275 IonicContact NE-OE2 2.72Å; R263-E275 PolarHBondContact NE-OE2 3.34Å; R263-E275 IonicContact NH2-OE2 3.89Å; R263-E275 PolarHBondContact NH2-OE2 3.11Å; R263-E275 PolarHBondContact O-N 3.4Å
264E85.7Confident80.8Confident96 Ų9661.6 Ų61.645%0.44935%0.352SS..EExtended strand (participates in β ladder)trans-72.6134.9166.3-162.4175.1129.900110.2C267 Y274E264-C267 WeakPolarHBondContact OE1-CB 3.43Å; E264-Y274 HydrophobicContact CB-CD1 3.86Å; E264-Y274 HydrophobicContact CB-CE1 3.68Å; E264-Y274 HydrophobicContact CG-CD1 4.15Å; E264-Y274 HydrophobicContact CG-CE1 3.79Å; E264-Y274 PolarHBondContact OE2-OH 3.4Å
265I79.2Confident81.2Confident63 Ų6357.9 Ų57.932%0.32332%0.324SS..EExtended strand (participates in β ladder)trans-117.2-10.1177.860.9176.2000113.4R263 V273 E275 A286 L338R263-I265 HydrophobicContact CG-CG2 4.14Å; I265-V273 HydrophobicContact CD1-CG1 3.88Å; I265-V273 HydrophobicContact CG1-CB 4.09Å; I265-V273 HydrophobicContact CG1-CG1 3.76Å; I265-V273 WeakPolarHBondContact CG1-O 3.18Å; I265-V273 PolarHBondContact N-O 2.89Å; I265-E275 HydrophobicContact CD1-CB 4.44Å; I265-E275 HydrophobicContact CG2-CB 3.61Å; I265-A286 HydrophobicContact CD1-CB 3.95Å; I265-L338 HydrophobicContact CD1-CD1 3.51Å
266G70.7Confident81.5Confident29 Ų2954.9 Ų54.930%0.29931%0.306SS..EExtended strand (participates in β ladder)trans-171.2152.7170.400000112.3A272 V273G266-A272 CarbonylContact O-C 3.48Å; G266-A272 WeakPolarHBondContact O-CA 3.29Å; G266-V273 PolarHBondContact N-O 3.43Å; G266-V273 PolarHBondContact O-N 3.24Å
267C67.2Low81.9Confident104 Ų10455.9 Ų55.970%0.70331%0.312SS*.EExtended strand (participates in β ladder)trans-127.3143.3171.359.90000109.7E264E264-C267 WeakPolarHBondContact OE1-CB 3.43Å
268G58.7Low82Confident53 Ų5351 Ų5155%0.54629%0.29SS..EExtended strand (participates in β ladder)trans-132.7172.5175.600000110.6F270 G271G268-F270 PolarHBondContact O-N 2.92Å; G268-F270 VanDerWaalsContact O-N 3.14Å; G268-G271 CarbonylContact C-O 3.52Å; G268-G271 PolarHBondContact N-O 2.89Å; G268-G271 PolarHBondContact O-N 3.24Å
269T52.7Low82Confident127 Ų12752.1 Ų52.178%0.77929%0.293SS*.THydrogen-bonded Turntrans-56.5-32-177.3-47.70000113.3
270F61.4Low81.8Confident95 Ų9556.9 Ų56.942%0.41732%0.324SS..THydrogen-bonded Turntrans-111.2-2.8-173.4-54.5-67.9000113.8G268 Q294 C298G268-F270 PolarHBondContact O-N 2.92Å; G268-F270 VanDerWaalsContact O-N 3.14Å; F270-Q294 PolarHBondContact O-NE2 3.05Å; F270-Q294 PolarHBondContact O-OE1 2.85Å; F270-C298 HydrophobicContact CD1-CB 3.97Å; F270-C298 HydrophobicContact CE1-CB 3.93Å
271G72.2Confident81.7Confident9 Ų956.6 Ų56.69%0.09333%0.329CS..EExtended strand (participates in β ladder)trans179-179.2-175.800000114.2G268 V289G268-G271 CarbonylContact C-O 3.52Å; G268-G271 PolarHBondContact N-O 2.89Å; G268-G271 PolarHBondContact O-N 3.24Å; G271-V289 WeakPolarHBondContact CA-O 3.33Å
272A82.4Confident81.7Confident1 Ų161.7 Ų61.71%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-125.9159.3176.100000110.9M248 G266 Y274 K288 V289M248-A272 HydrophobicContact CE-CB 3.54Å; G266-A272 CarbonylContact O-C 3.48Å; G266-A272 WeakPolarHBondContact O-CA 3.29Å; A272-Y274 HydrophobicContact CB-CD2 4.44Å; A272-Y274 HydrophobicContact CB-CE2 3.59Å; A272-K288 CarbonylContact O-C 3.56Å; A272-K288 WeakPolarHBondContact O-CA 3.26Å; A272-V289 HydrophobicContact CB-CG2 4.26Å; A272-V289 PolarHBondContact N-O 3.1Å; A272-V289 PolarHBondContact O-N 2.89Å
273V84.4Confident81.7Confident24 Ų2460.1 Ų60.115%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-122.2127.5176.6-169.30000107.7I265 G266 A286 M287 K288I265-V273 HydrophobicContact CD1-CG1 3.88Å; I265-V273 HydrophobicContact CG1-CB 4.09Å; I265-V273 HydrophobicContact CG1-CG1 3.76Å; I265-V273 WeakPolarHBondContact CG1-O 3.18Å; I265-V273 PolarHBondContact N-O 2.89Å; G266-V273 PolarHBondContact N-O 3.43Å; G266-V273 PolarHBondContact O-N 3.24Å; V273-A286 HydrophobicContact CG1-CB 4.17Å; V273-M287 CarbonylContact C-O 3.56Å; V273-M287 VanDerWaalsContact CA-O 3.29Å; V273-M287 WeakPolarHBondContact CA-O 3.35Å; V273-K288 HydrophobicContact CG2-CB 4.18Å; V273-K288 HydrophobicContact CG2-CD 4.43Å; V273-K288 HydrophobicContact CG2-CG 4.07Å
274Y89.6Confident81.9Confident11 Ų1158.1 Ų58.14%0.04334%0.34CS..EExtended strand (participates in β ladder)trans-114.9143-179-63.2-88.1000110.3P252 V261 R263 E264 A272 A286 M287 V289P252-Y274 VanDerWaalsContact CD-CZ 3.48Å; P252-Y274 HydrophobicContact CG-CD2 3.94Å; P252-Y274 HydrophobicContact CG-CE1 4.39Å; P252-Y274 HydrophobicContact CG-CE2 3.69Å; P252-Y274 HydrophobicContact CG-CG 4.38Å; V261-Y274 HydrophobicContact CG1-CD1 3.8Å; V261-Y274 HydrophobicContact CG1-CG 4.17Å; R263-Y274 CarbonylContact O-C 3.59Å; R263-Y274 VanDerWaalsContact O-CA 3.27Å; R263-Y274 WeakPolarHBondContact O-CA 3.34Å; E264-Y274 HydrophobicContact CB-CD1 3.86Å; E264-Y274 HydrophobicContact CB-CE1 3.68Å; E264-Y274 HydrophobicContact CG-CD1 4.15Å; E264-Y274 HydrophobicContact CG-CE1 3.79Å; E264-Y274 PolarHBondContact OE2-OH 3.4Å; A272-Y274 HydrophobicContact CB-CD2 4.44Å; A272-Y274 HydrophobicContact CB-CE2 3.59Å; Y274-A286 CarbonylContact O-C 3.39Å; Y274-A286 VanDerWaalsContact O-CA 3.31Å; Y274-A286 WeakPolarHBondContact O-CA 3.49Å; Y274-M287 PolarHBondContact N-O 3.11Å; Y274-M287 PolarHBondContact O-N 3.13Å; Y274-V289 HydrophobicContact CD2-CG1 4.31Å; Y274-V289 HydrophobicContact CD2-CG2 4.21Å; Y274-V289 HydrophobicContact CE2-CG1 4.46Å; Y274-V289 HydrophobicContact CE2-CG2 3.65Å
275E90.9Very high82.2Confident19 Ų1954.3 Ų54.39%0.08932%0.321CS..EExtended strand (participates in β ladder)trans-74130.3158.1178176.3-171.700107.9V262 R263 I265 H284 E285 L338V262-E275 HydrophobicContact CB-CB 4.37Å; V262-E275 HydrophobicContact CB-CG 4.16Å; V262-E275 WeakPolarHBondContact CB-O 3.32Å; V262-E275 HydrophobicContact CG2-CG 4.35Å; V262-E275 PolarHBondContact N-O 2.62Å; R263-E275 HydrophobicContact CG-CB 4.04Å; R263-E275 IonicContact CZ-OE2 2.68Å; R263-E275 PolarHBondContact N-O 3.14Å; R263-E275 IonicContact NE-OE2 2.72Å; R263-E275 PolarHBondContact NE-OE2 3.34Å; R263-E275 IonicContact NH2-OE2 3.89Å; R263-E275 PolarHBondContact NH2-OE2 3.11Å; R263-E275 PolarHBondContact O-N 3.4Å; I265-E275 HydrophobicContact CD1-CB 4.44Å; I265-E275 HydrophobicContact CG2-CB 3.61Å; E275-H284 IonicContact OE1-CE1 3.58Å; E275-H284 IonicContact OE1-CG 3.44Å; E275-H284 IonicContact OE1-ND1 3.63Å; E275-H284 PolarHBondContact OE1-ND1 3.21Å; E275-E285 WeakPolarHBondContact CA-O 3.46Å; E275-L338 HydrophobicContact CG-CD2 4.14Å
276V93.2Very high82.7Confident0 Ų051.5 Ų51.50%031%0.308CS..EExtended strand (participates in β ladder)trans-128.8154.1178.6-57.20000110W259 Q260 V261 H284 E285 M287 V335W259-V276 HydrophobicContact CB-CB 4.09Å; W259-V276 HydrophobicContact CB-CG2 4.11Å; W259-V276 HydrophobicContact CG-CG2 4.13Å; Q260-V276 CarbonylContact O-C 3.47Å; Q260-V276 WeakPolarHBondContact O-CA 3.47Å; Q260-V276 WeakPolarHBondContact O-CB 3.17Å; V261-V276 HydrophobicContact CG2-CG1 4.29Å; V276-H284 WeakPolarHBondContact O-CA 3.33Å; V276-E285 HydrophobicContact CG2-CB 3.91Å; V276-E285 PolarHBondContact N-O 2.89Å; V276-E285 PolarHBondContact O-N 3.23Å; V276-M287 HydrophobicContact CB-CB 4.45Å; V276-M287 HydrophobicContact CG1-CB 3.49Å; V276-M287 VanDerWaalsContact CG1-CB 3.49Å; V276-M287 HydrophobicContact CG1-CE 4.19Å; V276-M287 HydrophobicContact CG1-CG 4.43Å; V276-M287 HydrophobicContact CG1-SD 4.19Å; V276-M287 HydrophobicContact CG2-CB 4.05Å; V276-V335 HydrophobicContact CG2-CG1 4.03Å
277V94.2Very high83.7Confident22 Ų2250.1 Ų50.113%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-110.3123.5171.2172.70000108.3W259 Q260 V262 L279 A283W259-V277 WeakPolarHBondContact CA-O 3.2Å; Q260-V277 PolarHBondContact N-O 3.23Å; Q260-V277 PolarHBondContact O-N 2.99Å; V262-V277 HydrophobicContact CG2-CB 4.35Å; V262-V277 HydrophobicContact CG2-CG2 3.56Å; V277-L279 PolarHBondContact O-N 2.9Å; V277-A283 WeakPolarHBondContact CA-O 3.46Å
278N92.6Very high84.8Confident17 Ų1746.8 Ų46.89%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-65.7118170.6-173-53.7000109T280 T281 K282 A283N278-T280 PolarHBondContact O-N 3.16Å; N278-T280 WeakPolarHBondContact OD1-CA 3.12Å; N278-T280 WeakPolarHBondContact OD1-CB 3.48Å; N278-T280 PolarHBondContact OD1-N 3.48Å; N278-T281 VanDerWaalsContact CB-OG1 3.24Å; N278-T281 WeakPolarHBondContact CB-OG1 3.28Å; N278-T281 VanDerWaalsContact CG-OG1 3.23Å; N278-T281 PolarHBondContact OD1-N 2.99Å; N278-T281 PolarHBondContact OD1-OG1 3.16Å; N278-K282 WeakPolarHBondContact O-CA 3.45Å; N278-K282 PolarHBondContact O-N 2.94Å; N278-A283 PolarHBondContact N-O 3.43Å
279L91.6Very high86.3Confident62 Ų6244.5 Ų44.533%0.32524%0.243SC..THydrogen-bonded Turntrans-65.6-23.9-174.8-70.3175.6000112.8V255 S258 Q260 V277 K282V255-L279 HydrophobicContact CG1-CD1 3.79Å; S258-L279 VanDerWaalsContact O-CB 3.3Å; S258-L279 WeakPolarHBondContact O-CB 2.93Å; S258-L279 WeakPolarHBondContact O-CG 3.24Å; S258-L279 PolarHBondContact O-N 3.19Å; Q260-L279 HydrophobicContact CB-CD2 3.85Å; Q260-L279 HydrophobicContact CB-CG 4.3Å; V277-L279 PolarHBondContact O-N 2.9Å; L279-K282 WeakPolarHBondContact O-CE 3.29Å; L279-K282 PolarHBondContact O-NZ 3.41Å
280T90.1Very high87.9Confident117 Ų11738.9 Ų38.972%0.71821%0.207SC*.THydrogen-bonded Turntrans-86-55.3179.9-50.90000111.3N278N278-T280 PolarHBondContact O-N 3.16Å; N278-T280 WeakPolarHBondContact OD1-CA 3.12Å; N278-T280 WeakPolarHBondContact OD1-CB 3.48Å; N278-T280 PolarHBondContact OD1-N 3.48Å
281T91.8Very high89Confident91 Ų9134.7 Ų34.756%0.55819%0.19SC*.THydrogen-bonded Turntrans-87.6-13.6-173.765.30000113.3N278 A283N278-T281 VanDerWaalsContact CB-OG1 3.24Å; N278-T281 WeakPolarHBondContact CB-OG1 3.28Å; N278-T281 VanDerWaalsContact CG-OG1 3.23Å; N278-T281 PolarHBondContact OD1-N 2.99Å; N278-T281 PolarHBondContact OD1-OG1 3.16Å; T281-A283 PolarHBondContact O-N 3.48Å; T281-A283 WeakPolarHBondContact OG1-CB 3.38Å; T281-A283 PolarHBondContact OG1-N 2.99Å
282K91.3Very high89.5Confident138 Ų13839.4 Ų39.460%0.621%0.205SC*.  trans60.212.6-170.1-50.7-54.2-173.3-166.40114N278 L279N278-K282 WeakPolarHBondContact O-CA 3.45Å; N278-K282 PolarHBondContact O-N 2.94Å; L279-K282 WeakPolarHBondContact O-CE 3.29Å; L279-K282 PolarHBondContact O-NZ 3.41Å
283A89Confident89.5Confident41 Ų4145.2 Ų45.234%0.33923%0.232SC..  trans-71.6140.6176.900000111V277 N278 T281 E285V277-A283 WeakPolarHBondContact CA-O 3.46Å; N278-A283 PolarHBondContact N-O 3.43Å; T281-A283 PolarHBondContact O-N 3.48Å; T281-A283 WeakPolarHBondContact OG1-CB 3.38Å; T281-A283 PolarHBondContact OG1-N 2.99Å; A283-E285 HydrophobicContact CB-CG 4.36Å
284H91.7Very high89Confident102 Ų10244.8 Ų44.847%0.47223%0.228SC..EExtended strand (participates in β ladder)trans-83.7129168.6-75.3-115.3000109.7E275 V276 L338E275-H284 IonicContact OE1-CE1 3.58Å; E275-H284 IonicContact OE1-CG 3.44Å; E275-H284 IonicContact OE1-ND1 3.63Å; E275-H284 PolarHBondContact OE1-ND1 3.21Å; V276-H284 WeakPolarHBondContact O-CA 3.33Å; H284-L338 HydrophobicContact CB-CD2 4.09Å
285E92.1Very high88.4Confident15 Ų1547.6 Ų47.67%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-137.5169.2-172.4-60.8-179.2125.600110.1W259 E275 V276 A283 T323 V335W259-E285 VanDerWaalsContact CD1-OE2 3.24Å; W259-E285 PolarHBondContact NE1-OE2 2.85Å; E275-E285 WeakPolarHBondContact CA-O 3.46Å; V276-E285 HydrophobicContact CG2-CB 3.91Å; V276-E285 PolarHBondContact N-O 2.89Å; V276-E285 PolarHBondContact O-N 3.23Å; A283-E285 HydrophobicContact CB-CG 4.36Å; E285-T323 VanDerWaalsContact CD-OG1 3.3Å; E285-T323 WeakPolarHBondContact OE1-CB 3.44Å; E285-T323 WeakPolarHBondContact OE1-CG2 3.45Å; E285-T323 PolarHBondContact OE1-OG1 3.23Å; E285-V335 HydrophobicContact CB-CG1 3.75Å
286A90.2Very high87.5Confident4 Ų453.6 Ų53.63%0.03328%0.276CS..EExtended strand (participates in β ladder)trans-110.1124.2175.100000110.3I265 V273 Y274 V335 M336 L338I265-A286 HydrophobicContact CD1-CB 3.95Å; V273-A286 HydrophobicContact CG1-CB 4.17Å; Y274-A286 CarbonylContact O-C 3.39Å; Y274-A286 VanDerWaalsContact O-CA 3.31Å; Y274-A286 WeakPolarHBondContact O-CA 3.49Å; A286-V335 CarbonylContact O-C 3.52Å; A286-V335 WeakPolarHBondContact O-CA 3.49Å; A286-M336 HydrophobicContact CB-CG 4.15Å; A286-M336 PolarHBondContact N-O 3.07Å; A286-M336 PolarHBondContact O-N 3.38Å; A286-L338 HydrophobicContact CB-CD1 3.98Å
287M91.7Very high86.2Confident0 Ų058.5 Ų58.50%031%0.31CS..EExtended strand (participates in β ladder)trans-106.4111.2174.7179.9179.6-74.100110.5V256 W259 V273 Y274 V276 V289 F333 M334 V335V256-M287 HydrophobicContact CB-CE 3.83Å; V256-M287 HydrophobicContact CB-SD 4.06Å; V256-M287 HydrophobicContact CG1-CE 3.77Å; V256-M287 HydrophobicContact CG1-SD 4.03Å; V256-M287 HydrophobicContact CG2-SD 4.12Å; W259-M287 HydrophobicContact CB-CE 3.68Å; W259-M287 HydrophobicContact CD2-CE 4.25Å; W259-M287 HydrophobicContact CE3-CE 4.31Å; W259-M287 HydrophobicContact CG-CE 3.99Å; V273-M287 CarbonylContact C-O 3.56Å; V273-M287 VanDerWaalsContact CA-O 3.29Å; V273-M287 WeakPolarHBondContact CA-O 3.35Å; Y274-M287 PolarHBondContact N-O 3.11Å; Y274-M287 PolarHBondContact O-N 3.13Å; V276-M287 HydrophobicContact CB-CB 4.45Å; V276-M287 HydrophobicContact CG1-CB 3.49Å; V276-M287 VanDerWaalsContact CG1-CB 3.49Å; V276-M287 HydrophobicContact CG1-CE 4.19Å; V276-M287 HydrophobicContact CG1-CG 4.43Å; V276-M287 HydrophobicContact CG1-SD 4.19Å; V276-M287 HydrophobicContact CG2-CB 4.05Å; M287-V289 HydrophobicContact CG-CG1 3.88Å; M287-V289 HydrophobicContact SD-CG1 4.09Å; M287-F333 HydrophobicContact CE-CD2 3.97Å; M287-F333 HydrophobicContact CE-CE2 4.34Å; M287-F333 HydrophobicContact CG-CB 4.14Å; M287-F333 HydrophobicContact CG-CD2 4.45Å; M287-F333 HydrophobicContact SD-CB 4.33Å; M287-F333 HydrophobicContact SD-CD2 4.4Å; M287-M334 CarbonylContact C-O 3.48Å; M287-M334 VanDerWaalsContact CA-O 3.31Å; M287-M334 WeakPolarHBondContact CA-O 3.15Å; M287-V335 HydrophobicContact CB-CG2 4.29Å; M287-V335 HydrophobicContact CE-CG2 3.53Å; M287-V335 HydrophobicContact CG-CG2 4.18Å
288K89.7Confident84.8Confident35 Ų3559.6 Ų59.615%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-86.6131168.2-175171.1178.9-179.40109.6A272 V273 L301 E304 F333 M334 M336A272-K288 CarbonylContact O-C 3.56Å; A272-K288 WeakPolarHBondContact O-CA 3.26Å; V273-K288 HydrophobicContact CG2-CB 4.18Å; V273-K288 HydrophobicContact CG2-CD 4.43Å; V273-K288 HydrophobicContact CG2-CG 4.07Å; K288-L301 HydrophobicContact CB-CD1 4.26Å; K288-L301 HydrophobicContact CD-CD1 3.85Å; K288-L301 HydrophobicContact CG-CD1 3.86Å; K288-E304 WeakPolarHBondContact CE-OE2 3.45Å; K288-E304 IonicContact NZ-OE1 3.9Å; K288-E304 PolarHBondContact NZ-OE1 3.37Å; K288-E304 IonicContact NZ-OE2 2.98Å; K288-E304 PolarHBondContact NZ-OE2 2.94Å; K288-F333 CarbonylContact O-C 3.55Å; K288-F333 VanDerWaalsContact O-CA 3.23Å; K288-F333 WeakPolarHBondContact O-CA 3.4Å; K288-M334 PolarHBondContact N-O 3Å; K288-M334 PolarHBondContact O-N 3.36Å; K288-M336 HydrophobicContact CB-CE 3.86Å
289V89.1Confident83.9Confident5 Ų562.9 Ų62.93%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-121.4147.6178.3-53.70000111.1G271 A272 Y274 M287 F331 S332 F333G271-V289 WeakPolarHBondContact CA-O 3.33Å; A272-V289 HydrophobicContact CB-CG2 4.26Å; A272-V289 PolarHBondContact N-O 3.1Å; A272-V289 PolarHBondContact O-N 2.89Å; Y274-V289 HydrophobicContact CD2-CG1 4.31Å; Y274-V289 HydrophobicContact CD2-CG2 4.21Å; Y274-V289 HydrophobicContact CE2-CG1 4.46Å; Y274-V289 HydrophobicContact CE2-CG2 3.65Å; M287-V289 HydrophobicContact CG-CG1 3.88Å; M287-V289 HydrophobicContact SD-CG1 4.09Å; V289-F331 HydrophobicContact CB-CD2 4.03Å; V289-F331 HydrophobicContact CG1-CD2 3.98Å; V289-F331 HydrophobicContact CG1-CE2 4.04Å; V289-S332 CarbonylContact C-O 3.54Å; V289-S332 WeakPolarHBondContact CA-O 3.38Å; V289-F333 HydrophobicContact CG1-CB 3.98Å
290E86.8Confident83.3Confident8 Ų862.5 Ų62.54%0.03733%0.33CS..EExtended strand (participates in β ladder)trans-136127.3177.1175.9177.671.600109.2R299 T300 L301 F331 S332E290-R299 HydrophobicContact CG-CG 4.27Å; E290-R299 WeakPolarHBondContact OE1-CB 3.26Å; E290-R299 WeakPolarHBondContact OE2-CA 3.48Å; E290-T300 PolarHBondContact OE2-N 3.42Å; E290-L301 HydrophobicContact CB-CB 3.91Å; E290-L301 HydrophobicContact CB-CD2 3.84Å; E290-L301 HydrophobicContact CB-CG 4.47Å; E290-L301 HydrophobicContact CG-CB 4.44Å; E290-L301 WeakPolarHBondContact OE1-CB 3.49Å; E290-L301 PolarHBondContact OE1-N 3.3Å; E290-L301 PolarHBondContact OE2-N 3.24Å; E290-F331 CarbonylContact O-C 3.56Å; E290-F331 VanDerWaalsContact O-CA 3.25Å; E290-F331 WeakPolarHBondContact O-CA 3.39Å; E290-F331 VanDerWaalsContact O-CB 3.29Å; E290-F331 WeakPolarHBondContact O-CB 3.49Å; E290-S332 PolarHBondContact N-O 3.05Å; E290-S332 PolarHBondContact O-N 3.13Å
291S84.8Confident83Confident7 Ų757 Ų575%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-66.6137.5-179.3168.80000111.3E293 Q294S291-E293 VanDerWaalsContact C-N 3.28Å; S291-E293 PolarHBondContact OG-N 3.04Å; S291-E293 VanDerWaalsContact OG-N 3.14Å; S291-Q294 PolarHBondContact O-N 3.29Å
292R83.6Confident82.7Confident108 Ų10860.1 Ų60.141%0.40830%0.302SS..THydrogen-bonded Turntrans-78.8-13.5175.8-71.1-177.168.9164.71.2113.2Q294 L328 Q329 E330R292-Q294 PolarHBondContact O-N 2.65Å; R292-L328 WeakPolarHBondContact CD-O 3.22Å; R292-L328 PolarHBondContact NH1-O 2.7Å; R292-Q329 WeakPolarHBondContact CD-O 3.42Å; R292-E330 PolarHBondContact N-O 3.11Å
293E81.8Confident82.3Confident124 Ų12457.7 Ų57.758%0.57929%0.292SS*.THydrogen-bonded Turntrans-74.3-14.9173.6-58.1-176.7138.900112S249 S291S249-E293 PolarHBondContact OG-OE2 3.32Å; S291-E293 VanDerWaalsContact C-N 3.28Å; S291-E293 PolarHBondContact OG-N 3.04Å; S291-E293 VanDerWaalsContact OG-N 3.14Å
294Q74.2Confident82Confident14 Ų1456.4 Ų56.47%0.06528%0.28CS..SBendtrans-70144.5177.6-67.7179.610.900112.1F270 S291 R292 E296 R299F270-Q294 PolarHBondContact O-NE2 3.05Å; F270-Q294 PolarHBondContact O-OE1 2.85Å; S291-Q294 PolarHBondContact O-N 3.29Å; R292-Q294 PolarHBondContact O-N 2.65Å; Q294-E296 PolarHBondContact O-N 3.36Å; Q294-R299 HydrophobicContact CB-CG 4.24Å; Q294-R299 PolarHBondContact O-NE 3.02Å
295P75.5Confident81.8Confident70 Ų7052.9 Ų52.946%0.45526%0.264SS..  trans-51.6139.3173.7-25.934000111.7S297 C298 R299P295-S297 PolarHBondContact O-N 2.89Å; P295-S297 VanDerWaalsContact O-N 3.14Å; P295-C298 WeakPolarHBondContact O-CB 3.4Å; P295-C298 PolarHBondContact O-N 2.79Å; P295-R299 PolarHBondContact O-N 2.87Å
296E73.2Confident81.6Confident146 Ų14654.3 Ų54.368%0.68228%0.278SS*.G310 helixtrans-58.6-31.2-177.4-160.3157-175.400113.2Q294 C298 R299Q294-E296 PolarHBondContact O-N 3.36Å; E296-C298 PolarHBondContact O-N 3.14Å; E296-R299 PolarHBondContact O-N 3.3Å; E296-R299 IonicContact OE2-NH2 2.67Å
297S65.2Low81.2Confident103 Ų10354.1 Ų54.172%0.7228%0.276SS*.G310 helixtrans-64.8-18.5175.253.10000114.4P295P295-S297 PolarHBondContact O-N 2.89Å; P295-S297 VanDerWaalsContact O-N 3.14Å
298C65.6Low80.8Confident44 Ų4454.4 Ų54.430%0.29728%0.278SS..G310 helixtrans-99-14177.1-63.20000112.7F270 P295 E296 T300F270-C298 HydrophobicContact CD1-CB 3.97Å; F270-C298 HydrophobicContact CE1-CB 3.93Å; P295-C298 WeakPolarHBondContact O-CB 3.4Å; P295-C298 PolarHBondContact O-N 2.79Å; E296-C298 PolarHBondContact O-N 3.14Å; C298-T300 PolarHBondContact O-N 2.98Å
299R73.3Confident80.8Confident86 Ų8658 Ų5833%0.32529%0.294SS..  trans-79.6113-175.2-72.9-173.7-94.4143.32.6111.1E290 Q294 P295 E296E290-R299 HydrophobicContact CG-CG 4.27Å; E290-R299 WeakPolarHBondContact OE1-CB 3.26Å; E290-R299 WeakPolarHBondContact OE2-CA 3.48Å; Q294-R299 HydrophobicContact CB-CG 4.24Å; Q294-R299 PolarHBondContact O-NE 3.02Å; P295-R299 PolarHBondContact O-N 2.87Å; E296-R299 PolarHBondContact O-N 3.3Å; E296-R299 IonicContact OE2-NH2 2.67Å
300T78.4Confident80.8Confident54 Ų5459.8 Ų59.833%0.33130%0.302SS..  trans-107.3-19.3-178.366.10000113.3E290 C298 K302 Q303 E304E290-T300 PolarHBondContact OE2-N 3.42Å; C298-T300 PolarHBondContact O-N 2.98Å; T300-K302 VanDerWaalsContact C-N 3.28Å; T300-K302 PolarHBondContact O-N 3.25Å; T300-K302 VanDerWaalsContact O-N 3.17Å; T300-Q303 WeakPolarHBondContact O-CB 3.44Å; T300-Q303 PolarHBondContact O-N 3Å; T300-E304 PolarHBondContact O-N 2.76Å; T300-E304 PolarHBondContact OG1-OE1 3.47Å
301L83.6Confident80.6Confident1 Ų159.8 Ų59.81%0.00530%0.302CS..Hα-helixtrans-61.5-35.1-167.6-16765.5000113.1K288 E290 Q303 E304 I305 S332 M334K288-L301 HydrophobicContact CB-CD1 4.26Å; K288-L301 HydrophobicContact CD-CD1 3.85Å; K288-L301 HydrophobicContact CG-CD1 3.86Å; E290-L301 HydrophobicContact CB-CB 3.91Å; E290-L301 HydrophobicContact CB-CD2 3.84Å; E290-L301 HydrophobicContact CB-CG 4.47Å; E290-L301 HydrophobicContact CG-CB 4.44Å; E290-L301 WeakPolarHBondContact OE1-CB 3.49Å; E290-L301 PolarHBondContact OE1-N 3.3Å; E290-L301 PolarHBondContact OE2-N 3.24Å; L301-Q303 VanDerWaalsContact C-N 3.32Å; L301-Q303 PolarHBondContact O-N 3.4Å; L301-E304 PolarHBondContact O-N 2.74Å; L301-I305 HydrophobicContact CG-CD1 4.04Å; L301-I305 HydrophobicContact CG-CG1 4.45Å; L301-I305 WeakPolarHBondContact O-CD1 3.28Å; L301-I305 VanDerWaalsContact O-CG1 3.23Å; L301-I305 WeakPolarHBondContact O-CG1 3.48Å; L301-I305 PolarHBondContact O-N 3.4Å; L301-S332 VanDerWaalsContact CD2-O 3.32Å; L301-S332 WeakPolarHBondContact CD2-O 3.28Å; L301-M334 HydrophobicContact CD1-CB 3.93Å; L301-M334 HydrophobicContact CD1-CE 4.43Å; L301-M334 HydrophobicContact CG-CB 4.39Å
302K86.2Confident80.6Confident158 Ų15861.7 Ų61.769%0.68731%0.312SS*.Hα-helixtrans-59.6-42.6175.5-176.4-174.1175.3-170.40112T300 A306T300-K302 VanDerWaalsContact C-N 3.28Å; T300-K302 PolarHBondContact O-N 3.25Å; T300-K302 VanDerWaalsContact O-N 3.17Å; K302-A306 PolarHBondContact O-N 3.14Å
303Q82Confident80.8Confident86 Ų8662.7 Ų62.740%0.40232%0.321SS..Hα-helixtrans-69.4-43.6178.8-174.365.824.300110.3T300 L301 I305 A306 V307T300-Q303 WeakPolarHBondContact O-CB 3.44Å; T300-Q303 PolarHBondContact O-N 3Å; L301-Q303 VanDerWaalsContact C-N 3.32Å; L301-Q303 PolarHBondContact O-N 3.4Å; Q303-I305 PolarHBondContact O-N 3.18Å; Q303-A306 PolarHBondContact O-N 3.47Å; Q303-V307 VanDerWaalsContact O-CG2 3.28Å; Q303-V307 WeakPolarHBondContact O-CG2 3.46Å; Q303-V307 PolarHBondContact O-N 3.37Å
304E83.7Confident80.9Confident15 Ų1561.7 Ų61.77%0.0732%0.319CS..Hα-helixtrans-59.1-44.6177-67.1-178.6-155.200112.3K288 T300 L301 A306 V307 L308 I383K288-E304 WeakPolarHBondContact CE-OE2 3.45Å; K288-E304 IonicContact NZ-OE1 3.9Å; K288-E304 PolarHBondContact NZ-OE1 3.37Å; K288-E304 IonicContact NZ-OE2 2.98Å; K288-E304 PolarHBondContact NZ-OE2 2.94Å; T300-E304 PolarHBondContact O-N 2.76Å; T300-E304 PolarHBondContact OG1-OE1 3.47Å; L301-E304 PolarHBondContact O-N 2.74Å; E304-A306 VanDerWaalsContact C-N 3.35Å; E304-A306 PolarHBondContact O-N 3.48Å; E304-V307 PolarHBondContact O-N 3.31Å; E304-L308 WeakPolarHBondContact O-CB 3.39Å; E304-L308 PolarHBondContact O-N 3.15Å; E304-I383 WeakPolarHBondContact CG-O 3.33Å
305I87.3Confident81.2Confident28 Ų2869.7 Ų69.714%0.14435%0.354CS..Hα-helixtrans-59.2-46.1175.4-69.8160.7000110.6L301 Q303 V307 L308 K309 L322 M334L301-I305 HydrophobicContact CG-CD1 4.04Å; L301-I305 HydrophobicContact CG-CG1 4.45Å; L301-I305 WeakPolarHBondContact O-CD1 3.28Å; L301-I305 VanDerWaalsContact O-CG1 3.23Å; L301-I305 WeakPolarHBondContact O-CG1 3.48Å; L301-I305 PolarHBondContact O-N 3.4Å; Q303-I305 PolarHBondContact O-N 3.18Å; I305-V307 PolarHBondContact O-N 2.91Å; I305-L308 PolarHBondContact O-N 3.04Å; I305-K309 WeakPolarHBondContact O-CB 3.42Å; I305-K309 PolarHBondContact O-N 2.8Å; I305-L322 HydrophobicContact CG2-CD2 4.28Å; I305-M334 HydrophobicContact CB-SD 4.29Å; I305-M334 HydrophobicContact CD1-CB 4.11Å; I305-M334 HydrophobicContact CG1-CB 3.74Å; I305-M334 HydrophobicContact CG1-CG 3.71Å; I305-M334 HydrophobicContact CG1-SD 3.54Å; I305-M334 VanDerWaalsContact CG1-SD 3.54Å
306A87.4Confident81.1Confident44 Ų4467.1 Ų67.136%0.36434%0.338SS..Hα-helixtrans-61.7-45-178.600000111.7K302 Q303 E304 K309 E310K302-A306 PolarHBondContact O-N 3.14Å; Q303-A306 PolarHBondContact O-N 3.47Å; E304-A306 VanDerWaalsContact C-N 3.35Å; E304-A306 PolarHBondContact O-N 3.48Å; A306-K309 PolarHBondContact O-N 3.05Å; A306-E310 PolarHBondContact O-N 2.76Å; A306-E310 VanDerWaalsContact O-N 3.07Å
307V82.9Confident80.7Confident0 Ų068.4 Ų68.40%034%0.337CS..Hα-helixtrans-67.9-45.1179.8178.30000111.3Q303 E304 I305 K309 E310 L311 L364 I367 Y369 I383 S385Q303-V307 VanDerWaalsContact O-CG2 3.28Å; Q303-V307 WeakPolarHBondContact O-CG2 3.46Å; Q303-V307 PolarHBondContact O-N 3.37Å; E304-V307 PolarHBondContact O-N 3.31Å; I305-V307 PolarHBondContact O-N 2.91Å; V307-K309 VanDerWaalsContact C-N 3.31Å; V307-K309 PolarHBondContact O-N 3.35Å; V307-E310 PolarHBondContact O-N 3.45Å; V307-L311 HydrophobicContact CG1-CD1 4.33Å; V307-L311 WeakPolarHBondContact O-CG 3.18Å; V307-L311 PolarHBondContact O-N 3.24Å; V307-L364 HydrophobicContact CG1-CD1 3.68Å; V307-I367 HydrophobicContact CG1-CD1 4.17Å; V307-Y369 HydrophobicContact CG1-CD2 4.28Å; V307-Y369 HydrophobicContact CG1-CG 4.23Å; V307-Y369 HydrophobicContact CG2-CD1 3.74Å; V307-Y369 HydrophobicContact CG2-CD2 4.32Å; V307-Y369 HydrophobicContact CG2-CE1 3.52Å; V307-Y369 HydrophobicContact CG2-CE2 4.13Å; V307-Y369 HydrophobicContact CG2-CG 4.14Å; V307-I383 HydrophobicContact CG1-CD1 4.45Å; V307-I383 HydrophobicContact CG1-CG2 4.07Å; V307-S385 WeakPolarHBondContact CG2-OG 3.13Å
308L83.7Confident80.7Confident6 Ų667.2 Ų67.23%0.03132%0.323CS..Hα-helixtrans-64.6-37.7179.2-170.461.7000111.8E304 I305 L311 N312 C319 C320 L322 M334 M336 I383E304-L308 WeakPolarHBondContact O-CB 3.39Å; E304-L308 PolarHBondContact O-N 3.15Å; I305-L308 PolarHBondContact O-N 3.04Å; L308-L311 HydrophobicContact CD1-CD1 4.46Å; L308-L311 PolarHBondContact O-N 3.42Å; L308-N312 PolarHBondContact O-N 3.44Å; L308-N312 PolarHBondContact O-ND2 3.23Å; L308-N312 PolarHBondContact O-OD1 3.11Å; L308-C319 HydrophobicContact CD1-CB 4.13Å; L308-C320 VanDerWaalsContact CD1-O 3.29Å; L308-C320 WeakPolarHBondContact CD1-O 3.27Å; L308-L322 HydrophobicContact CD2-CB 4.06Å; L308-L322 HydrophobicContact CD2-CD1 4.25Å; L308-L322 HydrophobicContact CG-CB 4.19Å; L308-M334 HydrophobicContact CD2-CE 4.18Å; L308-M334 HydrophobicContact CD2-SD 3.89Å; L308-M336 HydrophobicContact CD2-CB 4.28Å; L308-M336 HydrophobicContact CD2-SD 4.47Å; L308-I383 HydrophobicContact CD1-CD1 4.36Å
309K88.9Confident80.9Confident112 Ų11266.9 Ų66.949%0.48732%0.32SS..Hα-helixtrans-61.1-48.9174.1-174.2178176.1-176.50111.6I305 A306 V307 L311 N312 E313 L322I305-K309 WeakPolarHBondContact O-CB 3.42Å; I305-K309 PolarHBondContact O-N 2.8Å; A306-K309 PolarHBondContact O-N 3.05Å; V307-K309 VanDerWaalsContact C-N 3.31Å; V307-K309 PolarHBondContact O-N 3.35Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.22Å; K309-N312 PolarHBondContact O-N 3.24Å; K309-E313 WeakPolarHBondContact CE-OE1 3.12Å; K309-E313 WeakPolarHBondContact O-CG 3.45Å; K309-E313 PolarHBondContact O-N 3.13Å; K309-L322 HydrophobicContact CB-CD2 3.86Å; K309-L322 HydrophobicContact CG-CD2 4.37Å
310E88Confident80.9Confident42 Ų4263.5 Ų63.520%0.19631%0.31CS..Hα-helixtrans-63-38.8178.3-170.7170.3171.400111.5A306 V307 E313 N314 I367 Y369 R387A306-E310 PolarHBondContact O-N 2.76Å; A306-E310 VanDerWaalsContact O-N 3.07Å; V307-E310 PolarHBondContact O-N 3.45Å; E310-E313 PolarHBondContact O-N 3.25Å; E310-N314 WeakPolarHBondContact O-CB 3.48Å; E310-N314 PolarHBondContact O-N 3.07Å; E310-N314 PolarHBondContact O-ND2 2.86Å; E310-I367 HydrophobicContact CB-CD1 4.06Å; E310-I367 HydrophobicContact CG-CB 4.08Å; E310-I367 HydrophobicContact CG-CD1 4.08Å; E310-I367 HydrophobicContact CG-CG2 4.19Å; E310-Y369 WeakPolarHBondContact OE2-CE2 3.46Å; E310-R387 IonicContact OE1-NH2 3.95Å; E310-R387 IonicContact OE2-NH2 3.95Å
311L82.7Confident81.2Confident8 Ų862.9 Ų62.94%0.04231%0.31CS..Hα-helixtrans-60-46.6173-75.8172.9000112.2V307 L308 K309 N314 K315 A316 C319 D363 L364 I367 I383V307-L311 HydrophobicContact CG1-CD1 4.33Å; V307-L311 WeakPolarHBondContact O-CG 3.18Å; V307-L311 PolarHBondContact O-N 3.24Å; L308-L311 HydrophobicContact CD1-CD1 4.46Å; L308-L311 PolarHBondContact O-N 3.42Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.22Å; L311-N314 CarbonylContact O-C 3.58Å; L311-N314 PolarHBondContact O-N 2.9Å; L311-K315 PolarHBondContact O-N 3.41Å; L311-A316 HydrophobicContact CB-CB 4Å; L311-A316 HydrophobicContact CD2-CB 3.85Å; L311-A316 VanDerWaalsContact O-CB 3.28Å; L311-A316 WeakPolarHBondContact O-CB 3.27Å; L311-A316 PolarHBondContact O-N 3.23Å; L311-C319 HydrophobicContact CB-CB 4.47Å; L311-C319 HydrophobicContact CD1-CB 4.09Å; L311-D363 HydrophobicContact CD2-CB 4.3Å; L311-L364 HydrophobicContact CD1-CD1 4.19Å; L311-L364 HydrophobicContact CD2-CD1 4.44Å; L311-I367 HydrophobicContact CB-CD1 4.44Å; L311-I367 HydrophobicContact CD2-CD1 3.5Å; L311-I367 HydrophobicContact CD2-CG1 3.83Å; L311-I367 HydrophobicContact CG-CD1 3.51Å; L311-I367 HydrophobicContact CG-CG1 4.38Å; L311-I383 HydrophobicContact CD1-CD1 3.94Å
312N84.9Confident81.4Confident47 Ų4764.7 Ų64.725%0.25132%0.32SS..Hα-helixtrans-66.9-40.9179.9-66.7170000112.3L308 K309 N314 K315 C319 C320 L322L308-N312 PolarHBondContact O-N 3.44Å; L308-N312 PolarHBondContact O-ND2 3.23Å; L308-N312 PolarHBondContact O-OD1 3.11Å; K309-N312 PolarHBondContact O-N 3.24Å; N312-N314 PolarHBondContact O-N 2.85Å; N312-K315 PolarHBondContact O-N 2.88Å; N312-C319 PolarHBondContact ND2-SG 2.9Å; N312-C320 PolarHBondContact ND2-O 3.42Å; N312-L322 WeakPolarHBondContact OD1-CB 3.44Å; N312-L322 PolarHBondContact OD1-N 3.41Å
313E89.4Confident81.6Confident128 Ų12860 Ų6060%0.59830%0.304SS*.Hα-helixtrans-60.5-35.9174.6-74173178.500111.8K309 E310 K315K309-E313 WeakPolarHBondContact CE-OE1 3.12Å; K309-E313 WeakPolarHBondContact O-CG 3.45Å; K309-E313 PolarHBondContact O-N 3.13Å; E310-E313 PolarHBondContact O-N 3.25Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 3.35Å
314N83.3Confident82.1Confident103 Ų10356.5 Ų56.555%0.55129%0.292SS*.THydrogen-bonded Turntrans-84.18175.1-75-85.9000114E310 L311 N312 A316 I367E310-N314 WeakPolarHBondContact O-CB 3.48Å; E310-N314 PolarHBondContact O-N 3.07Å; E310-N314 PolarHBondContact O-ND2 2.86Å; L311-N314 CarbonylContact O-C 3.58Å; L311-N314 PolarHBondContact O-N 2.9Å; N312-N314 PolarHBondContact O-N 2.85Å; N314-A316 PolarHBondContact O-N 3.21Å; N314-I367 HydrophobicContact CB-CG2 4.02Å
315K80.1Confident82.5Confident182 Ų18258.6 Ų58.679%0.79131%0.308SS*.THydrogen-bonded Turntrans54.537.6178.9-55.1178.9-178.6177.30113.2L311 N312 E313 R317L311-K315 PolarHBondContact O-N 3.41Å; N312-K315 PolarHBondContact O-N 2.88Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 3.35Å; K315-R317 PolarHBondContact O-N 3.47Å
316A73.7Confident82.8Confident16 Ų1658.1 Ų58.113%0.13231%0.31CS..  trans-55.5134.9174.400000110.5L311 N314 D363L311-A316 HydrophobicContact CB-CB 4Å; L311-A316 HydrophobicContact CD2-CB 3.85Å; L311-A316 VanDerWaalsContact O-CB 3.28Å; L311-A316 WeakPolarHBondContact O-CB 3.27Å; L311-A316 PolarHBondContact O-N 3.23Å; N314-A316 PolarHBondContact O-N 3.21Å; A316-D363 WeakPolarHBondContact CA-OD2 3.24Å; A316-D363 HydrophobicContact CB-CB 3.63Å
317R64.2Low82.9Confident174 Ų17462.4 Ų62.466%0.65732%0.32SS*.THydrogen-bonded Turntrans-83-27.3-166.6-75.2-177.3-86.5-169.5-6113.7K315 D363K315-R317 PolarHBondContact O-N 3.47Å; R317-D363 PolarHBondContact N-OD2 3.09Å
318N65.9Low83.2Confident77 Ų7765 Ų6541%0.41233%0.334SS..THydrogen-bonded Turntrans-120.539.7-169.4-58-47.3000112.1A360N318-A360 HydrophobicContact CB-CB 3.84Å
319C68.7Low83.2Confident37 Ų3772.7 Ų72.725%0.2537%0.37CS..SBendtrans-128.3153.5174.264.10000110.8L308 L311 N312L308-C319 HydrophobicContact CD1-CB 4.13Å; L311-C319 HydrophobicContact CB-CB 4.47Å; L311-C319 HydrophobicContact CD1-CB 4.09Å; N312-C319 PolarHBondContact ND2-SG 2.9Å
320C74.8Confident83Confident15 Ų1572 Ų7210%0.10137%0.368CS..  trans-61.1146.8173.1-570000110.7L308 N312 M336 V339 A380L308-C320 VanDerWaalsContact CD1-O 3.29Å; L308-C320 WeakPolarHBondContact CD1-O 3.27Å; N312-C320 PolarHBondContact ND2-O 3.42Å; C320-M336 HydrophobicContact CB-CB 3.97Å; C320-M336 HydrophobicContact CB-CG 4.21Å; C320-M336 HydrophobicContact CB-SD 4.19Å; C320-V339 WeakPolarHBondContact SG-CG1 3.29Å; C320-A380 PolarHBondContact SG-O 2.87Å
321A83.3Confident83Confident42 Ų4271 Ų7135%0.34736%0.363SS..  trans-80.6126169.500000109T323 M336 S337A321-T323 PolarHBondContact O-N 3.28Å; A321-M336 CarbonylContact O-C 3.55Å; A321-M336 WeakPolarHBondContact O-CA 3.43Å; A321-M336 WeakPolarHBondContact O-CB 3.4Å; A321-S337 VanDerWaalsContact CB-OG 3.27Å; A321-S337 WeakPolarHBondContact CB-OG 3.47Å; A321-S337 PolarHBondContact N-OG 3.41Å; A321-S337 VanDerWaalsContact N-OG 3.12Å; A321-S337 PolarHBondContact O-N 3.23Å; A321-S337 PolarHBondContact O-OG 3.49Å
322L89.2Confident83.4Confident38 Ų3871.3 Ų71.320%0.19937%0.366CS..EExtended strand (participates in β ladder)trans-73.7115.1169.9-179.570.6000108.2I305 L308 K309 N312 G324 M334I305-L322 HydrophobicContact CG2-CD2 4.28Å; L308-L322 HydrophobicContact CD2-CB 4.06Å; L308-L322 HydrophobicContact CD2-CD1 4.25Å; L308-L322 HydrophobicContact CG-CB 4.19Å; K309-L322 HydrophobicContact CB-CD2 3.86Å; K309-L322 HydrophobicContact CG-CD2 4.37Å; N312-L322 WeakPolarHBondContact OD1-CB 3.44Å; N312-L322 PolarHBondContact OD1-N 3.41Å; L322-G324 WeakPolarHBondContact CD1-O 3.31Å; L322-M334 HydrophobicContact CD1-CG 3.3Å; L322-M334 HydrophobicContact CD1-SD 3.83Å
323T90.1Very high83.8Confident60 Ų6069.1 Ų69.137%0.36835%0.354SS..EExtended strand (participates in β ladder)trans-107.6-16.3-177.460.60000112.9E285 A321 V335E285-T323 VanDerWaalsContact CD-OG1 3.3Å; E285-T323 WeakPolarHBondContact OE1-CB 3.44Å; E285-T323 WeakPolarHBondContact OE1-CG2 3.45Å; E285-T323 PolarHBondContact OE1-OG1 3.23Å; A321-T323 PolarHBondContact O-N 3.28Å; T323-V335 PolarHBondContact N-O 3.47Å; T323-V335 WeakPolarHBondContact OG1-CG1 3.4Å; T323-V335 PolarHBondContact OG1-O 2.85Å
324G91Very high83.9Confident13 Ų1363.2 Ų63.213%0.13433%0.327CS..EExtended strand (participates in β ladder)trans-167.7161.8174.200000112.2L322 V335L322-G324 WeakPolarHBondContact CD1-O 3.31Å; G324-V335 PolarHBondContact N-O 3.15Å; G324-V335 PolarHBondContact O-N 3.24Å
325S93.9Very high84.3Confident59 Ų5958.3 Ų58.341%0.41330%0.3SS..EExtended strand (participates in β ladder)trans-160.9150.4168.4640000108.7F333S325-F333 VanDerWaalsContact CA-O 3.28Å; S325-F333 WeakPolarHBondContact CA-O 3.37Å
326G92Very high84.7Confident17 Ų1749.9 Ų49.918%0.17526%0.264CS..EExtended strand (participates in β ladder)trans-164.3176.5-179.500000112.7F333G326-F333 VanDerWaalsContact CA-CE1 3.42Å; G326-F333 PolarHBondContact N-O 3.21Å; G326-F333 PolarHBondContact O-N 3.24Å
327K90.9Very high85.3Confident134 Ų13451.2 Ų51.258%0.58327%0.272SS*.EExtended strand (participates in β ladder)trans-132.2115.6177-60.7-178.3-176.4173.40107.9
328L88.3Confident86.1Confident55 Ų5545.9 Ų45.929%0.28826%0.256SS..  trans-95178.8168.3-64.5177.5000109.2V256 R292 E330 F331 F333V256-L328 HydrophobicContact CG1-CD1 3.91Å; R292-L328 WeakPolarHBondContact CD-O 3.22Å; R292-L328 PolarHBondContact NH1-O 2.7Å; L328-E330 VanDerWaalsContact C-N 3.35Å; L328-F331 HydrophobicContact CD1-CE1 4Å; L328-F331 HydrophobicContact CD1-CE2 3.86Å; L328-F331 HydrophobicContact CD1-CZ 3.43Å; L328-F331 VanDerWaalsContact CD1-CZ 3.43Å; L328-F331 HydrophobicContact CG-CZ 4.47Å; L328-F331 PolarHBondContact N-O 2.81Å; L328-F333 HydrophobicContact CD1-CE1 4.46Å; L328-F333 HydrophobicContact CG-CD1 4.48Å; L328-F333 HydrophobicContact CG-CE1 4.19Å
329Q84.2Confident86.4Confident168 Ų16845 Ų4579%0.78525%0.253SS*.SBendtrans-62.2-44.1179.7-173.1174.7-15.600111.4R292R292-Q329 WeakPolarHBondContact CD-O 3.42Å
330E84.3Confident86.2Confident96 Ų9645.9 Ų45.945%0.44927%0.269SS..SBendtrans-89.4-32.6-172.5-55.3-58.8105.600113.6R292 L328R292-E330 PolarHBondContact N-O 3.11Å; L328-E330 VanDerWaalsContact C-N 3.35Å
331F89.1Confident85.4Confident22 Ų2249.5 Ų49.510%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-147.8157.7-174.262.1-89.7000112.4P252 V256 V289 E290 L328 F333P252-F331 HydrophobicContact CB-CE1 3.95Å; P252-F331 HydrophobicContact CB-CE2 4.22Å; P252-F331 HydrophobicContact CB-CZ 3.61Å; V256-F331 HydrophobicContact CG1-CE2 4.27Å; V256-F331 HydrophobicContact CG1-CZ 4.33Å; V256-F331 HydrophobicContact CG2-CE2 4.4Å; V256-F331 HydrophobicContact CG2-CZ 3.9Å; V289-F331 HydrophobicContact CB-CD2 4.03Å; V289-F331 HydrophobicContact CG1-CD2 3.98Å; V289-F331 HydrophobicContact CG1-CE2 4.04Å; E290-F331 CarbonylContact O-C 3.56Å; E290-F331 VanDerWaalsContact O-CA 3.25Å; E290-F331 WeakPolarHBondContact O-CA 3.39Å; E290-F331 VanDerWaalsContact O-CB 3.29Å; E290-F331 WeakPolarHBondContact O-CB 3.49Å; L328-F331 HydrophobicContact CD1-CE1 4Å; L328-F331 HydrophobicContact CD1-CE2 3.86Å; L328-F331 HydrophobicContact CD1-CZ 3.43Å; L328-F331 VanDerWaalsContact CD1-CZ 3.43Å; L328-F331 HydrophobicContact CG-CZ 4.47Å; L328-F331 PolarHBondContact N-O 2.81Å; F331-F333 HydrophobicContact CD2-CB 4.14Å; F331-F333 HydrophobicContact CD2-CD1 4.4Å; F331-F333 HydrophobicContact CE2-CB 4.09Å; F331-F333 HydrophobicContact CE2-CD1 4.02Å; F331-F333 HydrophobicContact CE2-CG 4.4Å
332S90.4Very high84.5Confident15 Ų1549 Ų4911%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-98.9150.4164-55.20000109V289 E290 L301V289-S332 CarbonylContact C-O 3.54Å; V289-S332 WeakPolarHBondContact CA-O 3.38Å; E290-S332 PolarHBondContact N-O 3.05Å; E290-S332 PolarHBondContact O-N 3.13Å; L301-S332 VanDerWaalsContact CD2-O 3.32Å; L301-S332 WeakPolarHBondContact CD2-O 3.28Å
333F92.2Very high83.3Confident0 Ų048.5 Ų48.50%028%0.283CS..EExtended strand (participates in β ladder)trans-139.7154.7-179.670.5-88.7000112.7V256 E257 W259 M287 K288 V289 S325 G326 L328 F331 V335V256-F333 HydrophobicContact CG1-CD1 4.02Å; V256-F333 HydrophobicContact CG1-CD2 4.45Å; V256-F333 HydrophobicContact CG1-CE1 3.9Å; V256-F333 HydrophobicContact CG1-CE2 4.35Å; V256-F333 HydrophobicContact CG1-CG 4.3Å; V256-F333 HydrophobicContact CG1-CZ 4.07Å; E257-F333 HydrophobicContact CG-CZ 4.35Å; W259-F333 HydrophobicContact CE3-CE2 4.33Å; W259-F333 HydrophobicContact CZ3-CE2 4.08Å; W259-F333 HydrophobicContact CZ3-CZ 4.45Å; M287-F333 HydrophobicContact CE-CD2 3.97Å; M287-F333 HydrophobicContact CE-CE2 4.34Å; M287-F333 HydrophobicContact CG-CB 4.14Å; M287-F333 HydrophobicContact CG-CD2 4.45Å; M287-F333 HydrophobicContact SD-CB 4.33Å; M287-F333 HydrophobicContact SD-CD2 4.4Å; K288-F333 CarbonylContact O-C 3.55Å; K288-F333 VanDerWaalsContact O-CA 3.23Å; K288-F333 WeakPolarHBondContact O-CA 3.4Å; V289-F333 HydrophobicContact CG1-CB 3.98Å; S325-F333 VanDerWaalsContact CA-O 3.28Å; S325-F333 WeakPolarHBondContact CA-O 3.37Å; G326-F333 VanDerWaalsContact CA-CE1 3.42Å; G326-F333 PolarHBondContact N-O 3.21Å; G326-F333 PolarHBondContact O-N 3.24Å; L328-F333 HydrophobicContact CD1-CE1 4.46Å; L328-F333 HydrophobicContact CG-CD1 4.48Å; L328-F333 HydrophobicContact CG-CE1 4.19Å; F331-F333 HydrophobicContact CD2-CB 4.14Å; F331-F333 HydrophobicContact CD2-CD1 4.4Å; F331-F333 HydrophobicContact CE2-CB 4.09Å; F331-F333 HydrophobicContact CE2-CD1 4.02Å; F331-F333 HydrophobicContact CE2-CG 4.4Å; F333-V335 HydrophobicContact CD2-CG2 3.89Å; F333-V335 HydrophobicContact CE2-CG2 4.07Å
334M91.6Very high82.1Confident5 Ų546.2 Ų46.23%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-132.8129.1173-177.4175.67000108.1M287 K288 L301 I305 L308 L322 M336M287-M334 CarbonylContact C-O 3.48Å; M287-M334 VanDerWaalsContact CA-O 3.31Å; M287-M334 WeakPolarHBondContact CA-O 3.15Å; K288-M334 PolarHBondContact N-O 3Å; K288-M334 PolarHBondContact O-N 3.36Å; L301-M334 HydrophobicContact CD1-CB 3.93Å; L301-M334 HydrophobicContact CD1-CE 4.43Å; L301-M334 HydrophobicContact CG-CB 4.39Å; I305-M334 HydrophobicContact CB-SD 4.29Å; I305-M334 HydrophobicContact CD1-CB 4.11Å; I305-M334 HydrophobicContact CG1-CB 3.74Å; I305-M334 HydrophobicContact CG1-CG 3.71Å; I305-M334 HydrophobicContact CG1-SD 3.54Å; I305-M334 VanDerWaalsContact CG1-SD 3.54Å; L308-M334 HydrophobicContact CD2-CE 4.18Å; L308-M334 HydrophobicContact CD2-SD 3.89Å; L322-M334 HydrophobicContact CD1-CG 3.3Å; L322-M334 HydrophobicContact CD1-SD 3.83Å; M334-M336 HydrophobicContact CE-CE 3.52Å; M334-M336 HydrophobicContact CE-SD 3.86Å
335V92Very high80.7Confident0 Ų047.8 Ų47.80%028%0.277CS..EExtended strand (participates in β ladder)trans-108.6130.9174.7-166.30000109.2W259 V276 E285 A286 M287 T323 G324 F333W259-V335 HydrophobicContact CD2-CG2 3.95Å; W259-V335 HydrophobicContact CE3-CG2 4.28Å; W259-V335 HydrophobicContact CG-CG2 4.35Å; W259-V335 HydrophobicContact CZ2-CB 4.35Å; W259-V335 HydrophobicContact CZ2-CG2 4.16Å; V276-V335 HydrophobicContact CG2-CG1 4.03Å; E285-V335 HydrophobicContact CB-CG1 3.75Å; A286-V335 CarbonylContact O-C 3.52Å; A286-V335 WeakPolarHBondContact O-CA 3.49Å; M287-V335 HydrophobicContact CB-CG2 4.29Å; M287-V335 HydrophobicContact CE-CG2 3.53Å; M287-V335 HydrophobicContact CG-CG2 4.18Å; T323-V335 PolarHBondContact N-O 3.47Å; T323-V335 WeakPolarHBondContact OG1-CG1 3.4Å; T323-V335 PolarHBondContact OG1-O 2.85Å; G324-V335 PolarHBondContact N-O 3.15Å; G324-V335 PolarHBondContact O-N 3.24Å; F333-V335 HydrophobicContact CD2-CG2 3.89Å; F333-V335 HydrophobicContact CE2-CG2 4.07Å
336M90Very high79.1Confident5 Ų545.5 Ų45.53%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-140.3166.1-177.965.6-168.8127.300111.6A286 K288 L308 C320 A321 M334 L338 V381A286-M336 HydrophobicContact CB-CG 4.15Å; A286-M336 PolarHBondContact N-O 3.07Å; A286-M336 PolarHBondContact O-N 3.38Å; K288-M336 HydrophobicContact CB-CE 3.86Å; L308-M336 HydrophobicContact CD2-CB 4.28Å; L308-M336 HydrophobicContact CD2-SD 4.47Å; C320-M336 HydrophobicContact CB-CB 3.97Å; C320-M336 HydrophobicContact CB-CG 4.21Å; C320-M336 HydrophobicContact CB-SD 4.19Å; A321-M336 CarbonylContact O-C 3.55Å; A321-M336 WeakPolarHBondContact O-CA 3.43Å; A321-M336 WeakPolarHBondContact O-CB 3.4Å; M334-M336 HydrophobicContact CE-CE 3.52Å; M334-M336 HydrophobicContact CE-SD 3.86Å; M336-L338 PolarHBondContact O-N 3.37Å; M336-V381 HydrophobicContact CE-CG1 3.42Å; M336-V381 VanDerWaalsContact CE-CG1 3.42Å; M336-V381 HydrophobicContact SD-CG1 3.79Å
337S84.9Confident77.6Confident43 Ų4346.2 Ų46.230%0.30126%0.261SS..EExtended strand (participates in β ladder)trans-49.7131.7173.9-51.70000111.5A321 V339A321-S337 VanDerWaalsContact CB-OG 3.27Å; A321-S337 WeakPolarHBondContact CB-OG 3.47Å; A321-S337 PolarHBondContact N-OG 3.41Å; A321-S337 VanDerWaalsContact N-OG 3.12Å; A321-S337 PolarHBondContact O-N 3.23Å; A321-S337 PolarHBondContact O-OG 3.49Å; S337-V339 PolarHBondContact O-N 3.26Å
338L81.7Confident76.3Confident63 Ų6345.8 Ų45.833%0.3326%0.259SS..PPolyproline II helixtrans-69.6118.6172.2-174.564.4000108.9I265 E275 H284 A286 M336I265-L338 HydrophobicContact CD1-CD1 3.51Å; E275-L338 HydrophobicContact CG-CD2 4.14Å; H284-L338 HydrophobicContact CB-CD2 4.09Å; A286-L338 HydrophobicContact CB-CD1 3.98Å; M336-L338 PolarHBondContact O-N 3.37Å
339V71.9Confident74.9Confident57 Ų5748.8 Ų48.835%0.34528%0.275SS..PPolyproline II helixtrans-100.4159.8179.7-69.40000111C320 S337 A380 V381C320-V339 WeakPolarHBondContact SG-CG1 3.29Å; S337-V339 PolarHBondContact O-N 3.26Å; V339-A380 HydrophobicContact CB-CB 4.45Å; V339-A380 HydrophobicContact CG2-CB 3.78Å; V339-V381 HydrophobicContact CG2-CG2 3.81Å
340G64.3Low73.4Confident57 Ų5741.7 Ų41.759%0.58825%0.245SC*.  trans-64.5-170.7176.500000113.7
341P59.2Low71.8Confident91 Ų9144.9 Ų44.959%0.59126%0.257SS*.SBendtrans-56.4145.6178.624.6-33.7000111.6V346P341-V346 HydrophobicContact CG-CG2 4.35Å
342S63.9Low70Confident31 Ų3150.2 Ų50.222%0.21728%0.28CS..  trans-56.9155.1175.272.20000111.2E344 S345 V346S342-E344 PolarHBondContact O-N 2.73Å; S342-S345 WeakPolarHBondContact O-CA 3.38Å; S342-S345 VanDerWaalsContact O-CB 3.26Å; S342-S345 WeakPolarHBondContact O-CB 3.36Å; S342-S345 PolarHBondContact O-N 3.19Å; S342-S345 PolarHBondContact OG-N 3.43Å; S342-S345 PolarHBondContact OG-OG 3.19Å; S342-V346 PolarHBondContact O-N 3.22Å
343F63.6Low68Low27 Ų2750.5 Ų50.512%0.11828%0.281CS..Hα-helixtrans-61.3-29.7177.7-152-112.7000111.4S345 V346 V347 P357 P376 I433 I437F343-S345 VanDerWaalsContact C-N 3.33Å; F343-S345 PolarHBondContact O-N 3.37Å; F343-V346 PolarHBondContact O-N 2.81Å; F343-V347 HydrophobicContact CD1-CG2 3.99Å; F343-V347 HydrophobicContact CE1-CG2 4.16Å; F343-V347 WeakPolarHBondContact O-CB 3.09Å; F343-V347 WeakPolarHBondContact O-CG2 3.33Å; F343-V347 PolarHBondContact O-N 2.95Å; F343-P357 HydrophobicContact CE1-CB 4.14Å; F343-P357 HydrophobicContact CE1-CG 3.87Å; F343-P357 HydrophobicContact CE2-CB 4.1Å; F343-P357 HydrophobicContact CZ-CB 3.71Å; F343-P357 HydrophobicContact CZ-CG 3.79Å; F343-P376 HydrophobicContact CB-CB 4.1Å; F343-P376 WeakPolarHBondContact CB-O 3.1Å; F343-P376 HydrophobicContact CD1-CB 4.36Å; F343-P376 PolarHBondContact N-O 3.38Å; F343-P376 VanDerWaalsContact N-O 3.11Å; F343-I433 HydrophobicContact CD1-CG2 4.37Å; F343-I433 HydrophobicContact CE1-CG2 4.27Å; F343-I437 HydrophobicContact CD1-CG2 4.22Å; F343-I437 HydrophobicContact CE1-CD1 3.91Å; F343-I437 HydrophobicContact CE1-CG2 3.55Å; F343-I437 HydrophobicContact CZ-CD1 3.95Å; F343-I437 HydrophobicContact CZ-CG2 4.42Å
344E65.6Low65.8Low13 Ų1354.6 Ų54.66%0.06130%0.303CS..Hα-helixtrans-59.8-42.9170.6-176.771.6-174.200111.8S342 V346 V347 K348 P376 Q377S342-E344 PolarHBondContact O-N 2.73Å; E344-V346 VanDerWaalsContact C-N 3.33Å; E344-V347 PolarHBondContact O-N 3.31Å; E344-K348 HydrophobicContact CG-CD 4.21Å; E344-K348 WeakPolarHBondContact O-CB 3.22Å; E344-K348 WeakPolarHBondContact O-CG 3.45Å; E344-K348 PolarHBondContact O-N 2.85Å; E344-K348 WeakPolarHBondContact OE1-CE 3.38Å; E344-K348 IonicContact OE1-NZ 3.06Å; E344-K348 PolarHBondContact OE1-NZ 3.09Å; E344-P376 HydrophobicContact CB-CB 3.81Å; E344-P376 VanDerWaalsContact N-CB 3.3Å; E344-P376 PolarHBondContact N-O 2.64Å; E344-P376 VanDerWaalsContact N-O 3.11Å; E344-P376 WeakPolarHBondContact OE2-CB 3.25Å; E344-Q377 HydrophobicContact CB-CG 4.03Å; E344-Q377 HydrophobicContact CG-CG 4.19Å; E344-Q377 PolarHBondContact OE2-NE2 3.31Å; E344-Q377 VanDerWaalsContact OE2-NE2 3.12Å
345S61.8Low63.7Low45 Ų4556 Ų5632%0.31532%0.319SS..Hα-helixtrans-65.7-38.5176.4-56.90000111.1S342 F343 N349S342-S345 WeakPolarHBondContact O-CA 3.38Å; S342-S345 VanDerWaalsContact O-CB 3.26Å; S342-S345 WeakPolarHBondContact O-CB 3.36Å; S342-S345 PolarHBondContact O-N 3.19Å; S342-S345 PolarHBondContact OG-N 3.43Å; S342-S345 PolarHBondContact OG-OG 3.19Å; F343-S345 VanDerWaalsContact C-N 3.33Å; F343-S345 PolarHBondContact O-N 3.37Å; S345-N349 VanDerWaalsContact O-CB 3.29Å; S345-N349 WeakPolarHBondContact O-CB 3.41Å; S345-N349 PolarHBondContact O-N 2.89Å; S345-N349 PolarHBondContact O-ND2 2.86Å
346V59.8Low61.5Low12 Ų1257.1 Ų57.17%0.07333%0.326CS..Hα-helixtrans-63.1-55173.1178.70000109.7P341 S342 F343 E344 K348 N349 C350 W525P341-V346 HydrophobicContact CG-CG2 4.35Å; S342-V346 PolarHBondContact O-N 3.22Å; F343-V346 PolarHBondContact O-N 2.81Å; E344-V346 VanDerWaalsContact C-N 3.33Å; V346-K348 VanDerWaalsContact C-N 3.26Å; V346-K348 PolarHBondContact O-N 3.46Å; V346-N349 PolarHBondContact O-N 3.46Å; V346-C350 HydrophobicContact CG1-CB 4.19Å; V346-C350 WeakPolarHBondContact O-CB 3.2Å; V346-C350 PolarHBondContact O-N 2.87Å; V346-W525 HydrophobicContact CG1-CD2 4.49Å; V346-W525 HydrophobicContact CG1-CE3 3.53Å; V346-W525 HydrophobicContact CG1-CZ3 3.7Å; V346-W525 HydrophobicContact CG2-CE3 4.46Å
347V60.8Low59.7Low32 Ų3257.3 Ų57.319%0.19433%0.328CS..Hα-helixtrans-58-34.8-178.7172.90000113F343 E344 I437F343-V347 HydrophobicContact CD1-CG2 3.99Å; F343-V347 HydrophobicContact CE1-CG2 4.16Å; F343-V347 WeakPolarHBondContact O-CB 3.09Å; F343-V347 WeakPolarHBondContact O-CG2 3.33Å; F343-V347 PolarHBondContact O-N 2.95Å; E344-V347 PolarHBondContact O-N 3.31Å; V347-I437 HydrophobicContact CG2-CB 4.24Å; V347-I437 HydrophobicContact CG2-CG2 3.34Å
348K63.7Low58.3Low125 Ų12562.4 Ų62.454%0.54334%0.341SS..Hα-helixtrans-72.7-28.5176.2-79.1176.9173.7154.70113.7E344 V346E344-K348 HydrophobicContact CG-CD 4.21Å; E344-K348 WeakPolarHBondContact O-CB 3.22Å; E344-K348 WeakPolarHBondContact O-CG 3.45Å; E344-K348 PolarHBondContact O-N 2.85Å; E344-K348 WeakPolarHBondContact OE1-CE 3.38Å; E344-K348 IonicContact OE1-NZ 3.06Å; E344-K348 PolarHBondContact OE1-NZ 3.09Å; V346-K348 VanDerWaalsContact C-N 3.26Å; V346-K348 PolarHBondContact O-N 3.46Å
349N57.2Low57.1Low117 Ų11759.4 Ų59.463%0.62633%0.325SS*.Hα-helixtrans-102.8-23.8-172.6-66-25.4000113.2S345 V346S345-N349 VanDerWaalsContact O-CB 3.29Å; S345-N349 WeakPolarHBondContact O-CB 3.41Å; S345-N349 PolarHBondContact O-N 2.89Å; S345-N349 PolarHBondContact O-ND2 2.86Å; V346-N349 PolarHBondContact O-N 3.46Å
350C52.5Low56.6Low20 Ų2058.1 Ų58.114%0.13532%0.32CS..  trans-94.7130.3-179.6-77.30000109.8V346 K352 E524V346-C350 HydrophobicContact CG1-CB 4.19Å; V346-C350 WeakPolarHBondContact O-CB 3.2Å; V346-C350 PolarHBondContact O-N 2.87Å; C350-K352 VanDerWaalsContact C-N 3.29Å; C350-E524 VanDerWaalsContact CA-OE2 3.24Å; C350-E524 WeakPolarHBondContact CA-OE2 3.25Å; C350-E524 HydrophobicContact CB-CB 4.46Å; C350-E524 WeakPolarHBondContact CB-OE2 3.38Å; C350-E524 VanDerWaalsContact SG-CB 3.57Å; C350-E524 PolarHBondContact SG-OE2 3.29Å; C350-E524 VanDerWaalsContact SG-OE2 3.37Å
351K51.4Low57.1Low162 Ų16255.8 Ų55.870%0.70429%0.294SS*.SBendtrans-71.8-29.4179.5-77.2-176.7177.8177.20111.2E524K351-E524 PolarHBondContact N-OE2 2.64Å
352K51.5Low58.1Low135 Ų13552.7 Ų52.759%0.58727%0.272SS*.SBendtrans-159.6112.7170.6-69.2-170.3177.5-176.50109C350 D354 E524C350-K352 VanDerWaalsContact C-N 3.29Å; K352-D354 PolarHBondContact O-N 3.35Å; K352-E524 PolarHBondContact N-OE2 3.28Å; K352-E524 VanDerWaalsContact O-OE2 3.08Å
353P49.4Very low58.8Low20 Ų2052.3 Ų52.313%0.1327%0.268CS..  trans-61130174.521.3-26.5000110.9G355 I437P353-G355 PolarHBondContact O-N 3.18Å; P353-I437 VanDerWaalsContact CD-O 3.28Å; P353-I437 WeakPolarHBondContact CD-O 3.46Å; P353-I437 HydrophobicContact CG-CB 3.7Å; P353-I437 HydrophobicContact CG-CD1 4.11Å; P353-I437 HydrophobicContact CG-CG1 4.16Å
354D44.9Very low59.5Low86 Ų8651.4 Ų51.446%0.4626%0.264SS..SBendtrans-69.718.8-175.9-75.6-40.7000114.8K352 E524K352-D354 PolarHBondContact O-N 3.35Å; D354-E524 WeakPolarHBondContact OD2-CG 3.45Å
355G46.8Very low60.4Low35 Ų3551 Ų5136%0.36126%0.262SS..SBendtrans179.215417400000114.5P353P353-G355 PolarHBondContact O-N 3.18Å
356P46.4Very low61.5Low23 Ų2354.5 Ų54.515%0.14927%0.272CS..PPolyproline II helixtrans-64.5138.1174.928.8-35.9000110.6R358 L434 L507P356-R358 PolarHBondContact O-N 3.42Å; P356-R358 VanDerWaalsContact O-N 3.11Å; P356-L434 HydrophobicContact CB-CD1 3.39Å; P356-L507 HydrophobicContact CB-CD2 3.64Å; P356-L507 HydrophobicContact CG-CB 4.1Å; P356-L507 HydrophobicContact CG-CD1 4.41Å; P356-L507 HydrophobicContact CG-CD2 3.6Å; P356-L507 HydrophobicContact CG-CG 4.21Å
357P52.6Low62.4Low10 Ų1054.3 Ų54.37%0.06527%0.27CS..PPolyproline II helixtrans-63.1119.117425.3-32.7000108.6F343 L359 Y379 W430 I437F343-P357 HydrophobicContact CE1-CB 4.14Å; F343-P357 HydrophobicContact CE1-CG 3.87Å; F343-P357 HydrophobicContact CE2-CB 4.1Å; F343-P357 HydrophobicContact CZ-CB 3.71Å; F343-P357 HydrophobicContact CZ-CG 3.79Å; P357-L359 PolarHBondContact O-N 3.48Å; P357-Y379 HydrophobicContact CB-CE1 3.87Å; P357-Y379 HydrophobicContact CB-CE2 4.43Å; P357-W430 PolarHBondContact O-NE1 2.85Å; P357-I437 HydrophobicContact CG-CD1 4.07Å
358R56.3Low63.5Low149 Ų14956.9 Ų56.956%0.56228%0.276SS*.PPolyproline II helixtrans-59.5131.3179.8-167.6174.2-177.1168.54.5108.9P356 A360 Y379P356-R358 PolarHBondContact O-N 3.42Å; P356-R358 VanDerWaalsContact O-N 3.11Å; R358-A360 PolarHBondContact O-N 3.33Å; R358-Y379 PolarHBondContact O-OH 3.47Å
359L56.1Low64.3Low1 Ų151.7 Ų51.71%0.00525%0.253CS..  trans-57.9100.5-176.3-76.2136.6000111.5P357 L361 M427 W430 I503 Y504 L507P357-L359 PolarHBondContact O-N 3.48Å; L359-L361 HydrophobicContact CD2-CB 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.94Å; L359-L361 HydrophobicContact CD2-CG 4.41Å; L359-L361 PolarHBondContact O-N 3.44Å; L359-M427 HydrophobicContact CD2-CE 3.79Å; L359-M427 HydrophobicContact CD2-SD 4Å; L359-W430 HydrophobicContact CD1-CH2 4.27Å; L359-W430 HydrophobicContact CD1-CZ2 3.93Å; L359-W430 HydrophobicContact CD2-CD2 3.66Å; L359-W430 HydrophobicContact CD2-CE3 4.22Å; L359-W430 HydrophobicContact CD2-CG 3.76Å; L359-W430 HydrophobicContact CD2-CZ2 4.38Å; L359-W430 HydrophobicContact CG-CD2 4.14Å; L359-W430 HydrophobicContact CG-CG 4.44Å; L359-W430 HydrophobicContact CG-CZ2 4Å; L359-I503 HydrophobicContact CD1-CB 4.33Å; L359-I503 HydrophobicContact CD1-CG2 3.71Å; L359-Y504 HydrophobicContact CB-CE1 3.9Å; L359-Y504 HydrophobicContact CD1-CD1 4.29Å; L359-Y504 HydrophobicContact CD1-CE1 3.78Å; L359-Y504 HydrophobicContact CG-CE1 4.44Å; L359-Y504 PolarHBondContact O-OH 2.84Å; L359-L507 HydrophobicContact CD1-CD1 4.45Å
360A61.9Low65.3Low29 Ų2946.3 Ų46.324%0.2422%0.224CC..THydrogen-bonded Turntrans-68.8-11.1162.300000112.2N318 R358 E362N318-A360 HydrophobicContact CB-CB 3.84Å; R358-A360 PolarHBondContact O-N 3.33Å; A360-E362 PolarHBondContact O-N 2.83Å
361L74.1Confident66.6Low9 Ų946.3 Ų46.35%0.04722%0.222CC..Hα-helixtrans-69.3-30.6-176.8-67.3175.4000114.5L359 D363 L364 H365 H371 I374 D426 M427 W430L359-L361 HydrophobicContact CD2-CB 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.94Å; L359-L361 HydrophobicContact CD2-CG 4.41Å; L359-L361 PolarHBondContact O-N 3.44Å; L361-D363 VanDerWaalsContact C-N 3.33Å; L361-D363 PolarHBondContact O-N 3.48Å; L361-L364 PolarHBondContact O-N 2.84Å; L361-H365 WeakPolarHBondContact O-CB 3.41Å; L361-H365 PolarHBondContact O-CD2 3.11Å; L361-H365 PolarHBondContact O-N 3.3Å; L361-H371 HydrophobicContact CD2-CB 4.37Å; L361-I374 HydrophobicContact CD1-CD1 3.61Å; L361-I374 HydrophobicContact CD2-CD1 3.29Å; L361-I374 HydrophobicContact CD2-CG1 4.26Å; L361-I374 HydrophobicContact CG-CD1 3.96Å; L361-D426 HydrophobicContact CD1-CB 4.04Å; L361-D426 HydrophobicContact CD2-CB 4.12Å; L361-M427 HydrophobicContact CD1-SD 4.12Å; L361-W430 HydrophobicContact CD1-CB 3.82Å; L361-W430 HydrophobicContact CD1-CG 4.41Å
362E80Confident67.8Low25 Ų2541.4 Ų41.412%0.11720%0.199CC..Hα-helixtrans-60.1-46.8-178.6-174.5-170.2-16700110.8A360 L364 H365 K366 Y500 Y504A360-E362 PolarHBondContact O-N 2.83Å; E362-L364 PolarHBondContact O-N 3.12Å; E362-H365 PolarHBondContact O-N 3.33Å; E362-K366 VanDerWaalsContact CD-CE 3.47Å; E362-K366 HydrophobicContact CG-CD 4.1Å; E362-K366 HydrophobicContact CG-CG 4.47Å; E362-K366 WeakPolarHBondContact O-CB 3.42Å; E362-K366 VanDerWaalsContact O-CG 3.24Å; E362-K366 WeakPolarHBondContact O-CG 3.37Å; E362-K366 PolarHBondContact O-N 3.29Å; E362-K366 WeakPolarHBondContact OE1-CE 3.24Å; E362-K366 IonicContact OE1-NZ 3.83Å; E362-K366 PolarHBondContact OE1-NZ 3.31Å; E362-K366 IonicContact OE2-NZ 3.57Å; E362-K366 PolarHBondContact OE2-NZ 3.28Å; E362-Y500 HydrophobicContact CB-CD1 3.96Å; E362-Y500 HydrophobicContact CB-CD2 4.24Å; E362-Y500 HydrophobicContact CB-CE1 4.2Å; E362-Y500 HydrophobicContact CB-CE2 4.46Å; E362-Y500 HydrophobicContact CB-CG 3.98Å; E362-Y500 HydrophobicContact CG-CD1 4.3Å; E362-Y500 HydrophobicContact CG-CD2 3.67Å; E362-Y500 HydrophobicContact CG-CE2 4.01Å; E362-Y500 HydrophobicContact CG-CG 3.83Å; E362-Y504 WeakPolarHBondContact CB-OH 3.37Å; E362-Y504 PolarHBondContact OE2-OH 3.45Å
363D77.6Confident69Low24 Ų2436.1 Ų36.113%0.12818%0.178CC..Hα-helixtrans-65.5-39-179.4-68.6-19.9000111.4L311 A316 R317 L361 K366 I367L311-D363 HydrophobicContact CD2-CB 4.3Å; A316-D363 WeakPolarHBondContact CA-OD2 3.24Å; A316-D363 HydrophobicContact CB-CB 3.63Å; R317-D363 PolarHBondContact N-OD2 3.09Å; L361-D363 VanDerWaalsContact C-N 3.33Å; L361-D363 PolarHBondContact O-N 3.48Å; D363-K366 PolarHBondContact O-N 2.68Å; D363-I367 PolarHBondContact O-N 3.1Å
364L80.1Confident70.2Confident8 Ų835.6 Ų35.64%0.04217%0.174CC..Hα-helixtrans-64.6-45174.5-171.171.6000112.2V307 L311 L361 E362 K366 I367 R368 Y369 H371 I383V307-L364 HydrophobicContact CG1-CD1 3.68Å; L311-L364 HydrophobicContact CD1-CD1 4.19Å; L311-L364 HydrophobicContact CD2-CD1 4.44Å; L361-L364 PolarHBondContact O-N 2.84Å; E362-L364 PolarHBondContact O-N 3.12Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.25Å; L364-I367 HydrophobicContact CD1-CD1 4.41Å; L364-I367 WeakPolarHBondContact O-CG1 3.36Å; L364-I367 PolarHBondContact O-N 3.06Å; L364-R368 PolarHBondContact O-N 3.09Å; L364-Y369 CarbonylContact C-O 3.31Å; L364-Y369 PolarHBondContact O-N 3.45Å; L364-Y369 VanDerWaalsContact O-N 3.09Å; L364-H371 HydrophobicContact CD2-CB 3.67Å; L364-I383 HydrophobicContact CD1-CG2 4.35Å
365H84.1Confident71.4Confident3 Ų333.4 Ų33.41%0.01416%0.16CC..Hα-helixtrans-68.7-33.7179.5-68.1179.3000111.3L361 E362 I367 R368 Y369 Y388 R423 D426 Y500L361-H365 WeakPolarHBondContact O-CB 3.41Å; L361-H365 PolarHBondContact O-CD2 3.11Å; L361-H365 PolarHBondContact O-N 3.3Å; E362-H365 PolarHBondContact O-N 3.33Å; H365-I367 VanDerWaalsContact C-N 3.34Å; H365-R368 PolarHBondContact O-N 3.09Å; H365-R368 VanDerWaalsContact O-N 3.1Å; H365-Y369 WeakPolarHBondContact CA-O 3.33Å; H365-Y369 PolarHBondContact CD2-O 3.4Å; H365-Y388 WeakPolarHBondContact O-CE1 3.3Å; H365-Y388 PolarHBondContact O-OH 2.97Å; H365-R423 HydrophobicContact CB-CG 4.24Å; H365-D426 IonicContact CD2-OD2 2.78Å; H365-D426 IonicContact CE1-OD2 3.61Å; H365-D426 IonicContact NE2-OD2 2.62Å; H365-D426 PolarHBondContact NE2-OD2 3.05Å; H365-Y500 VanDerWaalsContact CB-OH 3.25Å; H365-Y500 WeakPolarHBondContact CB-OH 3.43Å; H365-Y500 VanDerWaalsContact CG-OH 3.29Å; H365-Y500 AromaticContact ND1-CZ 3.71Å; H365-Y500 PolarHBondContact ND1-OH 2.79Å
366K83.6Confident72.4Confident120 Ų12031.8 Ų31.852%0.52214%0.143SC..Hα-helixtrans-61.3-39.3173.4-81.6171180162.30112.3E362 D363 L364 R368E362-K366 VanDerWaalsContact CD-CE 3.47Å; E362-K366 HydrophobicContact CG-CD 4.1Å; E362-K366 HydrophobicContact CG-CG 4.47Å; E362-K366 WeakPolarHBondContact O-CB 3.42Å; E362-K366 VanDerWaalsContact O-CG 3.24Å; E362-K366 WeakPolarHBondContact O-CG 3.37Å; E362-K366 PolarHBondContact O-N 3.29Å; E362-K366 WeakPolarHBondContact OE1-CE 3.24Å; E362-K366 IonicContact OE1-NZ 3.83Å; E362-K366 PolarHBondContact OE1-NZ 3.31Å; E362-K366 IonicContact OE2-NZ 3.57Å; E362-K366 PolarHBondContact OE2-NZ 3.28Å; D363-K366 PolarHBondContact O-N 2.68Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.25Å; K366-R368 PolarHBondContact O-N 2.93Å
367I80.2Confident73.2Confident7 Ų734.3 Ų34.34%0.03615%0.153CC..THydrogen-bonded Turntrans-84.218.1174.567.3152.3000113.6V307 E310 L311 N314 D363 L364 H365 Y369V307-I367 HydrophobicContact CG1-CD1 4.17Å; E310-I367 HydrophobicContact CB-CD1 4.06Å; E310-I367 HydrophobicContact CG-CB 4.08Å; E310-I367 HydrophobicContact CG-CD1 4.08Å; E310-I367 HydrophobicContact CG-CG2 4.19Å; L311-I367 HydrophobicContact CB-CD1 4.44Å; L311-I367 HydrophobicContact CD2-CD1 3.5Å; L311-I367 HydrophobicContact CD2-CG1 3.83Å; L311-I367 HydrophobicContact CG-CD1 3.51Å; L311-I367 HydrophobicContact CG-CG1 4.38Å; N314-I367 HydrophobicContact CB-CG2 4.02Å; D363-I367 PolarHBondContact O-N 3.1Å; L364-I367 HydrophobicContact CD1-CD1 4.41Å; L364-I367 WeakPolarHBondContact O-CG1 3.36Å; L364-I367 PolarHBondContact O-N 3.06Å; H365-I367 VanDerWaalsContact C-N 3.34Å; I367-Y369 HydrophobicContact CD1-CD2 3.69Å; I367-Y369 HydrophobicContact CD1-CE2 4.23Å; I367-Y369 HydrophobicContact CG1-CD2 3.9Å; I367-Y369 WeakPolarHBondContact O-CD2 3.18Å; I367-Y369 WeakPolarHBondContact O-CE2 3.13Å; I367-Y369 PolarHBondContact O-N 3.06Å
368R82.3Confident74Confident86 Ų8635.4 Ų35.433%0.32516%0.158SC..THydrogen-bonded Turntrans71.619.4172.5-48.6175.3-168.8-173.86.6115.7L364 H365 K366 R387 Y388 I389 N390 D391L364-R368 PolarHBondContact O-N 3.09Å; H365-R368 PolarHBondContact O-N 3.09Å; H365-R368 VanDerWaalsContact O-N 3.1Å; K366-R368 PolarHBondContact O-N 2.93Å; R368-R387 HydrophobicContact CB-CG 4.06Å; R368-R387 CarbonylContact O-C 3.4Å; R368-R387 VanDerWaalsContact O-CA 3.25Å; R368-R387 WeakPolarHBondContact O-CA 3.46Å; R368-R387 VanDerWaalsContact O-CG 3.25Å; R368-R387 WeakPolarHBondContact O-CG 2.95Å; R368-Y388 HydrophobicContact CB-CE1 4.41Å; R368-Y388 WeakPolarHBondContact O-CD1 3.35Å; R368-Y388 WeakPolarHBondContact O-CE1 3.49Å; R368-Y388 PolarHBondContact O-N 3.27Å; R368-I389 HydrophobicContact CB-CB 4.05Å; R368-I389 HydrophobicContact CG-CB 4.1Å; R368-I389 HydrophobicContact CG-CD1 4.47Å; R368-N390 PolarHBondContact NH1-O 2.98Å; R368-D391 PolarHBondContact NH1-O 3.39Å
369Y81.6Confident74.2Confident17 Ų1731.1 Ų31.17%0.06714%0.143CC..EExtended strand (participates in β ladder)trans-107.8151.9175.7-72.6-86.3000112.5V307 E310 L364 H365 I367 E386 R387V307-Y369 HydrophobicContact CG1-CD2 4.28Å; V307-Y369 HydrophobicContact CG1-CG 4.23Å; V307-Y369 HydrophobicContact CG2-CD1 3.74Å; V307-Y369 HydrophobicContact CG2-CD2 4.32Å; V307-Y369 HydrophobicContact CG2-CE1 3.52Å; V307-Y369 HydrophobicContact CG2-CE2 4.13Å; V307-Y369 HydrophobicContact CG2-CG 4.14Å; E310-Y369 WeakPolarHBondContact OE2-CE2 3.46Å; L364-Y369 CarbonylContact C-O 3.31Å; L364-Y369 PolarHBondContact O-N 3.45Å; L364-Y369 VanDerWaalsContact O-N 3.09Å; H365-Y369 WeakPolarHBondContact CA-O 3.33Å; H365-Y369 PolarHBondContact CD2-O 3.4Å; I367-Y369 HydrophobicContact CD1-CD2 3.69Å; I367-Y369 HydrophobicContact CD1-CE2 4.23Å; I367-Y369 HydrophobicContact CG1-CD2 3.9Å; I367-Y369 WeakPolarHBondContact O-CD2 3.18Å; I367-Y369 WeakPolarHBondContact O-CE2 3.13Å; I367-Y369 PolarHBondContact O-N 3.06Å; Y369-E386 CarbonylContact C-O 3.47Å; Y369-E386 WeakPolarHBondContact CA-O 3.48Å; Y369-R387 HydrophobicContact CD1-CB 4.1Å; Y369-R387 HydrophobicContact CD1-CG 4.19Å; Y369-R387 HydrophobicContact CD2-CG 4.39Å; Y369-R387 HydrophobicContact CE1-CB 3.76Å; Y369-R387 HydrophobicContact CE1-CG 3.84Å; Y369-R387 HydrophobicContact CE2-CG 4.07Å; Y369-R387 HydrophobicContact CG-CG 4.46Å
370I78.7Confident73.8Confident3 Ų332.5 Ų32.52%0.01515%0.154CC..EExtended strand (participates in β ladder)trans-113.9149.3163.956171000108.9R372 S385 E386 Y388 Q421 R423 D426I370-R372 HydrophobicContact CB-CG 4.46Å; I370-R372 HydrophobicContact CD1-CG 3.71Å; I370-R372 HydrophobicContact CG1-CG 3.81Å; I370-S385 CarbonylContact O-C 3.34Å; I370-S385 WeakPolarHBondContact O-CA 3.44Å; I370-S385 WeakPolarHBondContact O-CB 3.37Å; I370-E386 HydrophobicContact CG1-CB 4.17Å; I370-E386 WeakPolarHBondContact CG1-O 3.35Å; I370-E386 PolarHBondContact N-O 3.02Å; I370-E386 PolarHBondContact O-N 3.43Å; I370-Y388 HydrophobicContact CG2-CD1 3.72Å; I370-Y388 HydrophobicContact CG2-CE1 4.48Å; I370-Y388 HydrophobicContact CG2-CG 4.08Å; I370-Q421 HydrophobicContact CD1-CB 4.19Å; I370-Q421 WeakPolarHBondContact CD1-O 3.34Å; I370-R423 HydrophobicContact CG2-CG 3.84Å; I370-D426 VanDerWaalsContact CA-OD2 3.25Å; I370-D426 WeakPolarHBondContact CA-OD2 3.28Å; I370-D426 WeakPolarHBondContact CB-OD2 3.45Å
371H79.5Confident73.1Confident20 Ų2033.4 Ų33.49%0.09316%0.156CC..  trans-88.8-40.7-174.9-167.7-43.7000113.5L361 L364 D373 I374 G382 A384 D426L361-H371 HydrophobicContact CD2-CB 4.37Å; L364-H371 HydrophobicContact CD2-CB 3.67Å; H371-D373 PolarHBondContact CE1-O 3.04Å; H371-D373 PolarHBondContact ND1-N 2.86Å; H371-D373 PolarHBondContact O-N 2.9Å; H371-I374 HydrophobicContact CB-CD1 4.23Å; H371-I374 HydrophobicContact CB-CG1 3.73Å; H371-G382 PolarHBondContact CE1-O 3.4Å; H371-G382 PolarHBondContact NE2-O 3.48Å; H371-G382 VanDerWaalsContact NE2-O 3.09Å; H371-A384 CarbonylContact C-O 3.46Å; H371-A384 VanDerWaalsContact C-O 3.26Å; H371-A384 WeakPolarHBondContact CA-O 3.48Å; H371-A384 PolarHBondContact ND1-O 2.81Å; H371-A384 CarbonylContact O-C 3.51Å; H371-A384 VanDerWaalsContact O-C 3.31Å; H371-D426 PolarHBondContact N-OD1 3.11Å; H371-D426 PolarHBondContact N-OD2 3.22Å
372R76.5Confident72Confident59 Ų5933.4 Ų33.422%0.22316%0.159CC..SBendtrans61.6-5.9175.8-42.5-171.9-40.8170.912118.4I370 E386 Q421 D426I370-R372 HydrophobicContact CB-CG 4.46Å; I370-R372 HydrophobicContact CD1-CG 3.71Å; I370-R372 HydrophobicContact CG1-CG 3.81Å; R372-E386 IonicContact CZ-OE2 3.3Å; R372-E386 IonicContact NE-OE2 3.22Å; R372-E386 IonicContact NH1-OE2 3.3Å; R372-E386 PolarHBondContact NH1-OE2 2.89Å; R372-Q421 HydrophobicContact CG-CB 4.27Å; R372-D426 PolarHBondContact N-OD1 2.85Å
373D76.6Confident70.8Confident25 Ų2533.9 Ų33.913%0.13416%0.161CC..  trans-145.546.4177.2-169.739.1000111H371 K375 N378 A384 G406 T407H371-D373 PolarHBondContact CE1-O 3.04Å; H371-D373 PolarHBondContact ND1-N 2.86Å; H371-D373 PolarHBondContact O-N 2.9Å; D373-K375 PolarHBondContact O-N 3.17Å; D373-K375 IonicContact OD1-NZ 3.83Å; D373-K375 PolarHBondContact OD1-NZ 3.08Å; D373-K375 WeakPolarHBondContact OD2-CE 3.25Å; D373-K375 IonicContact OD2-NZ 2.71Å; D373-K375 PolarHBondContact OD2-NZ 3.27Å; D373-N378 PolarHBondContact O-ND2 2.74Å; D373-N378 PolarHBondContact OD2-ND2 3.4Å; D373-A384 HydrophobicContact CB-CB 4.12Å; D373-G406 WeakPolarHBondContact OD1-CA 3.19Å; D373-T407 PolarHBondContact OD1-N 3.06Å; D373-T407 PolarHBondContact OD1-OG1 3.41Å
374I73.6Confident69.8Low8 Ų834.5 Ų34.54%0.04117%0.17CC..  trans-69.1118.7175.7-51-179.6000108.6L361 H371 Y379 Y410 D426 A429 I433L361-I374 HydrophobicContact CD1-CD1 3.61Å; L361-I374 HydrophobicContact CD2-CD1 3.29Å; L361-I374 HydrophobicContact CD2-CG1 4.26Å; L361-I374 HydrophobicContact CG-CD1 3.96Å; H371-I374 HydrophobicContact CB-CD1 4.23Å; H371-I374 HydrophobicContact CB-CG1 3.73Å; I374-Y379 HydrophobicContact CG2-CD2 4.46Å; I374-Y379 HydrophobicContact CG2-CE2 4.39Å; I374-Y410 WeakPolarHBondContact O-CB 3.41Å; I374-D426 HydrophobicContact CD1-CB 3.64Å; I374-D426 WeakPolarHBondContact CD1-O 3.31Å; I374-A429 HydrophobicContact CB-CB 3.85Å; I374-A429 HydrophobicContact CD1-CB 4.33Å; I374-A429 HydrophobicContact CG1-CB 4.43Å; I374-I433 HydrophobicContact CB-CD1 4.46Å; I374-I433 HydrophobicContact CG2-CD1 3.57Å
375K71.8Confident68.9Low40 Ų4034.9 Ų34.917%0.17417%0.173CC..  trans-154.2158.3177.164.6-164-173.1-154.10110.2D373 Q377 N378 Y379 T407 Y410D373-K375 PolarHBondContact O-N 3.17Å; D373-K375 IonicContact OD1-NZ 3.83Å; D373-K375 PolarHBondContact OD1-NZ 3.08Å; D373-K375 WeakPolarHBondContact OD2-CE 3.25Å; D373-K375 IonicContact OD2-NZ 2.71Å; D373-K375 PolarHBondContact OD2-NZ 3.27Å; K375-Q377 HydrophobicContact CG-CB 4.25Å; K375-Q377 VanDerWaalsContact CG-OE1 3.31Å; K375-Q377 PolarHBondContact O-N 3.27Å; K375-N378 VanDerWaalsContact CE-ND2 3.33Å; K375-N378 WeakPolarHBondContact CE-ND2 3.22Å; K375-N378 HydrophobicContact CG-CB 3.91Å; K375-N378 PolarHBondContact O-N 2.77Å; K375-Y379 PolarHBondContact O-N 2.81Å; K375-T407 HydrophobicContact CD-CG2 4.43Å; K375-T407 WeakPolarHBondContact CD-OG1 3.01Å; K375-T407 PolarHBondContact NZ-OG1 3.15Å; K375-T407 VanDerWaalsContact NZ-OG1 3.17Å; K375-Y410 HydrophobicContact CB-CD2 3.64Å; K375-Y410 HydrophobicContact CB-CE2 3.8Å
376P66Low67.8Low1 Ų137.8 Ų37.81%0.00619%0.187CC..THydrogen-bonded Turntrans-58.7-24.4-176.8-26.236.1000114.6F343 E344 Y410 I433F343-P376 HydrophobicContact CB-CB 4.1Å; F343-P376 WeakPolarHBondContact CB-O 3.1Å; F343-P376 HydrophobicContact CD1-CB 4.36Å; F343-P376 PolarHBondContact N-O 3.38Å; F343-P376 VanDerWaalsContact N-O 3.11Å; E344-P376 HydrophobicContact CB-CB 3.81Å; E344-P376 VanDerWaalsContact N-CB 3.3Å; E344-P376 PolarHBondContact N-O 2.64Å; E344-P376 VanDerWaalsContact N-O 3.11Å; E344-P376 WeakPolarHBondContact OE2-CB 3.25Å; P376-Y410 VanDerWaalsContact CD-OH 3.27Å; P376-Y410 WeakPolarHBondContact CD-OH 3.13Å; P376-Y410 HydrophobicContact CG-CE2 4.31Å; P376-Y410 VanDerWaalsContact CG-OH 3.3Å; P376-Y410 WeakPolarHBondContact CG-OH 3.34Å; P376-I433 HydrophobicContact CG-CG1 4.36Å; P376-I433 HydrophobicContact CG-CG2 4.34Å
377Q65.1Low67.3Low77 Ų7735 Ų3536%0.3617%0.173SC..THydrogen-bonded Turntrans-71.3-34.5174-60.179.64.300113.1E344 K375E344-Q377 HydrophobicContact CB-CG 4.03Å; E344-Q377 HydrophobicContact CG-CG 4.19Å; E344-Q377 PolarHBondContact OE2-NE2 3.31Å; E344-Q377 VanDerWaalsContact OE2-NE2 3.12Å; K375-Q377 HydrophobicContact CG-CB 4.25Å; K375-Q377 VanDerWaalsContact CG-OE1 3.31Å; K375-Q377 PolarHBondContact O-N 3.27Å
378N69Low67.1Low32 Ų3235.4 Ų35.417%0.17117%0.174CC..THydrogen-bonded Turntrans-93-10.9-173.4-77.2-3.7000113.7D373 K375 A380 V381 G382D373-N378 PolarHBondContact O-ND2 2.74Å; D373-N378 PolarHBondContact OD2-ND2 3.4Å; K375-N378 VanDerWaalsContact CE-ND2 3.33Å; K375-N378 WeakPolarHBondContact CE-ND2 3.22Å; K375-N378 HydrophobicContact CG-CB 3.91Å; K375-N378 PolarHBondContact O-N 2.77Å; N378-A380 PolarHBondContact O-N 3.25Å; N378-V381 PolarHBondContact O-N 3.25Å; N378-G382 WeakPolarHBondContact CB-O 3.1Å; N378-G382 PolarHBondContact O-N 3.34Å
379Y60.3Low66.1Low60 Ų6032.7 Ų32.724%0.23517%0.166CC..THydrogen-bonded Turntrans-56.1-19.2-174.3-140.5-90.8000114P357 R358 I374 K375P357-Y379 HydrophobicContact CB-CE1 3.87Å; P357-Y379 HydrophobicContact CB-CE2 4.43Å; R358-Y379 PolarHBondContact O-OH 3.47Å; I374-Y379 HydrophobicContact CG2-CD2 4.46Å; I374-Y379 HydrophobicContact CG2-CE2 4.39Å; K375-Y379 PolarHBondContact O-N 2.81Å
380A47.1Very low65.2Low29 Ų2934.3 Ų34.324%0.2418%0.176CC..THydrogen-bonded Turntrans-114.6-23.7-179.500000115C320 V339 N378C320-A380 PolarHBondContact SG-O 2.87Å; V339-A380 HydrophobicContact CB-CB 4.45Å; V339-A380 HydrophobicContact CG2-CB 3.78Å; N378-A380 PolarHBondContact O-N 3.25Å
381V47.6Very low64.5Low49 Ų4940.4 Ų40.430%0.29721%0.208SC..THydrogen-bonded Turntrans-149.49.4-164.5-147.10000115.5M336 V339 N378M336-V381 HydrophobicContact CE-CG1 3.42Å; M336-V381 VanDerWaalsContact CE-CG1 3.42Å; M336-V381 HydrophobicContact SD-CG1 3.79Å; V339-V381 HydrophobicContact CG2-CG2 3.81Å; N378-V381 PolarHBondContact O-N 3.25Å
382G51.5Low63.2Low9 Ų944 Ų449%0.09324%0.236CC..  trans-137.694.4-173.600000113.6H371 N378H371-G382 PolarHBondContact CE1-O 3.4Å; H371-G382 PolarHBondContact NE2-O 3.48Å; H371-G382 VanDerWaalsContact NE2-O 3.09Å; N378-G382 WeakPolarHBondContact CB-O 3.1Å; N378-G382 PolarHBondContact O-N 3.34Å
383I54.8Low62.4Low34 Ų3443.5 Ų43.517%0.17425%0.248CC..  trans-100.383.7176.1-48.3176.7000109.2E304 V307 L308 L311 L364 S385E304-I383 WeakPolarHBondContact CG-O 3.33Å; V307-I383 HydrophobicContact CG1-CD1 4.45Å; V307-I383 HydrophobicContact CG1-CG2 4.07Å; L308-I383 HydrophobicContact CD1-CD1 4.36Å; L311-I383 HydrophobicContact CD1-CD1 3.94Å; L364-I383 HydrophobicContact CD1-CG2 4.35Å; I383-S385 WeakPolarHBondContact CG2-OG 3.42Å; I383-S385 PolarHBondContact O-N 3.49Å
384A55.2Low61.8Low37 Ų3744.5 Ų44.531%0.30626%0.26SS..  trans-60.4127150.500000105.5H371 D373H371-A384 CarbonylContact C-O 3.46Å; H371-A384 VanDerWaalsContact C-O 3.26Å; H371-A384 WeakPolarHBondContact CA-O 3.48Å; H371-A384 PolarHBondContact ND1-O 2.81Å; H371-A384 CarbonylContact O-C 3.51Å; H371-A384 VanDerWaalsContact O-C 3.31Å; D373-A384 HydrophobicContact CB-CB 4.12Å
385S61.8Low62.1Low16 Ų1646 Ų4611%0.11227%0.267CS..  trans-150.8147.3177.348.50000113.1V307 I370 I383V307-S385 WeakPolarHBondContact CG2-OG 3.13Å; I370-S385 CarbonylContact O-C 3.34Å; I370-S385 WeakPolarHBondContact O-CA 3.44Å; I370-S385 WeakPolarHBondContact O-CB 3.37Å; I383-S385 WeakPolarHBondContact CG2-OG 3.42Å; I383-S385 PolarHBondContact O-N 3.49Å
386E61.8Low62.3Low64 Ų6448.1 Ų48.130%0.29928%0.277SS..EExtended strand (participates in β ladder)trans-131.1138.2175.9-168.9167.1-154.500108.5Y369 I370 R372 Y388 R399Y369-E386 CarbonylContact C-O 3.47Å; Y369-E386 WeakPolarHBondContact CA-O 3.48Å; I370-E386 HydrophobicContact CG1-CB 4.17Å; I370-E386 WeakPolarHBondContact CG1-O 3.35Å; I370-E386 PolarHBondContact N-O 3.02Å; I370-E386 PolarHBondContact O-N 3.43Å; R372-E386 IonicContact CZ-OE2 3.3Å; R372-E386 IonicContact NE-OE2 3.22Å; R372-E386 IonicContact NH1-OE2 3.3Å; R372-E386 PolarHBondContact NH1-OE2 2.89Å; E386-Y388 PolarHBondContact O-N 3.29Å; E386-R399 IonicContact OE1-NH2 2.65Å; E386-R399 IonicContact OE2-NH2 2.79Å
387R73.3Confident63Low63 Ų6358.7 Ų58.724%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-74.8125.1176.4-140.6179.3-159.9-1662.9107.7E310 R368 Y369 I389 D391 H396E310-R387 IonicContact OE1-NH2 3.95Å; E310-R387 IonicContact OE2-NH2 3.95Å; R368-R387 HydrophobicContact CB-CG 4.06Å; R368-R387 CarbonylContact O-C 3.4Å; R368-R387 VanDerWaalsContact O-CA 3.25Å; R368-R387 WeakPolarHBondContact O-CA 3.46Å; R368-R387 VanDerWaalsContact O-CG 3.25Å; R368-R387 WeakPolarHBondContact O-CG 2.95Å; Y369-R387 HydrophobicContact CD1-CB 4.1Å; Y369-R387 HydrophobicContact CD1-CG 4.19Å; Y369-R387 HydrophobicContact CD2-CG 4.39Å; Y369-R387 HydrophobicContact CE1-CB 3.76Å; Y369-R387 HydrophobicContact CE1-CG 3.84Å; Y369-R387 HydrophobicContact CE2-CG 4.07Å; Y369-R387 HydrophobicContact CG-CG 4.46Å; R387-I389 WeakPolarHBondContact CD-O 3.4Å; R387-I389 WeakPolarHBondContact CG-O 3.3Å; R387-D391 IonicContact CZ-OD1 3.75Å; R387-D391 IonicContact NH1-OD1 3.39Å; R387-D391 PolarHBondContact NH1-OD1 3.11Å; R387-H396 PolarHBondContact O-CD2 2.68Å
388Y74.9Confident63.8Low15 Ų1557.7 Ų57.76%0.05932%0.318CS..SBendtrans-96.7-15.5-179.372.3-86.9000112.5H365 R368 I370 E386 H395 H396 R423H365-Y388 WeakPolarHBondContact O-CE1 3.3Å; H365-Y388 PolarHBondContact O-OH 2.97Å; R368-Y388 HydrophobicContact CB-CE1 4.41Å; R368-Y388 WeakPolarHBondContact O-CD1 3.35Å; R368-Y388 WeakPolarHBondContact O-CE1 3.49Å; R368-Y388 PolarHBondContact O-N 3.27Å; I370-Y388 HydrophobicContact CG2-CD1 3.72Å; I370-Y388 HydrophobicContact CG2-CE1 4.48Å; I370-Y388 HydrophobicContact CG2-CG 4.08Å; E386-Y388 PolarHBondContact O-N 3.29Å; Y388-H395 AromaticContact CD2-CD2 3.78Å; Y388-H395 AromaticContact CD2-NE2 3.49Å; Y388-H395 WeakPolarHBondContact CD2-NE2 3.4Å; Y388-H395 WeakPolarHBondContact O-CA 3.26Å; Y388-H396 PolarHBondContact O-CD2 3.19Å; Y388-H396 PolarHBondContact O-N 2.9Å; Y388-R423 HydrophobicContact CD1-CG 4.41Å; Y388-R423 HydrophobicContact CE1-CG 4.1Å; Y388-R423 HydrophobicContact CE2-CG 4.31Å; Y388-R423 VanDerWaalsContact CE2-NH1 3.32Å; Y388-R423 VanDerWaalsContact CZ-CD 3.47Å; Y388-R423 PolarHBondContact OH-NH1 2.98Å
389I62.2Low64.3Low29 Ų2962 Ų6215%0.14933%0.331CS..BIsolated β-bridgetrans-121133.7172.3-61.3174.1000108.6R368 R387 G393 A394R368-I389 HydrophobicContact CB-CB 4.05Å; R368-I389 HydrophobicContact CG-CB 4.1Å; R368-I389 HydrophobicContact CG-CD1 4.47Å; R387-I389 WeakPolarHBondContact CD-O 3.4Å; R387-I389 WeakPolarHBondContact CG-O 3.3Å; I389-G393 WeakPolarHBondContact CG2-O 3.43Å; I389-A394 WeakPolarHBondContact CA-O 3.37Å
390N61.5Low65.2Low51 Ų5164.6 Ų64.627%0.27337%0.365SS..  trans-75.4-178.7176.471.42.6000112.4R368 S392 G393 A394R368-N390 PolarHBondContact NH1-O 2.98Å; N390-S392 VanDerWaalsContact CG-OG 3.32Å; N390-S392 PolarHBondContact ND2-OG 3.38Å; N390-S392 PolarHBondContact O-N 3.31Å; N390-S392 WeakPolarHBondContact OD1-CA 3.36Å; N390-S392 PolarHBondContact OD1-N 2.9Å; N390-S392 VanDerWaalsContact OD1-N 3.08Å; N390-S392 PolarHBondContact OD1-OG 3.09Å; N390-G393 PolarHBondContact O-N 3.24Å; N390-G393 VanDerWaalsContact O-N 3.15Å; N390-G393 PolarHBondContact OD1-N 2.84Å; N390-G393 VanDerWaalsContact OD1-N 3.11Å; N390-A394 PolarHBondContact N-O 3.46Å; N390-A394 PolarHBondContact OD1-N 3.32Å; N390-A394 PolarHBondContact OD1-O 2.88Å
391D65.2Low66.9Low131 Ų13171.6 Ų71.670%0.70139%0.39SS*.THydrogen-bonded Turntrans-62-30.9178.4-65.1-49.3000112.9R368 R387 G393R368-D391 PolarHBondContact NH1-O 3.39Å; R387-D391 IonicContact CZ-OD1 3.75Å; R387-D391 IonicContact NH1-OD1 3.39Å; R387-D391 PolarHBondContact NH1-OD1 3.11Å; D391-G393 PolarHBondContact O-N 3.22Å
392S50.6Low68.5Low96 Ų9669.7 Ų69.767%0.67138%0.38SS*.THydrogen-bonded Turntrans-78.12.3178.777.90000114.3N390 A394N390-S392 VanDerWaalsContact CG-OG 3.32Å; N390-S392 PolarHBondContact ND2-OG 3.38Å; N390-S392 PolarHBondContact O-N 3.31Å; N390-S392 WeakPolarHBondContact OD1-CA 3.36Å; N390-S392 PolarHBondContact OD1-N 2.9Å; N390-S392 VanDerWaalsContact OD1-N 3.08Å; N390-S392 PolarHBondContact OD1-OG 3.09Å; S392-A394 VanDerWaalsContact C-N 3.28Å; S392-A394 PolarHBondContact O-N 3.14Å
393G60Low69.6Low47 Ų4773.3 Ų73.349%0.48541%0.409SS..SBendtrans80.93.9-178.800000114.5I389 N390 D391I389-G393 WeakPolarHBondContact CG2-O 3.43Å; N390-G393 PolarHBondContact O-N 3.24Å; N390-G393 VanDerWaalsContact O-N 3.15Å; N390-G393 PolarHBondContact OD1-N 2.84Å; N390-G393 VanDerWaalsContact OD1-N 3.11Å; D391-G393 PolarHBondContact O-N 3.22Å
394A64.7Low70.7Confident46 Ų4673.5 Ų73.538%0.3841%0.408SS..PPolyproline II helixtrans-85.3133.8178.100000111.3I389 N390 S392I389-A394 WeakPolarHBondContact CA-O 3.37Å; N390-A394 PolarHBondContact N-O 3.46Å; N390-A394 PolarHBondContact OD1-N 3.32Å; N390-A394 PolarHBondContact OD1-O 2.88Å; S392-A394 VanDerWaalsContact C-N 3.28Å; S392-A394 PolarHBondContact O-N 3.14Å
395H79.7Confident71.3Confident39 Ų3980 Ų8018%0.18143%0.425CS..BIsolated β-bridgetrans-66.1135.2172.9-157.4-64000110Y388 R397 Y494 Y495Y388-H395 AromaticContact CD2-CD2 3.78Å; Y388-H395 AromaticContact CD2-NE2 3.49Å; Y388-H395 WeakPolarHBondContact CD2-NE2 3.4Å; Y388-H395 WeakPolarHBondContact O-CA 3.26Å; H395-R397 PolarHBondContact O-N 2.7Å; H395-Y494 AromaticContact CE1-CD1 3.84Å; H395-Y494 AromaticContact CE1-CE1 3.22Å; H395-Y494 WeakPolarHBondContact CE1-CE1 3.34Å; H395-Y494 AromaticContact CE1-CZ 3.43Å; H395-Y494 VanDerWaalsContact CE1-CZ 3.43Å; H395-Y494 AromaticContact ND1-CE1 3.37Å; H395-Y494 WeakPolarHBondContact ND1-CE1 3.42Å; H395-Y494 AromaticContact ND1-CZ 3.8Å; H395-Y494 PolarHBondContact NE2-O 3.45Å; H395-Y495 HydrophobicContact CB-CD1 4.03Å; H395-Y495 HydrophobicContact CB-CE1 4.27Å; H395-Y495 AromaticContact CG-CD1 3.71Å; H395-Y495 AromaticContact ND1-CD1 3.88Å; H395-Y495 AromaticContact ND1-CE1 4Å
396H76.5Confident71.6Confident86 Ų8680.9 Ų80.940%0.39844%0.436SS..PPolyproline II helixtrans-60.9134.1171.8-72.4-65.4000109.9R387 Y388 Y494R387-H396 PolarHBondContact O-CD2 2.68Å; Y388-H396 PolarHBondContact O-CD2 3.19Å; Y388-H396 PolarHBondContact O-N 2.9Å; H396-Y494 WeakPolarHBondContact O-CE1 3.29Å; H396-Y494 PolarHBondContact O-OH 3.36Å
397R79.6Confident72.5Confident222 Ų22279.5 Ų79.584%0.83843%0.432SS*.PPolyproline II helixtrans-66.2137.9172.2-67.3-176.6179.9-176.3-0.1109H395H395-R397 PolarHBondContact O-N 2.7Å
398P82.6Confident73.3Confident57 Ų5777.5 Ų77.537%0.3743%0.427SS..PPolyproline II helixtrans-65.9137.2-17927.5-32.9000110.3E420 Y494 Y495P398-E420 HydrophobicContact CB-CB 3.62Å; P398-E420 HydrophobicContact CB-CG 4.24Å; P398-Y494 HydrophobicContact CB-CD1 4.21Å; P398-Y494 HydrophobicContact CB-CD2 4.24Å; P398-Y494 HydrophobicContact CB-CE1 3.89Å; P398-Y494 HydrophobicContact CB-CE2 3.97Å; P398-Y494 HydrophobicContact CB-CG 4.37Å; P398-Y494 HydrophobicContact CG-CD1 4.14Å; P398-Y494 HydrophobicContact CG-CE1 4.01Å; P398-Y495 WeakPolarHBondContact CD-OH 3.34Å
399R78.6Confident74Confident123 Ų12381.6 Ų81.646%0.46444%0.442SS..PPolyproline II helixtrans-64.1147.4167.9-70.1174.3-71.9-146.9-12.5109.7E386 K401 E420E386-R399 IonicContact OE1-NH2 2.65Å; E386-R399 IonicContact OE2-NH2 2.79Å; R399-K401 PolarHBondContact O-N 3.42Å; R399-E420 WeakPolarHBondContact CB-OE2 3.28Å; R399-E420 VanDerWaalsContact CG-OE2 3.25Å; R399-E420 WeakPolarHBondContact CG-OE2 3.35Å; R399-E420 IonicContact CZ-OE1 3.57Å; R399-E420 IonicContact CZ-OE2 3.67Å; R399-E420 VanDerWaalsContact CZ-OE2 3.3Å; R399-E420 PolarHBondContact N-OE2 2.76Å; R399-E420 IonicContact NE-OE1 2.72Å; R399-E420 IonicContact NE-OE2 2.71Å; R399-E420 PolarHBondContact NE-OE2 3.22Å; R399-E420 VanDerWaalsContact NH2-CD 3.3Å; R399-E420 IonicContact NH2-OE1 3.93Å; R399-E420 PolarHBondContact NH2-OE1 3.35Å; R399-E420 IonicContact NH2-OE2 3.78Å; R399-E420 PolarHBondContact NH2-OE2 2.94Å
400A80.2Confident75.3Confident114 Ų11480.4 Ų80.494%0.94244%0.436SS*.SBendtrans-62-31175.500000112.7
401K82.8Confident76.8Confident175 Ų17578.5 Ų78.576%0.76143%0.427SS*.SBendtrans-147.3130.2172.4-166.5168.4-175.3174.30109.6R399 G418R399-K401 PolarHBondContact O-N 3.42Å; K401-G418 CarbonylContact C-O 3.47Å; K401-G418 WeakPolarHBondContact CA-O 3.41Å
402A81Confident78.1Confident10 Ų1072.3 Ų72.38%0.08339%0.394CS..  trans-115133.9175.700000109.2F404 G418A402-F404 PolarHBondContact O-N 3.05Å; A402-G418 PolarHBondContact N-O 3.47Å; A402-G418 WeakPolarHBondContact O-CA 3.39Å
403A75.3Confident80.2Confident85 Ų8568 Ų6870%0.70236%0.364SS*.  trans-71128.3175.100000109.8R405A403-R405 PolarHBondContact O-N 3.31Å
404F78.2Confident81.8Confident37 Ų3767.1 Ų67.116%0.16235%0.348CS..  trans-65.9123.5176.2178.8-110.8000110.4A402 G406 V408 A411 A415 L416 L457A402-F404 PolarHBondContact O-N 3.05Å; F404-G406 WeakPolarHBondContact CE1-O 3.26Å; F404-G406 WeakPolarHBondContact CZ-O 3.27Å; F404-V408 HydrophobicContact CE1-CG2 3.79Å; F404-V408 HydrophobicContact CZ-CG2 4.47Å; F404-A411 HydrophobicContact CD2-CB 4.45Å; F404-A411 HydrophobicContact CE2-CB 3.32Å; F404-A411 HydrophobicContact CZ-CB 3.54Å; F404-A415 HydrophobicContact CD2-CB 4.19Å; F404-A415 HydrophobicContact CE2-CB 4.29Å; F404-L416 HydrophobicContact CD1-CD2 4.48Å; F404-L416 HydrophobicContact CD2-CD2 4.44Å; F404-L416 HydrophobicContact CE1-CD2 4.17Å; F404-L416 HydrophobicContact CE2-CD2 4.15Å; F404-L416 HydrophobicContact CZ-CD2 3.99Å; F404-L457 HydrophobicContact CB-CD1 4.25Å; F404-L457 HydrophobicContact CD1-CD1 4.23Å; F404-L457 HydrophobicContact CD1-CD2 4.05Å; F404-L457 HydrophobicContact CE1-CD2 4.29Å; F404-L457 HydrophobicContact CG-CD1 4.48Å
405R66.2Low83.1Confident175 Ų17565 Ų6566%0.6633%0.331SS*.  trans-132111.4170.9-65.9-171-179.5-165.30.7107.7A403A403-R405 PolarHBondContact O-N 3.31Å
406G68.1Low83.8Confident34 Ų3463.5 Ų63.535%0.35132%0.324SS..SBendtrans156.3-168.4178.900000112.7D373 F404D373-G406 WeakPolarHBondContact OD1-CA 3.19Å; F404-G406 WeakPolarHBondContact CE1-O 3.26Å; F404-G406 WeakPolarHBondContact CZ-O 3.27Å
407T80.6Confident84.5Confident34 Ų3463.7 Ų63.721%0.20932%0.322CS..  trans-91.2114.9-178.1-53.20000111.2D373 K375 W409 Y410 A411D373-T407 PolarHBondContact OD1-N 3.06Å; D373-T407 PolarHBondContact OD1-OG1 3.41Å; K375-T407 HydrophobicContact CD-CG2 4.43Å; K375-T407 WeakPolarHBondContact CD-OG1 3.01Å; K375-T407 PolarHBondContact NZ-OG1 3.15Å; K375-T407 VanDerWaalsContact NZ-OG1 3.17Å; T407-W409 VanDerWaalsContact C-N 3.25Å; T407-W409 PolarHBondContact O-N 2.88Å; T407-W409 VanDerWaalsContact O-N 3.14Å; T407-Y410 HydrophobicContact CG2-CD2 3.94Å; T407-Y410 HydrophobicContact CG2-CE2 4.3Å; T407-Y410 PolarHBondContact O-N 3.28Å; T407-A411 PolarHBondContact O-N 3.27Å; T407-A411 VanDerWaalsContact O-N 3.13Å
408V90Very high85Confident21 Ų2153.6 Ų53.613%0.12729%0.286CS..THydrogen-bonded Turntrans-51.6-40.5-174.3175.10000112.8F404 Y410 L416 F453 L457 T460 K464F404-V408 HydrophobicContact CE1-CG2 3.79Å; F404-V408 HydrophobicContact CZ-CG2 4.47Å; V408-Y410 VanDerWaalsContact C-N 3.34Å; V408-Y410 PolarHBondContact O-N 3.31Å; V408-L416 HydrophobicContact CG1-CD2 4.12Å; V408-F453 HydrophobicContact CG2-CE2 4.38Å; V408-F453 HydrophobicContact CG2-CZ 4.42Å; V408-L457 HydrophobicContact CG1-CD2 4.28Å; V408-L457 HydrophobicContact CG2-CD2 3.67Å; V408-T460 HydrophobicContact CG1-CG2 3.87Å; V408-K464 PolarHBondContact O-NZ 3.13Å
409W90.6Very high85.4Confident102 Ų10254.7 Ų54.739%0.38629%0.286SS..THydrogen-bonded Turntrans-61.3-36-176.3-62.7-19.8000114.4T407 R436 W444 M445 K464T407-W409 VanDerWaalsContact C-N 3.25Å; T407-W409 PolarHBondContact O-N 2.88Å; T407-W409 VanDerWaalsContact O-N 3.14Å; W409-R436 VanDerWaalsContact CE3-NH1 3.28Å; W409-W444 PolarHBondContact O-NE1 3.49Å; W409-M445 HydrophobicContact CB-CG 4.3Å; W409-M445 HydrophobicContact CD2-CE 4.08Å; W409-M445 HydrophobicContact CD2-CG 3.99Å; W409-M445 HydrophobicContact CD2-SD 4.45Å; W409-M445 HydrophobicContact CE3-CE 3.89Å; W409-M445 HydrophobicContact CE3-SD 4.49Å; W409-M445 HydrophobicContact CG-CG 3.85Å; W409-M445 HydrophobicContact CH2-CE 4Å; W409-M445 HydrophobicContact CZ2-CE 4.19Å; W409-M445 HydrophobicContact CZ3-CE 3.85Å; W409-K464 WeakPolarHBondContact O-CE 3.38Å; W409-K464 PolarHBondContact O-NZ 3.26Å
410Y89.9Confident85.8Confident3 Ų349.6 Ų49.61%0.01227%0.268CS..THydrogen-bonded Turntrans-106.9-14.4-174.6-52-67.5000113.5I374 K375 P376 T407 V408 A429 Y432 I433 R436 L442I374-Y410 WeakPolarHBondContact O-CB 3.41Å; K375-Y410 HydrophobicContact CB-CD2 3.64Å; K375-Y410 HydrophobicContact CB-CE2 3.8Å; P376-Y410 VanDerWaalsContact CD-OH 3.27Å; P376-Y410 WeakPolarHBondContact CD-OH 3.13Å; P376-Y410 HydrophobicContact CG-CE2 4.31Å; P376-Y410 VanDerWaalsContact CG-OH 3.3Å; P376-Y410 WeakPolarHBondContact CG-OH 3.34Å; T407-Y410 HydrophobicContact CG2-CD2 3.94Å; T407-Y410 HydrophobicContact CG2-CE2 4.3Å; T407-Y410 PolarHBondContact O-N 3.28Å; V408-Y410 VanDerWaalsContact C-N 3.34Å; V408-Y410 PolarHBondContact O-N 3.31Å; Y410-A429 WeakPolarHBondContact O-CA 3.27Å; Y410-A429 WeakPolarHBondContact O-CB 3.42Å; Y410-Y432 WeakPolarHBondContact O-CD2 3.49Å; Y410-I433 HydrophobicContact CD1-CD1 4.5Å; Y410-I433 HydrophobicContact CD1-CG1 3.58Å; Y410-I433 HydrophobicContact CE1-CG1 3.72Å; Y410-I433 HydrophobicContact CG-CG1 4.09Å; Y410-R436 WeakPolarHBondContact OH-CD 3.22Å; Y410-R436 PolarHBondContact OH-NE 3.5Å; Y410-R436 PolarHBondContact OH-NH1 3.1Å; Y410-L442 HydrophobicContact CD1-CD1 4.3Å; Y410-L442 HydrophobicContact CE1-CD1 4.23Å
411A91.7Very high86.2Confident11 Ų1145 Ų459%0.09123%0.227CC..SBendtrans-55.7146.2175.900000112.4F404 T407 A415 L416 K464F404-A411 HydrophobicContact CD2-CB 4.45Å; F404-A411 HydrophobicContact CE2-CB 3.32Å; F404-A411 HydrophobicContact CZ-CB 3.54Å; T407-A411 PolarHBondContact O-N 3.27Å; T407-A411 VanDerWaalsContact O-N 3.13Å; A411-A415 HydrophobicContact CB-CB 4.33Å; A411-L416 HydrophobicContact CB-CD2 3.89Å; A411-L416 HydrophobicContact CB-CG 4.08Å; A411-K464 PolarHBondContact O-NZ 2.76Å
412S94.1Very high86.4Confident1 Ų136.7 Ų36.71%0.00719%0.191CC..  trans-65.7159.7171.871.90000111.1N414 A415 L416 D425S412-N414 PolarHBondContact O-N 2.89Å; S412-N414 PolarHBondContact OG-N 2.73Å; S412-A415 PolarHBondContact O-N 2.87Å; S412-A415 WeakPolarHBondContact OG-CB 3.49Å; S412-A415 PolarHBondContact OG-N 3.38Å; S412-L416 WeakPolarHBondContact O-CG 3.44Å; S412-L416 PolarHBondContact O-N 3.22Å; S412-L416 VanDerWaalsContact O-N 3.11Å; S412-D425 VanDerWaalsContact CB-OD1 3.25Å; S412-D425 WeakPolarHBondContact CB-OD1 3.38Å; S412-D425 PolarHBondContact OG-OD1 3.44Å
413S94.9Very high86.8Confident5 Ų537.4 Ų37.44%0.03519%0.191CC..Hα-helixtrans-59.9-33.6172.5-49.10000111.7L416 R417 A461 K464 D465S413-L416 PolarHBondContact O-N 3.44Å; S413-R417 WeakPolarHBondContact O-CG 3.11Å; S413-R417 PolarHBondContact O-N 3.03Å; S413-R417 VanDerWaalsContact O-N 3.08Å; S413-A461 PolarHBondContact OG-O 3.14Å; S413-K464 WeakPolarHBondContact OG-CB 3.35Å; S413-D465 WeakPolarHBondContact CB-OD1 3.18Å; S413-D465 PolarHBondContact OG-OD1 3.38Å
414N93.5Very high87.6Confident29 Ų2934.7 Ų34.716%0.15516%0.163CC..Hα-helixtrans-62.4-46.7176.2-42.8-51.2000111.1S412 L416 R417 G418 E419 R424 D425S412-N414 PolarHBondContact O-N 2.89Å; S412-N414 PolarHBondContact OG-N 2.73Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.23Å; N414-R417 PolarHBondContact O-N 2.68Å; N414-G418 PolarHBondContact O-N 2.89Å; N414-E419 HydrophobicContact CB-CB 4.02Å; N414-E419 HydrophobicContact CB-CG 4.36Å; N414-E419 WeakPolarHBondContact O-CB 3.42Å; N414-E419 PolarHBondContact O-N 2.65Å; N414-R424 PolarHBondContact ND2-NE 3.4Å; N414-D425 WeakPolarHBondContact CB-OD1 3.45Å; N414-D425 PolarHBondContact ND2-OD1 2.85Å
415A92Very high88.2Confident2 Ų233 Ų332%0.01716%0.156CC..Hα-helixtrans-63.5-40.1179.400000111.9F404 A411 S412 R417 G418 Q421F404-A415 HydrophobicContact CD2-CB 4.19Å; F404-A415 HydrophobicContact CE2-CB 4.29Å; A411-A415 HydrophobicContact CB-CB 4.33Å; S412-A415 PolarHBondContact O-N 2.87Å; S412-A415 WeakPolarHBondContact OG-CB 3.49Å; S412-A415 PolarHBondContact OG-N 3.38Å; A415-R417 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 2.93Å; A415-G418 PolarHBondContact O-N 3.49Å; A415-G418 VanDerWaalsContact O-N 3.15Å; A415-Q421 HydrophobicContact CB-CG 3.73Å
416L93.2Very high89.3Confident8 Ų824.8 Ų24.84%0.04213%0.125CC..Hα-helixtrans-64.8-32.7176.4-66.7178.9000112.4F404 V408 A411 S412 S413 N414 G418 L457 T460 A461 K464F404-L416 HydrophobicContact CD1-CD2 4.48Å; F404-L416 HydrophobicContact CD2-CD2 4.44Å; F404-L416 HydrophobicContact CE1-CD2 4.17Å; F404-L416 HydrophobicContact CE2-CD2 4.15Å; F404-L416 HydrophobicContact CZ-CD2 3.99Å; V408-L416 HydrophobicContact CG1-CD2 4.12Å; A411-L416 HydrophobicContact CB-CD2 3.89Å; A411-L416 HydrophobicContact CB-CG 4.08Å; S412-L416 WeakPolarHBondContact O-CG 3.44Å; S412-L416 PolarHBondContact O-N 3.22Å; S412-L416 VanDerWaalsContact O-N 3.11Å; S413-L416 PolarHBondContact O-N 3.44Å; N414-L416 VanDerWaalsContact C-N 3.34Å; N414-L416 PolarHBondContact O-N 3.23Å; L416-G418 PolarHBondContact O-N 3.36Å; L416-L457 HydrophobicContact CB-CB 4.39Å; L416-L457 HydrophobicContact CD2-CB 4.46Å; L416-L457 HydrophobicContact CD2-CD2 3.76Å; L416-T460 HydrophobicContact CD1-CG2 3.63Å; L416-A461 HydrophobicContact CB-CB 3.95Å; L416-A461 HydrophobicContact CD1-CB 4.04Å; L416-K464 HydrophobicContact CD1-CD 4.1Å
417R92.4Very high90.4Very high90 Ų9023.2 Ų23.234%0.3411%0.108SC..THydrogen-bonded Turntrans-82.74.3175.2-67.9-173.5-174.4110.42.9114.2S413 N414 A415 E419 E458 A461 D465S413-R417 WeakPolarHBondContact O-CG 3.11Å; S413-R417 PolarHBondContact O-N 3.03Å; S413-R417 VanDerWaalsContact O-N 3.08Å; N414-R417 PolarHBondContact O-N 2.68Å; A415-R417 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 2.93Å; R417-E419 VanDerWaalsContact C-N 3.34Å; R417-E458 WeakPolarHBondContact CG-OE2 3.31Å; R417-E458 IonicContact NE-OE1 3.75Å; R417-E458 IonicContact NE-OE2 3.83Å; R417-E458 PolarHBondContact NE-OE2 3.38Å; R417-E458 IonicContact NH2-OE1 3.19Å; R417-A461 HydrophobicContact CG-CB 4.22Å; R417-D465 IonicContact CZ-OD2 3.22Å; R417-D465 IonicContact NH1-OD2 3.55Å; R417-D465 PolarHBondContact NH1-OD2 2.78Å; R417-D465 IonicContact NH2-OD2 3.74Å; R417-D465 PolarHBondContact NH2-OD2 3.22Å
418G89.7Confident91Very high9 Ų922.9 Ų22.99%0.09310%0.103CC..THydrogen-bonded Turntrans73.624.1178.600000114K401 A402 N414 A415 L416K401-G418 CarbonylContact C-O 3.47Å; K401-G418 WeakPolarHBondContact CA-O 3.41Å; A402-G418 PolarHBondContact N-O 3.47Å; A402-G418 WeakPolarHBondContact O-CA 3.39Å; N414-G418 PolarHBondContact O-N 2.89Å; A415-G418 PolarHBondContact O-N 3.49Å; A415-G418 VanDerWaalsContact O-N 3.15Å; L416-G418 PolarHBondContact O-N 3.36Å
419E90.8Very high91Very high80 Ų8022.1 Ų22.137%0.37410%0.099SC..PPolyproline II helixtrans-72.9155.9165.4-65.7-175.9-147.900110.8N414 R417 Q421 R424N414-E419 HydrophobicContact CB-CB 4.02Å; N414-E419 HydrophobicContact CB-CG 4.36Å; N414-E419 WeakPolarHBondContact O-CB 3.42Å; N414-E419 PolarHBondContact O-N 2.65Å; R417-E419 VanDerWaalsContact C-N 3.34Å; E419-Q421 PolarHBondContact O-N 3Å; E419-R424 IonicContact OE2-CZ 3.69Å; E419-R424 IonicContact OE2-NH1 2.73Å; E419-R424 IonicContact OE2-NH2 2.65Å; E419-R424 PolarHBondContact OE2-NH2 3.13Å
420E87.6Confident91Very high17 Ų1717.3 Ų17.38%0.0798%0.081CC..PPolyproline II helixtrans-62.1128.1172.5-167.770.5-89.500111P398 R399 Y494P398-E420 HydrophobicContact CB-CB 3.62Å; P398-E420 HydrophobicContact CB-CG 4.24Å; R399-E420 WeakPolarHBondContact CB-OE2 3.28Å; R399-E420 VanDerWaalsContact CG-OE2 3.25Å; R399-E420 WeakPolarHBondContact CG-OE2 3.35Å; R399-E420 IonicContact CZ-OE1 3.57Å; R399-E420 IonicContact CZ-OE2 3.67Å; R399-E420 VanDerWaalsContact CZ-OE2 3.3Å; R399-E420 PolarHBondContact N-OE2 2.76Å; R399-E420 IonicContact NE-OE1 2.72Å; R399-E420 IonicContact NE-OE2 2.71Å; R399-E420 PolarHBondContact NE-OE2 3.22Å; R399-E420 VanDerWaalsContact NH2-CD 3.3Å; R399-E420 IonicContact NH2-OE1 3.93Å; R399-E420 PolarHBondContact NH2-OE1 3.35Å; R399-E420 IonicContact NH2-OE2 3.78Å; R399-E420 PolarHBondContact NH2-OE2 2.94Å; E420-Y494 HydrophobicContact CB-CD2 4.23Å; E420-Y494 HydrophobicContact CB-CE2 3.64Å; E420-Y494 HydrophobicContact CG-CD2 4.45Å; E420-Y494 HydrophobicContact CG-CE2 3.43Å; E420-Y494 VanDerWaalsContact CG-CE2 3.43Å
421Q87.2Confident91.1Very high18 Ų1817.1 Ų17.18%0.0848%0.08CC..PPolyproline II helixtrans-74.2147.1177.6-67.2-172.165.200110.8I370 R372 A415 E419 D425I370-Q421 HydrophobicContact CD1-CB 4.19Å; I370-Q421 WeakPolarHBondContact CD1-O 3.34Å; R372-Q421 HydrophobicContact CG-CB 4.27Å; A415-Q421 HydrophobicContact CB-CG 3.73Å; E419-Q421 PolarHBondContact O-N 3Å; Q421-D425 WeakPolarHBondContact CA-OD2 3.25Å; Q421-D425 HydrophobicContact CB-CB 4.34Å; Q421-D425 HydrophobicContact CG-CB 4.4Å
422S87.5Confident91.1Very high0 Ų016.7 Ų16.70%08%0.076CC..  trans-145.4-174.4178.665.20000110.1R424 D425 D426 Y494S422-R424 PolarHBondContact O-N 2.81Å; S422-R424 VanDerWaalsContact O-N 3.1Å; S422-R424 VanDerWaalsContact OG-CG 3.27Å; S422-R424 WeakPolarHBondContact OG-CG 3.22Å; S422-R424 PolarHBondContact OG-N 2.99Å; S422-D425 PolarHBondContact N-OD2 3.06Å; S422-D425 WeakPolarHBondContact O-CB 3.24Å; S422-D425 PolarHBondContact O-N 3.13Å; S422-D425 PolarHBondContact OG-OD2 3.41Å; S422-D425 VanDerWaalsContact OG-OD2 3.14Å; S422-D426 PolarHBondContact O-N 3.01Å; S422-Y494 WeakPolarHBondContact CB-O 3.3Å
423R88.4Confident90.7Very high25 Ų2516.7 Ų16.79%0.0948%0.076CC..Hα-helixtrans-53.5-31.9175.3-64.9173.9-74.5-165.12.1112.7H365 I370 Y388 D425 D426 M427 Y495 M496 P498H365-R423 HydrophobicContact CB-CG 4.24Å; I370-R423 HydrophobicContact CG2-CG 3.84Å; Y388-R423 HydrophobicContact CD1-CG 4.41Å; Y388-R423 HydrophobicContact CE1-CG 4.1Å; Y388-R423 HydrophobicContact CE2-CG 4.31Å; Y388-R423 VanDerWaalsContact CE2-NH1 3.32Å; Y388-R423 VanDerWaalsContact CZ-CD 3.47Å; Y388-R423 PolarHBondContact OH-NH1 2.98Å; R423-D425 PolarHBondContact O-N 2.88Å; R423-D426 PolarHBondContact O-N 3.43Å; R423-M427 WeakPolarHBondContact O-CG 3.33Å; R423-M427 PolarHBondContact O-N 3Å; R423-M427 VanDerWaalsContact O-N 3.09Å; R423-Y495 PolarHBondContact NH2-O 3.28Å; R423-M496 PolarHBondContact NE-O 3.16Å; R423-M496 PolarHBondContact NH2-O 2.7Å; R423-P498 HydrophobicContact CB-CG 4.07Å
424R92.4Very high90.3Very high28 Ų2816.4 Ų16.411%0.1067%0.074CC..Hα-helixtrans-62.1-34.5177.783.4-165.6166.6157.9-5.6112.2N414 E419 S422 M427 W428 L492N414-R424 PolarHBondContact ND2-NE 3.4Å; E419-R424 IonicContact OE2-CZ 3.69Å; E419-R424 IonicContact OE2-NH1 2.73Å; E419-R424 IonicContact OE2-NH2 2.65Å; E419-R424 PolarHBondContact OE2-NH2 3.13Å; S422-R424 PolarHBondContact O-N 2.81Å; S422-R424 VanDerWaalsContact O-N 3.1Å; S422-R424 VanDerWaalsContact OG-CG 3.27Å; S422-R424 WeakPolarHBondContact OG-CG 3.22Å; S422-R424 PolarHBondContact OG-N 2.99Å; R424-M427 WeakPolarHBondContact O-CB 3.33Å; R424-M427 PolarHBondContact O-N 2.92Å; R424-W428 PolarHBondContact O-N 3.44Å; R424-L492 HydrophobicContact CB-CB 3.64Å; R424-L492 HydrophobicContact CB-CD1 4.44Å; R424-L492 WeakPolarHBondContact CD-O 3.46Å
425D92Very high90.1Very high2 Ų215.1 Ų15.11%0.0117%0.067CC..Hα-helixtrans-78.2-35.2-173.5-56.2-67.9000110.3S412 N414 Q421 S422 R423 W428 A429S412-D425 VanDerWaalsContact CB-OD1 3.25Å; S412-D425 WeakPolarHBondContact CB-OD1 3.38Å; S412-D425 PolarHBondContact OG-OD1 3.44Å; N414-D425 WeakPolarHBondContact CB-OD1 3.45Å; N414-D425 PolarHBondContact ND2-OD1 2.85Å; Q421-D425 WeakPolarHBondContact CA-OD2 3.25Å; Q421-D425 HydrophobicContact CB-CB 4.34Å; Q421-D425 HydrophobicContact CG-CB 4.4Å; S422-D425 PolarHBondContact N-OD2 3.06Å; S422-D425 WeakPolarHBondContact O-CB 3.24Å; S422-D425 PolarHBondContact O-N 3.13Å; S422-D425 PolarHBondContact OG-OD2 3.41Å; S422-D425 VanDerWaalsContact OG-OD2 3.14Å; R423-D425 PolarHBondContact O-N 2.88Å; D425-W428 PolarHBondContact O-N 3.15Å; D425-A429 PolarHBondContact O-N 3.34Å
426D88.7Confident89.9Confident2 Ų216.1 Ų16.11%0.0117%0.071CC..Hα-helixtrans-61.4-42166.4-78.4-18.2000112L361 H365 I370 H371 R372 I374 S422 R423 A429 W430L361-D426 HydrophobicContact CD1-CB 4.04Å; L361-D426 HydrophobicContact CD2-CB 4.12Å; H365-D426 IonicContact CD2-OD2 2.78Å; H365-D426 IonicContact CE1-OD2 3.61Å; H365-D426 IonicContact NE2-OD2 2.62Å; H365-D426 PolarHBondContact NE2-OD2 3.05Å; I370-D426 VanDerWaalsContact CA-OD2 3.25Å; I370-D426 WeakPolarHBondContact CA-OD2 3.28Å; I370-D426 WeakPolarHBondContact CB-OD2 3.45Å; H371-D426 PolarHBondContact N-OD1 3.11Å; H371-D426 PolarHBondContact N-OD2 3.22Å; R372-D426 PolarHBondContact N-OD1 2.85Å; I374-D426 HydrophobicContact CD1-CB 3.64Å; I374-D426 WeakPolarHBondContact CD1-O 3.31Å; S422-D426 PolarHBondContact O-N 3.01Å; R423-D426 PolarHBondContact O-N 3.43Å; D426-A429 PolarHBondContact O-N 2.84Å; D426-W430 WeakPolarHBondContact O-CB 3.36Å; D426-W430 PolarHBondContact O-N 3.13Å
427M91.6Very high89.1Confident0 Ų016.2 Ų16.20%07%0.071CC..Hα-helixtrans-63.8-40.8175-64.9-52.2-63.200112.5L359 L361 R423 R424 W430 Y431 I489 L492 P498 Y500 I503L359-M427 HydrophobicContact CD2-CE 3.79Å; L359-M427 HydrophobicContact CD2-SD 4Å; L361-M427 HydrophobicContact CD1-SD 4.12Å; R423-M427 WeakPolarHBondContact O-CG 3.33Å; R423-M427 PolarHBondContact O-N 3Å; R423-M427 VanDerWaalsContact O-N 3.09Å; R424-M427 WeakPolarHBondContact O-CB 3.33Å; R424-M427 PolarHBondContact O-N 2.92Å; M427-W430 HydrophobicContact CE-CE3 4.15Å; M427-W430 HydrophobicContact CE-CZ3 4.46Å; M427-W430 PolarHBondContact O-N 2.87Å; M427-Y431 WeakPolarHBondContact O-CB 3.45Å; M427-Y431 PolarHBondContact O-N 3.26Å; M427-I489 HydrophobicContact CB-CD1 4.3Å; M427-I489 HydrophobicContact CB-CG1 4.26Å; M427-I489 HydrophobicContact CB-CG2 4.18Å; M427-I489 HydrophobicContact CE-CD1 4.36Å; M427-I489 HydrophobicContact CE-CG1 4.42Å; M427-L492 HydrophobicContact CB-CD1 4.2Å; M427-L492 HydrophobicContact CG-CD1 4Å; M427-P498 HydrophobicContact CE-CB 4.33Å; M427-P498 HydrophobicContact CG-CB 3.8Å; M427-P498 HydrophobicContact CG-CG 3.49Å; M427-P498 VanDerWaalsContact CG-CG 3.49Å; M427-P498 HydrophobicContact SD-CB 3.96Å; M427-P498 HydrophobicContact SD-CG 3.97Å; M427-Y500 HydrophobicContact SD-CD1 4.41Å; M427-Y500 HydrophobicContact SD-CE1 3.87Å; M427-I503 HydrophobicContact CE-CD1 3.31Å
428W93.3Very high88.4Confident27 Ų2713.3 Ų13.310%0.1026%0.064CC..Hα-helixtrans-61.2-46.1174.1-83115.5000112.1R424 D425 W430 Y431 Y432 M468 L486 I489R424-W428 PolarHBondContact O-N 3.44Å; D425-W428 PolarHBondContact O-N 3.15Å; W428-W430 PolarHBondContact O-N 3.38Å; W428-Y431 HydrophobicContact CE3-CD1 4.49Å; W428-Y431 HydrophobicContact CZ3-CD1 4.39Å; W428-Y431 PolarHBondContact O-N 2.62Å; W428-Y432 HydrophobicContact CB-CE2 4.22Å; W428-Y432 AromaticContact CE3-CE1 3.82Å; W428-Y432 HydrophobicContact CE3-CE1 3.82Å; W428-Y432 HydrophobicContact CE3-CE2 4.46Å; W428-Y432 AromaticContact CE3-CZ 3.7Å; W428-Y432 HydrophobicContact CZ3-CE1 4.19Å; W428-Y432 VanDerWaalsContact O-CD2 3.26Å; W428-Y432 WeakPolarHBondContact O-CD2 3.21Å; W428-Y432 VanDerWaalsContact O-CG 3.26Å; W428-Y432 PolarHBondContact O-N 2.63Å; W428-M468 HydrophobicContact CH2-CB 4.4Å; W428-M468 HydrophobicContact CH2-CG 4Å; W428-M468 HydrophobicContact CZ3-CG 3.67Å; W428-M468 HydrophobicContact CZ3-SD 3.9Å; W428-L486 HydrophobicContact CH2-CD1 3.56Å; W428-L486 HydrophobicContact CZ3-CD1 3.52Å; W428-I489 HydrophobicContact CD2-CG2 3.86Å; W428-I489 HydrophobicContact CE3-CG2 4.19Å; W428-I489 HydrophobicContact CG-CG2 4.25Å; W428-I489 HydrophobicContact CH2-CG2 4.45Å; W428-I489 HydrophobicContact CZ2-CG2 4.13Å; W428-I489 HydrophobicContact CZ3-CG2 4.47Å
429A90.6Very high87.9Confident6 Ų615.4 Ų15.45%0.057%0.071CC..Hα-helixtrans-63-43.1178.300000112I374 Y410 D425 D426 Y431 Y432 I433I374-A429 HydrophobicContact CB-CB 3.85Å; I374-A429 HydrophobicContact CD1-CB 4.33Å; I374-A429 HydrophobicContact CG1-CB 4.43Å; Y410-A429 WeakPolarHBondContact O-CA 3.27Å; Y410-A429 WeakPolarHBondContact O-CB 3.42Å; D425-A429 PolarHBondContact O-N 3.34Å; D426-A429 PolarHBondContact O-N 2.84Å; A429-Y431 VanDerWaalsContact C-N 3.34Å; A429-Y431 PolarHBondContact O-N 2.82Å; A429-Y432 PolarHBondContact O-N 3.32Å; A429-I433 WeakPolarHBondContact O-CG1 3.21Å; A429-I433 PolarHBondContact O-N 3.37Å
430W89Confident87.5Confident0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-58.2-45.2172.2170.281.4000112P357 L359 L361 D426 M427 W428 I433 L434 I485 I489 I503 L507P357-W430 PolarHBondContact O-NE1 2.85Å; L359-W430 HydrophobicContact CD1-CH2 4.27Å; L359-W430 HydrophobicContact CD1-CZ2 3.93Å; L359-W430 HydrophobicContact CD2-CD2 3.66Å; L359-W430 HydrophobicContact CD2-CE3 4.22Å; L359-W430 HydrophobicContact CD2-CG 3.76Å; L359-W430 HydrophobicContact CD2-CZ2 4.38Å; L359-W430 HydrophobicContact CG-CD2 4.14Å; L359-W430 HydrophobicContact CG-CG 4.44Å; L359-W430 HydrophobicContact CG-CZ2 4Å; L361-W430 HydrophobicContact CD1-CB 3.82Å; L361-W430 HydrophobicContact CD1-CG 4.41Å; D426-W430 WeakPolarHBondContact O-CB 3.36Å; D426-W430 PolarHBondContact O-N 3.13Å; M427-W430 HydrophobicContact CE-CE3 4.15Å; M427-W430 HydrophobicContact CE-CZ3 4.46Å; M427-W430 PolarHBondContact O-N 2.87Å; W428-W430 PolarHBondContact O-N 3.38Å; W430-I433 PolarHBondContact O-N 2.87Å; W430-L434 HydrophobicContact CH2-CD2 3.59Å; W430-L434 HydrophobicContact CZ2-CD2 3.82Å; W430-L434 HydrophobicContact CZ3-CD2 4.15Å; W430-L434 WeakPolarHBondContact O-CB 3.25Å; W430-L434 PolarHBondContact O-N 3.39Å; W430-I485 HydrophobicContact CH2-CD1 4.42Å; W430-I485 HydrophobicContact CH2-CG2 3.95Å; W430-I485 HydrophobicContact CZ3-CG2 3.64Å; W430-I489 HydrophobicContact CE3-CD1 4.04Å; W430-I489 HydrophobicContact CZ3-CD1 3.91Å; W430-I503 HydrophobicContact CH2-CG2 3.45Å; W430-I503 VanDerWaalsContact CH2-CG2 3.45Å; W430-I503 HydrophobicContact CZ2-CG2 4.2Å; W430-I503 HydrophobicContact CZ3-CD1 4.48Å; W430-I503 HydrophobicContact CZ3-CG2 4.04Å; W430-L507 HydrophobicContact CH2-CD1 4.35Å; W430-L507 HydrophobicContact CH2-CD2 4.39Å; W430-L507 HydrophobicContact CZ2-CD1 3.96Å; W430-L507 HydrophobicContact CZ2-CD2 4.36Å
431Y92Very high87.4Confident0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-64.1-42.2179.3-176.4-100.8000112.2M427 W428 A429 I433 L434 V435 M468 L475 Y482 I485 L486 I489M427-Y431 WeakPolarHBondContact O-CB 3.45Å; M427-Y431 PolarHBondContact O-N 3.26Å; W428-Y431 HydrophobicContact CE3-CD1 4.49Å; W428-Y431 HydrophobicContact CZ3-CD1 4.39Å; W428-Y431 PolarHBondContact O-N 2.62Å; A429-Y431 VanDerWaalsContact C-N 3.34Å; A429-Y431 PolarHBondContact O-N 2.82Å; Y431-I433 VanDerWaalsContact C-N 3.32Å; Y431-I433 PolarHBondContact O-N 3.11Å; Y431-L434 WeakPolarHBondContact O-CB 3.4Å; Y431-L434 PolarHBondContact O-N 2.93Å; Y431-V435 HydrophobicContact CD1-CG2 4.12Å; Y431-V435 HydrophobicContact CE1-CG2 3.67Å; Y431-V435 HydrophobicContact CE2-CG2 4.25Å; Y431-V435 WeakPolarHBondContact O-CG2 3.47Å; Y431-V435 PolarHBondContact O-N 2.92Å; Y431-M468 HydrophobicContact CD1-SD 4.42Å; Y431-M468 HydrophobicContact CE1-SD 3.94Å; Y431-L475 VanDerWaalsContact OH-CD1 3.28Å; Y431-L475 WeakPolarHBondContact OH-CD1 2.99Å; Y431-L475 WeakPolarHBondContact OH-CD2 3.38Å; Y431-Y482 PolarHBondContact OH-O 3.36Å; Y431-I485 HydrophobicContact CD2-CG2 3.88Å; Y431-I485 HydrophobicContact CE2-CB 4.46Å; Y431-I485 HydrophobicContact CE2-CG2 4.08Å; Y431-L486 HydrophobicContact CD1-CD1 4.29Å; Y431-L486 HydrophobicContact CE1-CD1 3.82Å; Y431-L486 HydrophobicContact CE2-CB 4.19Å; Y431-I489 HydrophobicContact CD2-CD1 4.03Å; Y431-I489 HydrophobicContact CG-CD1 4.11Å
432Y91.7Very high87.5Confident2 Ų215.8 Ų15.81%0.0089%0.085CC..Hα-helixtrans-63.8-37.7175.6-62.4-32.3000112.5Y410 W428 A429 R436 W444 K464 M468Y410-Y432 WeakPolarHBondContact O-CD2 3.49Å; W428-Y432 HydrophobicContact CB-CE2 4.22Å; W428-Y432 AromaticContact CE3-CE1 3.82Å; W428-Y432 HydrophobicContact CE3-CE1 3.82Å; W428-Y432 HydrophobicContact CE3-CE2 4.46Å; W428-Y432 AromaticContact CE3-CZ 3.7Å; W428-Y432 HydrophobicContact CZ3-CE1 4.19Å; W428-Y432 VanDerWaalsContact O-CD2 3.26Å; W428-Y432 WeakPolarHBondContact O-CD2 3.21Å; W428-Y432 VanDerWaalsContact O-CG 3.26Å; W428-Y432 PolarHBondContact O-N 2.63Å; A429-Y432 PolarHBondContact O-N 3.32Å; Y432-R436 VanDerWaalsContact O-CB 3.24Å; Y432-R436 WeakPolarHBondContact O-CB 3.48Å; Y432-R436 PolarHBondContact O-N 2.87Å; Y432-W444 AromaticContact CD1-CH2 3.53Å; Y432-W444 HydrophobicContact CD1-CH2 3.53Å; Y432-W444 AromaticContact CD1-CZ2 3.58Å; Y432-W444 HydrophobicContact CD1-CZ2 3.58Å; Y432-W444 HydrophobicContact CD2-CZ2 4.11Å; Y432-W444 AromaticContact CE1-CH2 3.55Å; Y432-W444 HydrophobicContact CE1-CH2 3.55Å; Y432-W444 AromaticContact CE1-CZ2 3.86Å; Y432-W444 HydrophobicContact CE1-CZ2 3.86Å; Y432-W444 HydrophobicContact CE2-CZ2 4.37Å; Y432-W444 HydrophobicContact CG-CH2 4.18Å; Y432-W444 AromaticContact CG-CZ2 3.72Å; Y432-W444 HydrophobicContact CG-CZ2 3.72Å; Y432-K464 HydrophobicContact CE2-CD 3.98Å; Y432-M468 HydrophobicContact CE1-CE 4.01Å; Y432-M468 HydrophobicContact CE1-CG 4.22Å; Y432-M468 HydrophobicContact CE1-SD 3.81Å
433I86.5Confident87.7Confident0 Ų018.2 Ų18.20%010%0.101CC..Hα-helixtrans-64.1-47172.5-67.9166.3000110.2F343 I374 P376 Y410 A429 W430 Y431 V435 R436 I437F343-I433 HydrophobicContact CD1-CG2 4.37Å; F343-I433 HydrophobicContact CE1-CG2 4.27Å; I374-I433 HydrophobicContact CB-CD1 4.46Å; I374-I433 HydrophobicContact CG2-CD1 3.57Å; P376-I433 HydrophobicContact CG-CG1 4.36Å; P376-I433 HydrophobicContact CG-CG2 4.34Å; Y410-I433 HydrophobicContact CD1-CD1 4.5Å; Y410-I433 HydrophobicContact CD1-CG1 3.58Å; Y410-I433 HydrophobicContact CE1-CG1 3.72Å; Y410-I433 HydrophobicContact CG-CG1 4.09Å; A429-I433 WeakPolarHBondContact O-CG1 3.21Å; A429-I433 PolarHBondContact O-N 3.37Å; W430-I433 PolarHBondContact O-N 2.87Å; Y431-I433 VanDerWaalsContact C-N 3.32Å; Y431-I433 PolarHBondContact O-N 3.11Å; I433-V435 VanDerWaalsContact C-N 3.32Å; I433-V435 PolarHBondContact O-N 2.93Å; I433-R436 PolarHBondContact O-N 3.13Å; I433-R436 VanDerWaalsContact O-N 3.14Å; I433-I437 HydrophobicContact CG2-CG2 4.18Å; I433-I437 WeakPolarHBondContact O-CG1 3.07Å; I433-I437 VanDerWaalsContact O-CG2 3.28Å; I433-I437 WeakPolarHBondContact O-CG2 3.37Å; I433-I437 PolarHBondContact O-N 3.13Å
434L86.5Confident87.9Confident0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-56.5-44.3178.3176.263.6000112.2P356 W430 Y431 I437 T438 Y482 I485 L507P356-L434 HydrophobicContact CB-CD1 3.39Å; W430-L434 HydrophobicContact CH2-CD2 3.59Å; W430-L434 HydrophobicContact CZ2-CD2 3.82Å; W430-L434 HydrophobicContact CZ3-CD2 4.15Å; W430-L434 WeakPolarHBondContact O-CB 3.25Å; W430-L434 PolarHBondContact O-N 3.39Å; Y431-L434 WeakPolarHBondContact O-CB 3.4Å; Y431-L434 PolarHBondContact O-N 2.93Å; L434-I437 HydrophobicContact CD1-CD1 4.32Å; L434-I437 WeakPolarHBondContact O-CG1 3.38Å; L434-T438 PolarHBondContact O-N 2.88Å; L434-T438 PolarHBondContact O-OG1 3.06Å; L434-Y482 HydrophobicContact CD1-CE1 4.2Å; L434-Y482 HydrophobicContact CD1-CE2 4.19Å; L434-Y482 WeakPolarHBondContact CD1-OH 3.4Å; L434-Y482 HydrophobicContact CD2-CD1 4.39Å; L434-Y482 HydrophobicContact CD2-CE1 4.02Å; L434-Y482 HydrophobicContact CD2-CE2 4.19Å; L434-Y482 HydrophobicContact CG-CD2 4.39Å; L434-Y482 HydrophobicContact CG-CE1 4.16Å; L434-Y482 HydrophobicContact CG-CE2 3.7Å; L434-I485 HydrophobicContact CD2-CD1 4.3Å; L434-L507 HydrophobicContact CD2-CD2 4.38Å
435V89.2Confident87.8Confident1 Ų117 Ų171%0.00610%0.098CC..Hα-helixtrans-65.6-48175.3171.70000110.2Y431 I433 I437 T438 Q439 L442 M474 L475 Y482Y431-V435 HydrophobicContact CD1-CG2 4.12Å; Y431-V435 HydrophobicContact CE1-CG2 3.67Å; Y431-V435 HydrophobicContact CE2-CG2 4.25Å; Y431-V435 WeakPolarHBondContact O-CG2 3.47Å; Y431-V435 PolarHBondContact O-N 2.92Å; I433-V435 VanDerWaalsContact C-N 3.32Å; I433-V435 PolarHBondContact O-N 2.93Å; V435-I437 VanDerWaalsContact C-N 3.34Å; V435-I437 PolarHBondContact O-N 3.03Å; V435-T438 PolarHBondContact O-N 3.42Å; V435-Q439 HydrophobicContact CG1-CG 4.18Å; V435-Q439 WeakPolarHBondContact O-CG 3.42Å; V435-Q439 PolarHBondContact O-N 3.35Å; V435-L442 HydrophobicContact CB-CD2 4.18Å; V435-L442 HydrophobicContact CG1-CD2 3.8Å; V435-M474 HydrophobicContact CG1-CE 4.12Å; V435-M474 HydrophobicContact CG1-SD 4.36Å; V435-L475 HydrophobicContact CG1-CD2 4.23Å; V435-L475 HydrophobicContact CG2-CD2 3.73Å; V435-Y482 HydrophobicContact CG2-CD2 4.21Å
436R86.8Confident87.7Confident24 Ų2423.1 Ų23.19%0.09113%0.126CC..Hα-helixtrans-57.8-44.9-178.3-177.4179.3175.1153.2-0.6112.5W409 Y410 Y432 I433 T438 G440 L442 M445W409-R436 VanDerWaalsContact CE3-NH1 3.28Å; Y410-R436 WeakPolarHBondContact OH-CD 3.22Å; Y410-R436 PolarHBondContact OH-NE 3.5Å; Y410-R436 PolarHBondContact OH-NH1 3.1Å; Y432-R436 VanDerWaalsContact O-CB 3.24Å; Y432-R436 WeakPolarHBondContact O-CB 3.48Å; Y432-R436 PolarHBondContact O-N 2.87Å; I433-R436 PolarHBondContact O-N 3.13Å; I433-R436 VanDerWaalsContact O-N 3.14Å; R436-T438 PolarHBondContact O-N 2.69Å; R436-G440 CarbonylContact C-O 3.6Å; R436-G440 WeakPolarHBondContact CA-O 3.35Å; R436-G440 WeakPolarHBondContact CG-O 3.33Å; R436-G440 CarbonylContact O-C 3.56Å; R436-G440 VanDerWaalsContact O-CA 3.22Å; R436-G440 WeakPolarHBondContact O-CA 3.41Å; R436-G440 PolarHBondContact O-N 3.08Å; R436-L442 HydrophobicContact CB-CD1 4.09Å; R436-L442 HydrophobicContact CB-CD2 4.25Å; R436-L442 HydrophobicContact CB-CG 3.97Å; R436-L442 HydrophobicContact CG-CG 4.42Å; R436-M445 VanDerWaalsContact CZ-SD 3.58Å; R436-M445 PolarHBondContact NH1-SD 3.45Å
437I76.9Confident87.7Confident9 Ų926 Ų265%0.04614%0.141CC..Hα-helixtrans-67.9-24.4-179.567.2174.7000112.7F343 V347 P353 P357 I433 L434 V435F343-I437 HydrophobicContact CD1-CG2 4.22Å; F343-I437 HydrophobicContact CE1-CD1 3.91Å; F343-I437 HydrophobicContact CE1-CG2 3.55Å; F343-I437 HydrophobicContact CZ-CD1 3.95Å; F343-I437 HydrophobicContact CZ-CG2 4.42Å; V347-I437 HydrophobicContact CG2-CB 4.24Å; V347-I437 HydrophobicContact CG2-CG2 3.34Å; P353-I437 VanDerWaalsContact CD-O 3.28Å; P353-I437 WeakPolarHBondContact CD-O 3.46Å; P353-I437 HydrophobicContact CG-CB 3.7Å; P353-I437 HydrophobicContact CG-CD1 4.11Å; P353-I437 HydrophobicContact CG-CG1 4.16Å; P357-I437 HydrophobicContact CG-CD1 4.07Å; I433-I437 HydrophobicContact CG2-CG2 4.18Å; I433-I437 WeakPolarHBondContact O-CG1 3.07Å; I433-I437 VanDerWaalsContact O-CG2 3.28Å; I433-I437 WeakPolarHBondContact O-CG2 3.37Å; I433-I437 PolarHBondContact O-N 3.13Å; L434-I437 HydrophobicContact CD1-CD1 4.32Å; L434-I437 WeakPolarHBondContact O-CG1 3.38Å; V435-I437 VanDerWaalsContact C-N 3.34Å; V435-I437 PolarHBondContact O-N 3.03Å
438T78.8Confident87.5Confident30 Ų3031.3 Ų31.318%0.18418%0.175CC..Hα-helixtrans-86.2-37.5-176.1-520000111.9L434 V435 R436 C478 Y482L434-T438 PolarHBondContact O-N 2.88Å; L434-T438 PolarHBondContact O-OG1 3.06Å; V435-T438 PolarHBondContact O-N 3.42Å; R436-T438 PolarHBondContact O-N 2.69Å; T438-C478 HydrophobicContact CG2-CB 4.25Å; T438-Y482 HydrophobicContact CG2-CE2 4.14Å; T438-Y482 WeakPolarHBondContact OG1-CE2 3.33Å; T438-Y482 PolarHBondContact OG1-OH 3.1Å
439Q79.5Confident87Confident53 Ų5334.8 Ų34.825%0.24821%0.21CC..Hα-helixtrans-121.6-5.7-171.581.1-166.315.500115V435 M474 C478V435-Q439 HydrophobicContact CG1-CG 4.18Å; V435-Q439 WeakPolarHBondContact O-CG 3.42Å; V435-Q439 PolarHBondContact O-N 3.35Å; Q439-M474 VanDerWaalsContact NE2-CG 3.3Å; Q439-M474 PolarHBondContact OE1-O 2.84Å; Q439-C478 PolarHBondContact OE1-SG 2.95Å; Q439-C478 VanDerWaalsContact OE1-SG 3.42Å
440G81.5Confident86.8Confident35 Ų3536.4 Ų36.436%0.36122%0.223SC..SBendtrans91.7-146.8-173.300000112.8R436R436-G440 CarbonylContact C-O 3.6Å; R436-G440 WeakPolarHBondContact CA-O 3.35Å; R436-G440 WeakPolarHBondContact CG-O 3.33Å; R436-G440 CarbonylContact O-C 3.56Å; R436-G440 VanDerWaalsContact O-CA 3.22Å; R436-G440 WeakPolarHBondContact O-CA 3.41Å; R436-G440 PolarHBondContact O-N 3.08Å
441D85.8Confident86.7Confident86 Ų8641.4 Ų41.446%0.4627%0.265SS..SBendtrans-58.5145.1-170.8-69.1-22.9000113.9M445 H446D441-M445 HydrophobicContact CB-SD 4.26Å; D441-H446 WeakPolarHBondContact CB-NE2 3.38Å; D441-H446 IonicContact OD2-CE1 3.52Å; D441-H446 PolarHBondContact OD2-CE1 3.11Å; D441-H446 VanDerWaalsContact OD2-CE1 3.3Å; D441-H446 IonicContact OD2-NE2 2.69Å; D441-H446 PolarHBondContact OD2-NE2 2.89Å
442L89.1Confident86.6Confident1 Ų143.3 Ų43.31%0.00528%0.278CS..  trans-82.9146.3175.8-63160.5000109.8Y410 V435 R436 W444 M445Y410-L442 HydrophobicContact CD1-CD1 4.3Å; Y410-L442 HydrophobicContact CE1-CD1 4.23Å; V435-L442 HydrophobicContact CB-CD2 4.18Å; V435-L442 HydrophobicContact CG1-CD2 3.8Å; R436-L442 HydrophobicContact CB-CD1 4.09Å; R436-L442 HydrophobicContact CB-CD2 4.25Å; R436-L442 HydrophobicContact CB-CG 3.97Å; R436-L442 HydrophobicContact CG-CG 4.42Å; L442-W444 HydrophobicContact CB-CD2 4.09Å; L442-W444 HydrophobicContact CB-CH2 4.34Å; L442-W444 HydrophobicContact CB-CZ2 3.81Å; L442-W444 HydrophobicContact CD1-CZ2 3.68Å; L442-W444 HydrophobicContact CD2-CH2 4.07Å; L442-W444 HydrophobicContact CD2-CZ2 3.91Å; L442-W444 HydrophobicContact CG-CZ2 4Å; L442-W444 PolarHBondContact O-N 3.44Å; L442-M445 HydrophobicContact CB-CG 4.06Å; L442-M445 HydrophobicContact CB-SD 4.1Å; L442-M445 HydrophobicContact CD1-SD 4.49Å; L442-M445 HydrophobicContact CG-SD 4.43Å; L442-M445 PolarHBondContact N-SD 2.9Å; L442-M445 WeakPolarHBondContact O-CB 3.41Å; L442-M445 PolarHBondContact O-N 2.79Å
443P91.1Very high86.3Confident52 Ų5248.2 Ų48.234%0.33830%0.299SS..G310 helixtrans-54.2-33.6-174.1-28.635.6000114.9N467 M474P443-N467 WeakPolarHBondContact CG-OD1 3.44Å; P443-M474 HydrophobicContact CG-CG 4.17Å; P443-M474 HydrophobicContact CG-SD 4.08Å
444W93.4Very high86.4Confident4 Ų454.4 Ų54.42%0.01533%0.328CS..G310 helixtrans-84.3-5.8-178.152.482.3000114.7W409 Y432 L442 H446 L447 T460 C463 K464 N467 M468 M474W409-W444 PolarHBondContact O-NE1 3.49Å; Y432-W444 AromaticContact CD1-CH2 3.53Å; Y432-W444 HydrophobicContact CD1-CH2 3.53Å; Y432-W444 AromaticContact CD1-CZ2 3.58Å; Y432-W444 HydrophobicContact CD1-CZ2 3.58Å; Y432-W444 HydrophobicContact CD2-CZ2 4.11Å; Y432-W444 AromaticContact CE1-CH2 3.55Å; Y432-W444 HydrophobicContact CE1-CH2 3.55Å; Y432-W444 AromaticContact CE1-CZ2 3.86Å; Y432-W444 HydrophobicContact CE1-CZ2 3.86Å; Y432-W444 HydrophobicContact CE2-CZ2 4.37Å; Y432-W444 HydrophobicContact CG-CH2 4.18Å; Y432-W444 AromaticContact CG-CZ2 3.72Å; Y432-W444 HydrophobicContact CG-CZ2 3.72Å; L442-W444 HydrophobicContact CB-CD2 4.09Å; L442-W444 HydrophobicContact CB-CH2 4.34Å; L442-W444 HydrophobicContact CB-CZ2 3.81Å; L442-W444 HydrophobicContact CD1-CZ2 3.68Å; L442-W444 HydrophobicContact CD2-CH2 4.07Å; L442-W444 HydrophobicContact CD2-CZ2 3.91Å; L442-W444 HydrophobicContact CG-CZ2 4Å; L442-W444 PolarHBondContact O-N 3.44Å; W444-H446 PolarHBondContact O-N 3.3Å; W444-L447 HydrophobicContact CB-CD1 3.83Å; W444-L447 HydrophobicContact CB-CG 4.34Å; W444-T460 HydrophobicContact CB-CG2 4.15Å; W444-T460 HydrophobicContact CG-CG2 4.22Å; W444-C463 HydrophobicContact CB-CB 4.1Å; W444-K464 HydrophobicContact CD2-CD 4.3Å; W444-K464 HydrophobicContact CD2-CG 3.43Å; W444-K464 VanDerWaalsContact CD2-CG 3.43Å; W444-K464 HydrophobicContact CE3-CB 4.29Å; W444-K464 HydrophobicContact CE3-CG 3.51Å; W444-K464 HydrophobicContact CG-CG 3.97Å; W444-K464 HydrophobicContact CH2-CG 3.94Å; W444-K464 HydrophobicContact CZ2-CD 4.37Å; W444-K464 HydrophobicContact CZ2-CG 3.86Å; W444-K464 HydrophobicContact CZ3-CB 4.34Å; W444-K464 HydrophobicContact CZ3-CG 3.78Å; W444-N467 HydrophobicContact CZ3-CB 4.15Å; W444-M468 HydrophobicContact CH2-CE 3.72Å; W444-M468 HydrophobicContact CZ3-CE 3.71Å; W444-M474 HydrophobicContact CZ3-SD 4.29Å
445M90.8Very high86.7Confident23 Ų2358.2 Ų58.211%0.11335%0.349CS..G310 helixtrans-70.5-19.5179.5-74.2178.455.400113.6W409 R436 D441 L442W409-M445 HydrophobicContact CB-CG 4.3Å; W409-M445 HydrophobicContact CD2-CE 4.08Å; W409-M445 HydrophobicContact CD2-CG 3.99Å; W409-M445 HydrophobicContact CD2-SD 4.45Å; W409-M445 HydrophobicContact CE3-CE 3.89Å; W409-M445 HydrophobicContact CE3-SD 4.49Å; W409-M445 HydrophobicContact CG-CG 3.85Å; W409-M445 HydrophobicContact CH2-CE 4Å; W409-M445 HydrophobicContact CZ2-CE 4.19Å; W409-M445 HydrophobicContact CZ3-CE 3.85Å; R436-M445 VanDerWaalsContact CZ-SD 3.58Å; R436-M445 PolarHBondContact NH1-SD 3.45Å; D441-M445 HydrophobicContact CB-SD 4.26Å; L442-M445 HydrophobicContact CB-CG 4.06Å; L442-M445 HydrophobicContact CB-SD 4.1Å; L442-M445 HydrophobicContact CD1-SD 4.49Å; L442-M445 HydrophobicContact CG-SD 4.43Å; L442-M445 PolarHBondContact N-SD 2.9Å; L442-M445 WeakPolarHBondContact O-CB 3.41Å; L442-M445 PolarHBondContact O-N 2.79Å
446H88.8Confident86.8Confident130 Ų13062 Ų6260%0.60237%0.366SS*.G310 helixtrans-115.123-175.6-56.5-60.3000111.9D441 W444D441-H446 WeakPolarHBondContact CB-NE2 3.38Å; D441-H446 IonicContact OD2-CE1 3.52Å; D441-H446 PolarHBondContact OD2-CE1 3.11Å; D441-H446 VanDerWaalsContact OD2-CE1 3.3Å; D441-H446 IonicContact OD2-NE2 2.69Å; D441-H446 PolarHBondContact OD2-NE2 2.89Å; W444-H446 PolarHBondContact O-N 3.3Å
447L89.6Confident87.1Confident64 Ų6461.6 Ų61.634%0.33537%0.366SS..PPolyproline II helixtrans-62.1143.7173.6-74.2170.5000110.1W444 C463W444-L447 HydrophobicContact CB-CD1 3.83Å; W444-L447 HydrophobicContact CB-CG 4.34Å; L447-C463 HydrophobicContact CD1-CB 3.9Å; L447-C463 HydrophobicContact CD2-CB 4.38Å
448P87.8Confident88Confident111 Ų11165.3 Ų65.372%0.72138%0.383SS*.PPolyproline II helixtrans-62.2151.9174.227.8-34.3000110.5A450P448-A450 PolarHBondContact O-N 3.31Å
449A82.5Confident88.7Confident100 Ų10066.1 Ų66.183%0.82639%0.393SS*.PPolyproline II helixtrans-57.3134173.400000110.5
450A85.8Confident89.5Confident40 Ų4063.8 Ų63.833%0.33138%0.382SS..PPolyproline II helixtrans-90.1172.7177.800000111.7P448 S452 D455 E456P448-A450 PolarHBondContact O-N 3.31Å; A450-S452 VanDerWaalsContact C-N 3.35Å; A450-D455 HydrophobicContact CB-CB 3.67Å; A450-E456 HydrophobicContact CB-CB 3.98Å
451A86.5Confident90.2Very high105 Ų10562.1 Ų62.187%0.86837%0.365SS*.SBendtrans-71.4-30-178.900000113
452S89.7Confident90.7Very high40 Ų4063.7 Ų63.728%0.2837%0.368SS..SBendtrans-137.9165.4174.968.30000110.7A450 E454 D455 E456A450-S452 VanDerWaalsContact C-N 3.35Å; S452-E454 VanDerWaalsContact C-N 3.3Å; S452-D455 WeakPolarHBondContact CB-OD2 3.43Å; S452-D455 PolarHBondContact N-OD2 3.09Å; S452-D455 PolarHBondContact O-N 2.9Å; S452-D455 WeakPolarHBondContact OG-CB 3.4Å; S452-D455 PolarHBondContact OG-N 2.99Å; S452-D455 VanDerWaalsContact OG-N 3.09Å; S452-D455 PolarHBondContact OG-OD2 3.2Å; S452-E456 PolarHBondContact O-N 3.36Å
453F86.4Confident91Very high104 Ų10464.6 Ų64.646%0.45637%0.374SS..Hα-helixtrans-64.4-38.9175.4-177.3-116.5000110.9V408 D455 E456 L457V408-F453 HydrophobicContact CG2-CE2 4.38Å; V408-F453 HydrophobicContact CG2-CZ 4.42Å; F453-D455 VanDerWaalsContact C-N 3.32Å; F453-D455 PolarHBondContact O-N 2.9Å; F453-E456 WeakPolarHBondContact O-CB 3.34Å; F453-E456 PolarHBondContact O-N 2.98Å; F453-E456 VanDerWaalsContact O-N 3.1Å; F453-L457 HydrophobicContact CD1-CD1 4.3Å; F453-L457 HydrophobicContact CD1-CG 4.43Å; F453-L457 HydrophobicContact CE1-CD1 3.92Å; F453-L457 HydrophobicContact CE1-CD2 4.13Å; F453-L457 HydrophobicContact CE1-CG 4.19Å; F453-L457 HydrophobicContact CE2-CD2 4.08Å; F453-L457 HydrophobicContact CZ-CD1 4.41Å; F453-L457 HydrophobicContact CZ-CD2 3.77Å; F453-L457 HydrophobicContact CZ-CG 4.31Å; F453-L457 WeakPolarHBondContact O-CG 3.2Å; F453-L457 PolarHBondContact O-N 2.96Å
454E89Confident91.2Very high131 Ų13162.1 Ų62.161%0.61236%0.358SS*.Hα-helixtrans-59.1-41.9174-69.772.8-164.400112.1S452 E456 L457 E458S452-E454 VanDerWaalsContact C-N 3.3Å; E454-E456 VanDerWaalsContact C-N 3.31Å; E454-E456 PolarHBondContact O-N 3.13Å; E454-L457 PolarHBondContact O-N 3.23Å; E454-E458 PolarHBondContact O-N 3.14Å
455D91.2Very high91.2Very high80 Ų8064.5 Ų64.543%0.42837%0.371SS..Hα-helixtrans-65.9-34.5174.7-63.9-43.2000111.8A450 S452 F453 A459A450-D455 HydrophobicContact CB-CB 3.67Å; S452-D455 WeakPolarHBondContact CB-OD2 3.43Å; S452-D455 PolarHBondContact N-OD2 3.09Å; S452-D455 PolarHBondContact O-N 2.9Å; S452-D455 WeakPolarHBondContact OG-CB 3.4Å; S452-D455 PolarHBondContact OG-N 2.99Å; S452-D455 VanDerWaalsContact OG-N 3.09Å; S452-D455 PolarHBondContact OG-OD2 3.2Å; F453-D455 VanDerWaalsContact C-N 3.32Å; F453-D455 PolarHBondContact O-N 2.9Å; D455-A459 WeakPolarHBondContact O-CB 3.33Å; D455-A459 PolarHBondContact O-N 3.45Å
456E92.3Very high91.4Very high80 Ų8068.1 Ų68.137%0.37439%0.387SS..Hα-helixtrans-65.4-42.2174.9-170.4-176.1157.600111.3A450 S452 F453 E454 T460A450-E456 HydrophobicContact CB-CB 3.98Å; S452-E456 PolarHBondContact O-N 3.36Å; F453-E456 WeakPolarHBondContact O-CB 3.34Å; F453-E456 PolarHBondContact O-N 2.98Å; F453-E456 VanDerWaalsContact O-N 3.1Å; E454-E456 VanDerWaalsContact C-N 3.31Å; E454-E456 PolarHBondContact O-N 3.13Å; E456-T460 VanDerWaalsContact O-CB 3.29Å; E456-T460 WeakPolarHBondContact O-CB 3.49Å; E456-T460 PolarHBondContact O-N 3.46Å; E456-T460 PolarHBondContact O-OG1 2.95Å
457L93.2Very high91.5Very high16 Ų1663.8 Ų63.88%0.08437%0.369CS..Hα-helixtrans-63.5-46.9175.9-59.5-173.9000111.2F404 V408 L416 F453 E454 T460 A461F404-L457 HydrophobicContact CB-CD1 4.25Å; F404-L457 HydrophobicContact CD1-CD1 4.23Å; F404-L457 HydrophobicContact CD1-CD2 4.05Å; F404-L457 HydrophobicContact CE1-CD2 4.29Å; F404-L457 HydrophobicContact CG-CD1 4.48Å; V408-L457 HydrophobicContact CG1-CD2 4.28Å; V408-L457 HydrophobicContact CG2-CD2 3.67Å; L416-L457 HydrophobicContact CB-CB 4.39Å; L416-L457 HydrophobicContact CD2-CB 4.46Å; L416-L457 HydrophobicContact CD2-CD2 3.76Å; F453-L457 HydrophobicContact CD1-CD1 4.3Å; F453-L457 HydrophobicContact CD1-CG 4.43Å; F453-L457 HydrophobicContact CE1-CD1 3.92Å; F453-L457 HydrophobicContact CE1-CD2 4.13Å; F453-L457 HydrophobicContact CE1-CG 4.19Å; F453-L457 HydrophobicContact CE2-CD2 4.08Å; F453-L457 HydrophobicContact CZ-CD1 4.41Å; F453-L457 HydrophobicContact CZ-CD2 3.77Å; F453-L457 HydrophobicContact CZ-CG 4.31Å; F453-L457 WeakPolarHBondContact O-CG 3.2Å; F453-L457 PolarHBondContact O-N 2.96Å; E454-L457 PolarHBondContact O-N 3.23Å; L457-T460 PolarHBondContact O-N 3.46Å; L457-A461 WeakPolarHBondContact O-CB 3.14Å; L457-A461 PolarHBondContact O-N 3.1Å
458E95Very high91.6Very high87 Ų8761.1 Ų61.141%0.40736%0.355SS..Hα-helixtrans-67.6-42179.7-178.354.5-148.800112R417 E454 T460 A461 K462R417-E458 WeakPolarHBondContact CG-OE2 3.31Å; R417-E458 IonicContact NE-OE1 3.75Å; R417-E458 IonicContact NE-OE2 3.83Å; R417-E458 PolarHBondContact NE-OE2 3.38Å; R417-E458 IonicContact NH2-OE1 3.19Å; E454-E458 PolarHBondContact O-N 3.14Å; E458-T460 VanDerWaalsContact C-N 3.31Å; E458-T460 PolarHBondContact O-N 3.36Å; E458-A461 PolarHBondContact O-N 3.13Å; E458-K462 WeakPolarHBondContact O-CB 3.44Å; E458-K462 PolarHBondContact O-N 3.19Å
459A95Very high91.7Very high47 Ų4762.4 Ų62.439%0.38836%0.355SS..Hα-helixtrans-60.5-42175.100000111.6D455 C463D455-A459 WeakPolarHBondContact O-CB 3.33Å; D455-A459 PolarHBondContact O-N 3.45Å; A459-C463 VanDerWaalsContact O-CB 3.3Å; A459-C463 WeakPolarHBondContact O-CB 3.26Å; A459-C463 PolarHBondContact O-N 3.3Å
460T95.6Very high91.9Very high4 Ų465.5 Ų65.53%0.02535%0.349CS..Hα-helixtrans-64.5-45.4175.2-59.40000111.3V408 L416 W444 E456 L457 E458 C463 K464V408-T460 HydrophobicContact CG1-CG2 3.87Å; L416-T460 HydrophobicContact CD1-CG2 3.63Å; W444-T460 HydrophobicContact CB-CG2 4.15Å; W444-T460 HydrophobicContact CG-CG2 4.22Å; E456-T460 VanDerWaalsContact O-CB 3.29Å; E456-T460 WeakPolarHBondContact O-CB 3.49Å; E456-T460 PolarHBondContact O-N 3.46Å; E456-T460 PolarHBondContact O-OG1 2.95Å; L457-T460 PolarHBondContact O-N 3.46Å; E458-T460 VanDerWaalsContact C-N 3.31Å; E458-T460 PolarHBondContact O-N 3.36Å; T460-C463 PolarHBondContact O-N 3.14Å; T460-K464 HydrophobicContact CG2-CD 4.21Å; T460-K464 WeakPolarHBondContact O-CG 3.27Å; T460-K464 PolarHBondContact O-N 3.27Å
461A96.1Very high92Very high0 Ų063.9 Ų63.90%034%0.336CS..Hα-helixtrans-61.5-46178.900000111.7S413 L416 R417 L457 E458 K464 D465S413-A461 PolarHBondContact OG-O 3.14Å; L416-A461 HydrophobicContact CB-CB 3.95Å; L416-A461 HydrophobicContact CD1-CB 4.04Å; R417-A461 HydrophobicContact CG-CB 4.22Å; L457-A461 WeakPolarHBondContact O-CB 3.14Å; L457-A461 PolarHBondContact O-N 3.1Å; E458-A461 PolarHBondContact O-N 3.13Å; A461-K464 WeakPolarHBondContact O-CB 3.41Å; A461-K464 PolarHBondContact O-N 2.74Å; A461-D465 VanDerWaalsContact O-CG 3.3Å; A461-D465 PolarHBondContact O-N 3.32Å
462K95.8Very high92.1Very high119 Ų11966.6 Ų66.652%0.51733%0.328SS..Hα-helixtrans-61.9-45.5176-175.7177.7176.5-1790112E458 K464 D465 E466E458-K462 WeakPolarHBondContact O-CB 3.44Å; E458-K462 PolarHBondContact O-N 3.19Å; K462-K464 VanDerWaalsContact C-N 3.3Å; K462-K464 PolarHBondContact O-N 3.14Å; K462-D465 PolarHBondContact O-N 3.11Å; K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 WeakPolarHBondContact O-CG 3.46Å; K462-E466 PolarHBondContact O-N 2.65Å
463C95.2Very high91.8Very high20 Ų2073.4 Ų73.414%0.13535%0.353CS..Hα-helixtrans-61-40177.4-172.40000111.8W444 L447 A459 T460 N467W444-C463 HydrophobicContact CB-CB 4.1Å; L447-C463 HydrophobicContact CD1-CB 3.9Å; L447-C463 HydrophobicContact CD2-CB 4.38Å; A459-C463 VanDerWaalsContact O-CB 3.3Å; A459-C463 WeakPolarHBondContact O-CB 3.26Å; A459-C463 PolarHBondContact O-N 3.3Å; T460-C463 PolarHBondContact O-N 3.14Å; C463-N467 WeakPolarHBondContact O-CB 3.34Å; C463-N467 PolarHBondContact O-N 3.2Å; C463-N467 PolarHBondContact O-ND2 3.26Å; C463-N467 PolarHBondContact SG-ND2 2.77Å; C463-N467 VanDerWaalsContact SG-ND2 3.43Å
464K95.4Very high91.8Very high0 Ų069.3 Ų69.30%034%0.335CS..Hα-helixtrans-60-52.1174-78.1171.6178.8174.60111.4V408 W409 A411 S413 L416 Y432 W444 T460 A461 K462 E466 N467 M468V408-K464 PolarHBondContact O-NZ 3.13Å; W409-K464 WeakPolarHBondContact O-CE 3.38Å; W409-K464 PolarHBondContact O-NZ 3.26Å; A411-K464 PolarHBondContact O-NZ 2.76Å; S413-K464 WeakPolarHBondContact OG-CB 3.35Å; L416-K464 HydrophobicContact CD1-CD 4.1Å; Y432-K464 HydrophobicContact CE2-CD 3.98Å; W444-K464 HydrophobicContact CD2-CD 4.3Å; W444-K464 HydrophobicContact CD2-CG 3.43Å; W444-K464 VanDerWaalsContact CD2-CG 3.43Å; W444-K464 HydrophobicContact CE3-CB 4.29Å; W444-K464 HydrophobicContact CE3-CG 3.51Å; W444-K464 HydrophobicContact CG-CG 3.97Å; W444-K464 HydrophobicContact CH2-CG 3.94Å; W444-K464 HydrophobicContact CZ2-CD 4.37Å; W444-K464 HydrophobicContact CZ2-CG 3.86Å; W444-K464 HydrophobicContact CZ3-CB 4.34Å; W444-K464 HydrophobicContact CZ3-CG 3.78Å; T460-K464 HydrophobicContact CG2-CD 4.21Å; T460-K464 WeakPolarHBondContact O-CG 3.27Å; T460-K464 PolarHBondContact O-N 3.27Å; A461-K464 WeakPolarHBondContact O-CB 3.41Å; A461-K464 PolarHBondContact O-N 2.74Å; K462-K464 VanDerWaalsContact C-N 3.3Å; K462-K464 PolarHBondContact O-N 3.14Å; K464-E466 PolarHBondContact O-N 3.37Å; K464-N467 PolarHBondContact O-N 2.69Å; K464-M468 WeakPolarHBondContact O-CG 3.22Å; K464-M468 PolarHBondContact O-N 2.99Å
465D94Very high91.9Very high54 Ų5463.9 Ų63.929%0.28931%0.31SS..Hα-helixtrans-60.4-45-178.2-65.4-16.8000111.7S413 R417 A461 K462 N467 M468 L469S413-D465 WeakPolarHBondContact CB-OD1 3.18Å; S413-D465 PolarHBondContact OG-OD1 3.38Å; R417-D465 IonicContact CZ-OD2 3.22Å; R417-D465 IonicContact NH1-OD2 3.55Å; R417-D465 PolarHBondContact NH1-OD2 2.78Å; R417-D465 IonicContact NH2-OD2 3.74Å; R417-D465 PolarHBondContact NH2-OD2 3.22Å; A461-D465 VanDerWaalsContact O-CG 3.3Å; A461-D465 PolarHBondContact O-N 3.32Å; K462-D465 PolarHBondContact O-N 3.11Å; D465-N467 PolarHBondContact O-N 3.29Å; D465-M468 PolarHBondContact O-N 3.07Å; D465-L469 WeakPolarHBondContact O-CB 3.37Å; D465-L469 WeakPolarHBondContact O-CD1 3.47Å; D465-L469 VanDerWaalsContact O-CG 3.25Å; D465-L469 WeakPolarHBondContact O-CG 3.49Å; D465-L469 PolarHBondContact O-N 3.35Å
466E93.6Very high91.7Very high98 Ų9864.4 Ų64.446%0.45832%0.32SS..Hα-helixtrans-61-43.1176.8-72.9177.3-178.100112.4K462 K464 K470K462-E466 WeakPolarHBondContact CE-OE1 3.37Å; K462-E466 WeakPolarHBondContact O-CG 3.46Å; K462-E466 PolarHBondContact O-N 2.65Å; K464-E466 PolarHBondContact O-N 3.37Å; E466-K470 WeakPolarHBondContact O-CB 3.35Å; E466-K470 PolarHBondContact O-N 3.43Å
467N92.8Very high91.3Very high39 Ų3964.5 Ų64.521%0.20933%0.33CS..Hα-helixtrans-71.7-32177.9-81-83.2000112.5P443 W444 C463 K464 D465 K470 C471 M474P443-N467 WeakPolarHBondContact CG-OD1 3.44Å; W444-N467 HydrophobicContact CZ3-CB 4.15Å; C463-N467 WeakPolarHBondContact O-CB 3.34Å; C463-N467 PolarHBondContact O-N 3.2Å; C463-N467 PolarHBondContact O-ND2 3.26Å; C463-N467 PolarHBondContact SG-ND2 2.77Å; C463-N467 VanDerWaalsContact SG-ND2 3.43Å; K464-N467 PolarHBondContact O-N 2.69Å; D465-N467 PolarHBondContact O-N 3.29Å; N467-K470 CarbonylContact O-C 3.26Å; N467-K470 VanDerWaalsContact O-C 3.26Å; N467-C471 WeakPolarHBondContact O-CA 3.24Å; N467-C471 WeakPolarHBondContact O-CB 3.25Å; N467-C471 PolarHBondContact O-N 3.04Å; N467-M474 HydrophobicContact CB-SD 4.29Å
468M91.4Very high91Very high8 Ų864.4 Ų64.44%0.03933%0.33CS..Hα-helixtrans-73.6-35.7175.4-69-44.799.700112.1W428 Y431 Y432 W444 K464 D465 C471 M474 L486W428-M468 HydrophobicContact CH2-CB 4.4Å; W428-M468 HydrophobicContact CH2-CG 4Å; W428-M468 HydrophobicContact CZ3-CG 3.67Å; W428-M468 HydrophobicContact CZ3-SD 3.9Å; Y431-M468 HydrophobicContact CD1-SD 4.42Å; Y431-M468 HydrophobicContact CE1-SD 3.94Å; Y432-M468 HydrophobicContact CE1-CE 4.01Å; Y432-M468 HydrophobicContact CE1-CG 4.22Å; Y432-M468 HydrophobicContact CE1-SD 3.81Å; W444-M468 HydrophobicContact CH2-CE 3.72Å; W444-M468 HydrophobicContact CZ3-CE 3.71Å; K464-M468 WeakPolarHBondContact O-CG 3.22Å; K464-M468 PolarHBondContact O-N 2.99Å; D465-M468 PolarHBondContact O-N 3.07Å; M468-C471 WeakPolarHBondContact O-CB 3.34Å; M468-M474 HydrophobicContact CE-CE 3.18Å; M468-M474 HydrophobicContact CE-SD 3.55Å; M468-M474 VanDerWaalsContact CE-SD 3.55Å; M468-M474 HydrophobicContact SD-CE 4.05Å; M468-L486 HydrophobicContact SD-CD1 4.21Å
469L88.4Confident90.8Very high138 Ų13861.8 Ų61.872%0.72332%0.321SS*.Hα-helixtrans-66.3-38.8171.7-73.8166.2000111.6D465D465-L469 WeakPolarHBondContact O-CB 3.37Å; D465-L469 WeakPolarHBondContact O-CD1 3.47Å; D465-L469 VanDerWaalsContact O-CG 3.25Å; D465-L469 WeakPolarHBondContact O-CG 3.49Å; D465-L469 PolarHBondContact O-N 3.35Å
470K87.5Confident90.6Very high165 Ų16563.8 Ų63.872%0.71733%0.33SS*.THydrogen-bonded Turntrans-107.941.7179.7-61.5178.1-175.9171.70112.3E466 N467 K472E466-K470 WeakPolarHBondContact O-CB 3.35Å; E466-K470 PolarHBondContact O-N 3.43Å; N467-K470 CarbonylContact O-C 3.26Å; N467-K470 VanDerWaalsContact O-C 3.26Å; K470-K472 VanDerWaalsContact C-N 3.26Å; K470-K472 PolarHBondContact O-N 2.81Å; K470-K472 VanDerWaalsContact O-N 3.13Å
471C88.7Confident90.4Very high7 Ų763.8 Ų63.85%0.04733%0.329CS..Hα-helixtrans-64.9-21.1-168.362.80000115.1N467 M468 K473 M474 L475 L486N467-C471 WeakPolarHBondContact O-CA 3.24Å; N467-C471 WeakPolarHBondContact O-CB 3.25Å; N467-C471 PolarHBondContact O-N 3.04Å; M468-C471 WeakPolarHBondContact O-CB 3.34Å; C471-K473 VanDerWaalsContact C-N 3.26Å; C471-K473 PolarHBondContact O-N 3.41Å; C471-K473 VanDerWaalsContact O-N 3.14Å; C471-M474 WeakPolarHBondContact O-CB 3.32Å; C471-M474 PolarHBondContact O-N 3.08Å; C471-L475 HydrophobicContact CB-CD1 3.8Å; C471-L475 HydrophobicContact CB-CG 4.14Å; C471-L475 WeakPolarHBondContact O-CB 3.43Å; C471-L475 WeakPolarHBondContact O-CG 3.46Å; C471-L475 PolarHBondContact O-N 3.16Å; C471-L486 HydrophobicContact CB-CD2 3.9Å
472K87Confident90.3Very high162 Ų16264.1 Ų64.170%0.70433%0.331SS*.Hα-helixtrans-50.8-42.1-177.6-70.4-172.8176.9-177.80113.8K470 S476K470-K472 VanDerWaalsContact C-N 3.26Å; K470-K472 PolarHBondContact O-N 2.81Å; K470-K472 VanDerWaalsContact O-N 3.13Å; K472-S476 PolarHBondContact O-N 3.17Å
473K84.9Confident90.1Very high183 Ų18362.4 Ų62.480%0.79633%0.325SS*.Hα-helixtrans-69.2-46178.9-177-179.8178.1-176.90110.9C471 S476C471-K473 VanDerWaalsContact C-N 3.26Å; C471-K473 PolarHBondContact O-N 3.41Å; C471-K473 VanDerWaalsContact O-N 3.14Å; K473-S476 WeakPolarHBondContact O-CB 3.43Å; K473-S476 PolarHBondContact O-N 3.05Å; K473-S476 PolarHBondContact O-OG 3.41Å
474M86.8Confident90Very high17 Ų1765.4 Ų65.48%0.08434%0.337CS..Hα-helixtrans-61.2-51.7-179.7-171.9-174.868.300110V435 Q439 P443 W444 N467 M468 C471 S476V435-M474 HydrophobicContact CG1-CE 4.12Å; V435-M474 HydrophobicContact CG1-SD 4.36Å; Q439-M474 VanDerWaalsContact NE2-CG 3.3Å; Q439-M474 PolarHBondContact OE1-O 2.84Å; P443-M474 HydrophobicContact CG-CG 4.17Å; P443-M474 HydrophobicContact CG-SD 4.08Å; W444-M474 HydrophobicContact CZ3-SD 4.29Å; N467-M474 HydrophobicContact CB-SD 4.29Å; M468-M474 HydrophobicContact CE-CE 3.18Å; M468-M474 HydrophobicContact CE-SD 3.55Å; M468-M474 VanDerWaalsContact CE-SD 3.55Å; M468-M474 HydrophobicContact SD-CE 4.05Å; C471-M474 WeakPolarHBondContact O-CB 3.32Å; C471-M474 PolarHBondContact O-N 3.08Å; M474-S476 PolarHBondContact O-N 3.44Å; M474-S476 VanDerWaalsContact O-N 3.16Å
475L90.2Very high89.9Confident17 Ų1765.4 Ų65.49%0.08934%0.337CS..G310 helixtrans-79.49-176.6-56.6178.3000114.5Y431 V435 C471 S477 C478 Y482Y431-L475 VanDerWaalsContact OH-CD1 3.28Å; Y431-L475 WeakPolarHBondContact OH-CD1 2.99Å; Y431-L475 WeakPolarHBondContact OH-CD2 3.38Å; V435-L475 HydrophobicContact CG1-CD2 4.23Å; V435-L475 HydrophobicContact CG2-CD2 3.73Å; C471-L475 HydrophobicContact CB-CD1 3.8Å; C471-L475 HydrophobicContact CB-CG 4.14Å; C471-L475 WeakPolarHBondContact O-CB 3.43Å; C471-L475 WeakPolarHBondContact O-CG 3.46Å; C471-L475 PolarHBondContact O-N 3.16Å; L475-S477 PolarHBondContact O-N 3.28Å; L475-S477 VanDerWaalsContact O-N 3.08Å; L475-C478 HydrophobicContact CB-CB 4.31Å; L475-C478 HydrophobicContact CD2-CB 4.43Å; L475-C478 WeakPolarHBondContact O-CB 3.34Å; L475-C478 PolarHBondContact O-N 3.2Å; L475-Y482 HydrophobicContact CD2-CD2 4.44Å
476S86.8Confident89.8Confident91 Ų9162.9 Ų62.964%0.63632%0.323SS*.G310 helixtrans-60.1-23.9-174.156.80000114.4K472 K473 M474K472-S476 PolarHBondContact O-N 3.17Å; K473-S476 WeakPolarHBondContact O-CB 3.43Å; K473-S476 PolarHBondContact O-N 3.05Å; K473-S476 PolarHBondContact O-OG 3.41Å; M474-S476 PolarHBondContact O-N 3.44Å; M474-S476 VanDerWaalsContact O-N 3.16Å
477S84.1Confident89.8Confident82 Ų8262.4 Ų62.457%0.57332%0.321SS*.G310 helixtrans-102.82176.1-59.40000113.8L475L475-S477 PolarHBondContact O-N 3.28Å; L475-S477 VanDerWaalsContact O-N 3.08Å
478C87.2Confident89.8Confident15 Ų1561.9 Ų61.910%0.10132%0.319CS..SBendtrans-95.5157.6179.2-65.40000110.9T438 Q439 L475 Y482T438-C478 HydrophobicContact CG2-CB 4.25Å; Q439-C478 PolarHBondContact OE1-SG 2.95Å; Q439-C478 VanDerWaalsContact OE1-SG 3.42Å; L475-C478 HydrophobicContact CB-CB 4.31Å; L475-C478 HydrophobicContact CD2-CB 4.43Å; L475-C478 WeakPolarHBondContact O-CB 3.34Å; L475-C478 PolarHBondContact O-N 3.2Å; C478-Y482 HydrophobicContact CB-CD2 3.42Å; C478-Y482 VanDerWaalsContact CB-CD2 3.42Å; C478-Y482 HydrophobicContact CB-CE2 3.82Å; C478-Y482 HydrophobicContact CB-CG 3.89Å
479P89.5Confident89.8Confident31 Ų3161.5 Ų61.520%0.20132%0.317CS..  trans-54.7142.4168.9-23.933.5000111.6E481 Y482 I510P479-E481 PolarHBondContact O-N 3.32Å; P479-E481 VanDerWaalsContact O-N 3.13Å; P479-Y482 HydrophobicContact CB-CD1 4.26Å; P479-Y482 HydrophobicContact CB-CE1 4.39Å; P479-Y482 HydrophobicContact CG-CD1 4.29Å; P479-Y482 HydrophobicContact CG-CE1 3.97Å; P479-Y482 WeakPolarHBondContact O-CB 3.42Å; P479-Y482 PolarHBondContact O-N 3.34Å; P479-I510 HydrophobicContact CB-CD1 4.03Å; P479-I510 HydrophobicContact CB-CG1 3.78Å; P479-I510 HydrophobicContact CB-CG2 4.18Å; P479-I510 HydrophobicContact CG-CD1 4.29Å; P479-I510 HydrophobicContact CG-CG1 4.22Å; P479-I510 HydrophobicContact CG-CG2 3.78Å
480P91.3Very high90Very high90 Ų9059.3 Ų59.358%0.58430%0.299SS*.THydrogen-bonded Turntrans-59.2-27.6-179.123.1-32.3000112.8Y482 Q483P480-Y482 PolarHBondContact O-N 3.36Å; P480-Y482 VanDerWaalsContact O-N 3.13Å; P480-Q483 WeakPolarHBondContact O-CB 3.45Å; P480-Q483 PolarHBondContact O-N 3.21Å
481E92.4Very high90.3Very high3 Ų355 Ų551%0.01429%0.288CS..Hα-helixtrans-58-21.2173.2-71.476.4-169.200113.4P479 Q483 E484 I485 L506 K509 I510 K513P479-E481 PolarHBondContact O-N 3.32Å; P479-E481 VanDerWaalsContact O-N 3.13Å; E481-Q483 PolarHBondContact O-N 2.8Å; E481-E484 WeakPolarHBondContact O-CB 3.41Å; E481-E484 PolarHBondContact O-N 2.88Å; E481-E484 VanDerWaalsContact O-N 3.11Å; E481-I485 WeakPolarHBondContact O-CG1 3.46Å; E481-I485 PolarHBondContact O-N 3.23Å; E481-L506 HydrophobicContact CB-CB 4.38Å; E481-L506 HydrophobicContact CB-CD2 4.22Å; E481-L506 HydrophobicContact CG-CD2 4.01Å; E481-K509 HydrophobicContact CG-CD 3.88Å; E481-K509 HydrophobicContact CG-CG 4.36Å; E481-K509 WeakPolarHBondContact OE1-CD 3.44Å; E481-K509 WeakPolarHBondContact OE1-CE 3.48Å; E481-K509 IonicContact OE1-NZ 3.2Å; E481-K509 PolarHBondContact OE1-NZ 3.37Å; E481-I510 HydrophobicContact CB-CD1 3.68Å; E481-I510 HydrophobicContact CB-CG1 3.69Å; E481-I510 HydrophobicContact CG-CD1 4.41Å; E481-I510 HydrophobicContact CG-CG1 3.91Å; E481-K513 IonicContact OE1-NZ 3.51Å; E481-K513 PolarHBondContact OE1-NZ 3.41Å; E481-K513 IonicContact OE2-NZ 3.78Å
482Y92.7Very high90.5Very high8 Ų855.3 Ų55.33%0.03129%0.289CS..Hα-helixtrans-64.1-33.1174.9-80.327.5000111.5Y431 L434 V435 T438 L475 C478 P479 P480 I485 L486 I510Y431-Y482 PolarHBondContact OH-O 3.36Å; L434-Y482 HydrophobicContact CD1-CE1 4.2Å; L434-Y482 HydrophobicContact CD1-CE2 4.19Å; L434-Y482 WeakPolarHBondContact CD1-OH 3.4Å; L434-Y482 HydrophobicContact CD2-CD1 4.39Å; L434-Y482 HydrophobicContact CD2-CE1 4.02Å; L434-Y482 HydrophobicContact CD2-CE2 4.19Å; L434-Y482 HydrophobicContact CG-CD2 4.39Å; L434-Y482 HydrophobicContact CG-CE1 4.16Å; L434-Y482 HydrophobicContact CG-CE2 3.7Å; V435-Y482 HydrophobicContact CG2-CD2 4.21Å; T438-Y482 HydrophobicContact CG2-CE2 4.14Å; T438-Y482 WeakPolarHBondContact OG1-CE2 3.33Å; T438-Y482 PolarHBondContact OG1-OH 3.1Å; L475-Y482 HydrophobicContact CD2-CD2 4.44Å; C478-Y482 HydrophobicContact CB-CD2 3.42Å; C478-Y482 VanDerWaalsContact CB-CD2 3.42Å; C478-Y482 HydrophobicContact CB-CE2 3.82Å; C478-Y482 HydrophobicContact CB-CG 3.89Å; P479-Y482 HydrophobicContact CB-CD1 4.26Å; P479-Y482 HydrophobicContact CB-CE1 4.39Å; P479-Y482 HydrophobicContact CG-CD1 4.29Å; P479-Y482 HydrophobicContact CG-CE1 3.97Å; P479-Y482 WeakPolarHBondContact O-CB 3.42Å; P479-Y482 PolarHBondContact O-N 3.34Å; P480-Y482 PolarHBondContact O-N 3.36Å; P480-Y482 VanDerWaalsContact O-N 3.13Å; Y482-I485 HydrophobicContact CD1-CD1 4.33Å; Y482-I485 PolarHBondContact O-N 2.78Å; Y482-L486 WeakPolarHBondContact O-CB 3.43Å; Y482-L486 PolarHBondContact O-N 3.14Å; Y482-I510 HydrophobicContact CD1-CD1 3.9Å; Y482-I510 HydrophobicContact CE1-CD1 3.73Å
483Q93Very high90.7Very high82 Ų8250.8 Ų50.838%0.38328%0.275SS..Hα-helixtrans-67.2-40.9172.9-170.8176.7-23.200110.5P480 E481 I485 L486 E487P480-Q483 WeakPolarHBondContact O-CB 3.45Å; P480-Q483 PolarHBondContact O-N 3.21Å; E481-Q483 PolarHBondContact O-N 2.8Å; Q483-I485 PolarHBondContact O-N 3.05Å; Q483-L486 WeakPolarHBondContact O-CB 3.28Å; Q483-L486 PolarHBondContact O-N 2.92Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.4Å
484E93.1Very high90.8Very high84 Ų8443.1 Ų43.139%0.39324%0.242SC..Hα-helixtrans-61.5-43.1174.8-58.3-179.4-11600111.1E481 L486 E487 V488 L506 K509E481-E484 WeakPolarHBondContact O-CB 3.41Å; E481-E484 PolarHBondContact O-N 2.88Å; E481-E484 VanDerWaalsContact O-N 3.11Å; E484-L486 VanDerWaalsContact C-N 3.31Å; E484-L486 PolarHBondContact O-N 2.53Å; E484-E487 PolarHBondContact O-N 3.45Å; E484-E487 VanDerWaalsContact O-N 3.17Å; E484-V488 PolarHBondContact O-N 3.21Å; E484-L506 HydrophobicContact CB-CD1 3.69Å; E484-L506 HydrophobicContact CB-CD2 3.77Å; E484-L506 HydrophobicContact CB-CG 4.4Å; E484-L506 HydrophobicContact CG-CD2 4.29Å; E484-L506 WeakPolarHBondContact OE2-CD2 3.39Å; E484-K509 IonicContact OE1-NZ 2.78Å; E484-K509 PolarHBondContact OE1-NZ 2.98Å
485I92Very high90.8Very high0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-60.1-41.9174.4-67.9169.1000110.9W430 Y431 L434 E481 Y482 Q483 E487 V488 I489 I503 L506 L507W430-I485 HydrophobicContact CH2-CD1 4.42Å; W430-I485 HydrophobicContact CH2-CG2 3.95Å; W430-I485 HydrophobicContact CZ3-CG2 3.64Å; Y431-I485 HydrophobicContact CD2-CG2 3.88Å; Y431-I485 HydrophobicContact CE2-CB 4.46Å; Y431-I485 HydrophobicContact CE2-CG2 4.08Å; L434-I485 HydrophobicContact CD2-CD1 4.3Å; E481-I485 WeakPolarHBondContact O-CG1 3.46Å; E481-I485 PolarHBondContact O-N 3.23Å; Y482-I485 HydrophobicContact CD1-CD1 4.33Å; Y482-I485 PolarHBondContact O-N 2.78Å; Q483-I485 PolarHBondContact O-N 3.05Å; I485-E487 VanDerWaalsContact C-N 3.3Å; I485-E487 PolarHBondContact O-N 3.32Å; I485-V488 WeakPolarHBondContact O-CB 3.08Å; I485-V488 PolarHBondContact O-N 3.34Å; I485-V488 VanDerWaalsContact O-N 3.11Å; I485-I489 HydrophobicContact CG2-CD1 3.95Å; I485-I489 PolarHBondContact O-N 2.98Å; I485-I489 VanDerWaalsContact O-N 3.08Å; I485-I503 HydrophobicContact CD1-CG2 4.42Å; I485-I503 HydrophobicContact CG1-CG2 4.33Å; I485-I503 HydrophobicContact CG2-CG1 4.46Å; I485-I503 HydrophobicContact CG2-CG2 4.35Å; I485-L506 HydrophobicContact CB-CD1 4.49Å; I485-L506 HydrophobicContact CD1-CB 4.24Å; I485-L506 HydrophobicContact CG1-CB 3.91Å; I485-L506 HydrophobicContact CG1-CD1 3.64Å; I485-L506 HydrophobicContact CG1-CG 4.42Å; I485-L507 HydrophobicContact CD1-CD2 3.65Å; I485-L507 HydrophobicContact CD1-CG 4.33Å
486L93.1Very high90.7Very high0 Ų051.2 Ų51.20%028%0.275CS..Hα-helixtrans-62.4-37.8177.1-177.162.1000111.9W428 Y431 M468 C471 Y482 Q483 E484 V488 I489 R490W428-L486 HydrophobicContact CH2-CD1 3.56Å; W428-L486 HydrophobicContact CZ3-CD1 3.52Å; Y431-L486 HydrophobicContact CD1-CD1 4.29Å; Y431-L486 HydrophobicContact CE1-CD1 3.82Å; Y431-L486 HydrophobicContact CE2-CB 4.19Å; M468-L486 HydrophobicContact SD-CD1 4.21Å; C471-L486 HydrophobicContact CB-CD2 3.9Å; Y482-L486 WeakPolarHBondContact O-CB 3.43Å; Y482-L486 PolarHBondContact O-N 3.14Å; Q483-L486 WeakPolarHBondContact O-CB 3.28Å; Q483-L486 PolarHBondContact O-N 2.92Å; E484-L486 VanDerWaalsContact C-N 3.31Å; E484-L486 PolarHBondContact O-N 2.53Å; L486-V488 VanDerWaalsContact C-N 3.25Å; L486-V488 PolarHBondContact O-N 2.64Å; L486-I489 PolarHBondContact O-N 2.76Å; L486-R490 VanDerWaalsContact CD2-NH2 3.31Å; L486-R490 VanDerWaalsContact O-CB 3.28Å; L486-R490 WeakPolarHBondContact O-CB 3.49Å; L486-R490 PolarHBondContact O-N 2.71Å
487E92.6Very high90.7Very high89 Ų8949.8 Ų49.842%0.41627%0.269SS..Hα-helixtrans-65.8-27174.7-61.6-49.9137.800112.6Q483 E484 I485 R490 P491Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.4Å; E484-E487 PolarHBondContact O-N 3.45Å; E484-E487 VanDerWaalsContact O-N 3.17Å; I485-E487 VanDerWaalsContact C-N 3.3Å; I485-E487 PolarHBondContact O-N 3.32Å; E487-R490 IonicContact OE1-CZ 3.19Å; E487-R490 IonicContact OE1-NH1 2.73Å; E487-R490 PolarHBondContact OE1-NH1 3.03Å; E487-R490 IonicContact OE1-NH2 2.75Å; E487-R490 PolarHBondContact OE1-NH2 3.23Å; E487-R490 IonicContact OE2-CZ 3.17Å; E487-R490 IonicContact OE2-NH1 2.76Å; E487-R490 PolarHBondContact OE2-NH1 3.11Å; E487-R490 IonicContact OE2-NH2 2.78Å; E487-P491 WeakPolarHBondContact O-CD 3.28Å
488V92.4Very high90.8Very high27 Ų2746.2 Ų46.216%0.16424%0.244CC..Hα-helixtrans-73.9-38.3171.7179.80000111.7E484 I485 L486 E499 I503E484-V488 PolarHBondContact O-N 3.21Å; I485-V488 WeakPolarHBondContact O-CB 3.08Å; I485-V488 PolarHBondContact O-N 3.34Å; I485-V488 VanDerWaalsContact O-N 3.11Å; L486-V488 VanDerWaalsContact C-N 3.25Å; L486-V488 PolarHBondContact O-N 2.64Å; V488-E499 HydrophobicContact CG1-CB 4.11Å; V488-I503 HydrophobicContact CB-CG1 4.36Å; V488-I503 HydrophobicContact CG1-CD1 4.17Å; V488-I503 HydrophobicContact CG1-CG1 4Å
489I92.7Very high90.9Very high0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-80.6-40.3-175.7-66.6174.9000112.3M427 W428 W430 Y431 I485 L486 P491 L492 I503M427-I489 HydrophobicContact CB-CD1 4.3Å; M427-I489 HydrophobicContact CB-CG1 4.26Å; M427-I489 HydrophobicContact CB-CG2 4.18Å; M427-I489 HydrophobicContact CE-CD1 4.36Å; M427-I489 HydrophobicContact CE-CG1 4.42Å; W428-I489 HydrophobicContact CD2-CG2 3.86Å; W428-I489 HydrophobicContact CE3-CG2 4.19Å; W428-I489 HydrophobicContact CG-CG2 4.25Å; W428-I489 HydrophobicContact CH2-CG2 4.45Å; W428-I489 HydrophobicContact CZ2-CG2 4.13Å; W428-I489 HydrophobicContact CZ3-CG2 4.47Å; W430-I489 HydrophobicContact CE3-CD1 4.04Å; W430-I489 HydrophobicContact CZ3-CD1 3.91Å; Y431-I489 HydrophobicContact CD2-CD1 4.03Å; Y431-I489 HydrophobicContact CG-CD1 4.11Å; I485-I489 HydrophobicContact CG2-CD1 3.95Å; I485-I489 PolarHBondContact O-N 2.98Å; I485-I489 VanDerWaalsContact O-N 3.08Å; L486-I489 PolarHBondContact O-N 2.76Å; I489-P491 VanDerWaalsContact C-CD 3.46Å; I489-L492 HydrophobicContact CG2-CD1 4.49Å; I489-L492 VanDerWaalsContact O-CB 3.29Å; I489-L492 WeakPolarHBondContact O-CB 3.35Å; I489-L492 VanDerWaalsContact O-CG 3.3Å; I489-L492 WeakPolarHBondContact O-CG 3.29Å; I489-L492 PolarHBondContact O-N 3.15Å; I489-L492 VanDerWaalsContact O-N 3.1Å; I489-I503 HydrophobicContact CG1-CD1 4.35Å
490R92.6Very high90.6Very high92 Ų9251.1 Ų51.135%0.34726%0.262SS..THydrogen-bonded Turntrans-54-42.6-173.3-167.4-176.2-59.2136.17.3115.1L486 E487 L492L486-R490 VanDerWaalsContact CD2-NH2 3.31Å; L486-R490 VanDerWaalsContact O-CB 3.28Å; L486-R490 WeakPolarHBondContact O-CB 3.49Å; L486-R490 PolarHBondContact O-N 2.71Å; E487-R490 IonicContact OE1-CZ 3.19Å; E487-R490 IonicContact OE1-NH1 2.73Å; E487-R490 PolarHBondContact OE1-NH1 3.03Å; E487-R490 IonicContact OE1-NH2 2.75Å; E487-R490 PolarHBondContact OE1-NH2 3.23Å; E487-R490 IonicContact OE2-CZ 3.17Å; E487-R490 IonicContact OE2-NH1 2.76Å; E487-R490 PolarHBondContact OE2-NH1 3.11Å; E487-R490 IonicContact OE2-NH2 2.78Å; R490-L492 PolarHBondContact O-N 3.2Å
491P93.6Very high90.3Very high75 Ų7551.9 Ų51.949%0.48726%0.261SS..THydrogen-bonded Turntrans-77.4-6.3-178.230.9-36.3000113.8E487 I489 T493 M496E487-P491 WeakPolarHBondContact O-CD 3.28Å; I489-P491 VanDerWaalsContact C-CD 3.46Å; P491-T493 PolarHBondContact O-N 3.45Å; P491-M496 VanDerWaalsContact O-SD 3.34Å
492L92.3Very high90.1Very high13 Ų1353.4 Ų53.47%0.06827%0.272CS..  trans-63121.9-176.9-64.8175.5000111.5R424 M427 I489 R490 M496 P498R424-L492 HydrophobicContact CB-CB 3.64Å; R424-L492 HydrophobicContact CB-CD1 4.44Å; R424-L492 WeakPolarHBondContact CD-O 3.46Å; M427-L492 HydrophobicContact CB-CD1 4.2Å; M427-L492 HydrophobicContact CG-CD1 4Å; I489-L492 HydrophobicContact CG2-CD1 4.49Å; I489-L492 VanDerWaalsContact O-CB 3.29Å; I489-L492 WeakPolarHBondContact O-CB 3.35Å; I489-L492 VanDerWaalsContact O-CG 3.3Å; I489-L492 WeakPolarHBondContact O-CG 3.29Å; I489-L492 PolarHBondContact O-N 3.15Å; I489-L492 VanDerWaalsContact O-N 3.1Å; R490-L492 PolarHBondContact O-N 3.2Å; L492-M496 HydrophobicContact CD2-CB 4.06Å; L492-M496 HydrophobicContact CD2-CE 4.29Å; L492-P498 HydrophobicContact CD1-CB 4.06Å; L492-P498 HydrophobicContact CD1-CG 4.05Å
493T91.1Very high89.9Confident67 Ų6753 Ų5341%0.41127%0.27SS..  trans-98.8173.4171.769.60000111P491 Y495 M496P491-T493 PolarHBondContact O-N 3.45Å; T493-Y495 PolarHBondContact O-N 2.96Å; T493-Y495 VanDerWaalsContact O-N 3.14Å; T493-M496 HydrophobicContact CG2-SD 3.8Å; T493-M496 PolarHBondContact N-SD 3.42Å; T493-M496 VanDerWaalsContact N-SD 3.36Å; T493-M496 PolarHBondContact O-N 3.45Å; T493-M496 VanDerWaalsContact O-N 3.13Å; T493-M496 VanDerWaalsContact OG1-CG 3.29Å; T493-M496 WeakPolarHBondContact OG1-CG 3.4Å; T493-M496 PolarHBondContact OG1-SD 3.4Å; T493-M496 VanDerWaalsContact OG1-SD 3.34Å
494Y87.8Confident89.4Confident23 Ų2350.8 Ų50.89%0.0926%0.258CS..THydrogen-bonded Turntrans-51.1-38.2-178.4177.6-97.3000113.9H395 H396 P398 E420 S422H395-Y494 AromaticContact CE1-CD1 3.84Å; H395-Y494 AromaticContact CE1-CE1 3.22Å; H395-Y494 WeakPolarHBondContact CE1-CE1 3.34Å; H395-Y494 AromaticContact CE1-CZ 3.43Å; H395-Y494 VanDerWaalsContact CE1-CZ 3.43Å; H395-Y494 AromaticContact ND1-CE1 3.37Å; H395-Y494 WeakPolarHBondContact ND1-CE1 3.42Å; H395-Y494 AromaticContact ND1-CZ 3.8Å; H395-Y494 PolarHBondContact NE2-O 3.45Å; H396-Y494 WeakPolarHBondContact O-CE1 3.29Å; H396-Y494 PolarHBondContact O-OH 3.36Å; P398-Y494 HydrophobicContact CB-CD1 4.21Å; P398-Y494 HydrophobicContact CB-CD2 4.24Å; P398-Y494 HydrophobicContact CB-CE1 3.89Å; P398-Y494 HydrophobicContact CB-CE2 3.97Å; P398-Y494 HydrophobicContact CB-CG 4.37Å; P398-Y494 HydrophobicContact CG-CD1 4.14Å; P398-Y494 HydrophobicContact CG-CE1 4.01Å; E420-Y494 HydrophobicContact CB-CD2 4.23Å; E420-Y494 HydrophobicContact CB-CE2 3.64Å; E420-Y494 HydrophobicContact CG-CD2 4.45Å; E420-Y494 HydrophobicContact CG-CE2 3.43Å; E420-Y494 VanDerWaalsContact CG-CE2 3.43Å; S422-Y494 WeakPolarHBondContact CB-O 3.3Å
495Y86Confident89.2Confident126 Ų12653.3 Ų53.349%0.49427%0.27SS..THydrogen-bonded Turntrans-90.9-14.9-176.7-61.6-71.3000114.2H395 P398 R423 T493H395-Y495 HydrophobicContact CB-CD1 4.03Å; H395-Y495 HydrophobicContact CB-CE1 4.27Å; H395-Y495 AromaticContact CG-CD1 3.71Å; H395-Y495 AromaticContact ND1-CD1 3.88Å; H395-Y495 AromaticContact ND1-CE1 4Å; P398-Y495 WeakPolarHBondContact CD-OH 3.34Å; R423-Y495 PolarHBondContact NH2-O 3.28Å; T493-Y495 PolarHBondContact O-N 2.96Å; T493-Y495 VanDerWaalsContact O-N 3.14Å
496M88.6Confident89.1Confident78 Ų7854.2 Ų54.238%0.38428%0.275SS..PPolyproline II helixtrans-72.6146.8-173.1-74.1168.873.600112R423 P491 L492 T493R423-M496 PolarHBondContact NE-O 3.16Å; R423-M496 PolarHBondContact NH2-O 2.7Å; P491-M496 VanDerWaalsContact O-SD 3.34Å; L492-M496 HydrophobicContact CD2-CB 4.06Å; L492-M496 HydrophobicContact CD2-CE 4.29Å; T493-M496 HydrophobicContact CG2-SD 3.8Å; T493-M496 PolarHBondContact N-SD 3.42Å; T493-M496 VanDerWaalsContact N-SD 3.36Å; T493-M496 PolarHBondContact O-N 3.45Å; T493-M496 VanDerWaalsContact O-N 3.13Å; T493-M496 VanDerWaalsContact OG1-CG 3.29Å; T493-M496 WeakPolarHBondContact OG1-CG 3.4Å; T493-M496 PolarHBondContact OG1-SD 3.4Å; T493-M496 VanDerWaalsContact OG1-SD 3.34Å
497A85.9Confident88.7Confident60 Ų6054.8 Ų54.850%0.49628%0.278SS..PPolyproline II helixtrans-89.6132.6167.200000108.9
498P86.9Confident88.1Confident8 Ų855.2 Ų55.25%0.05228%0.283CS..PPolyproline II helixtrans-62.1141.4172.2-21.131.1000112.7R423 M427 L492 Y500R423-P498 HydrophobicContact CB-CG 4.07Å; M427-P498 HydrophobicContact CE-CB 4.33Å; M427-P498 HydrophobicContact CG-CB 3.8Å; M427-P498 HydrophobicContact CG-CG 3.49Å; M427-P498 VanDerWaalsContact CG-CG 3.49Å; M427-P498 HydrophobicContact SD-CB 3.96Å; M427-P498 HydrophobicContact SD-CG 3.97Å; L492-P498 HydrophobicContact CD1-CB 4.06Å; L492-P498 HydrophobicContact CD1-CG 4.05Å; P498-Y500 HydrophobicContact CB-CD1 4.28Å; P498-Y500 HydrophobicContact CB-CE1 3.79Å; P498-Y500 HydrophobicContact CB-CE2 4.24Å; P498-Y500 WeakPolarHBondContact CD-OH 3.29Å; P498-Y500 HydrophobicContact CG-CE1 4.09Å; P498-Y500 WeakPolarHBondContact CG-OH 3.38Å; P498-Y500 VanDerWaalsContact O-CD2 3.28Å; P498-Y500 WeakPolarHBondContact O-CD2 3.48Å; P498-Y500 VanDerWaalsContact O-CE2 3.31Å; P498-Y500 WeakPolarHBondContact O-CE2 3.25Å; P498-Y500 PolarHBondContact O-N 3.31Å; P498-Y500 VanDerWaalsContact O-N 3.1Å
499E88.4Confident87.9Confident124 Ų12458.2 Ų58.258%0.57929%0.294SS*.  trans-81.477.9171.8-65.1-172.3-178.900111V488 N501 S502 I503V488-E499 HydrophobicContact CG1-CB 4.11Å; E499-N501 VanDerWaalsContact C-N 3.3Å; E499-N501 PolarHBondContact O-N 3.44Å; E499-S502 PolarHBondContact O-N 2.72Å; E499-S502 PolarHBondContact OE2-OG 2.76Å; E499-I503 PolarHBondContact O-N 3.14Å
500Y84.5Confident87.6Confident25 Ų2558.8 Ų58.810%0.09830%0.297CS..Hα-helixtrans-60.3-37.3-175.8-52.2-80.4000113.5E362 H365 M427 P498 S502 I503 Y504E362-Y500 HydrophobicContact CB-CD1 3.96Å; E362-Y500 HydrophobicContact CB-CD2 4.24Å; E362-Y500 HydrophobicContact CB-CE1 4.2Å; E362-Y500 HydrophobicContact CB-CE2 4.46Å; E362-Y500 HydrophobicContact CB-CG 3.98Å; E362-Y500 HydrophobicContact CG-CD1 4.3Å; E362-Y500 HydrophobicContact CG-CD2 3.67Å; E362-Y500 HydrophobicContact CG-CE2 4.01Å; E362-Y500 HydrophobicContact CG-CG 3.83Å; H365-Y500 VanDerWaalsContact CB-OH 3.25Å; H365-Y500 WeakPolarHBondContact CB-OH 3.43Å; H365-Y500 VanDerWaalsContact CG-OH 3.29Å; H365-Y500 AromaticContact ND1-CZ 3.71Å; H365-Y500 PolarHBondContact ND1-OH 2.79Å; M427-Y500 HydrophobicContact SD-CD1 4.41Å; M427-Y500 HydrophobicContact SD-CE1 3.87Å; P498-Y500 HydrophobicContact CB-CD1 4.28Å; P498-Y500 HydrophobicContact CB-CE1 3.79Å; P498-Y500 HydrophobicContact CB-CE2 4.24Å; P498-Y500 WeakPolarHBondContact CD-OH 3.29Å; P498-Y500 HydrophobicContact CG-CE1 4.09Å; P498-Y500 WeakPolarHBondContact CG-OH 3.38Å; P498-Y500 VanDerWaalsContact O-CD2 3.28Å; P498-Y500 WeakPolarHBondContact O-CD2 3.48Å; P498-Y500 VanDerWaalsContact O-CE2 3.31Å; P498-Y500 WeakPolarHBondContact O-CE2 3.25Å; P498-Y500 PolarHBondContact O-N 3.31Å; P498-Y500 VanDerWaalsContact O-N 3.1Å; Y500-S502 PolarHBondContact O-N 2.78Å; Y500-I503 PolarHBondContact O-N 3.13Å; Y500-I503 VanDerWaalsContact O-N 3.14Å; Y500-Y504 WeakPolarHBondContact O-CD2 3.22Å; Y500-Y504 VanDerWaalsContact O-CG 3.32Å; Y500-Y504 PolarHBondContact O-N 3Å
501N85Confident86.9Confident106 Ų10656.9 Ų56.957%0.56730%0.296SS*.Hα-helixtrans-60.1-44.9-179.1-73.1-19.4000112E499 I503 Y504 E505E499-N501 VanDerWaalsContact C-N 3.3Å; E499-N501 PolarHBondContact O-N 3.44Å; N501-I503 VanDerWaalsContact C-N 3.25Å; N501-I503 PolarHBondContact O-N 3Å; N501-Y504 PolarHBondContact O-N 2.9Å; N501-Y504 VanDerWaalsContact O-N 3.09Å; N501-E505 WeakPolarHBondContact O-CG 3.13Å; N501-E505 PolarHBondContact O-N 3.22Å
502S88.3Confident86.4Confident35 Ų3559.1 Ų59.125%0.24530%0.299CS..Hα-helixtrans-57.4-41.1175.9-47.80000111E499 Y500 L506E499-S502 PolarHBondContact O-N 2.72Å; E499-S502 PolarHBondContact OE2-OG 2.76Å; Y500-S502 PolarHBondContact O-N 2.78Å; S502-L506 WeakPolarHBondContact O-CG 3.19Å; S502-L506 PolarHBondContact O-N 3.43Å
503I87.8Confident86.1Confident0 Ų063.5 Ų63.50%032%0.318CS..Hα-helixtrans-68.4-43.8175.4-60.1173.5000110.9L359 M427 W430 I485 V488 I489 E499 Y500 N501 E505 L506 L507L359-I503 HydrophobicContact CD1-CB 4.33Å; L359-I503 HydrophobicContact CD1-CG2 3.71Å; M427-I503 HydrophobicContact CE-CD1 3.31Å; W430-I503 HydrophobicContact CH2-CG2 3.45Å; W430-I503 VanDerWaalsContact CH2-CG2 3.45Å; W430-I503 HydrophobicContact CZ2-CG2 4.2Å; W430-I503 HydrophobicContact CZ3-CD1 4.48Å; W430-I503 HydrophobicContact CZ3-CG2 4.04Å; I485-I503 HydrophobicContact CD1-CG2 4.42Å; I485-I503 HydrophobicContact CG1-CG2 4.33Å; I485-I503 HydrophobicContact CG2-CG1 4.46Å; I485-I503 HydrophobicContact CG2-CG2 4.35Å; V488-I503 HydrophobicContact CB-CG1 4.36Å; V488-I503 HydrophobicContact CG1-CD1 4.17Å; V488-I503 HydrophobicContact CG1-CG1 4Å; I489-I503 HydrophobicContact CG1-CD1 4.35Å; E499-I503 PolarHBondContact O-N 3.14Å; Y500-I503 PolarHBondContact O-N 3.13Å; Y500-I503 VanDerWaalsContact O-N 3.14Å; N501-I503 VanDerWaalsContact C-N 3.25Å; N501-I503 PolarHBondContact O-N 3Å; I503-E505 VanDerWaalsContact C-N 3.31Å; I503-E505 PolarHBondContact O-N 3.04Å; I503-L506 PolarHBondContact O-N 2.8Å; I503-L507 HydrophobicContact CG2-CD1 3.92Å; I503-L507 HydrophobicContact CG2-CG 4.13Å; I503-L507 VanDerWaalsContact O-CG 3.27Å; I503-L507 WeakPolarHBondContact O-CG 3.48Å; I503-L507 PolarHBondContact O-N 2.61Å
504Y82.8Confident85.5Confident35 Ų3565.9 Ų65.914%0.13732%0.324CS..Hα-helixtrans-59.9-39.6177.5-66.1-42.2000112.7L359 E362 Y500 N501 L507 N508L359-Y504 HydrophobicContact CB-CE1 3.9Å; L359-Y504 HydrophobicContact CD1-CD1 4.29Å; L359-Y504 HydrophobicContact CD1-CE1 3.78Å; L359-Y504 HydrophobicContact CG-CE1 4.44Å; L359-Y504 PolarHBondContact O-OH 2.84Å; E362-Y504 WeakPolarHBondContact CB-OH 3.37Å; E362-Y504 PolarHBondContact OE2-OH 3.45Å; Y500-Y504 WeakPolarHBondContact O-CD2 3.22Å; Y500-Y504 VanDerWaalsContact O-CG 3.32Å; Y500-Y504 PolarHBondContact O-N 3Å; N501-Y504 PolarHBondContact O-N 2.9Å; N501-Y504 VanDerWaalsContact O-N 3.09Å; Y504-L507 PolarHBondContact O-N 3.28Å; Y504-N508 VanDerWaalsContact O-CB 3.31Å; Y504-N508 WeakPolarHBondContact O-CB 3.05Å; Y504-N508 PolarHBondContact O-N 3.3Å; Y504-N508 PolarHBondContact O-ND2 2.87Å
505E88.2Confident84.8Confident137 Ų13765.6 Ų65.664%0.6433%0.325SS*.Hα-helixtrans-62.1-43.4175.4-72.7174.3-173.400111.7N501 I503 N508 K509N501-E505 WeakPolarHBondContact O-CG 3.13Å; N501-E505 PolarHBondContact O-N 3.22Å; I503-E505 VanDerWaalsContact C-N 3.31Å; I503-E505 PolarHBondContact O-N 3.04Å; E505-N508 PolarHBondContact O-N 2.95Å; E505-K509 WeakPolarHBondContact O-CB 3.41Å; E505-K509 PolarHBondContact O-N 2.87Å
506L90Very high84.6Confident19 Ų1967.7 Ų67.710%0.09934%0.336CS..Hα-helixtrans-65.3-43.5176-68.7168.3000112.2E481 E484 I485 S502 I503 K509 I510E481-L506 HydrophobicContact CB-CB 4.38Å; E481-L506 HydrophobicContact CB-CD2 4.22Å; E481-L506 HydrophobicContact CG-CD2 4.01Å; E484-L506 HydrophobicContact CB-CD1 3.69Å; E484-L506 HydrophobicContact CB-CD2 3.77Å; E484-L506 HydrophobicContact CB-CG 4.4Å; E484-L506 HydrophobicContact CG-CD2 4.29Å; E484-L506 WeakPolarHBondContact OE2-CD2 3.39Å; I485-L506 HydrophobicContact CB-CD1 4.49Å; I485-L506 HydrophobicContact CD1-CB 4.24Å; I485-L506 HydrophobicContact CG1-CB 3.91Å; I485-L506 HydrophobicContact CG1-CD1 3.64Å; I485-L506 HydrophobicContact CG1-CG 4.42Å; S502-L506 WeakPolarHBondContact O-CG 3.19Å; S502-L506 PolarHBondContact O-N 3.43Å; I503-L506 PolarHBondContact O-N 2.8Å; L506-K509 WeakPolarHBondContact O-CB 3.11Å; L506-K509 PolarHBondContact O-N 3.24Å; L506-I510 WeakPolarHBondContact O-CG1 3.49Å; L506-I510 PolarHBondContact O-N 3.41Å
507L84.4Confident84Confident11 Ų1167.7 Ų67.76%0.05836%0.356CS..Hα-helixtrans-64.5-41.8175.9-60.8173.8000111.2P356 L359 W430 L434 I485 I503 Y504 K509 I510 T511P356-L507 HydrophobicContact CB-CD2 3.64Å; P356-L507 HydrophobicContact CG-CB 4.1Å; P356-L507 HydrophobicContact CG-CD1 4.41Å; P356-L507 HydrophobicContact CG-CD2 3.6Å; P356-L507 HydrophobicContact CG-CG 4.21Å; L359-L507 HydrophobicContact CD1-CD1 4.45Å; W430-L507 HydrophobicContact CH2-CD1 4.35Å; W430-L507 HydrophobicContact CH2-CD2 4.39Å; W430-L507 HydrophobicContact CZ2-CD1 3.96Å; W430-L507 HydrophobicContact CZ2-CD2 4.36Å; L434-L507 HydrophobicContact CD2-CD2 4.38Å; I485-L507 HydrophobicContact CD1-CD2 3.65Å; I485-L507 HydrophobicContact CD1-CG 4.33Å; I503-L507 HydrophobicContact CG2-CD1 3.92Å; I503-L507 HydrophobicContact CG2-CG 4.13Å; I503-L507 VanDerWaalsContact O-CG 3.27Å; I503-L507 WeakPolarHBondContact O-CG 3.48Å; I503-L507 PolarHBondContact O-N 2.61Å; Y504-L507 PolarHBondContact O-N 3.28Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 3.28Å; L507-I510 HydrophobicContact CD2-CD1 4.31Å; L507-I510 WeakPolarHBondContact O-CB 3.49Å; L507-I510 PolarHBondContact O-N 3.01Å; L507-T511 PolarHBondContact O-N 3.41Å; L507-T511 PolarHBondContact O-OG1 3.4Å; L507-T511 VanDerWaalsContact O-OG1 3.09Å
508N81.5Confident83.5Confident99 Ų9972.4 Ų72.453%0.52936%0.361SS..Hα-helixtrans-61.8-41.9174.5-75.7-27.6000111.4Y504 E505 I510 T511 Q512Y504-N508 VanDerWaalsContact O-CB 3.31Å; Y504-N508 WeakPolarHBondContact O-CB 3.05Å; Y504-N508 PolarHBondContact O-N 3.3Å; Y504-N508 PolarHBondContact O-ND2 2.87Å; E505-N508 PolarHBondContact O-N 2.95Å; N508-I510 VanDerWaalsContact C-N 3.32Å; N508-I510 PolarHBondContact O-N 2.75Å; N508-T511 PolarHBondContact O-N 2.73Å; N508-Q512 WeakPolarHBondContact O-CB 3.36Å; N508-Q512 VanDerWaalsContact O-CG 3.27Å; N508-Q512 WeakPolarHBondContact O-CG 3.18Å; N508-Q512 PolarHBondContact O-N 3.42Å
509K88Confident82.6Confident90 Ų9078.9 Ų78.939%0.39140%0.401SS..Hα-helixtrans-59.3-41.7175.3-176.4-177.3174.5-161.60111.5E481 E484 E505 L506 L507 K513E481-K509 HydrophobicContact CG-CD 3.88Å; E481-K509 HydrophobicContact CG-CG 4.36Å; E481-K509 WeakPolarHBondContact OE1-CD 3.44Å; E481-K509 WeakPolarHBondContact OE1-CE 3.48Å; E481-K509 IonicContact OE1-NZ 3.2Å; E481-K509 PolarHBondContact OE1-NZ 3.37Å; E484-K509 IonicContact OE1-NZ 2.78Å; E484-K509 PolarHBondContact OE1-NZ 2.98Å; E505-K509 WeakPolarHBondContact O-CB 3.41Å; E505-K509 PolarHBondContact O-N 2.87Å; L506-K509 WeakPolarHBondContact O-CB 3.11Å; L506-K509 PolarHBondContact O-N 3.24Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 3.28Å; K509-K513 WeakPolarHBondContact O-CG 3.5Å; K509-K513 PolarHBondContact O-N 2.97Å
510I86.5Confident81.8Confident11 Ų1177 Ų776%0.05640%0.401CS..Hα-helixtrans-62.3-52.1173-64.2158.5000110.4P479 E481 Y482 L506 L507 N508 Q512 K513 E514P479-I510 HydrophobicContact CB-CD1 4.03Å; P479-I510 HydrophobicContact CB-CG1 3.78Å; P479-I510 HydrophobicContact CB-CG2 4.18Å; P479-I510 HydrophobicContact CG-CD1 4.29Å; P479-I510 HydrophobicContact CG-CG1 4.22Å; P479-I510 HydrophobicContact CG-CG2 3.78Å; E481-I510 HydrophobicContact CB-CD1 3.68Å; E481-I510 HydrophobicContact CB-CG1 3.69Å; E481-I510 HydrophobicContact CG-CD1 4.41Å; E481-I510 HydrophobicContact CG-CG1 3.91Å; Y482-I510 HydrophobicContact CD1-CD1 3.9Å; Y482-I510 HydrophobicContact CE1-CD1 3.73Å; L506-I510 WeakPolarHBondContact O-CG1 3.49Å; L506-I510 PolarHBondContact O-N 3.41Å; L507-I510 HydrophobicContact CD2-CD1 4.31Å; L507-I510 WeakPolarHBondContact O-CB 3.49Å; L507-I510 PolarHBondContact O-N 3.01Å; N508-I510 VanDerWaalsContact C-N 3.32Å; N508-I510 PolarHBondContact O-N 2.75Å; I510-Q512 VanDerWaalsContact C-N 3.33Å; I510-Q512 PolarHBondContact O-N 3.38Å; I510-K513 WeakPolarHBondContact O-CB 3.3Å; I510-K513 PolarHBondContact O-N 3.4Å; I510-K513 VanDerWaalsContact O-N 3.13Å; I510-E514 PolarHBondContact O-N 3.08Å; I510-E514 VanDerWaalsContact O-N 3.11Å
511T77.6Confident80.8Confident53 Ų5378 Ų7833%0.32541%0.408SS..Hα-helixtrans-58.5-43.1-178.7-59.70000112L507 N508 K513 E514 L515L507-T511 PolarHBondContact O-N 3.41Å; L507-T511 PolarHBondContact O-OG1 3.4Å; L507-T511 VanDerWaalsContact O-OG1 3.09Å; N508-T511 PolarHBondContact O-N 2.73Å; T511-K513 VanDerWaalsContact C-N 3.32Å; T511-K513 PolarHBondContact O-N 3.22Å; T511-E514 PolarHBondContact O-N 2.88Å; T511-L515 HydrophobicContact CG2-CD1 3.86Å; T511-L515 HydrophobicContact CG2-CG 4.17Å; T511-L515 WeakPolarHBondContact O-CB 3.4Å; T511-L515 VanDerWaalsContact O-CG 3.29Å; T511-L515 WeakPolarHBondContact O-CG 3.34Å; T511-L515 PolarHBondContact O-N 3.03Å
512Q82.6Confident79.6Confident121 Ų12177.6 Ų77.657%0.56541%0.411SS*.Hα-helixtrans-63.7-36.4178.2-69.7-57.6-33.600112.6N508 I510 K516N508-Q512 WeakPolarHBondContact O-CB 3.36Å; N508-Q512 VanDerWaalsContact O-CG 3.27Å; N508-Q512 WeakPolarHBondContact O-CG 3.18Å; N508-Q512 PolarHBondContact O-N 3.42Å; I510-Q512 VanDerWaalsContact C-N 3.33Å; I510-Q512 PolarHBondContact O-N 3.38Å; Q512-K516 PolarHBondContact O-N 3.32Å
513K85.4Confident78.1Confident106 Ų10678.9 Ų78.946%0.46142%0.415SS..Hα-helixtrans-64.4-41.8174.3-74173.1174-177.40112E481 K509 I510 T511 K516E481-K513 IonicContact OE1-NZ 3.51Å; E481-K513 PolarHBondContact OE1-NZ 3.41Å; E481-K513 IonicContact OE2-NZ 3.78Å; K509-K513 WeakPolarHBondContact O-CG 3.5Å; K509-K513 PolarHBondContact O-N 2.97Å; I510-K513 WeakPolarHBondContact O-CB 3.3Å; I510-K513 PolarHBondContact O-N 3.4Å; I510-K513 VanDerWaalsContact O-N 3.13Å; T511-K513 VanDerWaalsContact C-N 3.32Å; T511-K513 PolarHBondContact O-N 3.22Å; K513-K516 VanDerWaalsContact O-CG 3.27Å; K513-K516 WeakPolarHBondContact O-CG 3.38Å
514E78.5Confident76.4Confident116 Ų11682.5 Ų82.554%0.54243%0.432SS..Hα-helixtrans-72.6-37.3179.2-69.5-55.4143.200112.9I510 T511 K516I510-E514 PolarHBondContact O-N 3.08Å; I510-E514 VanDerWaalsContact O-N 3.11Å; T511-E514 PolarHBondContact O-N 2.88Å; E514-K516 PolarHBondContact O-N 2.97Å
515L74.7Confident75Confident18 Ų1886.2 Ų86.29%0.09445%0.446CS..Hα-helixtrans-60.8-28.2176.7-77173.1000112.6T511 G517 R518 L521T511-L515 HydrophobicContact CG2-CD1 3.86Å; T511-L515 HydrophobicContact CG2-CG 4.17Å; T511-L515 WeakPolarHBondContact O-CB 3.4Å; T511-L515 VanDerWaalsContact O-CG 3.29Å; T511-L515 WeakPolarHBondContact O-CG 3.34Å; T511-L515 PolarHBondContact O-N 3.03Å; L515-G517 PolarHBondContact O-N 3.48Å; L515-G517 VanDerWaalsContact O-N 3.13Å; L515-R518 WeakPolarHBondContact CB-O 3.49Å; L515-R518 HydrophobicContact CD2-CB 4.41Å; L515-R518 WeakPolarHBondContact O-CB 3.47Å; L515-R518 WeakPolarHBondContact O-CG 3.41Å; L515-R518 PolarHBondContact O-N 3.1Å; L515-L521 HydrophobicContact CD2-CD1 4.31Å; L515-L521 HydrophobicContact CD2-CG 4.02Å
516K80.3Confident73.3Confident169 Ų16984.2 Ų84.274%0.73544%0.436SS*.THydrogen-bonded Turntrans47.342.8-180-62.7178.9-176.8172.80112.6Q512 K513 E514Q512-K516 PolarHBondContact O-N 3.32Å; K513-K516 VanDerWaalsContact O-CG 3.27Å; K513-K516 WeakPolarHBondContact O-CG 3.38Å; E514-K516 PolarHBondContact O-N 2.97Å
517G77.2Confident71Confident79 Ų7986.5 Ų86.581%0.81446%0.464SS*.THydrogen-bonded Turntrans85.50.7-178.700000115.8L515L515-G517 PolarHBondContact O-N 3.48Å; L515-G517 VanDerWaalsContact O-N 3.13Å
518R74.2Confident68.7Low159 Ų15991.3 Ų91.360%0.650%0.499SS*.  trans-77.4153.2172-59.9169.5-175.7-179.41.5110.6L515L515-R518 WeakPolarHBondContact CB-O 3.49Å; L515-R518 HydrophobicContact CD2-CB 4.41Å; L515-R518 WeakPolarHBondContact O-CB 3.47Å; L515-R518 WeakPolarHBondContact O-CG 3.41Å; L515-R518 PolarHBondContact O-N 3.1Å
519T69.1Low66.4Low143 Ų14392.5 Ų92.588%0.87751%0.51SS*.SBendtrans-77.9-30175.851.30000112.8
520S70.5Confident63.8Low85 Ų8592.6 Ų92.659%0.59453%0.528SS*.  trans-156.4162.3176.8580000110.1
521L63.6Low61Low47 Ų4797.3 Ų97.325%0.24656%0.562CS.*  trans-118.3144.2163.6-70.1166.2000107L515 L523L515-L521 HydrophobicContact CD2-CD1 4.31Å; L515-L521 HydrophobicContact CD2-CG 4.02Å; L521-L523 PolarHBondContact O-N 3.05Å
522P59.5Low58.6Low96 Ų96101.5 Ų101.562%0.62359%0.587SS**  trans-59.8134170.327-32.8000108.3E526P522-E526 WeakPolarHBondContact CA-OE2 3.12Å
523L57.9Low55.9Low62 Ų62100.9 Ų100.933%0.32560%0.597SS.*  trans-69.4143.7174.7-55.8167.1000108L521 W525 E526L521-L523 PolarHBondContact O-N 3.05Å; L523-W525 HydrophobicContact CB-CD2 3.88Å; L523-W525 HydrophobicContact CB-CE3 4.22Å; L523-W525 HydrophobicContact CB-CG 4.43Å; L523-W525 HydrophobicContact CB-CH2 4.19Å; L523-W525 HydrophobicContact CB-CZ2 3.85Å; L523-W525 HydrophobicContact CB-CZ3 4.35Å; L523-W525 HydrophobicContact CD1-CH2 4.28Å; L523-W525 HydrophobicContact CD1-CZ2 3.47Å; L523-W525 VanDerWaalsContact CD1-CZ2 3.47Å; L523-W525 HydrophobicContact CD2-CH2 4.24Å; L523-W525 HydrophobicContact CD2-CZ2 4.24Å; L523-W525 HydrophobicContact CG-CH2 4.46Å; L523-W525 HydrophobicContact CG-CZ2 4.04Å; L523-W525 PolarHBondContact O-N 3.43Å; L523-E526 HydrophobicContact CB-CG 3.96Å; L523-E526 HydrophobicContact CD1-CG 4.49Å; L523-E526 PolarHBondContact N-OE2 2.98Å; L523-E526 WeakPolarHBondContact O-CB 3.38Å; L523-E526 PolarHBondContact O-N 3.09Å
524E52Low53.3Low76 Ų76101 Ų10136%0.35561%0.611SS.*THydrogen-bonded Turntrans-53.4-26-176.7-69.1-158.4144.700113.6C350 K351 K352 D354C350-E524 VanDerWaalsContact CA-OE2 3.24Å; C350-E524 WeakPolarHBondContact CA-OE2 3.25Å; C350-E524 HydrophobicContact CB-CB 4.46Å; C350-E524 WeakPolarHBondContact CB-OE2 3.38Å; C350-E524 VanDerWaalsContact SG-CB 3.57Å; C350-E524 PolarHBondContact SG-OE2 3.29Å; C350-E524 VanDerWaalsContact SG-OE2 3.37Å; K351-E524 PolarHBondContact N-OE2 2.64Å; K352-E524 PolarHBondContact N-OE2 3.28Å; K352-E524 VanDerWaalsContact O-OE2 3.08Å; D354-E524 WeakPolarHBondContact OD2-CG 3.45Å
525W52.6Low51.1Low114 Ų114105.7 Ų105.743%0.43263%0.63SS.*THydrogen-bonded Turntrans-87.5-8.3176.758.982.9000115.2V346 L523 G527V346-W525 HydrophobicContact CG1-CD2 4.49Å; V346-W525 HydrophobicContact CG1-CE3 3.53Å; V346-W525 HydrophobicContact CG1-CZ3 3.7Å; V346-W525 HydrophobicContact CG2-CE3 4.46Å; L523-W525 HydrophobicContact CB-CD2 3.88Å; L523-W525 HydrophobicContact CB-CE3 4.22Å; L523-W525 HydrophobicContact CB-CG 4.43Å; L523-W525 HydrophobicContact CB-CH2 4.19Å; L523-W525 HydrophobicContact CB-CZ2 3.85Å; L523-W525 HydrophobicContact CB-CZ3 4.35Å; L523-W525 HydrophobicContact CD1-CH2 4.28Å; L523-W525 HydrophobicContact CD1-CZ2 3.47Å; L523-W525 VanDerWaalsContact CD1-CZ2 3.47Å; L523-W525 HydrophobicContact CD2-CH2 4.24Å; L523-W525 HydrophobicContact CD2-CZ2 4.24Å; L523-W525 HydrophobicContact CG-CH2 4.46Å; L523-W525 HydrophobicContact CG-CZ2 4.04Å; L523-W525 PolarHBondContact O-N 3.43Å; W525-G527 VanDerWaalsContact C-N 3.26Å
526E52.9Low49Very low94 Ų94111.7 Ų111.744%0.43967%0.667SS.*G310 helixtrans-78.6-10.9175.5-70.3174.8158.700112.3P522 L523 S528P522-E526 WeakPolarHBondContact CA-OE2 3.12Å; L523-E526 HydrophobicContact CB-CG 3.96Å; L523-E526 HydrophobicContact CD1-CG 4.49Å; L523-E526 PolarHBondContact N-OE2 2.98Å; L523-E526 WeakPolarHBondContact O-CB 3.38Å; L523-E526 PolarHBondContact O-N 3.09Å; E526-S528 VanDerWaalsContact C-N 3.3Å; E526-S528 PolarHBondContact O-N 2.97Å
527G41.9Very low46.8Very low67 Ų67117.1 Ų117.169%0.69169%0.691SS**G310 helixtrans-75.67.4-173.300000118W525W525-G527 VanDerWaalsContact C-N 3.26Å
528S36.4Very low45.3Very low113 Ų113119.1 Ų119.179%0.7969%0.685SS**G310 helixtrans-132.80.7-177.1-59.90000115.8E526E526-S528 VanDerWaalsContact C-N 3.3Å; E526-S528 PolarHBondContact O-N 2.97Å
529T34.1Very low43.7Very low123 Ų123116.9 Ų116.976%0.75569%0.689SS**THydrogen-bonded Turntrans-129.10.2-171.749.90000116
530A32.2Very low42.3Very low92 Ų92115.5 Ų115.576%0.7668%0.679SS**  trans-106.76.9-171.200000116.7
531S27.5Very low40.7Very low110 Ų110117.3 Ų117.377%0.76968%0.683SS**SBendtrans-108.544.4-174600000115.2
532T27.2Very low39.2Very low141 Ų141121.7 Ų121.787%0.86571%0.711SS**SBendtrans-156.664.116721.70000112.2
533S27.3Very low37.9Very low109 Ų109123.4 Ų123.476%0.76272%0.717SS**SBendtrans-162.7143.6150.761.30000110.1
534S29.1Very low36.5Very low109 Ų109127.8 Ų127.876%0.76275%0.745SS**  trans80.380.6-175.879.80000116.7
535K32.1Very low35.3Very low214 Ų214131.8 Ų131.893%0.9378%0.775SS**  -158.582.3127.4-104174.1-170.4-177.50108
536T31.8Very low33.8Very low144 Ų144133.3 Ų133.388%0.88380%0.803SS**  trans-100.799.1161.7-8.90000106.8
537K33.2Very low32.1Very low283 Ų283136.8 Ų136.8100%1.2384%0.836SS**  trans-158.40142.2-114.1-170.4-177.3-175.90107.8

Retrieved 537 of 537 residues in 319.2 ms (Link to these results)

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