A0A096MNG8_PAPAN Loading...

Integral membrane protein DGCR2/IDD

AlphaFold DB , UniProt , Accession A0A096MNG8, Species PAPAN (Papio anubis, Olive baboon), Gene DGCR2, Length 550 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low52.3Low245 Ų245126.7 Ų126.7100%1.20773%0.734SS**  095.70-80.1160.7161.400107.3
2V37Very low53.3Low139 Ų139125.9 Ų125.984%0.84272%0.724SS**PPolyproline II helixtrans-99.7125.5174175.60000105.5K4V2-K4 PolarHBondContact O-N 3.46Å
3P45.1Very low54.2Low122 Ų122124.9 Ų124.979%0.79271%0.714SS**PPolyproline II helixtrans-70.7128.2178.328.5-30.2000108.8
4K47.7Very low54.8Low189 Ų189126 Ų12682%0.82271%0.707SS**PPolyproline II helixtrans-74.6121.1177.8-157.4168.5176.174.80106.7V2 D6V2-K4 PolarHBondContact O-N 3.46Å; K4-D6 PolarHBondContact O-N 2.94Å
5A44.5Very low55.3Low90 Ų90123.7 Ų123.774%0.74469%0.691SS**PPolyproline II helixtrans-70.7117.3176.800000109.1S7A5-S7 PolarHBondContact O-N 3.36Å
6D57.2Low55.6Low125 Ų125122.6 Ų122.667%0.66868%0.683SS**  trans-74115.7-179.5-69.4-40.5000110.5K4 G8 A9K4-D6 PolarHBondContact O-N 2.94Å; D6-G8 PolarHBondContact O-N 3.32Å; D6-A9 PolarHBondContact O-N 2.83Å; D6-A9 VanDerWaalsContact O-N 3.07Å
7S57.1Low56Low103 Ų103120.2 Ų120.272%0.7267%0.672SS**Hα-helixtrans-54.7-16.7176.1-71.70000114.2A5 L11A5-S7 PolarHBondContact O-N 3.36Å; S7-L11 PolarHBondContact O-N 2.87Å
8G60.2Low56.1Low44 Ų44118.9 Ų118.945%0.45466%0.663SS.*Hα-helixtrans-69.7-30.7176.100000113.8D6 L11 L12D6-G8 PolarHBondContact O-N 3.32Å; G8-L11 PolarHBondContact O-N 2.87Å; G8-L12 WeakPolarHBondContact O-CB 3.09Å; G8-L12 PolarHBondContact O-N 2.63Å
9A63.6Low55.9Low65 Ų65117.8 Ų117.854%0.53766%0.66SS.*Hα-helixtrans-71.1-37.3-179.500000111.9D6 L13D6-A9 PolarHBondContact O-N 2.83Å; D6-A9 VanDerWaalsContact O-N 3.07Å; A9-L13 WeakPolarHBondContact O-CB 3.45Å; A9-L13 PolarHBondContact O-N 2.84Å
10F61.6Low55.7Low162 Ų162117.6 Ų117.671%0.71166%0.661SS**Hα-helixtrans-69.9-38175.6-95.5-87.9000112.3L13 F14F10-L13 PolarHBondContact O-N 2.92Å; F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.35Å; F10-F14 PolarHBondContact O-N 3.38Å
11L63.4Low55.4Low110 Ų110116.3 Ų116.358%0.57666%0.656SS**Hα-helixtrans-71.3-36.9179.3-129.9153.3000111.7S7 G8 F14 L15S7-L11 PolarHBondContact O-N 2.87Å; G8-L11 PolarHBondContact O-N 2.87Å; L11-F14 PolarHBondContact O-N 3.06Å; L11-L15 HydrophobicContact CD2-CD1 3.83Å; L11-L15 HydrophobicContact CD2-CG 4.23Å; L11-L15 WeakPolarHBondContact O-CB 2.92Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.07Å
12L65.1Low55.7Low117 Ų117112.1 Ų112.161%0.61363%0.633SS**Hα-helixtrans-65.9-41.5170.5-92.1159.6000112.1G8 F14 L15 L16G8-L12 WeakPolarHBondContact O-CB 3.09Å; G8-L12 PolarHBondContact O-N 2.63Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.4Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 2.91Å; L12-L16 PolarHBondContact O-N 3.26Å
13L64.8Low55.9Low113 Ų113110.9 Ų110.959%0.59263%0.628SS**Hα-helixtrans-65-40176.2-151.994.2000111.3A9 F10 L16 V17A9-L13 WeakPolarHBondContact O-CB 3.45Å; A9-L13 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 2.92Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 2.87Å
14F62.7Low55.5Low140 Ų140112.9 Ų112.961%0.61463%0.632SS**Hα-helixtrans-70.7-38179-147.9-92.4000112.1F10 L11 L12 V17 L18F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.35Å; F10-F14 PolarHBondContact O-N 3.38Å; L11-F14 PolarHBondContact O-N 3.06Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-V17 PolarHBondContact O-N 2.95Å; F14-L18 HydrophobicContact CD1-CD1 3.69Å; F14-L18 HydrophobicContact CD1-CG 4.27Å; F14-L18 HydrophobicContact CE1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CG 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.36Å; F14-L18 VanDerWaalsContact O-CG 3.31Å; F14-L18 WeakPolarHBondContact O-CG 3.09Å; F14-L18 PolarHBondContact O-N 3.3Å
15L62.1Low55.5Low91 Ų91115 Ų11548%0.47663%0.634SS.*Hα-helixtrans-69.2-36.9172.2-74.1169.3000111.9L11 L12 V17 L18 T19L11-L15 HydrophobicContact CD2-CD1 3.83Å; L11-L15 HydrophobicContact CD2-CG 4.23Å; L11-L15 WeakPolarHBondContact O-CB 2.92Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.4Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.21Å; L15-T19 WeakPolarHBondContact O-CG2 3.47Å; L15-T19 PolarHBondContact O-N 3.43Å; L15-T19 PolarHBondContact O-OG1 3.03Å
16L60.8Low55.3Low106 Ų106115.4 Ų115.456%0.55563%0.63SS**Hα-helixtrans-61.4-43.8172.2-119.1149.4000111.1L12 L13 T19 V20L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 2.91Å; L12-L16 PolarHBondContact O-N 3.26Å; L13-L16 PolarHBondContact O-N 2.92Å; L16-T19 WeakPolarHBondContact CA-OG1 3.3Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.22Å; L16-V20 WeakPolarHBondContact O-CB 3.49Å; L16-V20 WeakPolarHBondContact O-CG2 3.16Å; L16-V20 PolarHBondContact O-N 2.01Å; L16-V20 VanDerWaalsContact O-N 3.11Å
17V62.4Low55.1Low83 Ų83118.1 Ų118.150%0.50364%0.638SS.*Hα-helixtrans-64.6-41175.8171.90000111.2L13 F14 L15 V20 T21L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 2.87Å; F14-V17 PolarHBondContact O-N 2.95Å; L15-V17 VanDerWaalsContact C-N 3.34Å; V17-V20 PolarHBondContact O-N 3.29Å; V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.19Å; V17-T21 PolarHBondContact O-OG1 2.98Å
18L56.3Low54.7Low96 Ų96117.1 Ų117.150%0.50362%0.624SS.*Hα-helixtrans-69.7-33.2177.5-75.3167000113.6F14 L15 V20 T21F14-L18 HydrophobicContact CD1-CD1 3.69Å; F14-L18 HydrophobicContact CD1-CG 4.27Å; F14-L18 HydrophobicContact CE1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CG 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.36Å; F14-L18 VanDerWaalsContact O-CG 3.31Å; F14-L18 WeakPolarHBondContact O-CG 3.09Å; F14-L18 PolarHBondContact O-N 3.3Å; L15-L18 PolarHBondContact O-N 3.21Å; L18-V20 VanDerWaalsContact C-N 3.31Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.36Å; L18-T21 PolarHBondContact O-OG1 3.34Å; L18-T21 VanDerWaalsContact O-OG1 3.08Å
19T52.8Low54.6Low99 Ų99126.3 Ų126.361%0.60765%0.645SS**Hα-helixtrans-77.5-15.8174.355.80000113.7L15 L16L15-T19 WeakPolarHBondContact O-CG2 3.47Å; L15-T19 PolarHBondContact O-N 3.43Å; L15-T19 PolarHBondContact O-OG1 3.03Å; L16-T19 WeakPolarHBondContact CA-OG1 3.3Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.22Å
20V52.1Low55Low112 Ų112124.5 Ų124.568%0.67963%0.629SS**Hα-helixtrans-91.4-11.2174.2174.40000111.4L16 V17 L18L16-V20 WeakPolarHBondContact O-CB 3.49Å; L16-V20 WeakPolarHBondContact O-CG2 3.16Å; L16-V20 PolarHBondContact O-N 2.01Å; L16-V20 VanDerWaalsContact O-N 3.11Å; V17-V20 PolarHBondContact O-N 3.29Å; L18-V20 VanDerWaalsContact C-N 3.31Å
21T49.8Very low55.6Low92 Ų92122 Ų12256%0.56462%0.622SS**  trans-102.537.5174.157.60000113.1V17 L18V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.19Å; V17-T21 PolarHBondContact O-OG1 2.98Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.36Å; L18-T21 PolarHBondContact O-OG1 3.34Å; L18-T21 VanDerWaalsContact O-OG1 3.08Å
22E43.3Very low55.8Low156 Ų156123.3 Ų123.373%0.72964%0.638SS**SBendtrans-86.8120.3157.5-158155.3-173.200106.5L24E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 3.12Å
23P41.6Very low56.1Low113 Ų113119.6 Ų119.673%0.73463%0.628SS**  trans-66.3104.1176.327.6-29.8000106.1R25P23-R25 VanDerWaalsContact C-N 3.26Å; P23-R25 PolarHBondContact O-N 3.03Å
24L36.2Very low56.8Low165 Ų165118 Ų11886%0.86462%0.617SS**  trans-47.3103.2155.4-83.1155.4000105.3E22 P26E22-L24 VanDerWaalsContact C-N 3.34Å; E22-L24 PolarHBondContact O-N 3.12Å; L24-P26 WeakPolarHBondContact O-CD 3.5Å
25R48.2Very low57.6Low233 Ų233113.7 Ų113.788%0.87960%0.598SS**  trans-48.6112.7165.4-78.1179.7177.4160.5-0.7104.6P23 E27P23-R25 VanDerWaalsContact C-N 3.26Å; P23-R25 PolarHBondContact O-N 3.03Å; R25-E27 PolarHBondContact O-N 3.33Å
26P40Very low58.5Low99 Ų99111.3 Ų111.364%0.64359%0.592SS**  trans-61.2120.5169.4-5.219.5000103.6L24 L28L24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-L28 PolarHBondContact O-N 3.36Å
27E52.5Low59.5Low182 Ų182106.8 Ų106.885%0.8557%0.569SS**  trans-58.698.6160.6-149.1167.5-16600104.3R25 R29R25-E27 PolarHBondContact O-N 3.33Å; E27-R29 PolarHBondContact O-N 2.99Å
28L50.5Low60.1Low82 Ų82113 Ų11343%0.42958%0.583SS.*  trans-59.5100.3-173.1-95.899.1000108P26 C30 Q43P26-L28 PolarHBondContact O-N 3.36Å; L28-C30 PolarHBondContact O-N 2.93Å; L28-Q43 HydrophobicContact CD2-CB 3.72Å; L28-Q43 HydrophobicContact CD2-CG 4.16Å
29R56.1Low60.8Low236 Ų236112.3 Ų112.389%0.89159%0.587SS**  trans-90.890.9167.5-84.5-172.1170.9171.1-0.7108.1E27E27-R29 PolarHBondContact O-N 2.99Å
30C72.3Confident61.4Low28 Ų28108.9 Ų108.919%0.18957%0.571CS.*  trans-64.6153.7159.2-59.50000109.3L28 Q34 A36 C44L28-C30 PolarHBondContact O-N 2.93Å; C30-Q34 HydrophobicContact CB-CB 3.82Å; C30-A36 VanDerWaalsContact SG-CB 3.54Å; C30-C44 HydrophobicContact CB-CB 3.96Å; C30-C44 WeakPolarHBondContact CB-SG 3.16Å; C30-C44 WeakPolarHBondContact SG-CB 3.13Å; C30-C44 CovalentContact SG-SG 2.05Å; C30-C44 PolarHBondContact SG-SG 3.41Å
31N75.8Confident61.9Low108 Ų108109.1 Ų109.158%0.57857%0.573SS**  trans-65.8152.8179-71.1-44.2000110.8G33 Q34N31-G33 PolarHBondContact O-N 2.94Å; N31-Q34 PolarHBondContact O-N 2.98Å
32P65.8Low63Low138 Ų138108.2 Ų108.290%0.89656%0.564SS**THydrogen-bonded Turntrans-58.8111.5172.224.3-32000109
33G71.8Confident64.4Low40 Ų40106.1 Ų106.141%0.41255%0.554SS.*THydrogen-bonded Turntrans123.2-4.1-16900000115.3N31 L47N31-G33 PolarHBondContact O-N 2.94Å; G33-L47 WeakPolarHBondContact O-CB 3.17Å; G33-L47 PolarHBondContact O-N 2.9Å
34Q80.1Confident66.3Low79 Ų79103 Ų10337%0.36953%0.534SS..EExtended strand (participates in β ladder)trans-126.2143.2-176.7-67.9173.9-11.700112C30 N31 C44 I45C30-Q34 HydrophobicContact CB-CB 3.82Å; N31-Q34 PolarHBondContact O-N 2.98Å; Q34-C44 HydrophobicContact CB-CB 4.35Å; Q34-I45 CarbonylContact C-O 3.55Å; Q34-I45 WeakPolarHBondContact CA-O 3.37Å; Q34-I45 WeakPolarHBondContact CB-O 3.4Å
35F79.8Confident68.5Low49 Ų4995.2 Ų95.222%0.21549%0.494CS..EExtended strand (participates in β ladder)trans-95.7138.2172.9175.8-96.9000110.1C44 I45 Q50 S61 D62F35-C44 CarbonylContact O-C 3.57Å; F35-C44 VanDerWaalsContact O-CA 3.27Å; F35-C44 WeakPolarHBondContact O-CA 3.49Å; F35-I45 HydrophobicContact CB-CD1 4.36Å; F35-I45 HydrophobicContact CB-CG1 3.83Å; F35-I45 HydrophobicContact CD1-CD1 3.86Å; F35-I45 HydrophobicContact CD1-CG1 3.9Å; F35-I45 HydrophobicContact CG-CG1 4.36Å; F35-I45 PolarHBondContact N-O 3.33Å; F35-I45 PolarHBondContact O-N 3.26Å; F35-Q50 HydrophobicContact CD2-CG 4.39Å; F35-Q50 VanDerWaalsContact CD2-NE2 3.34Å; F35-S61 WeakPolarHBondContact CZ-O 3.28Å; F35-D62 HydrophobicContact CD1-CB 4.4Å; F35-D62 HydrophobicContact CE1-CB 4.24Å
36A80.3Confident70.2Confident41 Ų4186.4 Ų86.434%0.33947%0.467SS..EExtended strand (participates in β ladder)trans-92.6119.9-179.100000110.5C30 Q43C30-A36 VanDerWaalsContact SG-CB 3.54Å; A36-Q43 WeakPolarHBondContact CA-O 3.36Å
37C83.1Confident71.9Confident11 Ų1185.8 Ų85.87%0.07446%0.457CS..PPolyproline II helixtrans-65.5147.1171.2-56.70000109.4I42 Q43 C57 S61C37-I42 WeakPolarHBondContact CB-O 3.5Å; C37-Q43 PolarHBondContact N-O 3.29Å; C37-C57 HydrophobicContact CB-CB 3.78Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CB 3.42Å; C37-C57 CovalentContact SG-SG 2.04Å; C37-C57 PolarHBondContact SG-SG 3.28Å; C37-S61 WeakPolarHBondContact CA-OG 3.3Å
38R74.5Confident73.3Confident214 Ų21482 Ų8281%0.80845%0.448SS*.SBendtrans-77.7-26.5-175.7175-165.7-50.9-124.11.8112D59 S61R38-D59 VanDerWaalsContact C-OD2 3.29Å; R38-D59 VanDerWaalsContact CA-OD2 3.28Å; R38-D59 WeakPolarHBondContact CA-OD2 3.39Å; R38-D59 WeakPolarHBondContact CB-OD2 3.18Å; R38-D59 PolarHBondContact N-OD2 2.92Å; R38-D59 VanDerWaalsContact N-OD2 3.13Å; R38-S61 PolarHBondContact N-OG 2.93Å
39S70.3Confident74.7Confident82 Ų8284 Ų8457%0.57345%0.45SS*.SBendtrans-161.2147.2173.3-178.30000110.5D59S39-D59 PolarHBondContact N-OD2 3.46Å; S39-D59 WeakPolarHBondContact O-CB 3.36Å
40G65.1Low75.9Confident27 Ų2776 Ų7628%0.27842%0.423SS..SBendtrans146.8173.2174.700000113.6I42 E58G40-I42 VanDerWaalsContact C-N 3.26Å; G40-E58 WeakPolarHBondContact CA-OE2 3.23Å
41T64.1Low76.4Confident116 Ų11677 Ų7771%0.71243%0.43SS*.SBendtrans-66.8-32.1168.757.20000111.2E58T41-E58 PolarHBondContact N-OE2 3.27Å; T41-E58 VanDerWaalsContact OG1-CD 3.26Å; T41-E58 PolarHBondContact OG1-OE1 3.13Å; T41-E58 PolarHBondContact OG1-OE2 3.08Å
42I71Confident76.6Confident73 Ų7375 Ų7537%0.37442%0.419SS..  trans-91.5119.2170.9-58.3171.2000108.4C37 G40 I45C37-I42 WeakPolarHBondContact CB-O 3.5Å; G40-I42 VanDerWaalsContact C-N 3.26Å; I42-I45 HydrophobicContact CG2-CG2 3.9Å
43Q72.7Confident77Confident112 Ų11271.1 Ų71.152%0.52341%0.405SS..  trans-105.5-25.2-174.9-73.3-174.73.500114L28 A36 C37L28-Q43 HydrophobicContact CD2-CB 3.72Å; L28-Q43 HydrophobicContact CD2-CG 4.16Å; A36-Q43 WeakPolarHBondContact CA-O 3.36Å; C37-Q43 PolarHBondContact N-O 3.29Å
44C82.1Confident77.1Confident47 Ų4778.5 Ų78.532%0.31842%0.42SS..EExtended strand (participates in β ladder)trans-139.2131178.7-59.20000110.1C30 Q34 F35C30-C44 HydrophobicContact CB-CB 3.96Å; C30-C44 WeakPolarHBondContact CB-SG 3.16Å; C30-C44 WeakPolarHBondContact SG-CB 3.13Å; C30-C44 CovalentContact SG-SG 2.05Å; C30-C44 PolarHBondContact SG-SG 3.41Å; Q34-C44 HydrophobicContact CB-CB 4.35Å; F35-C44 CarbonylContact O-C 3.57Å; F35-C44 VanDerWaalsContact O-CA 3.27Å; F35-C44 WeakPolarHBondContact O-CA 3.49Å
45I82.4Confident77.1Confident3 Ų377.4 Ų77.42%0.01543%0.425CS..EExtended strand (participates in β ladder)trans-114.7157.7173.263.7170000110.4Q34 F35 I42 W49 T56 D62Q34-I45 CarbonylContact C-O 3.55Å; Q34-I45 WeakPolarHBondContact CA-O 3.37Å; Q34-I45 WeakPolarHBondContact CB-O 3.4Å; F35-I45 HydrophobicContact CB-CD1 4.36Å; F35-I45 HydrophobicContact CB-CG1 3.83Å; F35-I45 HydrophobicContact CD1-CD1 3.86Å; F35-I45 HydrophobicContact CD1-CG1 3.9Å; F35-I45 HydrophobicContact CG-CG1 4.36Å; F35-I45 PolarHBondContact N-O 3.33Å; F35-I45 PolarHBondContact O-N 3.26Å; I42-I45 HydrophobicContact CG2-CG2 3.9Å; I45-W49 HydrophobicContact CD1-CB 4.36Å; I45-T56 HydrophobicContact CG2-CG2 4.09Å; I45-D62 HydrophobicContact CD1-CB 3.43Å; I45-D62 VanDerWaalsContact CD1-CB 3.43Å
46P83.3Confident77.2Confident48 Ų4877.1 Ų77.131%0.31243%0.427SS..EExtended strand (participates in β ladder)trans-59.2138.6169.3-21.734000112.3P48 W49P46-P48 VanDerWaalsContact C-N 3.3Å; P46-W49 HydrophobicContact CB-CD2 4.22Å; P46-W49 HydrophobicContact CB-CG 4.31Å; P46-W49 VanDerWaalsContact CD-CE3 3.4Å; P46-W49 HydrophobicContact CG-CD2 3.87Å; P46-W49 HydrophobicContact CG-CE3 3.89Å; P46-W49 HydrophobicContact CG-CG 4.46Å; P46-W49 HydrophobicContact CG-CH2 4.3Å; P46-W49 HydrophobicContact CG-CZ2 4.29Å; P46-W49 HydrophobicContact CG-CZ3 4.11Å; P46-W49 WeakPolarHBondContact O-CB 3.45Å; P46-W49 PolarHBondContact O-N 3.34Å
47L77.1Confident77.2Confident85 Ų8575.3 Ų75.345%0.44541%0.412SS..G310 helixtrans-49.4-37.2175.9-99156.2000115.3G33 W49 Q50G33-L47 WeakPolarHBondContact O-CB 3.17Å; G33-L47 PolarHBondContact O-N 2.9Å; L47-W49 PolarHBondContact O-N 3.44Å; L47-Q50 WeakPolarHBondContact O-CB 3.02Å; L47-Q50 PolarHBondContact O-N 2.97Å
48P80.8Confident77Confident102 Ų10280.7 Ų80.766%0.66244%0.436SS*.G310 helixtrans-67.2-12.7178.2-23.134.7000115.4P46P46-P48 VanDerWaalsContact C-N 3.3Å
49W81.3Confident77.1Confident124 Ų12472.9 Ų72.947%0.4741%0.41SS..G310 helixtrans-96.82.2179-58.4-8.2000111.9I45 P46 L47 T56I45-W49 HydrophobicContact CD1-CB 4.36Å; P46-W49 HydrophobicContact CB-CD2 4.22Å; P46-W49 HydrophobicContact CB-CG 4.31Å; P46-W49 VanDerWaalsContact CD-CE3 3.4Å; P46-W49 HydrophobicContact CG-CD2 3.87Å; P46-W49 HydrophobicContact CG-CE3 3.89Å; P46-W49 HydrophobicContact CG-CG 4.46Å; P46-W49 HydrophobicContact CG-CH2 4.3Å; P46-W49 HydrophobicContact CG-CZ2 4.29Å; P46-W49 HydrophobicContact CG-CZ3 4.11Å; P46-W49 WeakPolarHBondContact O-CB 3.45Å; P46-W49 PolarHBondContact O-N 3.34Å; L47-W49 PolarHBondContact O-N 3.44Å; W49-T56 HydrophobicContact CE3-CG2 3.91Å; W49-T56 HydrophobicContact CZ3-CG2 4.25Å
50Q80.8Confident77.4Confident69 Ų6975.1 Ų75.132%0.32241%0.412SS..THydrogen-bonded Turntrans-79.2122.4166.4-175.1-177.827.100107.9F35 L47F35-Q50 HydrophobicContact CD2-CG 4.39Å; F35-Q50 VanDerWaalsContact CD2-NE2 3.34Å; L47-Q50 WeakPolarHBondContact O-CB 3.02Å; L47-Q50 PolarHBondContact O-N 2.97Å
51C82.1Confident78.2Confident49 Ų4974.4 Ų74.433%0.33140%0.402SS..THydrogen-bonded Turntrans66.135.7178.9-50.30000114G53 D62 E63 C66C51-G53 VanDerWaalsContact C-N 3.28Å; C51-D62 PolarHBondContact N-O 2.85Å; C51-E63 WeakPolarHBondContact CA-OE1 3.19Å; C51-E63 PolarHBondContact N-OE1 3.39Å; C51-C66 WeakPolarHBondContact CA-SG 3.31Å; C51-C66 HydrophobicContact CB-CB 3.67Å; C51-C66 WeakPolarHBondContact CB-SG 3.23Å; C51-C66 WeakPolarHBondContact SG-CA 3.09Å; C51-C66 WeakPolarHBondContact SG-CB 3.09Å; C51-C66 CovalentContact SG-SG 2.01Å; C51-C66 PolarHBondContact SG-SG 3.12Å
52D79.9Confident79Confident65 Ų6568.9 Ų68.935%0.34837%0.369SS..SBendtrans-90.20.2174.175.8-4.1000112.4W54 E63D52-W54 VanDerWaalsContact C-N 3.35Å; D52-W54 WeakPolarHBondContact OD1-CB 3.24Å; D52-W54 PolarHBondContact OD1-N 2.98Å; D52-E63 PolarHBondContact N-OE1 2.82Å
53G74.5Confident79.8Confident58 Ų5867.9 Ų67.960%0.59836%0.362SS*.SBendtrans85.75.9179.500000113.6C51 E63C51-G53 VanDerWaalsContact C-N 3.28Å; G53-E63 PolarHBondContact N-OE1 3.04Å; G53-E63 PolarHBondContact N-OE2 3.27Å
54W73.3Confident79.9Confident194 Ų19466.2 Ų66.274%0.73537%0.367SS*.SBendtrans-124119.2178.2-61.688.7000110.6D52 T56D52-W54 VanDerWaalsContact C-N 3.35Å; D52-W54 WeakPolarHBondContact OD1-CB 3.24Å; D52-W54 PolarHBondContact OD1-N 2.98Å; W54-T56 PolarHBondContact O-N 3.32Å; W54-T56 PolarHBondContact O-OG1 3.38Å
55A81.5Confident79.4Confident57 Ų5770.9 Ų70.947%0.47139%0.389SS..  trans-64.9100174.600000110.8E60A55-E60 HydrophobicContact CB-CB 4.23Å; A55-E60 HydrophobicContact CB-CG 3.86Å
56T81.1Confident79.3Confident42 Ų4272.7 Ų72.726%0.25840%0.402SS..  trans-95.1-29.9177.6-55.20000111.1I45 W49 W54 D62I45-T56 HydrophobicContact CG2-CG2 4.09Å; W49-T56 HydrophobicContact CE3-CG2 3.91Å; W49-T56 HydrophobicContact CZ3-CG2 4.25Å; W54-T56 PolarHBondContact O-N 3.32Å; W54-T56 PolarHBondContact O-OG1 3.38Å; T56-D62 VanDerWaalsContact CA-OD2 3.32Å; T56-D62 WeakPolarHBondContact CA-OD2 3.32Å; T56-D62 VanDerWaalsContact CB-OD2 3.23Å; T56-D62 WeakPolarHBondContact CB-OD2 3.27Å; T56-D62 PolarHBondContact N-OD2 3.01Å
57C81.4Confident78.9Confident4 Ų475.3 Ų75.33%0.02742%0.419CS..SBendtrans-77.5138.6167.8-64.50000110.6C37 D59 E60 D62C37-C57 HydrophobicContact CB-CB 3.78Å; C37-C57 WeakPolarHBondContact CB-SG 3.26Å; C37-C57 WeakPolarHBondContact SG-CB 3.42Å; C37-C57 CovalentContact SG-SG 2.04Å; C37-C57 PolarHBondContact SG-SG 3.28Å; C57-D59 WeakPolarHBondContact CB-OD1 3.47Å; C57-D59 PolarHBondContact O-N 2.74Å; C57-D59 VanDerWaalsContact O-N 3.15Å; C57-E60 PolarHBondContact O-N 2.96Å; C57-D62 HydrophobicContact CB-CB 4.41Å; C57-D62 VanDerWaalsContact CB-OD1 3.31Å; C57-D62 WeakPolarHBondContact CB-OD1 3.42Å; C57-D62 PolarHBondContact N-OD1 2.87Å; C57-D62 PolarHBondContact N-OD2 3.35Å; C57-D62 VanDerWaalsContact N-OD2 3.12Å
58E78.4Confident78Confident124 Ų12480.7 Ų80.758%0.57944%0.441SS*.THydrogen-bonded Turntrans-60.5-24176.7-81-179.7136.600113.4G40 T41G40-E58 WeakPolarHBondContact CA-OE2 3.23Å; T41-E58 PolarHBondContact N-OE2 3.27Å; T41-E58 VanDerWaalsContact OG1-CD 3.26Å; T41-E58 PolarHBondContact OG1-OE1 3.13Å; T41-E58 PolarHBondContact OG1-OE2 3.08Å
59D76.6Confident76.7Confident50 Ų5081.7 Ų81.727%0.26745%0.446SS..THydrogen-bonded Turntrans-99.210.6176.769.1-23.9000113.3R38 S39 C57 S61R38-D59 VanDerWaalsContact C-OD2 3.29Å; R38-D59 VanDerWaalsContact CA-OD2 3.28Å; R38-D59 WeakPolarHBondContact CA-OD2 3.39Å; R38-D59 WeakPolarHBondContact CB-OD2 3.18Å; R38-D59 PolarHBondContact N-OD2 2.92Å; R38-D59 VanDerWaalsContact N-OD2 3.13Å; S39-D59 PolarHBondContact N-OD2 3.46Å; S39-D59 WeakPolarHBondContact O-CB 3.36Å; C57-D59 WeakPolarHBondContact CB-OD1 3.47Å; C57-D59 PolarHBondContact O-N 2.74Å; C57-D59 VanDerWaalsContact O-N 3.15Å; D59-S61 PolarHBondContact O-N 2.79Å; D59-S61 VanDerWaalsContact OD1-CB 3.27Å; D59-S61 WeakPolarHBondContact OD1-CB 3.15Å; D59-S61 PolarHBondContact OD1-N 3.3Å; D59-S61 PolarHBondContact OD1-OG 2.76Å; D59-S61 VanDerWaalsContact OD2-CB 3.3Å; D59-S61 WeakPolarHBondContact OD2-CB 3.49Å; D59-S61 PolarHBondContact OD2-OG 3.19Å; D59-S61 VanDerWaalsContact OD2-OG 3.13Å
60E76.7Confident74.8Confident129 Ų12982.4 Ų82.460%0.60346%0.464SS*.  trans53.921.6-179-47.9-175.7156.500113.1A55 C57 D62 E63 A64A55-E60 HydrophobicContact CB-CB 4.23Å; A55-E60 HydrophobicContact CB-CG 3.86Å; C57-E60 PolarHBondContact O-N 2.96Å; E60-D62 VanDerWaalsContact C-OD1 3.3Å; E60-D62 PolarHBondContact O-N 2.91Å; E60-E63 PolarHBondContact O-N 3.3Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E60-A64 PolarHBondContact O-N 2.77Å
61S80.4Confident73Confident11 Ų1182.3 Ų82.38%0.07748%0.481CS..THydrogen-bonded Turntrans-70.7-17.2-172.855.70000113.7F35 C37 R38 D59F35-S61 WeakPolarHBondContact CZ-O 3.28Å; C37-S61 WeakPolarHBondContact CA-OG 3.3Å; R38-S61 PolarHBondContact N-OG 2.93Å; D59-S61 PolarHBondContact O-N 2.79Å; D59-S61 VanDerWaalsContact OD1-CB 3.27Å; D59-S61 WeakPolarHBondContact OD1-CB 3.15Å; D59-S61 PolarHBondContact OD1-N 3.3Å; D59-S61 PolarHBondContact OD1-OG 2.76Å; D59-S61 VanDerWaalsContact OD2-CB 3.3Å; D59-S61 WeakPolarHBondContact OD2-CB 3.49Å; D59-S61 PolarHBondContact OD2-OG 3.19Å; D59-S61 VanDerWaalsContact OD2-OG 3.13Å
62D81.9Confident70.8Confident1 Ų189.6 Ų89.61%0.00551%0.51CS..THydrogen-bonded Turntrans-72.1-24.8172.252.8-31.3000113.9F35 I45 C51 T56 C57 E60F35-D62 HydrophobicContact CD1-CB 4.4Å; F35-D62 HydrophobicContact CE1-CB 4.24Å; I45-D62 HydrophobicContact CD1-CB 3.43Å; I45-D62 VanDerWaalsContact CD1-CB 3.43Å; C51-D62 PolarHBondContact N-O 2.85Å; T56-D62 VanDerWaalsContact CA-OD2 3.32Å; T56-D62 WeakPolarHBondContact CA-OD2 3.32Å; T56-D62 VanDerWaalsContact CB-OD2 3.23Å; T56-D62 WeakPolarHBondContact CB-OD2 3.27Å; T56-D62 PolarHBondContact N-OD2 3.01Å; C57-D62 HydrophobicContact CB-CB 4.41Å; C57-D62 VanDerWaalsContact CB-OD1 3.31Å; C57-D62 WeakPolarHBondContact CB-OD1 3.42Å; C57-D62 PolarHBondContact N-OD1 2.87Å; C57-D62 PolarHBondContact N-OD2 3.35Å; C57-D62 VanDerWaalsContact N-OD2 3.12Å; E60-D62 VanDerWaalsContact C-OD1 3.3Å; E60-D62 PolarHBondContact O-N 2.91Å
63E87.1Confident68.7Low52 Ų5290.5 Ų90.524%0.24353%0.527CS..THydrogen-bonded Turntrans-108.3-8.9-179.6-63.7-60.5133.500113C51 D52 G53 E60 N65C51-E63 WeakPolarHBondContact CA-OE1 3.19Å; C51-E63 PolarHBondContact N-OE1 3.39Å; D52-E63 PolarHBondContact N-OE1 2.82Å; G53-E63 PolarHBondContact N-OE1 3.04Å; G53-E63 PolarHBondContact N-OE2 3.27Å; E60-E63 PolarHBondContact O-N 3.3Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 2.98Å
64A75.9Confident67.2Low76 Ų7696 Ų9663%0.62854%0.537SS*.THydrogen-bonded Turntrans-76-8.9-171.700000115.9E60E60-A64 PolarHBondContact O-N 2.77Å
65N70.9Confident65.8Low145 Ų14592.1 Ų92.178%0.77554%0.537SS*.THydrogen-bonded Turntrans-148.548.6-177.6-162.821.3000113E63E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 2.98Å
66C79.8Confident63.6Low42 Ų4297.9 Ų97.928%0.28455%0.553SS.*  trans-83.2138.7179-63.50000111.7C51 E68C51-C66 WeakPolarHBondContact CA-SG 3.31Å; C51-C66 HydrophobicContact CB-CB 3.67Å; C51-C66 WeakPolarHBondContact CB-SG 3.23Å; C51-C66 WeakPolarHBondContact SG-CA 3.09Å; C51-C66 WeakPolarHBondContact SG-CB 3.09Å; C51-C66 CovalentContact SG-SG 2.01Å; C51-C66 PolarHBondContact SG-SG 3.12Å; C66-E68 PolarHBondContact O-N 3.05Å
67P75.8Confident61.5Low102 Ų102104.8 Ų104.866%0.66258%0.582SS**  trans-62.4128.2171.626-31.2000109.2V69P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 2.91Å
68E58Low59.5Low198 Ų198107.3 Ų107.393%0.92561%0.61SS**  trans-6294.3171.1-80.8-173.3156.900109.3C66C66-E68 PolarHBondContact O-N 3.05Å
69V52.9Low57.3Low124 Ų124111.5 Ų111.575%0.75263%0.626SS**  trans-91.3106.2169.2-174.30000107.5P67 G71P67-V69 VanDerWaalsContact C-N 3.33Å; P67-V69 PolarHBondContact O-N 2.91Å; V69-G71 PolarHBondContact O-N 2.69Å
70T42.1Very low55.4Low139 Ų139118.3 Ų118.385%0.85366%0.656SS**  trans-54.7130.3172.8-16.70000109.2
71G42Very low53.2Low66 Ų66116.5 Ų116.568%0.6866%0.663SS**  trans-66.3160.7-153.400000118.5V69V69-G71 PolarHBondContact O-N 2.69Å
72E35.8Very low50.9Low202 Ų202122.5 Ų122.594%0.94470%0.699SS**  -146143.4128.4-76.7-147145.300109.3
73A37.3Very low48.6Very low85 Ų85128.8 Ų128.870%0.70273%0.733SS**  trans-85.8132.3-17500000112.4
74H42.2Very low46.3Very low172 Ų172131.8 Ų131.880%0.79676%0.757SS**  trans64.4167.3148.6-72.678.5000118.5
75P44.8Very low44.3Very low114 Ų114138.4 Ų138.474%0.7477%0.765SS**  cis-137.1178.51.225.6-0.5000115.8
76H35.2Very low42.6Very low177 Ų177140.6 Ų140.682%0.81977%0.771SS**  trans-45.4143.2154.3-64.4-85.7000114.1
77H37.1Very low40.2Very low187 Ų187142 Ų14287%0.86679%0.792SS**  159.2130.7114.3-151.9-61.2000110.6
78G38.3Very low38.1Very low58 Ų58148.1 Ų148.160%0.59880%0.802SS**  trans-73.6169.5177.600000114.8
79K31.8Very low36.7Very low211 Ų211144.4 Ų144.492%0.91779%0.793SS**  trans-164.6135.7149.2-107178.5-173.5-1780112.1
80E36.7Very low35.7Very low193 Ų193150.4 Ų150.490%0.90280%0.803SS**  trans-57.1147.5165.2-80.5157.2104.700113.2
81A30.9Very low35Very low91 Ų91147.9 Ų147.975%0.75280%0.804SS**  trans-175123.6136.900000112.9
82V31.9Very low34.4Very low138 Ų138148.7 Ų148.784%0.83681%0.813SS**  trans80.6114.8139-177.50000119.5
83D34.4Very low34.1Very low133 Ų133146.4 Ų146.471%0.71181%0.807SS**  trans-60.5145.8163.1-166.20.9000111.9R85D83-R85 PolarHBondContact OD1-N 2.65Å
84P38.7Very low35Very low115 Ų115146.8 Ų146.875%0.74780%0.802SS**  -143.5123.711033.6-16.9000114.6
85R33.3Very low34.7Very low214 Ų214145.4 Ų145.481%0.80881%0.806SS**  trans42.4119.7139.1-64-173.1177.1-173.30.4117.8D83D83-R85 PolarHBondContact OD1-N 2.65Å
86Q35.2Very low34.2Very low191 Ų191146.3 Ų146.389%0.89380%0.8SS**  145.1121.8101.3-157.8143.914.300113.3
87G30.1Very low34.1Very low71 Ų71144.7 Ų144.773%0.73279%0.791SS**  trans134.595.1144.400000120.3
88R30.7Very low34.1Very low231 Ų231142.1 Ų142.187%0.87278%0.779SS**  trans74.7101.7133.3-94.5-179.6171.4164.8-2.7122.9
89T29.3Very low33.9Very low121 Ų121142.4 Ų142.474%0.74278%0.775SS**  63.2133117.755.30000124.3
90R30.9Very low34.1Very low250 Ų250139.5 Ų139.594%0.94378%0.775SS**  trans103.7119.9157.3-77-178164.6163.2-4.7113.2
91G29Very low33.9Very low85 Ų85137.1 Ų137.188%0.87677%0.768SS**  cis121.8106.120.800000108.2
92G28.3Very low34.1Very low84 Ų84138.7 Ų138.787%0.86677%0.769SS**  trans152.898.2173.600000114.4
93D29.2Very low34.3Very low154 Ų154136.7 Ų136.782%0.82477%0.767SS**  trans-103.4175161.7-170.740.4000107.5
94P56.6Low34.3Very low92 Ų92138.2 Ų138.260%0.59777%0.769SS**  cis-121.7159.6-32.219.21.1000112
95T35.9Very low34.2Very low144 Ų144138.2 Ų138.288%0.88377%0.769SS**  trans-170.694.7142.238.50000113.5
96H35.4Very low34.4Very low132 Ų132132.3 Ų132.361%0.61176%0.757SS**  40.3107.9122.1-141.8-100000122.2
97F33Very low34.6Very low144 Ų144134 Ų13463%0.63276%0.755SS**  trans75144.5131.1-69.6-144.9000118.8
98H36.9Very low35Very low133 Ų133134 Ų13462%0.61674%0.735SS**  cis-159.4162.712.7-119.8-37.6000111
99A34.6Very low35.3Very low63 Ų63127.3 Ų127.352%0.52172%0.724SS.*  trans-68.7156.8-17700000116.3
100V34.7Very low36Very low150 Ų150126.4 Ų126.491%0.90972%0.722SS**  trans-116.2102.2147.3179.60000106.5
101N33.5Very low36.5Very low143 Ų143121.3 Ų121.377%0.76571%0.714SS**  trans-81.4113.8-180-68.5-35.9000109.7
102V35.4Very low37.3Very low125 Ų125122 Ų12276%0.75870%0.697SS**  trans-79.5133.8143.1173.70000105.3Q104V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 2.9Å
103A35.9Very low38.2Very low96 Ų96127.1 Ų127.179%0.79369%0.69SS**  trans-60.296.717300000108.5
104Q33.9Very low39.8Very low165 Ų165124.4 Ų124.477%0.77167%0.671SS**  trans-64.1142.7162.4-73.6178.8-28.100106.9V102 V106V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 2.9Å; Q104-V106 PolarHBondContact O-N 2.92Å
105P36.7Very low40.3Very low114 Ų114120.7 Ų120.774%0.7465%0.647SS**  trans-53.8118.5159.923.9-30000105.5R107P105-R107 PolarHBondContact O-N 3.22Å
106V37.8Very low42Very low90 Ų90116.7 Ų116.755%0.54562%0.623SS.*  trans-62.395.8174.3-176.50000104.4Q104 F108Q104-V106 PolarHBondContact O-N 2.92Å; V106-F108 HydrophobicContact CG1-CD2 4.46Å; V106-F108 HydrophobicContact CG1-CE2 4.43Å; V106-F108 PolarHBondContact O-N 3.24Å
107R38.3Very low43.7Very low226 Ų226114.9 Ų114.985%0.85362%0.622SS**  trans-62.397.8160.5-78.3-171.7178.1154.90.5103.2P105 S109P105-R107 PolarHBondContact O-N 3.22Å; R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 2.75Å
108F38.4Very low45.7Very low71 Ų71110.5 Ų110.531%0.31162%0.617SS.*  trans-49.4109.6163.2-80.6-87.3000104.4V106 S110 L112 P287 P303V106-F108 HydrophobicContact CG1-CD2 4.46Å; V106-F108 HydrophobicContact CG1-CE2 4.43Å; V106-F108 PolarHBondContact O-N 3.24Å; F108-S110 PolarHBondContact O-N 3.13Å; F108-L112 HydrophobicContact CD1-CD2 4.47Å; F108-P287 HydrophobicContact CE1-CB 4.44Å; F108-P287 HydrophobicContact CZ-CB 4.17Å; F108-P287 HydrophobicContact CZ-CG 4.13Å; F108-P303 HydrophobicContact CD1-CG 4.47Å; F108-P303 HydrophobicContact CD2-CG 3.77Å; F108-P303 HydrophobicContact CE1-CG 4.03Å; F108-P303 HydrophobicContact CE2-CB 3.97Å; F108-P303 HydrophobicContact CE2-CG 3.25Å; F108-P303 HydrophobicContact CG-CG 4.36Å; F108-P303 HydrophobicContact CZ-CB 4.11Å; F108-P303 HydrophobicContact CZ-CG 3.4Å; F108-P303 VanDerWaalsContact CZ-CG 3.4Å
109S38.4Very low47.8Very low91 Ų91105.4 Ų105.464%0.63659%0.592SS**  trans-51.3138.3177.7-68.60000106R107 N111 L112R107-S109 VanDerWaalsContact C-N 3.28Å; R107-S109 PolarHBondContact O-N 2.75Å; S109-N111 PolarHBondContact O-N 3.02Å; S109-L112 PolarHBondContact O-N 3.13Å; S109-L112 VanDerWaalsContact O-N 3.16Å
110S43.9Very low50.1Low102 Ų102105 Ų10571%0.71358%0.58SS**THydrogen-bonded Turntrans-56.119.2179.848.70000115.5F108F108-S110 PolarHBondContact O-N 3.13Å
111N39.5Very low52.3Low143 Ų14399.9 Ų99.977%0.76555%0.546SS*.THydrogen-bonded Turntrans-125.214.2-179.2-66.7-23.6000112.8S109 R113S109-N111 PolarHBondContact O-N 3.02Å; N111-R113 PolarHBondContact O-N 2.57Å; N111-R113 VanDerWaalsContact O-N 3.09Å
112L46.8Very low54.4Low99 Ų9994.5 Ų94.552%0.51852%0.515SS..SBendtrans-63.3114.1159.1-157.377.4000105.8F108 S109 K114F108-L112 HydrophobicContact CD1-CD2 4.47Å; S109-L112 PolarHBondContact O-N 3.13Å; S109-L112 VanDerWaalsContact O-N 3.16Å; L112-K114 PolarHBondContact O-N 2.04Å
113R47.4Very low56.1Low192 Ų19295.1 Ų95.173%0.72551%0.509SS*.  trans-51.9100.7-168.5-147.3-178.9-142.7176.73109.6N111 C115N111-R113 PolarHBondContact O-N 2.57Å; N111-R113 VanDerWaalsContact O-N 3.09Å; R113-C115 PolarHBondContact O-N 2.72Å
114K63Low57.5Low98 Ų9893.4 Ų93.443%0.42650%0.501SS..SBendtrans-53.8-21.3-168.5-68.7-179.3169.6-176.70113.9L112 H121 E123 C128L112-K114 PolarHBondContact O-N 2.04Å; K114-H121 HydrophobicContact CB-CB 3.8Å; K114-H121 PolarHBondContact O-CD2 3.15Å; K114-E123 IonicContact NZ-OE1 2.7Å; K114-E123 PolarHBondContact NZ-OE1 3.21Å; K114-C128 PolarHBondContact O-SG 3.12Å
115C67.3Low59.1Low13 Ų1387.6 Ų87.69%0.08848%0.477CS..SBendtrans-152163.2158.9-62.80000109.9R113 W119 H121 C128R113-C115 PolarHBondContact O-N 2.72Å; C115-W119 HydrophobicContact CB-CB 3.49Å; C115-W119 VanDerWaalsContact CB-CB 3.49Å; C115-W119 HydrophobicContact CB-CG 4.48Å; C115-H121 VanDerWaalsContact SG-CA 3.57Å; C115-H121 VanDerWaalsContact SG-CB 3.56Å; C115-C128 HydrophobicContact CB-CB 3.9Å; C115-C128 WeakPolarHBondContact CB-SG 3.45Å; C115-C128 WeakPolarHBondContact SG-CA 3.45Å; C115-C128 WeakPolarHBondContact SG-CB 3.28Å; C115-C128 CovalentContact SG-SG 2.02Å; C115-C128 PolarHBondContact SG-SG 3.31Å
116P70.6Confident60.7Low60 Ų6083 Ų8339%0.3945%0.449SS..SBendtrans-51.4155.6164.9-29.137.9000113.1G118 W119P116-G118 PolarHBondContact O-N 3.23Å; P116-W119 WeakPolarHBondContact O-CB 3.32Å; P116-W119 PolarHBondContact O-N 2.89Å; P116-W119 VanDerWaalsContact O-N 3.12Å
117T72.3Confident62.6Low95 Ų9579 Ų7958%0.58342%0.424SS*.THydrogen-bonded Turntrans-56.4128.9-177.250.10000112
118G74.4Confident64.8Low51 Ų5168.4 Ų68.453%0.52639%0.385SS..THydrogen-bonded Turntrans87.210.7-177.800000114.9P116 R130P116-G118 PolarHBondContact O-N 3.23Å; G118-R130 VanDerWaalsContact O-CD 3.25Å; G118-R130 WeakPolarHBondContact O-CD 3.43Å; G118-R130 WeakPolarHBondContact O-CG 3.32Å
119W81.8Confident67.1Low26 Ų2665 Ų6510%0.09837%0.37CS..  trans-112.3140.9172.4-67.475.3000110.5C115 P116 C128 Y129 R130 L148 C265 R267C115-W119 HydrophobicContact CB-CB 3.49Å; C115-W119 VanDerWaalsContact CB-CB 3.49Å; C115-W119 HydrophobicContact CB-CG 4.48Å; P116-W119 WeakPolarHBondContact O-CB 3.32Å; P116-W119 PolarHBondContact O-N 2.89Å; P116-W119 VanDerWaalsContact O-N 3.12Å; W119-C128 HydrophobicContact CB-CB 4.36Å; W119-C128 HydrophobicContact CD2-CB 4.44Å; W119-C128 HydrophobicContact CE3-CB 3.81Å; W119-Y129 CarbonylContact C-O 3.48Å; W119-Y129 WeakPolarHBondContact CA-O 3.22Å; W119-Y129 VanDerWaalsContact CE3-C 3.46Å; W119-R130 HydrophobicContact CD2-CB 3.55Å; W119-R130 HydrophobicContact CD2-CG 4.47Å; W119-R130 HydrophobicContact CE3-CB 3.54Å; W119-R130 HydrophobicContact CG-CB 4.1Å; W119-R130 HydrophobicContact CH2-CB 4.12Å; W119-R130 HydrophobicContact CZ2-CB 4.13Å; W119-R130 HydrophobicContact CZ3-CB 3.83Å; W119-L148 HydrophobicContact CZ2-CB 4.26Å; W119-C265 HydrophobicContact CH2-CB 3.81Å; W119-C265 HydrophobicContact CZ3-CB 4.15Å; W119-R267 HydrophobicContact CH2-CB 4.38Å; W119-R267 HydrophobicContact CZ3-CB 4.04Å
120H82.2Confident69.5Low56 Ų5664.6 Ų64.626%0.25936%0.355SS..EExtended strand (participates in β ladder)trans-92.9127.9176.3-64.7-82000110C128 Y129 F163 Q167H120-C128 CarbonylContact O-C 3.56Å; H120-C128 WeakPolarHBondContact O-CA 3.36Å; H120-Y129 PolarHBondContact N-O 2.92Å; H120-Y129 PolarHBondContact O-N 3.27Å; H120-F163 HydrophobicContact CB-CE1 4.29Å; H120-F163 HydrophobicContact CB-CZ 4.02Å; H120-Q167 VanDerWaalsContact CE1-CD 3.45Å; H120-Q167 PolarHBondContact CE1-NE2 3.01Å; H120-Q167 VanDerWaalsContact ND1-CD 3.26Å; H120-Q167 PolarHBondContact ND1-NE2 3.34Å
121H80.4Confident71.6Confident42 Ų4260.7 Ų60.719%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-93.5128.5-179.9176.1-105.6000111.1K114 C115 F163K114-H121 HydrophobicContact CB-CB 3.8Å; K114-H121 PolarHBondContact O-CD2 3.15Å; C115-H121 VanDerWaalsContact SG-CA 3.57Å; C115-H121 VanDerWaalsContact SG-CB 3.56Å; H121-F163 WeakPolarHBondContact O-CZ 3.44Å
122Y78.6Confident73.8Confident30 Ų3055.6 Ų55.612%0.11830%0.296CS..EExtended strand (participates in β ladder)trans-104.7117.3169.5-178.4-111.2000110.2G124 T125 A126 S127 Q159 E160 F163Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 3.27Å; Y122-T125 HydrophobicContact CD1-CG2 4.34Å; Y122-T125 VanDerWaalsContact CD1-OG1 3.32Å; Y122-T125 WeakPolarHBondContact CD1-OG1 3.49Å; Y122-T125 HydrophobicContact CE1-CG2 4.07Å; Y122-A126 WeakPolarHBondContact O-CA 3.45Å; Y122-A126 PolarHBondContact O-N 3.05Å; Y122-A126 VanDerWaalsContact O-N 3.16Å; Y122-S127 PolarHBondContact N-O 2.88Å; Y122-S127 PolarHBondContact O-N 3.43Å; Y122-Q159 WeakPolarHBondContact OH-CB 3.4Å; Y122-E160 HydrophobicContact CD1-CB 4.24Å; Y122-E160 HydrophobicContact CD1-CG 3.97Å; Y122-E160 HydrophobicContact CE1-CB 3.85Å; Y122-E160 HydrophobicContact CE1-CG 4.09Å; Y122-F163 HydrophobicContact CD2-CB 3.55Å; Y122-F163 AromaticContact CD2-CD1 3.8Å; Y122-F163 HydrophobicContact CD2-CD1 3.8Å; Y122-F163 AromaticContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CE1 4.41Å; Y122-F163 HydrophobicContact CD2-CE2 4.32Å; Y122-F163 AromaticContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CE2-CB 3.73Å; Y122-F163 HydrophobicContact CE2-CD2 4.43Å; Y122-F163 HydrophobicContact CE2-CG 4.09Å; Y122-F163 HydrophobicContact CG-CB 4.45Å; Y122-F163 HydrophobicContact CG-CD1 4.07Å; Y122-F163 HydrophobicContact CG-CE1 4.49Å; Y122-F163 HydrophobicContact CG-CG 4.14Å
123E69.4Low75.6Confident138 Ų13855.6 Ų55.665%0.64530%0.296SS*.THydrogen-bonded Turntrans-69.5-25.4-173.6-55.5-167.2146.400113.4K114K114-E123 IonicContact NZ-OE1 2.7Å; K114-E123 PolarHBondContact NZ-OE1 3.21Å
124G66.8Low77.1Confident60 Ų6048.8 Ų48.862%0.61928%0.279SS*.THydrogen-bonded Turntrans-71-32.4-174.800000114.6Y122Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 3.27Å
125T66.6Low78.2Confident43 Ų4346.3 Ų46.326%0.26428%0.28SS..THydrogen-bonded Turntrans-124.513.9-179.660.10000111.9Y122 S127 S156 E160Y122-T125 HydrophobicContact CD1-CG2 4.34Å; Y122-T125 VanDerWaalsContact CD1-OG1 3.32Å; Y122-T125 WeakPolarHBondContact CD1-OG1 3.49Å; Y122-T125 HydrophobicContact CE1-CG2 4.07Å; T125-S127 PolarHBondContact O-N 3.2Å; T125-S127 VanDerWaalsContact O-N 3.11Å; T125-S127 PolarHBondContact O-OG 3.48Å; T125-S127 VanDerWaalsContact O-OG 3.05Å; T125-S127 VanDerWaalsContact OG1-CB 3.28Å; T125-S127 WeakPolarHBondContact OG1-CB 3.29Å; T125-S127 PolarHBondContact OG1-OG 3.07Å; T125-S127 VanDerWaalsContact OG1-OG 3.12Å; T125-S156 WeakPolarHBondContact CG2-OG 3.11Å; T125-E160 PolarHBondContact OG1-OE1 3.05Å
126A69.9Low79.2Confident18 Ų1847.7 Ų47.715%0.14929%0.286CS..THydrogen-bonded Turntrans44.247-173.900000110.9Y122 Q269 G300Y122-A126 WeakPolarHBondContact O-CA 3.45Å; Y122-A126 PolarHBondContact O-N 3.05Å; Y122-A126 VanDerWaalsContact O-N 3.16Å; A126-Q269 HydrophobicContact CB-CB 4.05Å; A126-Q269 WeakPolarHBondContact O-CA 3.4Å; A126-Q269 WeakPolarHBondContact O-CB 3.07Å; A126-Q269 PolarHBondContact O-N 3.39Å; A126-G300 WeakPolarHBondContact CB-O 3.34Å
127S79.1Confident80.2Confident4 Ų446.5 Ų46.53%0.02828%0.276CS..EExtended strand (participates in β ladder)trans-113.7136.6-172.1-74.10000111Y122 T125 K266Y122-S127 PolarHBondContact N-O 2.88Å; Y122-S127 PolarHBondContact O-N 3.43Å; T125-S127 PolarHBondContact O-N 3.2Å; T125-S127 VanDerWaalsContact O-N 3.11Å; T125-S127 PolarHBondContact O-OG 3.48Å; T125-S127 VanDerWaalsContact O-OG 3.05Å; T125-S127 VanDerWaalsContact OG1-CB 3.28Å; T125-S127 WeakPolarHBondContact OG1-CB 3.29Å; T125-S127 PolarHBondContact OG1-OG 3.07Å; T125-S127 VanDerWaalsContact OG1-OG 3.12Å; S127-K266 VanDerWaalsContact OG-CE 3.26Å; S127-K266 WeakPolarHBondContact OG-CE 3.06Å
128C84.8Confident81Confident4 Ų442 Ų423%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-99.7131.9178.4-66.90000110.8K114 C115 W119 H120 K266 R267K114-C128 PolarHBondContact O-SG 3.12Å; C115-C128 HydrophobicContact CB-CB 3.9Å; C115-C128 WeakPolarHBondContact CB-SG 3.45Å; C115-C128 WeakPolarHBondContact SG-CA 3.45Å; C115-C128 WeakPolarHBondContact SG-CB 3.28Å; C115-C128 CovalentContact SG-SG 2.02Å; C115-C128 PolarHBondContact SG-SG 3.31Å; W119-C128 HydrophobicContact CB-CB 4.36Å; W119-C128 HydrophobicContact CD2-CB 4.44Å; W119-C128 HydrophobicContact CE3-CB 3.81Å; H120-C128 CarbonylContact O-C 3.56Å; H120-C128 WeakPolarHBondContact O-CA 3.36Å; C128-K266 CarbonylContact O-C 3.46Å; C128-K266 WeakPolarHBondContact O-CA 3.36Å; C128-R267 HydrophobicContact CB-CB 4.3Å; C128-R267 WeakPolarHBondContact CB-O 3.46Å; C128-R267 PolarHBondContact N-O 3.35Å; C128-R267 PolarHBondContact O-N 2.76Å
129Y86.8Confident81.7Confident0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-122143.8179.6-69.3-85000113W119 H120 A153 F155 E160 F163 V164 L264 C265 K266W119-Y129 CarbonylContact C-O 3.48Å; W119-Y129 WeakPolarHBondContact CA-O 3.22Å; W119-Y129 VanDerWaalsContact CE3-C 3.46Å; H120-Y129 PolarHBondContact N-O 2.92Å; H120-Y129 PolarHBondContact O-N 3.27Å; Y129-A153 HydrophobicContact CD1-CB 4.3Å; Y129-A153 HydrophobicContact CE1-CB 4.04Å; Y129-F155 HydrophobicContact CE1-CE1 4.24Å; Y129-E160 HydrophobicContact CE2-CG 4.1Å; Y129-E160 WeakPolarHBondContact OH-CG 3.34Å; Y129-E160 PolarHBondContact OH-OE1 2.8Å; Y129-F163 HydrophobicContact CD2-CD1 4.38Å; Y129-F163 HydrophobicContact CD2-CE1 4.06Å; Y129-V164 HydrophobicContact CD1-CG2 3.92Å; Y129-V164 HydrophobicContact CD2-CG2 4.3Å; Y129-V164 HydrophobicContact CE1-CG2 4.03Å; Y129-V164 HydrophobicContact CE2-CG2 4.42Å; Y129-V164 HydrophobicContact CG-CG2 4.03Å; Y129-L264 HydrophobicContact CD1-CD1 4.27Å; Y129-L264 HydrophobicContact CD1-CD2 4.3Å; Y129-L264 HydrophobicContact CD1-CG 4.35Å; Y129-C265 WeakPolarHBondContact CA-O 3.29Å; Y129-K266 HydrophobicContact CD1-CB 4.08Å; Y129-K266 HydrophobicContact CD1-CG 4.37Å; Y129-K266 HydrophobicContact CE1-CB 3.72Å; Y129-K266 HydrophobicContact CE1-CD 3.87Å; Y129-K266 HydrophobicContact CE1-CG 3.75Å; Y129-K266 WeakPolarHBondContact OH-CD 3.2Å; Y129-K266 WeakPolarHBondContact OH-CE 3.07Å; Y129-K266 PolarHBondContact OH-NZ 2.78Å
130R87.4Confident82.2Confident83 Ų8347.6 Ų47.631%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-150.3133.5172.9-176.9170.7178.9-175.46.5111.2G118 W119 Y132 C265G118-R130 VanDerWaalsContact O-CD 3.25Å; G118-R130 WeakPolarHBondContact O-CD 3.43Å; G118-R130 WeakPolarHBondContact O-CG 3.32Å; W119-R130 HydrophobicContact CD2-CB 3.55Å; W119-R130 HydrophobicContact CD2-CG 4.47Å; W119-R130 HydrophobicContact CE3-CB 3.54Å; W119-R130 HydrophobicContact CG-CB 4.1Å; W119-R130 HydrophobicContact CH2-CB 4.12Å; W119-R130 HydrophobicContact CZ2-CB 4.13Å; W119-R130 HydrophobicContact CZ3-CB 3.83Å; R130-Y132 HydrophobicContact CB-CE2 4.1Å; R130-Y132 VanDerWaalsContact CD-OH 3.29Å; R130-Y132 WeakPolarHBondContact CD-OH 3.32Å; R130-Y132 HydrophobicContact CG-CD2 4.31Å; R130-Y132 HydrophobicContact CG-CE2 3.72Å; R130-Y132 PolarHBondContact NE-OH 2.7Å; R130-Y132 PolarHBondContact NH1-OH 2.66Å; R130-Y132 VanDerWaalsContact NH1-OH 3.11Å; R130-C265 PolarHBondContact N-O 2.72Å; R130-C265 PolarHBondContact O-N 3.25Å
131V88Confident82.7Confident19 Ų1944.9 Ų44.912%0.11525%0.247CC..EExtended strand (participates in β ladder)trans-91.4140.4171.5163.60000110.2L133 W169 L184 F263 L264V131-L133 HydrophobicContact CG1-CD2 3.78Å; V131-L133 HydrophobicContact CG1-CG 4.4Å; V131-W169 HydrophobicContact CB-CB 4.1Å; V131-W169 HydrophobicContact CB-CD2 3.92Å; V131-W169 HydrophobicContact CB-CE3 3.42Å; V131-W169 VanDerWaalsContact CB-CE3 3.42Å; V131-W169 HydrophobicContact CB-CG 4.24Å; V131-W169 HydrophobicContact CB-CZ3 4.11Å; V131-W169 HydrophobicContact CG1-CB 4.36Å; V131-W169 HydrophobicContact CG2-CB 4.19Å; V131-W169 HydrophobicContact CG2-CD2 3.31Å; V131-W169 HydrophobicContact CG2-CE3 3.07Å; V131-W169 HydrophobicContact CG2-CG 3.83Å; V131-W169 HydrophobicContact CG2-CH2 4.23Å; V131-W169 HydrophobicContact CG2-CZ2 4.45Å; V131-W169 HydrophobicContact CG2-CZ3 3.55Å; V131-L184 HydrophobicContact CG1-CD2 3.86Å; V131-L184 HydrophobicContact CG2-CD1 3.89Å; V131-L184 HydrophobicContact CG2-CD2 4.03Å; V131-F263 WeakPolarHBondContact CA-O 3.4Å; V131-L264 HydrophobicContact CG2-CB 4.31Å; V131-L264 HydrophobicContact CG2-CD1 3.51Å; V131-L264 HydrophobicContact CG2-CG 4.49Å
132Y87.1Confident83Confident36 Ų3643 Ų4314%0.14124%0.239CC..EExtended strand (participates in β ladder)trans-116.1122.8170.6-70.1-90.6000108.5R130 S134 L148 S262 F263 C265R130-Y132 HydrophobicContact CB-CE2 4.1Å; R130-Y132 VanDerWaalsContact CD-OH 3.29Å; R130-Y132 WeakPolarHBondContact CD-OH 3.32Å; R130-Y132 HydrophobicContact CG-CD2 4.31Å; R130-Y132 HydrophobicContact CG-CE2 3.72Å; R130-Y132 PolarHBondContact NE-OH 2.7Å; R130-Y132 PolarHBondContact NH1-OH 2.66Å; R130-Y132 VanDerWaalsContact NH1-OH 3.11Å; Y132-S134 VanDerWaalsContact C-N 3.28Å; Y132-L148 HydrophobicContact CE1-CD1 4.19Å; Y132-L148 HydrophobicContact CE2-CD1 3.71Å; Y132-L148 WeakPolarHBondContact OH-CD1 3.41Å; Y132-S262 WeakPolarHBondContact O-CA 3.11Å; Y132-S262 WeakPolarHBondContact O-CB 3.33Å; Y132-F263 VanDerWaalsContact CB-CE2 3.45Å; Y132-F263 HydrophobicContact CD1-CZ 4.41Å; Y132-F263 HydrophobicContact CD2-CD2 4.1Å; Y132-F263 AromaticContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CZ 4.18Å; Y132-F263 HydrophobicContact CG-CD2 4.34Å; Y132-F263 AromaticContact CG-CE2 3.61Å; Y132-F263 HydrophobicContact CG-CE2 3.61Å; Y132-F263 AromaticContact CG-CZ 3.72Å; Y132-F263 HydrophobicContact CG-CZ 3.72Å; Y132-F263 PolarHBondContact N-O 2.78Å; Y132-F263 PolarHBondContact O-N 2.84Å; Y132-C265 HydrophobicContact CD2-CB 4.48Å; Y132-C265 HydrophobicContact CE2-CB 4.21Å
133L84.4Confident83.5Confident99 Ų9946.7 Ų46.752%0.51826%0.257SS..EExtended strand (participates in β ladder)trans-85.40.3-179.3-59.2177.5000112.8V131 G135V131-L133 HydrophobicContact CG1-CD2 3.78Å; V131-L133 HydrophobicContact CG1-CG 4.4Å; L133-G135 PolarHBondContact O-N 2.82Å
134S79.2Confident84.5Confident50 Ų5041.5 Ų41.535%0.3524%0.235SC..EExtended strand (participates in β ladder)trans-64.9123.8171.545.80000109Y132 E136 F263Y132-S134 VanDerWaalsContact C-N 3.28Å; S134-E136 WeakPolarHBondContact CB-OE1 3.02Å; S134-E136 PolarHBondContact O-N 3.12Å; S134-E136 PolarHBondContact OG-OE1 2.83Å; S134-F263 VanDerWaalsContact OG-CE1 3.3Å; S134-F263 WeakPolarHBondContact OG-CE1 3.33Å
135G84.4Confident85.5Confident45 Ų4538.6 Ų38.646%0.46421%0.205SC..EExtended strand (participates in β ladder)trans-73.194.8174.900000109.9L133L133-G135 PolarHBondContact O-N 2.82Å
136E88.5Confident86.4Confident42 Ų4240.9 Ų40.920%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-113.6157.1-179.9-74.2171.7-144.600110.2S134 D140 A141 T144 W185 K260 S261 F263S134-E136 WeakPolarHBondContact CB-OE1 3.02Å; S134-E136 PolarHBondContact O-N 3.12Å; S134-E136 PolarHBondContact OG-OE1 2.83Å; E136-D140 HydrophobicContact CB-CB 4.35Å; E136-A141 HydrophobicContact CB-CB 4.25Å; E136-T144 PolarHBondContact OE2-OG1 2.83Å; E136-W185 PolarHBondContact O-NE1 3.28Å; E136-K260 WeakPolarHBondContact O-CA 3.48Å; E136-S261 PolarHBondContact N-O 3.31Å; E136-S261 VanDerWaalsContact N-O 3.12Å; E136-S261 PolarHBondContact O-N 3.09Å; E136-F263 HydrophobicContact CB-CD1 4.25Å; E136-F263 HydrophobicContact CB-CE1 4Å; E136-F263 VanDerWaalsContact CD-CE1 3.48Å; E136-F263 HydrophobicContact CG-CE1 4.07Å
137N91.7Very high87.1Confident36 Ų3648.7 Ų48.719%0.19324%0.238CC..  trans-72.8167.5169.468.240.3000109.7W139 D140 A141 E259N137-W139 VanDerWaalsContact C-N 3.33Å; N137-W139 PolarHBondContact O-N 2.82Å; N137-W139 PolarHBondContact OD1-N 3.21Å; N137-D140 VanDerWaalsContact CG-CG 3.44Å; N137-D140 VanDerWaalsContact CG-OD2 3.24Å; N137-D140 PolarHBondContact ND2-OD2 3.46Å; N137-D140 WeakPolarHBondContact OD1-CA 3.43Å; N137-D140 WeakPolarHBondContact OD1-CB 3.12Å; N137-D140 PolarHBondContact OD1-N 3.32Å; N137-D140 PolarHBondContact OD1-OD1 3.33Å; N137-D140 PolarHBondContact OD1-OD2 2.83Å; N137-A141 VanDerWaalsContact O-CB 3.22Å; N137-A141 WeakPolarHBondContact O-CB 3.37Å; N137-A141 PolarHBondContact O-N 2.86Å; N137-E259 WeakPolarHBondContact CA-O 3.47Å
138Y90.1Very high87.2Confident0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-58.7-43.8-175-175.1-97.4000113.2A141 A142 L152 W185 V186 A206 C233 C257Y138-A141 PolarHBondContact O-N 3.12Å; Y138-A142 WeakPolarHBondContact O-CB 3.27Å; Y138-A142 PolarHBondContact O-N 2.03Å; Y138-L152 HydrophobicContact CD1-CD1 4.45Å; Y138-L152 HydrophobicContact CD2-CD1 4.08Å; Y138-L152 HydrophobicContact CE1-CD1 3.97Å; Y138-L152 HydrophobicContact CE2-CD1 3.59Å; Y138-L152 HydrophobicContact CG-CD1 4.5Å; Y138-W185 HydrophobicContact CD2-CB 4.37Å; Y138-W185 AromaticContact CD2-CD2 3.99Å; Y138-W185 HydrophobicContact CD2-CD2 3.99Å; Y138-W185 AromaticContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CG 4.31Å; Y138-W185 HydrophobicContact CD2-CZ3 4.28Å; Y138-W185 HydrophobicContact CE2-CE3 4.39Å; Y138-V186 VanDerWaalsContact CE2-O 3.29Å; Y138-V186 WeakPolarHBondContact CE2-O 3.18Å; Y138-V186 PolarHBondContact OH-O 2.64Å; Y138-A206 HydrophobicContact CE1-CB 4.05Å; Y138-A206 WeakPolarHBondContact OH-CB 3.48Å; Y138-C233 HydrophobicContact CD1-CB 4.45Å; Y138-C233 WeakPolarHBondContact CD1-SG 3.47Å; Y138-C233 HydrophobicContact CD2-CB 3.52Å; Y138-C233 VanDerWaalsContact CD2-SG 3.59Å; Y138-C233 HydrophobicContact CE2-CB 3.89Å; Y138-C233 HydrophobicContact CG-CB 3.8Å; Y138-C257 WeakPolarHBondContact CB-O 3.37Å; Y138-C257 PolarHBondContact N-O 3.39Å; Y138-C257 VanDerWaalsContact N-O 3.09Å
139W89.8Confident86.8Confident118 Ų11855.6 Ų55.645%0.44728%0.275SS..Hα-helixtrans-73.1-41.3-174.8-55.6109.9000112.4N137 A142 Q143N137-W139 VanDerWaalsContact C-N 3.33Å; N137-W139 PolarHBondContact O-N 2.82Å; N137-W139 PolarHBondContact OD1-N 3.21Å; W139-A142 WeakPolarHBondContact O-CB 3.5Å; W139-A142 PolarHBondContact O-N 3.41Å; W139-Q143 PolarHBondContact O-N 3.32Å
140D91.9Very high86.6Confident76 Ų7656.5 Ų56.541%0.40628%0.283SS..Hα-helixtrans-63.7-44.4174-66.7-14.3000109.6E136 N137 A142 Q143 T144E136-D140 HydrophobicContact CB-CB 4.35Å; N137-D140 VanDerWaalsContact CG-CG 3.44Å; N137-D140 VanDerWaalsContact CG-OD2 3.24Å; N137-D140 PolarHBondContact ND2-OD2 3.46Å; N137-D140 WeakPolarHBondContact OD1-CA 3.43Å; N137-D140 WeakPolarHBondContact OD1-CB 3.12Å; N137-D140 PolarHBondContact OD1-N 3.32Å; N137-D140 PolarHBondContact OD1-OD1 3.33Å; N137-D140 PolarHBondContact OD1-OD2 2.83Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.91Å; D140-Q143 PolarHBondContact O-N 2.51Å; D140-T144 WeakPolarHBondContact O-CB 3.33Å; D140-T144 PolarHBondContact O-N 3.24Å; D140-T144 PolarHBondContact O-OG1 3.22Å
141A91.1Very high86.6Confident0 Ų054.4 Ų54.40%028%0.282CS..Hα-helixtrans-60.3-42.9175.300000111.9E136 N137 Y138 T144 C145 L152 F263E136-A141 HydrophobicContact CB-CB 4.25Å; N137-A141 VanDerWaalsContact O-CB 3.22Å; N137-A141 WeakPolarHBondContact O-CB 3.37Å; N137-A141 PolarHBondContact O-N 2.86Å; Y138-A141 PolarHBondContact O-N 3.12Å; A141-T144 PolarHBondContact O-N 3Å; A141-C145 PolarHBondContact O-N 3.22Å; A141-C145 PolarHBondContact O-SG 2.83Å; A141-C145 VanDerWaalsContact O-SG 3.37Å; A141-L152 HydrophobicContact CB-CD2 4.33Å; A141-F263 HydrophobicContact CB-CB 3.77Å; A141-F263 HydrophobicContact CB-CD1 3.69Å; A141-F263 HydrophobicContact CB-CD2 3.99Å; A141-F263 HydrophobicContact CB-CE1 4.2Å; A141-F263 HydrophobicContact CB-CE2 4.47Å; A141-F263 HydrophobicContact CB-CG 3.56Å
142A88.4Confident86.7Confident3 Ų353.6 Ų53.63%0.02528%0.277CS..Hα-helixtrans-59.8-46174.500000112Y138 W139 D140 T144 C145 Q146 L152 F207Y138-A142 WeakPolarHBondContact O-CB 3.27Å; Y138-A142 PolarHBondContact O-N 2.03Å; W139-A142 WeakPolarHBondContact O-CB 3.5Å; W139-A142 PolarHBondContact O-N 3.41Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.91Å; A142-T144 VanDerWaalsContact C-N 3.33Å; A142-T144 PolarHBondContact O-N 2.76Å; A142-C145 PolarHBondContact O-N 3.03Å; A142-Q146 VanDerWaalsContact O-CG 3.31Å; A142-Q146 WeakPolarHBondContact O-CG 3.4Å; A142-Q146 PolarHBondContact O-N 2.78Å; A142-L152 HydrophobicContact CB-CD1 3.66Å; A142-L152 HydrophobicContact CB-CG 4.15Å; A142-F207 HydrophobicContact CB-CE2 3.83Å; A142-F207 HydrophobicContact CB-CZ 4.25Å
143Q88.9Confident86.8Confident107 Ų10751.9 Ų51.950%0.527%0.27SS..Hα-helixtrans-65.4-37.1177.5-165.6-177.918.900111.9W139 D140 Q146 R147W139-Q143 PolarHBondContact O-N 3.32Å; D140-Q143 PolarHBondContact O-N 2.51Å; Q143-Q146 WeakPolarHBondContact O-CB 3.41Å; Q143-Q146 PolarHBondContact O-N 3.01Å; Q143-R147 PolarHBondContact O-N 2.77Å
144T89.3Confident86.9Confident28 Ų2848.4 Ų48.417%0.17225%0.253CS..Hα-helixtrans-62.7-45.9174.5-63.70000110.7E136 D140 A141 A142 Q146 R147 L148 F263E136-T144 PolarHBondContact OE2-OG1 2.83Å; D140-T144 WeakPolarHBondContact O-CB 3.33Å; D140-T144 PolarHBondContact O-N 3.24Å; D140-T144 PolarHBondContact O-OG1 3.22Å; A141-T144 PolarHBondContact O-N 3Å; A142-T144 VanDerWaalsContact C-N 3.33Å; A142-T144 PolarHBondContact O-N 2.76Å; T144-Q146 VanDerWaalsContact C-N 3.34Å; T144-Q146 PolarHBondContact O-N 2.99Å; T144-R147 PolarHBondContact O-N 2.83Å; T144-L148 HydrophobicContact CG2-CD1 4.28Å; T144-L148 WeakPolarHBondContact O-CD1 3.43Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 2.95Å; T144-F263 HydrophobicContact CG2-CE2 3.97Å; T144-F263 HydrophobicContact CG2-CZ 3.75Å
145C87.4Confident87.1Confident0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-63.2-38.9174.6-62.80000112.3A141 A142 R147 L148 G150 C265A141-C145 PolarHBondContact O-N 3.22Å; A141-C145 PolarHBondContact O-SG 2.83Å; A141-C145 VanDerWaalsContact O-SG 3.37Å; A142-C145 PolarHBondContact O-N 3.03Å; C145-R147 PolarHBondContact O-N 3.16Å; C145-L148 CarbonylContact O-C 3.41Å; C145-L148 WeakPolarHBondContact O-CA 3.37Å; C145-L148 WeakPolarHBondContact O-CB 3.39Å; C145-L148 PolarHBondContact O-N 3.4Å; C145-G150 CarbonylContact C-O 3.51Å; C145-G150 VanDerWaalsContact C-O 3.3Å; C145-G150 CarbonylContact O-C 3.49Å; C145-G150 PolarHBondContact O-N 3.25Å; C145-G150 VanDerWaalsContact O-O 3.09Å; C145-C265 VanDerWaalsContact CA-SG 3.51Å; C145-C265 HydrophobicContact CB-CB 3.87Å; C145-C265 WeakPolarHBondContact CB-SG 3.45Å; C145-C265 VanDerWaalsContact SG-CA 3.51Å; C145-C265 WeakPolarHBondContact SG-CB 3.5Å; C145-C265 CovalentContact SG-SG 2.04Å; C145-C265 PolarHBondContact SG-SG 2.76Å
146Q85.9Confident86.7Confident90 Ų9046.1 Ų46.142%0.42123%0.229SC..Hα-helixtrans-61.3-41.9175-75.1174.5-5.700112.4A142 Q143 T144 L148 N149 G150A142-Q146 VanDerWaalsContact O-CG 3.31Å; A142-Q146 WeakPolarHBondContact O-CG 3.4Å; A142-Q146 PolarHBondContact O-N 2.78Å; Q143-Q146 WeakPolarHBondContact O-CB 3.41Å; Q143-Q146 PolarHBondContact O-N 3.01Å; T144-Q146 VanDerWaalsContact C-N 3.34Å; T144-Q146 PolarHBondContact O-N 2.99Å; Q146-L148 PolarHBondContact O-N 2.69Å; Q146-L148 VanDerWaalsContact O-N 3.14Å; Q146-N149 PolarHBondContact O-N 3.03Å; Q146-G150 VanDerWaalsContact CA-O 3.23Å; Q146-G150 WeakPolarHBondContact CA-O 3.46Å; Q146-G150 PolarHBondContact N-O 3.05Å
147R84.6Confident86.1Confident182 Ų18246.5 Ų46.569%0.68724%0.235SC*.Hα-helixtrans-61.5-21.4174.6-167.2-178.4-63147.94.6112.7Q143 T144 C145 N149Q143-R147 PolarHBondContact O-N 2.77Å; T144-R147 PolarHBondContact O-N 2.83Å; C145-R147 PolarHBondContact O-N 3.16Å; R147-N149 VanDerWaalsContact C-N 3.33Å
148L81.9Confident85.5Confident51 Ų5148.1 Ų48.127%0.26724%0.243SC..THydrogen-bonded Turntrans-9516.7178.5-62.8162.7000112.9W119 Y132 T144 C145 Q146 G150 R267W119-L148 HydrophobicContact CZ2-CB 4.26Å; Y132-L148 HydrophobicContact CE1-CD1 4.19Å; Y132-L148 HydrophobicContact CE2-CD1 3.71Å; Y132-L148 WeakPolarHBondContact OH-CD1 3.41Å; T144-L148 HydrophobicContact CG2-CD1 4.28Å; T144-L148 WeakPolarHBondContact O-CD1 3.43Å; T144-L148 WeakPolarHBondContact O-CG 3.38Å; T144-L148 PolarHBondContact O-N 2.95Å; C145-L148 CarbonylContact O-C 3.41Å; C145-L148 WeakPolarHBondContact O-CA 3.37Å; C145-L148 WeakPolarHBondContact O-CB 3.39Å; C145-L148 PolarHBondContact O-N 3.4Å; Q146-L148 PolarHBondContact O-N 2.69Å; Q146-L148 VanDerWaalsContact O-N 3.14Å; L148-G150 VanDerWaalsContact C-N 3.27Å; L148-G150 PolarHBondContact O-N 3.03Å; L148-R267 PolarHBondContact O-NH1 3.33Å
149N76.4Confident84.9Confident103 Ų10353.8 Ų53.855%0.55127%0.27SS*.THydrogen-bonded Turntrans56.338.9-174.8-62.4-10.1000112.6Q146 R147 R267Q146-N149 PolarHBondContact O-N 3.03Å; R147-N149 VanDerWaalsContact C-N 3.33Å; N149-R267 WeakPolarHBondContact O-CD 3.38Å; N149-R267 WeakPolarHBondContact O-CG 3.02Å
150G82.8Confident84.6Confident18 Ų1848.1 Ų48.119%0.18625%0.249CC..  trans-142.4-168.6176.700000111.8C145 Q146 L148 K266C145-G150 CarbonylContact C-O 3.51Å; C145-G150 VanDerWaalsContact C-O 3.3Å; C145-G150 CarbonylContact O-C 3.49Å; C145-G150 PolarHBondContact O-N 3.25Å; C145-G150 VanDerWaalsContact O-O 3.09Å; Q146-G150 VanDerWaalsContact CA-O 3.23Å; Q146-G150 WeakPolarHBondContact CA-O 3.46Å; Q146-G150 PolarHBondContact N-O 3.05Å; L148-G150 VanDerWaalsContact C-N 3.27Å; L148-G150 PolarHBondContact O-N 3.03Å; G150-K266 CarbonylContact C-O 3.39Å; G150-K266 WeakPolarHBondContact CA-O 3.31Å
151S86.7Confident84.2Confident40 Ų4044.9 Ų44.928%0.2823%0.231SC..EExtended strand (participates in β ladder)trans-130.4170.917565.80000110.1A153 C265 K266S151-A153 PolarHBondContact O-N 3.16Å; S151-C265 WeakPolarHBondContact O-CA 3.43Å; S151-K266 PolarHBondContact N-O 2.79Å; S151-K266 PolarHBondContact O-N 2.86Å; S151-K266 VanDerWaalsContact O-O 3.05Å
152L89.3Confident83.7Confident2 Ų250.5 Ų50.51%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-55.9142.5162.1-79.9168.1000109.2Y138 A141 A142 T154 W185 F263Y138-L152 HydrophobicContact CD1-CD1 4.45Å; Y138-L152 HydrophobicContact CD2-CD1 4.08Å; Y138-L152 HydrophobicContact CE1-CD1 3.97Å; Y138-L152 HydrophobicContact CE2-CD1 3.59Å; Y138-L152 HydrophobicContact CG-CD1 4.5Å; A141-L152 HydrophobicContact CB-CD2 4.33Å; A142-L152 HydrophobicContact CB-CD1 3.66Å; A142-L152 HydrophobicContact CB-CG 4.15Å; L152-T154 PolarHBondContact O-N 3.21Å; L152-W185 HydrophobicContact CD2-CB 4.33Å; L152-F263 HydrophobicContact CD2-CB 4.16Å
153A89.1Confident83.4Confident0 Ų052.6 Ų52.60%026%0.261CS..  trans-67.5126.9-170.300000113Y129 S151 G187 L264 K266Y129-A153 HydrophobicContact CD1-CB 4.3Å; Y129-A153 HydrophobicContact CE1-CB 4.04Å; S151-A153 PolarHBondContact O-N 3.16Å; A153-G187 PolarHBondContact O-N 3.18Å; A153-L264 HydrophobicContact CB-CB 4.02Å; A153-L264 HydrophobicContact CB-CD2 3.46Å; A153-L264 VanDerWaalsContact CB-CD2 3.46Å; A153-L264 HydrophobicContact CB-CG 3.45Å; A153-L264 VanDerWaalsContact CB-CG 3.45Å; A153-L264 WeakPolarHBondContact CB-O 3.33Å; A153-L264 PolarHBondContact N-O 3.46Å; A153-K266 HydrophobicContact CB-CB 3.81Å
154T87.2Confident83.1Confident25 Ų2547.5 Ų47.515%0.15324%0.237CC..  trans-119145.4170.656.50000108.7L152 V205 K266L152-T154 PolarHBondContact O-N 3.21Å; T154-V205 HydrophobicContact CG2-CG1 3.74Å; T154-K266 WeakPolarHBondContact O-CD 3.29Å; T154-K266 PolarHBondContact O-NZ 3.05Å
155F84.5Confident82.6Confident1 Ų147.3 Ų47.30%0.00424%0.235CC..  trans-107.9133.8-179-50-72.6000108.8Y129 E160 L161 V164 V186 Y188 V213 F214 L236 W252 L264Y129-F155 HydrophobicContact CE1-CE1 4.24Å; F155-E160 WeakPolarHBondContact CA-OE2 3.4Å; F155-E160 HydrophobicContact CD1-CG 4.34Å; F155-L161 HydrophobicContact CD1-CB 4.35Å; F155-L161 HydrophobicContact CD1-CD1 4.38Å; F155-L161 HydrophobicContact CD2-CD1 3.98Å; F155-L161 HydrophobicContact CE1-CD1 4.22Å; F155-L161 HydrophobicContact CE2-CD1 3.8Å; F155-L161 HydrophobicContact CG-CB 4.28Å; F155-L161 HydrophobicContact CG-CD1 4.26Å; F155-L161 HydrophobicContact CZ-CD1 3.92Å; F155-V164 HydrophobicContact CE1-CB 4.07Å; F155-V164 HydrophobicContact CE1-CG1 4.11Å; F155-V164 HydrophobicContact CE1-CG2 3.84Å; F155-V164 HydrophobicContact CZ-CG1 4.18Å; F155-V186 HydrophobicContact CE2-CG1 4.25Å; F155-V186 HydrophobicContact CZ-CG1 4.39Å; F155-Y188 AromaticContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CE2-CE2 4.31Å; F155-Y188 PolarHBondContact N-OH 2.82Å; F155-Y188 PolarHBondContact O-OH 2.88Å; F155-V213 WeakPolarHBondContact O-CG1 2.92Å; F155-F214 HydrophobicContact CB-CB 4.46Å; F155-F214 WeakPolarHBondContact O-CA 3.49Å; F155-F214 VanDerWaalsContact O-CB 3.23Å; F155-F214 WeakPolarHBondContact O-CB 3.26Å; F155-F214 PolarHBondContact O-N 2.04Å; F155-L236 HydrophobicContact CE2-CD2 4.31Å; F155-L236 HydrophobicContact CZ-CD2 4.18Å; F155-W252 AromaticContact CD2-CH2 3.91Å; F155-W252 HydrophobicContact CD2-CH2 3.91Å; F155-W252 AromaticContact CE2-CH2 3.82Å; F155-W252 HydrophobicContact CE2-CH2 3.82Å; F155-L264 HydrophobicContact CE1-CD2 4.27Å; F155-L264 HydrophobicContact CZ-CD2 3.91Å
156S74.9Confident81.9Confident46 Ų4650.3 Ų50.332%0.32226%0.26SS..SBendtrans-96.9-3117756.30000111.4T125 E160T125-S156 WeakPolarHBondContact CG2-OG 3.11Å; S156-E160 PolarHBondContact N-OE2 2.79Å; S156-E160 PolarHBondContact OG-OE2 2.81Å
157T76.2Confident81.2Confident50 Ų5048.7 Ų48.731%0.30725%0.252SS..SBendtrans-132.6156.4-179.6620000111.4Q159 E160 L161T157-Q159 PolarHBondContact O-N 3.39Å; T157-E160 WeakPolarHBondContact O-CB 3.33Å; T157-E160 PolarHBondContact O-N 3.11Å; T157-E160 WeakPolarHBondContact OG1-CB 3.26Å; T157-E160 PolarHBondContact OG1-N 2.88Å; T157-L161 PolarHBondContact O-N 2.87Å
158D78.2Confident80.4Confident70 Ų7044.6 Ų44.637%0.37424%0.241SC..Hα-helixtrans-65.8-29.6174.668.4-56.3000111.9L161 R162D158-L161 PolarHBondContact O-N 2.89Å; D158-R162 WeakPolarHBondContact O-CG 3.29Å; D158-R162 PolarHBondContact O-N 3.01Å; D158-R162 IonicContact OD2-CZ 3.95Å; D158-R162 IonicContact OD2-NH1 3.91Å; D158-R162 PolarHBondContact OD2-NH1 2.86Å; D158-R162 IonicContact OD2-NH2 2.9Å; D158-R162 PolarHBondContact OD2-NH2 3.12Å
159Q79.4Confident79.7Confident119 Ų11943.4 Ų43.456%0.55623%0.233SC*.Hα-helixtrans-65.5-39.4174.8-61.3-178.3-2.500112.3Y122 T157 L161 R162 F163Y122-Q159 WeakPolarHBondContact OH-CB 3.4Å; T157-Q159 PolarHBondContact O-N 3.39Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-R162 PolarHBondContact O-N 3.5Å; Q159-F163 PolarHBondContact O-N 2.89Å
160E82Confident78.6Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-65-38.5176-170.8177.4-140.700111.4Y122 T125 Y129 F155 S156 T157 F163 V164 K266Y122-E160 HydrophobicContact CD1-CB 4.24Å; Y122-E160 HydrophobicContact CD1-CG 3.97Å; Y122-E160 HydrophobicContact CE1-CB 3.85Å; Y122-E160 HydrophobicContact CE1-CG 4.09Å; T125-E160 PolarHBondContact OG1-OE1 3.05Å; Y129-E160 HydrophobicContact CE2-CG 4.1Å; Y129-E160 WeakPolarHBondContact OH-CG 3.34Å; Y129-E160 PolarHBondContact OH-OE1 2.8Å; F155-E160 WeakPolarHBondContact CA-OE2 3.4Å; F155-E160 HydrophobicContact CD1-CG 4.34Å; S156-E160 PolarHBondContact N-OE2 2.79Å; S156-E160 PolarHBondContact OG-OE2 2.81Å; T157-E160 WeakPolarHBondContact O-CB 3.33Å; T157-E160 PolarHBondContact O-N 3.11Å; T157-E160 WeakPolarHBondContact OG1-CB 3.26Å; T157-E160 PolarHBondContact OG1-N 2.88Å; E160-F163 WeakPolarHBondContact O-CB 3.38Å; E160-F163 PolarHBondContact O-N 2.97Å; E160-V164 PolarHBondContact O-N 3.09Å; E160-K266 IonicContact OE1-NZ 2.95Å; E160-K266 PolarHBondContact OE1-NZ 3.04Å; E160-K266 IonicContact OE2-NZ 2.84Å; E160-K266 PolarHBondContact OE2-NZ 3.14Å
161L83.6Confident77.1Confident7 Ų750 Ų504%0.03726%0.259CS..Hα-helixtrans-63.9-46.7171.7179.262.4000111.4F155 T157 D158 Q159 F163 V164 L165 F214 L236 W252F155-L161 HydrophobicContact CD1-CB 4.35Å; F155-L161 HydrophobicContact CD1-CD1 4.38Å; F155-L161 HydrophobicContact CD2-CD1 3.98Å; F155-L161 HydrophobicContact CE1-CD1 4.22Å; F155-L161 HydrophobicContact CE2-CD1 3.8Å; F155-L161 HydrophobicContact CG-CB 4.28Å; F155-L161 HydrophobicContact CG-CD1 4.26Å; F155-L161 HydrophobicContact CZ-CD1 3.92Å; T157-L161 PolarHBondContact O-N 2.87Å; D158-L161 PolarHBondContact O-N 2.89Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; L161-F163 VanDerWaalsContact C-N 3.28Å; L161-F163 PolarHBondContact O-N 3.49Å; L161-V164 PolarHBondContact O-N 2.89Å; L161-V164 VanDerWaalsContact O-N 3.12Å; L161-L165 HydrophobicContact CD1-CD1 4.44Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.12Å; L161-L165 HydrophobicContact CG-CG 4.48Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 3.06Å; L161-F214 HydrophobicContact CD2-CE1 4.28Å; L161-L236 HydrophobicContact CD1-CD2 4.01Å; L161-W252 HydrophobicContact CD1-CZ2 4.11Å; L161-W252 HydrophobicContact CD2-CZ2 4.01Å
162R81.2Confident75Confident119 Ų11953.4 Ų53.445%0.44928%0.28SS..Hα-helixtrans-60.3-36.9177.1-71.9-165.1-16290.210.2112.6D158 Q159 L165 A166 D248D158-R162 WeakPolarHBondContact O-CG 3.29Å; D158-R162 PolarHBondContact O-N 3.01Å; D158-R162 IonicContact OD2-CZ 3.95Å; D158-R162 IonicContact OD2-NH1 3.91Å; D158-R162 PolarHBondContact OD2-NH1 2.86Å; D158-R162 IonicContact OD2-NH2 2.9Å; D158-R162 PolarHBondContact OD2-NH2 3.12Å; Q159-R162 PolarHBondContact O-N 3.5Å; R162-L165 PolarHBondContact O-N 2.78Å; R162-A166 VanDerWaalsContact O-CB 3.3Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 2.9Å; R162-D248 IonicContact NE-OD1 3.69Å
163F82.6Confident73Confident46 Ų4661.6 Ų61.620%0.20232%0.319CS..Hα-helixtrans-59.4-47.1173.7169.3-100.3000111.7H120 H121 Y122 Y129 Q159 E160 L161 L165 A166 Q167H120-F163 HydrophobicContact CB-CE1 4.29Å; H120-F163 HydrophobicContact CB-CZ 4.02Å; H121-F163 WeakPolarHBondContact O-CZ 3.44Å; Y122-F163 HydrophobicContact CD2-CB 3.55Å; Y122-F163 AromaticContact CD2-CD1 3.8Å; Y122-F163 HydrophobicContact CD2-CD1 3.8Å; Y122-F163 AromaticContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CD2 3.71Å; Y122-F163 HydrophobicContact CD2-CE1 4.41Å; Y122-F163 HydrophobicContact CD2-CE2 4.32Å; Y122-F163 AromaticContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CD2-CG 3.39Å; Y122-F163 HydrophobicContact CE2-CB 3.73Å; Y122-F163 HydrophobicContact CE2-CD2 4.43Å; Y122-F163 HydrophobicContact CE2-CG 4.09Å; Y122-F163 HydrophobicContact CG-CB 4.45Å; Y122-F163 HydrophobicContact CG-CD1 4.07Å; Y122-F163 HydrophobicContact CG-CE1 4.49Å; Y122-F163 HydrophobicContact CG-CG 4.14Å; Y129-F163 HydrophobicContact CD2-CD1 4.38Å; Y129-F163 HydrophobicContact CD2-CE1 4.06Å; Q159-F163 PolarHBondContact O-N 2.89Å; E160-F163 WeakPolarHBondContact O-CB 3.38Å; E160-F163 PolarHBondContact O-N 2.97Å; L161-F163 VanDerWaalsContact C-N 3.28Å; L161-F163 PolarHBondContact O-N 3.49Å; F163-L165 VanDerWaalsContact C-N 3.31Å; F163-L165 PolarHBondContact O-N 2.87Å; F163-A166 PolarHBondContact O-N 3Å; F163-Q167 PolarHBondContact O-N 3.03Å
164V82.4Confident70.8Confident0 Ų072.7 Ų72.70%036%0.361CS..Hα-helixtrans-64.7-36178.3163.30000112Y129 F155 E160 L161 W169 L264Y129-V164 HydrophobicContact CD1-CG2 3.92Å; Y129-V164 HydrophobicContact CD2-CG2 4.3Å; Y129-V164 HydrophobicContact CE1-CG2 4.03Å; Y129-V164 HydrophobicContact CE2-CG2 4.42Å; Y129-V164 HydrophobicContact CG-CG2 4.03Å; F155-V164 HydrophobicContact CE1-CB 4.07Å; F155-V164 HydrophobicContact CE1-CG1 4.11Å; F155-V164 HydrophobicContact CE1-CG2 3.84Å; F155-V164 HydrophobicContact CZ-CG1 4.18Å; E160-V164 PolarHBondContact O-N 3.09Å; L161-V164 PolarHBondContact O-N 2.89Å; L161-V164 VanDerWaalsContact O-N 3.12Å; V164-W169 HydrophobicContact CB-CZ2 3.93Å; V164-W169 HydrophobicContact CG1-CH2 4.19Å; V164-W169 HydrophobicContact CG1-CZ2 3.5Å; V164-W169 VanDerWaalsContact CG1-CZ2 3.5Å; V164-W169 HydrophobicContact CG2-CH2 4.21Å; V164-W169 HydrophobicContact CG2-CZ2 4.07Å; V164-W169 VanDerWaalsContact O-CZ2 3.29Å; V164-W169 WeakPolarHBondContact O-CZ2 3.39Å; V164-W169 PolarHBondContact O-NE1 2.98Å; V164-L264 HydrophobicContact CG1-CD2 3.56Å; V164-L264 HydrophobicContact CG2-CD2 4.4Å
165L79.1Confident68.3Low25 Ų2577 Ų7713%0.13139%0.391CS..Hα-helixtrans-71.7-33.3176.2-65.1175000113.1L161 R162 F163 Q167 L236 C238 H250L161-L165 HydrophobicContact CD1-CD1 4.44Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.12Å; L161-L165 HydrophobicContact CG-CG 4.48Å; L161-L165 WeakPolarHBondContact O-CG 3.18Å; L161-L165 PolarHBondContact O-N 3.06Å; R162-L165 PolarHBondContact O-N 2.78Å; F163-L165 VanDerWaalsContact C-N 3.31Å; F163-L165 PolarHBondContact O-N 2.87Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; L165-L236 HydrophobicContact CD2-CD2 4.41Å; L165-C238 HydrophobicContact CD2-CB 4.15Å; L165-C238 VanDerWaalsContact CD2-SG 3.51Å; L165-H250 HydrophobicContact CD1-CB 3.85Å; L165-H250 HydrophobicContact CD2-CB 3.73Å; L165-H250 HydrophobicContact CG-CB 4.47Å
166A71.4Confident66.2Low63 Ų6387.5 Ų87.552%0.52144%0.437SS..Hα-helixtrans-75.9-20.1179.800000113.3R162 F163R162-A166 VanDerWaalsContact O-CB 3.3Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 2.9Å; F163-A166 PolarHBondContact O-N 3Å
167Q71.2Confident64.3Low56 Ų5687.8 Ų87.826%0.26245%0.448SS..SBendtrans-77.4134.7-176.3-167.658.647.900111.9H120 F163 L165 W169H120-Q167 VanDerWaalsContact CE1-CD 3.45Å; H120-Q167 PolarHBondContact CE1-NE2 3.01Å; H120-Q167 VanDerWaalsContact ND1-CD 3.26Å; H120-Q167 PolarHBondContact ND1-NE2 3.34Å; F163-Q167 PolarHBondContact O-N 3.03Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; Q167-W169 HydrophobicContact CB-CZ2 4.05Å; Q167-W169 HydrophobicContact CG-CD2 4.49Å; Q167-W169 HydrophobicContact CG-CZ2 4.46Å; Q167-W169 PolarHBondContact O-N 3Å; Q167-W169 PolarHBondContact O-NE1 2.98Å; Q167-W169 VanDerWaalsContact O-NE1 3.07Å
168E68.3Low62.5Low96 Ų9697 Ų9745%0.44948%0.478SS..  trans-83.4110.1168.5-74.5-179.9-163.800109.7D170 Q171 H240E168-D170 VanDerWaalsContact C-N 3.27Å; E168-D170 PolarHBondContact O-N 2.97Å; E168-Q171 PolarHBondContact OE2-NE2 3.03Å; E168-H240 IonicContact OE1-CE1 2.84Å
169W66.6Low60.8Low25 Ų25102.6 Ų102.610%0.09550%0.498CS..  trans-85.764-175.9-54.685.6000111.8V131 V164 Q167 R182 L264V131-W169 HydrophobicContact CB-CB 4.1Å; V131-W169 HydrophobicContact CB-CD2 3.92Å; V131-W169 HydrophobicContact CB-CE3 3.42Å; V131-W169 VanDerWaalsContact CB-CE3 3.42Å; V131-W169 HydrophobicContact CB-CG 4.24Å; V131-W169 HydrophobicContact CB-CZ3 4.11Å; V131-W169 HydrophobicContact CG1-CB 4.36Å; V131-W169 HydrophobicContact CG2-CB 4.19Å; V131-W169 HydrophobicContact CG2-CD2 3.31Å; V131-W169 HydrophobicContact CG2-CE3 3.07Å; V131-W169 HydrophobicContact CG2-CG 3.83Å; V131-W169 HydrophobicContact CG2-CH2 4.23Å; V131-W169 HydrophobicContact CG2-CZ2 4.45Å; V131-W169 HydrophobicContact CG2-CZ3 3.55Å; V164-W169 HydrophobicContact CB-CZ2 3.93Å; V164-W169 HydrophobicContact CG1-CH2 4.19Å; V164-W169 HydrophobicContact CG1-CZ2 3.5Å; V164-W169 VanDerWaalsContact CG1-CZ2 3.5Å; V164-W169 HydrophobicContact CG2-CH2 4.21Å; V164-W169 HydrophobicContact CG2-CZ2 4.07Å; V164-W169 VanDerWaalsContact O-CZ2 3.29Å; V164-W169 WeakPolarHBondContact O-CZ2 3.39Å; V164-W169 PolarHBondContact O-NE1 2.98Å; Q167-W169 HydrophobicContact CB-CZ2 4.05Å; Q167-W169 HydrophobicContact CG-CD2 4.49Å; Q167-W169 HydrophobicContact CG-CZ2 4.46Å; Q167-W169 PolarHBondContact O-N 3Å; Q167-W169 PolarHBondContact O-NE1 2.98Å; Q167-W169 VanDerWaalsContact O-NE1 3.07Å; W169-R182 PolarHBondContact O-NH1 2.8Å; W169-L264 HydrophobicContact CE3-CD1 4.25Å; W169-L264 HydrophobicContact CH2-CD1 3.22Å; W169-L264 HydrophobicContact CZ2-CD1 3.98Å; W169-L264 HydrophobicContact CZ3-CD1 3.38Å
170D53.9Low59.2Low117 Ų117101.2 Ų101.263%0.62650%0.495SS*.  trans82.6123.3-177.6-72.8-27.8000118E168E168-D170 VanDerWaalsContact C-N 3.27Å; E168-D170 PolarHBondContact O-N 2.97Å
171Q50.8Low58.1Low142 Ų142107.2 Ų107.266%0.66452%0.523SS*.  trans-89.1130.4156-68.8-176.411.600109.5E168E168-Q171 PolarHBondContact OE2-NE2 3.03Å
172P44.1Very low57.5Low112 Ų112112.4 Ų112.473%0.72754%0.542SS*.  trans-115.9122.1130.229-20.2000108.3R174P172-R174 PolarHBondContact O-N 2.8Å
173E47.4Very low57.7Low175 Ų175109.6 Ų109.682%0.81853%0.533SS*.  trans-49.3100.4164.3-70179.3152.900109.6
174R42.5Very low58Low233 Ų233107.7 Ų107.788%0.87953%0.525SS*.  trans148.197.9151.2-84.9163.6169.5170.9-0.9110.4P172P172-R174 PolarHBondContact O-N 2.8Å
175S34.9Very low58.5Low114 Ų114107.7 Ų107.780%0.79753%0.525SS*.  167119.7105.742.10000107.9G177S175-G177 PolarHBondContact O-N 2.83Å
176F39.8Very low59Low222 Ų222106.5 Ų106.597%0.97452%0.519SS*.  trans-58102.7168-119.4-101.9000107.8
177G34.1Very low59.9Low53 Ų53103.6 Ų103.655%0.54650%0.495SS..  trans-170.666.1-174.400000111.3S175 K179S175-G177 PolarHBondContact O-N 2.83Å; G177-K179 PolarHBondContact O-N 3.43Å; G177-K179 VanDerWaalsContact O-N 3.16Å
178W39.6Very low60.7Low244 Ų244101 Ų10192%0.92448%0.483SS*.  trans13.887.6158.8-68.863.4000115.5
179K41.6Very low61.6Low187 Ų18798 Ų9881%0.81347%0.468SS*.  trans-144.751.1158-79.5-166.7177.4179.60110.1G177 Q181G177-K179 PolarHBondContact O-N 3.43Å; G177-K179 VanDerWaalsContact O-N 3.16Å; K179-Q181 PolarHBondContact O-N 2.05Å
180D46.9Very low62.5Low90 Ų9097.4 Ų97.448%0.48147%0.466SS..  trans-85.449.2-179-67.1-30.2000112.6
181Q57.8Low63.9Low126 Ų12693 Ų9359%0.58944%0.444SS*.  trans-139.384.5168.7-66.8-164.2-5.400108.6K179 Q237 F239K179-Q181 PolarHBondContact O-N 2.05Å; Q181-Q237 VanDerWaalsContact CG-NE2 3.28Å; Q181-F239 HydrophobicContact CG-CE1 4.12Å
182R71.9Confident65.3Low115 Ų11587.2 Ų87.243%0.43442%0.417SS..EExtended strand (participates in β ladder)trans-88.4112.9176.5-62-174.6-171.5-166.54.8108.2W169 Q237 C238W169-R182 PolarHBondContact O-NH1 2.8Å; R182-Q237 WeakPolarHBondContact O-CA 3.11Å; R182-C238 PolarHBondContact O-N 3.2Å; R182-C238 VanDerWaalsContact O-N 3.13Å
183K84.6Confident66.6Low61 Ų6186.4 Ų86.427%0.26541%0.411SS..EExtended strand (participates in β ladder)trans-95.6127.1171.2-61.1-167.9-178-176.40108.8Q235 L236 Q237K183-Q235 HydrophobicContact CB-CB 4.39Å; K183-L236 WeakPolarHBondContact CA-O 2.91Å; K183-Q237 HydrophobicContact CG-CB 4.21Å; K183-Q237 HydrophobicContact CG-CG 4.36Å
184L89.8Confident67.2Low6 Ų679.6 Ų79.63%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-118.1127.2-177.5-61.5172.9000109.9V131 V186 Q235 L236 S262V131-L184 HydrophobicContact CG1-CD2 3.86Å; V131-L184 HydrophobicContact CG2-CD1 3.89Å; V131-L184 HydrophobicContact CG2-CD2 4.03Å; L184-V186 PolarHBondContact O-N 2.84Å; L184-Q235 CarbonylContact O-C 3.59Å; L184-Q235 WeakPolarHBondContact O-CA 3.12Å; L184-L236 PolarHBondContact N-O 3.24Å; L184-L236 PolarHBondContact O-N 3.4Å; L184-S262 CarbonylContact C-O 3.4Å; L184-S262 VanDerWaalsContact CA-O 3.26Å; L184-S262 WeakPolarHBondContact CA-O 3.28Å
185W91.9Very high67.9Low0 Ų080 Ų800%039%0.389CS..EExtended strand (participates in β ladder)trans-61.6131.9166-68.8128.9000110.4E136 Y138 L152 C233 Q235 E255 S256 E259 S261 S262 F263 L264E136-W185 PolarHBondContact O-NE1 3.28Å; Y138-W185 HydrophobicContact CD2-CB 4.37Å; Y138-W185 AromaticContact CD2-CD2 3.99Å; Y138-W185 HydrophobicContact CD2-CD2 3.99Å; Y138-W185 AromaticContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CE3 3.69Å; Y138-W185 HydrophobicContact CD2-CG 4.31Å; Y138-W185 HydrophobicContact CD2-CZ3 4.28Å; Y138-W185 HydrophobicContact CE2-CE3 4.39Å; L152-W185 HydrophobicContact CD2-CB 4.33Å; W185-C233 HydrophobicContact CE3-CB 4.01Å; W185-C233 HydrophobicContact CH2-CB 4.06Å; W185-C233 HydrophobicContact CZ3-CB 3.4Å; W185-C233 VanDerWaalsContact CZ3-CB 3.4Å; W185-Q235 HydrophobicContact CD2-CG 4.03Å; W185-Q235 HydrophobicContact CE3-CG 3.4Å; W185-Q235 VanDerWaalsContact CE3-CG 3.4Å; W185-Q235 HydrophobicContact CH2-CG 3.76Å; W185-Q235 HydrophobicContact CZ2-CG 4.34Å; W185-Q235 HydrophobicContact CZ3-CG 3.25Å; W185-E255 HydrophobicContact CH2-CB 3.99Å; W185-E255 HydrophobicContact CH2-CG 4.17Å; W185-E255 HydrophobicContact CZ3-CB 4.35Å; W185-S256 WeakPolarHBondContact CH2-O 3.12Å; W185-E259 HydrophobicContact CH2-CB 4.5Å; W185-E259 HydrophobicContact CZ2-CB 4.09Å; W185-E259 VanDerWaalsContact CZ2-O 3.29Å; W185-E259 WeakPolarHBondContact CZ2-O 3.45Å; W185-S261 VanDerWaalsContact CD2-OG 3.3Å; W185-S261 PolarHBondContact NE1-OG 3.11Å; W185-S262 PolarHBondContact N-O 3.4Å; W185-F263 HydrophobicContact CB-CB 3.78Å; W185-F263 HydrophobicContact CG-CB 4.48Å; W185-L264 PolarHBondContact O-N 2.04Å
186V90.9Very high68.8Low0 Ų081.4 Ų81.40%039%0.387CS..EExtended strand (participates in β ladder)trans-130.9161.3178.8-710000110.3Y138 F155 L184 Y188 A234 L236 W252 L264Y138-V186 VanDerWaalsContact CE2-O 3.29Å; Y138-V186 WeakPolarHBondContact CE2-O 3.18Å; Y138-V186 PolarHBondContact OH-O 2.64Å; F155-V186 HydrophobicContact CE2-CG1 4.25Å; F155-V186 HydrophobicContact CZ-CG1 4.39Å; L184-V186 PolarHBondContact O-N 2.84Å; V186-Y188 HydrophobicContact CB-CD2 4.17Å; V186-Y188 HydrophobicContact CG2-CD2 3.95Å; V186-Y188 PolarHBondContact O-N 2.72Å; V186-A234 HydrophobicContact CG2-CB 3.65Å; V186-A234 WeakPolarHBondContact CG2-O 3.02Å; V186-A234 PolarHBondContact N-O 3.12Å; V186-L236 HydrophobicContact CG1-CB 3.88Å; V186-L236 HydrophobicContact CG1-CD2 4.4Å; V186-L236 HydrophobicContact CG2-CB 4.21Å; V186-W252 HydrophobicContact CG2-CE3 4.44Å; V186-W252 HydrophobicContact CG2-CZ3 3.77Å; V186-L264 HydrophobicContact CG1-CD2 4.48Å
187G89.2Confident69.4Low2 Ų283.2 Ų83.22%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-73.530.7-166.700000116.7A153 A206A153-G187 PolarHBondContact O-N 3.18Å; G187-A206 PolarHBondContact O-N 2.88Å; G187-A206 VanDerWaalsContact O-N 3.12Å
188Y88.2Confident70.4Confident0 Ų083.7 Ų83.70%038%0.382CS..EExtended strand (participates in β ladder)trans-118146.3-178.7-54.8-91.3000111.3F155 V186 E204 V205 V213 F214 P216 A234 W252F155-Y188 AromaticContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CD2-CE2 3.95Å; F155-Y188 HydrophobicContact CE2-CE2 4.31Å; F155-Y188 PolarHBondContact N-OH 2.82Å; F155-Y188 PolarHBondContact O-OH 2.88Å; V186-Y188 HydrophobicContact CB-CD2 4.17Å; V186-Y188 HydrophobicContact CG2-CD2 3.95Å; V186-Y188 PolarHBondContact O-N 2.72Å; Y188-E204 CarbonylContact C-O 3.51Å; Y188-E204 WeakPolarHBondContact CA-O 3.46Å; Y188-V205 HydrophobicContact CD1-CG2 4.46Å; Y188-V205 HydrophobicContact CE1-CG2 4.49Å; Y188-V213 HydrophobicContact CE1-CG1 3.64Å; Y188-V213 WeakPolarHBondContact OH-CG1 3.02Å; Y188-F214 WeakPolarHBondContact CE1-O 3.38Å; Y188-F214 VanDerWaalsContact CZ-O 3.28Å; Y188-F214 PolarHBondContact OH-O 2.89Å; Y188-P216 HydrophobicContact CD1-CG 4.2Å; Y188-P216 HydrophobicContact CG-CG 4.18Å; Y188-A234 WeakPolarHBondContact O-CB 3.3Å; Y188-A234 PolarHBondContact O-N 2.82Å; Y188-W252 HydrophobicContact CD2-CH2 4.44Å; Y188-W252 AromaticContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CE2-CH2 4.08Å; Y188-W252 HydrophobicContact CE2-CZ3 4.08Å
189Q87.2Confident71.3Confident33 Ų3377.1 Ų77.115%0.15437%0.365CS..EExtended strand (participates in β ladder)trans-125.6138.5174.568.2-172.223.500109.2V191 W203 E204 V231 F232Q189-V191 HydrophobicContact CG-CG2 4.25Å; Q189-W203 CarbonylContact O-C 3.3Å; Q189-W203 WeakPolarHBondContact O-CA 3.38Å; Q189-E204 HydrophobicContact CG-CB 3.72Å; Q189-E204 PolarHBondContact N-O 2.84Å; Q189-E204 PolarHBondContact NE2-OE2 2.97Å; Q189-E204 PolarHBondContact O-N 3.01Å; Q189-V231 HydrophobicContact CB-CG1 4.31Å; Q189-F232 CarbonylContact C-O 3.6Å; Q189-F232 VanDerWaalsContact CA-O 3.32Å; Q189-F232 WeakPolarHBondContact CA-O 2.95Å
190Y85.1Confident72.5Confident13 Ų1374.7 Ų74.75%0.05136%0.356CS..EExtended strand (participates in β ladder)trans-101.9113.5176.2-168.4-102.1000108.9I192 G201 W203 P219 F221 V231 F232Y190-I192 HydrophobicContact CD1-CD1 4.42Å; Y190-I192 HydrophobicContact CD1-CG1 3.88Å; Y190-I192 HydrophobicContact CE1-CD1 4.29Å; Y190-I192 HydrophobicContact CE1-CG1 3.83Å; Y190-G201 WeakPolarHBondContact OH-CA 3.37Å; Y190-G201 PolarHBondContact OH-N 3.01Å; Y190-G201 PolarHBondContact OH-O 2.79Å; Y190-W203 AromaticContact CD2-CD2 3.69Å; Y190-W203 HydrophobicContact CD2-CD2 3.69Å; Y190-W203 AromaticContact CD2-CE2 3.78Å; Y190-W203 HydrophobicContact CD2-CE3 4.04Å; Y190-W203 HydrophobicContact CD2-CG 4.04Å; Y190-W203 HydrophobicContact CD2-CZ2 4.28Å; Y190-W203 HydrophobicContact CD2-CZ3 4.41Å; Y190-W203 HydrophobicContact CG-CD2 4.48Å; Y190-W203 HydrophobicContact CG-CE3 4.41Å; Y190-W203 HydrophobicContact CG-CZ3 4.47Å; Y190-P219 HydrophobicContact CD1-CG 4.13Å; Y190-P219 HydrophobicContact CD2-CG 3.68Å; Y190-P219 HydrophobicContact CE1-CG 4.05Å; Y190-P219 VanDerWaalsContact CE2-CD 3.5Å; Y190-P219 HydrophobicContact CE2-CG 3.6Å; Y190-P219 HydrophobicContact CG-CG 3.93Å; Y190-F221 HydrophobicContact CD1-CE1 4.26Å; Y190-F221 HydrophobicContact CD1-CZ 4.13Å; Y190-F221 HydrophobicContact CE1-CE1 4.26Å; Y190-F221 AromaticContact CE1-CZ 3.69Å; Y190-F221 HydrophobicContact CE1-CZ 3.69Å; Y190-V231 WeakPolarHBondContact O-CA 3.5Å; Y190-F232 PolarHBondContact N-O 3.37Å; Y190-F232 PolarHBondContact O-N 3.16Å
191V83.5Confident73.6Confident26 Ų2671.2 Ų71.216%0.15834%0.342CS..EExtended strand (participates in β ladder)trans-103124.2-179.6-176.10000109.1Q189 G201 R202 E204 V231Q189-V191 HydrophobicContact CG-CG2 4.25Å; V191-G201 CarbonylContact O-C 3.53Å; V191-G201 WeakPolarHBondContact O-CA 3.25Å; V191-R202 PolarHBondContact N-O 3.15Å; V191-R202 PolarHBondContact O-N 3.12Å; V191-E204 HydrophobicContact CG2-CG 4.17Å; V191-E204 WeakPolarHBondContact CG2-OE2 3.34Å; V191-V231 HydrophobicContact CG2-CG2 4.4Å
192I79.6Confident74.6Confident19 Ų1971.7 Ų71.710%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-92.1120.5179-54-170000108.9Y190 F221 M225 N230 F232Y190-I192 HydrophobicContact CD1-CD1 4.42Å; Y190-I192 HydrophobicContact CD1-CG1 3.88Å; Y190-I192 HydrophobicContact CE1-CD1 4.29Å; Y190-I192 HydrophobicContact CE1-CG1 3.83Å; I192-F221 HydrophobicContact CD1-CE1 4.32Å; I192-F221 HydrophobicContact CD1-CZ 4.47Å; I192-M225 HydrophobicContact CD1-CE 3.13Å; I192-N230 PolarHBondContact N-O 3.03Å; I192-F232 HydrophobicContact CD1-CD2 3.93Å; I192-F232 HydrophobicContact CD1-CE2 3.49Å; I192-F232 VanDerWaalsContact CD1-CE2 3.49Å; I192-F232 HydrophobicContact CG1-CD2 4.29Å; I192-F232 HydrophobicContact CG1-CE2 4.21Å
193T71.3Confident75Confident96 Ų9667.1 Ų67.159%0.58932%0.321SS*.  trans-98.3-9.9-176.543.70000113.5E200T193-E200 PolarHBondContact N-O 3.48Å; T193-E200 PolarHBondContact OG1-O 2.02Å
194G60Low74.8Confident32 Ų3266.6 Ų66.633%0.3332%0.32SS..  trans-98.5119.4-175.800000114.9
195R58.1Low74.2Confident240 Ų24068 Ų6891%0.90633%0.328SS*.SBendtrans-88.50.8175.3-163.8168.7-175.8-170.83.4115.1
196N53.2Low73Confident144 Ų14469 Ų6977%0.7734%0.337SS*.SBendtrans-151.894.6-179.2-85.1-40.1000112.5S198N196-S198 PolarHBondContact O-N 2.78Å
197R54Low71.6Confident261 Ų26173 Ų7399%0.98536%0.355SS*.SBendtrans60-2.1164.6-62.4-174.9173.9-175-2.3118.5
198S54.5Low69.6Low62 Ų6283 Ų8343%0.43440%0.397SS..  trans-100.1108.2160175.30000107.9N196 E200N196-S198 PolarHBondContact O-N 2.78Å; S198-E200 PolarHBondContact O-N 2.89Å
199L59.2Low67.8Low106 Ų10685.5 Ų85.556%0.55542%0.424SS*.  trans-77.453.6174.1-68.8171.3000110G201 M225L199-G201 PolarHBondContact O-N 2.92Å; L199-M225 HydrophobicContact CD1-SD 4.19Å; L199-M225 HydrophobicContact CD2-CE 3.73Å; L199-M225 HydrophobicContact CD2-SD 3.67Å
200E64.9Low65.6Low136 Ų13690.2 Ų90.264%0.63646%0.46SS*.  trans-82.4111174.5-161.8168.2-169.200108T193 S198T193-E200 PolarHBondContact N-O 3.48Å; T193-E200 PolarHBondContact OG1-O 2.02Å; S198-E200 PolarHBondContact O-N 2.89Å
201G70.7Confident63.8Low17 Ų1793.6 Ų93.618%0.17549%0.486CS..EExtended strand (participates in β ladder)trans-133.8160.9176.500000110Y190 V191 L199Y190-G201 WeakPolarHBondContact OH-CA 3.37Å; Y190-G201 PolarHBondContact OH-N 3.01Å; Y190-G201 PolarHBondContact OH-O 2.79Å; V191-G201 CarbonylContact O-C 3.53Å; V191-G201 WeakPolarHBondContact O-CA 3.25Å; L199-G201 PolarHBondContact O-N 2.92Å
202R78.9Confident62.5Low137 Ų137101.3 Ų101.352%0.51752%0.52SS..EExtended strand (participates in β ladder)trans-131.5144.5179.860.6-174.9-112.1-82.8-6110.6V191 E204V191-R202 PolarHBondContact N-O 3.15Å; V191-R202 PolarHBondContact O-N 3.12Å; R202-E204 IonicContact CZ-OE1 2.63Å; R202-E204 IonicContact NH1-OE1 3.7Å; R202-E204 PolarHBondContact NH1-OE1 3.29Å; R202-E204 IonicContact NH2-OE1 3.13Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å
203W80.1Confident61.7Low18 Ų18102.3 Ų102.37%0.06853%0.527CS..EExtended strand (participates in β ladder)trans-69.9130.9167.7-68.5111.1000109.8Q189 Y190 L215 P216 P217 P219 A234Q189-W203 CarbonylContact O-C 3.3Å; Q189-W203 WeakPolarHBondContact O-CA 3.38Å; Y190-W203 AromaticContact CD2-CD2 3.69Å; Y190-W203 HydrophobicContact CD2-CD2 3.69Å; Y190-W203 AromaticContact CD2-CE2 3.78Å; Y190-W203 HydrophobicContact CD2-CE3 4.04Å; Y190-W203 HydrophobicContact CD2-CG 4.04Å; Y190-W203 HydrophobicContact CD2-CZ2 4.28Å; Y190-W203 HydrophobicContact CD2-CZ3 4.41Å; Y190-W203 HydrophobicContact CG-CD2 4.48Å; Y190-W203 HydrophobicContact CG-CE3 4.41Å; Y190-W203 HydrophobicContact CG-CZ3 4.47Å; W203-L215 HydrophobicContact CB-CD2 4.13Å; W203-P216 HydrophobicContact CB-CG 4.4Å; W203-P216 HydrophobicContact CD2-CG 3.64Å; W203-P216 HydrophobicContact CE3-CG 4.24Å; W203-P216 HydrophobicContact CG-CG 3.73Å; W203-P216 HydrophobicContact CZ2-CG 4.14Å; W203-P216 PolarHBondContact NE1-O 3.04Å; W203-P217 PolarHBondContact NE1-O 3.43Å; W203-P219 HydrophobicContact CH2-CB 4.01Å; W203-P219 HydrophobicContact CH2-CG 4.45Å; W203-P219 HydrophobicContact CZ2-CB 3.53Å; W203-P219 HydrophobicContact CZ2-CG 3.87Å; W203-A234 HydrophobicContact CE3-CB 4.38Å; W203-A234 HydrophobicContact CH2-CB 3.76Å; W203-A234 HydrophobicContact CZ3-CB 3.46Å; W203-A234 VanDerWaalsContact CZ3-CB 3.46Å
204E79.8Confident61.5Low50 Ų50101.2 Ų101.223%0.23451%0.514CS..EExtended strand (participates in β ladder)trans-119.7155.7167.2-60.5-173.9151.500108.8Y188 Q189 V191 R202Y188-E204 CarbonylContact C-O 3.51Å; Y188-E204 WeakPolarHBondContact CA-O 3.46Å; Q189-E204 HydrophobicContact CG-CB 3.72Å; Q189-E204 PolarHBondContact N-O 2.84Å; Q189-E204 PolarHBondContact NE2-OE2 2.97Å; Q189-E204 PolarHBondContact O-N 3.01Å; V191-E204 HydrophobicContact CG2-CG 4.17Å; V191-E204 WeakPolarHBondContact CG2-OE2 3.34Å; R202-E204 IonicContact CZ-OE1 2.63Å; R202-E204 IonicContact NH1-OE1 3.7Å; R202-E204 PolarHBondContact NH1-OE1 3.29Å; R202-E204 IonicContact NH2-OE1 3.13Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å
205V78.9Confident62.2Low35 Ų35104.3 Ų104.321%0.21252%0.522CS..EExtended strand (participates in β ladder)trans-85.6124.9172-172.40000107.7T154 Y188 F207 V213T154-V205 HydrophobicContact CG2-CG1 3.74Å; Y188-V205 HydrophobicContact CD1-CG2 4.46Å; Y188-V205 HydrophobicContact CE1-CG2 4.49Å; V205-F207 WeakPolarHBondContact CG1-O 3.33Å; V205-F207 PolarHBondContact O-N 2.83Å; V205-V213 HydrophobicContact CG2-CB 3.9Å; V205-V213 HydrophobicContact CG2-CG1 4.04Å; V205-V213 HydrophobicContact CG2-CG2 3.92Å
206A65.8Low63Low22 Ų2293.2 Ų93.218%0.18248%0.482CS..SBendtrans-65-25.7-175.300000113Y138 G187Y138-A206 HydrophobicContact CE1-CB 4.05Å; Y138-A206 WeakPolarHBondContact OH-CB 3.48Å; G187-A206 PolarHBondContact O-N 2.88Å; G187-A206 VanDerWaalsContact O-N 3.12Å
207F62.5Low64Low85 Ų8590 Ų9037%0.37347%0.469SS..SBendtrans-123.3107.4171.9-71.5-84.2000109.1A142 V205 G209A142-F207 HydrophobicContact CB-CE2 3.83Å; A142-F207 HydrophobicContact CB-CZ 4.25Å; V205-F207 WeakPolarHBondContact CG1-O 3.33Å; V205-F207 PolarHBondContact O-N 2.83Å; F207-G209 VanDerWaalsContact C-N 3.34Å; F207-G209 PolarHBondContact O-N 2.02Å
208K47.1Very low64.9Low210 Ų21084.3 Ų84.391%0.91346%0.458SS*.  trans-68.988.4-177.7-163.2173.7-174.4178.70110.2
209G49.4Very low65.9Low54 Ų5482 Ų8256%0.55744%0.442SS*.  trans-76.1164.3164.600000111.4F207 S211F207-G209 VanDerWaalsContact C-N 3.34Å; F207-G209 PolarHBondContact O-N 2.02Å; G209-S211 PolarHBondContact O-N 3.01Å
210S40.3Very low66.9Low131 Ų13181.5 Ų81.592%0.91644%0.438SS*.SBendtrans-76.71-177.351.30000115
211S49Very low67.4Low85 Ų8578.2 Ų78.259%0.59442%0.422SS*.SBendtrans-107.8144.7-173.6-50.80000112G209 V213G209-S211 PolarHBondContact O-N 3.01Å; S211-V213 VanDerWaalsContact O-CG2 3.24Å; S211-V213 WeakPolarHBondContact O-CG2 3.48Å; S211-V213 PolarHBondContact O-N 3.48Å
212E55.8Low67.1Low188 Ų18879.6 Ų79.688%0.87943%0.431SS*.  trans-60.6127.6169.1-64.7-176.5167.800109.5
213V61.9Low66.4Low40 Ų4075 Ų7524%0.24242%0.421CS..  trans-114.1137-173.4-172.90000108.8F155 Y188 V205 S211 L215F155-V213 WeakPolarHBondContact O-CG1 2.92Å; Y188-V213 HydrophobicContact CE1-CG1 3.64Å; Y188-V213 WeakPolarHBondContact OH-CG1 3.02Å; V205-V213 HydrophobicContact CG2-CB 3.9Å; V205-V213 HydrophobicContact CG2-CG1 4.04Å; V205-V213 HydrophobicContact CG2-CG2 3.92Å; S211-V213 VanDerWaalsContact O-CG2 3.24Å; S211-V213 WeakPolarHBondContact O-CG2 3.48Å; S211-V213 PolarHBondContact O-N 3.48Å; V213-L215 PolarHBondContact O-N 3.3Å
214F67.8Low65.3Low73 Ų7379 Ų7932%0.3246%0.457SS..PPolyproline II helixtrans-61.2117.8169.7178.3-94.3000109.1F155 L161 Y188F155-F214 HydrophobicContact CB-CB 4.46Å; F155-F214 WeakPolarHBondContact O-CA 3.49Å; F155-F214 VanDerWaalsContact O-CB 3.23Å; F155-F214 WeakPolarHBondContact O-CB 3.26Å; F155-F214 PolarHBondContact O-N 2.04Å; L161-F214 HydrophobicContact CD2-CE1 4.28Å; Y188-F214 WeakPolarHBondContact CE1-O 3.38Å; Y188-F214 VanDerWaalsContact CZ-O 3.28Å; Y188-F214 PolarHBondContact OH-O 2.89Å
215L74.5Confident64.3Low96 Ų9680 Ų8050%0.50346%0.463SS..PPolyproline II helixtrans-86.8131.6176.8-65.1176000109.8W203 V213W203-L215 HydrophobicContact CB-CD2 4.13Å; V213-L215 PolarHBondContact O-N 3.3Å
216P75Confident63.4Low8 Ų881.1 Ų81.15%0.05247%0.472CS..PPolyproline II helixtrans-67.4158.317822.8-27.8000112.6Y188 W203 W252Y188-P216 HydrophobicContact CD1-CG 4.2Å; Y188-P216 HydrophobicContact CG-CG 4.18Å; W203-P216 HydrophobicContact CB-CG 4.4Å; W203-P216 HydrophobicContact CD2-CG 3.64Å; W203-P216 HydrophobicContact CE3-CG 4.24Å; W203-P216 HydrophobicContact CG-CG 3.73Å; W203-P216 HydrophobicContact CZ2-CG 4.14Å; W203-P216 PolarHBondContact NE1-O 3.04Å; P216-W252 HydrophobicContact CB-CD2 3.3Å; P216-W252 HydrophobicContact CB-CE3 3.36Å; P216-W252 HydrophobicContact CB-CG 3.82Å; P216-W252 HydrophobicContact CB-CH2 3.87Å; P216-W252 HydrophobicContact CB-CZ2 3.85Å; P216-W252 HydrophobicContact CB-CZ3 3.63Å; P216-W252 HydrophobicContact CG-CD2 4.24Å; P216-W252 HydrophobicContact CG-CE3 3.79Å; P216-W252 HydrophobicContact CG-CH2 4.31Å; P216-W252 HydrophobicContact CG-CZ3 3.81Å
217P73.4Confident63.1Low77 Ų7789.2 Ų89.250%0.551%0.506SS..PPolyproline II helixtrans-66.1173.2173.129.7-36000111.9W203 W252W203-P217 PolarHBondContact NE1-O 3.43Å; P217-W252 HydrophobicContact CG-CG 4.34Å
218D73.9Confident62.9Low140 Ų14091.7 Ų91.775%0.74952%0.523SS*.SBendtrans-51.1131.8-178.6-65.9-31.9000112.4
219P75.9Confident63.9Low15 Ų1584.4 Ų84.410%0.09749%0.494CS..PPolyproline II helixtrans-71.4149.3-175.322.8-28.9000113.3Y190 W203 F221 A254Y190-P219 HydrophobicContact CD1-CG 4.13Å; Y190-P219 HydrophobicContact CD2-CG 3.68Å; Y190-P219 HydrophobicContact CE1-CG 4.05Å; Y190-P219 VanDerWaalsContact CE2-CD 3.5Å; Y190-P219 HydrophobicContact CE2-CG 3.6Å; Y190-P219 HydrophobicContact CG-CG 3.93Å; W203-P219 HydrophobicContact CH2-CB 4.01Å; W203-P219 HydrophobicContact CH2-CG 4.45Å; W203-P219 HydrophobicContact CZ2-CB 3.53Å; W203-P219 HydrophobicContact CZ2-CG 3.87Å; P219-F221 HydrophobicContact CG-CE2 4.29Å; P219-F221 HydrophobicContact CG-CZ 4.12Å; P219-A254 HydrophobicContact CB-CB 3.54Å; P219-A254 HydrophobicContact CG-CB 4.02Å
220I79.1Confident65.3Low94 Ų9486.7 Ų86.748%0.48249%0.494SS..EExtended strand (participates in β ladder)trans-85.7118.7158.3-57.5171.7000108.1A222 W252 H253 A254I220-A222 PolarHBondContact O-N 2.78Å; I220-W252 PolarHBondContact N-O 3.26Å; I220-H253 CarbonylContact O-C 3.56Å; I220-H253 WeakPolarHBondContact O-CA 3.46Å; I220-A254 PolarHBondContact O-N 3.31Å
221F74.9Confident67.3Low68 Ų6883.4 Ų83.430%0.29847%0.468SS..EExtended strand (participates in β ladder)trans-74.6117.9174.5-65-85.6000109.9Y190 I192 P219 M225 F232 A254Y190-F221 HydrophobicContact CD1-CE1 4.26Å; Y190-F221 HydrophobicContact CD1-CZ 4.13Å; Y190-F221 HydrophobicContact CE1-CE1 4.26Å; Y190-F221 AromaticContact CE1-CZ 3.69Å; Y190-F221 HydrophobicContact CE1-CZ 3.69Å; I192-F221 HydrophobicContact CD1-CE1 4.32Å; I192-F221 HydrophobicContact CD1-CZ 4.47Å; P219-F221 HydrophobicContact CG-CE2 4.29Å; P219-F221 HydrophobicContact CG-CZ 4.12Å; F221-M225 HydrophobicContact CD1-CG 4.44Å; F221-M225 HydrophobicContact CE1-CE 4.24Å; F221-F232 HydrophobicContact CE1-CD2 4.36Å; F221-A254 HydrophobicContact CD1-CB 3.89Å; F221-A254 HydrophobicContact CE1-CB 3.92Å
222A64.8Low69.2Low45 Ų4579.6 Ų79.637%0.37244%0.441SS..  trans-90.2-24-175.900000113.4I220 A254 E255I220-A222 PolarHBondContact O-N 2.78Å; A222-A254 PolarHBondContact N-O 2.89Å; A222-E255 WeakPolarHBondContact CB-OE2 2.91Å
223S64.1Low70.8Confident42 Ų4270.7 Ų70.729%0.29440%0.399SS..SBendtrans-118.5153.3173.743.30000112M225 E255S223-M225 PolarHBondContact O-N 3.46Å; S223-E255 VanDerWaalsContact CB-OE1 3.26Å; S223-E255 WeakPolarHBondContact CB-OE1 3.32Å; S223-E255 PolarHBondContact OG-OE1 3.24Å
224A58.5Low72.1Confident100 Ų10068.8 Ų68.883%0.82639%0.388SS*.  trans-63123.9178.300000109.2S226A224-S226 PolarHBondContact O-N 2.84Å
225M58.7Low73.2Confident73 Ų7365.6 Ų65.636%0.3637%0.374SS..  trans-55.2115.2-178.2-60.6-171.775.700110.2I192 L199 F221 S223 F232I192-M225 HydrophobicContact CD1-CE 3.13Å; L199-M225 HydrophobicContact CD1-SD 4.19Å; L199-M225 HydrophobicContact CD2-CE 3.73Å; L199-M225 HydrophobicContact CD2-SD 3.67Å; F221-M225 HydrophobicContact CD1-CG 4.44Å; F221-M225 HydrophobicContact CE1-CE 4.24Å; S223-M225 PolarHBondContact O-N 3.46Å; M225-F232 HydrophobicContact CE-CE2 4.05Å; M225-F232 HydrophobicContact CE-CZ 4.15Å
226S58.6Low73.8Confident58 Ų5861 Ų6141%0.40635%0.35SS..  trans-70.4132.8166-1790000107.8A224 N228 D229A224-S226 PolarHBondContact O-N 2.84Å; S226-N228 PolarHBondContact O-N 3.34Å; S226-D229 PolarHBondContact O-N 3.43Å
227E59.1Low74.3Confident191 Ų19161 Ų6189%0.89335%0.349SS*.THydrogen-bonded Turntrans-59.2-10.7-178.6-72.5-178.1155.700114
228N59.8Low74.4Confident137 Ų13758.2 Ų58.273%0.73333%0.331SS*.THydrogen-bonded Turntrans-106.1-12.1-175.7-66.7-26.3000114.6S226S226-N228 PolarHBondContact O-N 3.34Å
229D68.3Low74Confident58 Ų5854.4 Ų54.431%0.3131%0.308SS..  trans-97.3105-175-65.9-24.9000110S226 F232S226-D229 PolarHBondContact O-N 3.43Å; D229-F232 HydrophobicContact CB-CE1 4.42Å; D229-F232 HydrophobicContact CB-CZ 4.08Å; D229-F232 WeakPolarHBondContact O-CE2 3.09Å; D229-F232 WeakPolarHBondContact O-CZ 3.21Å
230N77.3Confident73Confident102 Ų10257.9 Ų57.955%0.54532%0.323SS..  trans-90.7-7.1178-60.9-25.4000112.9I192I192-N230 PolarHBondContact N-O 3.03Å
231V83.9Confident71.8Confident62 Ų6258 Ų5838%0.37632%0.32SS..EExtended strand (participates in β ladder)trans-129.4124.9-176-175.70000109.3Q189 Y190 V191Q189-V231 HydrophobicContact CB-CG1 4.31Å; Y190-V231 WeakPolarHBondContact O-CA 3.5Å; V191-V231 HydrophobicContact CG2-CG2 4.4Å
232F87Confident70.7Confident5 Ų560 Ų602%0.02234%0.34CS..EExtended strand (participates in β ladder)trans-118.6153175.4-62.2-90.9000110.1Q189 Y190 I192 F221 M225 D229 A254Q189-F232 CarbonylContact C-O 3.6Å; Q189-F232 VanDerWaalsContact CA-O 3.32Å; Q189-F232 WeakPolarHBondContact CA-O 2.95Å; Y190-F232 PolarHBondContact N-O 3.37Å; Y190-F232 PolarHBondContact O-N 3.16Å; I192-F232 HydrophobicContact CD1-CD2 3.93Å; I192-F232 HydrophobicContact CD1-CE2 3.49Å; I192-F232 VanDerWaalsContact CD1-CE2 3.49Å; I192-F232 HydrophobicContact CG1-CD2 4.29Å; I192-F232 HydrophobicContact CG1-CE2 4.21Å; F221-F232 HydrophobicContact CE1-CD2 4.36Å; M225-F232 HydrophobicContact CE-CE2 4.05Å; M225-F232 HydrophobicContact CE-CZ 4.15Å; D229-F232 HydrophobicContact CB-CE1 4.42Å; D229-F232 HydrophobicContact CB-CZ 4.08Å; D229-F232 WeakPolarHBondContact O-CE2 3.09Å; D229-F232 WeakPolarHBondContact O-CZ 3.21Å; F232-A254 HydrophobicContact CB-CB 3.83Å; F232-A254 HydrophobicContact CG-CB 4.38Å
233C89.6Confident70Confident1 Ų163.9 Ų63.91%0.00736%0.359CS..EExtended strand (participates in β ladder)trans-102.8144.1-179.9-73.30000110.6Y138 W185 E255 C257Y138-C233 HydrophobicContact CD1-CB 4.45Å; Y138-C233 WeakPolarHBondContact CD1-SG 3.47Å; Y138-C233 HydrophobicContact CD2-CB 3.52Å; Y138-C233 VanDerWaalsContact CD2-SG 3.59Å; Y138-C233 HydrophobicContact CE2-CB 3.89Å; Y138-C233 HydrophobicContact CG-CB 3.8Å; W185-C233 HydrophobicContact CE3-CB 4.01Å; W185-C233 HydrophobicContact CH2-CB 4.06Å; W185-C233 HydrophobicContact CZ3-CB 3.4Å; W185-C233 VanDerWaalsContact CZ3-CB 3.4Å; C233-E255 PolarHBondContact N-O 2.93Å; C233-E255 PolarHBondContact O-N 3.45Å; C233-C257 HydrophobicContact CB-CB 3.94Å; C233-C257 WeakPolarHBondContact CB-SG 3.11Å; C233-C257 PolarHBondContact N-SG 3.31Å; C233-C257 VanDerWaalsContact N-SG 3.41Å; C233-C257 WeakPolarHBondContact SG-CB 3.12Å; C233-C257 CovalentContact SG-SG 2.03Å; C233-C257 PolarHBondContact SG-SG 3.29Å
234A89.9Confident69.3Low0 Ų067 Ų670%037%0.372CS..EExtended strand (participates in β ladder)trans-79.9127.7-176.100000112.8V186 Y188 W203 H253V186-A234 HydrophobicContact CG2-CB 3.65Å; V186-A234 WeakPolarHBondContact CG2-O 3.02Å; V186-A234 PolarHBondContact N-O 3.12Å; Y188-A234 WeakPolarHBondContact O-CB 3.3Å; Y188-A234 PolarHBondContact O-N 2.82Å; W203-A234 HydrophobicContact CE3-CB 4.38Å; W203-A234 HydrophobicContact CH2-CB 3.76Å; W203-A234 HydrophobicContact CZ3-CB 3.46Å; W203-A234 VanDerWaalsContact CZ3-CB 3.46Å; A234-H253 WeakPolarHBondContact CA-O 3.49Å
235Q89.9Confident68.7Low6 Ų673.3 Ų73.33%0.02838%0.375CS..EExtended strand (participates in β ladder)trans-112.2123.2166.6-66.5-176.9-13.200110.4K183 L184 W185 H253 E255K183-Q235 HydrophobicContact CB-CB 4.39Å; L184-Q235 CarbonylContact O-C 3.59Å; L184-Q235 WeakPolarHBondContact O-CA 3.12Å; W185-Q235 HydrophobicContact CD2-CG 4.03Å; W185-Q235 HydrophobicContact CE3-CG 3.4Å; W185-Q235 VanDerWaalsContact CE3-CG 3.4Å; W185-Q235 HydrophobicContact CH2-CG 3.76Å; W185-Q235 HydrophobicContact CZ2-CG 4.34Å; W185-Q235 HydrophobicContact CZ3-CG 3.25Å; Q235-H253 HydrophobicContact CB-CB 4.23Å; Q235-H253 PolarHBondContact N-O 2.74Å; Q235-H253 PolarHBondContact O-N 3.46Å; Q235-E255 HydrophobicContact CG-CB 4.15Å
236L88.4Confident68Low0 Ų076.3 Ų76.30%039%0.387CS..EExtended strand (participates in β ladder)trans-87.7116.4170.3-17964.9000108.8F155 L161 L165 K183 L184 V186 H250 W252F155-L236 HydrophobicContact CE2-CD2 4.31Å; F155-L236 HydrophobicContact CZ-CD2 4.18Å; L161-L236 HydrophobicContact CD1-CD2 4.01Å; L165-L236 HydrophobicContact CD2-CD2 4.41Å; K183-L236 WeakPolarHBondContact CA-O 2.91Å; L184-L236 PolarHBondContact N-O 3.24Å; L184-L236 PolarHBondContact O-N 3.4Å; V186-L236 HydrophobicContact CG1-CB 3.88Å; V186-L236 HydrophobicContact CG1-CD2 4.4Å; V186-L236 HydrophobicContact CG2-CB 4.21Å; L236-H250 HydrophobicContact CD1-CB 4.31Å; L236-W252 HydrophobicContact CD1-CD2 4.03Å; L236-W252 HydrophobicContact CD1-CE3 4.34Å; L236-W252 HydrophobicContact CD1-CH2 4.22Å; L236-W252 HydrophobicContact CD1-CZ2 3.87Å; L236-W252 HydrophobicContact CD1-CZ3 4.45Å
237Q85.1Confident67.7Low6 Ų679.7 Ų79.73%0.02840%0.397CS..EExtended strand (participates in β ladder)trans-97117.1172.9178.8167-10.300109.8Q181 R182 K183 F239 H250 S251 H253Q181-Q237 VanDerWaalsContact CG-NE2 3.28Å; R182-Q237 WeakPolarHBondContact O-CA 3.11Å; K183-Q237 HydrophobicContact CG-CB 4.21Å; K183-Q237 HydrophobicContact CG-CG 4.36Å; Q237-F239 HydrophobicContact CG-CE2 4.08Å; Q237-F239 HydrophobicContact CG-CZ 4.05Å; Q237-F239 VanDerWaalsContact NE2-CE1 3.33Å; Q237-H250 WeakPolarHBondContact O-CA 3.37Å; Q237-S251 PolarHBondContact N-O 2.73Å; Q237-S251 PolarHBondContact O-N 3.49Å; Q237-S251 VanDerWaalsContact O-N 3.08Å; Q237-H253 PolarHBondContact OE1-CE1 2.85Å
238C74.7Confident67.5Low20 Ų2074.7 Ų74.714%0.13538%0.376CS..EExtended strand (participates in β ladder)trans-98.8125.6177.1-52.50000109.2L165 R182L165-C238 HydrophobicContact CD2-CB 4.15Å; L165-C238 VanDerWaalsContact CD2-SG 3.51Å; R182-C238 PolarHBondContact O-N 3.2Å; R182-C238 VanDerWaalsContact O-N 3.13Å
239F66Low67.9Low60 Ų6073 Ų7326%0.26337%0.366SS..PPolyproline II helixtrans-95.8121.9171.4-65.5-82.6000109.5Q181 Q237 F241 L249 S251Q181-F239 HydrophobicContact CG-CE1 4.12Å; Q237-F239 HydrophobicContact CG-CE2 4.08Å; Q237-F239 HydrophobicContact CG-CZ 4.05Å; Q237-F239 VanDerWaalsContact NE2-CE1 3.33Å; F239-F241 HydrophobicContact CB-CD2 4.15Å; F239-F241 HydrophobicContact CB-CE2 3.79Å; F239-F241 HydrophobicContact CD1-CE2 4.06Å; F239-F241 HydrophobicContact CD1-CZ 4.28Å; F239-F241 HydrophobicContact CG-CE2 4.23Å; F239-L249 HydrophobicContact CB-CB 4.16Å; F239-L249 WeakPolarHBondContact CB-O 3.34Å; F239-L249 HydrophobicContact CD2-CB 4.21Å; F239-L249 WeakPolarHBondContact CD2-O 3.22Å; F239-L249 PolarHBondContact N-O 3.5Å; F239-S251 WeakPolarHBondContact CE2-OG 3.23Å
240H55.5Low68.3Low88 Ų8873.3 Ų73.341%0.40737%0.366SS..  trans-113.1103.8174.1-173.882.2000108.7E168E168-H240 IonicContact OE1-CE1 2.84Å
241F54.4Low68.6Low96 Ų9669.4 Ų69.442%0.42135%0.346SS..  trans-108.9112173.6-68.2-71.9000109.2F239 T243 L244F239-F241 HydrophobicContact CB-CD2 4.15Å; F239-F241 HydrophobicContact CB-CE2 3.79Å; F239-F241 HydrophobicContact CD1-CE2 4.06Å; F239-F241 HydrophobicContact CD1-CZ 4.28Å; F239-F241 HydrophobicContact CG-CE2 4.23Å; F241-T243 PolarHBondContact O-N 2.95Å; F241-L244 HydrophobicContact CB-CB 4.3Å; F241-L244 PolarHBondContact O-N 3.48Å
242P51.1Low68.7Low111 Ų11166.8 Ų66.872%0.72133%0.33SS*.THydrogen-bonded Turntrans-59.7-16.3-179.1-23.732.2000114.5
243T50.5Low68.7Low126 Ų12667.4 Ų67.477%0.77333%0.333SS*.THydrogen-bonded Turntrans-105.8-12.5-17151.70000114.7F241F241-T243 PolarHBondContact O-N 2.95Å
244L48.2Very low68.6Low108 Ų10867.3 Ų67.357%0.56533%0.332SS*.  trans-114.9111.5-179.4-83.9160.6000109.4F241 H246F241-L244 HydrophobicContact CB-CB 4.3Å; F241-L244 PolarHBondContact O-N 3.48Å; L244-H246 PolarHBondContact O-N 3.43Å
245R46Very low68.5Low232 Ų23268.2 Ų68.288%0.87534%0.336SS*.  trans-69.725.9176.2-63.8-165.8-172.9-170.23114.2
246H44.9Very low68.4Low135 Ų13569.2 Ų69.263%0.62534%0.344SS*.  trans-103.592.5172.8-75.7-53.2000108.2L244 D248 L249L244-H246 PolarHBondContact O-N 3.43Å; H246-D248 PolarHBondContact O-N 3.32Å; H246-L249 HydrophobicContact CB-CD1 4.49Å
247H52.8Low68.4Low130 Ų13069.6 Ų69.660%0.60235%0.347SS*.THydrogen-bonded Turntrans-72.415.3-178-69.7-80000114.1
248D53.9Low68.6Low85 Ų8577.4 Ų77.446%0.45538%0.377SS..THydrogen-bonded Turntrans-116.50.4-167.2-60.9-50.5000114.4R162 H246 H250R162-D248 IonicContact NE-OD1 3.69Å; H246-D248 PolarHBondContact O-N 3.32Å; D248-H250 PolarHBondContact O-N 2.94Å; D248-H250 PolarHBondContact O-ND1 2.94Å
249L67.7Low69.3Low102 Ų10281.3 Ų81.353%0.53439%0.394SS..  trans-77.5100.8176-88.191.7000110.8F239 H246F239-L249 HydrophobicContact CB-CB 4.16Å; F239-L249 WeakPolarHBondContact CB-O 3.34Å; F239-L249 HydrophobicContact CD2-CB 4.21Å; F239-L249 WeakPolarHBondContact CD2-O 3.22Å; F239-L249 PolarHBondContact N-O 3.5Å; H246-L249 HydrophobicContact CB-CD1 4.49Å
250H78.4Confident70.4Confident64 Ų6485.9 Ų85.930%0.29641%0.413SS..EExtended strand (participates in β ladder)trans-136.9152.6170.763.6-70.9000109L165 L236 Q237 D248 W252L165-H250 HydrophobicContact CD1-CB 3.85Å; L165-H250 HydrophobicContact CD2-CB 3.73Å; L165-H250 HydrophobicContact CG-CB 4.47Å; L236-H250 HydrophobicContact CD1-CB 4.31Å; Q237-H250 WeakPolarHBondContact O-CA 3.37Å; D248-H250 PolarHBondContact O-N 2.94Å; D248-H250 PolarHBondContact O-ND1 2.94Å; H250-W252 AromaticContact CD2-NE1 3.4Å; H250-W252 PolarHBondContact CD2-NE1 3.26Å; H250-W252 AromaticContact NE2-NE1 3.66Å
251S83.6Confident72Confident20 Ų2082.3 Ų82.314%0.1440%0.398CS..EExtended strand (participates in β ladder)trans-140.1138.7179.851.50000110.3Q237 F239 H253Q237-S251 PolarHBondContact N-O 2.73Å; Q237-S251 PolarHBondContact O-N 3.49Å; Q237-S251 VanDerWaalsContact O-N 3.08Å; F239-S251 WeakPolarHBondContact CE2-OG 3.23Å; S251-H253 PolarHBondContact O-ND1 3.35Å; S251-H253 PolarHBondContact OG-CE1 3.08Å
252W85.8Confident73.7Confident8 Ų879.1 Ų79.13%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-96.5129-178.9-65.287000109.5F155 L161 V186 Y188 P216 P217 I220 L236 H250F155-W252 AromaticContact CD2-CH2 3.91Å; F155-W252 HydrophobicContact CD2-CH2 3.91Å; F155-W252 AromaticContact CE2-CH2 3.82Å; F155-W252 HydrophobicContact CE2-CH2 3.82Å; L161-W252 HydrophobicContact CD1-CZ2 4.11Å; L161-W252 HydrophobicContact CD2-CZ2 4.01Å; V186-W252 HydrophobicContact CG2-CE3 4.44Å; V186-W252 HydrophobicContact CG2-CZ3 3.77Å; Y188-W252 HydrophobicContact CD2-CH2 4.44Å; Y188-W252 AromaticContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CD2-CZ3 3.97Å; Y188-W252 HydrophobicContact CE2-CH2 4.08Å; Y188-W252 HydrophobicContact CE2-CZ3 4.08Å; P216-W252 HydrophobicContact CB-CD2 3.3Å; P216-W252 HydrophobicContact CB-CE3 3.36Å; P216-W252 HydrophobicContact CB-CG 3.82Å; P216-W252 HydrophobicContact CB-CH2 3.87Å; P216-W252 HydrophobicContact CB-CZ2 3.85Å; P216-W252 HydrophobicContact CB-CZ3 3.63Å; P216-W252 HydrophobicContact CG-CD2 4.24Å; P216-W252 HydrophobicContact CG-CE3 3.79Å; P216-W252 HydrophobicContact CG-CH2 4.31Å; P216-W252 HydrophobicContact CG-CZ3 3.81Å; P217-W252 HydrophobicContact CG-CG 4.34Å; I220-W252 PolarHBondContact N-O 3.26Å; L236-W252 HydrophobicContact CD1-CD2 4.03Å; L236-W252 HydrophobicContact CD1-CE3 4.34Å; L236-W252 HydrophobicContact CD1-CH2 4.22Å; L236-W252 HydrophobicContact CD1-CZ2 3.87Å; L236-W252 HydrophobicContact CD1-CZ3 4.45Å; H250-W252 AromaticContact CD2-NE1 3.4Å; H250-W252 PolarHBondContact CD2-NE1 3.26Å; H250-W252 AromaticContact NE2-NE1 3.66Å
253H86.4Confident75.6Confident17 Ų1773.9 Ų73.98%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-119.6142179.2-63.782.3000111I220 A234 Q235 Q237 S251I220-H253 CarbonylContact O-C 3.56Å; I220-H253 WeakPolarHBondContact O-CA 3.46Å; A234-H253 WeakPolarHBondContact CA-O 3.49Å; Q235-H253 HydrophobicContact CB-CB 4.23Å; Q235-H253 PolarHBondContact N-O 2.74Å; Q235-H253 PolarHBondContact O-N 3.46Å; Q237-H253 PolarHBondContact OE1-CE1 2.85Å; S251-H253 PolarHBondContact O-ND1 3.35Å; S251-H253 PolarHBondContact OG-CE1 3.08Å
254A87.4Confident77.5Confident0 Ų067.9 Ų67.90%032%0.317CS..EExtended strand (participates in β ladder)trans-98.8118.9165.300000108P219 I220 F221 A222 F232P219-A254 HydrophobicContact CB-CB 3.54Å; P219-A254 HydrophobicContact CG-CB 4.02Å; I220-A254 PolarHBondContact O-N 3.31Å; F221-A254 HydrophobicContact CD1-CB 3.89Å; F221-A254 HydrophobicContact CE1-CB 3.92Å; A222-A254 PolarHBondContact N-O 2.89Å; F232-A254 HydrophobicContact CB-CB 3.83Å; F232-A254 HydrophobicContact CG-CB 4.38Å
255E88.3Confident79.5Confident18 Ų1862.7 Ų62.78%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-128.7158.5-177.4-172.959.4-103.200109.9W185 A222 S223 C233 Q235 C257 E259W185-E255 HydrophobicContact CH2-CB 3.99Å; W185-E255 HydrophobicContact CH2-CG 4.17Å; W185-E255 HydrophobicContact CZ3-CB 4.35Å; A222-E255 WeakPolarHBondContact CB-OE2 2.91Å; S223-E255 VanDerWaalsContact CB-OE1 3.26Å; S223-E255 WeakPolarHBondContact CB-OE1 3.32Å; S223-E255 PolarHBondContact OG-OE1 3.24Å; C233-E255 PolarHBondContact N-O 2.93Å; C233-E255 PolarHBondContact O-N 3.45Å; Q235-E255 HydrophobicContact CG-CB 4.15Å; E255-C257 PolarHBondContact O-N 2.87Å; E255-E259 HydrophobicContact CG-CB 3.98Å; E255-E259 HydrophobicContact CG-CG 3.9Å
256S88.1Confident81.4Confident27 Ų2752.7 Ų52.719%0.18925%0.252CS..  trans-59.7129.5174.2-174.60000110.5W185 Y258 E259W185-S256 WeakPolarHBondContact CH2-O 3.12Å; S256-Y258 PolarHBondContact O-N 2.8Å; S256-E259 WeakPolarHBondContact O-CB 3.31Å; S256-E259 PolarHBondContact O-N 3.43Å
257C88.4Confident83.2Confident9 Ų948.1 Ų48.16%0.06123%0.23CC..THydrogen-bonded Turntrans-60.9-15.7-178.6-59.40000114Y138 C233 E255Y138-C257 WeakPolarHBondContact CB-O 3.37Å; Y138-C257 PolarHBondContact N-O 3.39Å; Y138-C257 VanDerWaalsContact N-O 3.09Å; C233-C257 HydrophobicContact CB-CB 3.94Å; C233-C257 WeakPolarHBondContact CB-SG 3.11Å; C233-C257 PolarHBondContact N-SG 3.31Å; C233-C257 VanDerWaalsContact N-SG 3.41Å; C233-C257 WeakPolarHBondContact SG-CB 3.12Å; C233-C257 CovalentContact SG-SG 2.03Å; C233-C257 PolarHBondContact SG-SG 3.29Å; E255-C257 PolarHBondContact O-N 2.87Å
258Y88.8Confident84Confident169 Ų16945.1 Ų45.166%0.66322%0.224SC*.THydrogen-bonded Turntrans-84.9-11.4177.9-58.3-69.5000113.5S256S256-Y258 PolarHBondContact O-N 2.8Å
259E88.4Confident84.6Confident103 Ų10342.9 Ų42.948%0.48121%0.211SC..SBendtrans-66.8152.2175.6-80.2-63.9166.500111.8N137 W185 E255 S256N137-E259 WeakPolarHBondContact CA-O 3.47Å; W185-E259 HydrophobicContact CH2-CB 4.5Å; W185-E259 HydrophobicContact CZ2-CB 4.09Å; W185-E259 VanDerWaalsContact CZ2-O 3.29Å; W185-E259 WeakPolarHBondContact CZ2-O 3.45Å; E255-E259 HydrophobicContact CG-CB 3.98Å; E255-E259 HydrophobicContact CG-CG 3.9Å; S256-E259 WeakPolarHBondContact O-CB 3.31Å; S256-E259 PolarHBondContact O-N 3.43Å
260K89.3Confident84.4Confident156 Ų15640 Ų4068%0.67820%0.197SC*.  trans-97.8120.3179.1-68.1-176.9-179.1-176.40110E136E136-K260 WeakPolarHBondContact O-CA 3.48Å
261S88.9Confident84.1Confident13 Ų1337.1 Ų37.19%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-144165.2175.190.20000111.3E136 W185E136-S261 PolarHBondContact N-O 3.31Å; E136-S261 VanDerWaalsContact N-O 3.12Å; E136-S261 PolarHBondContact O-N 3.09Å; W185-S261 VanDerWaalsContact CD2-OG 3.3Å; W185-S261 PolarHBondContact NE1-OG 3.11Å
262S90.4Very high83.5Confident29 Ų2938.9 Ų38.920%0.20319%0.194CC..EExtended strand (participates in β ladder)trans-66158.2171.6-59.40000109.4Y132 L184 W185Y132-S262 WeakPolarHBondContact O-CA 3.11Å; Y132-S262 WeakPolarHBondContact O-CB 3.33Å; L184-S262 CarbonylContact C-O 3.4Å; L184-S262 VanDerWaalsContact CA-O 3.26Å; L184-S262 WeakPolarHBondContact CA-O 3.28Å; W185-S262 PolarHBondContact N-O 3.4Å
263F90.9Very high83Confident0 Ų039.7 Ų39.70%020%0.199CC..EExtended strand (participates in β ladder)trans-137.8152.7-174.658.4-87000112.5V131 Y132 S134 E136 A141 T144 L152 W185V131-F263 WeakPolarHBondContact CA-O 3.4Å; Y132-F263 VanDerWaalsContact CB-CE2 3.45Å; Y132-F263 HydrophobicContact CD1-CZ 4.41Å; Y132-F263 HydrophobicContact CD2-CD2 4.1Å; Y132-F263 AromaticContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CE2 3.57Å; Y132-F263 HydrophobicContact CD2-CZ 4.18Å; Y132-F263 HydrophobicContact CG-CD2 4.34Å; Y132-F263 AromaticContact CG-CE2 3.61Å; Y132-F263 HydrophobicContact CG-CE2 3.61Å; Y132-F263 AromaticContact CG-CZ 3.72Å; Y132-F263 HydrophobicContact CG-CZ 3.72Å; Y132-F263 PolarHBondContact N-O 2.78Å; Y132-F263 PolarHBondContact O-N 2.84Å; S134-F263 VanDerWaalsContact OG-CE1 3.3Å; S134-F263 WeakPolarHBondContact OG-CE1 3.33Å; E136-F263 HydrophobicContact CB-CD1 4.25Å; E136-F263 HydrophobicContact CB-CE1 4Å; E136-F263 VanDerWaalsContact CD-CE1 3.48Å; E136-F263 HydrophobicContact CG-CE1 4.07Å; A141-F263 HydrophobicContact CB-CB 3.77Å; A141-F263 HydrophobicContact CB-CD1 3.69Å; A141-F263 HydrophobicContact CB-CD2 3.99Å; A141-F263 HydrophobicContact CB-CE1 4.2Å; A141-F263 HydrophobicContact CB-CE2 4.47Å; A141-F263 HydrophobicContact CB-CG 3.56Å; T144-F263 HydrophobicContact CG2-CE2 3.97Å; T144-F263 HydrophobicContact CG2-CZ 3.75Å; L152-F263 HydrophobicContact CD2-CB 4.16Å; W185-F263 HydrophobicContact CB-CB 3.78Å; W185-F263 HydrophobicContact CG-CB 4.48Å
264L90.9Very high82.6Confident0 Ų040.4 Ų40.40%020%0.203CC..EExtended strand (participates in β ladder)trans-109.7117.6178.6179.368000109.2Y129 V131 A153 F155 V164 W169 W185 V186Y129-L264 HydrophobicContact CD1-CD1 4.27Å; Y129-L264 HydrophobicContact CD1-CD2 4.3Å; Y129-L264 HydrophobicContact CD1-CG 4.35Å; V131-L264 HydrophobicContact CG2-CB 4.31Å; V131-L264 HydrophobicContact CG2-CD1 3.51Å; V131-L264 HydrophobicContact CG2-CG 4.49Å; A153-L264 HydrophobicContact CB-CB 4.02Å; A153-L264 HydrophobicContact CB-CD2 3.46Å; A153-L264 VanDerWaalsContact CB-CD2 3.46Å; A153-L264 HydrophobicContact CB-CG 3.45Å; A153-L264 VanDerWaalsContact CB-CG 3.45Å; A153-L264 WeakPolarHBondContact CB-O 3.33Å; A153-L264 PolarHBondContact N-O 3.46Å; F155-L264 HydrophobicContact CE1-CD2 4.27Å; F155-L264 HydrophobicContact CZ-CD2 3.91Å; V164-L264 HydrophobicContact CG1-CD2 3.56Å; V164-L264 HydrophobicContact CG2-CD2 4.4Å; W169-L264 HydrophobicContact CE3-CD1 4.25Å; W169-L264 HydrophobicContact CH2-CD1 3.22Å; W169-L264 HydrophobicContact CZ2-CD1 3.98Å; W169-L264 HydrophobicContact CZ3-CD1 3.38Å; W185-L264 PolarHBondContact O-N 2.04Å; V186-L264 HydrophobicContact CG1-CD2 4.48Å
265C90.1Very high81.7Confident0 Ų047.4 Ų47.40%023%0.233CC..EExtended strand (participates in β ladder)trans-93.1136.3171.6-60.30000110.2W119 Y129 R130 Y132 C145 S151W119-C265 HydrophobicContact CH2-CB 3.81Å; W119-C265 HydrophobicContact CZ3-CB 4.15Å; Y129-C265 WeakPolarHBondContact CA-O 3.29Å; R130-C265 PolarHBondContact N-O 2.72Å; R130-C265 PolarHBondContact O-N 3.25Å; Y132-C265 HydrophobicContact CD2-CB 4.48Å; Y132-C265 HydrophobicContact CE2-CB 4.21Å; C145-C265 VanDerWaalsContact CA-SG 3.51Å; C145-C265 HydrophobicContact CB-CB 3.87Å; C145-C265 WeakPolarHBondContact CB-SG 3.45Å; C145-C265 VanDerWaalsContact SG-CA 3.51Å; C145-C265 WeakPolarHBondContact SG-CB 3.5Å; C145-C265 CovalentContact SG-SG 2.04Å; C145-C265 PolarHBondContact SG-SG 2.76Å; S151-C265 WeakPolarHBondContact O-CA 3.43Å
266K87.1Confident80.8Confident21 Ų2152.1 Ų52.19%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-110.1138.8166.4178177.4178161.40108.7S127 C128 Y129 G150 S151 A153 T154 E160S127-K266 VanDerWaalsContact OG-CE 3.26Å; S127-K266 WeakPolarHBondContact OG-CE 3.06Å; C128-K266 CarbonylContact O-C 3.46Å; C128-K266 WeakPolarHBondContact O-CA 3.36Å; Y129-K266 HydrophobicContact CD1-CB 4.08Å; Y129-K266 HydrophobicContact CD1-CG 4.37Å; Y129-K266 HydrophobicContact CE1-CB 3.72Å; Y129-K266 HydrophobicContact CE1-CD 3.87Å; Y129-K266 HydrophobicContact CE1-CG 3.75Å; Y129-K266 WeakPolarHBondContact OH-CD 3.2Å; Y129-K266 WeakPolarHBondContact OH-CE 3.07Å; Y129-K266 PolarHBondContact OH-NZ 2.78Å; G150-K266 CarbonylContact C-O 3.39Å; G150-K266 WeakPolarHBondContact CA-O 3.31Å; S151-K266 PolarHBondContact N-O 2.79Å; S151-K266 PolarHBondContact O-N 2.86Å; S151-K266 VanDerWaalsContact O-O 3.05Å; A153-K266 HydrophobicContact CB-CB 3.81Å; T154-K266 WeakPolarHBondContact O-CD 3.29Å; T154-K266 PolarHBondContact O-NZ 3.05Å; E160-K266 IonicContact OE1-NZ 2.95Å; E160-K266 PolarHBondContact OE1-NZ 3.04Å; E160-K266 IonicContact OE2-NZ 2.84Å; E160-K266 PolarHBondContact OE2-NZ 3.14Å
267R82.4Confident79.8Confident39 Ų3955.1 Ų55.115%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-124.8115.4164.3177.1169.665.8-136.8-25.4106.9W119 C128 L148 N149 Q269W119-R267 HydrophobicContact CH2-CB 4.38Å; W119-R267 HydrophobicContact CZ3-CB 4.04Å; C128-R267 HydrophobicContact CB-CB 4.3Å; C128-R267 WeakPolarHBondContact CB-O 3.46Å; C128-R267 PolarHBondContact N-O 3.35Å; C128-R267 PolarHBondContact O-N 2.76Å; L148-R267 PolarHBondContact O-NH1 3.33Å; N149-R267 WeakPolarHBondContact O-CD 3.38Å; N149-R267 WeakPolarHBondContact O-CG 3.02Å; R267-Q269 PolarHBondContact O-N 3.48Å
268S69.8Low78.9Confident68 Ų6857.7 Ų57.748%0.47629%0.288SS..EExtended strand (participates in β ladder)trans-57.6137.2163.343.60000107.5T270S268-T270 PolarHBondContact O-N 3.3Å
269Q66.6Low78Confident38 Ų3850.6 Ų50.618%0.17826%0.263CS..  trans-57.4118.9171.2-169.4177.3-31.400106.6A126 R267 G301A126-Q269 HydrophobicContact CB-CB 4.05Å; A126-Q269 WeakPolarHBondContact O-CA 3.4Å; A126-Q269 WeakPolarHBondContact O-CB 3.07Å; A126-Q269 PolarHBondContact O-N 3.39Å; R267-Q269 PolarHBondContact O-N 3.48Å; Q269-G301 VanDerWaalsContact C-CA 3.46Å; Q269-G301 WeakPolarHBondContact CG-O 3.04Å; Q269-G301 PolarHBondContact NE2-O 2.93Å; Q269-G301 WeakPolarHBondContact O-CA 3.38Å; Q269-G301 PolarHBondContact O-N 2.97Å
270T63.3Low76.9Confident41 Ų4151 Ų5125%0.25227%0.268SS..  trans-117142.4177.2480000107S268 V272 V278S268-T270 PolarHBondContact O-N 3.3Å; T270-V272 PolarHBondContact O-N 2.93Å; T270-V278 HydrophobicContact CG2-CG1 4.14Å
271C72.1Confident76.1Confident3 Ų348.6 Ų48.62%0.0226%0.259CS..EExtended strand (participates in β ladder)trans-71133.9179.6-61.80000109.3V279 F285 C298 G301C271-V279 HydrophobicContact CB-CB 4.32Å; C271-V279 PolarHBondContact O-N 2.81Å; C271-F285 HydrophobicContact CB-CD1 3.66Å; C271-F285 HydrophobicContact CB-CD2 3.88Å; C271-F285 HydrophobicContact CB-CE1 3.39Å; C271-F285 HydrophobicContact CB-CE2 3.6Å; C271-F285 HydrophobicContact CB-CG 3.91Å; C271-F285 HydrophobicContact CB-CZ 3.35Å; C271-F285 WeakPolarHBondContact SG-CE1 3.36Å; C271-F285 WeakPolarHBondContact SG-CZ 3.34Å; C271-C298 HydrophobicContact CB-CB 3.5Å; C271-C298 WeakPolarHBondContact CB-SG 3.49Å; C271-C298 PolarHBondContact N-SG 3.03Å; C271-C298 WeakPolarHBondContact SG-CA 3.05Å; C271-C298 WeakPolarHBondContact SG-CB 3.41Å; C271-C298 CovalentContact SG-SG 2.02Å; C271-C298 PolarHBondContact SG-SG 3.32Å; C271-G301 VanDerWaalsContact SG-C 3.56Å
272V69.6Low75.2Confident58 Ų5849.9 Ų49.935%0.35227%0.274SS..EExtended strand (participates in β ladder)trans-113.7121.3177.8-175.10000108.5T270 N277T270-V272 PolarHBondContact O-N 2.93Å; V272-N277 WeakPolarHBondContact CA-O 3.36Å
273D76.8Confident74.5Confident24 Ų2454.5 Ų54.513%0.12829%0.291CS..BIsolated β-bridgetrans-69161.6178-17432.7000111.6K275 D276 N277 V279 F285 T286 K288D273-K275 PolarHBondContact O-N 3.47Å; D273-D276 WeakPolarHBondContact O-CA 3.5Å; D273-D276 PolarHBondContact O-N 2.88Å; D273-N277 HydrophobicContact CB-CB 4.31Å; D273-N277 PolarHBondContact N-O 2.8Å; D273-V279 HydrophobicContact CB-CG2 4.1Å; D273-F285 HydrophobicContact CB-CB 4.39Å; D273-T286 CarbonylContact C-O 3.54Å; D273-T286 WeakPolarHBondContact CA-O 3.5Å; D273-T286 WeakPolarHBondContact OD1-CA 3.46Å; D273-T286 WeakPolarHBondContact OD1-CB 3.45Å; D273-T286 PolarHBondContact OD1-N 3.11Å; D273-K288 WeakPolarHBondContact O-CE 3.47Å
274I76.6Confident74Confident32 Ų3262 Ų6216%0.16432%0.32CS..THydrogen-bonded Turntrans-56.7-19.6176.9-165.5169.3000113.4T286 K288 P292 P324I274-T286 HydrophobicContact CB-CG2 4.14Å; I274-T286 HydrophobicContact CG2-CG2 3.96Å; I274-T286 PolarHBondContact N-O 3.02Å; I274-K288 PolarHBondContact O-NZ 2.94Å; I274-P292 HydrophobicContact CD1-CB 4.33Å; I274-P324 WeakPolarHBondContact CD1-O 3.28Å
275K69Low73.7Confident148 Ų14862.5 Ų62.564%0.64332%0.323SS*.THydrogen-bonded Turntrans-92.111.3174.8-63.8176.7-176.4172.50114.4D273 N277D273-K275 PolarHBondContact O-N 3.47Å; K275-N277 PolarHBondContact O-N 3.02Å
276D69.1Low73.3Confident116 Ų11663.8 Ų63.862%0.6233%0.331SS*.SBendtrans65.221.8-177.6-60-60.7000114.4D273 K288D273-D276 WeakPolarHBondContact O-CA 3.5Å; D273-D276 PolarHBondContact O-N 2.88Å; D276-K288 WeakPolarHBondContact OD1-CE 3.16Å; D276-K288 IonicContact OD1-NZ 3.6Å; D276-K288 PolarHBondContact OD1-NZ 3.43Å; D276-K288 IonicContact OD2-NZ 2.76Å; D276-K288 PolarHBondContact OD2-NZ 3.41Å
277N68Low73.1Confident91 Ų9163.2 Ų63.249%0.48733%0.329SS..  trans-85.5136.4174.1-60.3-42.8000109.9V272 D273 K275V272-N277 WeakPolarHBondContact CA-O 3.36Å; D273-N277 HydrophobicContact CB-CB 4.31Å; D273-N277 PolarHBondContact N-O 2.8Å; K275-N277 PolarHBondContact O-N 3.02Å
278V68.7Low72.5Confident63 Ų6365.7 Ų65.738%0.38234%0.341SS..EExtended strand (participates in β ladder)trans-75.1130.6170.4-175.60000108.2T270T270-V278 HydrophobicContact CG2-CG1 4.14Å
279V71.1Confident72.5Confident20 Ų2064.8 Ų64.812%0.12134%0.342CS..EExtended strand (participates in β ladder)trans-113.6132.1-180-177.60000109.3C271 D273 F283 F285C271-V279 HydrophobicContact CB-CB 4.32Å; C271-V279 PolarHBondContact O-N 2.81Å; D273-V279 HydrophobicContact CB-CG2 4.1Å; V279-F283 HydrophobicContact CG1-CB 3.52Å; V279-F285 HydrophobicContact CB-CB 3.99Å; V279-F285 HydrophobicContact CG1-CB 4.02Å; V279-F285 HydrophobicContact CG2-CB 3.61Å; V279-F285 HydrophobicContact CG2-CG 4.47Å
280D65.4Low72.1Confident110 Ų11070.6 Ų70.659%0.58838%0.375SS*.  trans-72.3159.8179.6-62.9-42.2000111.7G282 F283D280-G282 PolarHBondContact O-N 3.04Å; D280-F283 HydrophobicContact CB-CD2 3.68Å; D280-F283 HydrophobicContact CB-CE2 3.98Å; D280-F283 WeakPolarHBondContact O-CB 3.27Å; D280-F283 PolarHBondContact O-N 2.99Å
281E72.3Confident72.5Confident106 Ų10672.3 Ų72.350%0.49538%0.382SS..THydrogen-bonded Turntrans-55.6135.3177.3-17371.3-174.900111.7F283 H299 G300E281-F283 VanDerWaalsContact C-N 3.27Å; E281-F283 WeakPolarHBondContact O-CD2 3.43Å; E281-F283 PolarHBondContact O-N 3.31Å; E281-H299 WeakPolarHBondContact OE1-CA 3.16Å; E281-H299 IonicContact OE1-CE1 2.69Å; E281-H299 IonicContact OE1-CG 3.94Å; E281-H299 IonicContact OE1-ND1 2.65Å; E281-H299 PolarHBondContact OE1-ND1 3.29Å; E281-G300 VanDerWaalsContact CD-N 3.29Å; E281-G300 PolarHBondContact OE1-N 3.07Å; E281-G300 PolarHBondContact OE2-N 2.86Å
282G68.8Low72.6Confident40 Ų4072.8 Ų72.841%0.41239%0.385SS..THydrogen-bonded Turntrans80.4-3.8179.700000115.2D280 C298D280-G282 PolarHBondContact O-N 3.04Å; G282-C298 PolarHBondContact N-O 2.88Å
283F75.8Confident73.2Confident126 Ų12671 Ų7155%0.55338%0.375SS*.  trans-91.7152.7176.7-71.7-91.1000112.5V279 D280 E281 C298V279-F283 HydrophobicContact CG1-CB 3.52Å; D280-F283 HydrophobicContact CB-CD2 3.68Å; D280-F283 HydrophobicContact CB-CE2 3.98Å; D280-F283 WeakPolarHBondContact O-CB 3.27Å; D280-F283 PolarHBondContact O-N 2.99Å; E281-F283 VanDerWaalsContact C-N 3.27Å; E281-F283 WeakPolarHBondContact O-CD2 3.43Å; E281-F283 PolarHBondContact O-N 3.31Å; F283-C298 PolarHBondContact O-N 3.48Å
284Y81.7Confident73.5Confident157 Ų15771.2 Ų71.262%0.61638%0.376SS*.EExtended strand (participates in β ladder)trans-80.1135.9177.1-65.4-92.6000111.2C296 T297Y284-C296 CarbonylContact C-O 3.55Å; Y284-C296 VanDerWaalsContact CA-O 3.27Å; Y284-C296 WeakPolarHBondContact CA-O 3.14Å; Y284-T297 HydrophobicContact CD1-CG2 3.59Å; Y284-T297 HydrophobicContact CD2-CG2 4.42Å; Y284-T297 HydrophobicContact CE1-CG2 3.3Å; Y284-T297 HydrophobicContact CE2-CG2 4.17Å; Y284-T297 HydrophobicContact CG-CG2 4.15Å
285F82.8Confident73.8Confident11 Ų1171.8 Ų71.85%0.04838%0.383CS..EExtended strand (participates in β ladder)trans-143.4161.4176.976.9-74.2000112C271 D273 V279 P287 S295 C296 C298 P303C271-F285 HydrophobicContact CB-CD1 3.66Å; C271-F285 HydrophobicContact CB-CD2 3.88Å; C271-F285 HydrophobicContact CB-CE1 3.39Å; C271-F285 HydrophobicContact CB-CE2 3.6Å; C271-F285 HydrophobicContact CB-CG 3.91Å; C271-F285 HydrophobicContact CB-CZ 3.35Å; C271-F285 WeakPolarHBondContact SG-CE1 3.36Å; C271-F285 WeakPolarHBondContact SG-CZ 3.34Å; D273-F285 HydrophobicContact CB-CB 4.39Å; V279-F285 HydrophobicContact CB-CB 3.99Å; V279-F285 HydrophobicContact CG1-CB 4.02Å; V279-F285 HydrophobicContact CG2-CB 3.61Å; V279-F285 HydrophobicContact CG2-CG 4.47Å; F285-P287 HydrophobicContact CE2-CB 3.83Å; F285-P287 HydrophobicContact CZ-CB 4.4Å; F285-S295 WeakPolarHBondContact O-CA 3.34Å; F285-C296 VanDerWaalsContact CD1-O 3.28Å; F285-C296 WeakPolarHBondContact CD1-O 3.07Å; F285-C296 HydrophobicContact CE1-CB 4.17Å; F285-C296 PolarHBondContact N-O 3.47Å; F285-C296 PolarHBondContact O-N 3.39Å; F285-C298 HydrophobicContact CD1-CB 4Å; F285-C298 HydrophobicContact CE1-CB 3.93Å; F285-P303 HydrophobicContact CE1-CB 4.06Å; F285-P303 HydrophobicContact CZ-CB 3.62Å; F285-P303 HydrophobicContact CZ-CG 4.36Å
286T83.1Confident74.5Confident28 Ų2864.7 Ų64.717%0.17235%0.352CS..  trans-98.4109172.8-540000108.4D273 I274 L294D273-T286 CarbonylContact C-O 3.54Å; D273-T286 WeakPolarHBondContact CA-O 3.5Å; D273-T286 WeakPolarHBondContact OD1-CA 3.46Å; D273-T286 WeakPolarHBondContact OD1-CB 3.45Å; D273-T286 PolarHBondContact OD1-N 3.11Å; I274-T286 HydrophobicContact CB-CG2 4.14Å; I274-T286 HydrophobicContact CG2-CG2 3.96Å; I274-T286 PolarHBondContact N-O 3.02Å; T286-L294 WeakPolarHBondContact CA-O 3.36Å; T286-L294 WeakPolarHBondContact CG2-O 3.32Å
287P81.7Confident75.1Confident9 Ų959.6 Ų59.66%0.05833%0.325CS..BIsolated β-bridgetrans-63.9151.5-179.928.7-36000111F108 F285 G289 L294F108-P287 HydrophobicContact CE1-CB 4.44Å; F108-P287 HydrophobicContact CZ-CB 4.17Å; F108-P287 HydrophobicContact CZ-CG 4.13Å; F285-P287 HydrophobicContact CE2-CB 3.83Å; F285-P287 HydrophobicContact CZ-CB 4.4Å; P287-G289 PolarHBondContact O-N 2.86Å; P287-L294 HydrophobicContact CG-CD2 3.72Å; P287-L294 HydrophobicContact CG-CG 4.23Å
288K71.3Confident75.6Confident91 Ų9155.3 Ų55.340%0.39630%0.302SS..SBendtrans-62.9107.2175-68.5-81.4-177.8178.10109.8D273 I274 D276D273-K288 WeakPolarHBondContact O-CE 3.47Å; I274-K288 PolarHBondContact O-NZ 2.94Å; D276-K288 WeakPolarHBondContact OD1-CE 3.16Å; D276-K288 IonicContact OD1-NZ 3.6Å; D276-K288 PolarHBondContact OD1-NZ 3.43Å; D276-K288 IonicContact OD2-NZ 2.76Å; D276-K288 PolarHBondContact OD2-NZ 3.41Å
289G68.1Low75.6Confident49 Ų4955.8 Ų55.851%0.50530%0.3SS..SBendtrans-166.8-171.8-179.500000112.3P287 D291P287-G289 PolarHBondContact O-N 2.86Å; G289-D291 VanDerWaalsContact C-N 3.33Å
290D59.7Low75.1Confident160 Ų16056.8 Ų56.886%0.85631%0.314SS*.SBendtrans-80.7-11.7-175.9-65.7-44.8000113.9
291D70.3Confident75Confident77 Ų7751.8 Ų51.841%0.41229%0.289SS..  trans-114.8103.9-179-78.2-47.6000111.7G289 C293 L294 K322G289-D291 VanDerWaalsContact C-N 3.33Å; D291-C293 PolarHBondContact O-N 3.3Å; D291-L294 PolarHBondContact O-N 2.92Å; D291-K322 IonicContact OD1-NZ 3.35Å; D291-K322 PolarHBondContact OD1-NZ 2.79Å
292P75.8Confident74.4Confident13 Ų1352.1 Ų52.18%0.08429%0.291CS..THydrogen-bonded Turntrans-70.7-0.5176.131.8-37.9000113.3I274 D323 C327I274-P292 HydrophobicContact CD1-CB 4.33Å; P292-D323 WeakPolarHBondContact CG-O 3.43Å; P292-C327 WeakPolarHBondContact O-CB 3.46Å
293C80.7Confident74.4Confident20 Ų2051.3 Ų51.314%0.13528%0.278CS..THydrogen-bonded Turntrans-98.1-1.5179.7-68.90000113.5D291 A308 A309 C311 C327 C328D291-C293 PolarHBondContact O-N 3.3Å; C293-A308 WeakPolarHBondContact O-CA 3.34Å; C293-A309 HydrophobicContact CB-CB 4.13Å; C293-A309 PolarHBondContact O-N 3.42Å; C293-C311 PolarHBondContact SG-SG 2.04Å; C293-C327 WeakPolarHBondContact CA-SG 3.32Å; C293-C327 HydrophobicContact CB-CB 4.05Å; C293-C327 WeakPolarHBondContact CB-SG 3.21Å; C293-C327 WeakPolarHBondContact SG-CA 3.3Å; C293-C327 WeakPolarHBondContact SG-CB 3.42Å; C293-C327 CovalentContact SG-SG 2.04Å; C293-C327 PolarHBondContact SG-SG 3.48Å; C293-C328 PolarHBondContact SG-N 2.89Å
294L83.1Confident74.3Confident28 Ų2850.3 Ų50.315%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-84118.6177.4-170.466.8000109.1T286 P287 D291 C306 A308T286-L294 WeakPolarHBondContact CA-O 3.36Å; T286-L294 WeakPolarHBondContact CG2-O 3.32Å; P287-L294 HydrophobicContact CG-CD2 3.72Å; P287-L294 HydrophobicContact CG-CG 4.23Å; D291-L294 PolarHBondContact O-N 2.92Å; L294-C306 HydrophobicContact CD1-CB 3.89Å; L294-C306 HydrophobicContact CG-CB 4.36Å; L294-A308 HydrophobicContact CD1-CB 4.01Å
295S84.4Confident74Confident44 Ų4449.8 Ų49.831%0.30828%0.28SS..EExtended strand (participates in β ladder)trans-114.5124.1173.6-174.10000109.1F285 C306 V307F285-S295 WeakPolarHBondContact O-CA 3.34Å; S295-C306 CarbonylContact O-C 3.55Å; S295-C306 WeakPolarHBondContact O-CA 3.05Å; S295-V307 PolarHBondContact N-O 3.36Å; S295-V307 PolarHBondContact O-N 3.44Å
296C83.8Confident74Confident0 Ų051.6 Ų51.60%029%0.294CS..EExtended strand (participates in β ladder)trans-123.2153.7-180-53.20000109.9Y284 F285 P303 E304 C306Y284-C296 CarbonylContact C-O 3.55Å; Y284-C296 VanDerWaalsContact CA-O 3.27Å; Y284-C296 WeakPolarHBondContact CA-O 3.14Å; F285-C296 VanDerWaalsContact CD1-O 3.28Å; F285-C296 WeakPolarHBondContact CD1-O 3.07Å; F285-C296 HydrophobicContact CE1-CB 4.17Å; F285-C296 PolarHBondContact N-O 3.47Å; F285-C296 PolarHBondContact O-N 3.39Å; C296-P303 HydrophobicContact CB-CB 3.55Å; C296-E304 WeakPolarHBondContact CB-O 3.19Å; C296-C306 HydrophobicContact CB-CB 4.08Å; C296-C306 WeakPolarHBondContact CB-SG 2.99Å; C296-C306 WeakPolarHBondContact SG-CB 3.31Å; C296-C306 CovalentContact SG-SG 2.04Å; C296-C306 PolarHBondContact SG-SG 2.84Å
297T80.4Confident73.9Confident9 Ų954.9 Ų54.96%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-85.3137.9169.249.30000109.9Y284 H299 E304Y284-T297 HydrophobicContact CD1-CG2 3.59Å; Y284-T297 HydrophobicContact CD2-CG2 4.42Å; Y284-T297 HydrophobicContact CE1-CG2 3.3Å; Y284-T297 HydrophobicContact CE2-CG2 4.17Å; Y284-T297 HydrophobicContact CG-CG2 4.15Å; T297-H299 PolarHBondContact O-N 3.37Å; T297-E304 PolarHBondContact N-O 3.38Å; T297-E304 PolarHBondContact O-N 3.38Å; T297-E304 PolarHBondContact OG1-O 3.07Å
298C78.4Confident73.9Confident1 Ų157.1 Ų57.11%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-77.6117.2174.1-169.70000110.9C271 G282 F283 F285C271-C298 HydrophobicContact CB-CB 3.5Å; C271-C298 WeakPolarHBondContact CB-SG 3.49Å; C271-C298 PolarHBondContact N-SG 3.03Å; C271-C298 WeakPolarHBondContact SG-CA 3.05Å; C271-C298 WeakPolarHBondContact SG-CB 3.41Å; C271-C298 CovalentContact SG-SG 2.02Å; C271-C298 PolarHBondContact SG-SG 3.32Å; G282-C298 PolarHBondContact N-O 2.88Å; F283-C298 PolarHBondContact O-N 3.48Å; F285-C298 HydrophobicContact CD1-CB 4Å; F285-C298 HydrophobicContact CE1-CB 3.93Å
299H68.4Low74.2Confident72 Ų7255.5 Ų55.533%0.33334%0.336SS..EExtended strand (participates in β ladder)trans-131.6120.5170.5-83.1-56.4000112.3E281 T297 G301 E302 E304E281-H299 WeakPolarHBondContact OE1-CA 3.16Å; E281-H299 IonicContact OE1-CE1 2.69Å; E281-H299 IonicContact OE1-CG 3.94Å; E281-H299 IonicContact OE1-ND1 2.65Å; E281-H299 PolarHBondContact OE1-ND1 3.29Å; T297-H299 PolarHBondContact O-N 3.37Å; H299-G301 PolarHBondContact O-N 2.89Å; H299-G301 VanDerWaalsContact O-N 3.12Å; H299-E302 PolarHBondContact N-O 2.88Å; H299-E302 PolarHBondContact O-N 2.92Å; H299-E304 HydrophobicContact CB-CB 4.23Å; H299-E304 HydrophobicContact CB-CG 3.91Å; H299-E304 WeakPolarHBondContact CB-OE2 3.03Å; H299-E304 IonicContact CD2-OE2 2.73Å; H299-E304 IonicContact CG-OE2 3.8Å
300G60.8Low74.5Confident41 Ų4161.3 Ų61.342%0.42336%0.355SS..THydrogen-bonded Turntrans58.724.4-177.100000113.6A126 E281 E302A126-G300 WeakPolarHBondContact CB-O 3.34Å; E281-G300 VanDerWaalsContact CD-N 3.29Å; E281-G300 PolarHBondContact OE1-N 3.07Å; E281-G300 PolarHBondContact OE2-N 2.86Å; G300-E302 VanDerWaalsContact C-N 3.28Å; G300-E302 PolarHBondContact O-N 2.83Å
301G63Low75.4Confident6 Ų655.7 Ų55.76%0.06233%0.327CS..THydrogen-bonded Turntrans78.96.4-173.500000115.4Q269 C271 H299Q269-G301 VanDerWaalsContact C-CA 3.46Å; Q269-G301 WeakPolarHBondContact CG-O 3.04Å; Q269-G301 PolarHBondContact NE2-O 2.93Å; Q269-G301 WeakPolarHBondContact O-CA 3.38Å; Q269-G301 PolarHBondContact O-N 2.97Å; C271-G301 VanDerWaalsContact SG-C 3.56Å; H299-G301 PolarHBondContact O-N 2.89Å; H299-G301 VanDerWaalsContact O-N 3.12Å
302E59.7Low75.7Confident112 Ų11260.5 Ų60.552%0.52335%0.348SS..EExtended strand (participates in β ladder)trans-108.1148.4172.3-65.4-161.3150.500111.6H299 G300 E304H299-E302 PolarHBondContact N-O 2.88Å; H299-E302 PolarHBondContact O-N 2.92Å; G300-E302 VanDerWaalsContact C-N 3.28Å; G300-E302 PolarHBondContact O-N 2.83Å; E302-E304 PolarHBondContact O-N 3Å
303P69.3Low75.6Confident23 Ų2366.7 Ų66.715%0.14937%0.369CS..EExtended strand (participates in β ladder)trans-72.2109.7169.726.9-30.7000110.6F108 F285 C296F108-P303 HydrophobicContact CD1-CG 4.47Å; F108-P303 HydrophobicContact CD2-CG 3.77Å; F108-P303 HydrophobicContact CE1-CG 4.03Å; F108-P303 HydrophobicContact CE2-CB 3.97Å; F108-P303 HydrophobicContact CE2-CG 3.25Å; F108-P303 HydrophobicContact CG-CG 4.36Å; F108-P303 HydrophobicContact CZ-CB 4.11Å; F108-P303 HydrophobicContact CZ-CG 3.4Å; F108-P303 VanDerWaalsContact CZ-CG 3.4Å; F285-P303 HydrophobicContact CE1-CB 4.06Å; F285-P303 HydrophobicContact CZ-CB 3.62Å; F285-P303 HydrophobicContact CZ-CG 4.36Å; C296-P303 HydrophobicContact CB-CB 3.55Å
304E74.1Confident75.1Confident106 Ų10667.6 Ų67.650%0.49538%0.375SS..EExtended strand (participates in β ladder)trans-104.3166.5168.2-70.3-163.9160.800111.4C296 T297 H299 E302 C306C296-E304 WeakPolarHBondContact CB-O 3.19Å; T297-E304 PolarHBondContact N-O 3.38Å; T297-E304 PolarHBondContact O-N 3.38Å; T297-E304 PolarHBondContact OG1-O 3.07Å; H299-E304 HydrophobicContact CB-CB 4.23Å; H299-E304 HydrophobicContact CB-CG 3.91Å; H299-E304 WeakPolarHBondContact CB-OE2 3.03Å; H299-E304 IonicContact CD2-OE2 2.73Å; H299-E304 IonicContact CG-OE2 3.8Å; E302-E304 PolarHBondContact O-N 3Å; E304-C306 VanDerWaalsContact C-N 3.31Å; E304-C306 PolarHBondContact O-N 3.35Å; E304-C306 VanDerWaalsContact O-N 3.15Å
305M75.6Confident74.4Confident145 Ų14575.6 Ų75.671%0.71441%0.412SS*.EExtended strand (participates in β ladder)trans46.349.2174.2-159.5175.5-68.700114.2V307M305-V307 PolarHBondContact O-N 2.98Å
306C81.7Confident73.6Confident50 Ų5077.6 Ų77.634%0.33844%0.439SS..EExtended strand (participates in β ladder)trans-72.6127.6-177.3-64.80000112.9L294 S295 C296 E304L294-C306 HydrophobicContact CD1-CB 3.89Å; L294-C306 HydrophobicContact CG-CB 4.36Å; S295-C306 CarbonylContact O-C 3.55Å; S295-C306 WeakPolarHBondContact O-CA 3.05Å; C296-C306 HydrophobicContact CB-CB 4.08Å; C296-C306 WeakPolarHBondContact CB-SG 2.99Å; C296-C306 WeakPolarHBondContact SG-CB 3.31Å; C296-C306 CovalentContact SG-SG 2.04Å; C296-C306 PolarHBondContact SG-SG 2.84Å; E304-C306 VanDerWaalsContact C-N 3.31Å; E304-C306 PolarHBondContact O-N 3.35Å; E304-C306 VanDerWaalsContact O-N 3.15Å
307V81Confident73.1Confident97 Ų9778.2 Ų78.259%0.58844%0.443SS*.EExtended strand (participates in β ladder)trans-119.6127.2174.4-1750000109.3S295 M305S295-V307 PolarHBondContact N-O 3.36Å; S295-V307 PolarHBondContact O-N 3.44Å; M305-V307 PolarHBondContact O-N 2.98Å
308A81.6Confident72.7Confident56 Ų5686.5 Ų86.546%0.46348%0.481SS..EExtended strand (participates in β ladder)trans-97.8127.2175.100000110.7C293 L294 L310C293-A308 WeakPolarHBondContact O-CA 3.34Å; L294-A308 HydrophobicContact CD1-CB 4.01Å; A308-L310 PolarHBondContact O-N 2.02Å
309A79.1Confident72.4Confident56 Ų5691.6 Ų91.646%0.46351%0.505SS..  trans-70.2122.2168.900000110C293 C311C293-A309 HydrophobicContact CB-CB 4.13Å; C293-A309 PolarHBondContact O-N 3.42Å; A309-C311 PolarHBondContact O-N 3.34Å
310L74.4Confident72.6Confident172 Ų17291.1 Ų91.190%0.90150%0.501SS*.  trans-81.4113.1174.2-70.1169.5000109.3A308A308-L310 PolarHBondContact O-N 2.02Å
311C77.7Confident73.2Confident41 Ų4196.8 Ų96.828%0.27751%0.509SS..PPolyproline II helixtrans-93.1132.7177.2-500000110.5C293 A309 C328 F330C293-C311 PolarHBondContact SG-SG 2.04Å; A309-C311 PolarHBondContact O-N 3.34Å; C311-C328 HydrophobicContact CB-CB 3.65Å; C311-C328 WeakPolarHBondContact CB-SG 3.49Å; C311-C328 WeakPolarHBondContact SG-CA 3.49Å; C311-C328 WeakPolarHBondContact SG-CB 3.37Å; C311-C328 PolarHBondContact SG-N 2.75Å; C311-C328 VanDerWaalsContact SG-N 3.42Å; C311-C328 CovalentContact SG-SG 2.02Å; C311-C328 PolarHBondContact SG-SG 3.03Å; C311-F330 HydrophobicContact CB-CE2 3.84Å; C311-F330 HydrophobicContact CB-CZ 3.64Å
312E76.8Confident73.7Confident179 Ų179101.5 Ų101.584%0.83653%0.528SS*.PPolyproline II helixtrans-68.3137.4170.7-68.2-178178.300110.5F330E312-F330 VanDerWaalsContact O-CE2 3.31Å; E312-F330 WeakPolarHBondContact O-CE2 3.46Å
313R73.2Confident74.3Confident143 Ų14397.6 Ų97.654%0.5451%0.511SS..PPolyproline II helixtrans-66.1137.9178.3179.4-176.3-70.6164.9-5.3110Q315 Y320R313-Q315 PolarHBondContact O-N 3.33Å; R313-Y320 HydrophobicContact CG-CD1 4.21Å; R313-Y320 HydrophobicContact CG-CE1 3.79Å; R313-Y320 PolarHBondContact NE-OH 2.93Å; R313-Y320 VanDerWaalsContact NE-OH 3.08Å; R313-Y320 PolarHBondContact NH2-OH 2.7Å; R313-Y320 VanDerWaalsContact NH2-OH 3.09Å
314P70.7Confident74.3Confident39 Ų39100.9 Ų100.925%0.25353%0.532SS..PPolyproline II helixtrans-58.4125.9173.223.4-33.7000110.6C317 F330P314-C317 HydrophobicContact CG-CB 4.35Å; P314-F330 HydrophobicContact CG-CB 3.74Å; P314-F330 HydrophobicContact CG-CD2 4.23Å; P314-F330 HydrophobicContact CG-CG 3.97Å
315Q68.3Low74Confident196 Ų196103.9 Ų103.992%0.91654%0.544SS*.THydrogen-bonded Turntrans-76.4128.5179.4-59.1-133.9-11.100110R313R313-Q315 PolarHBondContact O-N 3.33Å
316G67.6Low73.9Confident86 Ų86101.9 Ų101.989%0.88753%0.533SS*.THydrogen-bonded Turntrans98.912.9179.300000115.9
317C74.3Confident73.7Confident13 Ų13102.1 Ų102.19%0.08853%0.534CS..  trans-125114.2-178.7-164.80000110.3P314 Q319 C332 D334P314-C317 HydrophobicContact CG-CB 4.35Å; C317-Q319 PolarHBondContact SG-O 3.09Å; C317-Q319 VanDerWaalsContact SG-O 3.35Å; C317-C332 HydrophobicContact CB-CB 4.28Å; C317-C332 WeakPolarHBondContact CB-SG 2.91Å; C317-C332 WeakPolarHBondContact SG-CA 3.31Å; C317-C332 WeakPolarHBondContact SG-CB 3.42Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 2.98Å; C317-D334 WeakPolarHBondContact CA-OD2 3.35Å
318Q70.8Confident73.5Confident182 Ų182100.5 Ų100.585%0.8553%0.526SS*.SBendtrans-77.3-41.5-179.9-70-90.5-6.800110.1D334Q318-D334 PolarHBondContact N-OD2 3.37Å
319Q71.4Confident73.3Confident108 Ų108102.5 Ų102.551%0.50553%0.525SS..SBendtrans-120.3112.9177-162.81594.800111.5C317 L333 D334C317-Q319 PolarHBondContact SG-O 3.09Å; C317-Q319 VanDerWaalsContact SG-O 3.35Å; Q319-L333 HydrophobicContact CB-CB 4.5Å; Q319-L333 HydrophobicContact CG-CB 4.3Å; Q319-L333 PolarHBondContact O-N 3.48Å; Q319-D334 WeakPolarHBondContact CB-OD1 2.93Å; Q319-D334 PolarHBondContact N-OD1 2.78Å; Q319-D334 PolarHBondContact N-OD2 3.08Å
320Y73.2Confident73.2Confident63 Ų63102.1 Ų102.125%0.24751%0.513CS..EExtended strand (participates in β ladder)trans-123.3149.7178.764.4-86.7000111.6R313 F330 M331R313-Y320 HydrophobicContact CG-CD1 4.21Å; R313-Y320 HydrophobicContact CG-CE1 3.79Å; R313-Y320 PolarHBondContact NE-OH 2.93Å; R313-Y320 VanDerWaalsContact NE-OH 3.08Å; R313-Y320 PolarHBondContact NH2-OH 2.7Å; R313-Y320 VanDerWaalsContact NH2-OH 3.09Å; Y320-F330 AromaticContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CE1 4.02Å; Y320-F330 AromaticContact CE2-CD1 3.93Å; Y320-F330 HydrophobicContact CE2-CD1 3.93Å; Y320-F330 AromaticContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CG-CD1 4.47Å; Y320-M331 CarbonylContact C-O 3.48Å; Y320-M331 VanDerWaalsContact CA-O 3.25Å; Y320-M331 WeakPolarHBondContact CA-O 3.49Å
321R74.3Confident73.2Confident159 Ų15998.6 Ų98.660%0.649%0.493SS*.EExtended strand (participates in β ladder)trans-115.8132170.7179.2-179.3-75.1-173.1-2.8108.5F330 M331 L333R321-F330 WeakPolarHBondContact O-CA 3.25Å; R321-M331 PolarHBondContact N-O 3.14Å; R321-M331 PolarHBondContact O-N 3.26Å; R321-L333 HydrophobicContact CB-CD1 3.8Å; R321-L333 HydrophobicContact CB-CG 4.27Å
322K72.5Confident73.2Confident105 Ų105100.2 Ų100.246%0.45750%0.504SS..EExtended strand (participates in β ladder)trans-71.5138.9170.4-66.8179.3177.6178.80109.2D291 F330D291-K322 IonicContact OD1-NZ 3.35Å; D291-K322 PolarHBondContact OD1-NZ 2.79Å; K322-F330 HydrophobicContact CG-CD1 4.01Å; K322-F330 HydrophobicContact CG-CE1 3.85Å
323D72.6Confident73.1Confident31 Ų3195.5 Ų95.517%0.16648%0.484CS..  trans-67.1133170.3-92.3-58.6000110.2P292 K325 K329P292-D323 WeakPolarHBondContact CG-O 3.43Å; D323-K325 PolarHBondContact O-N 2.79Å; D323-K329 HydrophobicContact CB-CB 4.08Å; D323-K329 HydrophobicContact CB-CD 4.47Å; D323-K329 HydrophobicContact CB-CG 4.46Å; D323-K329 PolarHBondContact N-O 2.73Å; D323-K329 WeakPolarHBondContact OD2-CD 3.13Å; D323-K329 WeakPolarHBondContact OD2-CE 3.08Å; D323-K329 WeakPolarHBondContact OD2-CG 3.42Å
324P69.8Low73Confident91 Ų9191 Ų9159%0.59147%0.471SS*.SBendtrans-75.7-5.4-177.529-34.4000113.9I274I274-P324 WeakPolarHBondContact CD1-O 3.28Å
325K67.7Low72.5Confident170 Ų17095 Ų9574%0.73950%0.497SS*.SBendtrans-122.2-16.3-173.4-66.3-174.6179.2-1760114.6D323D323-K325 PolarHBondContact O-N 2.79Å
326E73.6Confident71.9Confident103 Ų10392.7 Ų92.748%0.48149%0.491SS..SBendtrans-129.4127.2-174.5-74.7178.4-16500109.8K329E326-K329 HydrophobicContact CB-CB 4.06Å; E326-K329 HydrophobicContact CB-CD 4.15Å; E326-K329 IonicContact OE1-NZ 3.51Å; E326-K329 WeakPolarHBondContact OE2-CD 3.43Å; E326-K329 WeakPolarHBondContact OE2-CE 2.9Å; E326-K329 IonicContact OE2-NZ 2.69Å; E326-K329 PolarHBondContact OE2-NZ 3.38Å
327C76.6Confident71.3Confident54 Ų5491.6 Ų91.637%0.36548%0.479SS..THydrogen-bonded Turntrans-67.4140.4176.61790000111.3P292 C293 K329P292-C327 WeakPolarHBondContact O-CB 3.46Å; C293-C327 WeakPolarHBondContact CA-SG 3.32Å; C293-C327 HydrophobicContact CB-CB 4.05Å; C293-C327 WeakPolarHBondContact CB-SG 3.21Å; C293-C327 WeakPolarHBondContact SG-CA 3.3Å; C293-C327 WeakPolarHBondContact SG-CB 3.42Å; C293-C327 CovalentContact SG-SG 2.04Å; C293-C327 PolarHBondContact SG-SG 3.48Å; C327-K329 PolarHBondContact O-N 3.25Å; C327-K329 VanDerWaalsContact O-N 3.14Å
328C76.3Confident70.5Confident64 Ų6498.1 Ų98.143%0.43251%0.513SS..THydrogen-bonded Turntrans59.218.3178.8-57.10000116.2C293 C311 F330C293-C328 PolarHBondContact SG-N 2.89Å; C311-C328 HydrophobicContact CB-CB 3.65Å; C311-C328 WeakPolarHBondContact CB-SG 3.49Å; C311-C328 WeakPolarHBondContact SG-CA 3.49Å; C311-C328 WeakPolarHBondContact SG-CB 3.37Å; C311-C328 PolarHBondContact SG-N 2.75Å; C311-C328 VanDerWaalsContact SG-N 3.42Å; C311-C328 CovalentContact SG-SG 2.02Å; C311-C328 PolarHBondContact SG-SG 3.03Å; C328-F330 WeakPolarHBondContact O-CD2 3.35Å
329K78.6Confident69.6Low97 Ų9794 Ų9442%0.42250%0.504SS..  trans-100.2126.6172.2-165.6177.6172-1790110.6D323 E326 C327D323-K329 HydrophobicContact CB-CB 4.08Å; D323-K329 HydrophobicContact CB-CD 4.47Å; D323-K329 HydrophobicContact CB-CG 4.46Å; D323-K329 PolarHBondContact N-O 2.73Å; D323-K329 WeakPolarHBondContact OD2-CD 3.13Å; D323-K329 WeakPolarHBondContact OD2-CE 3.08Å; D323-K329 WeakPolarHBondContact OD2-CG 3.42Å; E326-K329 HydrophobicContact CB-CB 4.06Å; E326-K329 HydrophobicContact CB-CD 4.15Å; E326-K329 IonicContact OE1-NZ 3.51Å; E326-K329 WeakPolarHBondContact OE2-CD 3.43Å; E326-K329 WeakPolarHBondContact OE2-CE 2.9Å; E326-K329 IonicContact OE2-NZ 2.69Å; E326-K329 PolarHBondContact OE2-NZ 3.38Å; C327-K329 PolarHBondContact O-N 3.25Å; C327-K329 VanDerWaalsContact O-N 3.14Å
330F76.9Confident68.8Low48 Ų4893.9 Ų93.921%0.21151%0.506CS..EExtended strand (participates in β ladder)trans-121.4134.8-175.6-58.5-84.9000109.6C311 E312 P314 Y320 R321 K322 C328C311-F330 HydrophobicContact CB-CE2 3.84Å; C311-F330 HydrophobicContact CB-CZ 3.64Å; E312-F330 VanDerWaalsContact O-CE2 3.31Å; E312-F330 WeakPolarHBondContact O-CE2 3.46Å; P314-F330 HydrophobicContact CG-CB 3.74Å; P314-F330 HydrophobicContact CG-CD2 4.23Å; P314-F330 HydrophobicContact CG-CG 3.97Å; Y320-F330 AromaticContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CD1 3.56Å; Y320-F330 HydrophobicContact CD2-CE1 4.02Å; Y320-F330 AromaticContact CE2-CD1 3.93Å; Y320-F330 HydrophobicContact CE2-CD1 3.93Å; Y320-F330 AromaticContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CE2-CE1 3.88Å; Y320-F330 HydrophobicContact CG-CD1 4.47Å; R321-F330 WeakPolarHBondContact O-CA 3.25Å; K322-F330 HydrophobicContact CG-CD1 4.01Å; K322-F330 HydrophobicContact CG-CE1 3.85Å; C328-F330 WeakPolarHBondContact O-CD2 3.35Å
331M73.7Confident67.6Low98 Ų9899.1 Ų99.148%0.48353%0.531SS..EExtended strand (participates in β ladder)trans-102.7127.5170.1-63.6-173.469.800109.3Y320 R321Y320-M331 CarbonylContact C-O 3.48Å; Y320-M331 VanDerWaalsContact CA-O 3.25Å; Y320-M331 WeakPolarHBondContact CA-O 3.49Å; R321-M331 PolarHBondContact N-O 3.14Å; R321-M331 PolarHBondContact O-N 3.26Å
332C78.9Confident66.6Low76 Ų7698 Ų9851%0.51454%0.537SS..EExtended strand (participates in β ladder)trans-81.2131.4171.5-75.20000111C317C317-C332 HydrophobicContact CB-CB 4.28Å; C317-C332 WeakPolarHBondContact CB-SG 2.91Å; C317-C332 WeakPolarHBondContact SG-CA 3.31Å; C317-C332 WeakPolarHBondContact SG-CB 3.42Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 2.98Å
333L74.4Confident65.7Low80 Ų8097 Ų9742%0.41954%0.543SS..  trans-106.53.2-179.5-67.1173.5000112.5Q319 R321Q319-L333 HydrophobicContact CB-CB 4.5Å; Q319-L333 HydrophobicContact CG-CB 4.3Å; Q319-L333 PolarHBondContact O-N 3.48Å; R321-L333 HydrophobicContact CB-CD1 3.8Å; R321-L333 HydrophobicContact CB-CG 4.27Å
334D69.9Low64.7Low48 Ų48100.6 Ų100.626%0.25756%0.56SS.*  trans-63.9127.8179.9-67.4-32.5000110.4C317 Q318 Q319 D336C317-D334 WeakPolarHBondContact CA-OD2 3.35Å; Q318-D334 PolarHBondContact N-OD2 3.37Å; Q319-D334 WeakPolarHBondContact CB-OD1 2.93Å; Q319-D334 PolarHBondContact N-OD1 2.78Å; Q319-D334 PolarHBondContact N-OD2 3.08Å; D334-D336 PolarHBondContact O-N 2.03Å
335P61.7Low64.1Low124 Ų12497.7 Ų97.781%0.80554%0.544SS*.SBendtrans-71.8-15.5-179.328.3-33.5000113G337P335-G337 PolarHBondContact O-N 2.84Å; P335-G337 VanDerWaalsContact O-N 3.11Å
336D54.3Low63.7Low147 Ų14792.9 Ų92.979%0.78653%0.531SS*.  trans-89.361.8173.6-65.7-33.5000110.2D334 N338D334-D336 PolarHBondContact O-N 2.03Å; D336-N338 PolarHBondContact O-N 3.35Å
337G56.5Low63.3Low62 Ų6289.5 Ų89.564%0.63953%0.525SS*.  trans-59.3119.6161.200000109.4P335P335-G337 PolarHBondContact O-N 2.84Å; P335-G337 VanDerWaalsContact O-N 3.11Å
338N57.4Low63Low151 Ų15193.1 Ų93.181%0.80754%0.538SS*.  trans76.5109.1-179.5-61.4-0.4000115.4D336D336-N338 PolarHBondContact O-N 3.35Å
339S51.9Low62.7Low94 Ų9498.3 Ų98.366%0.65755%0.548SS*.  158.996.9110.451.80000111
340L53Low62.6Low106 Ų10699.2 Ų99.256%0.55556%0.557SS**SBendtrans-164.4-50.3135.7-131.3101.6000111M344L340-M344 HydrophobicContact CD2-CE 3.41Å; L340-M344 VanDerWaalsContact CD2-CE 3.41Å; L340-M344 HydrophobicContact CD2-SD 4.08Å; L340-M344 HydrophobicContact CG-CE 3.76Å; L340-M344 WeakPolarHBondContact O-CB 3.49Å; L340-M344 WeakPolarHBondContact O-CG 2.96Å; L340-M344 PolarHBondContact O-N 3.17Å; L340-M344 VanDerWaalsContact O-N 3.12Å
341F49.7Very low62.7Low173 Ų173100.9 Ų100.976%0.75957%0.571SS**Hα-helixtrans-77.9-37.4-169.9-88.2-86.2000114.3M344 A345F341-M344 PolarHBondContact O-N 2.94Å; F341-A345 WeakPolarHBondContact O-CB 3.09Å; F341-A345 PolarHBondContact O-N 3.4Å
342D52.8Low63.1Low136 Ų136100.6 Ų100.673%0.72758%0.575SS**Hα-helixtrans-76.1-31.1178.5-108.1-20000113.5A345 S346D342-A345 PolarHBondContact O-N 3.12Å; D342-S346 WeakPolarHBondContact O-CB 3.34Å; D342-S346 PolarHBondContact O-N 3.34Å
343S52.5Low63.4Low84 Ų84100.4 Ų100.459%0.58757%0.574SS**Hα-helixtrans-70.9-33.5170.7-68.10000112G347S343-G347 WeakPolarHBondContact O-CA 3.15Å; S343-G347 PolarHBondContact O-N 3.11Å
344M52.3Low64.1Low106 Ų10699.6 Ų99.652%0.52257%0.574SS.*Hα-helixtrans-70.2-38.3172.7-72.6179.5-176.600111.6L340 F341 M348L340-M344 HydrophobicContact CD2-CE 3.41Å; L340-M344 VanDerWaalsContact CD2-CE 3.41Å; L340-M344 HydrophobicContact CD2-SD 4.08Å; L340-M344 HydrophobicContact CG-CE 3.76Å; L340-M344 WeakPolarHBondContact O-CB 3.49Å; L340-M344 WeakPolarHBondContact O-CG 2.96Å; L340-M344 PolarHBondContact O-N 3.17Å; L340-M344 VanDerWaalsContact O-N 3.12Å; F341-M344 PolarHBondContact O-N 2.94Å; M344-M348 WeakPolarHBondContact O-CB 3.38Å; M344-M348 WeakPolarHBondContact O-CG 3.12Å; M344-M348 PolarHBondContact O-N 3.26Å
345A56.7Low65.1Low31 Ų31101.7 Ų101.726%0.25658%0.584SS.*Hα-helixtrans-69-42.2175.900000112.7F341 D342 R349F341-A345 WeakPolarHBondContact O-CB 3.09Å; F341-A345 PolarHBondContact O-N 3.4Å; D342-A345 PolarHBondContact O-N 3.12Å; A345-R349 WeakPolarHBondContact O-CB 3.43Å; A345-R349 WeakPolarHBondContact O-CD 3.31Å; A345-R349 WeakPolarHBondContact O-CG 3.32Å; A345-R349 PolarHBondContact O-N 3.35Å; A345-R349 VanDerWaalsContact O-N 3.16Å
346S59.9Low66.5Low68 Ų6898.2 Ų98.248%0.47656%0.563SS.*Hα-helixtrans-76.6-39.8-180-160.10000112.5D342 R349 L350D342-S346 WeakPolarHBondContact O-CB 3.34Å; D342-S346 PolarHBondContact O-N 3.34Å; S346-R349 PolarHBondContact O-N 2.85Å; S346-L350 PolarHBondContact O-N 3.47Å
347G65Low68.3Low33 Ų3394 Ų9434%0.3455%0.545SS..Hα-helixtrans-65.4-43.117500000112.8S343 R349 L350 V351S343-G347 WeakPolarHBondContact O-CA 3.15Å; S343-G347 PolarHBondContact O-N 3.11Å; G347-R349 PolarHBondContact O-N 3.36Å; G347-L350 PolarHBondContact O-N 3Å; G347-V351 VanDerWaalsContact O-CG2 3.31Å; G347-V351 WeakPolarHBondContact O-CG2 3.23Å; G347-V351 PolarHBondContact O-N 3.16Å
348M70.2Confident70.1Confident130 Ų13098 Ų9864%0.6455%0.546SS*.Hα-helixtrans-65.5-37.1175.1-70.3-90.5-77.900111.7M344 V351 V352M344-M348 WeakPolarHBondContact O-CB 3.38Å; M344-M348 WeakPolarHBondContact O-CG 3.12Å; M344-M348 PolarHBondContact O-N 3.26Å; M348-V351 PolarHBondContact O-N 2.86Å; M348-V352 WeakPolarHBondContact O-CB 3.2Å; M348-V352 WeakPolarHBondContact O-CG2 3.35Å; M348-V352 PolarHBondContact O-N 2.93Å
349R71.3Confident71.8Confident173 Ų17395.7 Ų95.765%0.65353%0.533SS*.Hα-helixtrans-64.4-39.6175.4-76.2170-171.8142.81.1112.4A345 S346 G347 S353A345-R349 WeakPolarHBondContact O-CB 3.43Å; A345-R349 WeakPolarHBondContact O-CD 3.31Å; A345-R349 WeakPolarHBondContact O-CG 3.32Å; A345-R349 PolarHBondContact O-N 3.35Å; A345-R349 VanDerWaalsContact O-N 3.16Å; S346-R349 PolarHBondContact O-N 2.85Å; G347-R349 PolarHBondContact O-N 3.36Å; R349-S353 VanDerWaalsContact O-CB 3.23Å; R349-S353 WeakPolarHBondContact O-CB 3.4Å; R349-S353 PolarHBondContact O-N 2.88Å
350L75.9Confident73.8Confident115 Ų11596 Ų9660%0.60253%0.525SS*.Hα-helixtrans-65.7-43.9173.6-74.4174.9000111.9S346 G347 S353 C354S346-L350 PolarHBondContact O-N 3.47Å; G347-L350 PolarHBondContact O-N 3Å; L350-S353 PolarHBondContact O-N 3.44Å; L350-C354 WeakPolarHBondContact O-CB 3.25Å; L350-C354 PolarHBondContact O-N 3.33Å; L350-C354 PolarHBondContact O-SG 2.78Å
351V79.2Confident75.7Confident83 Ų8395.9 Ų95.950%0.50353%0.525SS..Hα-helixtrans-63.5-45177.6173.30000111.1G347 M348 C354 I355G347-V351 VanDerWaalsContact O-CG2 3.31Å; G347-V351 WeakPolarHBondContact O-CG2 3.23Å; G347-V351 PolarHBondContact O-N 3.16Å; M348-V351 PolarHBondContact O-N 2.86Å; V351-C354 PolarHBondContact O-N 2.87Å; V351-I355 HydrophobicContact CG1-CD1 3.67Å; V351-I355 HydrophobicContact CG1-CG1 4.41Å; V351-I355 WeakPolarHBondContact O-CB 3.38Å; V351-I355 VanDerWaalsContact O-CG1 3.25Å; V351-I355 WeakPolarHBondContact O-CG1 3.28Å; V351-I355 PolarHBondContact O-N 3.29Å
352V82.6Confident77.8Confident93 Ų9390.4 Ų90.456%0.56451%0.508SS*.Hα-helixtrans-65-40.6176.9172.50000111.2M348 I355 S356M348-V352 WeakPolarHBondContact O-CB 3.2Å; M348-V352 WeakPolarHBondContact O-CG2 3.35Å; M348-V352 PolarHBondContact O-N 2.93Å; V352-I355 PolarHBondContact O-N 3.49Å; V352-S356 VanDerWaalsContact O-CB 3.31Å; V352-S356 WeakPolarHBondContact O-CB 3.31Å; V352-S356 PolarHBondContact O-N 3.07Å; V352-S356 PolarHBondContact O-OG 3.36Å
353S84.3Confident79.7Confident71 Ų7189.1 Ų89.150%0.49750%0.501SS..Hα-helixtrans-62.8-44.6175-172.30000111.7R349 L350 S356 S357R349-S353 VanDerWaalsContact O-CB 3.23Å; R349-S353 WeakPolarHBondContact O-CB 3.4Å; R349-S353 PolarHBondContact O-N 2.88Å; L350-S353 PolarHBondContact O-N 3.44Å; S353-S356 PolarHBondContact O-N 3.35Å; S353-S356 PolarHBondContact O-OG 3.35Å; S353-S357 PolarHBondContact O-N 2.88Å
354C89.2Confident81.6Confident63 Ų6390.1 Ų90.143%0.42650%0.499SS..Hα-helixtrans-63.9-45.6176.6-72.40000111.8L350 V351 S356 S357 F358L350-C354 WeakPolarHBondContact O-CB 3.25Å; L350-C354 PolarHBondContact O-N 3.33Å; L350-C354 PolarHBondContact O-SG 2.78Å; V351-C354 PolarHBondContact O-N 2.87Å; C354-S356 VanDerWaalsContact C-N 3.32Å; C354-S356 PolarHBondContact O-N 2.89Å; C354-S357 PolarHBondContact O-N 3.4Å; C354-S357 PolarHBondContact O-OG 2.95Å; C354-F358 WeakPolarHBondContact O-CD2 3.48Å; C354-F358 PolarHBondContact O-N 3.38Å
355I91.4Very high83.5Confident92 Ų9290.4 Ų90.447%0.47250%0.502SS..Hα-helixtrans-63.2-42.1177.8-67.1167.1000110.3V351 V352 S357 F358 L359V351-I355 HydrophobicContact CG1-CD1 3.67Å; V351-I355 HydrophobicContact CG1-CG1 4.41Å; V351-I355 WeakPolarHBondContact O-CB 3.38Å; V351-I355 VanDerWaalsContact O-CG1 3.25Å; V351-I355 WeakPolarHBondContact O-CG1 3.28Å; V351-I355 PolarHBondContact O-N 3.29Å; V352-I355 PolarHBondContact O-N 3.49Å; I355-S357 VanDerWaalsContact C-N 3.35Å; I355-S357 PolarHBondContact O-N 3Å; I355-F358 PolarHBondContact O-N 3.03Å; I355-L359 HydrophobicContact CG2-CD1 3.91Å; I355-L359 HydrophobicContact CG2-CG 4.28Å; I355-L359 WeakPolarHBondContact O-CB 3.01Å; I355-L359 VanDerWaalsContact O-CG 3.28Å; I355-L359 WeakPolarHBondContact O-CG 3.37Å; I355-L359 PolarHBondContact O-N 2.91Å
356S90.9Very high85.2Confident51 Ų5194.2 Ų94.236%0.35751%0.513SS..Hα-helixtrans-62.6-40.6177.3750000112.2V352 S353 C354 L359 I360V352-S356 VanDerWaalsContact O-CB 3.31Å; V352-S356 WeakPolarHBondContact O-CB 3.31Å; V352-S356 PolarHBondContact O-N 3.07Å; V352-S356 PolarHBondContact O-OG 3.36Å; S353-S356 PolarHBondContact O-N 3.35Å; S353-S356 PolarHBondContact O-OG 3.35Å; C354-S356 VanDerWaalsContact C-N 3.32Å; C354-S356 PolarHBondContact O-N 2.89Å; S356-L359 PolarHBondContact O-N 3.44Å; S356-I360 WeakPolarHBondContact O-CB 3.46Å; S356-I360 WeakPolarHBondContact O-CD1 3.14Å; S356-I360 WeakPolarHBondContact O-CG1 3.38Å; S356-I360 PolarHBondContact O-N 3.25Å
357S92.5Very high86.5Confident59 Ų5995 Ų9541%0.41351%0.51SS..Hα-helixtrans-68.1-40.3178.8720000111.9S353 C354 I355 I360 L361S353-S357 PolarHBondContact O-N 2.88Å; C354-S357 PolarHBondContact O-N 3.4Å; C354-S357 PolarHBondContact O-OG 2.95Å; I355-S357 VanDerWaalsContact C-N 3.35Å; I355-S357 PolarHBondContact O-N 3Å; S357-I360 PolarHBondContact O-N 3.45Å; S357-L361 WeakPolarHBondContact O-CB 3.33Å; S357-L361 PolarHBondContact O-N 2.9Å
358F94.1Very high87.7Confident147 Ų14796.6 Ų96.665%0.64551%0.513SS*.Hα-helixtrans-64.9-42.5174.6-76.2-62.7000112.5C354 I355 L361 S362C354-F358 WeakPolarHBondContact O-CD2 3.48Å; C354-F358 PolarHBondContact O-N 3.38Å; I355-F358 PolarHBondContact O-N 3.03Å; F358-L361 PolarHBondContact O-N 3.29Å; F358-S362 WeakPolarHBondContact O-CB 3.35Å; F358-S362 PolarHBondContact O-N 3.49Å; F358-S362 PolarHBondContact O-OG 2.99Å
359L91.8Very high88.4Confident102 Ų10295.7 Ų95.753%0.53451%0.507SS..Hα-helixtrans-64.7-44.4176.9-70.2177.5000111.3I355 S356 L361 S362 L363I355-L359 HydrophobicContact CG2-CD1 3.91Å; I355-L359 HydrophobicContact CG2-CG 4.28Å; I355-L359 WeakPolarHBondContact O-CB 3.01Å; I355-L359 VanDerWaalsContact O-CG 3.28Å; I355-L359 WeakPolarHBondContact O-CG 3.37Å; I355-L359 PolarHBondContact O-N 2.91Å; S356-L359 PolarHBondContact O-N 3.44Å; L359-L361 PolarHBondContact O-N 2.97Å; L359-S362 PolarHBondContact O-N 3.4Å; L359-S362 PolarHBondContact O-OG 3.48Å; L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 2.69Å
360I94.2Very high88.9Confident99 Ų9993.2 Ų93.251%0.50850%0.498SS..Hα-helixtrans-61.4-45.8176.4-68.5163.2000110.7S356 S357 S362 L363 L364S356-I360 WeakPolarHBondContact O-CB 3.46Å; S356-I360 WeakPolarHBondContact O-CD1 3.14Å; S356-I360 WeakPolarHBondContact O-CG1 3.38Å; S356-I360 PolarHBondContact O-N 3.25Å; S357-I360 PolarHBondContact O-N 3.45Å; I360-S362 VanDerWaalsContact C-N 3.31Å; I360-S362 PolarHBondContact O-N 3.25Å; I360-L363 PolarHBondContact O-N 3.48Å; I360-L364 HydrophobicContact CG2-CD1 4.09Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.27Å
361L93.6Very high89.1Confident104 Ų10492.9 Ų92.955%0.54550%0.496SS..Hα-helixtrans-61.4-41.6178-154.191.6000111.4S357 F358 L359 L363 L364 L365S357-L361 WeakPolarHBondContact O-CB 3.33Å; S357-L361 PolarHBondContact O-N 2.9Å; F358-L361 PolarHBondContact O-N 3.29Å; L359-L361 PolarHBondContact O-N 2.97Å; L361-L363 PolarHBondContact O-N 2.91Å; L361-L364 PolarHBondContact O-N 3.35Å; L361-L365 HydrophobicContact CD2-CD1 4.47Å; L361-L365 WeakPolarHBondContact O-CB 3.41Å; L361-L365 WeakPolarHBondContact O-CG 3.23Å; L361-L365 PolarHBondContact O-N 2.83Å
362S94Very high89Confident58 Ų5897.7 Ų97.741%0.40651%0.505SS..Hα-helixtrans-63.6-40.1177.676.70000112.5F358 L359 I360 F366F358-S362 WeakPolarHBondContact O-CB 3.35Å; F358-S362 PolarHBondContact O-N 3.49Å; F358-S362 PolarHBondContact O-OG 2.99Å; L359-S362 PolarHBondContact O-N 3.4Å; L359-S362 PolarHBondContact O-OG 3.48Å; I360-S362 VanDerWaalsContact C-N 3.31Å; I360-S362 PolarHBondContact O-N 3.25Å; S362-F366 WeakPolarHBondContact O-CB 3.44Å; S362-F366 PolarHBondContact O-N 3.48Å
363L92.9Very high88.5Confident109 Ų10997.9 Ų97.957%0.57150%0.5SS*.Hα-helixtrans-68.8-40176.6-70.6176000111.9L359 I360 L361 F366 M367L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 2.69Å; I360-L363 PolarHBondContact O-N 3.48Å; L361-L363 PolarHBondContact O-N 2.91Å; L363-F366 PolarHBondContact O-N 3.43Å; L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 WeakPolarHBondContact O-CG 3.4Å; L363-M367 PolarHBondContact O-N 3.46Å
364L92.7Very high88Confident105 Ų105101.5 Ų101.555%0.5550%0.503SS..Hα-helixtrans-64.4-44.5175.4-71.7177.3000111.5I360 L361 F366 M367 V368I360-L364 HydrophobicContact CG2-CD1 4.09Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.27Å; L361-L364 PolarHBondContact O-N 3.35Å; L364-F366 VanDerWaalsContact C-N 3.32Å; L364-F366 PolarHBondContact O-N 3.3Å; L364-M367 PolarHBondContact O-N 3.24Å; L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 3.47Å
365L91.5Very high86.9Confident112 Ų112107.6 Ų107.659%0.58652%0.517SS*.Hα-helixtrans-63.2-39.8175.1-71.4176.1000111.7L361 V368 H369L361-L365 HydrophobicContact CD2-CD1 4.47Å; L361-L365 WeakPolarHBondContact O-CB 3.41Å; L361-L365 WeakPolarHBondContact O-CG 3.23Å; L361-L365 PolarHBondContact O-N 2.83Å; L365-V368 PolarHBondContact O-N 2.93Å; L365-H369 VanDerWaalsContact O-CB 3.26Å; L365-H369 WeakPolarHBondContact O-CB 3.35Å; L365-H369 PolarHBondContact O-N 3.37Å
366F92.7Very high85.7Confident111 Ų111111.8 Ų111.849%0.48753%0.526SS..Hα-helixtrans-64.5-40.5174.1-176.5-108.8000112.2S362 L363 L364 H369 R370S362-F366 WeakPolarHBondContact O-CB 3.44Å; S362-F366 PolarHBondContact O-N 3.48Å; L363-F366 PolarHBondContact O-N 3.43Å; L364-F366 VanDerWaalsContact C-N 3.32Å; L364-F366 PolarHBondContact O-N 3.3Å; F366-H369 PolarHBondContact O-N 2.81Å; F366-R370 HydrophobicContact CD1-CG 4.48Å; F366-R370 VanDerWaalsContact CE1-CD 3.49Å; F366-R370 HydrophobicContact CE1-CG 4.2Å; F366-R370 HydrophobicContact CE2-CG 4.43Å; F366-R370 HydrophobicContact CZ-CG 4.15Å; F366-R370 WeakPolarHBondContact O-CB 3.3Å; F366-R370 WeakPolarHBondContact O-CG 3.31Å; F366-R370 PolarHBondContact O-N 2.85Å
367M86.9Confident84.2Confident85 Ų85114.5 Ų114.542%0.41953%0.534SS..Hα-helixtrans-64.1-45.5173.5-78.8-64.998.700112.2L363 L364 H369 R370 L371L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 WeakPolarHBondContact O-CG 3.4Å; L363-M367 PolarHBondContact O-N 3.46Å; L364-M367 PolarHBondContact O-N 3.24Å; M367-H369 VanDerWaalsContact C-N 3.34Å; M367-H369 PolarHBondContact O-N 2.93Å; M367-R370 HydrophobicContact CE-CG 4.47Å; M367-R370 PolarHBondContact O-N 3.4Å; M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 VanDerWaalsContact O-CG 3.23Å; M367-L371 WeakPolarHBondContact O-CG 3.26Å; M367-L371 PolarHBondContact O-N 2.92Å
368V89.6Confident82.6Confident66 Ų66120 Ų12040%0.455%0.546SS..Hα-helixtrans-63.3-41.5175.3172.10000110.8L364 L365 L371 R372L364-V368 WeakPolarHBondContact O-CG2 3.36Å; L364-V368 PolarHBondContact O-N 3.47Å; L365-V368 PolarHBondContact O-N 2.93Å; V368-L371 PolarHBondContact O-N 2.79Å; V368-R372 HydrophobicContact CG1-CG 4.31Å; V368-R372 VanDerWaalsContact O-CB 3.31Å; V368-R372 WeakPolarHBondContact O-CB 3.47Å; V368-R372 VanDerWaalsContact O-CG 3.3Å; V368-R372 WeakPolarHBondContact O-CG 3.33Å; V368-R372 PolarHBondContact O-N 3.41Å
369H84.8Confident80.9Confident111 Ų111117.6 Ų117.651%0.51454%0.538SS..Hα-helixtrans-60.9-48.1174.9-175.6-85.2000110.8L365 F366 M367 L371 R372 Q373L365-H369 VanDerWaalsContact O-CB 3.26Å; L365-H369 WeakPolarHBondContact O-CB 3.35Å; L365-H369 PolarHBondContact O-N 3.37Å; F366-H369 PolarHBondContact O-N 2.81Å; M367-H369 VanDerWaalsContact C-N 3.34Å; M367-H369 PolarHBondContact O-N 2.93Å; H369-L371 VanDerWaalsContact C-N 3.34Å; H369-L371 PolarHBondContact O-N 2.93Å; H369-R372 PolarHBondContact O-N 3.18Å; H369-Q373 PolarHBondContact CE1-OE1 3.19Å; H369-Q373 PolarHBondContact ND1-OE1 2.89Å; H369-Q373 VanDerWaalsContact O-CB 3.27Å; H369-Q373 WeakPolarHBondContact O-CB 3.27Å; H369-Q373 PolarHBondContact O-N 3.39Å
370R82.8Confident79.1Confident122 Ų122118.8 Ų118.846%0.4654%0.541SS..Hα-helixtrans-62.6-38176-77-171.6117.8-172.5-0.3113F366 M367 Q373 R374F366-R370 HydrophobicContact CD1-CG 4.48Å; F366-R370 VanDerWaalsContact CE1-CD 3.49Å; F366-R370 HydrophobicContact CE1-CG 4.2Å; F366-R370 HydrophobicContact CE2-CG 4.43Å; F366-R370 HydrophobicContact CZ-CG 4.15Å; F366-R370 WeakPolarHBondContact O-CB 3.3Å; F366-R370 WeakPolarHBondContact O-CG 3.31Å; F366-R370 PolarHBondContact O-N 2.85Å; M367-R370 HydrophobicContact CE-CG 4.47Å; M367-R370 PolarHBondContact O-N 3.4Å; R370-Q373 PolarHBondContact O-N 3.42Å; R370-R374 WeakPolarHBondContact O-CG 3.49Å; R370-R374 PolarHBondContact O-N 3.37Å
371L79.3Confident77.3Confident108 Ų108117.3 Ų117.357%0.56554%0.539SS*.Hα-helixtrans-70.1-38.6176.6-73.7170.6000111.6M367 V368 H369 R375M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 VanDerWaalsContact O-CG 3.23Å; M367-L371 WeakPolarHBondContact O-CG 3.26Å; M367-L371 PolarHBondContact O-N 2.92Å; V368-L371 PolarHBondContact O-N 2.79Å; H369-L371 VanDerWaalsContact C-N 3.34Å; H369-L371 PolarHBondContact O-N 2.93Å; L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 2.77Å
372R77.8Confident75.4Confident184 Ų184118.3 Ų118.369%0.69455%0.545SS*.Hα-helixtrans-66.8-37.3172.1-76.2-177.1-179.4-157.51.8111.5V368 H369 R375 R376V368-R372 HydrophobicContact CG1-CG 4.31Å; V368-R372 VanDerWaalsContact O-CB 3.31Å; V368-R372 WeakPolarHBondContact O-CB 3.47Å; V368-R372 VanDerWaalsContact O-CG 3.3Å; V368-R372 WeakPolarHBondContact O-CG 3.33Å; V368-R372 PolarHBondContact O-N 3.41Å; H369-R372 PolarHBondContact O-N 3.18Å; R372-R375 PolarHBondContact O-N 3.42Å; R372-R376 VanDerWaalsContact O-CB 3.29Å; R372-R376 WeakPolarHBondContact O-CB 3.42Å; R372-R376 PolarHBondContact O-N 3.27Å
373Q71.3Confident73.4Confident96 Ų96121.6 Ų121.645%0.44956%0.556SS.*Hα-helixtrans-66.6-47.5175.7-165.9163.2-4.700110.9H369 R370 R375 R376 E377H369-Q373 PolarHBondContact CE1-OE1 3.19Å; H369-Q373 PolarHBondContact ND1-OE1 2.89Å; H369-Q373 VanDerWaalsContact O-CB 3.27Å; H369-Q373 WeakPolarHBondContact O-CB 3.27Å; H369-Q373 PolarHBondContact O-N 3.39Å; R370-Q373 PolarHBondContact O-N 3.42Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 2.79Å; Q373-R376 PolarHBondContact O-N 3.33Å; Q373-E377 WeakPolarHBondContact O-CB 3.36Å; Q373-E377 WeakPolarHBondContact O-CG 3.29Å; Q373-E377 PolarHBondContact O-N 2.83Å
374R73.6Confident71.5Confident147 Ų147118.4 Ų118.456%0.55555%0.55SS**Hα-helixtrans-61.4-35.8170.9-73.2-173.4-170.6-170.83.2113R370 R378R370-R374 WeakPolarHBondContact O-CG 3.49Å; R370-R374 PolarHBondContact O-N 3.37Å; R374-R378 WeakPolarHBondContact O-CG 3.29Å; R374-R378 PolarHBondContact O-N 3.36Å; R374-R378 VanDerWaalsContact O-N 3.09Å
375R67.3Low69.4Low191 Ų191116.7 Ų116.772%0.72155%0.551SS**Hα-helixtrans-69.5-39.1174.6-95.5-171.3175.9-132.22.7111.8L371 R372 Q373 R378 I379L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 2.77Å; R372-R375 PolarHBondContact O-N 3.42Å; Q373-R375 VanDerWaalsContact C-N 3.32Å; Q373-R375 PolarHBondContact O-N 2.79Å; R375-R378 PolarHBondContact O-N 3.09Å; R375-I379 WeakPolarHBondContact O-CD1 3.23Å; R375-I379 VanDerWaalsContact O-CG1 3.23Å; R375-I379 WeakPolarHBondContact O-CG1 3.34Å; R375-I379 PolarHBondContact O-N 2.88Å
376R64.8Low67.2Low180 Ų180118.7 Ų118.768%0.67956%0.562SS**Hα-helixtrans-69.9-39.9178.7-164.1177.5-91.2-134.8-0.1111R372 Q373 R378 I379 E380R372-R376 VanDerWaalsContact O-CB 3.29Å; R372-R376 WeakPolarHBondContact O-CB 3.42Å; R372-R376 PolarHBondContact O-N 3.27Å; Q373-R376 PolarHBondContact O-N 3.33Å; R376-R378 PolarHBondContact O-N 2.99Å; R376-I379 PolarHBondContact O-N 3.42Å; R376-I379 VanDerWaalsContact O-N 3.17Å; R376-E380 PolarHBondContact O-N 2.85Å
377E59.8Low65.1Low109 Ų109120.3 Ų120.351%0.50958%0.575SS.*Hα-helixtrans-61.6-39.2170.6-72.4167.1-172.500112.3Q373 S381Q373-E377 WeakPolarHBondContact O-CB 3.36Å; Q373-E377 WeakPolarHBondContact O-CG 3.29Å; Q373-E377 PolarHBondContact O-N 2.83Å; E377-S381 PolarHBondContact O-N 3.46Å
378R59.7Low63.1Low175 Ų175123.8 Ų123.866%0.6659%0.59SS**Hα-helixtrans-67.3-36.8172.4-75.2-167.9-146.1-167.45.3112.9R374 R375 R376 S381 L382R374-R378 WeakPolarHBondContact O-CG 3.29Å; R374-R378 PolarHBondContact O-N 3.36Å; R374-R378 VanDerWaalsContact O-N 3.09Å; R375-R378 PolarHBondContact O-N 3.09Å; R376-R378 PolarHBondContact O-N 2.99Å; R378-S381 PolarHBondContact O-N 2.71Å; R378-S381 PolarHBondContact O-OG 2.86Å; R378-L382 VanDerWaalsContact O-CD1 3.29Å; R378-L382 WeakPolarHBondContact O-CD1 3.36Å; R378-L382 PolarHBondContact O-N 3.17Å
379I57.8Low60.9Low96 Ų96128.4 Ų128.449%0.49261%0.607SS.*Hα-helixtrans-70.5-37.4177.5-68.2163.1000110.9R375 R376 S381 L382 I383R375-I379 WeakPolarHBondContact O-CD1 3.23Å; R375-I379 VanDerWaalsContact O-CG1 3.23Å; R375-I379 WeakPolarHBondContact O-CG1 3.34Å; R375-I379 PolarHBondContact O-N 2.88Å; R376-I379 PolarHBondContact O-N 3.42Å; R376-I379 VanDerWaalsContact O-N 3.17Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 2.78Å; I379-L382 PolarHBondContact O-N 2.95Å; I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 WeakPolarHBondContact O-CG1 3.45Å; I379-I383 PolarHBondContact O-N 2.88Å
380E54.4Low59.1Low126 Ų126132.6 Ų132.659%0.58962%0.624SS**Hα-helixtrans-66.3-33.1171.5-74.8173.5-173.800111.9R376 G384R376-E380 PolarHBondContact O-N 2.85Å; E380-G384 PolarHBondContact O-N 3.01Å
381S56.3Low56.8Low68 Ų68132.9 Ų132.948%0.47664%0.635SS.*Hα-helixtrans-69.8-32.7171.980.40000113.7E377 R378 I379 A385E377-S381 PolarHBondContact O-N 3.46Å; R378-S381 PolarHBondContact O-N 2.71Å; R378-S381 PolarHBondContact O-OG 2.86Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 2.78Å; S381-A385 WeakPolarHBondContact O-CB 3.12Å; S381-A385 PolarHBondContact O-N 3.33Å
382L53Low55.1Low125 Ų125135.4 Ų135.465%0.65465%0.648SS**Hα-helixtrans-77.8-28176.2-97.295.8000113.1R378 I379R378-L382 VanDerWaalsContact O-CD1 3.29Å; R378-L382 WeakPolarHBondContact O-CD1 3.36Å; R378-L382 PolarHBondContact O-N 3.17Å; I379-L382 PolarHBondContact O-N 2.95Å
383I53.4Low53.4Low127 Ų127130.4 Ų130.465%0.65165%0.653SS**Hα-helixtrans-85.2-29.3175.7-62.4168.7000110.8I379I379-I383 HydrophobicContact CG2-CD1 3.78Å; I379-I383 WeakPolarHBondContact O-CG1 3.45Å; I379-I383 PolarHBondContact O-N 2.88Å
384G51.6Low51.7Low43 Ų43137.2 Ų137.244%0.44368%0.675SS.*Hα-helixtrans-78.2-27172.900000115E380E380-G384 PolarHBondContact O-N 3.01Å
385A48.5Very low50.3Low69 Ų69141.5 Ų141.557%0.5769%0.691SS**THydrogen-bonded Turntrans-78.7-14.9-179.600000114.5S381S381-A385 WeakPolarHBondContact O-CB 3.12Å; S381-A385 PolarHBondContact O-N 3.33Å
386N45.8Very low48.8Very low153 Ų153140 Ų14082%0.81870%0.696SS**THydrogen-bonded Turntrans-90.80.9179.1-109.8-34.5000114.3
387L48.2Very low47.7Very low145 Ų145137 Ų13776%0.75970%0.7SS**SBendtrans-108.1-4.6178.3-152.371.2000114.2
388H46.5Very low46.6Very low159 Ų159135 Ų13574%0.73671%0.709SS**SBendtrans-127.517.6-171.9-76.6-62.3000117
389H42.1Very low45.2Very low162 Ų162136.6 Ų136.675%0.7572%0.721SS**  trans-122.655.9172.3-145.866.2000114.5
390F47.3Very low44.3Very low199 Ų199139.9 Ų139.987%0.87374%0.739SS**  trans-114.493.1140.7-88.1-82.8000107.3
391N35.4Very low43.5Very low128 Ų128145 Ų14568%0.68476%0.755SS**SBendtrans157.7133.9130.5-87.4-65.6000113.8
392L41.8Very low42.5Very low162 Ų162145 Ų14585%0.84877%0.765SS**  trans77.8108.9147.1-70.4145.2000118.8
393G42.7Very low42.2Very low78 Ų78144.6 Ų144.680%0.80477%0.77SS**  trans-78.5173.8176.900000115.4
394R36.6Very low41.7Very low239 Ų239146.4 Ų146.490%0.90278%0.781SS**  trans-158.4119.4156.1-152.9167.2-176.3170.50.1109.3
395R44.4Very low41Very low237 Ų237148 Ų14889%0.89480%0.797SS**  trans-61.1147.5165.7-62-179.6-174.9179.20.6109.8
396I34.8Very low40.6Very low161 Ų161155.5 Ų155.583%0.82682%0.818SS**  trans-148.3143.6140.1-87.5141.8000107.9
397P41.5Very low40Very low116 Ų116151 Ų15175%0.75381%0.808SS**  trans-118.4157.6-15431.1-11.9000115.5
398G36.5Very low39.8Very low68 Ų68151.4 Ų151.470%0.70182%0.816SS**  trans81.2108.713800000118.3
399F31.6Very low39.2Very low208 Ų208147 Ų14791%0.91281%0.814SS**  trans-156.4125133.3-112.8-82.1000108.7
400D37.3Very low38.9Very low165 Ų165147.5 Ų147.588%0.88282%0.821SS**  trans-70.1146.7-173.7-74.3-52.6000113.5
401Y38.9Very low38.5Very low234 Ų234143.9 Ų143.992%0.91882%0.815SS**  trans-106.2130.3163.4-82.7-88.3000110
402G35.3Very low39.1Very low67 Ų67143 Ų14369%0.69182%0.817SS**  trans-93.8143.9154.800000109.6
403P46.4Very low38.7Very low116 Ų116144.1 Ų144.175%0.75382%0.822SS**SBendtrans-88.5133.8-164.835-31.1000111.2
404D43Very low38.3Very low166 Ų166148.1 Ų148.189%0.88882%0.82SS**  trans171.795.6131.6-80.9-16.1000108.5
405G35.4Very low38.3Very low76 Ų76143.8 Ų143.878%0.78481%0.814SS**  trans-168.9100.8179.300000110.2
406F40.4Very low37.9Very low227 Ų227136.6 Ų136.6100%0.99680%0.8SS**  trans-49.5137.1172.7-99-102.7000112.1
407G34Very low38.6Very low59 Ų59136.3 Ų136.361%0.60880%0.8SS**  trans171.386166.300000116.7
408T44.2Very low38.5Very low153 Ų153137.6 Ų137.694%0.93980%0.801SS**  trans72.8140142.969.10000120.4
409G34.3Very low39.3Very low66 Ų66137.3 Ų137.368%0.6880%0.798SS**  trans117.1116.3-178.800000108
410L36.1Very low39.9Very low172 Ų172136.4 Ų136.490%0.90180%0.796SS**  -156140.851.5-67.1169.2000111.4
411T37.7Very low40.6Very low124 Ų124132.5 Ų132.576%0.76180%0.795SS**  trans-48.6-171.6150.151.60000112.9
412P48.3Very low40.5Very low109 Ų109124.2 Ų124.271%0.70878%0.781SS**  -132.1164-61.537.5-21.6000110.3
413L34Very low40.9Very low185 Ų185127.1 Ų127.197%0.96979%0.786SS**  trans-141.6140.1153.4-87.2-176.8000112.6
414H33.4Very low40.4Very low162 Ų162130.3 Ų130.375%0.7579%0.788SS**  trans-93.8164-174.6-159.970.4000109.4
415L36.9Very low40.2Very low148 Ų148130.2 Ų130.278%0.77578%0.782SS**  trans77.8131.7163-72.7142.6000115
416S36.6Very low40.2Very low87 Ų87136 Ų13661%0.60879%0.786SS**  cis-152.815918-65.40000110.4
417D47.9Very low40.4Very low155 Ų155133.9 Ų133.983%0.82978%0.779SS**  trans-74.1119.3158.1172.234.5000108.9
418D41.3Very low40.7Very low142 Ų142138.2 Ų138.276%0.75979%0.788SS**  trans-128.897.5158.1-1.6-39.2000106.3E420D418-E420 PolarHBondContact O-N 3.27Å
419G51.4Low40.9Very low63 Ų63136.2 Ų136.265%0.64978%0.778SS**  trans-62.4118.9172.400000111.2
420E44Very low41.5Very low188 Ų188138.7 Ų138.788%0.87978%0.782SS**  trans-163.6115.9151.9-160.876.3-128.900107.6D418D418-E420 PolarHBondContact O-N 3.27Å
421G52.8Low42Very low83 Ų83136.2 Ų136.286%0.85678%0.776SS**  trans51.8100.1160.300000119
422G37.3Very low42.4Very low61 Ų61135.3 Ų135.363%0.62977%0.772SS**  trans-159.191.1167.700000113.3F424G422-F424 PolarHBondContact O-N 3.01Å
423T44.3Very low41.8Very low127 Ų127140.9 Ų140.978%0.77978%0.781SS**  trans-50.1112.7163.4-68.10000110.3
424F34.2Very low42.2Very low184 Ų184139 Ų13981%0.80778%0.777SS**  trans-107.1108.6164.1-87.4-86.4000109.1G422 F426G422-F424 PolarHBondContact O-N 3.01Å; F424-F426 PolarHBondContact O-N 3.03Å
425H39.7Very low42.5Very low164 Ų164136 Ų13676%0.75978%0.78SS**PPolyproline II helixtrans-59.6121.1168.3-85.8-91.5000110
426F36Very low42.4Very low196 Ų196140.1 Ų140.186%0.8679%0.787SS**PPolyproline II helixtrans-85.2120.5158-87.4-91000108.3F424F424-F426 PolarHBondContact O-N 3.03Å
427H43.1Very low42.2Very low183 Ų183144 Ų14485%0.84779%0.793SS**PPolyproline II helixtrans-73.4122.5165.9-88.8-76.9000109.1
428D40.4Very low41.5Very low150 Ų150146.5 Ų146.580%0.80279%0.793SS**PPolyproline II helixtrans-67.6144164.9-74.9-43.4000111
429P49Very low41.4Very low112 Ų112145.2 Ų145.273%0.72779%0.792SS**PPolyproline II helixtrans-76.8143.9173.130.9-32.8000111.8
430P47.3Very low41Very low118 Ų118148.5 Ų148.577%0.76680%0.795SS**PPolyproline II helixtrans-80151.9178.531.2-32.8000112.9
431P45.3Very low40.8Very low120 Ų120147.8 Ų147.878%0.77980%0.795SS**PPolyproline II helixtrans-73.5157.5-178.529.8-34.4000113.6
432P47.2Very low40.4Very low105 Ų105146.7 Ų146.768%0.68278%0.784SS**PPolyproline II helixtrans-84.8169.8-178.835.8-33000112.4
433Y35.3Very low40.5Very low225 Ų225152.7 Ų152.788%0.88280%0.795SS**  trans100.783.8176.5-54.3-67.4000115.9
434T42.2Very low40.5Very low146 Ų146151.9 Ų151.990%0.89679%0.792SS**  trans-117141.5144.555.50000109.2
435A39.7Very low41Very low99 Ų99150.6 Ų150.682%0.81879%0.794SS**PPolyproline II helixtrans-68.7150.9-176.700000112.6K437A435-K437 PolarHBondContact O-N 3.49Å
436Y34.7Very low41.1Very low234 Ų234150.2 Ų150.292%0.91880%0.798SS**PPolyproline II helixtrans-55.9122178.7-117.4-95.5000111.9
437K32.3Very low41.9Very low169 Ų169146.2 Ų146.274%0.73579%0.791SS**PPolyproline II helixtrans-96129.9171.6-166-175.4178.6-1610109.5A435 D440A435-K437 PolarHBondContact O-N 3.49Å; K437-D440 IonicContact NZ-OD1 3.03Å
438Y34.9Very low42.1Very low208 Ų208143.3 Ų143.382%0.81679%0.789SS**PPolyproline II helixtrans-74.6155.1171-85.2-89.2000111.4
439P39Very low42.2Very low114 Ų114141.6 Ų141.674%0.7479%0.786SS**PPolyproline II helixtrans-76144.9-172.63.412.3000112.6
440D41.4Very low41.7Very low133 Ų133142.2 Ų142.271%0.71179%0.79SS**PPolyproline II helixtrans-62.4128.5-175.6-57.5-63.6000113.4K437K437-D440 IonicContact NZ-OD1 3.03Å
441I40Very low41.3Very low172 Ų172146.9 Ų146.988%0.88279%0.794SS**PPolyproline II helixtrans-102.4116.2154.7-72.9166.5000105.6
442G45.8Very low40.9Very low61 Ų61150.2 Ų150.263%0.62980%0.799SS**PPolyproline II helixtrans-77.1147.4-172.700000114.1
443Q39.9Very low40.4Very low186 Ų186149.5 Ų149.587%0.86980%0.802SS**  trans-171.8170.2138.8-145.6104-2.300108.6
444P42.9Very low40.5Very low110 Ų110143.9 Ų143.971%0.71480%0.795SS**  -103.5177.3-115.433.6-11.4000113.8
445D44.6Very low40.3Very low157 Ų157144.9 Ų144.984%0.8479%0.794SS**  trans-49.5131.2-179.2-58.2-76.7000115.6
446D43Very low40Very low157 Ų157148.2 Ų148.284%0.8479%0.792SS**  trans-148.7136143.2-96.9-34.9000109.6
447P51.7Low40.3Very low112 Ų112141.9 Ų141.973%0.72778%0.779SS**PPolyproline II helixtrans-75.8145.7-18030.5-33.7000111.8
448P47.5Very low40.5Very low122 Ų122141.3 Ų141.379%0.79278%0.784SS**PPolyproline II helixtrans-74.5146.5178.329.9-33.2000112.1
449P42.4Very low40.4Very low113 Ų113137.3 Ų137.373%0.73479%0.787SS**PPolyproline II helixtrans-75.4157.6175.631.5-33.5000112
450P38.1Very low40.2Very low125 Ų125137.6 Ų137.681%0.81279%0.786SS**PPolyproline II helixtrans-77141.9179.432.9-31.7000110.3
451Y38.6Very low39.9Very low217 Ų217139.3 Ų139.385%0.85179%0.788SS**PPolyproline II helixtrans-80.1121.7171.660-85.1000109.2
452E37.7Very low39.5Very low189 Ų189140.8 Ų140.888%0.88378%0.783SS**  trans-170.5114.6151-113.6173.8179.900108.5
453A37.1Very low38.9Very low90 Ų90144.7 Ų144.774%0.74479%0.79SS**  trans163.3115.3133.400000111.7
454S37.8Very low39Very low108 Ų108141.3 Ų141.376%0.75578%0.784SS**  6296.3123.4-45.50000118.6H456S454-H456 PolarHBondContact O-N 3.32Å
455I36.6Very low38.6Very low167 Ų167140 Ų14086%0.85678%0.783SS**  trans-63.1111.6155.1-62.4175.8000108.2
456H33.6Very low38.1Very low169 Ų169140.3 Ų140.378%0.78279%0.785SS**  trans-102.2126.9153.6-105.976.7000107.3S454S454-H456 PolarHBondContact O-N 3.32Å
457P41.3Very low37.8Very low101 Ų101140 Ų14066%0.65678%0.782SS**  trans-94106.6174.133.2-22.8000108.1
458D36.6Very low36.9Very low156 Ų156142.1 Ų142.183%0.83479%0.788SS**  trans-167.291.9157.5-89.8-30.2000109.1
459S32.3Very low36.3Very low124 Ų124139.9 Ų139.987%0.86778%0.78SS**  trans-170.492.8150.9270000109.4
460V35.7Very low35.8Very low121 Ų121144.4 Ų144.473%0.73379%0.789SS**  trans-69.1158.9156.3-174.70000108.5
461F34.1Very low35.6Very low169 Ų169146.5 Ų146.574%0.74179%0.787SS**  trans99.3132.9166.4-72.6-98.4000115.6
462Y31.9Very low36.2Very low202 Ų202141 Ų14179%0.79278%0.778SS**  cis-170.8161.8-1-144.9-125.8000109.1
463D32.7Very low35.8Very low143 Ų143136.9 Ų136.977%0.76578%0.777SS**  trans-95.5140.3169.7-161.95.5000108.9
464P43.2Very low35.5Very low115 Ų115141.4 Ų141.475%0.74778%0.782SS**  trans-103.9125.9-171.734.8-23.6000113
465A33.8Very low35.1Very low83 Ų83142.2 Ų142.269%0.68678%0.782SS**  trans-172.4108.9148.200000110.1
466D35.4Very low34.8Very low164 Ų164139.6 Ų139.688%0.87778%0.779SS**  160.7130.3111.6-86.8-29000111.5
467D34.8Very low34.8Very low149 Ų149139.5 Ų139.580%0.79778%0.783SS**  trans-50.2138.4168.1-89.3-80000112.6
468D34.3Very low35Very low157 Ų157140.9 Ų140.984%0.8479%0.792SS**  -179.2149.6102.7-108.6-49.3000113
469A34.2Very low34.9Very low76 Ų76137.7 Ų137.763%0.62879%0.788SS**  trans-44.7147.3-174.400000118.9
470F31.8Very low35.5Very low208 Ų208138 Ų13891%0.91279%0.787SS**  179.2124.9107.7-108.8-90.2000111.9
471E34.9Very low35.2Very low169 Ų169136.2 Ų136.279%0.7979%0.793SS**  trans-75.9-179167-92.2-109.5123.200112
472P49.8Very low35.2Very low102 Ų102136.3 Ų136.366%0.66280%0.801SS**  cis-137177.4-45.535.9-18.4000112.5
473A31Very low35.2Very low102 Ų102130.3 Ų130.384%0.84380%0.801SS**  trans-175.7135.9134.600000113
474E30.6Very low35.1Very low184 Ų184126.9 Ų126.986%0.8680%0.799SS**  trans-64.3161-179-55.8176.9123.700114.9
475V29.2Very low34.5Very low126 Ų126126.4 Ų126.476%0.76480%0.799SS**  166.8111.9114.5162.20000111.5
476S30.6Very low34.5Very low111 Ų111131.6 Ų131.678%0.77681%0.809SS**  trans51.1119.7133.2-46.50000123.5
477L33.7Very low34.2Very low167 Ų167127.3 Ų127.387%0.87480%0.803SS**  trans-75.7160.3144.7-74.2162.3000110.5
478P43.7Very low33.9Very low131 Ų131125.6 Ų125.685%0.85181%0.81SS**  -145.416885.232.9-11.7000116.3
479A34.8Very low33.7Very low89 Ų89126 Ų12674%0.73681%0.811SS**  trans-85.2-148.4-17300000114.2
480P44.9Very low34.4Very low130 Ų130127.5 Ų127.584%0.84481%0.814SS**  -118.8166.3-90.934-16.8000113.2
481G30.6Very low34.1Very low84 Ų84129.9 Ų129.987%0.86682%0.817SS**  trans-106.2122.7174.500000112.4
482D33.8Very low33.6Very low171 Ų171132.9 Ų132.991%0.91482%0.821SS**  trans-84.7159.7177.2-170.319.3000112.1
483G31.6Very low32.4Very low76 Ų76135.2 Ų135.278%0.78483%0.827SS**  trans17685.2175.700000113.2
484G30.3Very low32.2Very low71 Ų71138.3 Ų138.373%0.73282%0.824SS**  trans-92167.6175.600000115.3
485S31.5Very low32.2Very low105 Ų105137.4 Ų137.473%0.73482%0.82SS**  trans-172.8123.8132.5-1290000111.8
486E32.4Very low32.5Very low192 Ų192137.4 Ų137.490%0.89782%0.823SS**  trans42.1137.6138.2-56.8179.7114.200121
487G29.6Very low32.3Very low73 Ų73137.9 Ų137.975%0.75382%0.816SS**  cis168.2171.26.600000111.6
488A29.6Very low32.5Very low114 Ų114136 Ų13694%0.94281%0.814SS**  trans85.4132.1161.100000121.6
489L29.6Very low31.6Very low165 Ų165135.3 Ų135.386%0.86481%0.807SS**  trans-117.5-179.6-176.1-126.7162.4000108.2
490P47.9Very low31.2Very low108 Ų108138 Ų13870%0.70181%0.814SS**  -106.5170.7-10339.7-25.5000115.4
491R26.5Very low30.4Very low257 Ų257135 Ų13597%0.9781%0.807SS**  trans-150.9148.3147.7-93-145.9167.1151.7-1115.5
492R24.4Very low30.3Very low233 Ų233136 Ų13688%0.87981%0.807SS**  trans-88.7147.3-173.4-175.5-168.5-165.4-171.74.9111.7
493L24.4Very low30Very low150 Ų150133.2 Ų133.279%0.78580%0.801SS**  trans172.7146.9152.4-119.486.9000106.4
494E26.5Very low29.9Very low168 Ų168137.6 Ų137.679%0.78581%0.806SS**  cis-169.6157-6.1-139.4169.498.200104.7
495Q30.2Very low30Very low164 Ų164138 Ų13877%0.76680%0.801SS**  trans-74.2170.9177.1-126.1158.8-5.700110.9
496P35.6Very low29.8Very low127 Ų127140 Ų14083%0.82580%0.804SS**  -154.7166.274.835.8-12.6000118.6
497L26.9Very low29.7Very low121 Ų121139.2 Ų139.263%0.63481%0.805SS**  trans-69.2172.7169.6-133.186.1000112.8T499L497-T499 HydrophobicContact CD2-CG2 4.28Å
498P36.8Very low29.8Very low127 Ų127144.4 Ų144.483%0.82581%0.81SS**  -135.5166.3104.237.9-26.7000115.7
499T25.8Very low29.7Very low117 Ų117145.9 Ų145.972%0.71880%0.802SS**  trans-106.7-177.7-162.4-24.40000112L497L497-T499 HydrophobicContact CD2-CG2 4.28Å
500V27.1Very low29.7Very low145 Ų145143.1 Ų143.188%0.87980%0.797SS**  trans106.4121.7159.9-172.70000112.9
501G27.3Very low28.9Very low67 Ų67141.9 Ų141.969%0.69180%0.795SS**  cis158.1142.8-0.900000111.1
502A29.3Very low29Very low105 Ų105136.5 Ų136.587%0.86879%0.786SS**  trans59148.4152.500000120
503S26.6Very low29.3Very low113 Ų113130.3 Ų130.379%0.7978%0.778SS**  cis-170.2159.9-3.849.70000109.7
504L30.6Very low29.5Very low168 Ų168128.9 Ų128.988%0.8878%0.78SS**  trans-32.1144.4160.2-87.9128.7000117.9
505A30.8Very low29.7Very low78 Ų78126.4 Ų126.465%0.64578%0.782SS**  160.1130.9108.700000113.6
506D28.6Very low29.8Very low147 Ų147123.2 Ų123.279%0.78678%0.778SS**  trans50.5124.7139-52.5-33.2000123.3
507L29.8Very low29.5Very low177 Ų177124.6 Ų124.693%0.92778%0.777SS**  -165.2117.3126.1-110.5143.9000112
508E32Very low29.6Very low181 Ų181126.8 Ų126.885%0.84679%0.789SS**  trans-78.7154.4167.4-68171.398.500112.1
509D28Very low29.3Very low146 Ų146126.9 Ų126.978%0.78179%0.787SS**  trans145.9114.1136.9-103.9-24.5000110.5
510S29.2Very low30.7Very low107 Ų107126.7 Ų126.775%0.74879%0.787SS**  63.9140.679.8-47.80000112.3
511A30.8Very low31.7Very low81 Ų81125.7 Ų125.767%0.66978%0.784SS**  cis-175168.2-15.500000105.5
512D27.8Very low32Very low145 Ų145129.8 Ų129.878%0.77579%0.79SS**  trans86.6103.2152.3-61.5-29000123.6
513S31.7Very low32.9Very low102 Ų102130.6 Ų130.671%0.71379%0.786SS**  53.1125.4108.2-55.80000121.3
514S29.1Very low33.1Very low120 Ų120130 Ų13084%0.83979%0.788SS**  168.4142.6109.4-70.30000115.2
515S29.3Very low33.2Very low116 Ų116131.2 Ų131.281%0.81179%0.79SS**  trans-51.7167.8168-44.80000114.3
516S32.2Very low33.1Very low98 Ų98133.4 Ų133.469%0.68580%0.8SS**  cis177.9154.140.253.30000112.7
517L30.1Very low33.2Very low156 Ų156129.8 Ų129.882%0.81780%0.797SS**  trans64.3125.9143.4-67.8165.9000123.5
518L28.1Very low33.3Very low167 Ų167127.3 Ų127.387%0.87480%0.795SS**  170.5151.6109.4-86.4170.5000114
519V31.3Very low33.4Very low129 Ų129126.3 Ų126.378%0.78279%0.794SS**  trans-135.9172.7-177.4172.10000106.5
520P55Low34.1Very low112 Ų112125.5 Ų125.573%0.72780%0.797SS**  cis-121.4-158.6-39.536-15.9000111.7
521P48Very low34.1Very low125 Ų125124.8 Ų124.881%0.81280%0.797SS**  -151.8167.287.337.2-15.9000118.4
522D33.2Very low34.2Very low153 Ų153125.5 Ų125.582%0.81880%0.803SS**  trans-76169.9169-104.6-23.4000113.3
523P48.8Very low34.2Very low121 Ų121127.3 Ų127.379%0.78681%0.807SS**  -152.2148.59837.2-17.1000119.1
524A29.8Very low34.1Very low101 Ų101126.2 Ų126.284%0.83580%0.804SS**  83.5133.4128.400000124.4
525Q33.1Very low34.2Very low194 Ų194128.3 Ų128.391%0.90781%0.805SS**  trans-70.9153.1-179.7-59.5163.720.600115.4
526S30.1Very low35.3Very low123 Ų123128.6 Ų128.686%0.8680%0.804SS**  -163.7136.8126.9630000110.5
527G29.9Very low35.2Very low71 Ų71127.5 Ų127.573%0.73281%0.808SS**  trans-100.5166.6-176.900000114
528S30.7Very low35.2Very low126 Ų126124.1 Ų124.188%0.88181%0.811SS**  trans161.7137.1131.746.20000111.8
529I34.1Very low35.3Very low160 Ų160119.6 Ų119.682%0.82181%0.805SS**  trans-81.4147.9172.7-69.9170.2000108.2
530P44.2Very low35.4Very low129 Ų129124.9 Ų124.984%0.83881%0.811SS**  -144.6166.598.329.4-6.4000117
531A29.3Very low34.4Very low91 Ų91127.8 Ų127.875%0.75281%0.814SS**  trans-83.4-179.5-171.100000115.5
532A32.1Very low33.7Very low96 Ų96127.8 Ų127.879%0.79382%0.817SS**  trans78.7143.7162.100000114.5
533E27.9Very low33.8Very low183 Ų183131.5 Ų131.586%0.85582%0.82SS**  cis-153140.824.9-82.7-17499.900108.6
534A28.8Very low33Very low79 Ų79131 Ų13165%0.65382%0.819SS**  70.9106.910200000118.1
535L32.2Very low33.4Very low165 Ų165130.9 Ų130.986%0.86481%0.812SS**  59.8177129.9-64.8169.3000119.2
536P52.4Low33.6Very low121 Ų121128.5 Ų128.579%0.78681%0.805SS**  -134175.8-67.239.2-23.2000112.8
537G29.6Very low33.9Very low76 Ų76129.6 Ų129.678%0.78480%0.801SS**  trans116.6138.2136.500000119.2
538G30.6Very low34.3Very low85 Ų85131.8 Ų131.888%0.87680%0.8SS**  trans84110.115700000114
539G30.3Very low34.9Very low72 Ų72131.6 Ų131.674%0.74279%0.794SS**  cis109.1115.43300000108.6
540R34.1Very low35.5Very low240 Ų240133.8 Ų133.891%0.90681%0.814SS**  trans166.2117.6136.7-93.9174.9169.2-177.5-2.5112.2
541H33.4Very low35.1Very low172 Ų172134 Ų13480%0.79681%0.813SS**  trans25.5126.4136.5-57.1-63.9000119.9
542S33.2Very low35.4Very low125 Ų125136.3 Ų136.387%0.87482%0.816SS**  -157.9143.897.6-154.80000112.5
543R35.5Very low35.6Very low231 Ų231138.5 Ų138.587%0.87282%0.817SS**  trans-94.6144.5-178.4-79.3168.6152.1175.8-8110.3
544S32.6Very low36Very low112 Ų112135.9 Ų135.978%0.78382%0.815SS**  trans-154.4107.2137.760.40000106.2
545S37.8Very low36.5Very low98 Ų98139.4 Ų139.469%0.68583%0.825SS**  49.6121.968.7-147.90000110.9
546L37.5Very low36.7Very low144 Ų144137.7 Ų137.775%0.75482%0.823SS**  cis-147141.222-80.596000108.7
547N36.6Very low35.6Very low145 Ų145138.9 Ų138.978%0.77583%0.825SS**  36.5132.287.6-71-0.8000115.3
548T36.6Very low36.1Very low117 Ų117143.8 Ų143.872%0.71883%0.828SS**  -175.2125.276-45.30000105.7
549V44.3Very low36.6Very low123 Ų123148.7 Ų148.775%0.74582%0.824SS**  52.5124.582.6-170.30000110.7
550V46.8Very low37.1Very low205 Ų205155.6 Ų155.6100%1.24283%0.832SS**  -139.8056.8173.30000111.3

Retrieved 550 of 550 residues in 137 ms (Link to these results)