A0A077YYA0_TRITR Loading...

Target of rapamycin complex 2 subunit MAPKAP1

AlphaFold DB , UniProt , Accession A0A077YYA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 509 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.4Very low75.1Confident243 Ų243121.1 Ų121.1100%1.19762%0.616SS**  0120.50-79.4177.7151.900108.1S3M1-S3 PolarHBondContact O-N 3.34Å
2A60.9Low76Confident73 Ų73117.8 Ų117.860%0.60360%0.601SS**  trans-66.6125.2177.900000109.8W4A2-W4 HydrophobicContact CB-CZ2 4.44Å; A2-W4 PolarHBondContact O-N 3.18Å
3S68.1Low76.8Confident76 Ų76114.6 Ų114.653%0.53159%0.585SS.*  trans-81.198.9180520000110.7M1 H5M1-S3 PolarHBondContact O-N 3.34Å; S3-H5 PolarHBondContact O-N 2.94Å
4W73.9Confident77.6Confident142 Ų142112.2 Ų112.254%0.53857%0.573SS.*  trans-82.721.5178.2-63.7101.7000114A2 S6 V10 L13A2-W4 HydrophobicContact CB-CZ2 4.44Å; A2-W4 PolarHBondContact O-N 3.18Å; W4-S6 VanDerWaalsContact C-N 3.26Å; W4-S6 PolarHBondContact O-N 3.42Å; W4-V10 HydrophobicContact CE3-CG2 4.41Å; W4-L13 HydrophobicContact CE3-CD2 4.36Å; W4-L13 HydrophobicContact CH2-CB 4.49Å; W4-L13 HydrophobicContact CH2-CD1 4.02Å; W4-L13 HydrophobicContact CH2-CD2 3.52Å; W4-L13 HydrophobicContact CH2-CG 4.18Å; W4-L13 HydrophobicContact CZ2-CD2 4.33Å; W4-L13 HydrophobicContact CZ3-CB 4Å; W4-L13 HydrophobicContact CZ3-CD1 4.39Å; W4-L13 HydrophobicContact CZ3-CD2 3.52Å; W4-L13 HydrophobicContact CZ3-CG 4.14Å
5H72.2Confident78.3Confident181 Ų181109.1 Ų109.184%0.83855%0.551SS**  trans-71.6-10-170.8-66.6-61.4000115.6S3S3-H5 PolarHBondContact O-N 2.94Å
6S83.1Confident78.7Confident50 Ų50109.7 Ų109.735%0.3555%0.551SS.*  trans-100.2119.8178.7178.30000111.2W4 Q8 K9 V10W4-S6 VanDerWaalsContact C-N 3.26Å; W4-S6 PolarHBondContact O-N 3.42Å; S6-Q8 PolarHBondContact O-N 3.47Å; S6-K9 WeakPolarHBondContact O-CB 3.46Å; S6-K9 PolarHBondContact O-N 3.24Å; S6-V10 PolarHBondContact O-N 3.25Å
7K85.5Confident79.3Confident186 Ų186106.6 Ų106.681%0.80954%0.539SS*.Hα-helixtrans-52-37.7174.4-67.8-177.8180179.40112K9 V10 V11K7-K9 VanDerWaalsContact C-N 3.33Å; K7-K9 PolarHBondContact O-N 3.27Å; K7-V10 PolarHBondContact O-N 2.99Å; K7-V11 WeakPolarHBondContact O-CG2 3.43Å; K7-V11 PolarHBondContact O-N 2.99Å
8Q82.8Confident79.9Confident140 Ų140106.7 Ų106.765%0.65454%0.536SS*.Hα-helixtrans-60.8-41.3177.9-147.8975.200112.1S6 V11 N12S6-Q8 PolarHBondContact O-N 3.47Å; Q8-V11 PolarHBondContact O-N 3.18Å; Q8-N12 WeakPolarHBondContact O-CB 3.4Å; Q8-N12 VanDerWaalsContact O-CG 3.3Å; Q8-N12 PolarHBondContact O-N 2.98Å
9K82.4Confident80.3Confident122 Ų122103 Ų10353%0.5352%0.521SS..Hα-helixtrans-67-38.1178.3-69.5-175.7179.5-1780111.5S6 K7 L13S6-K9 WeakPolarHBondContact O-CB 3.46Å; S6-K9 PolarHBondContact O-N 3.24Å; K7-K9 VanDerWaalsContact C-N 3.33Å; K7-K9 PolarHBondContact O-N 3.27Å; K9-L13 WeakPolarHBondContact O-CB 3.5Å; K9-L13 PolarHBondContact O-N 2.71Å
10V86.6Confident80.5Confident54 Ų54102.2 Ų102.233%0.32752%0.521SS..Hα-helixtrans-66.7-45.6176.9179.20000110.8W4 S6 K7 N12 L13 I14W4-V10 HydrophobicContact CE3-CG2 4.41Å; S6-V10 PolarHBondContact O-N 3.25Å; K7-V10 PolarHBondContact O-N 2.99Å; V10-N12 PolarHBondContact O-N 3.41Å; V10-L13 PolarHBondContact O-N 3.1Å; V10-I14 HydrophobicContact CG1-CD1 3.93Å; V10-I14 VanDerWaalsContact O-CG1 3.28Å; V10-I14 WeakPolarHBondContact O-CG1 3.28Å; V10-I14 PolarHBondContact O-N 3.38Å
11V86.5Confident80.9Confident65 Ų65101.6 Ų101.639%0.39452%0.523SS..Hα-helixtrans-61.9-43.7177.1173.10000111.4K7 Q8 I14 R15K7-V11 WeakPolarHBondContact O-CG2 3.43Å; K7-V11 PolarHBondContact O-N 2.99Å; Q8-V11 PolarHBondContact O-N 3.18Å; V11-I14 PolarHBondContact O-N 3.24Å; V11-R15 WeakPolarHBondContact O-CG 3.45Å; V11-R15 PolarHBondContact O-N 2.98Å
12N85.3Confident83Confident82 Ų8292 Ų9244%0.43948%0.476SS..Hα-helixtrans-66.7-37.3177.4-71.7-4.9000112.2Q8 V10 H16Q8-N12 WeakPolarHBondContact O-CB 3.4Å; Q8-N12 VanDerWaalsContact O-CG 3.3Å; Q8-N12 PolarHBondContact O-N 2.98Å; V10-N12 PolarHBondContact O-N 3.41Å; N12-H16 WeakPolarHBondContact O-CB 3.29Å; N12-H16 PolarHBondContact O-N 3.29Å
13L87Confident84.3Confident76 Ų7696.3 Ų96.340%0.39849%0.489SS..Hα-helixtrans-61.3-46.6172.1177.474.5000111W4 K9 V10 R15 H16 T17W4-L13 HydrophobicContact CE3-CD2 4.36Å; W4-L13 HydrophobicContact CH2-CB 4.49Å; W4-L13 HydrophobicContact CH2-CD1 4.02Å; W4-L13 HydrophobicContact CH2-CD2 3.52Å; W4-L13 HydrophobicContact CH2-CG 4.18Å; W4-L13 HydrophobicContact CZ2-CD2 4.33Å; W4-L13 HydrophobicContact CZ3-CB 4Å; W4-L13 HydrophobicContact CZ3-CD1 4.39Å; W4-L13 HydrophobicContact CZ3-CD2 3.52Å; W4-L13 HydrophobicContact CZ3-CG 4.14Å; K9-L13 WeakPolarHBondContact O-CB 3.5Å; K9-L13 PolarHBondContact O-N 2.71Å; V10-L13 PolarHBondContact O-N 3.1Å; L13-R15 PolarHBondContact O-N 2.83Å; L13-H16 PolarHBondContact O-N 2.92Å; L13-T17 VanDerWaalsContact O-CB 3.32Å; L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 PolarHBondContact O-N 3.26Å; L13-T17 PolarHBondContact O-OG1 3.27Å
14I88.5Confident85.1Confident81 Ų8196.2 Ų96.242%0.41549%0.489SS..Hα-helixtrans-58.2-51.2179.8-72.2168.2000109.4V10 V11 H16 T17 F18V10-I14 HydrophobicContact CG1-CD1 3.93Å; V10-I14 VanDerWaalsContact O-CG1 3.28Å; V10-I14 WeakPolarHBondContact O-CG1 3.28Å; V10-I14 PolarHBondContact O-N 3.38Å; V11-I14 PolarHBondContact O-N 3.24Å; I14-H16 PolarHBondContact O-N 3.27Å; I14-T17 PolarHBondContact O-N 3.02Å; I14-F18 HydrophobicContact CG2-CD2 3.66Å; I14-F18 HydrophobicContact CG2-CE2 3.83Å; I14-F18 VanDerWaalsContact O-CD2 3.23Å; I14-F18 WeakPolarHBondContact O-CD2 3.23Å; I14-F18 PolarHBondContact O-N 2.92Å
15R87Confident85.5Confident65 Ų6591.4 Ų91.425%0.24548%0.483CS..Hα-helixtrans-58.3-46.5178-72.3-177.1176.6148-7112.9V11 L13 S19 L31 A34V11-R15 WeakPolarHBondContact O-CG 3.45Å; V11-R15 PolarHBondContact O-N 2.98Å; L13-R15 PolarHBondContact O-N 2.83Å; R15-S19 WeakPolarHBondContact O-CB 3.12Å; R15-S19 PolarHBondContact O-N 3.47Å; R15-S19 PolarHBondContact O-OG 2.99Å; R15-L31 HydrophobicContact CG-CB 4.42Å; R15-A34 VanDerWaalsContact NH1-CB 3.3Å
16H85.6Confident86Confident119 Ų11985.6 Ų85.655%0.55146%0.457SS*.Hα-helixtrans-64.7-46179-179-80.2000111.3N12 L13 I14 S19 T20N12-H16 WeakPolarHBondContact O-CB 3.29Å; N12-H16 PolarHBondContact O-N 3.29Å; L13-H16 PolarHBondContact O-N 2.92Å; I14-H16 PolarHBondContact O-N 3.27Å; H16-S19 PolarHBondContact O-N 3.05Å; H16-T20 WeakPolarHBondContact O-CB 3.2Å; H16-T20 VanDerWaalsContact O-CG2 3.31Å; H16-T20 WeakPolarHBondContact O-CG2 3.35Å; H16-T20 PolarHBondContact O-N 2.89Å; H16-T20 PolarHBondContact O-OG1 2.92Å
17T89.1Confident85.9Confident57 Ų5784.6 Ų84.635%0.3545%0.45SS..Hα-helixtrans-60.4-54.7180-49.80000109.9L13 I14 S19 T20 T21L13-T17 VanDerWaalsContact O-CB 3.32Å; L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 PolarHBondContact O-N 3.26Å; L13-T17 PolarHBondContact O-OG1 3.27Å; I14-T17 PolarHBondContact O-N 3.02Å; T17-S19 PolarHBondContact O-N 2.79Å; T17-T20 PolarHBondContact O-N 3.38Å; T17-T20 PolarHBondContact O-OG1 2.8Å; T17-T21 HydrophobicContact CG2-CG2 4.15Å; T17-T21 WeakPolarHBondContact O-CB 3.32Å; T17-T21 WeakPolarHBondContact O-CG2 3.45Å; T17-T21 PolarHBondContact O-N 3.32Å; T17-T21 PolarHBondContact O-OG1 3.35Å
18F89.4Confident85.7Confident108 Ų10878.5 Ų78.547%0.47443%0.434SS..Hα-helixtrans-64.6-38.7-178.9-78.4-72.4000113I14 T20 D22 C27 L31I14-F18 HydrophobicContact CG2-CD2 3.66Å; I14-F18 HydrophobicContact CG2-CE2 3.83Å; I14-F18 VanDerWaalsContact O-CD2 3.23Å; I14-F18 WeakPolarHBondContact O-CD2 3.23Å; I14-F18 PolarHBondContact O-N 2.92Å; F18-T20 VanDerWaalsContact C-N 3.32Å; F18-T20 PolarHBondContact O-N 2.85Å; F18-D22 WeakPolarHBondContact O-CB 3.23Å; F18-D22 PolarHBondContact O-N 2.73Å; F18-C27 HydrophobicContact CB-CB 4.18Å; F18-C27 VanDerWaalsContact O-CB 3.29Å; F18-C27 WeakPolarHBondContact O-CB 3.09Å; F18-L31 HydrophobicContact CB-CD1 3.82Å; F18-L31 HydrophobicContact CG-CD1 4.5Å
19S86.8Confident85.7Confident37 Ų3775.1 Ų75.126%0.25943%0.431SS..Hα-helixtrans-70.5-27177.9-59.30000113.2R15 H16 T17R15-S19 WeakPolarHBondContact O-CB 3.12Å; R15-S19 PolarHBondContact O-N 3.47Å; R15-S19 PolarHBondContact O-OG 2.99Å; H16-S19 PolarHBondContact O-N 3.05Å; T17-S19 PolarHBondContact O-N 2.79Å
20T85.7Confident85.8Confident86 Ų8673.6 Ų73.653%0.52843%0.431SS..Hα-helixtrans-93.1-26.9-179.954.50000113.8H16 T17 F18H16-T20 WeakPolarHBondContact O-CB 3.2Å; H16-T20 VanDerWaalsContact O-CG2 3.31Å; H16-T20 WeakPolarHBondContact O-CG2 3.35Å; H16-T20 PolarHBondContact O-N 2.89Å; H16-T20 PolarHBondContact O-OG1 2.92Å; T17-T20 PolarHBondContact O-N 3.38Å; T17-T20 PolarHBondContact O-OG1 2.8Å; F18-T20 VanDerWaalsContact C-N 3.32Å; F18-T20 PolarHBondContact O-N 2.85Å
21T88.8Confident85.6Confident90 Ų9073.6 Ų73.655%0.55243%0.429SS*.Hα-helixtrans-91.6-11.8178.261.50000113.6T17 D23T17-T21 HydrophobicContact CG2-CG2 4.15Å; T17-T21 WeakPolarHBondContact O-CB 3.32Å; T17-T21 WeakPolarHBondContact O-CG2 3.45Å; T17-T21 PolarHBondContact O-N 3.32Å; T17-T21 PolarHBondContact O-OG1 3.35Å; T21-D23 PolarHBondContact O-N 3.49Å
22D88.7Confident85Confident41 Ų4174.7 Ų74.722%0.21944%0.438CS..  trans-86.5101179.5178.133.8000111.9F18 S24 G25 M26 C27F18-D22 WeakPolarHBondContact O-CB 3.23Å; F18-D22 PolarHBondContact O-N 2.73Å; D22-S24 PolarHBondContact O-N 2.97Å; D22-S24 WeakPolarHBondContact OD1-CB 3.32Å; D22-S24 PolarHBondContact OD1-N 2.93Å; D22-S24 PolarHBondContact OD1-OG 3.02Å; D22-S24 PolarHBondContact OD2-OG 3.42Å; D22-G25 PolarHBondContact O-N 2.68Å; D22-G25 PolarHBondContact OD2-N 2.67Å; D22-M26 WeakPolarHBondContact OD2-CA 3.48Å; D22-M26 PolarHBondContact OD2-N 3.39Å; D22-C27 HydrophobicContact CB-CB 3.66Å; D22-C27 WeakPolarHBondContact OD2-CB 3.31Å; D22-C27 PolarHBondContact OD2-N 3.4Å
23D86.8Confident84.2Confident164 Ų16476.6 Ų76.688%0.87745%0.448SS*.THydrogen-bonded Turntrans-63.6-20.2175.2-65.2-20.1000113.1T21 G25T21-D23 PolarHBondContact O-N 3.49Å; D23-G25 VanDerWaalsContact C-N 3.3Å; D23-G25 PolarHBondContact O-N 2.89Å
24S85.4Confident83Confident74 Ų7476.6 Ų76.652%0.51746%0.459SS..THydrogen-bonded Turntrans-78.3-15-17976.10000113.4D22 M26D22-S24 PolarHBondContact O-N 2.97Å; D22-S24 WeakPolarHBondContact OD1-CB 3.32Å; D22-S24 PolarHBondContact OD1-N 2.93Å; D22-S24 PolarHBondContact OD1-OG 3.02Å; D22-S24 PolarHBondContact OD2-OG 3.42Å; S24-M26 PolarHBondContact O-N 3.45Å; S24-M26 WeakPolarHBondContact OG-CB 3.29Å; S24-M26 WeakPolarHBondContact OG-CG 3.46Å; S24-M26 PolarHBondContact OG-N 3.12Å
25G82.2Confident81.3Confident41 Ų4179.2 Ų79.242%0.42348%0.478SS..SBendtrans704-174.800000114.2D22 D23 A29D22-G25 PolarHBondContact O-N 2.68Å; D22-G25 PolarHBondContact OD2-N 2.67Å; D23-G25 VanDerWaalsContact C-N 3.3Å; D23-G25 PolarHBondContact O-N 2.89Å; G25-A29 PolarHBondContact O-N 3.48Å
26M82.2Confident79.3Confident59 Ų5978.7 Ų78.729%0.29149%0.493SS..Hα-helixtrans-71.7-39.9-177.9-64.3-69.4-70.400111.2D22 S24 A28 A29 V30 V62 L64D22-M26 WeakPolarHBondContact OD2-CA 3.48Å; D22-M26 PolarHBondContact OD2-N 3.39Å; S24-M26 PolarHBondContact O-N 3.45Å; S24-M26 WeakPolarHBondContact OG-CB 3.29Å; S24-M26 WeakPolarHBondContact OG-CG 3.46Å; S24-M26 PolarHBondContact OG-N 3.12Å; M26-A28 VanDerWaalsContact C-N 3.3Å; M26-A28 PolarHBondContact O-N 3.4Å; M26-A29 PolarHBondContact O-N 2.74Å; M26-A29 VanDerWaalsContact O-N 3.12Å; M26-V30 WeakPolarHBondContact O-CB 3.32Å; M26-V30 VanDerWaalsContact O-CG2 3.29Å; M26-V30 WeakPolarHBondContact O-CG2 3.43Å; M26-V30 PolarHBondContact O-N 3.33Å; M26-V62 HydrophobicContact CE-CB 3.65Å; M26-V62 HydrophobicContact CE-CG1 3.37Å; M26-V62 HydrophobicContact CE-CG2 3.93Å; M26-V62 HydrophobicContact SD-CG1 3.68Å; M26-L64 HydrophobicContact SD-CD1 4.29Å; M26-L64 HydrophobicContact SD-CD2 3.95Å; M26-L64 HydrophobicContact SD-CG 4.21Å
27C82.8Confident76.9Confident30 Ų3078.2 Ų78.220%0.20351%0.51CS..Hα-helixtrans-62.3-37.6177-70.50000111.7F18 D22 A29 V30 L31F18-C27 HydrophobicContact CB-CB 4.18Å; F18-C27 VanDerWaalsContact O-CB 3.29Å; F18-C27 WeakPolarHBondContact O-CB 3.09Å; D22-C27 HydrophobicContact CB-CB 3.66Å; D22-C27 WeakPolarHBondContact OD2-CB 3.31Å; D22-C27 PolarHBondContact OD2-N 3.4Å; C27-A29 VanDerWaalsContact C-N 3.3Å; C27-A29 PolarHBondContact O-N 2.95Å; C27-V30 PolarHBondContact O-N 2.64Å; C27-L31 WeakPolarHBondContact O-CA 3.34Å; C27-L31 VanDerWaalsContact O-CB 3.23Å; C27-L31 WeakPolarHBondContact O-CB 3.22Å; C27-L31 PolarHBondContact O-N 3.21Å
28A80.9Confident74.4Confident57 Ų5781.2 Ų81.247%0.47153%0.531SS..Hα-helixtrans-67-31.6175.300000112.6M26M26-A28 VanDerWaalsContact C-N 3.3Å; M26-A28 PolarHBondContact O-N 3.4Å
29A81.4Confident71.7Confident70 Ų7085.2 Ų85.258%0.57955%0.549SS*.Hα-helixtrans-76.7-35.5175.400000112.8G25 M26 C27G25-A29 PolarHBondContact O-N 3.48Å; M26-A29 PolarHBondContact O-N 2.74Å; M26-A29 VanDerWaalsContact O-N 3.12Å; C27-A29 VanDerWaalsContact C-N 3.3Å; C27-A29 PolarHBondContact O-N 2.95Å
30V84.5Confident69.5Low89 Ų8987.9 Ų87.954%0.53957%0.573SS.*Hα-helixtrans-88.5-29.3-175.9175.90000112.7M26 C27 P32 V62M26-V30 WeakPolarHBondContact O-CB 3.32Å; M26-V30 VanDerWaalsContact O-CG2 3.29Å; M26-V30 WeakPolarHBondContact O-CG2 3.43Å; M26-V30 PolarHBondContact O-N 3.33Å; C27-V30 PolarHBondContact O-N 2.64Å; V30-P32 WeakPolarHBondContact O-CD 3.4Å; V30-V62 HydrophobicContact CG2-CG2 3.99Å
31L82.8Confident67.1Low55 Ų5594.7 Ų94.729%0.28859%0.589SS.*SBendtrans-112.971.3-178.7-60.3171.4000111.2R15 F18 C27R15-L31 HydrophobicContact CG-CB 4.42Å; F18-L31 HydrophobicContact CB-CD1 3.82Å; F18-L31 HydrophobicContact CG-CD1 4.5Å; C27-L31 WeakPolarHBondContact O-CA 3.34Å; C27-L31 VanDerWaalsContact O-CB 3.23Å; C27-L31 WeakPolarHBondContact O-CB 3.22Å; C27-L31 PolarHBondContact O-N 3.21Å
32P75.3Confident64.6Low88 Ų8899.3 Ų99.357%0.57160%0.598SS**  trans-61.8141.9176.525.6-32.9000111.3V30V30-P32 WeakPolarHBondContact O-CD 3.4Å
33D67.9Low62.2Low122 Ų122107.1 Ų107.165%0.65263%0.63SS**  trans-59.3138172.1-85.3-29.5000110.2V35D33-V35 PolarHBondContact O-N 2.94Å
34A61.4Low59.6Low76 Ų76108.3 Ų108.363%0.62863%0.631SS**SBendtrans-72.525.6-178.400000114.3R15R15-A34 VanDerWaalsContact NH1-CB 3.3Å
35V53.7Low57.3Low135 Ų135110.5 Ų110.582%0.81864%0.641SS**SBendtrans-106.193.9177.3-170.50000108.9D33D33-V35 PolarHBondContact O-N 2.94Å
36G43.1Very low55.1Low55 Ų55113.9 Ų113.957%0.56766%0.658SS**  trans83.6108.716500000113.6C38G36-C38 PolarHBondContact O-N 3.21Å
37A36.2Very low53Low109 Ų109116.5 Ų116.590%0.90168%0.682SS**  trans-59.275.3156.800000109.9K39A37-K39 PolarHBondContact O-N 3.45Å
38C36.6Very low50.9Low119 Ų119124.7 Ų124.780%0.80471%0.714SS**  trans-9689.1175.4-84.70000108.8G36 A40G36-C38 PolarHBondContact O-N 3.21Å; C38-A40 PolarHBondContact O-N 2.86Å
39K32.9Very low49Very low192 Ų192130.9 Ų130.984%0.83573%0.734SS**  trans-19.296.6157.9-63.5171.6176.5177.50113.5A37 R41A37-K39 PolarHBondContact O-N 3.45Å; K39-R41 PolarHBondContact O-N 3.18Å
40A40.2Very low46.9Very low94 Ų94135 Ų13578%0.77775%0.746SS**  trans-86.788.9163.500000108.5C38 Y42C38-A40 PolarHBondContact O-N 2.86Å; A40-Y42 PolarHBondContact O-N 2.87Å
41R34.3Very low44.7Very low228 Ų228137.1 Ų137.186%0.8676%0.759SS**  trans-52.1119.9173-71.1175.3-177.6155.5-0.1110K39K39-R41 PolarHBondContact O-N 3.18Å
42Y38Very low42.4Very low187 Ų187143.7 Ų143.773%0.73379%0.789SS**  trans-62.6138.7160.1-93.2-106.8000109.2A40 Q44A40-Y42 PolarHBondContact O-N 2.87Å; Y42-Q44 PolarHBondContact O-N 2.83Å
43F37.4Very low40.7Very low205 Ų205145.8 Ų145.890%0.89980%0.799SS**  trans-51.2108.2171.4-105.1-103.5000110.1
44Q33.2Very low39.3Very low190 Ų190144 Ų14489%0.88880%0.802SS**  trans-81.6120.9160.4-80.6176.1-23.300108.2Y42Y42-Q44 PolarHBondContact O-N 2.83Å
45T36.5Very low38.2Very low120 Ų120150 Ų15074%0.73682%0.817SS**  trans-124.3104.7150.749.90000107.4
46S36.8Very low37.7Very low111 Ų111152 Ų15278%0.77682%0.817SS**  trans19.7121.714956.90000116.9
47S36.5Very low37.6Very low115 Ų115158.7 Ų158.780%0.80483%0.833SS**  -166.5136.262.547.70000112.6
48K39.5Very low37.9Very low201 Ų201161.2 Ų161.287%0.87483%0.832SS**  trans-16.7129.8162.4-60.6169.6175.2179.20117.2
49E40.5Very low38.4Very low188 Ų188160.1 Ų160.188%0.87983%0.825SS**  -174.6142103.1-95.5175.6-168.200110
50D37.1Very low39.3Very low157 Ų157156.8 Ų156.884%0.8482%0.823SS**  trans-77.9135.3-161.3-54.9-59.4000113.1
51T38.4Very low39.8Very low133 Ų133159.1 Ų159.182%0.81682%0.823SS**  trans-154117.3147.3-52.80000108.8V53T51-V53 PolarHBondContact O-N 2.93Å
52E36Very low40.4Very low193 Ų193151.3 Ų151.390%0.90280%0.8SS**  trans-59.1115.9177.9-61173.5157.200111.4
53V38.8Very low41Very low131 Ų131146.9 Ų146.979%0.79480%0.796SS**  trans-138.7117.7161.1-174.30000108.1T51T51-V53 PolarHBondContact O-N 2.93Å
54A39.1Very low41.7Very low85 Ų85143.6 Ų143.670%0.70279%0.787SS**  trans-6.4119.2171.200000116.9E56A54-E56 VanDerWaalsContact C-N 3.31Å; A54-E56 PolarHBondContact O-N 3.37Å
55E37.5Very low42.2Very low202 Ų202144 Ų14494%0.94478%0.78SS**  trans-66.189.7161.9-64-170.516000108.8
56E42.9Very low42.7Very low177 Ų177149.9 Ų149.983%0.82779%0.789SS**  trans-74.9125.2159.4-78.8-171.2159.500108.3A54 D58A54-E56 VanDerWaalsContact C-N 3.31Å; A54-E56 PolarHBondContact O-N 3.37Å; E56-D58 PolarHBondContact O-N 3.46Å
57E41.1Very low43Very low195 Ų195147.6 Ų147.691%0.91178%0.783SS**  trans-55.7104.4-177.5-61.6-170149.800111.3S59E57-S59 PolarHBondContact O-N 3.04Å; E57-S59 VanDerWaalsContact O-N 3.1Å
58D43.8Very low43.5Very low163 Ų163151 Ų15187%0.87279%0.786SS**  trans-63.8109.2176.8-128.8-3.8000108.9E56E56-D58 PolarHBondContact O-N 3.46Å
59S47.2Very low44.2Very low95 Ų95152.7 Ų152.766%0.66479%0.787SS**  trans-55.5138.6167.7-82.60000109.1E57 D61E57-S59 PolarHBondContact O-N 3.04Å; E57-S59 VanDerWaalsContact O-N 3.1Å; S59-D61 PolarHBondContact O-N 3.05Å
60P50Low45Very low122 Ų122155.2 Ų155.279%0.79279%0.788SS**  trans-73.378.9-179.830.4-33.6000109.8V62P60-V62 PolarHBondContact O-N 2.96Å
61D50.7Low46.3Very low144 Ų144155.4 Ų155.477%0.7778%0.777SS**  trans-61.5108.2159.5-100.7-8.1000106.2S59 C63S59-D61 PolarHBondContact O-N 3.05Å; D61-C63 PolarHBondContact O-N 3.28Å
62V48.8Very low48.2Very low63 Ų63151.9 Ų151.938%0.38276%0.758SS.*  trans-64.485.2177.9-175.40000108.2M26 V30 P60 L64M26-V62 HydrophobicContact CE-CB 3.65Å; M26-V62 HydrophobicContact CE-CG1 3.37Å; M26-V62 HydrophobicContact CE-CG2 3.93Å; M26-V62 HydrophobicContact SD-CG1 3.68Å; V30-V62 HydrophobicContact CG2-CG2 3.99Å; P60-V62 PolarHBondContact O-N 2.96Å; V62-L64 PolarHBondContact O-N 3.26Å
63C50.6Low50.4Low95 Ų95149.2 Ų149.264%0.64275%0.75SS**  trans-7188.5170.9-80.60000107.3D61 R65D61-C63 PolarHBondContact O-N 3.28Å; C63-R65 VanDerWaalsContact C-N 3.33Å; C63-R65 PolarHBondContact O-N 2.83Å
64L51.1Low52.7Low135 Ų135147.5 Ų147.571%0.70774%0.74SS**  trans-53.3100.8165-78.9165.6000108M26 V62 R66M26-L64 HydrophobicContact SD-CD1 4.29Å; M26-L64 HydrophobicContact SD-CD2 3.95Å; M26-L64 HydrophobicContact SD-CG 4.21Å; V62-L64 PolarHBondContact O-N 3.26Å; L64-R66 PolarHBondContact O-N 3.41Å
65R42.9Very low54.9Low199 Ų199146.1 Ų146.175%0.75172%0.723SS**SBendtrans-61.8101.4174.2-75.9-163.1166.2-170.1-0.9108.6C63C63-R65 VanDerWaalsContact C-N 3.33Å; C63-R65 PolarHBondContact O-N 2.83Å
66R47.8Very low57.1Low243 Ų243142.3 Ų142.392%0.91770%0.703SS**SBendtrans170.9104.8135-92.7176.7-149.3-124.99.1109L64L64-R66 PolarHBondContact O-N 3.41Å
67G43.4Very low59.3Low64 Ų64143.2 Ų143.266%0.6670%0.699SS**SBendtrans64.9115.4151.100000117.6
68H46.5Very low61.7Low187 Ų187139.3 Ų139.387%0.86668%0.684SS**  trans79.391.8172.3-4682.7000114.4R70H68-R70 PolarHBondContact O-N 3.49Å
69R53.2Low63.9Low236 Ų236134.5 Ų134.589%0.89166%0.658SS**  trans-50112155.6-85.3-177.5167.7-178.1-4.8107.1R71R69-R71 PolarHBondContact O-N 3.29Å
70R57.5Low65.9Low240 Ų240132.2 Ų132.291%0.90665%0.645SS**  trans-56.6109.5162.6-78.7-170.7172.7-156.5-0.5105.4H68 S72H68-R70 PolarHBondContact O-N 3.49Å; R70-S72 PolarHBondContact O-N 3.22Å
71R65.2Low67.9Low161 Ų161129.7 Ų129.761%0.60862%0.624SS**  trans-47.8138.1173.5-72.1-174.9-179.4-1761.8108.5R69 V75 D79R69-R71 PolarHBondContact O-N 3.29Å; R71-V75 HydrophobicContact CB-CG1 4.39Å; R71-D79 IonicContact NH1-OD2 2.61Å; R71-D79 PolarHBondContact NH1-OD2 3.22Å
72S78.7Confident69.9Low60 Ų60127.9 Ų127.942%0.4261%0.611SS.*  trans-56.1148.1178.658.40000110.4R70 T74 V75 K76R70-S72 PolarHBondContact O-N 3.22Å; S72-T74 PolarHBondContact O-N 2.61Å; S72-T74 PolarHBondContact OG-OG1 3.27Å; S72-T74 VanDerWaalsContact OG-OG1 3.05Å; S72-V75 PolarHBondContact O-N 3.49Å; S72-V75 VanDerWaalsContact OG-CG2 3.22Å; S72-V75 WeakPolarHBondContact OG-CG2 3.34Å; S72-V75 PolarHBondContact OG-N 2.99Å; S72-K76 PolarHBondContact O-N 3.41Å
73N81Confident71.8Confident137 Ų137130.9 Ų130.973%0.73362%0.621SS**Hα-helixtrans-60.1-28.7-179.7-152.5-4.4000111.4R77N73-R77 WeakPolarHBondContact O-CB 3.1Å; N73-R77 PolarHBondContact O-N 3.21Å
74T87.3Confident73.5Confident95 Ų95132.2 Ų132.258%0.58362%0.618SS**Hα-helixtrans-63.7-44172.543.90000112.8S72 R77 L78S72-T74 PolarHBondContact O-N 2.61Å; S72-T74 PolarHBondContact OG-OG1 3.27Å; S72-T74 VanDerWaalsContact OG-OG1 3.05Å; T74-R77 PolarHBondContact O-N 3.04Å; T74-L78 WeakPolarHBondContact O-CG 3.38Å; T74-L78 PolarHBondContact O-N 3.39Å
75V84.7Confident75.4Confident55 Ų55134 Ų13433%0.33362%0.615SS.*Hα-helixtrans-63.5-44.8177169.70000111R71 S72 R77 L78 D79R71-V75 HydrophobicContact CB-CG1 4.39Å; S72-V75 PolarHBondContact O-N 3.49Å; S72-V75 VanDerWaalsContact OG-CG2 3.22Å; S72-V75 WeakPolarHBondContact OG-CG2 3.34Å; S72-V75 PolarHBondContact OG-N 2.99Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 2.9Å; V75-L78 PolarHBondContact O-N 3.34Å; V75-D79 PolarHBondContact O-N 2.95Å
76K85.4Confident77.5Confident122 Ų122132.9 Ų132.953%0.5361%0.611SS.*Hα-helixtrans-60.1-40.9175.8-68.5-175.1178.1-175.60112.4S72 D79 A80S72-K76 PolarHBondContact O-N 3.41Å; K76-D79 PolarHBondContact O-N 3.23Å; K76-A80 PolarHBondContact O-N 3.07Å; K76-A80 VanDerWaalsContact O-N 3.12Å
77R88.7Confident79.2Confident197 Ų197127.7 Ų127.774%0.74360%0.601SS**Hα-helixtrans-66.5-37.4178.1-170.6174178.7166.4-0.5112N73 T74 V75 L81N73-R77 WeakPolarHBondContact O-CB 3.1Å; N73-R77 PolarHBondContact O-N 3.21Å; T74-R77 PolarHBondContact O-N 3.04Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 2.9Å; R77-L81 WeakPolarHBondContact O-CB 3.47Å; R77-L81 PolarHBondContact O-N 3.34Å; R77-L81 VanDerWaalsContact O-N 3.07Å
78L91.5Very high81Confident112 Ų112130 Ų13059%0.58660%0.598SS**Hα-helixtrans-68.1-43.5175.7-73.8172.8000112.2T74 V75 A80 L81 Q82T74-L78 WeakPolarHBondContact O-CG 3.38Å; T74-L78 PolarHBondContact O-N 3.39Å; V75-L78 PolarHBondContact O-N 3.34Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 2.95Å; L78-L81 PolarHBondContact O-N 3.38Å; L78-Q82 WeakPolarHBondContact O-CB 3.47Å; L78-Q82 PolarHBondContact O-N 2.94Å
79D88.7Confident82.7Confident63 Ų63127.3 Ų127.334%0.33759%0.594SS.*Hα-helixtrans-57.2-45.4174.8-78-17.6000110.9R71 V75 K76 L81 Q82 Q83R71-D79 IonicContact NH1-OD2 2.61Å; R71-D79 PolarHBondContact NH1-OD2 3.22Å; V75-D79 PolarHBondContact O-N 2.95Å; K76-D79 PolarHBondContact O-N 3.23Å; D79-L81 PolarHBondContact O-N 3.18Å; D79-Q82 PolarHBondContact O-N 3.47Å; D79-Q83 WeakPolarHBondContact O-CG 3.48Å; D79-Q83 PolarHBondContact O-N 3.12Å
80A90Very high84Confident47 Ų47119.6 Ų119.639%0.38859%0.587SS.*Hα-helixtrans-62.8-41.8177.100000112.8K76 L78 Q82 Q83 Q84K76-A80 PolarHBondContact O-N 3.07Å; K76-A80 VanDerWaalsContact O-N 3.12Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 2.95Å; A80-Q82 VanDerWaalsContact C-N 3.35Å; A80-Q83 PolarHBondContact O-N 3.5Å; A80-Q84 WeakPolarHBondContact O-CG 3.44Å; A80-Q84 PolarHBondContact O-N 3.21Å
81L92.4Very high85.1Confident69 Ų69112.1 Ų112.136%0.36157%0.569SS.*Hα-helixtrans-67.2-37.9178.3-150.3167.3000111R77 L78 D79 Q84 R85R77-L81 WeakPolarHBondContact O-CB 3.47Å; R77-L81 PolarHBondContact O-N 3.34Å; R77-L81 VanDerWaalsContact O-N 3.07Å; L78-L81 PolarHBondContact O-N 3.38Å; D79-L81 PolarHBondContact O-N 3.18Å; L81-Q84 PolarHBondContact O-N 3.38Å; L81-R85 HydrophobicContact CD2-CG 4.12Å; L81-R85 PolarHBondContact O-N 3.02Å
82Q91.7Very high85.8Confident105 Ų105115.4 Ų115.449%0.49158%0.581SS.*Hα-helixtrans-65.8-39.5175.5-167174.58.500111.9L78 D79 A80 R85 R86L78-Q82 WeakPolarHBondContact O-CB 3.47Å; L78-Q82 PolarHBondContact O-N 2.94Å; D79-Q82 PolarHBondContact O-N 3.47Å; A80-Q82 VanDerWaalsContact C-N 3.35Å; Q82-R85 PolarHBondContact O-N 3.41Å; Q82-R86 WeakPolarHBondContact O-CG 3.41Å; Q82-R86 PolarHBondContact O-N 3.28Å
83Q88.8Confident86Confident126 Ų126118.3 Ų118.359%0.58960%0.596SS**Hα-helixtrans-62.6-44.4172.3-72.2175.1-500111.9D79 A80 R85 R86 L87D79-Q83 WeakPolarHBondContact O-CG 3.48Å; D79-Q83 PolarHBondContact O-N 3.12Å; A80-Q83 PolarHBondContact O-N 3.5Å; Q83-R85 PolarHBondContact O-N 3.01Å; Q83-R86 PolarHBondContact O-N 2.99Å; Q83-L87 PolarHBondContact O-N 3.22Å
84Q87.9Confident86.2Confident123 Ų123117.6 Ų117.658%0.57560%0.596SS**Hα-helixtrans-60.3-42.5175.4-76.3-177.3-37.400112.5A80 L81 R86 L87 L88A80-Q84 WeakPolarHBondContact O-CG 3.44Å; A80-Q84 PolarHBondContact O-N 3.21Å; L81-Q84 PolarHBondContact O-N 3.38Å; Q84-R86 VanDerWaalsContact C-N 3.31Å; Q84-R86 PolarHBondContact O-N 3.19Å; Q84-L87 PolarHBondContact O-N 3.49Å; Q84-L88 WeakPolarHBondContact O-CG 3.4Å; Q84-L88 PolarHBondContact O-N 3.44Å; Q84-L88 VanDerWaalsContact O-N 3.08Å
85R89.1Confident86.1Confident173 Ų173120.4 Ų120.465%0.65360%0.603SS**Hα-helixtrans-59.1-40.4175.7-78.2-179.3179.9178.80.2112.3L81 Q82 Q83 L87 L88 V89L81-R85 HydrophobicContact CD2-CG 4.12Å; L81-R85 PolarHBondContact O-N 3.02Å; Q82-R85 PolarHBondContact O-N 3.41Å; Q83-R85 PolarHBondContact O-N 3.01Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 3.21Å; R85-L88 PolarHBondContact O-N 3.35Å; R85-V89 WeakPolarHBondContact O-CG2 3.24Å; R85-V89 PolarHBondContact O-N 3.08Å
86R87.4Confident86.2Confident175 Ų175128.9 Ų128.966%0.6663%0.629SS**Hα-helixtrans-62.8-40.1177.1-70.1176.9-176.4173.32.5112.2Q82 Q83 Q84 L88 V89Q82-R86 WeakPolarHBondContact O-CG 3.41Å; Q82-R86 PolarHBondContact O-N 3.28Å; Q83-R86 PolarHBondContact O-N 2.99Å; Q84-R86 VanDerWaalsContact C-N 3.31Å; Q84-R86 PolarHBondContact O-N 3.19Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-V89 PolarHBondContact O-N 3.41Å
87L83.2Confident86.1Confident134 Ų134130.7 Ų130.770%0.70264%0.639SS**Hα-helixtrans-64.5-38.7175.8-66.2170.7000111.9Q83 Q84 R85 V89 G90Q83-L87 PolarHBondContact O-N 3.22Å; Q84-L87 PolarHBondContact O-N 3.49Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 3.21Å; L87-V89 VanDerWaalsContact C-N 3.33Å; L87-V89 PolarHBondContact O-N 2.9Å; L87-G90 PolarHBondContact O-N 3.18Å
88L82.2Confident85.8Confident114 Ų114130.3 Ų130.360%0.59764%0.643SS**Hα-helixtrans-68.8-26.7-178.8-70.4170.2000113.8Q84 R85 R86 G90 T91Q84-L88 WeakPolarHBondContact O-CG 3.4Å; Q84-L88 PolarHBondContact O-N 3.44Å; Q84-L88 VanDerWaalsContact O-N 3.08Å; R85-L88 PolarHBondContact O-N 3.35Å; R86-L88 VanDerWaalsContact C-N 3.34Å; L88-G90 PolarHBondContact O-N 3.37Å; L88-T91 WeakPolarHBondContact CA-OG1 3.42Å; L88-T91 PolarHBondContact O-N 3.38Å; L88-T91 PolarHBondContact O-OG1 3.26Å
89V83Confident84.9Confident130 Ų130129.3 Ų129.379%0.78864%0.643SS**Hα-helixtrans-62.7-27.8177.11750000111.8R85 R86 L87R85-V89 WeakPolarHBondContact O-CG2 3.24Å; R85-V89 PolarHBondContact O-N 3.08Å; R86-V89 PolarHBondContact O-N 3.41Å; L87-V89 VanDerWaalsContact C-N 3.33Å; L87-V89 PolarHBondContact O-N 2.9Å
90G79.6Confident84.1Confident73 Ų73133.4 Ų133.475%0.75367%0.67SS**THydrogen-bonded Turntrans-84.1-12.3177.800000114.9L87 L88L87-G90 PolarHBondContact O-N 3.18Å; L88-G90 PolarHBondContact O-N 3.37Å
91T80.1Confident83.3Confident84 Ų84138.5 Ų138.552%0.51569%0.686SS.*  trans-101.1115.6-17846.30000111L88L88-T91 WeakPolarHBondContact CA-OG1 3.42Å; L88-T91 PolarHBondContact O-N 3.38Å; L88-T91 PolarHBondContact O-OG1 3.26Å
92R81.3Confident82.2Confident230 Ų230141 Ų14187%0.86871%0.706SS**  trans-86.4108.3170.6-173177.9-178.9-176.8-0.1109.5V94R92-V94 HydrophobicContact CG-CG2 4.48Å; R92-V94 PolarHBondContact O-N 3.36Å
93V82Confident81Confident120 Ų120140.4 Ų140.473%0.72771%0.711SS**  trans-79111.7171.2-178.50000108.4Q95V93-Q95 PolarHBondContact O-N 3.47Å
94V84.5Confident80.1Confident122 Ų122140.3 Ų140.374%0.73972%0.715SS**  trans-86.7107174.7-178.40000108R92R92-V94 HydrophobicContact CG-CG2 4.48Å; R92-V94 PolarHBondContact O-N 3.36Å
95Q86.7Confident79Confident155 Ų155140.1 Ų140.172%0.72472%0.724SS**  trans-80.2129.7173.4-69.3-177.7-10.900109.6V93 Q97V93-Q95 PolarHBondContact O-N 3.47Å; Q95-Q97 PolarHBondContact O-N 3.43Å
96W86.8Confident78Confident233 Ų233138.9 Ų138.988%0.88373%0.731SS**  trans-67.1122.9174.8-177-94.8000110.3
97Q83.5Confident77Confident159 Ų159133.6 Ų133.674%0.74372%0.724SS**  trans-110.5143.4173.5-65.7-175.5-0.300109.5Q95Q95-Q97 PolarHBondContact O-N 3.43Å
98K80.9Confident76.2Confident189 Ų189135.2 Ų135.282%0.82273%0.726SS**  trans-65.2136.1174.6-69-178.4-179.3178.70108.8V100K98-V100 PolarHBondContact O-N 3.33Å
99P73.4Confident75.4Confident92 Ų92134.8 Ų134.860%0.59773%0.73SS**  trans-57.1132.5176.3-19.830.3000110.5E101P99-E101 VanDerWaalsContact CB-O 3.24Å; P99-E101 WeakPolarHBondContact CB-O 3.49Å
100V71.7Confident74.5Confident149 Ų149136.2 Ų136.290%0.90373%0.732SS**SBendtrans-73.1-24.8174179.10000110.6K98K98-V100 PolarHBondContact O-N 3.33Å
101E72.4Confident73.6Confident154 Ų154137.3 Ų137.372%0.7273%0.727SS**SBendtrans-128.6142.5178.5-67174.4-179.400109.5P99P99-E101 VanDerWaalsContact CB-O 3.24Å; P99-E101 WeakPolarHBondContact CB-O 3.49Å
102P70.9Confident72.7Confident120 Ų120138 Ų13878%0.77974%0.735SS**PPolyproline II helixtrans-60.8132.1173.426.3-31.9000109.1D104P102-D104 PolarHBondContact O-N 3.28Å
103P66.1Low71.8Confident93 Ų93136.4 Ų136.460%0.60474%0.735SS**PPolyproline II helixtrans-65.2132.9-177.926.2-32.8000110.5
104D69.2Low71.2Confident124 Ų124138.3 Ų138.366%0.66374%0.736SS**PPolyproline II helixtrans-56.4127.8172.7-82.1-33000109.7P102 D106 A107P102-D104 PolarHBondContact O-N 3.28Å; D104-D106 PolarHBondContact O-N 3.34Å; D104-A107 HydrophobicContact CB-CB 4.16Å; D104-A107 WeakPolarHBondContact O-CB 3.4Å; D104-A107 PolarHBondContact O-N 3.04Å
105P65.2Low70.4Confident119 Ų119141.2 Ų141.277%0.77374%0.739SS**THydrogen-bonded Turntrans-63.8-15.2-176.124.6-32.7000113.4
106D67.3Low69.4Low148 Ų148138.8 Ų138.879%0.79173%0.73SS**THydrogen-bonded Turntrans-99-2.6178.1-67.8-25.3000113.8D104 F108D104-D106 PolarHBondContact O-N 3.34Å; D106-F108 VanDerWaalsContact C-N 3.27Å; D106-F108 PolarHBondContact O-N 3.06Å
107A67.1Low68.3Low63 Ų63134 Ų13452%0.52172%0.721SS.*SBendtrans-72.6-18-17700000114D104 P109D104-A107 HydrophobicContact CB-CB 4.16Å; D104-A107 WeakPolarHBondContact O-CB 3.4Å; D104-A107 PolarHBondContact O-N 3.04Å; A107-P109 WeakPolarHBondContact O-CD 3.4Å
108F66.1Low67.1Low168 Ų168133.5 Ų133.574%0.73772%0.717SS**SBendtrans-115.287.2175.6-70.4-82.4000109.2D106 I110D106-F108 VanDerWaalsContact C-N 3.27Å; D106-F108 PolarHBondContact O-N 3.06Å; F108-I110 PolarHBondContact O-N 2.85Å
109P65.8Low66.1Low106 Ų106135.1 Ų135.169%0.68872%0.718SS**  trans-57.2120.2173.823.5-31.7000107.9A107 C111A107-P109 WeakPolarHBondContact O-CD 3.4Å; P109-C111 VanDerWaalsContact C-N 3.33Å; P109-C111 PolarHBondContact O-N 3.04Å
110I63.9Low65.4Low159 Ų159138.5 Ų138.582%0.81573%0.731SS**  trans-61.2101.2172.6-61.4168.7000105.5F108 S112F108-I110 PolarHBondContact O-N 2.85Å; I110-S112 PolarHBondContact O-N 2.96Å
111C60Low64.9Low97 Ų97136.4 Ų136.466%0.65572%0.718SS**  trans-55.4112.6173.4-69.60000107.5P109 F113P109-C111 VanDerWaalsContact C-N 3.33Å; P109-C111 PolarHBondContact O-N 3.04Å; C111-F113 PolarHBondContact O-N 3.04Å
112S61.9Low64.7Low98 Ų98134.9 Ų134.969%0.68572%0.715SS**  trans-59.2112.7172.949.30000108.1I110 E114I110-S112 PolarHBondContact O-N 2.96Å; S112-E114 VanDerWaalsContact C-N 3.28Å; S112-E114 PolarHBondContact O-N 3.06Å
113F63Low64.9Low197 Ų197131.4 Ų131.486%0.86469%0.693SS**  trans-70.186.7175.4-59.3-83.7000109.1C111 K115C111-F113 PolarHBondContact O-N 3.04Å; F113-K115 PolarHBondContact O-N 3.35Å
114E68.9Low65.6Low159 Ų159132.5 Ų132.574%0.74370%0.699SS**  trans-72106.7164.6-71.3-171.2171.500108.1S112 I116S112-E114 VanDerWaalsContact C-N 3.28Å; S112-E114 PolarHBondContact O-N 3.06Å; E114-I116 VanDerWaalsContact C-N 3.28Å; E114-I116 PolarHBondContact O-N 3.47Å
115K67.1Low66Low184 Ų184131 Ų13180%0.869%0.694SS**  trans-7388.3172.9-165.8177.8-175.7179.20108.4F113 N117F113-K115 PolarHBondContact O-N 3.35Å; K115-N117 PolarHBondContact O-N 2.69Å; K115-N117 VanDerWaalsContact O-N 3.16Å
116I66.5Low66.5Low104 Ų104127.5 Ų127.553%0.53367%0.673SS.*  trans-67.1111.8171.7-55.5171.7000107.2E114 F118E114-I116 VanDerWaalsContact C-N 3.28Å; E114-I116 PolarHBondContact O-N 3.47Å; I116-F118 HydrophobicContact CB-CD2 4.42Å; I116-F118 HydrophobicContact CB-CE1 4.22Å; I116-F118 HydrophobicContact CB-CE2 3.87Å; I116-F118 HydrophobicContact CB-CZ 3.76Å; I116-F118 HydrophobicContact CD1-CZ 4.12Å; I116-F118 HydrophobicContact CG2-CD1 3.91Å; I116-F118 HydrophobicContact CG2-CD2 4.36Å; I116-F118 HydrophobicContact CG2-CE1 3.6Å; I116-F118 HydrophobicContact CG2-CE2 4.08Å; I116-F118 HydrophobicContact CG2-CG 4.29Å; I116-F118 HydrophobicContact CG2-CZ 3.69Å; I116-F118 VanDerWaalsContact O-CD2 3.3Å; I116-F118 WeakPolarHBondContact O-CD2 3.5Å; I116-F118 PolarHBondContact O-N 3.28Å
117N63.5Low66.9Low133 Ų133125.3 Ų125.371%0.71166%0.657SS**  trans-73.792.3170.9-75.6-38.8000108.1K115 R119K115-N117 PolarHBondContact O-N 2.69Å; K115-N117 VanDerWaalsContact O-N 3.16Å; N117-R119 PolarHBondContact O-N 3.06Å
118F58.9Low67.3Low147 Ų147128.2 Ų128.265%0.64566%0.661SS**  trans-70.793.5170.3-58.1-77.3000109I116 V121I116-F118 HydrophobicContact CB-CD2 4.42Å; I116-F118 HydrophobicContact CB-CE1 4.22Å; I116-F118 HydrophobicContact CB-CE2 3.87Å; I116-F118 HydrophobicContact CB-CZ 3.76Å; I116-F118 HydrophobicContact CD1-CZ 4.12Å; I116-F118 HydrophobicContact CG2-CD1 3.91Å; I116-F118 HydrophobicContact CG2-CD2 4.36Å; I116-F118 HydrophobicContact CG2-CE1 3.6Å; I116-F118 HydrophobicContact CG2-CE2 4.08Å; I116-F118 HydrophobicContact CG2-CG 4.29Å; I116-F118 HydrophobicContact CG2-CZ 3.69Å; I116-F118 VanDerWaalsContact O-CD2 3.3Å; I116-F118 WeakPolarHBondContact O-CD2 3.5Å; I116-F118 PolarHBondContact O-N 3.28Å; F118-V121 HydrophobicContact CB-CG2 4.38Å; F118-V121 HydrophobicContact CD1-CG2 3.85Å
119R58.4Low67.8Low223 Ų223124.9 Ų124.984%0.84265%0.65SS**SBendtrans-97124.7155-66.5-177.7-179.3-1790.2105.2N117N117-R119 PolarHBondContact O-N 3.06Å
120D59Low67.9Low163 Ų163124.2 Ų124.287%0.87264%0.641SS**SBendtrans75.250.7175.3-54-25.8000118.2
121V62.4Low68.1Low105 Ų105122 Ų12264%0.63663%0.63SS**  trans-111.7111.6159.6-1740000108.6F118 S123F118-V121 HydrophobicContact CB-CG2 4.38Å; F118-V121 HydrophobicContact CD1-CG2 3.85Å; V121-S123 PolarHBondContact O-N 3.22Å; V121-S123 VanDerWaalsContact O-N 3.15Å
122D67.1Low68.1Low123 Ų123122.6 Ų122.666%0.65863%0.627SS**  trans-56118.3170.1-74.9-32.5000108.8
123S76.3Confident67.8Low46 Ų46124.5 Ų124.532%0.32263%0.625SS.*  trans-67.7147.3-177.876.40000110.2V121 T125 S126 H127V121-S123 PolarHBondContact O-N 3.22Å; V121-S123 VanDerWaalsContact O-N 3.15Å; S123-T125 WeakPolarHBondContact CB-OG1 3.49Å; S123-T125 PolarHBondContact O-N 3.47Å; S123-T125 VanDerWaalsContact O-N 3.13Å; S123-T125 PolarHBondContact OG-OG1 2.88Å; S123-S126 WeakPolarHBondContact O-CA 3.49Å; S123-S126 VanDerWaalsContact O-CB 3.26Å; S123-S126 WeakPolarHBondContact O-CB 3.36Å; S123-S126 PolarHBondContact O-N 3.24Å; S123-S126 PolarHBondContact OG-N 2.87Å; S123-S126 PolarHBondContact OG-OG 2.91Å; S123-H127 PolarHBondContact O-N 3.34Å; S123-H127 VanDerWaalsContact O-N 3.11Å
124T80.3Confident67.1Low117 Ų117122.3 Ų122.372%0.71862%0.617SS**Hα-helixtrans-53.6-34.7172.2-19.30000111H127 M128T124-H127 PolarHBondContact O-N 3.16Å; T124-M128 WeakPolarHBondContact O-CG 3.46Å; T124-M128 PolarHBondContact O-N 2.93Å
125T76.9Confident66.5Low91 Ų91122.1 Ų122.156%0.55861%0.611SS**Hα-helixtrans-61.2-40170.416.20000113.7S123 M128 I129S123-T125 WeakPolarHBondContact CB-OG1 3.49Å; S123-T125 PolarHBondContact O-N 3.47Å; S123-T125 VanDerWaalsContact O-N 3.13Å; S123-T125 PolarHBondContact OG-OG1 2.88Å; T125-M128 PolarHBondContact O-N 2.85Å; T125-I129 WeakPolarHBondContact O-CD1 3.17Å; T125-I129 VanDerWaalsContact O-CG1 3.25Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 2.88Å
126S76.1Confident66Low47 Ų47122.1 Ų122.133%0.32961%0.611SS.*Hα-helixtrans-63.9-43175.6-56.90000110.8S123 I129 L130S123-S126 WeakPolarHBondContact O-CA 3.49Å; S123-S126 VanDerWaalsContact O-CB 3.26Å; S123-S126 WeakPolarHBondContact O-CB 3.36Å; S123-S126 PolarHBondContact O-N 3.24Å; S123-S126 PolarHBondContact OG-N 2.87Å; S123-S126 PolarHBondContact OG-OG 2.91Å; S126-I129 PolarHBondContact O-N 3.06Å; S126-L130 WeakPolarHBondContact O-CG 3.18Å; S126-L130 PolarHBondContact O-N 2.79Å
127H74.9Confident66Low102 Ų102123.3 Ų123.347%0.47262%0.623SS.*Hα-helixtrans-61.3-45.3173.7-82.3-75.7000112.1S123 T124 I129 L130 D131S123-H127 PolarHBondContact O-N 3.34Å; S123-H127 VanDerWaalsContact O-N 3.11Å; T124-H127 PolarHBondContact O-N 3.16Å; H127-I129 VanDerWaalsContact C-N 3.34Å; H127-I129 PolarHBondContact O-N 2.96Å; H127-L130 PolarHBondContact O-N 3.12Å; H127-D131 WeakPolarHBondContact O-CB 3.45Å; H127-D131 PolarHBondContact O-N 3.07Å
128M76.2Confident66.4Low123 Ų123118.5 Ų118.561%0.60660%0.597SS**Hα-helixtrans-62.5-39177.6-69.7-179.37700112.7T124 T125 D132T124-M128 WeakPolarHBondContact O-CG 3.46Å; T124-M128 PolarHBondContact O-N 2.93Å; T125-M128 PolarHBondContact O-N 2.85Å; M128-D132 WeakPolarHBondContact O-CB 3.48Å; M128-D132 PolarHBondContact O-N 2.68Å
129I76.3Confident67.4Low98 Ų98118.4 Ų118.450%0.50360%0.602SS.*Hα-helixtrans-67-39.3176.5-67.9164.4000111T125 S126 H127 D132 Q133T125-I129 WeakPolarHBondContact O-CD1 3.17Å; T125-I129 VanDerWaalsContact O-CG1 3.25Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 2.88Å; S126-I129 PolarHBondContact O-N 3.06Å; H127-I129 VanDerWaalsContact C-N 3.34Å; H127-I129 PolarHBondContact O-N 2.96Å; I129-D132 PolarHBondContact O-N 3.35Å; I129-Q133 VanDerWaalsContact O-CG 3.27Å; I129-Q133 WeakPolarHBondContact O-CG 3.36Å; I129-Q133 PolarHBondContact O-N 3.33Å
130L68.9Low68.6Low93 Ų93108.4 Ų108.449%0.48757%0.565SS.*Hα-helixtrans-69.8-39.6177.7-72.7169.3000111.8S126 H127 D132 Q133 H134S126-L130 WeakPolarHBondContact O-CG 3.18Å; S126-L130 PolarHBondContact O-N 2.79Å; H127-L130 PolarHBondContact O-N 3.12Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-Q133 WeakPolarHBondContact O-CB 3.42Å; L130-Q133 PolarHBondContact O-N 3.48Å; L130-Q133 VanDerWaalsContact O-N 3.14Å; L130-H134 PolarHBondContact O-CD2 2.97Å; L130-H134 PolarHBondContact O-N 3.24Å
131D66.4Low69.8Low111 Ų111107.4 Ų107.459%0.59455%0.553SS**Hα-helixtrans-62.5-40.6173.1-81.5-12.1000111.5H127 Q133 H134H127-D131 WeakPolarHBondContact O-CB 3.45Å; H127-D131 PolarHBondContact O-N 3.07Å; D131-Q133 VanDerWaalsContact C-N 3.31Å; D131-Q133 PolarHBondContact O-N 3.28Å; D131-H134 WeakPolarHBondContact O-CB 3.46Å; D131-H134 PolarHBondContact O-N 3.17Å
132D61.9Low71Confident111 Ų111109.1 Ų109.159%0.59455%0.554SS**Hα-helixtrans-69.6-27.3173.4-86.5-17.3000112.8M128 I129 L130 H134 Y135M128-D132 WeakPolarHBondContact O-CB 3.48Å; M128-D132 PolarHBondContact O-N 2.68Å; I129-D132 PolarHBondContact O-N 3.35Å; L130-D132 VanDerWaalsContact C-N 3.34Å; D132-H134 PolarHBondContact O-N 3.13Å; D132-Y135 WeakPolarHBondContact O-CD2 3.47Å; D132-Y135 PolarHBondContact O-N 3.48Å
133Q54.5Low72Confident138 Ų138105 Ų10565%0.64553%0.529SS*.Hα-helixtrans-71.5-13.9173.6-77.7-177.819.900113.1I129 L130 D131 Y135I129-Q133 VanDerWaalsContact O-CG 3.27Å; I129-Q133 WeakPolarHBondContact O-CG 3.36Å; I129-Q133 PolarHBondContact O-N 3.33Å; L130-Q133 WeakPolarHBondContact O-CB 3.42Å; L130-Q133 PolarHBondContact O-N 3.48Å; L130-Q133 VanDerWaalsContact O-N 3.14Å; D131-Q133 VanDerWaalsContact C-N 3.31Å; D131-Q133 PolarHBondContact O-N 3.28Å; Q133-Y135 PolarHBondContact O-N 2.88Å
134H48.9Very low72.6Confident150 Ų150105.9 Ų105.969%0.69453%0.53SS*.THydrogen-bonded Turntrans-75.85.9173.3-75.9-64.6000114.6L130 D131 D132 K136L130-H134 PolarHBondContact O-CD2 2.97Å; L130-H134 PolarHBondContact O-N 3.24Å; D131-H134 WeakPolarHBondContact O-CB 3.46Å; D131-H134 PolarHBondContact O-N 3.17Å; D132-H134 PolarHBondContact O-N 3.13Å; H134-K136 PolarHBondContact O-N 2.84Å
135Y54.8Low72.9Confident155 Ų155107.5 Ų107.561%0.60853%0.527SS*.SBendtrans-62.399.5162.1-90-87.2000109.6D132 Q133 V137D132-Y135 WeakPolarHBondContact O-CD2 3.47Å; D132-Y135 PolarHBondContact O-N 3.48Å; Q133-Y135 PolarHBondContact O-N 2.88Å; Y135-V137 PolarHBondContact O-N 2.79Å; Y135-V137 VanDerWaalsContact O-N 3.17Å
136K58.6Low73.4Confident185 Ų185105.4 Ų105.480%0.80451%0.51SS*.  trans-36.2124.3168.1-71.7175.8179.8172.10108.5H134 N138H134-K136 PolarHBondContact O-N 2.84Å; K136-N138 PolarHBondContact O-N 2.85Å; K136-N138 PolarHBondContact O-OD1 2.91Å
137V65.6Low74Confident129 Ų129104.5 Ų104.578%0.78250%0.502SS*.  trans-52.6101.8179.4179.20000108.5Y135 L139Y135-V137 PolarHBondContact O-N 2.79Å; Y135-V137 VanDerWaalsContact O-N 3.17Å; V137-L139 PolarHBondContact O-N 2.88Å
138N73Confident74.6Confident31 Ų31101.2 Ų101.217%0.16649%0.487CS..  trans-61.6124.4-178.3-77.6-17.2000108.5K136 F140 K141 Y195K136-N138 PolarHBondContact O-N 2.85Å; K136-N138 PolarHBondContact O-OD1 2.91Å; N138-F140 PolarHBondContact O-N 2.98Å; N138-K141 WeakPolarHBondContact O-CB 3.43Å; N138-K141 PolarHBondContact O-N 3.18Å; N138-Y195 HydrophobicContact CB-CD2 4.05Å; N138-Y195 HydrophobicContact CB-CE2 4.01Å
139L78.9Confident74.9Confident146 Ų14698 Ų9876%0.76448%0.476SS*.THydrogen-bonded Turntrans-54.6-24.9178.9-70.2162000112.5V137V137-L139 PolarHBondContact O-N 2.88Å
140F82.9Confident75Confident12 Ų12102.7 Ų102.75%0.05349%0.493CS..THydrogen-bonded Turntrans-98.512.8-176.1-52.8-70.2000114.1N138 E142 Y143 C194 Y195 T198 L206 V210N138-F140 PolarHBondContact O-N 2.98Å; F140-E142 PolarHBondContact O-N 2.77Å; F140-Y143 HydrophobicContact CB-CD2 4.04Å; F140-Y143 HydrophobicContact CD1-CD2 4.33Å; F140-Y143 HydrophobicContact CD1-CE2 4.16Å; F140-Y143 WeakPolarHBondContact O-CD2 3.34Å; F140-Y143 PolarHBondContact O-N 2.91Å; F140-C194 HydrophobicContact CD1-CB 3.89Å; F140-C194 HydrophobicContact CD2-CB 3.75Å; F140-C194 HydrophobicContact CE1-CB 4Å; F140-C194 HydrophobicContact CE2-CB 3.86Å; F140-C194 HydrophobicContact CG-CB 3.77Å; F140-C194 HydrophobicContact CZ-CB 3.98Å; F140-Y195 HydrophobicContact CB-CD2 4.47Å; F140-T198 HydrophobicContact CD2-CG2 3.92Å; F140-T198 HydrophobicContact CE2-CG2 3.97Å; F140-L206 HydrophobicContact CE2-CB 4.3Å; F140-L206 HydrophobicContact CE2-CD1 4.32Å; F140-V210 HydrophobicContact CD1-CG2 3.84Å; F140-V210 HydrophobicContact CE1-CG2 3.65Å
141K85.1Confident75.6Confident142 Ų142101.7 Ų101.762%0.61750%0.495SS*.G310 helixtrans-55.5-28.1-178.5-174.1175.8179.9177.30113.4N138 Y143 L144N138-K141 WeakPolarHBondContact O-CB 3.43Å; N138-K141 PolarHBondContact O-N 3.18Å; K141-Y143 PolarHBondContact O-N 3.17Å; K141-L144 WeakPolarHBondContact O-CB 3.48Å; K141-L144 PolarHBondContact O-N 2.62Å
142E87.2Confident76.2Confident142 Ų142101 Ų10166%0.66450%0.496SS*.G310 helixtrans-62-25.2178.3-62-174.6176.700114.1F140 K145F140-E142 PolarHBondContact O-N 2.77Å; E142-K145 VanDerWaalsContact O-CD 3.28Å; E142-K145 WeakPolarHBondContact O-CD 3.31Å; E142-K145 VanDerWaalsContact O-CE 3.27Å; E142-K145 WeakPolarHBondContact O-CE 3.49Å; E142-K145 WeakPolarHBondContact O-CG 3.2Å
143Y88.9Confident77.3Confident36 Ų36100.7 Ų100.714%0.14149%0.491CS..G310 helixtrans-83.4-14.1-178.5-62.5-79.3000113.1F140 K141 K145 F146 G191 V210F140-Y143 HydrophobicContact CB-CD2 4.04Å; F140-Y143 HydrophobicContact CD1-CD2 4.33Å; F140-Y143 HydrophobicContact CD1-CE2 4.16Å; F140-Y143 WeakPolarHBondContact O-CD2 3.34Å; F140-Y143 PolarHBondContact O-N 2.91Å; K141-Y143 PolarHBondContact O-N 3.17Å; Y143-K145 PolarHBondContact O-N 2.87Å; Y143-K145 VanDerWaalsContact O-N 3.12Å; Y143-F146 HydrophobicContact CD1-CD2 4.36Å; Y143-F146 HydrophobicContact CD1-CE2 4.24Å; Y143-F146 WeakPolarHBondContact O-CD2 3.42Å; Y143-F146 PolarHBondContact O-N 3.43Å; Y143-G191 VanDerWaalsContact CB-C 3.5Å; Y143-G191 VanDerWaalsContact CG-C 3.49Å; Y143-V210 HydrophobicContact CE2-CG2 3.81Å
144L87.5Confident78.5Confident64 Ų64100 Ų10034%0.33550%0.498SS..G310 helixtrans-60-25.1178.1-174.161.9000112.8K141 F146 D147 Y195K141-L144 WeakPolarHBondContact O-CB 3.48Å; K141-L144 PolarHBondContact O-N 2.62Å; L144-F146 PolarHBondContact O-N 3.35Å; L144-F146 VanDerWaalsContact O-N 3.11Å; L144-D147 HydrophobicContact CD1-CB 4.1Å; L144-D147 WeakPolarHBondContact O-CB 3.37Å; L144-D147 PolarHBondContact O-N 3.02Å; L144-Y195 HydrophobicContact CD1-CD1 4.19Å; L144-Y195 HydrophobicContact CD1-CE1 3.68Å; L144-Y195 HydrophobicContact CD2-CE1 4.48Å; L144-Y195 HydrophobicContact CG-CE1 4.49Å
145K87.5Confident80.1Confident151 Ų15195.4 Ų95.466%0.65748%0.482SS*.G310 helixtrans-61.6-17.7176.271.2-168.4174.2-171.20114.2E142 Y143E142-K145 VanDerWaalsContact O-CD 3.28Å; E142-K145 WeakPolarHBondContact O-CD 3.31Å; E142-K145 VanDerWaalsContact O-CE 3.27Å; E142-K145 WeakPolarHBondContact O-CE 3.49Å; E142-K145 WeakPolarHBondContact O-CG 3.2Å; Y143-K145 PolarHBondContact O-N 2.87Å; Y143-K145 VanDerWaalsContact O-N 3.12Å
146F86.9Confident81.6Confident47 Ų4789.3 Ų89.321%0.20646%0.463CS..G310 helixtrans-97.1-5.8179.4-57-66.7000113Y143 L144 E148 V180 D188Y143-F146 HydrophobicContact CD1-CD2 4.36Å; Y143-F146 HydrophobicContact CD1-CE2 4.24Å; Y143-F146 WeakPolarHBondContact O-CD2 3.42Å; Y143-F146 PolarHBondContact O-N 3.43Å; L144-F146 PolarHBondContact O-N 3.35Å; L144-F146 VanDerWaalsContact O-N 3.11Å; F146-E148 PolarHBondContact O-N 2.97Å; F146-V180 HydrophobicContact CB-CG1 4.28Å; F146-D188 HydrophobicContact CD2-CB 3.76Å; F146-D188 HydrophobicContact CE2-CB 3.67Å; F146-D188 HydrophobicContact CG-CB 4.23Å; F146-D188 HydrophobicContact CZ-CB 4.08Å
147D88.4Confident82.9Confident28 Ų2882.8 Ų82.815%0.1543%0.433CS..BIsolated β-bridgetrans-73.4119.8175.6-171.713.7000109.9L144 S149 L192L144-D147 HydrophobicContact CD1-CB 4.1Å; L144-D147 WeakPolarHBondContact O-CB 3.37Å; L144-D147 PolarHBondContact O-N 3.02Å; D147-S149 WeakPolarHBondContact OD1-CB 3.3Å; D147-S149 PolarHBondContact OD1-N 2.95Å; D147-S149 PolarHBondContact OD1-OG 3.37Å; D147-S149 PolarHBondContact OD2-OG 3.43Å; D147-L192 HydrophobicContact CB-CD1 3.9Å; D147-L192 HydrophobicContact CB-CD2 4.03Å
148E87.6Confident84Confident34 Ų3479.3 Ų79.316%0.15941%0.414CS..  trans-109.415.7177.1-68.7179.7168.300111.1F146 F150 S151 P152 S156 T179 S181F146-E148 PolarHBondContact O-N 2.97Å; E148-F150 PolarHBondContact O-N 3.25Å; E148-S151 CarbonylContact O-C 3.53Å; E148-S151 VanDerWaalsContact O-C 3.28Å; E148-S151 PolarHBondContact O-N 2.83Å; E148-P152 WeakPolarHBondContact O-CA 3.46Å; E148-S156 VanDerWaalsContact OE2-CA 3.31Å; E148-S156 WeakPolarHBondContact OE2-CA 3.44Å; E148-S156 WeakPolarHBondContact OE2-CB 3.45Å; E148-S156 PolarHBondContact OE2-OG 2.99Å; E148-T179 HydrophobicContact CB-CG2 4.17Å; E148-T179 PolarHBondContact N-O 3.01Å; E148-S181 WeakPolarHBondContact OE1-CB 3.48Å; E148-S181 PolarHBondContact OE1-OG 3.5Å; E148-S181 WeakPolarHBondContact OE2-CA 3.35Å; E148-S181 PolarHBondContact OE2-N 3.38Å
149S82.9Confident84.8Confident55 Ų5577.9 Ų77.939%0.38541%0.407SS..SBendtrans-56.2-44.2179.261.40000113.8D147D147-S149 WeakPolarHBondContact OD1-CB 3.3Å; D147-S149 PolarHBondContact OD1-N 2.95Å; D147-S149 PolarHBondContact OD1-OG 3.37Å; D147-S149 PolarHBondContact OD2-OG 3.43Å
150F78.1Confident85.4Confident196 Ų19674.9 Ų74.986%0.8639%0.389SS*.SBendtrans-82.2-18.4-178.3-66.3-80.7000114.2E148E148-F150 PolarHBondContact O-N 3.25Å
151S82.4Confident85.9Confident73 Ų7374.3 Ų74.351%0.5139%0.386SS..SBendtrans-144.172.7-178-172.90000110E148 Q153E148-S151 CarbonylContact O-C 3.53Å; E148-S151 VanDerWaalsContact O-C 3.28Å; E148-S151 PolarHBondContact O-N 2.83Å; S151-Q153 PolarHBondContact O-N 2.92Å; S151-Q153 VanDerWaalsContact O-N 3.12Å
152P79.5Confident86.2Confident95 Ų9567.8 Ų67.862%0.61736%0.358SS*.  trans-64.9116.3-17825.3-33.3000109.9E148E148-P152 WeakPolarHBondContact O-CA 3.46Å
153Q83.3Confident86.4Confident105 Ų10561.4 Ų61.449%0.49133%0.328SS..  trans-83159171.1-65.2-62.1-44.600109.8S151 C155 S156S151-Q153 PolarHBondContact O-N 2.92Å; S151-Q153 VanDerWaalsContact O-N 3.12Å; Q153-C155 PolarHBondContact O-N 3.31Å; Q153-S156 WeakPolarHBondContact CA-OG 3.49Å; Q153-S156 PolarHBondContact N-OG 2.98Å; Q153-S156 WeakPolarHBondContact O-CB 3.14Å; Q153-S156 PolarHBondContact O-N 3.4Å; Q153-S156 PolarHBondContact O-OG 3.41Å
154P80.4Confident86.2Confident124 Ų12461.6 Ų61.681%0.80533%0.334SS*.THydrogen-bonded Turntrans-62.1-17.2174.524.9-34.9000113.5
155C82.4Confident85.9Confident53 Ų5361.7 Ų61.736%0.35833%0.333SS..THydrogen-bonded Turntrans-92.83173.6-64.70000113.2Q153 R182Q153-C155 PolarHBondContact O-N 3.31Å; C155-R182 WeakPolarHBondContact O-CB 3.25Å; C155-R182 PolarHBondContact O-N 2.95Å
156S85.7Confident85.8Confident28 Ų2854.8 Ų54.820%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-74.9151.5176.4-54.40000111.1E148 Q153E148-S156 VanDerWaalsContact OE2-CA 3.31Å; E148-S156 WeakPolarHBondContact OE2-CA 3.44Å; E148-S156 WeakPolarHBondContact OE2-CB 3.45Å; E148-S156 PolarHBondContact OE2-OG 2.99Å; Q153-S156 WeakPolarHBondContact CA-OG 3.49Å; Q153-S156 PolarHBondContact N-OG 2.98Å; Q153-S156 WeakPolarHBondContact O-CB 3.14Å; Q153-S156 PolarHBondContact O-N 3.4Å; Q153-S156 PolarHBondContact O-OG 3.41Å
157R86.4Confident85.4Confident48 Ų4858.5 Ų58.518%0.18132%0.322CS..EExtended strand (participates in β ladder)trans-132.1120.9175.2-170.1-178.1-166.6142.89.4109.7M159 T179 V180 V237 S238 F240R157-M159 HydrophobicContact CG-CG 4.12Å; R157-T179 WeakPolarHBondContact O-CA 3.34Å; R157-V180 PolarHBondContact N-O 3.45Å; R157-V180 PolarHBondContact O-N 2.85Å; R157-V237 PolarHBondContact NH1-O 3.26Å; R157-S238 PolarHBondContact NH1-O 3.16Å; R157-F240 PolarHBondContact NH1-O 3.19Å; R157-F240 VanDerWaalsContact NH2-C 3.27Å; R157-F240 PolarHBondContact NH2-O 2.92Å
158S88.8Confident85Confident55 Ų5561.2 Ų61.239%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-81.9136.5168.3179.20000109.8E177 I178S158-E177 WeakPolarHBondContact OG-CG 3.35Å; S158-E177 PolarHBondContact OG-OE1 2.47Å; S158-I178 WeakPolarHBondContact CA-O 3.39Å
159M89.5Confident84.5Confident2 Ų266.4 Ų66.41%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-138.4143.2179-51.8-171.983.700109.6R157 I178 L189 V237 F240 M245R157-M159 HydrophobicContact CG-CG 4.12Å; M159-I178 PolarHBondContact N-O 2.84Å; M159-I178 PolarHBondContact O-N 2.82Å; M159-L189 HydrophobicContact SD-CD2 4.02Å; M159-V237 HydrophobicContact SD-CG1 3.75Å; M159-F240 HydrophobicContact CE-CB 3.76Å; M159-F240 HydrophobicContact CE-CD2 3.7Å; M159-F240 HydrophobicContact CE-CG 4.06Å; M159-F240 HydrophobicContact SD-CD2 4.16Å; M159-M245 HydrophobicContact CB-CE 4.07Å; M159-M245 HydrophobicContact CE-CE 3.05Å; M159-M245 HydrophobicContact CE-CG 4.44Å; M159-M245 HydrophobicContact CE-SD 3.48Å; M159-M245 WeakPolarHBondContact CE-SD 3.22Å; M159-M245 HydrophobicContact CG-CE 4.36Å; M159-M245 HydrophobicContact SD-CE 3.46Å; M159-M245 WeakPolarHBondContact SD-CE 3.42Å
160Q92.4Very high84.3Confident82 Ų8267.1 Ų67.138%0.38337%0.366SS..EExtended strand (participates in β ladder)trans-97.4119175.9-74.9-178.6-4.100109.2P175 P243 C244 M245Q160-P175 HydrophobicContact CB-CB 3.75Å; Q160-P175 HydrophobicContact CB-CG 4.35Å; Q160-P175 HydrophobicContact CG-CB 4.16Å; Q160-P175 HydrophobicContact CG-CG 4.29Å; Q160-P243 PolarHBondContact N-O 3.14Å; Q160-C244 WeakPolarHBondContact O-CA 2.94Å; Q160-M245 PolarHBondContact O-N 2.95Å
161I92.8Very high84.3Confident0 Ų061.7 Ų61.70%034%0.343CS..EExtended strand (participates in β ladder)trans-116.7115.5-175.1-65.7161.9000110L176 I178 L189 V193 M245 M247I161-L176 PolarHBondContact N-O 3.33Å; I161-L176 WeakPolarHBondContact O-CB 3.42Å; I161-L176 PolarHBondContact O-N 3.41Å; I161-I178 HydrophobicContact CD1-CB 4.25Å; I161-I178 HydrophobicContact CD1-CD1 3.61Å; I161-I178 HydrophobicContact CD1-CG1 4.12Å; I161-L189 HydrophobicContact CD1-CD1 3.99Å; I161-L189 HydrophobicContact CD1-CD2 4.49Å; I161-L189 HydrophobicContact CD1-CG 4.34Å; I161-V193 HydrophobicContact CD1-CG2 3.67Å; I161-V193 HydrophobicContact CG2-CG1 3.99Å; I161-V193 HydrophobicContact CG2-CG2 4.24Å; I161-M245 CarbonylContact C-O 3.55Å; I161-M245 VanDerWaalsContact CA-O 3.31Å; I161-M245 WeakPolarHBondContact CA-O 3.39Å; I161-M245 HydrophobicContact CD1-CE 4.45Å; I161-M245 HydrophobicContact CG1-CE 4.19Å; I161-M247 HydrophobicContact CG2-CB 4.22Å
162F92.3Very high84.3Confident5 Ų562.3 Ų62.32%0.02233%0.334CS..EExtended strand (participates in β ladder)trans-83.5142.9173.9-67.2-83.3000111.2P164 P175 A218 E219 E220 C244 M245 A246 M247F162-P164 VanDerWaalsContact O-CD 3.25Å; F162-P164 WeakPolarHBondContact O-CD 3.2Å; F162-P175 HydrophobicContact CD1-CB 4.11Å; F162-P175 HydrophobicContact CD2-CB 4.41Å; F162-P175 HydrophobicContact CE1-CB 3.76Å; F162-P175 HydrophobicContact CE1-CG 4.03Å; F162-P175 HydrophobicContact CE2-CB 4.07Å; F162-P175 HydrophobicContact CG-CB 4.44Å; F162-P175 HydrophobicContact CZ-CB 3.75Å; F162-P175 HydrophobicContact CZ-CG 3.96Å; F162-A218 HydrophobicContact CD2-CB 4.2Å; F162-E219 WeakPolarHBondContact CE2-O 3.37Å; F162-E220 WeakPolarHBondContact CZ-O 3.48Å; F162-C244 HydrophobicContact CE2-CB 4.17Å; F162-M245 PolarHBondContact N-O 3.47Å; F162-A246 HydrophobicContact CB-CB 4.17Å; F162-A246 VanDerWaalsContact O-CA 3.3Å; F162-A246 WeakPolarHBondContact O-CA 3.42Å; F162-M247 PolarHBondContact O-N 3.02Å
163L90.5Very high84.1Confident9 Ų963.9 Ų63.95%0.04733%0.333CS..  trans-118.779-175.4-66.7172.1000109.8M165 L166 V193 Y197 F202 M247L163-M165 PolarHBondContact O-N 2.82Å; L163-M165 VanDerWaalsContact O-N 3.08Å; L163-L166 HydrophobicContact CB-CD1 3.6Å; L163-L166 HydrophobicContact CB-CG 3.87Å; L163-L166 HydrophobicContact CD1-CD1 4.23Å; L163-L166 WeakPolarHBondContact O-CG 2.96Å; L163-L166 PolarHBondContact O-N 3Å; L163-V193 HydrophobicContact CD2-CG1 3.75Å; L163-Y197 HydrophobicContact CD1-CD2 4Å; L163-Y197 HydrophobicContact CD2-CD2 4.47Å; L163-F202 HydrophobicContact CD1-CD2 4.36Å; L163-F202 HydrophobicContact CD1-CE2 4.15Å; L163-M247 HydrophobicContact CD2-CB 4.19Å; L163-M247 HydrophobicContact CD2-CE 3.71Å
164P84.7Confident84.1Confident40 Ų4063.1 Ų63.126%0.2634%0.336SS..THydrogen-bonded Turntrans-60.6-18.917928.2-40.5000113.5F162 L166 R172 I224 M247 A248F162-P164 VanDerWaalsContact O-CD 3.25Å; F162-P164 WeakPolarHBondContact O-CD 3.2Å; P164-L166 VanDerWaalsContact C-N 3.32Å; P164-L166 PolarHBondContact O-N 2.82Å; P164-R172 PolarHBondContact O-NE 3.32Å; P164-I224 HydrophobicContact CB-CD1 4.03Å; P164-I224 HydrophobicContact CG-CD1 3.69Å; P164-M247 WeakPolarHBondContact CD-O 3.31Å; P164-A248 HydrophobicContact CG-CB 4.2Å
165M82.7Confident84.5Confident65 Ų6559.1 Ų59.132%0.3231%0.31SS..THydrogen-bonded Turntrans-78.5-11.1-175.8-58.2-62.9143.500114.1L163 P204 A248 E249L163-M165 PolarHBondContact O-N 2.82Å; L163-M165 VanDerWaalsContact O-N 3.08Å; M165-P204 WeakPolarHBondContact O-CD 3.07Å; M165-A248 HydrophobicContact CE-CB 3.53Å; M165-E249 HydrophobicContact CE-CB 4.34Å; M165-E249 HydrophobicContact CE-CG 4.43Å; M165-E249 HydrophobicContact CG-CG 4.43Å; M165-E249 HydrophobicContact SD-CB 4.36Å; M165-E249 HydrophobicContact SD-CG 3.83Å
166L84.5Confident84.8Confident6 Ų658.1 Ų58.13%0.03130%0.301CS..  trans-63.5143.9178.4-70168.1000110.6L163 P164 Q171 R172 Y197 F202L163-L166 HydrophobicContact CB-CD1 3.6Å; L163-L166 HydrophobicContact CB-CG 3.87Å; L163-L166 HydrophobicContact CD1-CD1 4.23Å; L163-L166 WeakPolarHBondContact O-CG 2.96Å; L163-L166 PolarHBondContact O-N 3Å; P164-L166 VanDerWaalsContact C-N 3.32Å; P164-L166 PolarHBondContact O-N 2.82Å; L166-Q171 HydrophobicContact CD1-CB 3.92Å; L166-R172 HydrophobicContact CB-CG 4Å; L166-R172 PolarHBondContact O-NE 3.08Å; L166-R172 PolarHBondContact O-NH2 3.35Å; L166-Y197 HydrophobicContact CD2-CD2 4.29Å; L166-Y197 HydrophobicContact CD2-CE2 3.5Å; L166-Y197 VanDerWaalsContact CD2-CE2 3.5Å; L166-Y197 HydrophobicContact CG-CE2 4.21Å; L166-F202 HydrophobicContact CD2-CB 3.42Å; L166-F202 VanDerWaalsContact CD2-CB 3.42Å; L166-F202 HydrophobicContact CD2-CD1 3.77Å; L166-F202 HydrophobicContact CD2-CD2 3.88Å; L166-F202 HydrophobicContact CD2-CE1 4.49Å; L166-F202 HydrophobicContact CD2-CG 3.44Å; L166-F202 VanDerWaalsContact CD2-CG 3.44Å
167Q78.3Confident85Confident126 Ų12663.1 Ų63.159%0.58932%0.321SS*.SBendtrans-73.8-32.3173.2-72.7-177.2-10.100112.8E169 Q203Q167-E169 PolarHBondContact O-N 2.76Å; Q167-Q203 PolarHBondContact N-O 2.64Å; Q167-Q203 VanDerWaalsContact N-O 3.1Å
168D81.2Confident85.2Confident84 Ų8460.9 Ų60.945%0.44931%0.312SS..  trans-82.2114.9-176.1-168.5-13.9000111.1S170 Q171 R172D168-S170 PolarHBondContact O-N 2.69Å; D168-S170 PolarHBondContact OD1-N 3.39Å; D168-S170 VanDerWaalsContact OD1-N 3.13Å; D168-S170 PolarHBondContact OD1-OG 3.1Å; D168-S170 PolarHBondContact OD2-OG 3.46Å; D168-Q171 HydrophobicContact CB-CB 4.31Å; D168-Q171 HydrophobicContact CB-CG 4.13Å; D168-Q171 PolarHBondContact O-N 3.03Å; D168-R172 WeakPolarHBondContact O-CG 3.34Å; D168-R172 PolarHBondContact O-N 3Å
169E75.8Confident85.3Confident143 Ų14359.4 Ų59.467%0.66830%0.301SS*.Hα-helixtrans-63.3-30.5-178.8-64.1-170.4160.200112.7Q167 Q171 R172Q167-E169 PolarHBondContact O-N 2.76Å; E169-Q171 VanDerWaalsContact C-N 3.33Å; E169-Q171 PolarHBondContact O-N 3.31Å; E169-R172 PolarHBondContact O-N 2.71Å
170S78.2Confident85.4Confident71 Ų7159.4 Ų59.450%0.49730%0.301SS..Hα-helixtrans-66.4-37.1179.366.90000112D168D168-S170 PolarHBondContact O-N 2.69Å; D168-S170 PolarHBondContact OD1-N 3.39Å; D168-S170 VanDerWaalsContact OD1-N 3.13Å; D168-S170 PolarHBondContact OD1-OG 3.1Å; D168-S170 PolarHBondContact OD2-OG 3.46Å
171Q79Confident85.3Confident81 Ų8156.6 Ų56.638%0.37929%0.291SS..Hα-helixtrans-79.9-24.3178.9-62.2-69-27.200112.4L166 D168 E169 Q173 V174L166-Q171 HydrophobicContact CD1-CB 3.92Å; D168-Q171 HydrophobicContact CB-CB 4.31Å; D168-Q171 HydrophobicContact CB-CG 4.13Å; D168-Q171 PolarHBondContact O-N 3.03Å; E169-Q171 VanDerWaalsContact C-N 3.33Å; E169-Q171 PolarHBondContact O-N 3.31Å; Q171-Q173 PolarHBondContact O-N 3.45Å; Q171-V174 PolarHBondContact O-N 3.27Å
172R81.5Confident84.9Confident87 Ų8762.6 Ų62.633%0.32831%0.313SS..Hα-helixtrans-62.5-32.1177-73.6-179.2-173.3161.85.4113.1P164 L166 D168 E169 V174P164-R172 PolarHBondContact O-NE 3.32Å; L166-R172 HydrophobicContact CB-CG 4Å; L166-R172 PolarHBondContact O-NE 3.08Å; L166-R172 PolarHBondContact O-NH2 3.35Å; D168-R172 WeakPolarHBondContact O-CG 3.34Å; D168-R172 PolarHBondContact O-N 3Å; E169-R172 PolarHBondContact O-N 2.71Å; R172-V174 VanDerWaalsContact C-N 3.31Å
173Q75.4Confident84.7Confident127 Ų12769.3 Ų69.359%0.59335%0.345SS*.THydrogen-bonded Turntrans-82.3-9.9-178.2-63.6-64.3-38.400112.8Q171 P175 T221Q171-Q173 PolarHBondContact O-N 3.45Å; Q173-P175 WeakPolarHBondContact O-CD 3.21Å; Q173-T221 PolarHBondContact OE1-O 3.43Å
174V84.4Confident84.6Confident90 Ų9069.1 Ų69.155%0.54534%0.344SS..SBendtrans-98.8113.2-179.8-1780000108.8Q171 R172Q171-V174 PolarHBondContact O-N 3.27Å; R172-V174 VanDerWaalsContact C-N 3.31Å
175P88.2Confident85Confident40 Ų4072 Ų7226%0.2635%0.352SS..PPolyproline II helixtrans-69.6139.4177.426.5-30.8000110.7Q160 F162 Q173 E177Q160-P175 HydrophobicContact CB-CB 3.75Å; Q160-P175 HydrophobicContact CB-CG 4.35Å; Q160-P175 HydrophobicContact CG-CB 4.16Å; Q160-P175 HydrophobicContact CG-CG 4.29Å; F162-P175 HydrophobicContact CD1-CB 4.11Å; F162-P175 HydrophobicContact CD2-CB 4.41Å; F162-P175 HydrophobicContact CE1-CB 3.76Å; F162-P175 HydrophobicContact CE1-CG 4.03Å; F162-P175 HydrophobicContact CE2-CB 4.07Å; F162-P175 HydrophobicContact CG-CB 4.44Å; F162-P175 HydrophobicContact CZ-CB 3.75Å; F162-P175 HydrophobicContact CZ-CG 3.96Å; Q173-P175 WeakPolarHBondContact O-CD 3.21Å; P175-E177 PolarHBondContact O-N 3.49Å
176L89.1Confident85.4Confident32 Ų3268.9 Ų68.917%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-78.6117.8168.4-175.966.7000108.9I161 I178 V193 H196I161-L176 PolarHBondContact N-O 3.33Å; I161-L176 WeakPolarHBondContact O-CB 3.42Å; I161-L176 PolarHBondContact O-N 3.41Å; L176-I178 HydrophobicContact CD2-CD1 3.59Å; L176-I178 HydrophobicContact CD2-CG1 3.93Å; L176-I178 HydrophobicContact CG-CD1 4.04Å; L176-I178 HydrophobicContact CG-CG1 3.81Å; L176-V193 HydrophobicContact CD2-CG1 4.3Å; L176-H196 HydrophobicContact CD2-CB 3.65Å
177E90.1Very high85.7Confident132 Ų13273.1 Ų73.162%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-81.7118.4174.9-171.4173.2-172.300110.1S158 P175S158-E177 WeakPolarHBondContact OG-CG 3.35Å; S158-E177 PolarHBondContact OG-OE1 2.47Å; P175-E177 PolarHBondContact O-N 3.49Å
178I90.8Very high86.4Confident2 Ų268.5 Ų68.51%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-126.1128.2-179.5-52.7-175.1000108.8S158 M159 I161 L176 V180 L189 L192 V193S158-I178 WeakPolarHBondContact CA-O 3.39Å; M159-I178 PolarHBondContact N-O 2.84Å; M159-I178 PolarHBondContact O-N 2.82Å; I161-I178 HydrophobicContact CD1-CB 4.25Å; I161-I178 HydrophobicContact CD1-CD1 3.61Å; I161-I178 HydrophobicContact CD1-CG1 4.12Å; L176-I178 HydrophobicContact CD2-CD1 3.59Å; L176-I178 HydrophobicContact CD2-CG1 3.93Å; L176-I178 HydrophobicContact CG-CD1 4.04Å; L176-I178 HydrophobicContact CG-CG1 3.81Å; I178-V180 HydrophobicContact CG2-CG2 3.51Å; I178-L189 HydrophobicContact CG2-CD1 4.24Å; I178-L192 HydrophobicContact CG2-CD2 3.43Å; I178-L192 VanDerWaalsContact CG2-CD2 3.43Å; I178-L192 HydrophobicContact CG2-CG 4.03Å; I178-V193 HydrophobicContact CD1-CB 4.1Å; I178-V193 HydrophobicContact CD1-CG1 4.25Å; I178-V193 HydrophobicContact CD1-CG2 3.67Å
179T90.8Very high86.9Confident24 Ų2464.5 Ų64.515%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-106.5115.9176.6-61.50000110E148 R157E148-T179 HydrophobicContact CB-CG2 4.17Å; E148-T179 PolarHBondContact N-O 3.01Å; R157-T179 WeakPolarHBondContact O-CA 3.34Å
180V91.4Very high87.8Confident1 Ų157.9 Ų57.91%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-129.4151.5-174.8-169.60000111.3F146 R157 I178 R182 S184 L189 L192F146-V180 HydrophobicContact CB-CG1 4.28Å; R157-V180 PolarHBondContact N-O 3.45Å; R157-V180 PolarHBondContact O-N 2.85Å; I178-V180 HydrophobicContact CG2-CG2 3.51Å; V180-R182 PolarHBondContact O-N 3.23Å; V180-S184 WeakPolarHBondContact CG1-OG 3.3Å; V180-L189 HydrophobicContact CB-CD1 4.28Å; V180-L189 HydrophobicContact CG2-CD1 3.45Å; V180-L189 VanDerWaalsContact CG2-CD1 3.45Å; V180-L192 HydrophobicContact CG2-CD2 3.55Å
181S88.9Confident88.4Confident24 Ų2454.5 Ų54.517%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-58.8133.7173.6-1500000112.8E148 H183 S184E148-S181 WeakPolarHBondContact OE1-CB 3.48Å; E148-S181 PolarHBondContact OE1-OG 3.5Å; E148-S181 WeakPolarHBondContact OE2-CA 3.35Å; E148-S181 PolarHBondContact OE2-N 3.38Å; S181-H183 PolarHBondContact O-N 2.88Å; S181-S184 WeakPolarHBondContact O-CB 3.47Å; S181-S184 PolarHBondContact O-N 2.85Å; S181-S184 PolarHBondContact O-OG 3.44Å
182R85.9Confident89Confident125 Ų12550.7 Ų50.747%0.47224%0.238SC..THydrogen-bonded Turntrans-56.8-24.5177.3175.8178.1-86.4176.4-4113.8C155 V180 S238C155-R182 WeakPolarHBondContact O-CB 3.25Å; C155-R182 PolarHBondContact O-N 2.95Å; V180-R182 PolarHBondContact O-N 3.23Å; R182-S238 WeakPolarHBondContact O-CB 3.37Å; R182-S238 PolarHBondContact O-N 3.01Å; R182-S238 VanDerWaalsContact O-N 3.14Å
183H86.6Confident89.5Confident147 Ų14746.5 Ų46.568%0.68122%0.222SC*.THydrogen-bonded Turntrans-88.1-7.1180-61.6-60.3000114.5S181S181-H183 PolarHBondContact O-N 2.88Å
184S89.7Confident90.2Very high5 Ų540.5 Ų40.54%0.03519%0.194CC..SBendtrans-67.5154.6176.565.20000111.6V180 S181 S236 V237V180-S184 WeakPolarHBondContact CG1-OG 3.3Å; S181-S184 WeakPolarHBondContact O-CB 3.47Å; S181-S184 PolarHBondContact O-N 2.85Å; S181-S184 PolarHBondContact O-OG 3.44Å; S184-S236 WeakPolarHBondContact O-CA 3.3Å; S184-V237 PolarHBondContact O-N 2.95Å; S184-V237 WeakPolarHBondContact OG-CG2 3.43Å
185K91.8Very high90.5Very high99 Ų9938.3 Ų38.343%0.4318%0.177SC..BIsolated β-bridgetrans-85.1158.6174.4-64.7178.7177.5-177.90110.8R187 D188 L189 M234 E235K185-R187 PolarHBondContact O-N 3.16Å; K185-D188 WeakPolarHBondContact CB-OD2 3.34Å; K185-D188 PolarHBondContact N-OD2 3.31Å; K185-D188 WeakPolarHBondContact O-CB 3.41Å; K185-D188 PolarHBondContact O-N 3.35Å; K185-L189 PolarHBondContact O-N 3.02Å; K185-L189 VanDerWaalsContact O-N 3.11Å; K185-M234 HydrophobicContact CD-SD 4.34Å; K185-E235 CarbonylContact C-O 3.42Å; K185-E235 VanDerWaalsContact CA-O 3.28Å; K185-E235 WeakPolarHBondContact CA-O 3.45Å
186V91.3Very high90.5Very high0 Ų038.2 Ų38.20%017%0.172CC..Hα-helixtrans-56-38.6173.7-1680000111.5D188 L189 I190 L215 R231 S232 E235 F240V186-D188 VanDerWaalsContact C-N 3.27Å; V186-D188 PolarHBondContact O-N 3.27Å; V186-L189 WeakPolarHBondContact O-CB 3.38Å; V186-L189 PolarHBondContact O-N 3.19Å; V186-I190 HydrophobicContact CG1-CD1 4.06Å; V186-I190 HydrophobicContact CG1-CG1 4.37Å; V186-I190 VanDerWaalsContact O-CG1 3.3Å; V186-I190 WeakPolarHBondContact O-CG1 3.45Å; V186-I190 PolarHBondContact O-N 2.93Å; V186-L215 HydrophobicContact CG1-CB 4.08Å; V186-L215 HydrophobicContact CG1-CD2 3.71Å; V186-R231 HydrophobicContact CG1-CB 4.13Å; V186-S232 WeakPolarHBondContact CB-O 3.25Å; V186-S232 WeakPolarHBondContact CG2-O 3.22Å; V186-E235 HydrophobicContact CG2-CB 3.75Å; V186-E235 HydrophobicContact CG2-CG 4.38Å; V186-E235 WeakPolarHBondContact CG2-O 3.23Å; V186-E235 PolarHBondContact N-O 3.32Å; V186-F240 HydrophobicContact CB-CZ 4.16Å; V186-F240 HydrophobicContact CG1-CZ 3.93Å; V186-F240 HydrophobicContact CG2-CE1 4.17Å; V186-F240 HydrophobicContact CG2-CE2 3.99Å; V186-F240 HydrophobicContact CG2-CZ 3.29Å
187R91.9Very high90.5Very high95 Ų9536.8 Ų36.836%0.35817%0.165SC..Hα-helixtrans-57.7-39.7174.7-170-177.2-164.3-152.63.3112.6K185 I190 G191 V210 D211 P233K185-R187 PolarHBondContact O-N 3.16Å; R187-I190 PolarHBondContact O-N 3.38Å; R187-G191 PolarHBondContact O-N 3.36Å; R187-V210 HydrophobicContact CG-CG1 4.05Å; R187-D211 IonicContact CZ-OD1 2.65Å; R187-D211 IonicContact CZ-OD2 2.91Å; R187-D211 IonicContact NE-OD1 2.69Å; R187-D211 PolarHBondContact NE-OD1 2.94Å; R187-D211 IonicContact NH2-OD1 3.18Å; R187-D211 PolarHBondContact NH2-OD1 2.8Å; R187-D211 VanDerWaalsContact NH2-OD1 3.09Å; R187-D211 IonicContact NH2-OD2 3.62Å; R187-D211 PolarHBondContact NH2-OD2 3.46Å; R187-P233 HydrophobicContact CB-CB 4.2Å; R187-P233 WeakPolarHBondContact CB-O 3.46Å; R187-P233 PolarHBondContact N-O 3.45Å
188D92.5Very high90.3Very high30 Ų3032.3 Ų32.316%0.1615%0.147CC..Hα-helixtrans-68.8-41.2179.4-57.5-37.3000110.6F146 K185 V186 G191 L192F146-D188 HydrophobicContact CD2-CB 3.76Å; F146-D188 HydrophobicContact CE2-CB 3.67Å; F146-D188 HydrophobicContact CG-CB 4.23Å; F146-D188 HydrophobicContact CZ-CB 4.08Å; K185-D188 WeakPolarHBondContact CB-OD2 3.34Å; K185-D188 PolarHBondContact N-OD2 3.31Å; K185-D188 WeakPolarHBondContact O-CB 3.41Å; K185-D188 PolarHBondContact O-N 3.35Å; V186-D188 VanDerWaalsContact C-N 3.27Å; V186-D188 PolarHBondContact O-N 3.27Å; D188-G191 PolarHBondContact O-N 2.97Å; D188-L192 PolarHBondContact O-N 3.28Å
189L92.4Very high90Very high0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-59.5-50.6173.4176.965000111.1M159 I161 I178 V180 K185 V186 G191 L192 V193 L215 V237 F240 M245M159-L189 HydrophobicContact SD-CD2 4.02Å; I161-L189 HydrophobicContact CD1-CD1 3.99Å; I161-L189 HydrophobicContact CD1-CD2 4.49Å; I161-L189 HydrophobicContact CD1-CG 4.34Å; I178-L189 HydrophobicContact CG2-CD1 4.24Å; V180-L189 HydrophobicContact CB-CD1 4.28Å; V180-L189 HydrophobicContact CG2-CD1 3.45Å; V180-L189 VanDerWaalsContact CG2-CD1 3.45Å; K185-L189 PolarHBondContact O-N 3.02Å; K185-L189 VanDerWaalsContact O-N 3.11Å; V186-L189 WeakPolarHBondContact O-CB 3.38Å; V186-L189 PolarHBondContact O-N 3.19Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.4Å; L189-L192 PolarHBondContact O-N 3.41Å; L189-V193 VanDerWaalsContact O-CG2 3.23Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 3.15Å; L189-L215 HydrophobicContact CD2-CD2 3.79Å; L189-V237 HydrophobicContact CB-CG2 4.22Å; L189-V237 HydrophobicContact CD2-CG2 4.24Å; L189-F240 HydrophobicContact CD2-CE2 4.34Å; L189-M245 HydrophobicContact CD2-CE 3.81Å
190I93Very high89.7Confident4 Ų436.5 Ų36.52%0.02117%0.172CC..Hα-helixtrans-57-45177.5-65.2167.8000110.3V186 R187 L192 V193 C194 V210 F213 L215 M247V186-I190 HydrophobicContact CG1-CD1 4.06Å; V186-I190 HydrophobicContact CG1-CG1 4.37Å; V186-I190 VanDerWaalsContact O-CG1 3.3Å; V186-I190 WeakPolarHBondContact O-CG1 3.45Å; V186-I190 PolarHBondContact O-N 2.93Å; R187-I190 PolarHBondContact O-N 3.38Å; I190-L192 VanDerWaalsContact C-N 3.28Å; I190-L192 PolarHBondContact O-N 2.97Å; I190-V193 WeakPolarHBondContact O-CB 3.26Å; I190-V193 PolarHBondContact O-N 3.37Å; I190-C194 PolarHBondContact O-N 2.96Å; I190-C194 PolarHBondContact O-SG 3.03Å; I190-V210 HydrophobicContact CB-CG1 4.01Å; I190-V210 HydrophobicContact CG2-CG1 3.71Å; I190-F213 HydrophobicContact CG2-CB 3.72Å; I190-L215 HydrophobicContact CD1-CB 4.34Å; I190-L215 HydrophobicContact CG1-CB 4.4Å; I190-M247 HydrophobicContact CG2-SD 3.93Å
191G92Very high89.2Confident0 Ų039.1 Ų39.10%020%0.199CC..Hα-helixtrans-60-37176.300000113.3Y143 R187 D188 L189 C194 Y195Y143-G191 VanDerWaalsContact CB-C 3.5Å; Y143-G191 VanDerWaalsContact CG-C 3.49Å; R187-G191 PolarHBondContact O-N 3.36Å; D188-G191 PolarHBondContact O-N 2.97Å; L189-G191 VanDerWaalsContact C-N 3.3Å; L189-G191 PolarHBondContact O-N 3.31Å; G191-C194 PolarHBondContact O-N 2.8Å; G191-Y195 PolarHBondContact O-N 3.16Å
192L91.7Very high89Confident0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-69.7-39.9174.8-17663.4000112.1D147 I178 V180 D188 L189 I190 C194 Y195 H196D147-L192 HydrophobicContact CB-CD1 3.9Å; D147-L192 HydrophobicContact CB-CD2 4.03Å; I178-L192 HydrophobicContact CG2-CD2 3.43Å; I178-L192 VanDerWaalsContact CG2-CD2 3.43Å; I178-L192 HydrophobicContact CG2-CG 4.03Å; V180-L192 HydrophobicContact CG2-CD2 3.55Å; D188-L192 PolarHBondContact O-N 3.28Å; L189-L192 WeakPolarHBondContact O-CB 3.4Å; L189-L192 PolarHBondContact O-N 3.41Å; I190-L192 VanDerWaalsContact C-N 3.28Å; I190-L192 PolarHBondContact O-N 2.97Å; L192-C194 VanDerWaalsContact C-N 3.32Å; L192-C194 PolarHBondContact O-N 3.13Å; L192-Y195 HydrophobicContact CD1-CD1 4.48Å; L192-Y195 WeakPolarHBondContact O-CB 3.34Å; L192-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 VanDerWaalsContact O-N 3.16Å; L192-H196 PolarHBondContact O-CD2 2.8Å; L192-H196 VanDerWaalsContact O-CD2 3.28Å; L192-H196 PolarHBondContact O-N 3.11Å
193V91.8Very high88.7Confident0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-57.8-47.1171.8-1680000110.5I161 L163 L176 I178 L189 I190 Y195 H196 Y197 M247I161-V193 HydrophobicContact CD1-CG2 3.67Å; I161-V193 HydrophobicContact CG2-CG1 3.99Å; I161-V193 HydrophobicContact CG2-CG2 4.24Å; L163-V193 HydrophobicContact CD2-CG1 3.75Å; L176-V193 HydrophobicContact CD2-CG1 4.3Å; I178-V193 HydrophobicContact CD1-CB 4.1Å; I178-V193 HydrophobicContact CD1-CG1 4.25Å; I178-V193 HydrophobicContact CD1-CG2 3.67Å; L189-V193 VanDerWaalsContact O-CG2 3.23Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 3.15Å; I190-V193 WeakPolarHBondContact O-CB 3.26Å; I190-V193 PolarHBondContact O-N 3.37Å; V193-Y195 VanDerWaalsContact C-N 3.26Å; V193-Y195 PolarHBondContact O-N 3.05Å; V193-H196 PolarHBondContact O-N 2.95Å; V193-Y197 WeakPolarHBondContact O-CB 3.47Å; V193-Y197 PolarHBondContact O-N 2.84Å; V193-M247 HydrophobicContact CB-CE 4.25Å; V193-M247 HydrophobicContact CB-SD 3.74Å; V193-M247 HydrophobicContact CG1-CB 4.49Å; V193-M247 HydrophobicContact CG1-CE 3.74Å; V193-M247 HydrophobicContact CG1-SD 3.75Å; V193-M247 HydrophobicContact CG2-SD 4.32Å
194C90.6Very high88.5Confident0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-60.1-37.5177.5-68.10000111.8F140 I190 G191 L192 Y197 T198 L206F140-C194 HydrophobicContact CD1-CB 3.89Å; F140-C194 HydrophobicContact CD2-CB 3.75Å; F140-C194 HydrophobicContact CE1-CB 4Å; F140-C194 HydrophobicContact CE2-CB 3.86Å; F140-C194 HydrophobicContact CG-CB 3.77Å; F140-C194 HydrophobicContact CZ-CB 3.98Å; I190-C194 PolarHBondContact O-N 2.96Å; I190-C194 PolarHBondContact O-SG 3.03Å; G191-C194 PolarHBondContact O-N 2.8Å; L192-C194 VanDerWaalsContact C-N 3.32Å; L192-C194 PolarHBondContact O-N 3.13Å; C194-Y197 PolarHBondContact O-N 3Å; C194-T198 WeakPolarHBondContact O-CG2 3.42Å; C194-T198 PolarHBondContact O-N 2.96Å; C194-T198 PolarHBondContact O-OG1 2.8Å; C194-L206 HydrophobicContact CB-CD1 3.81Å
195Y89.9Confident88Confident45 Ų4540.3 Ų40.318%0.17622%0.219CC..Hα-helixtrans-61.5-53.8174175.1-96.8000111.9N138 F140 L144 G191 L192 V193 Y197 T198 A199N138-Y195 HydrophobicContact CB-CD2 4.05Å; N138-Y195 HydrophobicContact CB-CE2 4.01Å; F140-Y195 HydrophobicContact CB-CD2 4.47Å; L144-Y195 HydrophobicContact CD1-CD1 4.19Å; L144-Y195 HydrophobicContact CD1-CE1 3.68Å; L144-Y195 HydrophobicContact CD2-CE1 4.48Å; L144-Y195 HydrophobicContact CG-CE1 4.49Å; G191-Y195 PolarHBondContact O-N 3.16Å; L192-Y195 HydrophobicContact CD1-CD1 4.48Å; L192-Y195 WeakPolarHBondContact O-CB 3.34Å; L192-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 VanDerWaalsContact O-N 3.16Å; V193-Y195 VanDerWaalsContact C-N 3.26Å; V193-Y195 PolarHBondContact O-N 3.05Å; Y195-Y197 PolarHBondContact O-N 3.14Å; Y195-T198 PolarHBondContact O-N 2.68Å; Y195-T198 VanDerWaalsContact O-N 3.12Å; Y195-T198 PolarHBondContact O-OG1 3.07Å; Y195-A199 HydrophobicContact CE1-CB 4.44Å; Y195-A199 WeakPolarHBondContact O-CB 3.44Å; Y195-A199 PolarHBondContact O-N 3.11Å
196H88.6Confident87.6Confident37 Ų3736.7 Ų36.717%0.17120%0.204CC..Hα-helixtrans-60-37.1177.5-77.4-74.8000112L176 L192 V193 T198 A199 N200L176-H196 HydrophobicContact CD2-CB 3.65Å; L192-H196 PolarHBondContact O-CD2 2.8Å; L192-H196 VanDerWaalsContact O-CD2 3.28Å; L192-H196 PolarHBondContact O-N 3.11Å; V193-H196 PolarHBondContact O-N 2.95Å; H196-T198 VanDerWaalsContact C-N 3.35Å; H196-T198 PolarHBondContact O-N 3.06Å; H196-A199 PolarHBondContact O-N 3.06Å; H196-N200 WeakPolarHBondContact O-CB 3.5Å; H196-N200 VanDerWaalsContact O-CG 3.3Å; H196-N200 PolarHBondContact O-N 3.05Å
197Y88.6Confident86.6Confident3 Ų345.9 Ų45.91%0.01224%0.244CC..Hα-helixtrans-59.6-46.5175.6-175.7-77.4000111.8L163 L166 V193 C194 Y195 G201 F202 Q203 P204 L206L163-Y197 HydrophobicContact CD1-CD2 4Å; L163-Y197 HydrophobicContact CD2-CD2 4.47Å; L166-Y197 HydrophobicContact CD2-CD2 4.29Å; L166-Y197 HydrophobicContact CD2-CE2 3.5Å; L166-Y197 VanDerWaalsContact CD2-CE2 3.5Å; L166-Y197 HydrophobicContact CG-CE2 4.21Å; V193-Y197 WeakPolarHBondContact O-CB 3.47Å; V193-Y197 PolarHBondContact O-N 2.84Å; C194-Y197 PolarHBondContact O-N 3Å; Y195-Y197 PolarHBondContact O-N 3.14Å; Y197-G201 PolarHBondContact O-N 3.16Å; Y197-F202 HydrophobicContact CD1-CB 3.97Å; Y197-F202 HydrophobicContact CD2-CB 3.89Å; Y197-F202 AromaticContact CD2-CD2 3.67Å; Y197-F202 HydrophobicContact CD2-CD2 3.67Å; Y197-F202 HydrophobicContact CD2-CG 4.25Å; Y197-F202 HydrophobicContact CE1-CB 3.68Å; Y197-F202 WeakPolarHBondContact CE1-O 3.39Å; Y197-F202 HydrophobicContact CE2-CB 3.59Å; Y197-F202 HydrophobicContact CE2-CD2 4.11Å; Y197-F202 HydrophobicContact CE2-CG 4.27Å; Y197-F202 HydrophobicContact CG-CB 4.06Å; Y197-F202 AromaticContact CG-CD2 3.96Å; Y197-F202 HydrophobicContact CG-CD2 3.96Å; Y197-F202 VanDerWaalsContact CZ-CB 3.48Å; Y197-F202 PolarHBondContact O-N 2.79Å; Y197-Q203 PolarHBondContact OH-O 3.03Å; Y197-P204 VanDerWaalsContact CE1-O 3.22Å; Y197-P204 WeakPolarHBondContact CE1-O 3.42Å; Y197-P204 WeakPolarHBondContact OH-CD 3.33Å; Y197-P204 PolarHBondContact OH-O 2.75Å; Y197-L206 HydrophobicContact CD1-CD1 3.51Å; Y197-L206 HydrophobicContact CD1-CD2 4.02Å; Y197-L206 HydrophobicContact CD1-CG 3.47Å; Y197-L206 VanDerWaalsContact CD1-CG 3.47Å; Y197-L206 HydrophobicContact CE1-CD1 4.17Å; Y197-L206 HydrophobicContact CE1-CD2 3.83Å; Y197-L206 HydrophobicContact CE1-CG 3.62Å; Y197-L206 HydrophobicContact CG-CD1 3.82Å; Y197-L206 HydrophobicContact CG-CG 4.2Å
198T86.2Confident85.6Confident38 Ų3845.5 Ų45.523%0.23325%0.245CC..Hα-helixtrans-70.3-35.8176.954.60000113.1F140 C194 Y195 H196 G201 L206F140-T198 HydrophobicContact CD2-CG2 3.92Å; F140-T198 HydrophobicContact CE2-CG2 3.97Å; C194-T198 WeakPolarHBondContact O-CG2 3.42Å; C194-T198 PolarHBondContact O-N 2.96Å; C194-T198 PolarHBondContact O-OG1 2.8Å; Y195-T198 PolarHBondContact O-N 2.68Å; Y195-T198 VanDerWaalsContact O-N 3.12Å; Y195-T198 PolarHBondContact O-OG1 3.07Å; H196-T198 VanDerWaalsContact C-N 3.35Å; H196-T198 PolarHBondContact O-N 3.06Å; T198-G201 PolarHBondContact O-N 2.85Å; T198-L206 HydrophobicContact CG2-CD1 4.45Å
199A84.6Confident85.2Confident26 Ų2646.7 Ų46.722%0.21526%0.256CS..Hα-helixtrans-67.2-37.9179.100000112.2Y195 H196 G201Y195-A199 HydrophobicContact CE1-CB 4.44Å; Y195-A199 WeakPolarHBondContact O-CB 3.44Å; Y195-A199 PolarHBondContact O-N 3.11Å; H196-A199 PolarHBondContact O-N 3.06Å; A199-G201 PolarHBondContact O-N 2.82Å
200N85Confident84.9Confident88 Ų8847.2 Ų47.247%0.47126%0.259SS..THydrogen-bonded Turntrans-77.7-5.5176.2-67.5-13000113.3H196 F202H196-N200 WeakPolarHBondContact O-CB 3.5Å; H196-N200 VanDerWaalsContact O-CG 3.3Å; H196-N200 PolarHBondContact O-N 3.05Å; N200-F202 VanDerWaalsContact C-N 3.34Å; N200-F202 HydrophobicContact CB-CD1 4.27Å; N200-F202 HydrophobicContact CB-CD2 3.92Å; N200-F202 HydrophobicContact CB-CE1 4.01Å; N200-F202 HydrophobicContact CB-CE2 3.62Å; N200-F202 HydrophobicContact CB-CG 4.21Å; N200-F202 HydrophobicContact CB-CZ 3.67Å; N200-F202 WeakPolarHBondContact ND2-CE2 3.25Å; N200-F202 WeakPolarHBondContact ND2-CZ 3.3Å; N200-F202 PolarHBondContact O-N 3.46Å
201G80.7Confident84.5Confident55 Ų5550.7 Ų50.757%0.56728%0.278SS*.THydrogen-bonded Turntrans69.328.1178.600000114.3Y197 T198 A199Y197-G201 PolarHBondContact O-N 3.16Å; T198-G201 PolarHBondContact O-N 2.85Å; A199-G201 PolarHBondContact O-N 2.82Å
202F83.9Confident84.2Confident45 Ų4553.9 Ų53.920%0.19730%0.295CS..  trans-65.4149.3-178-69.4-41.8000113.4L163 L166 Y197 N200L163-F202 HydrophobicContact CD1-CD2 4.36Å; L163-F202 HydrophobicContact CD1-CE2 4.15Å; L166-F202 HydrophobicContact CD2-CB 3.42Å; L166-F202 VanDerWaalsContact CD2-CB 3.42Å; L166-F202 HydrophobicContact CD2-CD1 3.77Å; L166-F202 HydrophobicContact CD2-CD2 3.88Å; L166-F202 HydrophobicContact CD2-CE1 4.49Å; L166-F202 HydrophobicContact CD2-CG 3.44Å; L166-F202 VanDerWaalsContact CD2-CG 3.44Å; Y197-F202 HydrophobicContact CD1-CB 3.97Å; Y197-F202 HydrophobicContact CD2-CB 3.89Å; Y197-F202 AromaticContact CD2-CD2 3.67Å; Y197-F202 HydrophobicContact CD2-CD2 3.67Å; Y197-F202 HydrophobicContact CD2-CG 4.25Å; Y197-F202 HydrophobicContact CE1-CB 3.68Å; Y197-F202 WeakPolarHBondContact CE1-O 3.39Å; Y197-F202 HydrophobicContact CE2-CB 3.59Å; Y197-F202 HydrophobicContact CE2-CD2 4.11Å; Y197-F202 HydrophobicContact CE2-CG 4.27Å; Y197-F202 HydrophobicContact CG-CB 4.06Å; Y197-F202 AromaticContact CG-CD2 3.96Å; Y197-F202 HydrophobicContact CG-CD2 3.96Å; Y197-F202 VanDerWaalsContact CZ-CB 3.48Å; Y197-F202 PolarHBondContact O-N 2.79Å; N200-F202 VanDerWaalsContact C-N 3.34Å; N200-F202 HydrophobicContact CB-CD1 4.27Å; N200-F202 HydrophobicContact CB-CD2 3.92Å; N200-F202 HydrophobicContact CB-CE1 4.01Å; N200-F202 HydrophobicContact CB-CE2 3.62Å; N200-F202 HydrophobicContact CB-CG 4.21Å; N200-F202 HydrophobicContact CB-CZ 3.67Å; N200-F202 WeakPolarHBondContact ND2-CE2 3.25Å; N200-F202 WeakPolarHBondContact ND2-CZ 3.3Å; N200-F202 PolarHBondContact O-N 3.46Å
203Q80.2Confident84Confident130 Ų13054.3 Ų54.361%0.60730%0.297SS*.SBendtrans-110.2136.4179.1-61.1-174.611.200111.1Q167 Y197Q167-Q203 PolarHBondContact N-O 2.64Å; Q167-Q203 VanDerWaalsContact N-O 3.1Å; Y197-Q203 PolarHBondContact OH-O 3.03Å
204P82.9Confident83.9Confident56 Ų5654.6 Ų54.636%0.36430%0.3SS..SBendcis-81.91554.933.5-34.9000113.7M165 Y197 L206M165-P204 WeakPolarHBondContact O-CD 3.07Å; Y197-P204 VanDerWaalsContact CE1-O 3.22Å; Y197-P204 WeakPolarHBondContact CE1-O 3.42Å; Y197-P204 WeakPolarHBondContact OH-CD 3.33Å; Y197-P204 PolarHBondContact OH-O 2.75Å; P204-L206 PolarHBondContact O-N 3.02Å
205P79.3Confident84Confident96 Ų9654.6 Ų54.662%0.62330%0.3SS*.  trans-65.1131.9178.526.3-33.9000111.7K207P205-K207 PolarHBondContact O-N 3.06Å
206L81.4Confident84Confident22 Ų2253.6 Ų53.612%0.11530%0.296CS..  trans-68.9101177.9-54.1176.2000109.7F140 C194 Y197 T198 P204 F213F140-L206 HydrophobicContact CE2-CB 4.3Å; F140-L206 HydrophobicContact CE2-CD1 4.32Å; C194-L206 HydrophobicContact CB-CD1 3.81Å; Y197-L206 HydrophobicContact CD1-CD1 3.51Å; Y197-L206 HydrophobicContact CD1-CD2 4.02Å; Y197-L206 HydrophobicContact CD1-CG 3.47Å; Y197-L206 VanDerWaalsContact CD1-CG 3.47Å; Y197-L206 HydrophobicContact CE1-CD1 4.17Å; Y197-L206 HydrophobicContact CE1-CD2 3.83Å; Y197-L206 HydrophobicContact CE1-CG 3.62Å; Y197-L206 HydrophobicContact CG-CD1 3.82Å; Y197-L206 HydrophobicContact CG-CG 4.2Å; T198-L206 HydrophobicContact CG2-CD1 4.45Å; P204-L206 PolarHBondContact O-N 3.02Å; L206-F213 HydrophobicContact CD2-CE1 4.17Å; L206-F213 HydrophobicContact CD2-CE2 4.37Å; L206-F213 HydrophobicContact CD2-CZ 3.63Å
207K70.7Confident84.1Confident193 Ų19352.3 Ų52.384%0.83929%0.29SS*.  trans-87.2-11.7171.1-65.6-177.3-179.2178.90112.9P205P205-K207 PolarHBondContact O-N 3.06Å
208K72Confident84.2Confident87 Ų8752.6 Ų52.638%0.37829%0.293SS..SBendtrans-92.1156.9-169-70.4179.8-178170.30111.8D212 F213 E249K208-D212 HydrophobicContact CB-CB 3.92Å; K208-D212 WeakPolarHBondContact CB-OD2 3.38Å; K208-D212 HydrophobicContact CD-CB 4.17Å; K208-D212 HydrophobicContact CG-CB 4.48Å; K208-F213 HydrophobicContact CB-CE2 3.96Å; K208-F213 HydrophobicContact CB-CZ 4.2Å; K208-E249 IonicContact NZ-OE1 2.73Å; K208-E249 PolarHBondContact NZ-OE1 3.02Å; K208-E249 IonicContact NZ-OE2 3Å; K208-E249 PolarHBondContact NZ-OE2 3.25Å
209S84.2Confident84.3Confident56 Ų5656.2 Ų56.239%0.39231%0.307SS..  trans-72.3162.2176.870.10000110.8D211 D212 F213S209-D211 PolarHBondContact O-N 3.41Å; S209-D211 VanDerWaalsContact O-N 3.16Å; S209-D212 PolarHBondContact N-OD2 2.9Å; S209-D212 WeakPolarHBondContact O-CB 3.21Å; S209-D212 PolarHBondContact O-N 2.83Å; S209-D212 VanDerWaalsContact O-N 3.17Å; S209-D212 PolarHBondContact OG-OD2 2.87Å; S209-F213 WeakPolarHBondContact O-CD2 3.12Å
210V85.4Confident84.4Confident11 Ų1162.9 Ų62.97%0.06733%0.334CS..G310 helixtrans-57.9-28.8175.1-179.60000111.5F140 Y143 R187 I190 D212 F213F140-V210 HydrophobicContact CD1-CG2 3.84Å; F140-V210 HydrophobicContact CE1-CG2 3.65Å; Y143-V210 HydrophobicContact CE2-CG2 3.81Å; R187-V210 HydrophobicContact CG-CG1 4.05Å; I190-V210 HydrophobicContact CB-CG1 4.01Å; I190-V210 HydrophobicContact CG2-CG1 3.71Å; V210-D212 VanDerWaalsContact C-N 3.25Å; V210-D212 PolarHBondContact O-N 2.95Å; V210-F213 PolarHBondContact O-N 2.79Å
211D84.1Confident84.3Confident76 Ų7662 Ų6241%0.40633%0.332SS..G310 helixtrans-75.8-13.9-175.9-58.7-35.3000113.2R187 S209 F213R187-D211 IonicContact CZ-OD1 2.65Å; R187-D211 IonicContact CZ-OD2 2.91Å; R187-D211 IonicContact NE-OD1 2.69Å; R187-D211 PolarHBondContact NE-OD1 2.94Å; R187-D211 IonicContact NH2-OD1 3.18Å; R187-D211 PolarHBondContact NH2-OD1 2.8Å; R187-D211 VanDerWaalsContact NH2-OD1 3.09Å; R187-D211 IonicContact NH2-OD2 3.62Å; R187-D211 PolarHBondContact NH2-OD2 3.46Å; S209-D211 PolarHBondContact O-N 3.41Å; S209-D211 VanDerWaalsContact O-N 3.16Å; D211-F213 VanDerWaalsContact C-N 3.29Å
212D85.5Confident84.2Confident67 Ų6760.2 Ų60.236%0.35831%0.313SS..G310 helixtrans-82.5-7174.4-59.9-51.5000112.6K208 S209 V210 R250K208-D212 HydrophobicContact CB-CB 3.92Å; K208-D212 WeakPolarHBondContact CB-OD2 3.38Å; K208-D212 HydrophobicContact CD-CB 4.17Å; K208-D212 HydrophobicContact CG-CB 4.48Å; S209-D212 PolarHBondContact N-OD2 2.9Å; S209-D212 WeakPolarHBondContact O-CB 3.21Å; S209-D212 PolarHBondContact O-N 2.83Å; S209-D212 VanDerWaalsContact O-N 3.17Å; S209-D212 PolarHBondContact OG-OD2 2.87Å; V210-D212 VanDerWaalsContact C-N 3.25Å; V210-D212 PolarHBondContact O-N 2.95Å; D212-R250 WeakPolarHBondContact O-CB 3.45Å; D212-R250 PolarHBondContact O-N 3.36Å
213F88.6Confident84.3Confident9 Ų964.4 Ų64.44%0.03933%0.334CS..EExtended strand (participates in β ladder)trans-107.6146.5177.4-63.6-78.6000110.7I190 L206 K208 S209 V210 D211 M247 E249I190-F213 HydrophobicContact CG2-CB 3.72Å; L206-F213 HydrophobicContact CD2-CE1 4.17Å; L206-F213 HydrophobicContact CD2-CE2 4.37Å; L206-F213 HydrophobicContact CD2-CZ 3.63Å; K208-F213 HydrophobicContact CB-CE2 3.96Å; K208-F213 HydrophobicContact CB-CZ 4.2Å; S209-F213 WeakPolarHBondContact O-CD2 3.12Å; V210-F213 PolarHBondContact O-N 2.79Å; D211-F213 VanDerWaalsContact C-N 3.29Å; F213-M247 HydrophobicContact CB-CG 4.11Å; F213-M247 HydrophobicContact CB-SD 4.24Å; F213-M247 HydrophobicContact CD1-CE 4.38Å; F213-M247 HydrophobicContact CD1-CG 4.34Å; F213-M247 HydrophobicContact CD1-SD 4.48Å; F213-M247 HydrophobicContact CG-CG 4.49Å; F213-M247 HydrophobicContact CG-SD 4.35Å; F213-E249 HydrophobicContact CD1-CG 4.2Å; F213-E249 HydrophobicContact CE1-CG 3.73Å
214A90Very high84.7Confident7 Ų759.5 Ų59.56%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-132.3148.8176.300000110.2Y216 A230 A248 R250A214-Y216 HydrophobicContact CB-CE2 3.81Å; A214-A230 HydrophobicContact CB-CB 3.95Å; A214-A248 PolarHBondContact N-O 3.07Å; A214-A248 PolarHBondContact O-N 3.38Å; A214-A248 VanDerWaalsContact O-O 3.12Å; A214-R250 HydrophobicContact CB-CB 4.13Å; A214-R250 HydrophobicContact CB-CG 4.39Å
215L91.5Very high84.9Confident0 Ų059.9 Ų59.90%031%0.31CS..EExtended strand (participates in β ladder)trans-100.5120.6-177.9-166.968000109.2V186 L189 I190 R231 F240 M245V186-L215 HydrophobicContact CG1-CB 4.08Å; V186-L215 HydrophobicContact CG1-CD2 3.71Å; L189-L215 HydrophobicContact CD2-CD2 3.79Å; I190-L215 HydrophobicContact CD1-CB 4.34Å; I190-L215 HydrophobicContact CG1-CB 4.4Å; L215-R231 HydrophobicContact CB-CB 4.38Å; L215-R231 PolarHBondContact O-N 3.15Å; L215-F240 HydrophobicContact CD2-CE2 4.28Å; L215-F240 HydrophobicContact CD2-CZ 4.19Å; L215-M245 HydrophobicContact CD1-CB 3.96Å; L215-M245 HydrophobicContact CD1-CE 4.19Å; L215-M245 HydrophobicContact CD1-SD 4.38Å; L215-M245 HydrophobicContact CD2-CE 3.63Å; L215-M245 HydrophobicContact CD2-SD 3.49Å; L215-M245 WeakPolarHBondContact CD2-SD 3.42Å; L215-M245 HydrophobicContact CG-CB 4.24Å; L215-M245 HydrophobicContact CG-CE 4.22Å; L215-M245 HydrophobicContact CG-SD 3.88Å
216Y91.1Very high85.1Confident24 Ų2463.2 Ų63.29%0.09431%0.311CS..EExtended strand (participates in β ladder)trans-108.7157178.8-64-92.2000110.2A214 I224 Y226 A230 M245 A246 A248A214-Y216 HydrophobicContact CB-CE2 3.81Å; Y216-I224 VanDerWaalsContact CB-CG2 3.45Å; Y216-I224 HydrophobicContact CD1-CG2 4.36Å; Y216-I224 HydrophobicContact CG-CG2 3.91Å; Y216-Y226 HydrophobicContact CE1-CD1 4.5Å; Y216-A230 HydrophobicContact CD1-CB 4.05Å; Y216-A230 HydrophobicContact CE1-CB 3.62Å; Y216-A230 HydrophobicContact CE2-CB 4.4Å; Y216-M245 CarbonylContact O-C 3.53Å; Y216-M245 VanDerWaalsContact O-CA 3.3Å; Y216-M245 WeakPolarHBondContact O-CA 3.13Å; Y216-M245 WeakPolarHBondContact O-CB 3.35Å; Y216-A246 PolarHBondContact N-O 3.22Å; Y216-A246 PolarHBondContact O-N 2.86Å; Y216-A248 HydrophobicContact CD2-CB 3.86Å; Y216-A248 HydrophobicContact CE2-CB 3.83Å
217V91.1Very high85.3Confident10 Ų1065.4 Ų65.46%0.06134%0.339CS..EExtended strand (participates in β ladder)trans-75.3137.1168.9-177.60000107.6D225 L228 F242V217-D225 PolarHBondContact O-N 3.45Å; V217-L228 HydrophobicContact CB-CD1 3.99Å; V217-L228 HydrophobicContact CG1-CD1 4.23Å; V217-L228 HydrophobicContact CG2-CD1 3.9Å; V217-F242 HydrophobicContact CG1-CB 4.27Å; V217-F242 HydrophobicContact CG1-CD1 4.04Å; V217-F242 HydrophobicContact CG1-CD2 4.27Å; V217-F242 HydrophobicContact CG1-CG 3.91Å; V217-F242 HydrophobicContact CG2-CD2 3.94Å; V217-F242 HydrophobicContact CG2-CE2 4.25Å; V217-F242 HydrophobicContact CG2-CG 4.39Å
218A90.7Very high85.9Confident8 Ų859.1 Ų59.17%0.06632%0.315CS..BIsolated β-bridgetrans-126.6153.4176.700000109.9F162 E223 C244 A246F162-A218 HydrophobicContact CD2-CB 4.2Å; A218-E223 CarbonylContact C-O 3.41Å; A218-E223 WeakPolarHBondContact CA-O 3.49Å; A218-E223 WeakPolarHBondContact CB-O 3.48Å; A218-C244 PolarHBondContact N-O 3Å; A218-C244 WeakPolarHBondContact O-CB 3.34Å; A218-A246 HydrophobicContact CB-CB 3.8Å
219E88.1Confident86.5Confident115 Ų11559.8 Ų59.854%0.53733%0.328SS..  trans-74.9170.1169-63-165.2175.900111F162 T221 G222 E223F162-E219 WeakPolarHBondContact CE2-O 3.37Å; E219-T221 PolarHBondContact O-N 2.99Å; E219-T221 VanDerWaalsContact O-N 3.16Å; E219-G222 PolarHBondContact O-N 3.4Å; E219-E223 PolarHBondContact N-O 3.43Å
220E86Confident86.6Confident165 Ų16559 Ų5977%0.77132%0.324SS*.THydrogen-bonded Turntrans-63.8-16.6176.1-62.5-178.8174.100112.6F162 G222F162-E220 WeakPolarHBondContact CZ-O 3.48Å; E220-G222 VanDerWaalsContact C-N 3.34Å
221T82.6Confident86.6Confident70 Ų7061 Ų6143%0.42933%0.331SS..THydrogen-bonded Turntrans-83.2-6.1175.656.40000113.6Q173 E219 E223Q173-T221 PolarHBondContact OE1-O 3.43Å; E219-T221 PolarHBondContact O-N 2.99Å; E219-T221 VanDerWaalsContact O-N 3.16Å; T221-E223 VanDerWaalsContact C-N 3.29Å
222G80Confident86.7Confident17 Ų1760.1 Ų60.118%0.17533%0.331CS..SBendtrans81.32.7-17400000114.7E219 E220E219-G222 PolarHBondContact O-N 3.4Å; E220-G222 VanDerWaalsContact C-N 3.34Å
223E85.6Confident86.8Confident134 Ų13459.5 Ų59.563%0.62633%0.331SS*.  trans-70.8136171.5-67-171.2-179.500111.1A218 E219 T221A218-E223 CarbonylContact C-O 3.41Å; A218-E223 WeakPolarHBondContact CA-O 3.49Å; A218-E223 WeakPolarHBondContact CB-O 3.48Å; E219-E223 PolarHBondContact N-O 3.43Å; T221-E223 VanDerWaalsContact C-N 3.29Å
224I87.5Confident86.7Confident27 Ų2765.3 Ų65.314%0.13836%0.359CS..BIsolated β-bridgetrans-91.3125.2-175.4-50.9177.6000109.8P164 Y216 Y226 A246 A248P164-I224 HydrophobicContact CB-CD1 4.03Å; P164-I224 HydrophobicContact CG-CD1 3.69Å; Y216-I224 VanDerWaalsContact CB-CG2 3.45Å; Y216-I224 HydrophobicContact CD1-CG2 4.36Å; Y216-I224 HydrophobicContact CG-CG2 3.91Å; I224-Y226 HydrophobicContact CB-CD2 4.44Å; I224-Y226 HydrophobicContact CB-CE2 3.98Å; I224-Y226 HydrophobicContact CG2-CD1 4.36Å; I224-Y226 HydrophobicContact CG2-CE1 4.11Å; I224-Y226 HydrophobicContact CG2-CE2 4.28Å; I224-Y226 WeakPolarHBondContact O-CD2 3.36Å; I224-Y226 PolarHBondContact O-N 2.7Å; I224-Y226 VanDerWaalsContact O-N 3.17Å; I224-A246 HydrophobicContact CD1-CB 4.07Å; I224-A246 HydrophobicContact CG1-CB 3.76Å; I224-A248 HydrophobicContact CD1-CB 4.22Å
225D87.3Confident86.6Confident64 Ų6467.2 Ų67.234%0.34237%0.367SS..  trans-83.192.7173.9-176.52.6000110.6V217 G227 L228V217-D225 PolarHBondContact O-N 3.45Å; D225-G227 PolarHBondContact O-N 2.9Å; D225-G227 WeakPolarHBondContact OD1-CA 3.07Å; D225-G227 PolarHBondContact OD1-N 3.31Å; D225-L228 PolarHBondContact O-N 3.04Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.3Å; D225-L228 WeakPolarHBondContact OD2-CG 3.31Å
226Y84.9Confident86.5Confident165 Ų16568.6 Ų68.665%0.64738%0.376SS*.THydrogen-bonded Turntrans-71.5-7.9173.9-64.8-75.3000113.9Y216 I224 L228Y216-Y226 HydrophobicContact CE1-CD1 4.5Å; I224-Y226 HydrophobicContact CB-CD2 4.44Å; I224-Y226 HydrophobicContact CB-CE2 3.98Å; I224-Y226 HydrophobicContact CG2-CD1 4.36Å; I224-Y226 HydrophobicContact CG2-CE1 4.11Å; I224-Y226 HydrophobicContact CG2-CE2 4.28Å; I224-Y226 WeakPolarHBondContact O-CD2 3.36Å; I224-Y226 PolarHBondContact O-N 2.7Å; I224-Y226 VanDerWaalsContact O-N 3.17Å; Y226-L228 PolarHBondContact O-N 3.12Å
227G83.9Confident86.3Confident68 Ų6867.4 Ų67.470%0.70137%0.372SS*.THydrogen-bonded Turntrans-70.6-22.3173.300000112.8D225D225-G227 PolarHBondContact O-N 2.9Å; D225-G227 WeakPolarHBondContact OD1-CA 3.07Å; D225-G227 PolarHBondContact OD1-N 3.31Å
228L83.1Confident86.1Confident62 Ų6268.9 Ų68.933%0.32538%0.382SS..SBendtrans-98137.1175.1-65.4176.3000111.1V217 D225 Y226V217-L228 HydrophobicContact CB-CD1 3.99Å; V217-L228 HydrophobicContact CG1-CD1 4.23Å; V217-L228 HydrophobicContact CG2-CD1 3.9Å; D225-L228 PolarHBondContact O-N 3.04Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.3Å; D225-L228 WeakPolarHBondContact OD2-CG 3.31Å; Y226-L228 PolarHBondContact O-N 3.12Å
229P84.6Confident85.7Confident100 Ų10073.8 Ų73.865%0.64940%0.404SS*.PPolyproline II helixtrans-64.3145.8177.327.9-34.3000110.7
230A86.2Confident85.3Confident39 Ų3968.5 Ų68.532%0.32238%0.379SS..PPolyproline II helixtrans-56.1145.4172.200000111.1A214 Y216A214-A230 HydrophobicContact CB-CB 3.95Å; Y216-A230 HydrophobicContact CD1-CB 4.05Å; Y216-A230 HydrophobicContact CE1-CB 3.62Å; Y216-A230 HydrophobicContact CE2-CB 4.4Å
231R86.9Confident85Confident54 Ų5467.9 Ų67.920%0.20438%0.376CS..PPolyproline II helixtrans-67.6140.3-178.9-58.4-56.6177.1-178.9-14111V186 L215 F240V186-R231 HydrophobicContact CG1-CB 4.13Å; L215-R231 HydrophobicContact CB-CB 4.38Å; L215-R231 PolarHBondContact O-N 3.15Å; R231-F240 HydrophobicContact CB-CE1 3.89Å; R231-F240 HydrophobicContact CB-CZ 4.07Å; R231-F240 HydrophobicContact CG-CD1 4.39Å; R231-F240 HydrophobicContact CG-CE1 3.55Å; R231-F240 HydrophobicContact CG-CZ 4.05Å
232S85.9Confident85Confident57 Ų5768.8 Ų68.840%0.39937%0.374SS..PPolyproline II helixtrans-71.5137.6-178.876.30000109.7V186 M234 E235V186-S232 WeakPolarHBondContact CB-O 3.25Å; V186-S232 WeakPolarHBondContact CG2-O 3.22Å; S232-M234 PolarHBondContact O-N 3.46Å; S232-M234 VanDerWaalsContact O-N 3.07Å; S232-E235 PolarHBondContact O-N 3.01Å; S232-E235 VanDerWaalsContact O-N 3.17Å; S232-E235 VanDerWaalsContact OG-CB 3.22Å; S232-E235 WeakPolarHBondContact OG-CB 3.37Å; S232-E235 PolarHBondContact OG-N 2.85Å
233P86.9Confident85.1Confident55 Ų5571.8 Ų71.836%0.35739%0.39SS..THydrogen-bonded Turntrans-63.2-20.5-176.323.5-33.5000113.4R187R187-P233 HydrophobicContact CB-CB 4.2Å; R187-P233 WeakPolarHBondContact CB-O 3.46Å; R187-P233 PolarHBondContact N-O 3.45Å
234M86.4Confident85.3Confident131 Ų13165.7 Ų65.765%0.64536%0.362SS*.THydrogen-bonded Turntrans-93.8-10.3-177.9-66.4-63.5-167.300114.1K185 S232K185-M234 HydrophobicContact CD-SD 4.34Å; S232-M234 PolarHBondContact O-N 3.46Å; S232-M234 VanDerWaalsContact O-N 3.07Å
235E88.9Confident85.5Confident47 Ų4764.5 Ų64.522%0.2236%0.357CS..SBendtrans-66.6152.6177.5177.9174.7-169.100110.7K185 V186 S232 H239 F240K185-E235 CarbonylContact C-O 3.42Å; K185-E235 VanDerWaalsContact CA-O 3.28Å; K185-E235 WeakPolarHBondContact CA-O 3.45Å; V186-E235 HydrophobicContact CG2-CB 3.75Å; V186-E235 HydrophobicContact CG2-CG 4.38Å; V186-E235 WeakPolarHBondContact CG2-O 3.23Å; V186-E235 PolarHBondContact N-O 3.32Å; S232-E235 PolarHBondContact O-N 3.01Å; S232-E235 VanDerWaalsContact O-N 3.17Å; S232-E235 VanDerWaalsContact OG-CB 3.22Å; S232-E235 WeakPolarHBondContact OG-CB 3.37Å; S232-E235 PolarHBondContact OG-N 2.85Å; E235-H239 HydrophobicContact CG-CB 4.07Å; E235-H239 WeakPolarHBondContact OE1-CB 3.37Å; E235-F240 HydrophobicContact CG-CE1 4.48Å
236S89.2Confident85.7Confident28 Ų2861.5 Ų61.520%0.19634%0.34CS..BIsolated β-bridgetrans-89.4146176.470.20000111.2S184 S238 H239S184-S236 WeakPolarHBondContact O-CA 3.3Å; S236-S238 PolarHBondContact O-N 3.36Å; S236-S238 PolarHBondContact OG-OG 3.44Å; S236-H239 PolarHBondContact O-N 2.84Å; S236-H239 PolarHBondContact OG-CD2 3.3Å; S236-H239 PolarHBondContact OG-NE2 3.4Å
237V87.6Confident86.1Confident0 Ų053.7 Ų53.70%031%0.31CS..G310 helixtrans-58.7-19.8178174.50000112.3R157 M159 S184 L189 H239 F240R157-V237 PolarHBondContact NH1-O 3.26Å; M159-V237 HydrophobicContact SD-CG1 3.75Å; S184-V237 PolarHBondContact O-N 2.95Å; S184-V237 WeakPolarHBondContact OG-CG2 3.43Å; L189-V237 HydrophobicContact CB-CG2 4.22Å; L189-V237 HydrophobicContact CD2-CG2 4.24Å; V237-H239 VanDerWaalsContact C-N 3.29Å; V237-H239 PolarHBondContact O-N 2.77Å; V237-F240 HydrophobicContact CB-CD2 4.13Å; V237-F240 HydrophobicContact CB-CE2 4.23Å; V237-F240 HydrophobicContact CG1-CD2 3.99Å; V237-F240 HydrophobicContact CG1-CE2 4.44Å; V237-F240 HydrophobicContact CG2-CD2 4.34Å; V237-F240 HydrophobicContact CG2-CE2 3.98Å; V237-F240 WeakPolarHBondContact O-CD2 3.33Å; V237-F240 PolarHBondContact O-N 3.25Å
238S85.4Confident86.2Confident40 Ų4050.6 Ų50.628%0.2828%0.278SS..G310 helixtrans-59.8-32.9173.480.60000114.8R157 R182 S236 F240R157-S238 PolarHBondContact NH1-O 3.16Å; R182-S238 WeakPolarHBondContact O-CB 3.37Å; R182-S238 PolarHBondContact O-N 3.01Å; R182-S238 VanDerWaalsContact O-N 3.14Å; S236-S238 PolarHBondContact O-N 3.36Å; S236-S238 PolarHBondContact OG-OG 3.44Å; S238-F240 VanDerWaalsContact C-N 3.27Å; S238-F240 PolarHBondContact O-N 3.34Å
239H83Confident86.4Confident111 Ų11151.5 Ų51.551%0.51428%0.28SS..G310 helixtrans-78.5-12.9-176.8-69.5-73.5000113.4E235 S236 V237 H241E235-H239 HydrophobicContact CG-CB 4.07Å; E235-H239 WeakPolarHBondContact OE1-CB 3.37Å; S236-H239 PolarHBondContact O-N 2.84Å; S236-H239 PolarHBondContact OG-CD2 3.3Å; S236-H239 PolarHBondContact OG-NE2 3.4Å; V237-H239 VanDerWaalsContact C-N 3.29Å; V237-H239 PolarHBondContact O-N 2.77Å; H239-H241 PolarHBondContact O-CE1 3.47Å; H239-H241 PolarHBondContact O-ND1 3.3Å
240F79.4Confident86Confident4 Ų452.7 Ų52.72%0.01827%0.272CS..  trans-67.3147.1174.9-56.9-38.1000110R157 M159 V186 L189 L215 R231 E235 V237 S238 M245R157-F240 PolarHBondContact NH1-O 3.19Å; R157-F240 VanDerWaalsContact NH2-C 3.27Å; R157-F240 PolarHBondContact NH2-O 2.92Å; M159-F240 HydrophobicContact CE-CB 3.76Å; M159-F240 HydrophobicContact CE-CD2 3.7Å; M159-F240 HydrophobicContact CE-CG 4.06Å; M159-F240 HydrophobicContact SD-CD2 4.16Å; V186-F240 HydrophobicContact CB-CZ 4.16Å; V186-F240 HydrophobicContact CG1-CZ 3.93Å; V186-F240 HydrophobicContact CG2-CE1 4.17Å; V186-F240 HydrophobicContact CG2-CE2 3.99Å; V186-F240 HydrophobicContact CG2-CZ 3.29Å; L189-F240 HydrophobicContact CD2-CE2 4.34Å; L215-F240 HydrophobicContact CD2-CE2 4.28Å; L215-F240 HydrophobicContact CD2-CZ 4.19Å; R231-F240 HydrophobicContact CB-CE1 3.89Å; R231-F240 HydrophobicContact CB-CZ 4.07Å; R231-F240 HydrophobicContact CG-CD1 4.39Å; R231-F240 HydrophobicContact CG-CE1 3.55Å; R231-F240 HydrophobicContact CG-CZ 4.05Å; E235-F240 HydrophobicContact CG-CE1 4.48Å; V237-F240 HydrophobicContact CB-CD2 4.13Å; V237-F240 HydrophobicContact CB-CE2 4.23Å; V237-F240 HydrophobicContact CG1-CD2 3.99Å; V237-F240 HydrophobicContact CG1-CE2 4.44Å; V237-F240 HydrophobicContact CG2-CD2 4.34Å; V237-F240 HydrophobicContact CG2-CE2 3.98Å; V237-F240 WeakPolarHBondContact O-CD2 3.33Å; V237-F240 PolarHBondContact O-N 3.25Å; S238-F240 VanDerWaalsContact C-N 3.27Å; S238-F240 PolarHBondContact O-N 3.34Å; F240-M245 HydrophobicContact CD2-SD 4.37Å; F240-M245 HydrophobicContact CG-SD 4.5Å
241H80.1Confident84.9Confident152 Ų15253.5 Ų53.570%0.70428%0.275SS*.  trans-129.5-8.1171.7-62.484.7000111H239H239-H241 PolarHBondContact O-CE1 3.47Å; H239-H241 PolarHBondContact O-ND1 3.3Å
242F82.1Confident83.2Confident89 Ų8955 Ų5539%0.3929%0.294SS..  trans-88.8128179-54.6-75.6000109.5V217V217-F242 HydrophobicContact CG1-CB 4.27Å; V217-F242 HydrophobicContact CG1-CD1 4.04Å; V217-F242 HydrophobicContact CG1-CD2 4.27Å; V217-F242 HydrophobicContact CG1-CG 3.91Å; V217-F242 HydrophobicContact CG2-CD2 3.94Å; V217-F242 HydrophobicContact CG2-CE2 4.25Å; V217-F242 HydrophobicContact CG2-CG 4.39Å
243P82.6Confident81.3Confident80 Ų8059 Ų5952%0.51931%0.31SS..SBendtrans-75.5-30.2175.629.2-32.5000112.2Q160Q160-P243 PolarHBondContact N-O 3.14Å
244C89.6Confident79.1Confident6 Ų658.3 Ų58.34%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-103.6131-178.2-620000111.1Q160 F162 A218Q160-C244 WeakPolarHBondContact O-CA 2.94Å; F162-C244 HydrophobicContact CE2-CB 4.17Å; A218-C244 PolarHBondContact N-O 3Å; A218-C244 WeakPolarHBondContact O-CB 3.34Å
245M91.7Very high76.6Confident3 Ų355.6 Ų55.62%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-142.1164177.2-64.9-175.8-55.300109.7M159 Q160 I161 F162 L189 L215 Y216 F240M159-M245 HydrophobicContact CB-CE 4.07Å; M159-M245 HydrophobicContact CE-CE 3.05Å; M159-M245 HydrophobicContact CE-CG 4.44Å; M159-M245 HydrophobicContact CE-SD 3.48Å; M159-M245 WeakPolarHBondContact CE-SD 3.22Å; M159-M245 HydrophobicContact CG-CE 4.36Å; M159-M245 HydrophobicContact SD-CE 3.46Å; M159-M245 WeakPolarHBondContact SD-CE 3.42Å; Q160-M245 PolarHBondContact O-N 2.95Å; I161-M245 CarbonylContact C-O 3.55Å; I161-M245 VanDerWaalsContact CA-O 3.31Å; I161-M245 WeakPolarHBondContact CA-O 3.39Å; I161-M245 HydrophobicContact CD1-CE 4.45Å; I161-M245 HydrophobicContact CG1-CE 4.19Å; F162-M245 PolarHBondContact N-O 3.47Å; L189-M245 HydrophobicContact CD2-CE 3.81Å; L215-M245 HydrophobicContact CD1-CB 3.96Å; L215-M245 HydrophobicContact CD1-CE 4.19Å; L215-M245 HydrophobicContact CD1-SD 4.38Å; L215-M245 HydrophobicContact CD2-CE 3.63Å; L215-M245 HydrophobicContact CD2-SD 3.49Å; L215-M245 WeakPolarHBondContact CD2-SD 3.42Å; L215-M245 HydrophobicContact CG-CB 4.24Å; L215-M245 HydrophobicContact CG-CE 4.22Å; L215-M245 HydrophobicContact CG-SD 3.88Å; Y216-M245 CarbonylContact O-C 3.53Å; Y216-M245 VanDerWaalsContact O-CA 3.3Å; Y216-M245 WeakPolarHBondContact O-CA 3.13Å; Y216-M245 WeakPolarHBondContact O-CB 3.35Å; F240-M245 HydrophobicContact CD2-SD 4.37Å; F240-M245 HydrophobicContact CG-SD 4.5Å
246A92.1Very high74.1Confident0 Ų062.5 Ų62.50%033%0.325CS..EExtended strand (participates in β ladder)trans-128.5136.317300000110.9F162 Y216 A218 I224F162-A246 HydrophobicContact CB-CB 4.17Å; F162-A246 VanDerWaalsContact O-CA 3.3Å; F162-A246 WeakPolarHBondContact O-CA 3.42Å; Y216-A246 PolarHBondContact N-O 3.22Å; Y216-A246 PolarHBondContact O-N 2.86Å; A218-A246 HydrophobicContact CB-CB 3.8Å; I224-A246 HydrophobicContact CD1-CB 4.07Å; I224-A246 HydrophobicContact CG1-CB 3.76Å
247M91.6Very high71.6Confident2 Ų269.2 Ų69.21%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-93115.2171-174.7-179.475.300108.9I161 F162 L163 P164 I190 V193 F213I161-M247 HydrophobicContact CG2-CB 4.22Å; F162-M247 PolarHBondContact O-N 3.02Å; L163-M247 HydrophobicContact CD2-CB 4.19Å; L163-M247 HydrophobicContact CD2-CE 3.71Å; P164-M247 WeakPolarHBondContact CD-O 3.31Å; I190-M247 HydrophobicContact CG2-SD 3.93Å; V193-M247 HydrophobicContact CB-CE 4.25Å; V193-M247 HydrophobicContact CB-SD 3.74Å; V193-M247 HydrophobicContact CG1-CB 4.49Å; V193-M247 HydrophobicContact CG1-CE 3.74Å; V193-M247 HydrophobicContact CG1-SD 3.75Å; V193-M247 HydrophobicContact CG2-SD 4.32Å; F213-M247 HydrophobicContact CB-CG 4.11Å; F213-M247 HydrophobicContact CB-SD 4.24Å; F213-M247 HydrophobicContact CD1-CE 4.38Å; F213-M247 HydrophobicContact CD1-CG 4.34Å; F213-M247 HydrophobicContact CD1-SD 4.48Å; F213-M247 HydrophobicContact CG-CG 4.49Å; F213-M247 HydrophobicContact CG-SD 4.35Å
248A87.6Confident69.1Low3 Ų372.8 Ų72.83%0.02537%0.368CS..EExtended strand (participates in β ladder)trans-124155176.600000110.8P164 M165 A214 Y216 I224 R250P164-A248 HydrophobicContact CG-CB 4.2Å; M165-A248 HydrophobicContact CE-CB 3.53Å; A214-A248 PolarHBondContact N-O 3.07Å; A214-A248 PolarHBondContact O-N 3.38Å; A214-A248 VanDerWaalsContact O-O 3.12Å; Y216-A248 HydrophobicContact CD2-CB 3.86Å; Y216-A248 HydrophobicContact CE2-CB 3.83Å; I224-A248 HydrophobicContact CD1-CB 4.22Å; A248-R250 PolarHBondContact O-N 3.17Å
249E85.6Confident66.9Low81 Ų8179.4 Ų79.438%0.37939%0.392SS..EExtended strand (participates in β ladder)trans-56.1131.4170.2-68.6-167.4161.700109.7M165 K208 F213 S251M165-E249 HydrophobicContact CE-CB 4.34Å; M165-E249 HydrophobicContact CE-CG 4.43Å; M165-E249 HydrophobicContact CG-CG 4.43Å; M165-E249 HydrophobicContact SD-CB 4.36Å; M165-E249 HydrophobicContact SD-CG 3.83Å; K208-E249 IonicContact NZ-OE1 2.73Å; K208-E249 PolarHBondContact NZ-OE1 3.02Å; K208-E249 IonicContact NZ-OE2 3Å; K208-E249 PolarHBondContact NZ-OE2 3.25Å; F213-E249 HydrophobicContact CD1-CG 4.2Å; F213-E249 HydrophobicContact CE1-CG 3.73Å; E249-S251 PolarHBondContact O-N 2.9Å
250R76.8Confident65Low124 Ų12482.3 Ų82.347%0.46840%0.403SS..  trans-66.1106.6170.5-171.8170.2-175174.32.8105.9D212 A214 A248 S252 S254D212-R250 WeakPolarHBondContact O-CB 3.45Å; D212-R250 PolarHBondContact O-N 3.36Å; A214-R250 HydrophobicContact CB-CB 4.13Å; A214-R250 HydrophobicContact CB-CG 4.39Å; A248-R250 PolarHBondContact O-N 3.17Å; R250-S252 PolarHBondContact O-N 3.35Å; R250-S252 VanDerWaalsContact O-N 3.13Å; R250-S254 WeakPolarHBondContact CG-OG 3.48Å; R250-S254 PolarHBondContact NE-OG 3.04Å
251S63.1Low63.6Low56 Ų5685 Ų8539%0.39242%0.417SS..  trans-51.2129.3171.458.50000107E249 D253 S254E249-S251 PolarHBondContact O-N 2.9Å; S251-D253 PolarHBondContact O-N 3.11Å; S251-S254 WeakPolarHBondContact O-CB 3.44Å; S251-S254 PolarHBondContact O-N 3.06Å; S251-S254 PolarHBondContact O-OG 2.99Å; S251-S254 PolarHBondContact OG-N 3.22Å
252S52.3Low62.5Low85 Ų8579.1 Ų79.159%0.59440%0.395SS*.G310 helixtrans-58-5.6168.8490000111.8R250 N255R250-S252 PolarHBondContact O-N 3.35Å; R250-S252 VanDerWaalsContact O-N 3.13Å; S252-N255 WeakPolarHBondContact O-CB 3.3Å; S252-N255 PolarHBondContact O-N 2.98Å; S252-N255 PolarHBondContact O-ND2 3.48Å
253D44.7Very low61.9Low141 Ų14178.2 Ų78.275%0.75439%0.391SS*.G310 helixtrans-85.6-11.3172.7-56-31.3000113.1S251 N255S251-D253 PolarHBondContact O-N 3.11Å; D253-N255 PolarHBondContact O-N 2.99Å
254S41.7Very low61.5Low42 Ų4274.4 Ų74.429%0.29437%0.367SS..G310 helixtrans-77.818.6155.475.30000112.4R250 S251 F256R250-S254 WeakPolarHBondContact CG-OG 3.48Å; R250-S254 PolarHBondContact NE-OG 3.04Å; S251-S254 WeakPolarHBondContact O-CB 3.44Å; S251-S254 PolarHBondContact O-N 3.06Å; S251-S254 PolarHBondContact O-OG 2.99Å; S251-S254 PolarHBondContact OG-N 3.22Å; S254-F256 PolarHBondContact O-N 2.89Å
255N33Very low61.1Low74 Ų7475 Ų7540%0.39637%0.369SS..  trans-57.178.8139.7-81.7-25.7000109.7S252 D253 R257S252-N255 WeakPolarHBondContact O-CB 3.3Å; S252-N255 PolarHBondContact O-N 2.98Å; S252-N255 PolarHBondContact O-ND2 3.48Å; D253-N255 PolarHBondContact O-N 2.99Å; N255-R257 CarbonylContact C-O 3.6Å; N255-R257 HydrophobicContact CB-CB 3.66Å; N255-R257 HydrophobicContact CB-CG 4.13Å; N255-R257 VanDerWaalsContact CG-CD 3.46Å; N255-R257 CarbonylContact O-C 3.5Å; N255-R257 WeakPolarHBondContact OD1-CD 3.35Å; N255-R257 WeakPolarHBondContact OD1-CG 3.27Å; N255-R257 PolarHBondContact OD1-NE 2.8Å
256F37.7Very low60.6Low192 Ų19274.9 Ų74.984%0.84237%0.369SS*.  -74.454.5113-78-85.9000107.8S254 T258S254-F256 PolarHBondContact O-N 2.89Å; F256-T258 HydrophobicContact CD1-CG2 4.13Å
257R35.1Very low60.1Low168 Ų16876.8 Ų76.863%0.63438%0.378SS*.SBend-51.987.991.2-56.1171-164.3-164.3-1.7106.6N255 K259N255-R257 CarbonylContact C-O 3.6Å; N255-R257 HydrophobicContact CB-CB 3.66Å; N255-R257 HydrophobicContact CB-CG 4.13Å; N255-R257 VanDerWaalsContact CG-CD 3.46Å; N255-R257 CarbonylContact O-C 3.5Å; N255-R257 WeakPolarHBondContact OD1-CD 3.35Å; N255-R257 WeakPolarHBondContact OD1-CG 3.27Å; N255-R257 PolarHBondContact OD1-NE 2.8Å; R257-K259 PolarHBondContact O-N 3.31Å
258T35.9Very low59.6Low75 Ų7576.7 Ų76.746%0.4638%0.377SS..  trans-25.9118.214140.50000104.2F256 K260F256-T258 HydrophobicContact CD1-CG2 4.13Å; T258-K260 WeakPolarHBondContact O-CA 3.22Å; T258-K260 PolarHBondContact O-N 3.3Å
259K39.3Very low59Low179 Ų17979.3 Ų79.378%0.77839%0.39SS*.SBendtrans-33.698.8171-91.1176.5168.9175.60104.4R257 I261R257-K259 PolarHBondContact O-N 3.31Å; K259-I261 WeakPolarHBondContact O-CA 3.03Å; K259-I261 WeakPolarHBondContact O-CG1 3.36Å; K259-I261 PolarHBondContact O-N 3.15Å
260K43Very low58.2Low173 Ų17378.8 Ų78.875%0.75239%0.39SS*.  trans-53.5100.1-146-99.2-170.5177.8-172.20104.7T258 A262T258-K260 WeakPolarHBondContact O-CA 3.22Å; T258-K260 PolarHBondContact O-N 3.3Å; K260-A262 PolarHBondContact O-N 2.89Å
261I50.3Low57.9Low61 Ų6174.1 Ų74.131%0.31338%0.381SS..  trans-78.9101.6-166.9-65-17300096.1K259 H263 D277K259-I261 WeakPolarHBondContact O-CA 3.03Å; K259-I261 WeakPolarHBondContact O-CG1 3.36Å; K259-I261 PolarHBondContact O-N 3.15Å; I261-H263 VanDerWaalsContact C-N 3.35Å; I261-H263 PolarHBondContact O-CD2 2.93Å; I261-H263 VanDerWaalsContact O-CG 3.29Å; I261-H263 PolarHBondContact O-N 3.2Å; I261-H263 PolarHBondContact O-NE2 2.89Å; I261-D277 HydrophobicContact CG2-CB 3.49Å; I261-D277 VanDerWaalsContact CG2-CB 3.49Å
262A57.6Low58.3Low28 Ų2874.3 Ų74.323%0.23138%0.376CS..EExtended strand (participates in β ladder)trans-63.7112.2-175.700000103.1K260 V278 F328K260-A262 PolarHBondContact O-N 2.89Å; A262-V278 HydrophobicContact CB-CB 4.16Å; A262-V278 PolarHBondContact N-O 3.22Å; A262-V278 WeakPolarHBondContact O-CA 3.27Å; A262-V278 WeakPolarHBondContact O-CB 3.28Å; A262-V278 VanDerWaalsContact O-CG2 3.24Å; A262-V278 WeakPolarHBondContact O-CG2 3.32Å; A262-V278 PolarHBondContact O-N 3.37Å; A262-F328 HydrophobicContact CB-CD1 4.29Å; A262-F328 HydrophobicContact CB-CE1 3.81Å
263H68.5Low59.4Low70 Ų7071.9 Ų71.932%0.32436%0.358SS..EExtended strand (participates in β ladder)trans-90.9119.6-176.7-64.9-65.4000106.4I261 L275 I276 D277I261-H263 VanDerWaalsContact C-N 3.35Å; I261-H263 PolarHBondContact O-CD2 2.93Å; I261-H263 VanDerWaalsContact O-CG 3.29Å; I261-H263 PolarHBondContact O-N 3.2Å; I261-H263 PolarHBondContact O-NE2 2.89Å; H263-L275 HydrophobicContact CB-CD1 3.87Å; H263-L275 HydrophobicContact CB-CD2 4.31Å; H263-L275 HydrophobicContact CB-CG 3.95Å; H263-L275 WeakPolarHBondContact ND1-CD2 3.28Å; H263-I276 WeakPolarHBondContact CA-O 3.36Å; H263-D277 IonicContact CE1-OD1 2.72Å; H263-D277 PolarHBondContact CE1-OD1 2.78Å; H263-D277 IonicContact ND1-OD1 2.96Å; H263-D277 PolarHBondContact ND1-OD1 2.89Å
264A73.9Confident61Low0 Ų066 Ų660%033%0.326CS..EExtended strand (participates in β ladder)trans-90.1120.2169.500000107.9I276 V278 I288 F328A264-I276 PolarHBondContact N-O 2.93Å; A264-I276 PolarHBondContact O-N 2.66Å; A264-V278 HydrophobicContact CB-CG2 4.05Å; A264-I288 HydrophobicContact CB-CG2 3.96Å; A264-F328 HydrophobicContact CB-CD2 4.43Å; A264-F328 HydrophobicContact CB-CE2 3.63Å; A264-F328 HydrophobicContact CB-CZ 4.08Å
265I81.2Confident62.7Low19 Ų1966.4 Ų66.410%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-90.3114.3173.6-56.9176.7000107.4C273 E334 E335 L336 V358I265-C273 HydrophobicContact CG2-CB 4.19Å; I265-E334 PolarHBondContact N-O 2.78Å; I265-E335 HydrophobicContact CB-CG 4.42Å; I265-E335 HydrophobicContact CD1-CG 4.42Å; I265-L336 PolarHBondContact O-N 2.97Å; I265-V358 HydrophobicContact CD1-CG2 4.33Å
266V81.7Confident64.9Low0 Ų063.1 Ų63.10%031%0.308CS..EExtended strand (participates in β ladder)trans-107.6115.4179.9-174.20000109.7F268 C273 L274 I276 I288 A292 L336 C338V266-F268 HydrophobicContact CB-CE2 4.42Å; V266-F268 HydrophobicContact CG1-CE2 3.95Å; V266-F268 HydrophobicContact CG1-CZ 4.2Å; V266-C273 CarbonylContact O-C 3.57Å; V266-C273 WeakPolarHBondContact O-CA 3.13Å; V266-L274 PolarHBondContact N-O 2.83Å; V266-L274 PolarHBondContact O-N 2.8Å; V266-I276 HydrophobicContact CB-CD1 4.5Å; V266-I276 HydrophobicContact CG2-CD1 3.7Å; V266-I288 HydrophobicContact CG2-CG2 4.26Å; V266-A292 HydrophobicContact CB-CB 4.19Å; V266-A292 HydrophobicContact CG1-CB 3.94Å; V266-A292 HydrophobicContact CG2-CB 4.11Å; V266-L336 WeakPolarHBondContact CA-O 3.08Å; V266-L336 HydrophobicContact CG2-CB 4.49Å; V266-C338 HydrophobicContact CG1-CB 3.54Å
267H81.8Confident66.8Low40 Ų4057.8 Ų57.819%0.18529%0.288CS..EExtended strand (participates in β ladder)trans-90.9135176.4-68.3-82.6000111.4E272 F315 L336 Y337 C338H267-E272 WeakPolarHBondContact CA-O 3.33Å; H267-F315 AromaticContact CD2-CD2 3.6Å; H267-F315 AromaticContact CD2-CE2 3.87Å; H267-F315 AromaticContact NE2-CE2 3.98Å; H267-L336 PolarHBondContact N-O 3.19Å; H267-Y337 HydrophobicContact CB-CD2 3.49Å; H267-Y337 VanDerWaalsContact CB-CD2 3.49Å; H267-Y337 HydrophobicContact CB-CE2 3.87Å; H267-Y337 HydrophobicContact CB-CG 4.39Å; H267-C338 PolarHBondContact O-N 3Å
268F81.5Confident68.6Low0 Ų049.9 Ų49.90%026%0.258CS..  trans-103.8165.9174.9-70.5-94.1000111.7V266 N270 G271 E272 L274 A292 Y296 Y310 C338V266-F268 HydrophobicContact CB-CE2 4.42Å; V266-F268 HydrophobicContact CG1-CE2 3.95Å; V266-F268 HydrophobicContact CG1-CZ 4.2Å; F268-N270 WeakPolarHBondContact CB-OD1 3.48Å; F268-N270 PolarHBondContact O-N 3.24Å; F268-G271 PolarHBondContact O-N 3.12Å; F268-G271 VanDerWaalsContact O-N 3.15Å; F268-E272 PolarHBondContact N-O 3.35Å; F268-L274 HydrophobicContact CD2-CD1 4.41Å; F268-L274 HydrophobicContact CD2-CG 4.46Å; F268-L274 HydrophobicContact CE2-CB 4.3Å; F268-L274 HydrophobicContact CE2-CD1 3.56Å; F268-L274 HydrophobicContact CE2-CG 3.92Å; F268-L274 HydrophobicContact CZ-CD1 4.09Å; F268-A292 HydrophobicContact CZ-CB 3.97Å; F268-Y296 HydrophobicContact CB-CD2 4.38Å; F268-Y296 HydrophobicContact CB-CE2 3.98Å; F268-Y296 HydrophobicContact CD1-CD1 4.29Å; F268-Y296 AromaticContact CD1-CD2 3.66Å; F268-Y296 HydrophobicContact CD1-CD2 3.66Å; F268-Y296 HydrophobicContact CD1-CE1 4.43Å; F268-Y296 AromaticContact CD1-CE2 3.82Å; F268-Y296 HydrophobicContact CD1-CE2 3.82Å; F268-Y296 AromaticContact CD1-CG 3.92Å; F268-Y296 HydrophobicContact CD1-CG 3.92Å; F268-Y296 AromaticContact CD2-CD2 3.86Å; F268-Y296 HydrophobicContact CD2-CD2 3.86Å; F268-Y296 HydrophobicContact CD2-CE2 4.31Å; F268-Y296 HydrophobicContact CE1-CD1 4.12Å; F268-Y296 AromaticContact CE1-CD2 3.81Å; F268-Y296 HydrophobicContact CE1-CD2 3.81Å; F268-Y296 HydrophobicContact CE1-CE2 4.41Å; F268-Y296 AromaticContact CE1-CG 3.66Å; F268-Y296 HydrophobicContact CE1-CG 3.66Å; F268-Y296 HydrophobicContact CE2-CD2 4.03Å; F268-Y296 HydrophobicContact CE2-CG 4.4Å; F268-Y296 AromaticContact CG-CD2 3.68Å; F268-Y296 HydrophobicContact CG-CD2 3.68Å; F268-Y296 AromaticContact CG-CE2 3.76Å; F268-Y296 HydrophobicContact CG-CE2 3.76Å; F268-Y296 HydrophobicContact CG-CG 4.38Å; F268-Y296 AromaticContact CZ-CD2 3.99Å; F268-Y296 HydrophobicContact CZ-CD2 3.99Å; F268-Y296 AromaticContact CZ-CG 3.92Å; F268-Y296 HydrophobicContact CZ-CG 3.92Å; F268-Y310 HydrophobicContact CD1-CE1 4.29Å; F268-Y310 HydrophobicContact CE1-CE1 4.4Å; F268-C338 HydrophobicContact CD1-CB 4.17Å; F268-C338 HydrophobicContact CE1-CB 4.02Å; F268-C338 HydrophobicContact CZ-CB 4.34Å
269D73.9Confident70.2Confident57 Ų5751.8 Ų51.831%0.30527%0.27SS..THydrogen-bonded Turntrans-61.3-28.8178.862.4-21.8000113.8G271D269-G271 PolarHBondContact O-N 2.85Å
270N69.7Low71.7Confident71 Ų7145.2 Ų45.238%0.3825%0.247SC..THydrogen-bonded Turntrans-78.10.4176.870.2-6.9000114.5F268 E272 Y296F268-N270 WeakPolarHBondContact CB-OD1 3.48Å; F268-N270 PolarHBondContact O-N 3.24Å; N270-E272 VanDerWaalsContact OD1-CB 3.25Å; N270-E272 WeakPolarHBondContact OD1-CB 3.21Å; N270-E272 WeakPolarHBondContact OD1-CG 2.85Å; N270-E272 PolarHBondContact OD1-N 2.91Å; N270-Y296 WeakPolarHBondContact ND2-CE2 3.39Å; N270-Y296 PolarHBondContact ND2-OH 3.24Å; N270-Y296 VanDerWaalsContact ND2-OH 3.1Å
271G69.4Low73Confident26 Ų2641 Ų4127%0.26824%0.237SC..SBendtrans84.27.2-179.700000114.7F268 D269F268-G271 PolarHBondContact O-N 3.12Å; F268-G271 VanDerWaalsContact O-N 3.15Å; D269-G271 PolarHBondContact O-N 2.85Å
272E71.8Confident74.1Confident60 Ų6042 Ų4228%0.2825%0.249SC..  trans-81.6148.6171.7-66.7-81.3148.100111H267 F268 N270 K299 F300H267-E272 WeakPolarHBondContact CA-O 3.33Å; F268-E272 PolarHBondContact N-O 3.35Å; N270-E272 VanDerWaalsContact OD1-CB 3.25Å; N270-E272 WeakPolarHBondContact OD1-CB 3.21Å; N270-E272 WeakPolarHBondContact OD1-CG 2.85Å; N270-E272 PolarHBondContact OD1-N 2.91Å; E272-K299 IonicContact OE2-NZ 3.38Å; E272-K299 PolarHBondContact OE2-NZ 3.34Å; E272-F300 HydrophobicContact CG-CE2 4.07Å; E272-F300 HydrophobicContact CG-CZ 3.64Å
273C75.9Confident75.2Confident34 Ų3442 Ų4223%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-122.3135.5170.752.10000109I265 V266I265-C273 HydrophobicContact CG2-CB 4.19Å; V266-C273 CarbonylContact O-C 3.57Å; V266-C273 WeakPolarHBondContact O-CA 3.13Å
274L78.5Confident76Confident16 Ų1640.1 Ų40.18%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-113.7135.6172.6-65.2178.5000108.4V266 F268 A292 E295 K299V266-L274 PolarHBondContact N-O 2.83Å; V266-L274 PolarHBondContact O-N 2.8Å; F268-L274 HydrophobicContact CD2-CD1 4.41Å; F268-L274 HydrophobicContact CD2-CG 4.46Å; F268-L274 HydrophobicContact CE2-CB 4.3Å; F268-L274 HydrophobicContact CE2-CD1 3.56Å; F268-L274 HydrophobicContact CE2-CG 3.92Å; F268-L274 HydrophobicContact CZ-CD1 4.09Å; L274-A292 WeakPolarHBondContact CD1-O 3.4Å; L274-E295 HydrophobicContact CD1-CB 3.99Å; L274-K299 HydrophobicContact CD2-CD 4.24Å
275L77.2Confident76.5Confident51 Ų5140.1 Ų40.127%0.26724%0.24SC..EExtended strand (participates in β ladder)trans-101.5117.5176.5178.1138.1000107.9H263 D277 F357H263-L275 HydrophobicContact CB-CD1 3.87Å; H263-L275 HydrophobicContact CB-CD2 4.31Å; H263-L275 HydrophobicContact CB-CG 3.95Å; H263-L275 WeakPolarHBondContact ND1-CD2 3.28Å; L275-D277 WeakPolarHBondContact CD2-OD1 3.44Å; L275-F357 HydrophobicContact CB-CE1 3.92Å; L275-F357 HydrophobicContact CB-CZ 4.12Å; L275-F357 HydrophobicContact CD1-CE1 3.7Å; L275-F357 HydrophobicContact CD1-CZ 4.49Å; L275-F357 HydrophobicContact CG-CE1 4.45Å
276I79.9Confident76.7Confident6 Ų645.2 Ų45.23%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-109.2123.8-176.2-59.3171.9000109H263 A264 V266 V278 I288 K291 A292H263-I276 WeakPolarHBondContact CA-O 3.36Å; A264-I276 PolarHBondContact N-O 2.93Å; A264-I276 PolarHBondContact O-N 2.66Å; V266-I276 HydrophobicContact CB-CD1 4.5Å; V266-I276 HydrophobicContact CG2-CD1 3.7Å; I276-V278 PolarHBondContact O-N 2.9Å; I276-I288 HydrophobicContact CD1-CG2 4.1Å; I276-I288 WeakPolarHBondContact CD1-O 3.45Å; I276-K291 HydrophobicContact CD1-CB 4.43Å; I276-K291 HydrophobicContact CG2-CB 4.24Å; I276-K291 HydrophobicContact CG2-CD 4.15Å; I276-A292 VanDerWaalsContact CD1-CA 3.46Å; I276-A292 HydrophobicContact CD1-CB 3.36Å
277D76.1Confident76.9Confident79 Ų7947.7 Ų47.742%0.42227%0.273SS..EExtended strand (participates in β ladder)trans-75.6108178.1-72.20000110.5I261 H263 L275I261-D277 HydrophobicContact CG2-CB 3.49Å; I261-D277 VanDerWaalsContact CG2-CB 3.49Å; H263-D277 IonicContact CE1-OD1 2.72Å; H263-D277 PolarHBondContact CE1-OD1 2.78Å; H263-D277 IonicContact ND1-OD1 2.96Å; H263-D277 PolarHBondContact ND1-OD1 2.89Å; L275-D277 WeakPolarHBondContact CD2-OD1 3.44Å
278V73.6Confident77Confident3 Ų345.9 Ų45.92%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-93.2107.7175.7-169.30000109.2A262 A264 I276 S280 V283 I288A262-V278 HydrophobicContact CB-CB 4.16Å; A262-V278 PolarHBondContact N-O 3.22Å; A262-V278 WeakPolarHBondContact O-CA 3.27Å; A262-V278 WeakPolarHBondContact O-CB 3.28Å; A262-V278 VanDerWaalsContact O-CG2 3.24Å; A262-V278 WeakPolarHBondContact O-CG2 3.32Å; A262-V278 PolarHBondContact O-N 3.37Å; A264-V278 HydrophobicContact CB-CG2 4.05Å; I276-V278 PolarHBondContact O-N 2.9Å; V278-S280 VanDerWaalsContact C-N 3.31Å; V278-S280 WeakPolarHBondContact CG1-O 3.33Å; V278-S280 PolarHBondContact O-N 3.07Å; V278-V283 HydrophobicContact CG1-CB 3.91Å; V278-V283 HydrophobicContact CG1-CG2 3.92Å; V278-I288 HydrophobicContact CG2-CD1 3.99Å; V278-I288 HydrophobicContact CG2-CG1 4.19Å
279T70.6Confident77.2Confident115 Ų11548.3 Ų48.371%0.70627%0.274SS*.SBendtrans-67.3-27-177.2-44.40000113.4
280S69.7Low77.8Confident41 Ų4149.1 Ų49.129%0.28728%0.279SS..  trans-145.9143.1176.963.80000112.5V278 S282 V283V278-S280 VanDerWaalsContact C-N 3.31Å; V278-S280 WeakPolarHBondContact CG1-O 3.33Å; V278-S280 PolarHBondContact O-N 3.07Å; S280-S282 PolarHBondContact O-N 2.8Å; S280-S282 PolarHBondContact OG-OG 3.31Å; S280-V283 VanDerWaalsContact O-CG2 3.3Å; S280-V283 WeakPolarHBondContact O-CG2 3.43Å; S280-V283 PolarHBondContact O-N 2.84Å
281P70Confident78.5Confident85 Ų8550.4 Ų50.455%0.55228%0.281SS*.THydrogen-bonded Turntrans-65.8-11-179.127-35.4000114.1A329P281-A329 HydrophobicContact CB-CB 4.22Å; P281-A329 WeakPolarHBondContact O-CB 3.35Å; P281-A329 PolarHBondContact O-N 2.96Å
282S73.6Confident79.3Confident80 Ų8049.2 Ų49.256%0.55927%0.268SS*.THydrogen-bonded Turntrans-84.7-0.3179.158.20000114.8S280S280-S282 PolarHBondContact O-N 2.8Å; S280-S282 PolarHBondContact OG-OG 3.31Å
283V80.6Confident79.9Confident28 Ų2847 Ų4717%0.1726%0.259CS..  trans-68.1130.4-177.9175.40000110.3V278 S280 T287 I288 F328V278-V283 HydrophobicContact CG1-CB 3.91Å; V278-V283 HydrophobicContact CG1-CG2 3.92Å; S280-V283 VanDerWaalsContact O-CG2 3.3Å; S280-V283 WeakPolarHBondContact O-CG2 3.43Å; S280-V283 PolarHBondContact O-N 2.84Å; V283-T287 HydrophobicContact CG1-CG2 4.07Å; V283-I288 HydrophobicContact CG1-CG1 4.18Å; V283-F328 PolarHBondContact O-N 2.81Å
284P85.2Confident80.2Confident31 Ų3148.1 Ų48.120%0.20127%0.27CS..BIsolated β-bridgetrans-72.8144.6176.729.3-33.5000110.9R286 T287P284-R286 HydrophobicContact CB-CG 4.06Å; P284-R286 HydrophobicContact CG-CG 3.95Å; P284-R286 PolarHBondContact O-N 2.96Å; P284-R286 VanDerWaalsContact O-N 3.09Å; P284-T287 WeakPolarHBondContact O-CB 3.44Å; P284-T287 PolarHBondContact O-N 3.36Å; P284-T287 PolarHBondContact O-OG1 3.36Å
285L84.8Confident80.4Confident0 Ų052 Ų520%029%0.288CS..Hα-helixtrans-54.3-31.1-177.1-78.8-174.5000113.8T287 I288 R289 L312 L322 L324 A326 F328 V331 L336L285-T287 PolarHBondContact O-N 3.26Å; L285-I288 HydrophobicContact CD2-CD1 4.16Å; L285-I288 PolarHBondContact O-N 3.23Å; L285-I288 VanDerWaalsContact O-N 3.09Å; L285-R289 PolarHBondContact O-N 3.13Å; L285-L312 HydrophobicContact CB-CD1 4.2Å; L285-L312 HydrophobicContact CD2-CD1 4.48Å; L285-L322 HydrophobicContact CD1-CB 3.72Å; L285-L322 HydrophobicContact CD1-CD1 4.08Å; L285-L322 HydrophobicContact CD1-CG 4.38Å; L285-L324 PolarHBondContact N-O 3.03Å; L285-A326 HydrophobicContact CD1-CB 4.41Å; L285-A326 WeakPolarHBondContact CG-O 3.32Å; L285-A326 PolarHBondContact N-O 3.09Å; L285-F328 HydrophobicContact CD2-CD2 4.45Å; L285-V331 HydrophobicContact CD1-CG2 3.72Å; L285-V331 HydrophobicContact CD2-CG2 4.39Å; L285-V331 HydrophobicContact CG-CG2 4.16Å; L285-L336 HydrophobicContact CD2-CD1 3.92Å
286R85Confident80.5Confident127 Ų12750.5 Ų50.548%0.47928%0.279SS..Hα-helixtrans-50.8-41.7172.770.4-170.1-176.8-165.91.9113.1P284 I288 R289 D290 L324 D325P284-R286 HydrophobicContact CB-CG 4.06Å; P284-R286 HydrophobicContact CG-CG 3.95Å; P284-R286 PolarHBondContact O-N 2.96Å; P284-R286 VanDerWaalsContact O-N 3.09Å; R286-I288 VanDerWaalsContact C-N 3.35Å; R286-R289 PolarHBondContact O-N 3.47Å; R286-D290 WeakPolarHBondContact O-CB 3.5Å; R286-D290 PolarHBondContact O-N 3.01Å; R286-L324 HydrophobicContact CB-CB 4.23Å; R286-L324 PolarHBondContact N-O 2.77Å; R286-D325 IonicContact NH1-OD1 3.79Å
287T85.5Confident80.7Confident51 Ų5151.3 Ų51.331%0.31328%0.282SS..Hα-helixtrans-71.9-35-177.6-46.30000110.8V283 P284 L285 K291V283-T287 HydrophobicContact CG1-CG2 4.07Å; P284-T287 WeakPolarHBondContact O-CB 3.44Å; P284-T287 PolarHBondContact O-N 3.36Å; P284-T287 PolarHBondContact O-OG1 3.36Å; L285-T287 PolarHBondContact O-N 3.26Å; T287-K291 WeakPolarHBondContact O-CB 3.41Å; T287-K291 VanDerWaalsContact O-CG 3.3Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 3.02Å
288I84.9Confident80.8Confident2 Ų251.1 Ų51.11%0.0129%0.291CS..Hα-helixtrans-69.2-44.7176.8-65.3167.4000109.5A264 V266 I276 V278 V283 L285 R286 K291 A292 F328 L336A264-I288 HydrophobicContact CB-CG2 3.96Å; V266-I288 HydrophobicContact CG2-CG2 4.26Å; I276-I288 HydrophobicContact CD1-CG2 4.1Å; I276-I288 WeakPolarHBondContact CD1-O 3.45Å; V278-I288 HydrophobicContact CG2-CD1 3.99Å; V278-I288 HydrophobicContact CG2-CG1 4.19Å; V283-I288 HydrophobicContact CG1-CG1 4.18Å; L285-I288 HydrophobicContact CD2-CD1 4.16Å; L285-I288 PolarHBondContact O-N 3.23Å; L285-I288 VanDerWaalsContact O-N 3.09Å; R286-I288 VanDerWaalsContact C-N 3.35Å; I288-K291 PolarHBondContact O-N 2.84Å; I288-A292 WeakPolarHBondContact O-CB 3.24Å; I288-A292 PolarHBondContact O-N 3.17Å; I288-F328 HydrophobicContact CD1-CB 3.89Å; I288-F328 HydrophobicContact CD1-CD2 3.5Å; I288-F328 VanDerWaalsContact CD1-CD2 3.5Å; I288-F328 HydrophobicContact CD1-CE2 4.33Å; I288-F328 HydrophobicContact CD1-CG 3.94Å; I288-L336 HydrophobicContact CG2-CD1 4.28Å
289R86Confident81Confident52 Ų5256.3 Ų56.320%0.19631%0.314CS..Hα-helixtrans-57-51.5174.2-175.5-162.463.6-177.4-3.2111.4L285 R286 K291 A292 T293 Y310 L312 L324L285-R289 PolarHBondContact O-N 3.13Å; R286-R289 PolarHBondContact O-N 3.47Å; R289-K291 VanDerWaalsContact C-N 3.32Å; R289-K291 PolarHBondContact O-N 2.82Å; R289-A292 WeakPolarHBondContact O-CB 3.11Å; R289-A292 PolarHBondContact O-N 2.76Å; R289-A292 VanDerWaalsContact O-N 3.11Å; R289-T293 HydrophobicContact CG-CG2 4.32Å; R289-T293 WeakPolarHBondContact O-CG2 3.48Å; R289-T293 PolarHBondContact O-N 3.25Å; R289-T293 PolarHBondContact O-OG1 3.2Å; R289-T293 VanDerWaalsContact O-OG1 3.1Å; R289-Y310 VanDerWaalsContact CD-O 3.23Å; R289-Y310 WeakPolarHBondContact CD-O 3.3Å; R289-L312 HydrophobicContact CB-CD1 3.83Å; R289-L312 HydrophobicContact CB-CG 4.2Å; R289-L312 HydrophobicContact CG-CD1 4.5Å; R289-L312 HydrophobicContact CG-CG 4.33Å; R289-L324 VanDerWaalsContact NH1-CD1 3.3Å
290D85.9Confident81.1Confident74 Ų7454.5 Ų54.540%0.39630%0.297SS..Hα-helixtrans-67.4-35.2-173.9-62.9-14.2000111.4R286 T293 A294R286-D290 WeakPolarHBondContact O-CB 3.5Å; R286-D290 PolarHBondContact O-N 3.01Å; D290-T293 PolarHBondContact O-OG1 2.74Å; D290-A294 WeakPolarHBondContact O-CB 3.08Å; D290-A294 PolarHBondContact O-N 2.78Å
291K85.3Confident81.3Confident98 Ų9857.5 Ų57.543%0.42632%0.317SS..Hα-helixtrans-64.4-45.1169.2-77.6-179.5172.5-171.60111.9I276 T287 I288 R289 A294 E295I276-K291 HydrophobicContact CD1-CB 4.43Å; I276-K291 HydrophobicContact CG2-CB 4.24Å; I276-K291 HydrophobicContact CG2-CD 4.15Å; T287-K291 WeakPolarHBondContact O-CB 3.41Å; T287-K291 VanDerWaalsContact O-CG 3.3Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 3.02Å; I288-K291 PolarHBondContact O-N 2.84Å; R289-K291 VanDerWaalsContact C-N 3.32Å; R289-K291 PolarHBondContact O-N 2.82Å; K291-A294 PolarHBondContact O-N 3.36Å; K291-E295 PolarHBondContact O-N 3.17Å
292A84.4Confident81.4Confident0 Ų055.3 Ų55.30%030%0.301CS..Hα-helixtrans-60-48.7179.200000111.6V266 F268 L274 I276 I288 R289 Y296V266-A292 HydrophobicContact CB-CB 4.19Å; V266-A292 HydrophobicContact CG1-CB 3.94Å; V266-A292 HydrophobicContact CG2-CB 4.11Å; F268-A292 HydrophobicContact CZ-CB 3.97Å; L274-A292 WeakPolarHBondContact CD1-O 3.4Å; I276-A292 VanDerWaalsContact CD1-CA 3.46Å; I276-A292 HydrophobicContact CD1-CB 3.36Å; I288-A292 WeakPolarHBondContact O-CB 3.24Å; I288-A292 PolarHBondContact O-N 3.17Å; R289-A292 WeakPolarHBondContact O-CB 3.11Å; R289-A292 PolarHBondContact O-N 2.76Å; R289-A292 VanDerWaalsContact O-N 3.11Å; A292-Y296 WeakPolarHBondContact O-CB 3.32Å; A292-Y296 PolarHBondContact O-N 3Å
293T84.4Confident81.2Confident15 Ų1556.3 Ų56.39%0.09230%0.297CS..Hα-helixtrans-70.3-38.1-178.255.60000111.1R289 D290 Y296 F297 Y310R289-T293 HydrophobicContact CG-CG2 4.32Å; R289-T293 WeakPolarHBondContact O-CG2 3.48Å; R289-T293 PolarHBondContact O-N 3.25Å; R289-T293 PolarHBondContact O-OG1 3.2Å; R289-T293 VanDerWaalsContact O-OG1 3.1Å; D290-T293 PolarHBondContact O-OG1 2.74Å; T293-Y296 PolarHBondContact O-N 3.23Å; T293-F297 WeakPolarHBondContact O-CB 3.4Å; T293-F297 WeakPolarHBondContact O-CD2 3.48Å; T293-F297 WeakPolarHBondContact O-CG 3.4Å; T293-F297 PolarHBondContact O-N 2.77Å; T293-Y310 HydrophobicContact CG2-CD2 3.63Å; T293-Y310 HydrophobicContact CG2-CE2 4.28Å; T293-Y310 HydrophobicContact CG2-CG 3.85Å
294A84Confident80.6Confident56 Ų5660.4 Ų60.446%0.46332%0.317SS..Hα-helixtrans-61.9-46.9174.500000112.2D290 K291 Y296 F297 A298D290-A294 WeakPolarHBondContact O-CB 3.08Å; D290-A294 PolarHBondContact O-N 2.78Å; K291-A294 PolarHBondContact O-N 3.36Å; A294-Y296 VanDerWaalsContact C-N 3.34Å; A294-F297 PolarHBondContact O-N 3.17Å; A294-A298 WeakPolarHBondContact O-CB 3.39Å; A294-A298 PolarHBondContact O-N 3.09Å
295E81.1Confident79.5Confident98 Ų9865.6 Ų65.646%0.45834%0.339SS..Hα-helixtrans-65.1-38.7175.2-76.4-166.6178.500112.1L274 K291 A298 K299L274-E295 HydrophobicContact CD1-CB 3.99Å; K291-E295 PolarHBondContact O-N 3.17Å; E295-A298 PolarHBondContact O-N 3.05Å; E295-K299 VanDerWaalsContact O-CB 3.23Å; E295-K299 WeakPolarHBondContact O-CB 3.19Å; E295-K299 PolarHBondContact O-N 3.16Å
296Y80.8Confident78.5Confident19 Ų1971 Ų718%0.07536%0.362CS..Hα-helixtrans-61.8-48.6174.8-178.1-99.1000111.8F268 N270 A292 T293 A294 A298 K299 F300 I302F268-Y296 HydrophobicContact CB-CD2 4.38Å; F268-Y296 HydrophobicContact CB-CE2 3.98Å; F268-Y296 HydrophobicContact CD1-CD1 4.29Å; F268-Y296 AromaticContact CD1-CD2 3.66Å; F268-Y296 HydrophobicContact CD1-CD2 3.66Å; F268-Y296 HydrophobicContact CD1-CE1 4.43Å; F268-Y296 AromaticContact CD1-CE2 3.82Å; F268-Y296 HydrophobicContact CD1-CE2 3.82Å; F268-Y296 AromaticContact CD1-CG 3.92Å; F268-Y296 HydrophobicContact CD1-CG 3.92Å; F268-Y296 AromaticContact CD2-CD2 3.86Å; F268-Y296 HydrophobicContact CD2-CD2 3.86Å; F268-Y296 HydrophobicContact CD2-CE2 4.31Å; F268-Y296 HydrophobicContact CE1-CD1 4.12Å; F268-Y296 AromaticContact CE1-CD2 3.81Å; F268-Y296 HydrophobicContact CE1-CD2 3.81Å; F268-Y296 HydrophobicContact CE1-CE2 4.41Å; F268-Y296 AromaticContact CE1-CG 3.66Å; F268-Y296 HydrophobicContact CE1-CG 3.66Å; F268-Y296 HydrophobicContact CE2-CD2 4.03Å; F268-Y296 HydrophobicContact CE2-CG 4.4Å; F268-Y296 AromaticContact CG-CD2 3.68Å; F268-Y296 HydrophobicContact CG-CD2 3.68Å; F268-Y296 AromaticContact CG-CE2 3.76Å; F268-Y296 HydrophobicContact CG-CE2 3.76Å; F268-Y296 HydrophobicContact CG-CG 4.38Å; F268-Y296 AromaticContact CZ-CD2 3.99Å; F268-Y296 HydrophobicContact CZ-CD2 3.99Å; F268-Y296 AromaticContact CZ-CG 3.92Å; F268-Y296 HydrophobicContact CZ-CG 3.92Å; N270-Y296 WeakPolarHBondContact ND2-CE2 3.39Å; N270-Y296 PolarHBondContact ND2-OH 3.24Å; N270-Y296 VanDerWaalsContact ND2-OH 3.1Å; A292-Y296 WeakPolarHBondContact O-CB 3.32Å; A292-Y296 PolarHBondContact O-N 3Å; T293-Y296 PolarHBondContact O-N 3.23Å; A294-Y296 VanDerWaalsContact C-N 3.34Å; Y296-A298 VanDerWaalsContact C-N 3.33Å; Y296-A298 PolarHBondContact O-N 3.27Å; Y296-K299 PolarHBondContact O-N 3.1Å; Y296-F300 HydrophobicContact CD1-CD2 4.5Å; Y296-F300 AromaticContact CD2-CD2 3.58Å; Y296-F300 HydrophobicContact CD2-CD2 3.58Å; Y296-F300 AromaticContact CD2-CE2 3.7Å; Y296-F300 HydrophobicContact CD2-CE2 3.7Å; Y296-F300 HydrophobicContact CE1-CD2 4.38Å; Y296-F300 AromaticContact CE2-CD2 3.43Å; Y296-F300 HydrophobicContact CE2-CD2 3.43Å; Y296-F300 VanDerWaalsContact CE2-CD2 3.43Å; Y296-F300 AromaticContact CE2-CE2 3.49Å; Y296-F300 HydrophobicContact CE2-CE2 3.49Å; Y296-F300 VanDerWaalsContact CE2-CE2 3.49Å; Y296-F300 HydrophobicContact CE2-CG 4.47Å; Y296-F300 HydrophobicContact CG-CD2 4.12Å; Y296-F300 AromaticContact CZ-CD2 3.84Å; Y296-F300 WeakPolarHBondContact O-CD2 3.48Å; Y296-F300 PolarHBondContact O-N 3.42Å; Y296-I302 HydrophobicContact CD1-CD1 3.85Å; Y296-I302 HydrophobicContact CE1-CD1 3.36Å
297F82.6Confident77.8Confident23 Ų2371 Ų7110%0.10136%0.362CS..Hα-helixtrans-64.4-38.1178.2-61.3-32.6000112T293 A294 S301 I302 R307 Y310T293-F297 WeakPolarHBondContact O-CB 3.4Å; T293-F297 WeakPolarHBondContact O-CD2 3.48Å; T293-F297 WeakPolarHBondContact O-CG 3.4Å; T293-F297 PolarHBondContact O-N 2.77Å; A294-F297 PolarHBondContact O-N 3.17Å; F297-S301 WeakPolarHBondContact O-CA 3.37Å; F297-S301 PolarHBondContact O-N 3.01Å; F297-I302 HydrophobicContact CD1-CB 3.95Å; F297-I302 HydrophobicContact CD1-CD1 3.88Å; F297-I302 HydrophobicContact CD1-CG1 4.44Å; F297-I302 HydrophobicContact CD1-CG2 4.19Å; F297-I302 HydrophobicContact CE1-CD1 4.41Å; F297-I302 PolarHBondContact O-N 2.88Å; F297-I302 VanDerWaalsContact O-N 3.16Å; F297-R307 HydrophobicContact CD1-CG 4.39Å; F297-R307 HydrophobicContact CD2-CG 3.96Å; F297-R307 HydrophobicContact CE1-CG 4.24Å; F297-R307 HydrophobicContact CE2-CB 4.04Å; F297-R307 HydrophobicContact CE2-CG 3.78Å; F297-R307 HydrophobicContact CG-CG 4.28Å; F297-R307 HydrophobicContact CZ-CB 3.95Å; F297-R307 HydrophobicContact CZ-CG 3.92Å; F297-Y310 AromaticContact CE1-CE2 3.78Å; F297-Y310 HydrophobicContact CE1-CE2 3.78Å; F297-Y310 HydrophobicContact CZ-CD2 4.29Å; F297-Y310 AromaticContact CZ-CE2 3.64Å; F297-Y310 HydrophobicContact CZ-CE2 3.64Å
298A79.5Confident77.1Confident75 Ų7572.4 Ų72.462%0.6237%0.367SS*.Hα-helixtrans-65.1-45.1174.700000111.6A294 E295 Y296 F300A294-A298 WeakPolarHBondContact O-CB 3.39Å; A294-A298 PolarHBondContact O-N 3.09Å; E295-A298 PolarHBondContact O-N 3.05Å; Y296-A298 VanDerWaalsContact C-N 3.33Å; Y296-A298 PolarHBondContact O-N 3.27Å; A298-F300 PolarHBondContact O-N 3.05Å
299K76.6Confident76.8Confident112 Ų11277.1 Ų77.149%0.48739%0.392SS..Hα-helixtrans-66.9-36.2-179.2-171.8176.8174.2-168.10112.6E272 L274 E295 Y296E272-K299 IonicContact OE2-NZ 3.38Å; E272-K299 PolarHBondContact OE2-NZ 3.34Å; L274-K299 HydrophobicContact CD2-CD 4.24Å; E295-K299 VanDerWaalsContact O-CB 3.23Å; E295-K299 WeakPolarHBondContact O-CB 3.19Å; E295-K299 PolarHBondContact O-N 3.16Å; Y296-K299 PolarHBondContact O-N 3.1Å
300F72.9Confident76.6Confident78 Ų7875.5 Ų75.534%0.34239%0.386SS..Hα-helixtrans-102.24.8-177.8-68.9-72.9000114.5E272 Y296 A298 I302E272-F300 HydrophobicContact CG-CE2 4.07Å; E272-F300 HydrophobicContact CG-CZ 3.64Å; Y296-F300 HydrophobicContact CD1-CD2 4.5Å; Y296-F300 AromaticContact CD2-CD2 3.58Å; Y296-F300 HydrophobicContact CD2-CD2 3.58Å; Y296-F300 AromaticContact CD2-CE2 3.7Å; Y296-F300 HydrophobicContact CD2-CE2 3.7Å; Y296-F300 HydrophobicContact CE1-CD2 4.38Å; Y296-F300 AromaticContact CE2-CD2 3.43Å; Y296-F300 HydrophobicContact CE2-CD2 3.43Å; Y296-F300 VanDerWaalsContact CE2-CD2 3.43Å; Y296-F300 AromaticContact CE2-CE2 3.49Å; Y296-F300 HydrophobicContact CE2-CE2 3.49Å; Y296-F300 VanDerWaalsContact CE2-CE2 3.49Å; Y296-F300 HydrophobicContact CE2-CG 4.47Å; Y296-F300 HydrophobicContact CG-CD2 4.12Å; Y296-F300 AromaticContact CZ-CD2 3.84Å; Y296-F300 WeakPolarHBondContact O-CD2 3.48Å; Y296-F300 PolarHBondContact O-N 3.42Å; A298-F300 PolarHBondContact O-N 3.05Å; F300-I302 VanDerWaalsContact C-N 3.26Å; F300-I302 HydrophobicContact CB-CD1 3.88Å; F300-I302 HydrophobicContact CB-CG1 3.86Å; F300-I302 PolarHBondContact O-N 3.33Å
301S74.9Confident76.5Confident104 Ų10475.1 Ų75.173%0.72738%0.381SS*.THydrogen-bonded Turntrans48.447-179.9-62.20000112.8F297 E303F297-S301 WeakPolarHBondContact O-CA 3.37Å; F297-S301 PolarHBondContact O-N 3.01Å; S301-E303 PolarHBondContact O-N 2.97Å
302I71.1Confident76.5Confident39 Ų3970.5 Ų70.520%0.236%0.361CS..  trans-80.4118.9-176.8-63.4171.2000109.1Y296 F297 F300 K306Y296-I302 HydrophobicContact CD1-CD1 3.85Å; Y296-I302 HydrophobicContact CE1-CD1 3.36Å; F297-I302 HydrophobicContact CD1-CB 3.95Å; F297-I302 HydrophobicContact CD1-CD1 3.88Å; F297-I302 HydrophobicContact CD1-CG1 4.44Å; F297-I302 HydrophobicContact CD1-CG2 4.19Å; F297-I302 HydrophobicContact CE1-CD1 4.41Å; F297-I302 PolarHBondContact O-N 2.88Å; F297-I302 VanDerWaalsContact O-N 3.16Å; F300-I302 VanDerWaalsContact C-N 3.26Å; F300-I302 HydrophobicContact CB-CD1 3.88Å; F300-I302 HydrophobicContact CB-CG1 3.86Å; F300-I302 PolarHBondContact O-N 3.33Å; I302-K306 HydrophobicContact CG2-CB 3.76Å
303E68.9Low76.6Confident101 Ų10171.5 Ų71.547%0.47237%0.366SS..  trans-60.4146.1179.2-61.1166.2139.700111.9S301 H305 K306S301-E303 PolarHBondContact O-N 2.97Å; E303-H305 WeakPolarHBondContact CB-CE1 3.5Å; E303-H305 WeakPolarHBondContact CB-ND1 3.49Å; E303-H305 VanDerWaalsContact CD-CE1 3.43Å; E303-H305 PolarHBondContact O-N 3.39Å; E303-H305 VanDerWaalsContact O-N 3.08Å; E303-H305 IonicContact OE2-CE1 2.91Å; E303-H305 PolarHBondContact OE2-CE1 3.47Å; E303-H305 IonicContact OE2-NE2 2.65Å; E303-H305 PolarHBondContact OE2-NE2 2.88Å; E303-K306 PolarHBondContact O-N 3.26Å; E303-K306 IonicContact OE2-NZ 3.91Å; E303-K306 PolarHBondContact OE2-NZ 2.8Å
304D68.8Low76.5Confident113 Ų11373 Ų7360%0.60437%0.371SS*.G310 helixtrans-55.5-34.1-170.5-66.83.9000113.8K306 R307D304-K306 PolarHBondContact O-N 2.87Å; D304-R307 WeakPolarHBondContact O-CB 3.47Å; D304-R307 PolarHBondContact O-N 3.44Å; D304-R307 IonicContact OD1-CZ 3.95Å; D304-R307 IonicContact OD1-NE 3.29Å; D304-R307 PolarHBondContact OD1-NE 3.38Å; D304-R307 IonicContact OD1-NH1 2.86Å; D304-R307 IonicContact OD1-NH2 3.09Å; D304-R307 PolarHBondContact OD1-NH2 2.85Å
305H62.8Low76.1Confident141 Ų14173.8 Ų73.865%0.65336%0.364SS*.G310 helixtrans-72.4-11.2178.564-88.1000114.2E303E303-H305 WeakPolarHBondContact CB-CE1 3.5Å; E303-H305 WeakPolarHBondContact CB-ND1 3.49Å; E303-H305 VanDerWaalsContact CD-CE1 3.43Å; E303-H305 PolarHBondContact O-N 3.39Å; E303-H305 VanDerWaalsContact O-N 3.08Å; E303-H305 IonicContact OE2-CE1 2.91Å; E303-H305 PolarHBondContact OE2-CE1 3.47Å; E303-H305 IonicContact OE2-NE2 2.65Å; E303-H305 PolarHBondContact OE2-NE2 2.88Å
306K64.1Low75.8Confident113 Ų11377.7 Ų77.749%0.49138%0.38SS..G310 helixtrans-102.1-0.7176-65.1175.5-178.1146.30112.6I302 E303 D304 L308I302-K306 HydrophobicContact CG2-CB 3.76Å; E303-K306 PolarHBondContact O-N 3.26Å; E303-K306 IonicContact OE2-NZ 3.91Å; E303-K306 PolarHBondContact OE2-NZ 2.8Å; D304-K306 PolarHBondContact O-N 2.87Å; K306-L308 PolarHBondContact O-N 2.78Å
307R70.3Confident75.5Confident128 Ų12881 Ų8148%0.48340%0.396SS..  trans-74.396177.1-62.9-178.5-175.6-179.13.8109.2F297 D304F297-R307 HydrophobicContact CD1-CG 4.39Å; F297-R307 HydrophobicContact CD2-CG 3.96Å; F297-R307 HydrophobicContact CE1-CG 4.24Å; F297-R307 HydrophobicContact CE2-CB 4.04Å; F297-R307 HydrophobicContact CE2-CG 3.78Å; F297-R307 HydrophobicContact CG-CG 4.28Å; F297-R307 HydrophobicContact CZ-CB 3.95Å; F297-R307 HydrophobicContact CZ-CG 3.92Å; D304-R307 WeakPolarHBondContact O-CB 3.47Å; D304-R307 PolarHBondContact O-N 3.44Å; D304-R307 IonicContact OD1-CZ 3.95Å; D304-R307 IonicContact OD1-NE 3.29Å; D304-R307 PolarHBondContact OD1-NE 3.38Å; D304-R307 IonicContact OD1-NH1 2.86Å; D304-R307 IonicContact OD1-NH2 3.09Å; D304-R307 PolarHBondContact OD1-NH2 2.85Å
308L69.7Low75Confident80 Ų8084.1 Ų84.142%0.41942%0.419SS..  trans-92.2160.3174.7-74.7154.1000110.3K306 Y310 R340K306-L308 PolarHBondContact O-N 2.78Å; L308-Y310 WeakPolarHBondContact O-CD2 3.4Å; L308-Y310 WeakPolarHBondContact O-CE2 3.45Å; L308-R340 HydrophobicContact CB-CG 4.26Å
309N78.6Confident74.6Confident100 Ų10083.3 Ų83.354%0.53542%0.417SS..  trans-66.6142.6176.2-67.3-26.7000110.3E341N309-E341 HydrophobicContact CB-CB 4.36Å; N309-E341 HydrophobicContact CB-CG 3.66Å; N309-E341 WeakPolarHBondContact CB-OE1 3.49Å; N309-E341 WeakPolarHBondContact CB-OE2 3.5Å; N309-E341 PolarHBondContact ND2-OE2 3.47Å; N309-E341 VanDerWaalsContact ND2-OE2 3.12Å; N309-E341 WeakPolarHBondContact O-CG 3.34Å; N309-E341 PolarHBondContact O-N 3.46Å
310Y82.4Confident74.6Confident18 Ų1882.4 Ų82.47%0.07142%0.417CS..EExtended strand (participates in β ladder)trans-117.6144176.4-71.2-99.2000110.6F268 R289 T293 F297 L308 C338 L339 R340F268-Y310 HydrophobicContact CD1-CE1 4.29Å; F268-Y310 HydrophobicContact CE1-CE1 4.4Å; R289-Y310 VanDerWaalsContact CD-O 3.23Å; R289-Y310 WeakPolarHBondContact CD-O 3.3Å; T293-Y310 HydrophobicContact CG2-CD2 3.63Å; T293-Y310 HydrophobicContact CG2-CE2 4.28Å; T293-Y310 HydrophobicContact CG2-CG 3.85Å; F297-Y310 AromaticContact CE1-CE2 3.78Å; F297-Y310 HydrophobicContact CE1-CE2 3.78Å; F297-Y310 HydrophobicContact CZ-CD2 4.29Å; F297-Y310 AromaticContact CZ-CE2 3.64Å; F297-Y310 HydrophobicContact CZ-CE2 3.64Å; L308-Y310 WeakPolarHBondContact O-CD2 3.4Å; L308-Y310 WeakPolarHBondContact O-CE2 3.45Å; Y310-C338 VanDerWaalsContact CB-SG 3.53Å; Y310-L339 CarbonylContact C-O 3.47Å; Y310-L339 VanDerWaalsContact CA-O 3.24Å; Y310-L339 WeakPolarHBondContact CA-O 3.49Å; Y310-R340 HydrophobicContact CD1-CB 4.37Å; Y310-R340 HydrophobicContact CE1-CB 4.13Å
311K83.7Confident74.8Confident66 Ų6684.1 Ų84.129%0.28743%0.426SS..EExtended strand (participates in β ladder)trans-107153.1173.2-64.5178.9166.2-1620109.4E321 C338 L339 E341K311-E321 HydrophobicContact CD-CG 4.36Å; K311-E321 WeakPolarHBondContact CD-OE1 3.39Å; K311-E321 WeakPolarHBondContact CE-OE2 3.23Å; K311-E321 IonicContact NZ-OE1 3.08Å; K311-E321 PolarHBondContact NZ-OE1 2.95Å; K311-E321 IonicContact NZ-OE2 3.82Å; K311-E321 PolarHBondContact NZ-OE2 2.79Å; K311-C338 CarbonylContact O-C 3.59Å; K311-C338 WeakPolarHBondContact O-CA 3.14Å; K311-L339 PolarHBondContact N-O 2.85Å; K311-L339 PolarHBondContact O-N 3.01Å; K311-E341 HydrophobicContact CD-CG 4.21Å; K311-E341 HydrophobicContact CG-CG 4Å
312L85.3Confident75Confident1 Ų180.3 Ų80.31%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-109.7133.3175.6-71.8176.5000109.9L285 R289 L322 L324 L336 Y337 C338L285-L312 HydrophobicContact CB-CD1 4.2Å; L285-L312 HydrophobicContact CD2-CD1 4.48Å; R289-L312 HydrophobicContact CB-CD1 3.83Å; R289-L312 HydrophobicContact CB-CG 4.2Å; R289-L312 HydrophobicContact CG-CD1 4.5Å; R289-L312 HydrophobicContact CG-CG 4.33Å; L312-L322 HydrophobicContact CB-CB 4.42Å; L312-L322 HydrophobicContact CB-CD1 4.49Å; L312-L322 WeakPolarHBondContact O-CB 3.48Å; L312-L322 PolarHBondContact O-N 2.81Å; L312-L324 HydrophobicContact CD1-CD2 4.44Å; L312-L336 HydrophobicContact CD1-CD1 4.47Å; L312-L336 HydrophobicContact CD2-CB 4.48Å; L312-Y337 CarbonylContact C-O 3.58Å; L312-Y337 WeakPolarHBondContact CA-O 3.41Å; L312-C338 HydrophobicContact CD2-CB 4.09Å
313E86.3Confident75.5Confident22 Ų2282.1 Ų82.110%0.10341%0.413CS..EExtended strand (participates in β ladder)trans-122.1159.1171.5-65.7-173.8178.800109.8G319 Y337 L339E313-G319 PolarHBondContact OE2-N 2.85Å; E313-Y337 PolarHBondContact N-O 2.89Å; E313-Y337 PolarHBondContact O-N 2.98Å; E313-L339 HydrophobicContact CB-CD1 4.43Å; E313-L339 HydrophobicContact CG-CD1 3.75Å; E313-L339 WeakPolarHBondContact OE1-CD1 3.48Å; E313-L339 VanDerWaalsContact OE2-CD1 3.29Å; E313-L339 WeakPolarHBondContact OE2-CD1 3.34Å
314K82.8Confident75.9Confident46 Ų4680 Ų8020%0.241%0.405CS..EExtended strand (participates in β ladder)trans-73.1143.4168.8-68.3177.3-176.1171.10109.9K316 E317 L322 V331K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 2.82Å; K314-E317 HydrophobicContact CB-CB 4.23Å; K314-E317 HydrophobicContact CD-CB 4.38Å; K314-E317 VanDerWaalsContact CD-OE2 3.27Å; K314-E317 WeakPolarHBondContact CD-OE2 3.37Å; K314-E317 IonicContact NZ-OE2 2.95Å; K314-E317 PolarHBondContact NZ-OE2 3.1Å; K314-E317 PolarHBondContact O-N 2.84Å; K314-L322 HydrophobicContact CD-CD2 4.48Å; K314-L322 HydrophobicContact CG-CD1 3.94Å; K314-L322 HydrophobicContact CG-CD2 3.93Å; K314-L322 HydrophobicContact CG-CG 4.19Å; K314-V331 HydrophobicContact CG-CG1 4.45Å
315F76Confident76.5Confident73 Ų7380.2 Ų80.232%0.3241%0.406SS..SBendtrans-61.3-40.8178.1-172.8-101.2000112.9H267 E335 Y337 R345H267-F315 AromaticContact CD2-CD2 3.6Å; H267-F315 AromaticContact CD2-CE2 3.87Å; H267-F315 AromaticContact NE2-CE2 3.98Å; F315-E335 HydrophobicContact CB-CB 3.64Å; F315-E335 WeakPolarHBondContact CB-O 3.11Å; F315-E335 WeakPolarHBondContact CD1-OE2 3.17Å; F315-E335 HydrophobicContact CG-CB 4.2Å; F315-E335 PolarHBondContact N-O 2.91Å; F315-Y337 HydrophobicContact CD2-CD2 4.33Å; F315-R345 PolarHBondContact O-NH1 3.26Å; F315-R345 PolarHBondContact O-NH2 2.92Å
316K73.5Confident77.3Confident180 Ų18074.9 Ų74.978%0.78339%0.386SS*.SBendtrans-79.2-26.7-177.5-66.3-176.2-179.8176.90114.6K314 P318K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 2.82Å; K316-P318 VanDerWaalsContact O-CD 3.28Å; K316-P318 WeakPolarHBondContact O-CD 3.46Å
317E74.6Confident78.2Confident89 Ų8972 Ų7242%0.41638%0.378SS..SBendtrans-117.181.5-177.2-67.4172.7176.500109.1K314 I320K314-E317 HydrophobicContact CB-CB 4.23Å; K314-E317 HydrophobicContact CD-CB 4.38Å; K314-E317 VanDerWaalsContact CD-OE2 3.27Å; K314-E317 WeakPolarHBondContact CD-OE2 3.37Å; K314-E317 IonicContact NZ-OE2 2.95Å; K314-E317 PolarHBondContact NZ-OE2 3.1Å; K314-E317 PolarHBondContact O-N 2.84Å; E317-I320 HydrophobicContact CB-CD1 4.26Å
318P72.9Confident78.6Confident88 Ų8866.7 Ų66.757%0.57136%0.359SS*.THydrogen-bonded Turntrans-61.5137.1177.224-31.8000111.3K316K316-P318 VanDerWaalsContact O-CD 3.28Å; K316-P318 WeakPolarHBondContact O-CD 3.46Å
319G69.9Low78.9Confident57 Ų5765.9 Ų65.959%0.58836%0.364SS*.THydrogen-bonded Turntrans90.92.6172.800000116.4E313E313-G319 PolarHBondContact OE2-N 2.85Å
320I76.7Confident78.9Confident93 Ų9364.8 Ų64.848%0.47737%0.369SS..  trans-102.4108170.3-57.8176.2000108.6E317 L322E317-I320 HydrophobicContact CB-CD1 4.26Å; I320-L322 PolarHBondContact O-N 2.86Å
321E77.2Confident78.6Confident114 Ų11464.9 Ų64.953%0.53337%0.371SS..BIsolated β-bridgetrans-66.9123.6174.3-61.5-176.8-171.900109.8K311K311-E321 HydrophobicContact CD-CG 4.36Å; K311-E321 WeakPolarHBondContact CD-OE1 3.39Å; K311-E321 WeakPolarHBondContact CE-OE2 3.23Å; K311-E321 IonicContact NZ-OE1 3.08Å; K311-E321 PolarHBondContact NZ-OE1 2.95Å; K311-E321 IonicContact NZ-OE2 3.82Å; K311-E321 PolarHBondContact NZ-OE2 2.79Å
322L79.2Confident78Confident24 Ų2465 Ų6513%0.12639%0.39CS..PPolyproline II helixtrans-78.1130.9175.9-72.6167.9000110.1L285 L312 K314 I320 L324 V331 L336L285-L322 HydrophobicContact CD1-CB 3.72Å; L285-L322 HydrophobicContact CD1-CD1 4.08Å; L285-L322 HydrophobicContact CD1-CG 4.38Å; L312-L322 HydrophobicContact CB-CB 4.42Å; L312-L322 HydrophobicContact CB-CD1 4.49Å; L312-L322 WeakPolarHBondContact O-CB 3.48Å; L312-L322 PolarHBondContact O-N 2.81Å; K314-L322 HydrophobicContact CD-CD2 4.48Å; K314-L322 HydrophobicContact CG-CD1 3.94Å; K314-L322 HydrophobicContact CG-CD2 3.93Å; K314-L322 HydrophobicContact CG-CG 4.19Å; I320-L322 PolarHBondContact O-N 2.86Å; L322-L324 PolarHBondContact O-N 2.89Å; L322-V331 HydrophobicContact CD1-CG1 4.01Å; L322-V331 HydrophobicContact CD2-CG1 3.78Å; L322-V331 HydrophobicContact CD2-CG2 4.3Å; L322-L336 HydrophobicContact CD1-CD2 3.55Å
323S80.9Confident77.3Confident78 Ų7866.5 Ų66.555%0.54540%0.401SS..PPolyproline II helixtrans-60.9125.4172.21790000110.4D325 A326S323-D325 PolarHBondContact O-N 2.97Å; S323-A326 WeakPolarHBondContact O-CB 3.4Å; S323-A326 PolarHBondContact O-N 3.19Å; S323-A326 VanDerWaalsContact O-N 3.09Å
324L78.6Confident76.8Confident55 Ų5572 Ų7229%0.28843%0.427SS..THydrogen-bonded Turntrans-66.8-16.8-177.3-64173.8000113.5L285 R286 R289 L312 L322L285-L324 PolarHBondContact N-O 3.03Å; R286-L324 HydrophobicContact CB-CB 4.23Å; R286-L324 PolarHBondContact N-O 2.77Å; R289-L324 VanDerWaalsContact NH1-CD1 3.3Å; L312-L324 HydrophobicContact CD1-CD2 4.44Å; L322-L324 PolarHBondContact O-N 2.89Å
325D80Confident76.7Confident118 Ų11872.8 Ų72.863%0.63143%0.431SS*.THydrogen-bonded Turntrans-87.5-10.8177.2-65-35.5000113R286 S323R286-D325 IonicContact NH1-OD1 3.79Å; S323-D325 PolarHBondContact O-N 2.97Å
326A81.3Confident77.1Confident29 Ų2969.3 Ų69.324%0.2442%0.416CS..SBendtrans-67.3142174.500000110.8L285 S323 V331L285-A326 HydrophobicContact CD1-CB 4.41Å; L285-A326 WeakPolarHBondContact CG-O 3.32Å; L285-A326 PolarHBondContact N-O 3.09Å; S323-A326 WeakPolarHBondContact O-CB 3.4Å; S323-A326 PolarHBondContact O-N 3.19Å; S323-A326 VanDerWaalsContact O-N 3.09Å; A326-V331 HydrophobicContact CB-CG2 4.08Å
327T82.2Confident77.5Confident53 Ų5360.9 Ų60.933%0.32538%0.379SS..BIsolated β-bridgetrans-77.2148.8173.756.40000110.2A329 A330 V331T327-A329 PolarHBondContact O-N 3.26Å; T327-A330 WeakPolarHBondContact O-CB 3.4Å; T327-A330 PolarHBondContact O-N 3.2Å; T327-A330 WeakPolarHBondContact OG1-CB 3.39Å; T327-A330 PolarHBondContact OG1-N 3.2Å; T327-V331 PolarHBondContact O-N 2.81Å
328F79.7Confident78Confident17 Ų1756.7 Ų56.78%0.07536%0.359CS..Hα-helixtrans-53-38176.5-174.5-104.5000112.1A262 A264 V283 L285 I288 A330 V331 G332A262-F328 HydrophobicContact CB-CD1 4.29Å; A262-F328 HydrophobicContact CB-CE1 3.81Å; A264-F328 HydrophobicContact CB-CD2 4.43Å; A264-F328 HydrophobicContact CB-CE2 3.63Å; A264-F328 HydrophobicContact CB-CZ 4.08Å; V283-F328 PolarHBondContact O-N 2.81Å; L285-F328 HydrophobicContact CD2-CD2 4.45Å; I288-F328 HydrophobicContact CD1-CB 3.89Å; I288-F328 HydrophobicContact CD1-CD2 3.5Å; I288-F328 VanDerWaalsContact CD1-CD2 3.5Å; I288-F328 HydrophobicContact CD1-CE2 4.33Å; I288-F328 HydrophobicContact CD1-CG 3.94Å; F328-A330 PolarHBondContact O-N 3.09Å; F328-V331 PolarHBondContact O-N 2.95Å; F328-G332 PolarHBondContact O-N 3.47Å
329A76Confident78.4Confident63 Ų6352.8 Ų52.852%0.52133%0.334SS..Hα-helixtrans-61.6-38.7173.700000114.2P281 T327 V331 G332P281-A329 HydrophobicContact CB-CB 4.22Å; P281-A329 WeakPolarHBondContact O-CB 3.35Å; P281-A329 PolarHBondContact O-N 2.96Å; T327-A329 PolarHBondContact O-N 3.26Å; A329-V331 VanDerWaalsContact C-N 3.3Å; A329-V331 PolarHBondContact O-N 2.92Å; A329-G332 PolarHBondContact O-N 2.86Å
330A76.9Confident78.9Confident77 Ų7755.3 Ų55.364%0.63633%0.325SS*.Hα-helixtrans-70.7-27.4-178.200000112.8T327 F328T327-A330 WeakPolarHBondContact O-CB 3.4Å; T327-A330 PolarHBondContact O-N 3.2Å; T327-A330 WeakPolarHBondContact OG1-CB 3.39Å; T327-A330 PolarHBondContact OG1-N 3.2Å; F328-A330 PolarHBondContact O-N 3.09Å
331V76Confident78.7Confident19 Ų1954.2 Ų54.212%0.11532%0.318CS..Hα-helixtrans-79.8-30.5-179.4-177.60000111.2L285 K314 L322 A326 T327 F328 A329 C333L285-V331 HydrophobicContact CD1-CG2 3.72Å; L285-V331 HydrophobicContact CD2-CG2 4.39Å; L285-V331 HydrophobicContact CG-CG2 4.16Å; K314-V331 HydrophobicContact CG-CG1 4.45Å; L322-V331 HydrophobicContact CD1-CG1 4.01Å; L322-V331 HydrophobicContact CD2-CG1 3.78Å; L322-V331 HydrophobicContact CD2-CG2 4.3Å; A326-V331 HydrophobicContact CB-CG2 4.08Å; T327-V331 PolarHBondContact O-N 2.81Å; F328-V331 PolarHBondContact O-N 2.95Å; A329-V331 VanDerWaalsContact C-N 3.3Å; A329-V331 PolarHBondContact O-N 2.92Å; V331-C333 HydrophobicContact CG1-CB 4.03Å; V331-C333 PolarHBondContact O-N 2.88Å; V331-C333 VanDerWaalsContact O-N 3.08Å; V331-C333 PolarHBondContact O-SG 3.23Å; V331-C333 VanDerWaalsContact O-SG 3.32Å
332G72.8Confident78.3Confident68 Ų6856.9 Ų56.970%0.70134%0.336SS*.  trans60.219.2176.700000114.4F328 A329F328-G332 PolarHBondContact O-N 3.47Å; A329-G332 PolarHBondContact O-N 2.86Å
333C69.8Low77.9Confident33 Ų3358.3 Ų58.322%0.22335%0.348CS..  trans-121.4122.6-179-62.30000109.9V331V331-C333 HydrophobicContact CG1-CB 4.03Å; V331-C333 PolarHBondContact O-N 2.88Å; V331-C333 VanDerWaalsContact O-N 3.08Å; V331-C333 PolarHBondContact O-SG 3.23Å; V331-C333 VanDerWaalsContact O-SG 3.32Å
334E75.4Confident77.2Confident138 Ų13859.9 Ų59.965%0.64536%0.359SS*.SBendtrans-79.8-21.2177.1-62.3178.8168.900112.3I265I265-E334 PolarHBondContact N-O 2.78Å
335E81.6Confident76.6Confident63 Ų6360.5 Ų60.529%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-108117-179.2-63178.1165.600111.4I265 F315I265-E335 HydrophobicContact CB-CG 4.42Å; I265-E335 HydrophobicContact CD1-CG 4.42Å; F315-E335 HydrophobicContact CB-CB 3.64Å; F315-E335 WeakPolarHBondContact CB-O 3.11Å; F315-E335 WeakPolarHBondContact CD1-OE2 3.17Å; F315-E335 HydrophobicContact CG-CB 4.2Å; F315-E335 PolarHBondContact N-O 2.91Å
336L82.9Confident75.6Confident0 Ų064 Ų640%036%0.362CS..EExtended strand (participates in β ladder)trans-117.1149.1179.9-59.4176.4000110.4I265 V266 H267 L285 I288 L312 L322I265-L336 PolarHBondContact O-N 2.97Å; V266-L336 WeakPolarHBondContact CA-O 3.08Å; V266-L336 HydrophobicContact CG2-CB 4.49Å; H267-L336 PolarHBondContact N-O 3.19Å; L285-L336 HydrophobicContact CD2-CD1 3.92Å; I288-L336 HydrophobicContact CG2-CD1 4.28Å; L312-L336 HydrophobicContact CD1-CD1 4.47Å; L312-L336 HydrophobicContact CD2-CB 4.48Å; L322-L336 HydrophobicContact CD1-CD2 3.55Å
337Y83.9Confident74.3Confident3 Ų371.8 Ų71.81%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-115.7122.6176.1-161.6-91.2000109.3H267 L312 E313 F315 L339 R345H267-Y337 HydrophobicContact CB-CD2 3.49Å; H267-Y337 VanDerWaalsContact CB-CD2 3.49Å; H267-Y337 HydrophobicContact CB-CE2 3.87Å; H267-Y337 HydrophobicContact CB-CG 4.39Å; L312-Y337 CarbonylContact C-O 3.58Å; L312-Y337 WeakPolarHBondContact CA-O 3.41Å; E313-Y337 PolarHBondContact N-O 2.89Å; E313-Y337 PolarHBondContact O-N 2.98Å; F315-Y337 HydrophobicContact CD2-CD2 4.33Å; Y337-L339 HydrophobicContact CD1-CD1 3.6Å; Y337-L339 HydrophobicContact CD1-CD2 4.29Å; Y337-L339 HydrophobicContact CD1-CG 3.57Å; Y337-L339 HydrophobicContact CE1-CD1 3.93Å; Y337-L339 HydrophobicContact CE1-CD2 3.78Å; Y337-L339 HydrophobicContact CE1-CG 3.56Å; Y337-R345 HydrophobicContact CD1-CG 4.27Å; Y337-R345 HydrophobicContact CE1-CB 4.31Å; Y337-R345 HydrophobicContact CE1-CG 3.71Å
338C83.4Confident72.6Confident0 Ų074 Ų740%040%0.403CS..EExtended strand (participates in β ladder)trans-100.7111.1-177-163.20000109.7V266 H267 F268 Y310 K311 L312V266-C338 HydrophobicContact CG1-CB 3.54Å; H267-C338 PolarHBondContact O-N 3Å; F268-C338 HydrophobicContact CD1-CB 4.17Å; F268-C338 HydrophobicContact CE1-CB 4.02Å; F268-C338 HydrophobicContact CZ-CB 4.34Å; Y310-C338 VanDerWaalsContact CB-SG 3.53Å; K311-C338 CarbonylContact O-C 3.59Å; K311-C338 WeakPolarHBondContact O-CA 3.14Å; L312-C338 HydrophobicContact CD2-CB 4.09Å
339L81.2Confident70.7Confident6 Ų683.8 Ų83.83%0.03144%0.44CS..EExtended strand (participates in β ladder)trans-107.4135.5-177.1-85.1147.5000110.9Y310 K311 E313 Y337 R345Y310-L339 CarbonylContact C-O 3.47Å; Y310-L339 VanDerWaalsContact CA-O 3.24Å; Y310-L339 WeakPolarHBondContact CA-O 3.49Å; K311-L339 PolarHBondContact N-O 2.85Å; K311-L339 PolarHBondContact O-N 3.01Å; E313-L339 HydrophobicContact CB-CD1 4.43Å; E313-L339 HydrophobicContact CG-CD1 3.75Å; E313-L339 WeakPolarHBondContact OE1-CD1 3.48Å; E313-L339 VanDerWaalsContact OE2-CD1 3.29Å; E313-L339 WeakPolarHBondContact OE2-CD1 3.34Å; Y337-L339 HydrophobicContact CD1-CD1 3.6Å; Y337-L339 HydrophobicContact CD1-CD2 4.29Å; Y337-L339 HydrophobicContact CD1-CG 3.57Å; Y337-L339 HydrophobicContact CE1-CD1 3.93Å; Y337-L339 HydrophobicContact CE1-CD2 3.78Å; Y337-L339 HydrophobicContact CE1-CG 3.56Å; L339-R345 HydrophobicContact CD1-CB 4.38Å; L339-R345 HydrophobicContact CD2-CB 4.22Å
340R80.6Confident68.9Low110 Ų11086.2 Ų86.242%0.41545%0.45SS..EExtended strand (participates in β ladder)trans-66.3137.6169.3175.6176.5167.5168-2.7109.8L308 Y310 N342 S343L308-R340 HydrophobicContact CB-CG 4.26Å; Y310-R340 HydrophobicContact CD1-CB 4.37Å; Y310-R340 HydrophobicContact CE1-CB 4.13Å; R340-N342 PolarHBondContact O-N 3.36Å; R340-S343 VanDerWaalsContact O-CB 3.3Å; R340-S343 WeakPolarHBondContact O-CB 3.48Å; R340-S343 PolarHBondContact O-N 2.92Å
341E73.5Confident67Low71 Ų7189.3 Ų89.333%0.33246%0.456SS..THydrogen-bonded Turntrans-51.8135174.4-77.5-171.5173.600110.8N309 K311 S343N309-E341 HydrophobicContact CB-CB 4.36Å; N309-E341 HydrophobicContact CB-CG 3.66Å; N309-E341 WeakPolarHBondContact CB-OE1 3.49Å; N309-E341 WeakPolarHBondContact CB-OE2 3.5Å; N309-E341 PolarHBondContact ND2-OE2 3.47Å; N309-E341 VanDerWaalsContact ND2-OE2 3.12Å; N309-E341 WeakPolarHBondContact O-CG 3.34Å; N309-E341 PolarHBondContact O-N 3.46Å; K311-E341 HydrophobicContact CD-CG 4.21Å; K311-E341 HydrophobicContact CG-CG 4Å; E341-S343 VanDerWaalsContact C-N 3.26Å; E341-S343 PolarHBondContact O-N 3.47Å
342N69.2Low65.1Low170 Ų17095.5 Ų95.591%0.90949%0.493SS*.THydrogen-bonded Turntrans66.714.4-175.3-49.6-41.4000116R340R340-N342 PolarHBondContact O-N 3.36Å
343S69.9Low63.4Low53 Ų5394.5 Ų94.537%0.37148%0.483SS..  trans-106.5141.1173-55.60000110.9R340 E341R340-S343 VanDerWaalsContact O-CB 3.3Å; R340-S343 WeakPolarHBondContact O-CB 3.48Å; R340-S343 PolarHBondContact O-N 2.92Å; E341-S343 VanDerWaalsContact C-N 3.26Å; E341-S343 PolarHBondContact O-N 3.47Å
344S66Low62Low111 Ų111102 Ų10278%0.77651%0.507SS*.  trans-93.3144.4174.147.90000111.1R346S344-R346 PolarHBondContact O-N 3.47Å; S344-R346 VanDerWaalsContact O-N 3.12Å
345R65.9Low60.1Low68 Ų6898.9 Ų98.926%0.25750%0.498SS..  trans-59.5115.8176.9-173.7169.4-176.8-172.9-2.8109.4F315 Y337 L339 Q347F315-R345 PolarHBondContact O-NH1 3.26Å; F315-R345 PolarHBondContact O-NH2 2.92Å; Y337-R345 HydrophobicContact CD1-CG 4.27Å; Y337-R345 HydrophobicContact CE1-CB 4.31Å; Y337-R345 HydrophobicContact CE1-CG 3.71Å; L339-R345 HydrophobicContact CD1-CB 4.38Å; L339-R345 HydrophobicContact CD2-CB 4.22Å; R345-Q347 PolarHBondContact O-N 2.98Å
346R60Low57.9Low192 Ų19299.6 Ų99.673%0.72551%0.511SS*.  trans-62.2127.1167.9-69-171.8176.9-162.2-0.2107.2S344 N348S344-R346 PolarHBondContact O-N 3.47Å; S344-R346 VanDerWaalsContact O-N 3.12Å; R346-N348 PolarHBondContact O-N 3.35Å
347Q53.3Low55.9Low192 Ų192102 Ų10290%0.89752%0.521SS*.  trans-60.392.5169.9-85.8180-8.800108.1R345 R349R345-Q347 PolarHBondContact O-N 2.98Å; Q347-R349 VanDerWaalsContact C-N 3.29Å; Q347-R349 PolarHBondContact O-N 3.19Å
348N46.5Very low53.9Low99 Ų99106.2 Ų106.253%0.52955%0.547SS..  trans-66.797.9165.3-85.9-10.6000106R346 P350R346-N348 PolarHBondContact O-N 3.35Å; N348-P350 WeakPolarHBondContact O-CD 3.45Å
349R39.4Very low51.8Low224 Ų224109.9 Ų109.985%0.84557%0.573SS**  trans-52.4123.2152.7-77.8-176.9174.3173.3-1.3105.4Q347 D351Q347-R349 VanDerWaalsContact C-N 3.29Å; Q347-R349 PolarHBondContact O-N 3.19Å; R349-D351 PolarHBondContact O-N 3.03Å
350P38.8Very low49.9Very low114 Ų114113.7 Ų113.774%0.7459%0.593SS**  trans-59.5109.9170.424.6-30000105.6N348 V352N348-P350 WeakPolarHBondContact O-CD 3.45Å; P350-V352 PolarHBondContact O-N 3.02Å
351D37.4Very low48Very low141 Ų141114.7 Ų114.775%0.75460%0.597SS**  trans-62.7108.7174.3-130.1-5.5000105.7R349 G353 R354R349-D351 PolarHBondContact O-N 3.03Å; D351-G353 PolarHBondContact O-N 3.43Å; D351-R354 PolarHBondContact O-N 3.11Å
352V35.8Very low46.2Very low149 Ų149119.8 Ų119.890%0.90362%0.621SS**THydrogen-bonded Turntrans-63.584.9-179.2-1800000106.8P350P350-V352 PolarHBondContact O-N 3.02Å
353G36.7Very low44.5Very low48 Ų48117.5 Ų117.550%0.49561%0.613SS.*THydrogen-bonded Turntrans159.7-17.1-173.700000116.2D351 P355D351-G353 PolarHBondContact O-N 3.43Å; G353-P355 WeakPolarHBondContact O-CD 3.32Å
354R40.9Very low43.1Very low191 Ų191119 Ų11972%0.72162%0.624SS**  trans-88115.5171.3-108.4-178.2-179.1-168.91.2110.1D351 S356D351-R354 PolarHBondContact O-N 3.11Å; R354-S356 PolarHBondContact O-N 2.61Å
355P35.8Very low42.2Very low71 Ų71118.8 Ų118.846%0.46162%0.62SS.*  trans-60136.5171.924.2-30.4000109.2G353 F357G353-P355 WeakPolarHBondContact O-CD 3.32Å; P355-F357 PolarHBondContact O-N 3.48Å
356S35.3Very low41.7Very low79 Ų79118.9 Ų118.955%0.55263%0.628SS**  trans-55.7131.6176.353.40000109.5R354 V358 S359R354-S356 PolarHBondContact O-N 2.61Å; S356-V358 PolarHBondContact O-N 3.37Å; S356-S359 PolarHBondContact O-N 2.95Å; S356-S359 PolarHBondContact O-OG 3.41Å
357F40.7Very low41.8Very low50 Ų50113.7 Ų113.722%0.21962%0.615CS.*G310 helixtrans-53.2-25.9179.1-176.6-97.5000112.4L275 P355 S359 L360 Y361L275-F357 HydrophobicContact CB-CE1 3.92Å; L275-F357 HydrophobicContact CB-CZ 4.12Å; L275-F357 HydrophobicContact CD1-CE1 3.7Å; L275-F357 HydrophobicContact CD1-CZ 4.49Å; L275-F357 HydrophobicContact CG-CE1 4.45Å; P355-F357 PolarHBondContact O-N 3.48Å; F357-S359 PolarHBondContact O-N 3.48Å; F357-L360 PolarHBondContact O-N 2.8Å; F357-L360 VanDerWaalsContact O-N 3.12Å; F357-Y361 HydrophobicContact CD1-CD2 4.07Å; F357-Y361 AromaticContact CD1-CE2 3.68Å; F357-Y361 HydrophobicContact CD1-CE2 3.68Å; F357-Y361 AromaticContact CD2-CE2 3.74Å; F357-Y361 HydrophobicContact CD2-CE2 3.74Å; F357-Y361 AromaticContact CE1-CD2 3.83Å; F357-Y361 HydrophobicContact CE1-CD2 3.83Å; F357-Y361 AromaticContact CE1-CE2 3.26Å; F357-Y361 HydrophobicContact CE1-CE2 3.26Å; F357-Y361 AromaticContact CE1-CZ 3.85Å; F357-Y361 AromaticContact CE2-CE2 3.33Å; F357-Y361 HydrophobicContact CE2-CE2 3.33Å; F357-Y361 AromaticContact CE2-CZ 3.6Å; F357-Y361 WeakPolarHBondContact CE2-OH 3.13Å; F357-Y361 AromaticContact CG-CE2 3.92Å; F357-Y361 HydrophobicContact CG-CE2 3.92Å; F357-Y361 HydrophobicContact CZ-CD2 4.1Å; F357-Y361 HydrophobicContact CZ-CE1 4.41Å; F357-Y361 AromaticContact CZ-CE2 3.09Å; F357-Y361 HydrophobicContact CZ-CE2 3.09Å; F357-Y361 AromaticContact CZ-CZ 3.27Å; F357-Y361 WeakPolarHBondContact CZ-OH 3.49Å; F357-Y361 WeakPolarHBondContact O-CD2 3.38Å
358V41.2Very low42.8Very low91 Ų91106.4 Ų106.455%0.55258%0.579SS**G310 helixtrans-61.2-24.3176.5-173.30000113.3I265 S356 L360I265-V358 HydrophobicContact CD1-CG2 4.33Å; S356-V358 PolarHBondContact O-N 3.37Å; V358-L360 VanDerWaalsContact C-N 3.33Å; V358-L360 PolarHBondContact O-N 3.12Å
359S39.4Very low44.5Very low77 Ų77105.2 Ų105.254%0.53858%0.575SS.*G310 helixtrans-80.9-5.8176.465.20000115S356 F357S356-S359 PolarHBondContact O-N 2.95Å; S356-S359 PolarHBondContact O-OG 3.41Å; F357-S359 PolarHBondContact O-N 3.48Å
360L41.6Very low46.7Very low87 Ų8796.1 Ų96.146%0.45554%0.542SS..G310 helixtrans-101.7-2.1-169.3-70.9166.6000114.9F357 V358F357-L360 PolarHBondContact O-N 2.8Å; F357-L360 VanDerWaalsContact O-N 3.12Å; V358-L360 VanDerWaalsContact C-N 3.33Å; V358-L360 PolarHBondContact O-N 3.12Å
361Y41Very low48.8Very low130 Ų13098 Ų9851%0.5154%0.541SS..SBendtrans-122.42.1-170.3-68.8-84.6000115.6F357 T363F357-Y361 HydrophobicContact CD1-CD2 4.07Å; F357-Y361 AromaticContact CD1-CE2 3.68Å; F357-Y361 HydrophobicContact CD1-CE2 3.68Å; F357-Y361 AromaticContact CD2-CE2 3.74Å; F357-Y361 HydrophobicContact CD2-CE2 3.74Å; F357-Y361 AromaticContact CE1-CD2 3.83Å; F357-Y361 HydrophobicContact CE1-CD2 3.83Å; F357-Y361 AromaticContact CE1-CE2 3.26Å; F357-Y361 HydrophobicContact CE1-CE2 3.26Å; F357-Y361 AromaticContact CE1-CZ 3.85Å; F357-Y361 AromaticContact CE2-CE2 3.33Å; F357-Y361 HydrophobicContact CE2-CE2 3.33Å; F357-Y361 AromaticContact CE2-CZ 3.6Å; F357-Y361 WeakPolarHBondContact CE2-OH 3.13Å; F357-Y361 AromaticContact CG-CE2 3.92Å; F357-Y361 HydrophobicContact CG-CE2 3.92Å; F357-Y361 HydrophobicContact CZ-CD2 4.1Å; F357-Y361 HydrophobicContact CZ-CE1 4.41Å; F357-Y361 AromaticContact CZ-CE2 3.09Å; F357-Y361 HydrophobicContact CZ-CE2 3.09Å; F357-Y361 AromaticContact CZ-CZ 3.27Å; F357-Y361 WeakPolarHBondContact CZ-OH 3.49Å; F357-Y361 WeakPolarHBondContact O-CD2 3.38Å; Y361-T363 PolarHBondContact O-N 2.95Å
362E35.8Very low51.1Low178 Ų17891.6 Ų91.683%0.83251%0.507SS*.SBendtrans-99.561.6177.9-109.8176.4175.900111.4
363T33.5Very low53.5Low122 Ų12286.6 Ų86.675%0.74848%0.477SS*.SBendtrans-179149.8151.217.90000110.2Y361Y361-T363 PolarHBondContact O-N 2.95Å
364S39.8Very low55.8Low86 Ų8684.4 Ų84.460%0.60145%0.454SS*.SBendtrans-35.4166.6171.855.40000116.5V366S364-V366 PolarHBondContact O-N 3.43Å
365P47.5Very low57.8Low106 Ų10677 Ų7769%0.68843%0.43SS*.THydrogen-bonded Turntrans-49.697.8-141.432.1-36.5000115.1D367P365-D367 PolarHBondContact O-N 2.88Å
366V54.7Low59.6Low69 Ų6977.9 Ų77.942%0.41843%0.426SS..THydrogen-bonded Turntrans45.361162.8-159.70000114.6S364 Y368 S389 P390S364-V366 PolarHBondContact O-N 3.43Å; V366-Y368 HydrophobicContact CG1-CD2 3.87Å; V366-Y368 HydrophobicContact CG1-CE1 4.07Å; V366-Y368 HydrophobicContact CG1-CE2 3.22Å; V366-Y368 WeakPolarHBondContact CG1-OH 3.44Å; V366-S389 WeakPolarHBondContact O-CA 3.31Å; V366-P390 HydrophobicContact CB-CG 4.41Å; V366-P390 WeakPolarHBondContact O-CD 3.45Å
367D62.3Low61Low84 Ų8484.9 Ų84.945%0.44944%0.441SS..  trans-89.5100.7162.8-76.9-23.4000109.2P365 V369 S389P365-D367 PolarHBondContact O-N 2.88Å; D367-V369 PolarHBondContact O-N 2.97Å; D367-S389 WeakPolarHBondContact OD1-CB 3.34Å
368Y75.3Confident62.1Low38 Ų3890 Ų9015%0.14947%0.469CS..EExtended strand (participates in β ladder)trans-77.8118.7170.9-60.3-73.9000109.8V366 F370 H387 I388 A476 R479V366-Y368 HydrophobicContact CG1-CD2 3.87Å; V366-Y368 HydrophobicContact CG1-CE1 4.07Å; V366-Y368 HydrophobicContact CG1-CE2 3.22Å; V366-Y368 WeakPolarHBondContact CG1-OH 3.44Å; Y368-F370 HydrophobicContact CG-CE2 4.4Å; Y368-H387 CarbonylContact O-C 3.54Å; Y368-H387 VanDerWaalsContact O-CA 3.3Å; Y368-H387 WeakPolarHBondContact O-CA 3.34Å; Y368-I388 PolarHBondContact N-O 3.07Å; Y368-I388 PolarHBondContact O-N 2.66Å; Y368-A476 HydrophobicContact CD1-CB 4.37Å; Y368-A476 HydrophobicContact CD2-CB 3.56Å; Y368-A476 HydrophobicContact CE2-CB 4.07Å; Y368-A476 HydrophobicContact CG-CB 3.72Å; Y368-R479 HydrophobicContact CE2-CB 4.36Å; Y368-R479 WeakPolarHBondContact OH-CD 3.42Å; Y368-R479 PolarHBondContact OH-NH1 2.97Å
369V82.7Confident63.2Low74 Ų7496.2 Ų96.245%0.44848%0.483SS..EExtended strand (participates in β ladder)trans-107124.2179.2-170.70000110.3D367 E385 L386 H387D367-V369 PolarHBondContact O-N 2.97Å; V369-E385 HydrophobicContact CG1-CB 4.15Å; V369-E385 HydrophobicContact CG1-CG 4.29Å; V369-L386 CarbonylContact C-O 3.55Å; V369-L386 WeakPolarHBondContact CA-O 3.39Å; V369-H387 WeakPolarHBondContact CG2-ND1 3.34Å
370F84.7Confident64.7Low34 Ų3495.3 Ų95.315%0.14947%0.472CS..EExtended strand (participates in β ladder)trans-125.7133.5178-60.5-80.8000110.9Y368 V372 E385 L386 I388 N472 I473 A476Y368-F370 HydrophobicContact CG-CE2 4.4Å; F370-V372 HydrophobicContact CB-CG1 4.08Å; F370-V372 PolarHBondContact O-N 3.03Å; F370-E385 CarbonylContact O-C 3.35Å; F370-E385 WeakPolarHBondContact O-CA 3.06Å; F370-L386 HydrophobicContact CB-CB 4.41Å; F370-L386 PolarHBondContact N-O 3.15Å; F370-L386 PolarHBondContact O-N 3.5Å; F370-I388 HydrophobicContact CD2-CD1 4.11Å; F370-I388 HydrophobicContact CE2-CD1 3.96Å; F370-N472 HydrophobicContact CE1-CB 3.76Å; F370-N472 HydrophobicContact CZ-CB 4.27Å; F370-I473 HydrophobicContact CB-CD1 4.03Å; F370-I473 HydrophobicContact CB-CG1 4.05Å; F370-I473 HydrophobicContact CD1-CD1 4.39Å; F370-I473 HydrophobicContact CD1-CG1 3.69Å; F370-I473 HydrophobicContact CD2-CD1 4.45Å; F370-I473 HydrophobicContact CD2-CG1 3.63Å; F370-I473 HydrophobicContact CE1-CG1 3.98Å; F370-I473 HydrophobicContact CE2-CG1 3.88Å; F370-I473 HydrophobicContact CG-CD1 4.04Å; F370-I473 HydrophobicContact CG-CG1 3.5Å; F370-I473 HydrophobicContact CZ-CG1 4.06Å; F370-A476 HydrophobicContact CE2-CB 3.65Å; F370-A476 HydrophobicContact CZ-CB 3.88Å
371Q83.4Confident66.4Low152 Ų15297.9 Ų97.971%0.7148%0.479SS*.EExtended strand (participates in β ladder)trans-75124.7167.6-70.1-172.2-300109.9E385Q371-E385 HydrophobicContact CG-CG 4.4Å
372V86.2Confident68.1Low7 Ų792.7 Ų92.74%0.04246%0.462CS..EExtended strand (participates in β ladder)trans-138159.8-174.6-58.90000111.8F370 V374 A384 L386 I463 V465 I473F370-V372 HydrophobicContact CB-CG1 4.08Å; F370-V372 PolarHBondContact O-N 3.03Å; V372-V374 HydrophobicContact CG2-CG2 4.43Å; V372-A384 HydrophobicContact CG2-CB 4.35Å; V372-A384 WeakPolarHBondContact CG2-O 3.43Å; V372-A384 PolarHBondContact N-O 2.8Å; V372-A384 PolarHBondContact O-N 2.91Å; V372-L386 HydrophobicContact CG1-CB 3.88Å; V372-L386 HydrophobicContact CG1-CD2 4.26Å; V372-L386 HydrophobicContact CG2-CB 3.8Å; V372-I463 HydrophobicContact CB-CG2 3.37Å; V372-I463 HydrophobicContact CG1-CG2 3.78Å; V372-I463 HydrophobicContact CG2-CG2 3.59Å; V372-V465 HydrophobicContact CB-CG2 4.25Å; V372-V465 HydrophobicContact CG1-CG2 3.82Å; V372-I473 HydrophobicContact CG1-CD1 3.99Å
373T85.7Confident70.2Confident44 Ų4487.7 Ų87.727%0.2745%0.446SS..EExtended strand (participates in β ladder)trans-107.2113.5172.5-58.60000109.9K381 C382 R464T373-K381 HydrophobicContact CG2-CB 3.83Å; T373-K381 HydrophobicContact CG2-CD 4.43Å; T373-K381 HydrophobicContact CG2-CG 4.24Å; T373-C382 CarbonylContact C-O 3.41Å; T373-C382 WeakPolarHBondContact CA-O 2.89Å; T373-R464 PolarHBondContact N-O 3.4Å; T373-R464 PolarHBondContact O-N 3.48Å
374V84.5Confident72.6Confident2 Ų282 Ų821%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-85129.3175.9-179.70000109.5V372 C382 A384 V395 L422 V461 I463V372-V374 HydrophobicContact CG2-CG2 4.43Å; V374-C382 PolarHBondContact N-O 2.55Å; V374-C382 PolarHBondContact O-N 2.52Å; V374-C382 PolarHBondContact O-SG 2.95Å; V374-A384 HydrophobicContact CG2-CB 3.82Å; V374-V395 HydrophobicContact CG2-CG1 3.56Å; V374-L422 HydrophobicContact CB-CD1 3.9Å; V374-L422 HydrophobicContact CG1-CD1 3.95Å; V374-L422 HydrophobicContact CG2-CD1 4.01Å; V374-V461 HydrophobicContact CG1-CG1 3.89Å; V374-I463 HydrophobicContact CG2-CG1 4.46Å
375V83.3Confident74.8Confident36 Ų3680.8 Ų80.822%0.21840%0.396CS..EExtended strand (participates in β ladder)trans-107.2114.1179.3-175.70000108.6L380 D462 R464V375-L380 WeakPolarHBondContact CA-O 3.17Å; V375-D462 HydrophobicContact CB-CB 4.42Å; V375-D462 PolarHBondContact N-O 3.48Å; V375-R464 HydrophobicContact CG2-CB 4.14Å
376K73.7Confident76.6Confident89 Ų8975.9 Ų75.939%0.38736%0.364SS..  trans-92168175.1-81.4-158.3174.9178.90112.5L378 R379 L380 A421K376-L378 PolarHBondContact O-N 3.41Å; K376-R379 PolarHBondContact O-N 3.12Å; K376-L380 PolarHBondContact N-O 3.3Å; K376-A421 HydrophobicContact CD-CB 4.42Å; K376-A421 WeakPolarHBondContact CD-O 2.99Å; K376-A421 WeakPolarHBondContact CE-O 3.14Å; K376-A421 PolarHBondContact NZ-O 3.47Å
377R64.6Low78.1Confident226 Ų22674.6 Ų74.685%0.85335%0.353SS*.THydrogen-bonded Turntrans-48.7137165-67.1-175177.5179.9-0.3108.3
378L62.9Low79.2Confident158 Ų15870.6 Ų70.683%0.82733%0.332SS*.THydrogen-bonded Turntrans80.113.1-167.9-48.8170.5000116.5K376 L380K376-L378 PolarHBondContact O-N 3.41Å; L378-L380 HydrophobicContact CB-CG 4.44Å; L378-L380 PolarHBondContact O-N 2.85Å; L378-L380 VanDerWaalsContact O-N 3.15Å
379R65.4Low79.4Confident222 Ų22269.2 Ų69.284%0.83833%0.328SS*.SBendtrans61.219.3176.4-57.3-178.3175179.2-0114.5K376 K381K376-R379 PolarHBondContact O-N 3.12Å; R379-K381 PolarHBondContact O-N 3.36Å
380L71Confident79.1Confident58 Ų5868.6 Ų68.630%0.30433%0.325SS..  trans-67.5124.2171.5-64.7167.6000108.8V375 K376 L378 P419 A421V375-L380 WeakPolarHBondContact CA-O 3.17Å; K376-L380 PolarHBondContact N-O 3.3Å; L378-L380 HydrophobicContact CB-CG 4.44Å; L378-L380 PolarHBondContact O-N 2.85Å; L378-L380 VanDerWaalsContact O-N 3.15Å; L380-P419 HydrophobicContact CD1-CB 4.17Å; L380-P419 HydrophobicContact CD1-CG 3.46Å; L380-P419 VanDerWaalsContact CD1-CG 3.46Å; L380-P419 HydrophobicContact CD2-CG 3.97Å; L380-P419 HydrophobicContact CG-CG 4.37Å; L380-A421 HydrophobicContact CB-CB 4.06Å
381K77.3Confident78.7Confident140 Ų14070.6 Ų70.661%0.60934%0.344SS*.EExtended strand (participates in β ladder)trans-100.2133.3177.6-62.7-178.9-176.1177.70108.7T373 R379T373-K381 HydrophobicContact CG2-CB 3.83Å; T373-K381 HydrophobicContact CG2-CD 4.43Å; T373-K381 HydrophobicContact CG2-CG 4.24Å; R379-K381 PolarHBondContact O-N 3.36Å
382C75.7Confident78.7Confident21 Ų2165.6 Ų65.614%0.14232%0.323CS..EExtended strand (participates in β ladder)trans-132.9136.8172.549.90000110T373 V374 A421 L422T373-C382 CarbonylContact C-O 3.41Å; T373-C382 WeakPolarHBondContact CA-O 2.89Å; V374-C382 PolarHBondContact N-O 2.55Å; V374-C382 PolarHBondContact O-N 2.52Å; V374-C382 PolarHBondContact O-SG 2.95Å; C382-A421 HydrophobicContact CB-CB 4.2Å; C382-L422 WeakPolarHBondContact SG-CD1 3.04Å
383C80.9Confident78.7Confident73 Ų7365.3 Ų65.349%0.49332%0.322SS..EExtended strand (participates in β ladder)trans-74.1134.2171.9-59.90000108.6T398C383-T398 VanDerWaalsContact C-OG1 3.28Å; C383-T398 WeakPolarHBondContact CB-OG1 3.32Å; C383-T398 PolarHBondContact O-N 3.29Å; C383-T398 VanDerWaalsContact O-N 3.07Å; C383-T398 PolarHBondContact O-OG1 3.48Å
384A83.3Confident78.6Confident2 Ų263.9 Ų63.92%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-146.8159.2179.600000110.2V372 V374 V395 M396V372-A384 HydrophobicContact CG2-CB 4.35Å; V372-A384 WeakPolarHBondContact CG2-O 3.43Å; V372-A384 PolarHBondContact N-O 2.8Å; V372-A384 PolarHBondContact O-N 2.91Å; V374-A384 HydrophobicContact CG2-CB 3.82Å; A384-V395 HydrophobicContact CB-CG1 3.8Å; A384-M396 CarbonylContact C-O 3.5Å; A384-M396 WeakPolarHBondContact CA-O 3.37Å; A384-M396 VanDerWaalsContact CB-O 3.24Å; A384-M396 WeakPolarHBondContact CB-O 3.24Å
385E84.9Confident78.6Confident62 Ų6263.8 Ų63.829%0.2931%0.312SS..EExtended strand (participates in β ladder)trans-98.9124.3167.9-77166.3-172.700108.7V369 F370 Q371 H387 V395 M396 T398V369-E385 HydrophobicContact CG1-CB 4.15Å; V369-E385 HydrophobicContact CG1-CG 4.29Å; F370-E385 CarbonylContact O-C 3.35Å; F370-E385 WeakPolarHBondContact O-CA 3.06Å; Q371-E385 HydrophobicContact CG-CG 4.4Å; E385-H387 IonicContact OE2-NE2 3.27Å; E385-V395 CarbonylContact O-C 3.55Å; E385-V395 WeakPolarHBondContact O-CA 3.3Å; E385-M396 HydrophobicContact CB-CB 4.4Å; E385-M396 PolarHBondContact N-O 3Å; E385-M396 PolarHBondContact O-N 2.9Å; E385-T398 HydrophobicContact CB-CG2 4.32Å; E385-T398 HydrophobicContact CG-CG2 3.6Å; E385-T398 WeakPolarHBondContact OE1-CG2 3.11Å
386L86.5Confident78.5Confident2 Ų264.9 Ų64.91%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-93.1111.7172.3174.566.6000108V369 F370 V372 I388 I393 S394 V395 I463 I473 F477V369-L386 CarbonylContact C-O 3.55Å; V369-L386 WeakPolarHBondContact CA-O 3.39Å; F370-L386 HydrophobicContact CB-CB 4.41Å; F370-L386 PolarHBondContact N-O 3.15Å; F370-L386 PolarHBondContact O-N 3.5Å; V372-L386 HydrophobicContact CG1-CB 3.88Å; V372-L386 HydrophobicContact CG1-CD2 4.26Å; V372-L386 HydrophobicContact CG2-CB 3.8Å; L386-I388 HydrophobicContact CD1-CG1 4.33Å; L386-I388 HydrophobicContact CD2-CD1 3.96Å; L386-I388 HydrophobicContact CD2-CG1 4.18Å; L386-I388 HydrophobicContact CG-CD1 4.24Å; L386-I388 HydrophobicContact CG-CG1 3.9Å; L386-I393 HydrophobicContact CD1-CG2 3.85Å; L386-S394 WeakPolarHBondContact CA-O 3.18Å; L386-V395 HydrophobicContact CD1-CG2 3.87Å; L386-I463 HydrophobicContact CD1-CD1 3.99Å; L386-I463 HydrophobicContact CD2-CD1 4.19Å; L386-I473 HydrophobicContact CD2-CD1 4.34Å; L386-I473 HydrophobicContact CD2-CG2 4.24Å; L386-F477 HydrophobicContact CD2-CZ 4.35Å
387H86.1Confident78.8Confident42 Ų4262.9 Ų62.919%0.19431%0.312CS..EExtended strand (participates in β ladder)trans-97.7123.2172.4-57.5-111.2000108.6Y368 V369 E385 I393 S394Y368-H387 CarbonylContact O-C 3.54Å; Y368-H387 VanDerWaalsContact O-CA 3.3Å; Y368-H387 WeakPolarHBondContact O-CA 3.34Å; V369-H387 WeakPolarHBondContact CG2-ND1 3.34Å; E385-H387 IonicContact OE2-NE2 3.27Å; H387-I393 CarbonylContact O-C 3.57Å; H387-I393 WeakPolarHBondContact O-CA 3.44Å; H387-S394 WeakPolarHBondContact CB-OG 3.15Å; H387-S394 PolarHBondContact N-O 2.96Å; H387-S394 PolarHBondContact O-N 2.73Å
388I84.3Confident79.2Confident0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-116.1109.3177.3-52.4176.3000107.2Y368 F370 L386 I393 I473 A476 F477 C480Y368-I388 PolarHBondContact N-O 3.07Å; Y368-I388 PolarHBondContact O-N 2.66Å; F370-I388 HydrophobicContact CD2-CD1 4.11Å; F370-I388 HydrophobicContact CE2-CD1 3.96Å; L386-I388 HydrophobicContact CD1-CG1 4.33Å; L386-I388 HydrophobicContact CD2-CD1 3.96Å; L386-I388 HydrophobicContact CD2-CG1 4.18Å; L386-I388 HydrophobicContact CG-CD1 4.24Å; L386-I388 HydrophobicContact CG-CG1 3.9Å; I388-I393 HydrophobicContact CG2-CG1 4.28Å; I388-I473 HydrophobicContact CD1-CG2 4.23Å; I388-A476 HydrophobicContact CD1-CB 3.88Å; I388-F477 HydrophobicContact CD1-CD1 4.06Å; I388-F477 HydrophobicContact CD1-CD2 4.28Å; I388-F477 HydrophobicContact CD1-CE1 3.77Å; I388-F477 HydrophobicContact CD1-CE2 4.02Å; I388-F477 HydrophobicContact CD1-CG 4.3Å; I388-F477 HydrophobicContact CD1-CZ 3.75Å; I388-F477 HydrophobicContact CG1-CE1 4.17Å; I388-F477 HydrophobicContact CG1-CZ 4.38Å; I388-F477 HydrophobicContact CG2-CD1 4.16Å; I388-F477 HydrophobicContact CG2-CE1 4.29Å; I388-C480 HydrophobicContact CG2-CB 4.04Å
389S80.4Confident79.2Confident10 Ų1055.7 Ų55.77%0.0728%0.284CS..  trans-112.9162.617295.70000111V366 D367 S391 V392V366-S389 WeakPolarHBondContact O-CA 3.31Å; D367-S389 WeakPolarHBondContact OD1-CB 3.34Å; S389-S391 PolarHBondContact O-N 3.41Å; S389-S391 VanDerWaalsContact O-N 3.15Å; S389-S391 PolarHBondContact OG-N 3.19Å; S389-S391 PolarHBondContact OG-OG 3.27Å; S389-V392 WeakPolarHBondContact CA-O 3.49Å; S389-V392 WeakPolarHBondContact CB-O 3.36Å; S389-V392 PolarHBondContact N-O 3Å; S389-V392 PolarHBondContact OG-N 2.77Å; S389-V392 PolarHBondContact OG-O 3.12Å
390P76.2Confident78.7Confident60 Ų6050.3 Ų50.339%0.3928%0.278SS..SBendtrans-58.7-26.7177.2-21.631.5000113.4V366 R430V366-P390 HydrophobicContact CB-CG 4.41Å; V366-P390 WeakPolarHBondContact O-CD 3.45Å; P390-R430 WeakPolarHBondContact O-CD 3.48Å
391S77.4Confident77.4Confident77 Ų7754.6 Ų54.654%0.53830%0.299SS..SBendtrans-106.2-31.3-173.6600000113.2S389 R430S389-S391 PolarHBondContact O-N 3.41Å; S389-S391 VanDerWaalsContact O-N 3.15Å; S389-S391 PolarHBondContact OG-N 3.19Å; S389-S391 PolarHBondContact OG-OG 3.27Å; S391-R430 WeakPolarHBondContact O-CB 3.46Å; S391-R430 PolarHBondContact O-N 2.83Å
392V83.1Confident75.6Confident47 Ų4756.2 Ų56.229%0.28531%0.309SS..EExtended strand (participates in β ladder)trans-144.2135.6-169.4-179.90000110.3S389 T427 M428S389-V392 WeakPolarHBondContact CA-O 3.49Å; S389-V392 WeakPolarHBondContact CB-O 3.36Å; S389-V392 PolarHBondContact N-O 3Å; S389-V392 PolarHBondContact OG-N 2.77Å; S389-V392 PolarHBondContact OG-O 3.12Å; V392-T427 HydrophobicContact CG1-CG2 3.3Å; V392-M428 WeakPolarHBondContact CA-O 3.33Å
393I84.9Confident73.7Confident1 Ų164.1 Ų64.11%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-109.1125.1167.9-64.5160.6000107.3L386 H387 I388 M428 V433 F477 V482L386-I393 HydrophobicContact CD1-CG2 3.85Å; H387-I393 CarbonylContact O-C 3.57Å; H387-I393 WeakPolarHBondContact O-CA 3.44Å; I388-I393 HydrophobicContact CG2-CG1 4.28Å; I393-M428 HydrophobicContact CB-CE 4.34Å; I393-M428 HydrophobicContact CG2-CE 3.89Å; I393-M428 PolarHBondContact N-O 3.47Å; I393-M428 WeakPolarHBondContact O-CA 3.34Å; I393-M428 WeakPolarHBondContact O-CB 3.3Å; I393-M428 PolarHBondContact O-N 3.43Å; I393-V433 HydrophobicContact CD1-CG2 4Å; I393-F477 HydrophobicContact CD1-CD1 4.26Å; I393-F477 HydrophobicContact CD1-CE1 3.75Å; I393-F477 HydrophobicContact CG1-CE1 4.4Å; I393-V482 HydrophobicContact CD1-CG2 4.04Å
394S84.5Confident71.4Confident13 Ų1365.8 Ų65.89%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-128.1145.2179.682.50000113L386 H387 M396 I426L386-S394 WeakPolarHBondContact CA-O 3.18Å; H387-S394 WeakPolarHBondContact CB-OG 3.15Å; H387-S394 PolarHBondContact N-O 2.96Å; H387-S394 PolarHBondContact O-N 2.73Å; S394-M396 WeakPolarHBondContact OG-CE 3.01Å; S394-I426 CarbonylContact C-O 3.55Å; S394-I426 VanDerWaalsContact CA-O 3.25Å; S394-I426 WeakPolarHBondContact CA-O 3.42Å
395V85.2Confident69.1Low0 Ų073.1 Ų73.10%039%0.39CS..EExtended strand (participates in β ladder)trans-120.3106.1178.4-177.20000107.8V374 A384 E385 L386 L422 P425 I426 M428 I463V374-V395 HydrophobicContact CG2-CG1 3.56Å; A384-V395 HydrophobicContact CB-CG1 3.8Å; E385-V395 CarbonylContact O-C 3.55Å; E385-V395 WeakPolarHBondContact O-CA 3.3Å; L386-V395 HydrophobicContact CD1-CG2 3.87Å; V395-L422 HydrophobicContact CG1-CD1 4.37Å; V395-P425 WeakPolarHBondContact O-CA 3.19Å; V395-I426 HydrophobicContact CB-CB 4.34Å; V395-I426 PolarHBondContact N-O 3.06Å; V395-I426 PolarHBondContact O-N 2.65Å; V395-M428 HydrophobicContact CG2-CE 4.27Å; V395-I463 HydrophobicContact CG2-CD1 4.28Å
396M81.1Confident67Low59 Ų5978 Ų7829%0.29142%0.417SS..EExtended strand (participates in β ladder)trans-100.6119.8-174.6-64.3-71.4159.300109.6A384 E385 S394 T398 P425A384-M396 CarbonylContact C-O 3.5Å; A384-M396 WeakPolarHBondContact CA-O 3.37Å; A384-M396 VanDerWaalsContact CB-O 3.24Å; A384-M396 WeakPolarHBondContact CB-O 3.24Å; E385-M396 HydrophobicContact CB-CB 4.4Å; E385-M396 PolarHBondContact N-O 3Å; E385-M396 PolarHBondContact O-N 2.9Å; S394-M396 WeakPolarHBondContact OG-CE 3.01Å; M396-T398 PolarHBondContact O-N 2.89Å; M396-P425 HydrophobicContact CE-CB 3.68Å; M396-P425 HydrophobicContact CE-CG 4.42Å; M396-P425 HydrophobicContact SD-CB 3.22Å; M396-P425 WeakPolarHBondContact SD-CB 3.44Å; M396-P425 HydrophobicContact SD-CG 4.03Å
397P79Confident64.4Low48 Ų4881.1 Ų81.131%0.31245%0.449SS..EExtended strand (participates in β ladder)trans-66.7128.2176.626.7-32.3000110.6L422P397-L422 HydrophobicContact CB-CB 3.86Å; P397-L422 WeakPolarHBondContact CB-O 3.23Å; P397-L422 HydrophobicContact CG-CB 4.28Å; P397-L422 WeakPolarHBondContact CG-O 3.06Å
398T72.8Confident62Low43 Ų4390.5 Ų90.526%0.26448%0.483SS..PPolyproline II helixtrans-92.8142.7172.551.70000109.9C383 E385 M396C383-T398 VanDerWaalsContact C-OG1 3.28Å; C383-T398 WeakPolarHBondContact CB-OG1 3.32Å; C383-T398 PolarHBondContact O-N 3.29Å; C383-T398 VanDerWaalsContact O-N 3.07Å; C383-T398 PolarHBondContact O-OG1 3.48Å; E385-T398 HydrophobicContact CB-CG2 4.32Å; E385-T398 HydrophobicContact CG-CG2 3.6Å; E385-T398 WeakPolarHBondContact OE1-CG2 3.11Å; M396-T398 PolarHBondContact O-N 2.89Å
399K63.1Low59.6Low190 Ų19098.4 Ų98.483%0.82652%0.524SS*.PPolyproline II helixtrans-62.4136170.5-67.2-178.3-177.5176.40107.7I401K399-I401 PolarHBondContact O-N 2.69Å; K399-I401 VanDerWaalsContact O-N 3.09Å
400P54.5Low57.6Low109 Ų109102.1 Ų102.171%0.70856%0.555SS**PPolyproline II helixtrans-56.1123.5173.823.4-31.4000108.2E402P400-E402 PolarHBondContact O-N 3.23Å
401I44.5Very low55.8Low147 Ų147107.2 Ų107.275%0.75458%0.577SS**  trans-62.3105.4172.5-60.8169.4000105.7K399 K403K399-I401 PolarHBondContact O-N 2.69Å; K399-I401 VanDerWaalsContact O-N 3.09Å; I401-K403 PolarHBondContact O-N 2.97Å
402E39Very low53.6Low175 Ų175111.4 Ų111.482%0.81859%0.591SS**  trans-60.3105.8169.5-69.6-175.6174.900106.6P400 P404P400-E402 PolarHBondContact O-N 3.23Å; E402-P404 WeakPolarHBondContact O-CD 3.32Å
403K36.3Very low51.3Low187 Ų187112.4 Ų112.481%0.81360%0.604SS**  trans-59.1121169.4-74.3-176.2176.2-177.60106.8I401I401-K403 PolarHBondContact O-N 2.97Å
404P31.8Very low49Very low107 Ų107123.9 Ų123.970%0.69565%0.647SS**SBendtrans-65.7142169.431.3-31.1000106.3E402E402-P404 WeakPolarHBondContact O-CD 3.32Å
405N35.3Very low46.6Very low156 Ų156134.9 Ų134.983%0.83469%0.686SS**  trans98.938.6169.5-47.6-24000119.2
406I40.4Very low44Very low166 Ų166140.4 Ų140.485%0.85172%0.72SS**  trans-13097.5147.8-59.9171.7000108.3
407G32.6Very low41.6Very low67 Ų67141.3 Ų141.369%0.69174%0.744SS**  trans-60.7149.1176.100000112
408R35Very low39.5Very low239 Ų239144.2 Ų144.290%0.90276%0.761SS**SBendtrans6180.5168.9-64.4179.3169.9179.9-3.1115.2
409L35.4Very low37.7Very low166 Ų166145.8 Ų145.887%0.86977%0.772SS**  trans-177.11.7142.6-101.4147.3000116.8I411L409-I411 PolarHBondContact O-N 3.35Å
410A36.4Very low36.8Very low88 Ų88143 Ų14373%0.72777%0.765SS**G310 helixtrans-84-1.3-172.700000116.7M412A410-M412 VanDerWaalsContact C-N 3.35Å; A410-M412 PolarHBondContact O-N 3.01Å
411I40Very low36.8Very low166 Ų166138.5 Ų138.585%0.85174%0.738SS**G310 helixtrans-80.4-10.9-174-61.4176.9000113.2L409L409-I411 PolarHBondContact O-N 3.35Å
412M30.7Very low37.5Very low166 Ų166132 Ų13282%0.81870%0.704SS**G310 helixtrans-101.3-3.1-177.5-74.9-167.9163.600116.2A410 R414A410-M412 VanDerWaalsContact C-N 3.35Å; A410-M412 PolarHBondContact O-N 3.01Å; M412-R414 VanDerWaalsContact C-N 3.28Å; M412-R414 PolarHBondContact O-N 3.42Å
413A34.3Very low38.6Very low68 Ų68130.9 Ų130.956%0.56270%0.699SS**THydrogen-bonded Turntrans-79.8-1.9-178.200000114.9
414R37.3Very low39.9Very low241 Ų241131.5 Ų131.591%0.90970%0.696SS**THydrogen-bonded Turntrans-87.1-1.2-177.7-69.5-172.8-179.9-176.11.6115.1M412M412-R414 VanDerWaalsContact C-N 3.28Å; M412-R414 PolarHBondContact O-N 3.42Å
415R34.1Very low42Very low244 Ų244129.4 Ų129.492%0.92168%0.683SS**SBendtrans-121.5-1.4-178-81.5-171.5-179.4-175.80.9116
416V31.3Very low44.1Very low116 Ų116122.8 Ų122.870%0.70365%0.647SS**SBendtrans-124.2116.8175.2-175.80000106.9V418V416-V418 PolarHBondContact O-N 3.27Å
417G29.7Very low46Very low78 Ų78118.2 Ų118.280%0.80463%0.627SS**  trans-56.287.5-16800000114.3P419G417-P419 WeakPolarHBondContact O-CD 3.39Å
418V34.8Very low48.4Very low110 Ų110115 Ų11567%0.66759%0.594SS**  trans-73.1110.1162-177.40000105.8V416 L420V416-V418 PolarHBondContact O-N 3.27Å; V418-L420 PolarHBondContact O-N 3.2Å
419P35.6Very low50.6Low75 Ų75106 Ų10649%0.48757%0.566SS.*  trans-64.5112.7-178.925.7-31.5000107.9L380 G417 A421L380-P419 HydrophobicContact CD1-CB 4.17Å; L380-P419 HydrophobicContact CD1-CG 3.46Å; L380-P419 VanDerWaalsContact CD1-CG 3.46Å; L380-P419 HydrophobicContact CD2-CG 3.97Å; L380-P419 HydrophobicContact CG-CG 4.37Å; G417-P419 WeakPolarHBondContact O-CD 3.39Å; P419-A421 PolarHBondContact O-N 3.05Å
420L44.7Very low52.6Low132 Ų132102.6 Ų102.669%0.69154%0.542SS*.  trans-58.994.7162.5-89.9121.1000106.6V418 L422 E423V418-L420 PolarHBondContact O-N 3.2Å; L420-L422 PolarHBondContact O-N 3.28Å; L420-E423 HydrophobicContact CB-CG 3.84Å
421A53.3Low54.7Low15 Ų15110.3 Ų110.312%0.12455%0.552CS.*SBendtrans-62.6-20.9-167.400000112.1K376 L380 C382 P419K376-A421 HydrophobicContact CD-CB 4.42Å; K376-A421 WeakPolarHBondContact CD-O 2.99Å; K376-A421 WeakPolarHBondContact CE-O 3.14Å; K376-A421 PolarHBondContact NZ-O 3.47Å; L380-A421 HydrophobicContact CB-CB 4.06Å; C382-A421 HydrophobicContact CB-CB 4.2Å; P419-A421 PolarHBondContact O-N 3.05Å
422L59.4Low56.8Low10 Ų10105.6 Ų105.65%0.05253%0.527CS..  trans-133.392.3168.8-77.9165.5000109.1V374 C382 V395 P397 L420 R424 I426V374-L422 HydrophobicContact CB-CD1 3.9Å; V374-L422 HydrophobicContact CG1-CD1 3.95Å; V374-L422 HydrophobicContact CG2-CD1 4.01Å; C382-L422 WeakPolarHBondContact SG-CD1 3.04Å; V395-L422 HydrophobicContact CG1-CD1 4.37Å; P397-L422 HydrophobicContact CB-CB 3.86Å; P397-L422 WeakPolarHBondContact CB-O 3.23Å; P397-L422 HydrophobicContact CG-CB 4.28Å; P397-L422 WeakPolarHBondContact CG-O 3.06Å; L420-L422 PolarHBondContact O-N 3.28Å; L422-R424 VanDerWaalsContact C-N 3.29Å; L422-I426 HydrophobicContact CD2-CD1 3.53Å; L422-I426 HydrophobicContact CD2-CG1 3.93Å
423E61.3Low59.2Low152 Ų15298.8 Ų98.871%0.7149%0.494SS*.SBendtrans-74.8-20.9172.2-70.7-174.7167.700112.9L420L420-E423 HydrophobicContact CB-CG 3.84Å
424R65.3Low61.6Low200 Ų20099.8 Ų99.876%0.75549%0.489SS*.SBendtrans-132.7143.3-175.5-63-175.2-175.4179.30.7110.9L422L422-R424 VanDerWaalsContact C-N 3.29Å
425P74.9Confident63.9Low63 Ų6389.8 Ų89.841%0.40945%0.453SS..  trans-63.7140.2173.628.8-35.2000111.1V395 M396V395-P425 WeakPolarHBondContact O-CA 3.19Å; M396-P425 HydrophobicContact CE-CB 3.68Å; M396-P425 HydrophobicContact CE-CG 4.42Å; M396-P425 HydrophobicContact SD-CB 3.22Å; M396-P425 WeakPolarHBondContact SD-CB 3.44Å; M396-P425 HydrophobicContact SD-CG 4.03Å
426I79.8Confident66.5Low17 Ų1778.2 Ų78.29%0.08741%0.409CS..EExtended strand (participates in β ladder)trans-97.7102.5174.7-59176.3000107.1S394 V395 L422 M428 Y452 V461S394-I426 CarbonylContact C-O 3.55Å; S394-I426 VanDerWaalsContact CA-O 3.25Å; S394-I426 WeakPolarHBondContact CA-O 3.42Å; V395-I426 HydrophobicContact CB-CB 4.34Å; V395-I426 PolarHBondContact N-O 3.06Å; V395-I426 PolarHBondContact O-N 2.65Å; L422-I426 HydrophobicContact CD2-CD1 3.53Å; L422-I426 HydrophobicContact CD2-CG1 3.93Å; I426-M428 HydrophobicContact CG2-CE 4.24Å; I426-M428 HydrophobicContact CG2-CG 3.94Å; I426-M428 HydrophobicContact CG2-SD 4.08Å; I426-Y452 HydrophobicContact CG2-CE2 4.48Å; I426-V461 HydrophobicContact CD1-CG2 3.92Å
427T81.1Confident69.2Low69 Ų6978.3 Ų78.342%0.42340%0.397SS..EExtended strand (participates in β ladder)trans-101.4124.3174.8-530000109.5V392V392-T427 HydrophobicContact CG1-CG2 3.3Å
428M82.1Confident72Confident0 Ų075.8 Ų75.80%036%0.363CS..EExtended strand (participates in β ladder)trans-123.2112.7-177-61.2166.5-7200108.7V392 I393 V395 I426 V433 Y452V392-M428 WeakPolarHBondContact CA-O 3.33Å; I393-M428 HydrophobicContact CB-CE 4.34Å; I393-M428 HydrophobicContact CG2-CE 3.89Å; I393-M428 PolarHBondContact N-O 3.47Å; I393-M428 WeakPolarHBondContact O-CA 3.34Å; I393-M428 WeakPolarHBondContact O-CB 3.3Å; I393-M428 PolarHBondContact O-N 3.43Å; V395-M428 HydrophobicContact CG2-CE 4.27Å; I426-M428 HydrophobicContact CG2-CE 4.24Å; I426-M428 HydrophobicContact CG2-CG 3.94Å; I426-M428 HydrophobicContact CG2-SD 4.08Å; M428-V433 HydrophobicContact CB-CG2 4.21Å; M428-Y452 HydrophobicContact CG-CD1 4.35Å; M428-Y452 HydrophobicContact CG-CD2 3.73Å; M428-Y452 HydrophobicContact CG-CE2 4.02Å; M428-Y452 HydrophobicContact CG-CG 3.89Å; M428-Y452 HydrophobicContact SD-CD1 3.3Å; M428-Y452 WeakPolarHBondContact SD-CD1 3.42Å; M428-Y452 HydrophobicContact SD-CD2 3.81Å; M428-Y452 HydrophobicContact SD-CE1 3.69Å; M428-Y452 HydrophobicContact SD-CE2 4.14Å; M428-Y452 HydrophobicContact SD-CG 3.36Å
429P81.5Confident74.5Confident50 Ų5072.3 Ų72.333%0.32534%0.344SS..EExtended strand (participates in β ladder)trans-55.2141.2165.3-18.529.7000109.4R431 Q432P429-R431 PolarHBondContact O-N 2.88Å; P429-Q432 HydrophobicContact CB-CG 4.48Å; P429-Q432 HydrophobicContact CG-CG 4.36Å; P429-Q432 WeakPolarHBondContact O-CB 3.25Å; P429-Q432 PolarHBondContact O-N 3.16Å
430R77.3Confident76.7Confident95 Ų9575.1 Ų75.136%0.35835%0.348SS..G310 helixtrans-52.3-36.5-179.3177176.7164.4-168.7-9.8113P390 S391 Q432 V433 C480 S481 V482P390-R430 WeakPolarHBondContact O-CD 3.48Å; S391-R430 WeakPolarHBondContact O-CB 3.46Å; S391-R430 PolarHBondContact O-N 2.83Å; R430-Q432 PolarHBondContact O-N 3.42Å; R430-Q432 VanDerWaalsContact O-N 3.16Å; R430-V433 PolarHBondContact O-N 3.33Å; R430-C480 PolarHBondContact NE-O 3.45Å; R430-C480 PolarHBondContact NH1-O 3.44Å; R430-S481 VanDerWaalsContact CZ-CB 3.44Å; R430-S481 VanDerWaalsContact CZ-O 3.32Å; R430-S481 PolarHBondContact NH2-O 2.94Å; R430-V482 HydrophobicContact CG-CG2 4.29Å
431R80Confident78.4Confident250 Ų25072.4 Ų72.494%0.94333%0.334SS*.G310 helixtrans-60.6-21.4177.3-64.3-176.3-178.1173.10.6113.9P429P429-R431 PolarHBondContact O-N 2.88Å
432Q83.7Confident78.9Confident66 Ų6681.3 Ų81.331%0.30837%0.37SS..G310 helixtrans-89.3-12178.3-69.7-177.2100112.8P429 R430 I434 Y452 Q453P429-Q432 HydrophobicContact CB-CG 4.48Å; P429-Q432 HydrophobicContact CG-CG 4.36Å; P429-Q432 WeakPolarHBondContact O-CB 3.25Å; P429-Q432 PolarHBondContact O-N 3.16Å; R430-Q432 PolarHBondContact O-N 3.42Å; R430-Q432 VanDerWaalsContact O-N 3.16Å; Q432-I434 PolarHBondContact O-N 2.9Å; Q432-Y452 CarbonylContact O-C 3.44Å; Q432-Y452 WeakPolarHBondContact O-CA 3.33Å; Q432-Y452 VanDerWaalsContact O-CB 3.31Å; Q432-Y452 WeakPolarHBondContact O-CB 3.37Å; Q432-Q453 WeakPolarHBondContact CB-O 3.45Å; Q432-Q453 VanDerWaalsContact CD-O 3.29Å; Q432-Q453 WeakPolarHBondContact CG-O 3.45Å; Q432-Q453 PolarHBondContact O-N 2.95Å; Q432-Q453 PolarHBondContact OE1-O 2.8Å
433V82.9Confident79.3Confident23 Ų2387.6 Ų87.614%0.13940%0.399CS..EExtended strand (participates in β ladder)trans-84.6114.9-178.6-177.60000109.4I393 M428 R430 V436 L450 V482I393-V433 HydrophobicContact CD1-CG2 4Å; M428-V433 HydrophobicContact CB-CG2 4.21Å; R430-V433 PolarHBondContact O-N 3.33Å; V433-V436 HydrophobicContact CG1-CG2 4.18Å; V433-L450 HydrophobicContact CG1-CD2 4.4Å; V433-V482 HydrophobicContact CG1-CG1 4.22Å
434I83.1Confident80Confident90 Ų9082.8 Ų82.846%0.46239%0.391SS..EExtended strand (participates in β ladder)trans-81.4-52.4-176.8-56.6172.9000110.4Q432 R451 Q453 E458Q432-I434 PolarHBondContact O-N 2.9Å; I434-R451 HydrophobicContact CB-CB 4.39Å; I434-R451 PolarHBondContact N-O 3.18Å; I434-Q453 HydrophobicContact CD1-CB 4.29Å; I434-E458 HydrophobicContact CD1-CG 3.98Å
435Q86.5Confident80.8Confident31 Ų3173.6 Ų73.615%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-158.6144.3-176.8-16918023.800111.3R437 R451 D485Q435-R437 HydrophobicContact CG-CG 4.16Å; Q435-R437 VanDerWaalsContact OE1-NE 3.08Å; Q435-R451 PolarHBondContact N-O 2.87Å; Q435-R451 PolarHBondContact O-N 3.22Å; Q435-D485 PolarHBondContact NE2-OD2 2.98Å
436V88.1Confident81.3Confident0 Ų070.8 Ų70.80%034%0.338CS..EExtended strand (participates in β ladder)trans-110.4124166.7-1750000108.9V433 F448 K449 L450 F477 V482 N483 C484 D485V433-V436 HydrophobicContact CG1-CG2 4.18Å; V436-F448 HydrophobicContact CG1-CD1 3.93Å; V436-K449 WeakPolarHBondContact CA-O 3.42Å; V436-L450 HydrophobicContact CG1-CG 4.32Å; V436-L450 HydrophobicContact CG2-CD2 3.49Å; V436-L450 VanDerWaalsContact CG2-CD2 3.49Å; V436-L450 HydrophobicContact CG2-CG 4.05Å; V436-F477 HydrophobicContact CG1-CD2 4.31Å; V436-F477 HydrophobicContact CG1-CE2 4.05Å; V436-F477 HydrophobicContact CG1-CZ 4.46Å; V436-F477 HydrophobicContact CG2-CE1 4.37Å; V436-F477 HydrophobicContact CG2-CZ 4.47Å; V436-V482 HydrophobicContact CG2-CG1 3.61Å; V436-N483 PolarHBondContact N-O 3.44Å; V436-C484 HydrophobicContact CB-CB 4.46Å; V436-C484 WeakPolarHBondContact O-CA 3.17Å; V436-D485 PolarHBondContact O-N 2.92Å
437R88.5Confident81.7Confident118 Ų11871.4 Ų71.445%0.44534%0.342SS..EExtended strand (participates in β ladder)trans-113.2124.9175.3-72.3-170.9176.8-173.40111.1Q435 F448 K449 D485Q435-R437 HydrophobicContact CG-CG 4.16Å; Q435-R437 VanDerWaalsContact OE1-NE 3.08Å; R437-F448 CarbonylContact O-C 3.51Å; R437-F448 WeakPolarHBondContact O-CA 3.49Å; R437-K449 HydrophobicContact CB-CB 4.43Å; R437-K449 PolarHBondContact N-O 3.03Å; R437-K449 PolarHBondContact O-N 3.11Å; R437-D485 WeakPolarHBondContact CA-O 3.29Å
438R88.4Confident82.1Confident25 Ų2568.2 Ų68.29%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-95.5132.2175.5-179.5177.1170.3-178.25.3110E446 F448 D485 L486 S487R438-E446 IonicContact CZ-OE1 2.82Å; R438-E446 IonicContact CZ-OE2 3.84Å; R438-E446 IonicContact NE-OE1 3.88Å; R438-E446 IonicContact NE-OE2 3.99Å; R438-E446 PolarHBondContact NE-OE2 2.89Å; R438-E446 IonicContact NH2-OE1 2.78Å; R438-E446 PolarHBondContact NH2-OE1 3.26Å; R438-E446 IonicContact NH2-OE2 2.88Å; R438-E446 PolarHBondContact NH2-OE2 3.44Å; R438-F448 HydrophobicContact CB-CD1 4.17Å; R438-F448 HydrophobicContact CB-CE1 3.93Å; R438-F448 HydrophobicContact CG-CD1 4.45Å; R438-F448 HydrophobicContact CG-CE1 3.9Å; R438-F448 HydrophobicContact CG-CZ 4.02Å; R438-D485 PolarHBondContact N-O 3.18Å; R438-L486 HydrophobicContact CG-CD1 4.43Å; R438-S487 WeakPolarHBondContact O-CB 3.44Å; R438-S487 PolarHBondContact O-N 2.9Å
439S86.1Confident82.5Confident37 Ų3772.9 Ų72.926%0.25934%0.342SS..EExtended strand (participates in β ladder)trans-138.1132.5178.857.40000111.4E446 I447S439-E446 WeakPolarHBondContact O-CA 3.29Å; S439-I447 PolarHBondContact N-O 2.94Å; S439-I447 PolarHBondContact O-N 2.75Å; S439-I447 PolarHBondContact OG-O 3.44Å; S439-I447 VanDerWaalsContact OG-O 3.1Å
440K83.7Confident82.8Confident135 Ų13570.5 Ų70.559%0.58733%0.327SS*.EExtended strand (participates in β ladder)trans-81.4126.8178.3-65.9-168.7173.7-170.90110.6E446K440-E446 VanDerWaalsContact CE-OE1 3.31Å; K440-E446 WeakPolarHBondContact CE-OE1 3.36Å; K440-E446 HydrophobicContact CG-CG 4.25Å
441L80.2Confident83.4Confident74 Ų7469.2 Ų69.239%0.38732%0.322SS..  trans-94.7157.3172.2-157.772.3000109.9E443 S445 I447L441-E443 PolarHBondContact O-N 2.91Å; L441-S445 WeakPolarHBondContact CA-O 3.43Å; L441-S445 WeakPolarHBondContact CB-O 3.35Å; L441-S445 PolarHBondContact N-O 2.95Å; L441-I447 HydrophobicContact CD1-CD1 4.34Å; L441-I447 HydrophobicContact CD2-CD1 4.43Å
442K63.7Low83.7Confident202 Ų20258 Ų5888%0.87828%0.28SS*.SBendtrans-71.615-173.4-73.5-168.8173-170.10116.1
443E68Low83.8Confident142 Ų14259.5 Ų59.566%0.66429%0.286SS*.SBendtrans-139.340.1-169.3-64.9175.3166.400112.6L441 S445 R464L441-E443 PolarHBondContact O-N 2.91Å; E443-S445 PolarHBondContact O-N 2.84Å; E443-S445 PolarHBondContact O-OG 2.83Å; E443-R464 IonicContact OE2-NH2 2.74Å; E443-R464 PolarHBondContact OE2-NH2 3.08Å
444G75.3Confident83.7Confident52 Ų5264.4 Ų64.454%0.53630%0.302SS..SBendtrans63.911.5179.800000114.9S467G444-S467 WeakPolarHBondContact O-CB 3.39Å; G444-S467 PolarHBondContact O-N 3.1Å; G444-S467 VanDerWaalsContact O-N 3.07Å; G444-S467 PolarHBondContact O-OG 2.85Å
445S81.3Confident83.3Confident6 Ų668.2 Ų68.24%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-119.6150.7177.442.40000110.3L441 E443 R464 V465L441-S445 WeakPolarHBondContact CA-O 3.43Å; L441-S445 WeakPolarHBondContact CB-O 3.35Å; L441-S445 PolarHBondContact N-O 2.95Å; E443-S445 PolarHBondContact O-N 2.84Å; E443-S445 PolarHBondContact O-OG 2.83Å; S445-R464 PolarHBondContact OG-NE 2.86Å; S445-R464 PolarHBondContact OG-NH2 3.1Å; S445-V465 CarbonylContact C-O 3.59Å; S445-V465 WeakPolarHBondContact CA-O 3.48Å
446E86.9Confident82.7Confident5 Ų573.8 Ų73.82%0.02335%0.349CS..EExtended strand (participates in β ladder)trans-122.5152.9179.5-58.6-167.3169.200110.1R438 S439 K440 R464 V465 A470R438-E446 IonicContact CZ-OE1 2.82Å; R438-E446 IonicContact CZ-OE2 3.84Å; R438-E446 IonicContact NE-OE1 3.88Å; R438-E446 IonicContact NE-OE2 3.99Å; R438-E446 PolarHBondContact NE-OE2 2.89Å; R438-E446 IonicContact NH2-OE1 2.78Å; R438-E446 PolarHBondContact NH2-OE1 3.26Å; R438-E446 IonicContact NH2-OE2 2.88Å; R438-E446 PolarHBondContact NH2-OE2 3.44Å; S439-E446 WeakPolarHBondContact O-CA 3.29Å; K440-E446 VanDerWaalsContact CE-OE1 3.31Å; K440-E446 WeakPolarHBondContact CE-OE1 3.36Å; K440-E446 HydrophobicContact CG-CG 4.25Å; E446-R464 WeakPolarHBondContact O-CA 3.34Å; E446-V465 PolarHBondContact N-O 2.88Å; E446-V465 PolarHBondContact O-N 3.05Å; E446-A470 HydrophobicContact CB-CB 4.04Å; E446-A470 HydrophobicContact CG-CB 4.19Å; E446-A470 WeakPolarHBondContact OE2-CB 3.03Å
447I88.3Confident82.4Confident30 Ų3081 Ų8115%0.15438%0.38CS..EExtended strand (participates in β ladder)trans-118.5125.3178.4-69173.2000109S439 L441 K449 D462 I463 R464S439-I447 PolarHBondContact N-O 2.94Å; S439-I447 PolarHBondContact O-N 2.75Å; S439-I447 PolarHBondContact OG-O 3.44Å; S439-I447 VanDerWaalsContact OG-O 3.1Å; L441-I447 HydrophobicContact CD1-CD1 4.34Å; L441-I447 HydrophobicContact CD2-CD1 4.43Å; I447-K449 HydrophobicContact CG2-CG 4.06Å; I447-D462 HydrophobicContact CG2-CB 4.39Å; I447-I463 CarbonylContact C-O 3.55Å; I447-I463 VanDerWaalsContact CA-O 3.32Å; I447-I463 WeakPolarHBondContact CA-O 3.35Å; I447-R464 HydrophobicContact CG1-CB 4.25Å; I447-R464 HydrophobicContact CG1-CG 4.27Å
448F89.4Confident82.3Confident2 Ų280.5 Ų80.51%0.00938%0.383CS..EExtended strand (participates in β ladder)trans-95.6121.4166.4-67.9-93.1000109.2V436 R437 R438 I463 V465 A470 I473 F477V436-F448 HydrophobicContact CG1-CD1 3.93Å; R437-F448 CarbonylContact O-C 3.51Å; R437-F448 WeakPolarHBondContact O-CA 3.49Å; R438-F448 HydrophobicContact CB-CD1 4.17Å; R438-F448 HydrophobicContact CB-CE1 3.93Å; R438-F448 HydrophobicContact CG-CD1 4.45Å; R438-F448 HydrophobicContact CG-CE1 3.9Å; R438-F448 HydrophobicContact CG-CZ 4.02Å; F448-I463 HydrophobicContact CB-CB 4.33Å; F448-I463 PolarHBondContact N-O 3.42Å; F448-I463 PolarHBondContact O-N 3.17Å; F448-V465 HydrophobicContact CD2-CG2 4.08Å; F448-V465 HydrophobicContact CE2-CB 4.45Å; F448-V465 HydrophobicContact CE2-CG2 4.34Å; F448-A470 HydrophobicContact CE2-CB 3.72Å; F448-A470 HydrophobicContact CZ-CB 3.96Å; F448-A470 WeakPolarHBondContact CZ-O 3.19Å; F448-I473 HydrophobicContact CD1-CG2 4.47Å; F448-I473 HydrophobicContact CE1-CG2 4.14Å; F448-I473 HydrophobicContact CE2-CB 4.48Å; F448-I473 HydrophobicContact CE2-CG2 4.25Å; F448-I473 HydrophobicContact CZ-CB 4.28Å; F448-I473 HydrophobicContact CZ-CG2 4.03Å; F448-F477 HydrophobicContact CD1-CE2 4.34Å
449K89.6Confident82.1Confident97 Ų9782.6 Ų82.642%0.42240%0.396SS..EExtended strand (participates in β ladder)trans-100106.8170.9-61-161.3170.1-175.40109V436 R437 I447 D462V436-K449 WeakPolarHBondContact CA-O 3.42Å; R437-K449 HydrophobicContact CB-CB 4.43Å; R437-K449 PolarHBondContact N-O 3.03Å; R437-K449 PolarHBondContact O-N 3.11Å; I447-K449 HydrophobicContact CG2-CG 4.06Å; K449-D462 VanDerWaalsContact CG-OD1 3.32Å; K449-D462 WeakPolarHBondContact CG-OD1 3.46Å; K449-D462 IonicContact NZ-OD2 3.69Å
450L88.8Confident82.1Confident1 Ų184.6 Ų84.61%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-90.4120.9175-79.7133.2000109.6V433 V436 T460 V461 I463 F477V433-L450 HydrophobicContact CG1-CD2 4.4Å; V436-L450 HydrophobicContact CG1-CG 4.32Å; V436-L450 HydrophobicContact CG2-CD2 3.49Å; V436-L450 VanDerWaalsContact CG2-CD2 3.49Å; V436-L450 HydrophobicContact CG2-CG 4.05Å; L450-T460 CarbonylContact O-C 3.28Å; L450-T460 VanDerWaalsContact O-CA 3.3Å; L450-T460 WeakPolarHBondContact O-CA 3.49Å; L450-V461 HydrophobicContact CB-CB 4.5Å; L450-V461 PolarHBondContact N-O 3.46Å; L450-V461 PolarHBondContact O-N 3.09Å; L450-I463 HydrophobicContact CD1-CD1 3.24Å; L450-I463 HydrophobicContact CD1-CG1 3.88Å; L450-F477 HydrophobicContact CD1-CZ 4.4Å; L450-F477 HydrophobicContact CD2-CE1 4.17Å; L450-F477 HydrophobicContact CD2-CZ 3.96Å
451R88.4Confident82.3Confident68 Ų6878.7 Ų78.726%0.25738%0.382SS..EExtended strand (participates in β ladder)trans-105.9127.1173.3-61.3-161.2-73.6154.2-13.9109.7I434 Q435 E458 L459 T460I434-R451 HydrophobicContact CB-CB 4.39Å; I434-R451 PolarHBondContact N-O 3.18Å; Q435-R451 PolarHBondContact N-O 2.87Å; Q435-R451 PolarHBondContact O-N 3.22Å; R451-E458 WeakPolarHBondContact CD-OE1 3.33Å; R451-E458 IonicContact CZ-OE1 3.03Å; R451-E458 IonicContact NE-OE1 2.8Å; R451-E458 IonicContact NH1-OE1 2.91Å; R451-E458 PolarHBondContact NH1-OE1 2.94Å; R451-L459 WeakPolarHBondContact CA-O 3.46Å; R451-T460 HydrophobicContact CG-CG2 3.87Å
452Y87.8Confident82.6Confident15 Ų1577.3 Ų77.36%0.05938%0.375CS..EExtended strand (participates in β ladder)trans-142.2157.1-179.170.3-80.2000112I426 M428 Q432 R454 L459 V461I426-Y452 HydrophobicContact CG2-CE2 4.48Å; M428-Y452 HydrophobicContact CG-CD1 4.35Å; M428-Y452 HydrophobicContact CG-CD2 3.73Å; M428-Y452 HydrophobicContact CG-CE2 4.02Å; M428-Y452 HydrophobicContact CG-CG 3.89Å; M428-Y452 HydrophobicContact SD-CD1 3.3Å; M428-Y452 WeakPolarHBondContact SD-CD1 3.42Å; M428-Y452 HydrophobicContact SD-CD2 3.81Å; M428-Y452 HydrophobicContact SD-CE1 3.69Å; M428-Y452 HydrophobicContact SD-CE2 4.14Å; M428-Y452 HydrophobicContact SD-CG 3.36Å; Q432-Y452 CarbonylContact O-C 3.44Å; Q432-Y452 WeakPolarHBondContact O-CA 3.33Å; Q432-Y452 VanDerWaalsContact O-CB 3.31Å; Q432-Y452 WeakPolarHBondContact O-CB 3.37Å; Y452-R454 HydrophobicContact CD2-CB 4.36Å; Y452-R454 HydrophobicContact CE2-CB 4.13Å; Y452-L459 HydrophobicContact CD1-CB 4.13Å; Y452-L459 WeakPolarHBondContact CD1-O 3.4Å; Y452-L459 HydrophobicContact CD2-CB 4.39Å; Y452-L459 HydrophobicContact CE1-CB 3.58Å; Y452-L459 HydrophobicContact CE2-CB 3.88Å; Y452-L459 HydrophobicContact CE2-CD1 3.77Å; Y452-L459 HydrophobicContact CE2-CG 4.44Å; Y452-L459 VanDerWaalsContact CZ-CB 3.45Å; Y452-L459 PolarHBondContact N-O 3.21Å; Y452-L459 PolarHBondContact O-N 2.98Å; Y452-V461 HydrophobicContact CE1-CG2 3.76Å
453Q85.8Confident83.8Confident96 Ų9667.7 Ų67.745%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-106.8125.2-179-168.2174.56.600110.8Q432 I434Q432-Q453 WeakPolarHBondContact CB-O 3.45Å; Q432-Q453 VanDerWaalsContact CD-O 3.29Å; Q432-Q453 WeakPolarHBondContact CG-O 3.45Å; Q432-Q453 PolarHBondContact O-N 2.95Å; Q432-Q453 PolarHBondContact OE1-O 2.8Å; I434-Q453 HydrophobicContact CD1-CB 4.29Å
454R79.6Confident84.7Confident126 Ų12663.7 Ų63.748%0.47531%0.312SS..EExtended strand (participates in β ladder)trans-136.9124.3174.4-172.2178.1-177.81733.8109.5Y452 D456 K457 L459Y452-R454 HydrophobicContact CD2-CB 4.36Å; Y452-R454 HydrophobicContact CE2-CB 4.13Å; R454-D456 VanDerWaalsContact C-N 3.32Å; R454-D456 PolarHBondContact O-N 3.09Å; R454-K457 PolarHBondContact N-O 3.4Å; R454-K457 PolarHBondContact O-N 3.23Å; R454-K457 VanDerWaalsContact O-N 3.07Å; R454-L459 HydrophobicContact CB-CD1 4.1Å
455Q75.2Confident85.3Confident170 Ų17061.5 Ų61.579%0.79429%0.288SS*.THydrogen-bonded Turntrans48.951.3-179.8-62.1176.2-14.800112.3K457Q455-K457 PolarHBondContact O-N 2.9Å
456D74.6Confident85.4Confident149 Ų14966.5 Ų66.580%0.79732%0.315SS*.THydrogen-bonded Turntrans6112.9-179.3-55.9-35.8000116.7R454R454-D456 VanDerWaalsContact C-N 3.32Å; R454-D456 PolarHBondContact O-N 3.09Å
457K81.7Confident85Confident150 Ų15068.5 Ų68.565%0.65233%0.329SS*.EExtended strand (participates in β ladder)trans-111.1131.6173-63.9-177.9-177.1177.50110.8R454 Q455R454-K457 PolarHBondContact N-O 3.4Å; R454-K457 PolarHBondContact O-N 3.23Å; R454-K457 VanDerWaalsContact O-N 3.07Å; Q455-K457 PolarHBondContact O-N 2.9Å
458E85.4Confident84.6Confident109 Ų10972.6 Ų72.651%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-76.7123.4168.8-171.3177.6179.200109.2I434 R451I434-E458 HydrophobicContact CD1-CG 3.98Å; R451-E458 WeakPolarHBondContact CD-OE1 3.33Å; R451-E458 IonicContact CZ-OE1 3.03Å; R451-E458 IonicContact NE-OE1 2.8Å; R451-E458 IonicContact NH1-OE1 2.91Å; R451-E458 PolarHBondContact NH1-OE1 2.94Å
459L84.9Confident84.2Confident69 Ų6974.6 Ų74.636%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-119.7146.2179.1-67171.4000109.6R451 Y452 R454R451-L459 WeakPolarHBondContact CA-O 3.46Å; Y452-L459 HydrophobicContact CD1-CB 4.13Å; Y452-L459 WeakPolarHBondContact CD1-O 3.4Å; Y452-L459 HydrophobicContact CD2-CB 4.39Å; Y452-L459 HydrophobicContact CE1-CB 3.58Å; Y452-L459 HydrophobicContact CE2-CB 3.88Å; Y452-L459 HydrophobicContact CE2-CD1 3.77Å; Y452-L459 HydrophobicContact CE2-CG 4.44Å; Y452-L459 VanDerWaalsContact CZ-CB 3.45Å; Y452-L459 PolarHBondContact N-O 3.21Å; Y452-L459 PolarHBondContact O-N 2.98Å; R454-L459 HydrophobicContact CB-CD1 4.1Å
460T86.4Confident83.9Confident78 Ų7870 Ų7048%0.47934%0.344SS..EExtended strand (participates in β ladder)trans-121.7132.8-178.957.10000110.2L450 R451L450-T460 CarbonylContact O-C 3.28Å; L450-T460 VanDerWaalsContact O-CA 3.3Å; L450-T460 WeakPolarHBondContact O-CA 3.49Å; R451-T460 HydrophobicContact CG-CG2 3.87Å
461V86.1Confident83.6Confident12 Ų1275.5 Ų75.57%0.07337%0.37CS..EExtended strand (participates in β ladder)trans-120.1122171.6172.40000108.7V374 I426 L450 Y452 I463V374-V461 HydrophobicContact CG1-CG1 3.89Å; I426-V461 HydrophobicContact CD1-CG2 3.92Å; L450-V461 HydrophobicContact CB-CB 4.5Å; L450-V461 PolarHBondContact N-O 3.46Å; L450-V461 PolarHBondContact O-N 3.09Å; Y452-V461 HydrophobicContact CE1-CG2 3.76Å; V461-I463 HydrophobicContact CG1-CD1 4.32Å; V461-I463 HydrophobicContact CG1-CG1 3.85Å
462D88.1Confident83.4Confident44 Ų4475 Ų7524%0.23537%0.372CS..EExtended strand (participates in β ladder)trans-96.9118.9177.8-70.81.4000108.9V375 I447 K449V375-D462 HydrophobicContact CB-CB 4.42Å; V375-D462 PolarHBondContact N-O 3.48Å; I447-D462 HydrophobicContact CG2-CB 4.39Å; K449-D462 VanDerWaalsContact CG-OD1 3.32Å; K449-D462 WeakPolarHBondContact CG-OD1 3.46Å; K449-D462 IonicContact NZ-OD2 3.69Å
463I88.1Confident83.2Confident1 Ų174.2 Ų74.21%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-114.2116.3-178-54.2-170.1000109V372 V374 L386 V395 I447 F448 L450 V461 V465V372-I463 HydrophobicContact CB-CG2 3.37Å; V372-I463 HydrophobicContact CG1-CG2 3.78Å; V372-I463 HydrophobicContact CG2-CG2 3.59Å; V374-I463 HydrophobicContact CG2-CG1 4.46Å; L386-I463 HydrophobicContact CD1-CD1 3.99Å; L386-I463 HydrophobicContact CD2-CD1 4.19Å; V395-I463 HydrophobicContact CG2-CD1 4.28Å; I447-I463 CarbonylContact C-O 3.55Å; I447-I463 VanDerWaalsContact CA-O 3.32Å; I447-I463 WeakPolarHBondContact CA-O 3.35Å; F448-I463 HydrophobicContact CB-CB 4.33Å; F448-I463 PolarHBondContact N-O 3.42Å; F448-I463 PolarHBondContact O-N 3.17Å; L450-I463 HydrophobicContact CD1-CD1 3.24Å; L450-I463 HydrophobicContact CD1-CG1 3.88Å; V461-I463 HydrophobicContact CG1-CD1 4.32Å; V461-I463 HydrophobicContact CG1-CG1 3.85Å; I463-V465 HydrophobicContact CG2-CG2 3.82Å
464R87.1Confident83.1Confident57 Ų5770.6 Ų70.622%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-92.4131.2174.5-171.5175.9-177.8168.5-2.5109.9T373 V375 E443 S445 E446 I447T373-R464 PolarHBondContact N-O 3.4Å; T373-R464 PolarHBondContact O-N 3.48Å; V375-R464 HydrophobicContact CG2-CB 4.14Å; E443-R464 IonicContact OE2-NH2 2.74Å; E443-R464 PolarHBondContact OE2-NH2 3.08Å; S445-R464 PolarHBondContact OG-NE 2.86Å; S445-R464 PolarHBondContact OG-NH2 3.1Å; E446-R464 WeakPolarHBondContact O-CA 3.34Å; I447-R464 HydrophobicContact CG1-CB 4.25Å; I447-R464 HydrophobicContact CG1-CG 4.27Å
465V87.1Confident83.2Confident7 Ų768.3 Ų68.34%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-140.3151.2-175.7-170.90000109.3V372 S445 E446 F448 I463 I473V372-V465 HydrophobicContact CB-CG2 4.25Å; V372-V465 HydrophobicContact CG1-CG2 3.82Å; S445-V465 CarbonylContact C-O 3.59Å; S445-V465 WeakPolarHBondContact CA-O 3.48Å; E446-V465 PolarHBondContact N-O 2.88Å; E446-V465 PolarHBondContact O-N 3.05Å; F448-V465 HydrophobicContact CD2-CG2 4.08Å; F448-V465 HydrophobicContact CE2-CB 4.45Å; F448-V465 HydrophobicContact CE2-CG2 4.34Å; I463-V465 HydrophobicContact CG2-CG2 3.82Å; V465-I473 HydrophobicContact CB-CD1 4.28Å; V465-I473 HydrophobicContact CG1-CD1 3.73Å; V465-I473 HydrophobicContact CG2-CD1 3.71Å
466D83.7Confident83.6Confident111 Ų11160.3 Ų60.359%0.59432%0.315SS*.EExtended strand (participates in β ladder)trans-68.5151.5171.6-60.5-30.8000111.2I468 S469 A470D466-I468 PolarHBondContact O-N 3.08Å; D466-I468 VanDerWaalsContact O-N 3.12Å; D466-S469 PolarHBondContact O-N 2.72Å; D466-S469 VanDerWaalsContact O-N 3.15Å; D466-A470 WeakPolarHBondContact O-CB 3.24Å; D466-A470 PolarHBondContact O-N 3.29Å
467S79.7Confident84.1Confident46 Ų4653.3 Ų53.332%0.32228%0.277SS..Hα-helixtrans-56.5-33.9-174.3-61.20000113.6G444 A470G444-S467 WeakPolarHBondContact O-CB 3.39Å; G444-S467 PolarHBondContact O-N 3.1Å; G444-S467 VanDerWaalsContact O-N 3.07Å; G444-S467 PolarHBondContact O-OG 2.85Å; S467-A470 PolarHBondContact O-N 2.76Å
468I78.6Confident84Confident117 Ų11749.8 Ų49.860%0.627%0.272SS*.Hα-helixtrans-67-50179.4-57.3171.2000110.3D466 A470 E471D466-I468 PolarHBondContact O-N 3.08Å; D466-I468 VanDerWaalsContact O-N 3.12Å; I468-A470 VanDerWaalsContact C-N 3.26Å; I468-A470 PolarHBondContact O-N 2.85Å; I468-E471 PolarHBondContact O-N 2.8Å
469S82.3Confident83.6Confident43 Ų4351.5 Ų51.530%0.30127%0.274SS..Hα-helixtrans-71.4-22.6-179.8-60.30000112.5D466 E471 N472 I473D466-S469 PolarHBondContact O-N 2.72Å; D466-S469 VanDerWaalsContact O-N 3.15Å; S469-E471 PolarHBondContact O-N 2.96Å; S469-N472 PolarHBondContact O-N 3.18Å; S469-I473 WeakPolarHBondContact O-CG1 3.23Å; S469-I473 PolarHBondContact O-N 3.32Å
470A83.4Confident83Confident0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-65.2-35.617800000113.3E446 F448 D466 S467 I468 A474E446-A470 HydrophobicContact CB-CB 4.04Å; E446-A470 HydrophobicContact CG-CB 4.19Å; E446-A470 WeakPolarHBondContact OE2-CB 3.03Å; F448-A470 HydrophobicContact CE2-CB 3.72Å; F448-A470 HydrophobicContact CZ-CB 3.96Å; F448-A470 WeakPolarHBondContact CZ-O 3.19Å; D466-A470 WeakPolarHBondContact O-CB 3.24Å; D466-A470 PolarHBondContact O-N 3.29Å; S467-A470 PolarHBondContact O-N 2.76Å; I468-A470 VanDerWaalsContact C-N 3.26Å; I468-A470 PolarHBondContact O-N 2.85Å; A470-A474 WeakPolarHBondContact O-CB 3.45Å; A470-A474 PolarHBondContact O-N 3.36Å
471E82.4Confident82.4Confident118 Ų11848.1 Ų48.155%0.55126%0.259SS*.Hα-helixtrans-67.9-42.5175.2-70.8-175.117800111.7I468 S469 I473 A474 I475I468-E471 PolarHBondContact O-N 2.8Å; S469-E471 PolarHBondContact O-N 2.96Å; E471-I473 VanDerWaalsContact C-N 3.34Å; E471-I473 PolarHBondContact O-N 3.15Å; E471-A474 PolarHBondContact O-N 2.89Å; E471-I475 WeakPolarHBondContact O-CG1 3.4Å; E471-I475 PolarHBondContact O-N 3.09Å
472N83.3Confident81.9Confident56 Ų5648.2 Ų48.230%0.29926%0.259SS..Hα-helixtrans-62.5-41.1177.1-64.5-28.7000112F370 S469 I475 A476F370-N472 HydrophobicContact CE1-CB 3.76Å; F370-N472 HydrophobicContact CZ-CB 4.27Å; S469-N472 PolarHBondContact O-N 3.18Å; N472-I475 PolarHBondContact O-N 3.4Å; N472-A476 WeakPolarHBondContact O-CB 3.27Å; N472-A476 PolarHBondContact O-N 3.49Å
473I84.3Confident81.3Confident0 Ų052.4 Ų52.40%028%0.282CS..Hα-helixtrans-65.1-40.4175.3-70.5172.3000111.3F370 V372 L386 I388 F448 V465 S469 E471 I475 A476 F477F370-I473 HydrophobicContact CB-CD1 4.03Å; F370-I473 HydrophobicContact CB-CG1 4.05Å; F370-I473 HydrophobicContact CD1-CD1 4.39Å; F370-I473 HydrophobicContact CD1-CG1 3.69Å; F370-I473 HydrophobicContact CD2-CD1 4.45Å; F370-I473 HydrophobicContact CD2-CG1 3.63Å; F370-I473 HydrophobicContact CE1-CG1 3.98Å; F370-I473 HydrophobicContact CE2-CG1 3.88Å; F370-I473 HydrophobicContact CG-CD1 4.04Å; F370-I473 HydrophobicContact CG-CG1 3.5Å; F370-I473 HydrophobicContact CZ-CG1 4.06Å; V372-I473 HydrophobicContact CG1-CD1 3.99Å; L386-I473 HydrophobicContact CD2-CD1 4.34Å; L386-I473 HydrophobicContact CD2-CG2 4.24Å; I388-I473 HydrophobicContact CD1-CG2 4.23Å; F448-I473 HydrophobicContact CD1-CG2 4.47Å; F448-I473 HydrophobicContact CE1-CG2 4.14Å; F448-I473 HydrophobicContact CE2-CB 4.48Å; F448-I473 HydrophobicContact CE2-CG2 4.25Å; F448-I473 HydrophobicContact CZ-CB 4.28Å; F448-I473 HydrophobicContact CZ-CG2 4.03Å; V465-I473 HydrophobicContact CB-CD1 4.28Å; V465-I473 HydrophobicContact CG1-CD1 3.73Å; V465-I473 HydrophobicContact CG2-CD1 3.71Å; S469-I473 WeakPolarHBondContact O-CG1 3.23Å; S469-I473 PolarHBondContact O-N 3.32Å; E471-I473 VanDerWaalsContact C-N 3.34Å; E471-I473 PolarHBondContact O-N 3.15Å; I473-I475 VanDerWaalsContact C-N 3.33Å; I473-I475 PolarHBondContact O-N 3.04Å; I473-A476 PolarHBondContact O-N 2.96Å; I473-F477 HydrophobicContact CG2-CD2 3.63Å; I473-F477 HydrophobicContact CG2-CE2 3.31Å; I473-F477 HydrophobicContact CG2-CZ 4.31Å; I473-F477 VanDerWaalsContact O-CD2 3.23Å; I473-F477 WeakPolarHBondContact O-CD2 3.28Å; I473-F477 PolarHBondContact O-N 3.26Å
474A83.2Confident80.8Confident19 Ų1954.1 Ų54.116%0.15729%0.294CS..Hα-helixtrans-64-38.3176.800000112A470 E471 F477 S478A470-A474 WeakPolarHBondContact O-CB 3.45Å; A470-A474 PolarHBondContact O-N 3.36Å; E471-A474 PolarHBondContact O-N 2.89Å; A474-F477 PolarHBondContact O-N 3.29Å; A474-S478 PolarHBondContact O-N 3.05Å
475I81.9Confident80.3Confident78 Ų7855.2 Ų55.240%0.430%0.304SS..Hα-helixtrans-67.1-39.6173.8-65.4164.7000111E471 N472 I473 S478 R479E471-I475 WeakPolarHBondContact O-CG1 3.4Å; E471-I475 PolarHBondContact O-N 3.09Å; N472-I475 PolarHBondContact O-N 3.4Å; I473-I475 VanDerWaalsContact C-N 3.33Å; I473-I475 PolarHBondContact O-N 3.04Å; I475-S478 WeakPolarHBondContact CA-OG 3.21Å; I475-S478 PolarHBondContact O-N 2.75Å; I475-S478 PolarHBondContact O-OG 3.32Å; I475-R479 HydrophobicContact CG2-CG 4.49Å; I475-R479 WeakPolarHBondContact O-CB 3.34Å; I475-R479 WeakPolarHBondContact O-CG 3.48Å; I475-R479 PolarHBondContact O-N 2.87Å
476A83.6Confident79.8Confident3 Ų360.1 Ų60.13%0.02533%0.329CS..Hα-helixtrans-62.7-44.7175.100000111.6Y368 F370 I388 N472 I473 S478 R479 C480Y368-A476 HydrophobicContact CD1-CB 4.37Å; Y368-A476 HydrophobicContact CD2-CB 3.56Å; Y368-A476 HydrophobicContact CE2-CB 4.07Å; Y368-A476 HydrophobicContact CG-CB 3.72Å; F370-A476 HydrophobicContact CE2-CB 3.65Å; F370-A476 HydrophobicContact CZ-CB 3.88Å; I388-A476 HydrophobicContact CD1-CB 3.88Å; N472-A476 WeakPolarHBondContact O-CB 3.27Å; N472-A476 PolarHBondContact O-N 3.49Å; I473-A476 PolarHBondContact O-N 2.96Å; A476-S478 PolarHBondContact O-N 3.35Å; A476-R479 PolarHBondContact O-N 2.93Å; A476-C480 WeakPolarHBondContact O-CB 3.5Å; A476-C480 PolarHBondContact O-N 2.82Å; A476-C480 PolarHBondContact O-SG 2.91Å
477F83.9Confident79Confident1 Ų157.8 Ų57.80%0.00432%0.321CS..Hα-helixtrans-62.4-40.8174.8-77.4-54.9000112.7L386 I388 I393 V436 F448 L450 I473 A474 C480 S481 V482 C484L386-F477 HydrophobicContact CD2-CZ 4.35Å; I388-F477 HydrophobicContact CD1-CD1 4.06Å; I388-F477 HydrophobicContact CD1-CD2 4.28Å; I388-F477 HydrophobicContact CD1-CE1 3.77Å; I388-F477 HydrophobicContact CD1-CE2 4.02Å; I388-F477 HydrophobicContact CD1-CG 4.3Å; I388-F477 HydrophobicContact CD1-CZ 3.75Å; I388-F477 HydrophobicContact CG1-CE1 4.17Å; I388-F477 HydrophobicContact CG1-CZ 4.38Å; I388-F477 HydrophobicContact CG2-CD1 4.16Å; I388-F477 HydrophobicContact CG2-CE1 4.29Å; I393-F477 HydrophobicContact CD1-CD1 4.26Å; I393-F477 HydrophobicContact CD1-CE1 3.75Å; I393-F477 HydrophobicContact CG1-CE1 4.4Å; V436-F477 HydrophobicContact CG1-CD2 4.31Å; V436-F477 HydrophobicContact CG1-CE2 4.05Å; V436-F477 HydrophobicContact CG1-CZ 4.46Å; V436-F477 HydrophobicContact CG2-CE1 4.37Å; V436-F477 HydrophobicContact CG2-CZ 4.47Å; F448-F477 HydrophobicContact CD1-CE2 4.34Å; L450-F477 HydrophobicContact CD1-CZ 4.4Å; L450-F477 HydrophobicContact CD2-CE1 4.17Å; L450-F477 HydrophobicContact CD2-CZ 3.96Å; I473-F477 HydrophobicContact CG2-CD2 3.63Å; I473-F477 HydrophobicContact CG2-CE2 3.31Å; I473-F477 HydrophobicContact CG2-CZ 4.31Å; I473-F477 VanDerWaalsContact O-CD2 3.23Å; I473-F477 WeakPolarHBondContact O-CD2 3.28Å; I473-F477 PolarHBondContact O-N 3.26Å; A474-F477 PolarHBondContact O-N 3.29Å; F477-C480 CarbonylContact O-C 3.57Å; F477-C480 PolarHBondContact O-N 2.8Å; F477-S481 PolarHBondContact O-N 3.47Å; F477-S481 VanDerWaalsContact O-N 3.1Å; F477-V482 HydrophobicContact CB-CB 4.28Å; F477-V482 HydrophobicContact CD1-CB 3.96Å; F477-V482 HydrophobicContact CD1-CG1 3.96Å; F477-V482 HydrophobicContact CD1-CG2 4.43Å; F477-V482 PolarHBondContact O-N 2.76Å; F477-C484 HydrophobicContact CB-CB 4.45Å
478S79.6Confident77.4Confident77 Ų7766.6 Ų66.654%0.53835%0.347SS..Hα-helixtrans-66.1-39.8178.569.20000112A474 I475 A476 S481A474-S478 PolarHBondContact O-N 3.05Å; I475-S478 WeakPolarHBondContact CA-OG 3.21Å; I475-S478 PolarHBondContact O-N 2.75Å; I475-S478 PolarHBondContact O-OG 3.32Å; A476-S478 PolarHBondContact O-N 3.35Å; S478-S481 WeakPolarHBondContact O-CA 3.3Å; S478-S481 PolarHBondContact O-N 3.35Å
479R77.4Confident75.6Confident145 Ų14568.5 Ų68.555%0.54735%0.354SS..Hα-helixtrans-65.2-38174.2-73-179.2177.5-179.5-2.3112.7Y368 I475 A476 S481Y368-R479 HydrophobicContact CE2-CB 4.36Å; Y368-R479 WeakPolarHBondContact OH-CD 3.42Å; Y368-R479 PolarHBondContact OH-NH1 2.97Å; I475-R479 HydrophobicContact CG2-CG 4.49Å; I475-R479 WeakPolarHBondContact O-CB 3.34Å; I475-R479 WeakPolarHBondContact O-CG 3.48Å; I475-R479 PolarHBondContact O-N 2.87Å; A476-R479 PolarHBondContact O-N 2.93Å; R479-S481 PolarHBondContact O-N 3.29Å
480C73.4Confident73.3Confident3 Ų371 Ų712%0.0238%0.377CS..THydrogen-bonded Turntrans-81.210.7173.3-62.10000113I388 R430 A476 F477 V482I388-C480 HydrophobicContact CG2-CB 4.04Å; R430-C480 PolarHBondContact NE-O 3.45Å; R430-C480 PolarHBondContact NH1-O 3.44Å; A476-C480 WeakPolarHBondContact O-CB 3.5Å; A476-C480 PolarHBondContact O-N 2.82Å; A476-C480 PolarHBondContact O-SG 2.91Å; F477-C480 CarbonylContact O-C 3.57Å; F477-C480 PolarHBondContact O-N 2.8Å; C480-V482 VanDerWaalsContact C-N 3.31Å; C480-V482 PolarHBondContact O-N 3.03Å
481S72.4Confident70.9Confident72 Ų7280.2 Ų80.250%0.50342%0.417SS..THydrogen-bonded Turntrans54.841.9176.3-61.10000113.6R430 F477 S478 R479R430-S481 VanDerWaalsContact CZ-CB 3.44Å; R430-S481 VanDerWaalsContact CZ-O 3.32Å; R430-S481 PolarHBondContact NH2-O 2.94Å; F477-S481 PolarHBondContact O-N 3.47Å; F477-S481 VanDerWaalsContact O-N 3.1Å; S478-S481 WeakPolarHBondContact O-CA 3.3Å; S478-S481 PolarHBondContact O-N 3.35Å; R479-S481 PolarHBondContact O-N 3.29Å
482V76.3Confident68.6Low14 Ų1486.5 Ų86.59%0.08544%0.436CS..  trans-107121.8172.6177.90000108.6I393 R430 V433 V436 F477 C480 C484I393-V482 HydrophobicContact CD1-CG2 4.04Å; R430-V482 HydrophobicContact CG-CG2 4.29Å; V433-V482 HydrophobicContact CG1-CG1 4.22Å; V436-V482 HydrophobicContact CG2-CG1 3.61Å; F477-V482 HydrophobicContact CB-CB 4.28Å; F477-V482 HydrophobicContact CD1-CB 3.96Å; F477-V482 HydrophobicContact CD1-CG1 3.96Å; F477-V482 HydrophobicContact CD1-CG2 4.43Å; F477-V482 PolarHBondContact O-N 2.76Å; C480-V482 VanDerWaalsContact C-N 3.31Å; C480-V482 PolarHBondContact O-N 3.03Å; V482-C484 PolarHBondContact O-N 3.12Å
483N75.1Confident66.3Low132 Ų13291.6 Ų91.671%0.70646%0.462SS*.  trans-68.3118.3-178.7-72.2-17.5000111V436V436-N483 PolarHBondContact N-O 3.44Å
484C77.2Confident63.8Low38 Ų3896.3 Ų96.326%0.25750%0.501SS..EExtended strand (participates in β ladder)trans-112.8102177.8-172.70000109.9V436 F477 V482V436-C484 HydrophobicContact CB-CB 4.46Å; V436-C484 WeakPolarHBondContact O-CA 3.17Å; F477-C484 HydrophobicContact CB-CB 4.45Å; V482-C484 PolarHBondContact O-N 3.12Å
485D78.4Confident61.5Low79 Ų79103 Ų10342%0.42253%0.534SS..EExtended strand (participates in β ladder)trans-89133.6-177.9-67.2-35.7000111.4Q435 V436 R437 R438 S487Q435-D485 PolarHBondContact NE2-OD2 2.98Å; V436-D485 PolarHBondContact O-N 2.92Å; R437-D485 WeakPolarHBondContact CA-O 3.29Å; R438-D485 PolarHBondContact N-O 3.18Å; D485-S487 PolarHBondContact O-N 3.12Å
486L75.9Confident59.3Low111 Ų111104.9 Ų104.958%0.58155%0.551SS**EExtended strand (participates in β ladder)trans-82.7114.2173.8-148.1117.1000109.8R438 R488R438-L486 HydrophobicContact CG-CD1 4.43Å; L486-R488 PolarHBondContact O-N 3.29Å; L486-R488 VanDerWaalsContact O-N 3.11Å
487S65.8Low57.1Low61 Ų61117.2 Ų117.243%0.42760%0.597SS.*  trans-68.5110176.7-174.80000109.9R438 D485 Q489R438-S487 WeakPolarHBondContact O-CB 3.44Å; R438-S487 PolarHBondContact O-N 2.9Å; D485-S487 PolarHBondContact O-N 3.12Å; S487-Q489 PolarHBondContact O-N 2.84Å
488R46.3Very low54.7Low231 Ų231122.6 Ų122.687%0.87264%0.635SS**PPolyproline II helixtrans-59.6130.9164.7-72.4-177.5176.3-178.6-1.3108.4L486 A490L486-R488 PolarHBondContact O-N 3.29Å; L486-R488 VanDerWaalsContact O-N 3.11Å; R488-A490 PolarHBondContact O-N 3.36Å
489Q41.1Very low52.8Low157 Ų157124 Ų12473%0.73464%0.644SS**PPolyproline II helixtrans-55.7123.7177.3-78.1-179.2-1700109.4S487 K491S487-Q489 PolarHBondContact O-N 2.84Å; Q489-K491 PolarHBondContact O-N 3.39Å; Q489-K491 VanDerWaalsContact O-N 3.12Å
490A34.4Very low51Low95 Ų95121.8 Ų121.879%0.78565%0.651SS**PPolyproline II helixtrans-60.8116.2171.300000108.4R488 R492R488-A490 PolarHBondContact O-N 3.36Å; A490-R492 PolarHBondContact O-N 2.98Å; A490-R492 VanDerWaalsContact O-N 3.09Å
491K33.9Very low49.3Very low195 Ų195133 Ų13385%0.84869%0.693SS**PPolyproline II helixtrans-52.7116.7162.2-77.1178.2175.1179.80106.4Q489 L493Q489-K491 PolarHBondContact O-N 3.39Å; Q489-K491 VanDerWaalsContact O-N 3.12Å; K491-L493 PolarHBondContact O-N 3.36Å
492R33.7Very low47.9Very low249 Ų249134.9 Ų134.994%0.9471%0.706SS**  trans-55.2108.4169.4-81.4-177.5172.4-166.6-3.2107.3A490 A494A490-R492 PolarHBondContact O-N 2.98Å; A490-R492 VanDerWaalsContact O-N 3.09Å; R492-A494 PolarHBondContact O-N 2.99Å
493L33.6Very low46.3Very low163 Ų163142.3 Ų142.385%0.85375%0.745SS**PPolyproline II helixtrans-68.7124.2160.8-73.5166.5000106.6K491 L495K491-L493 PolarHBondContact O-N 3.36Å; L493-L495 PolarHBondContact O-N 2.86Å
494A33.1Very low44.6Very low99 Ų99139.1 Ų139.182%0.81874%0.744SS**PPolyproline II helixtrans-62.9118.717200000108.4R492R492-A494 PolarHBondContact O-N 2.99Å
495L35.5Very low42.9Very low161 Ų161143 Ų14384%0.84377%0.772SS**PPolyproline II helixtrans-71.2130.6165.9-80159.7000107.9L493 W497L493-L495 PolarHBondContact O-N 2.86Å; L495-W497 PolarHBondContact O-N 2.65Å
496P35.6Very low41.2Very low116 Ų116143.4 Ų143.475%0.75379%0.785SS**  trans-79.1113.9177.130.3-28.1000108.8S498P496-S498 PolarHBondContact O-N 2.95Å
497W36.3Very low39.6Very low262 Ų262145.1 Ų145.199%0.99280%0.795SS**  trans-74.7106.8165.7-89.1-42.3000109.3L495L495-W497 PolarHBondContact O-N 2.65Å
498S33.2Very low38.6Very low115 Ų115152.6 Ų152.680%0.80481%0.814SS**  trans-90.2116.115866.10000109.3P496P496-S498 PolarHBondContact O-N 2.95Å
499S39.6Very low38.6Very low106 Ų106153.7 Ų153.774%0.74184%0.835SS**  trans-147.693.6153.361.90000109.4
500S40.2Very low38.5Very low98 Ų98153.6 Ų153.669%0.68584%0.84SS**  trans21.2126.5139.361.40000120.3
501R38.2Very low38.7Very low239 Ų239156.6 Ų156.690%0.90284%0.843SS**  trans67.9108.9133.9-66179.3179.3-161.9-1.1117.3
502S43.3Very low38.9Very low111 Ų111154.5 Ų154.578%0.77684%0.843SS**  179.6125.99243.40000111.9
503N41Very low39.3Very low170 Ų170148.9 Ų148.991%0.90984%0.837SS**  trans38.2134.1141.4-62.9-6.6000122.8
504G39.3Very low39.6Very low66 Ų66148.1 Ų148.168%0.6884%0.836SS**  trans107.680.6143.400000113.1
505S43.1Very low40Very low120 Ų120151.3 Ų151.384%0.83984%0.838SS**  66134.184.676.60000115
506A42.2Very low40.4Very low86 Ų86150.6 Ų150.671%0.71184%0.837SS**  trans95.199.516500000114.3
507L42.6Very low40.7Very low148 Ų148153.3 Ų153.378%0.77584%0.844SS**  99121.665.9-93159.1000111.4
508R43.7Very low41.1Very low218 Ų218144.3 Ų144.382%0.82383%0.831SS**  trans92.8124.9143.9-70175.5-176.1-176.91.7119
509L46.7Very low41.8Very low254 Ų254146.9 Ų146.9100%1.3383%0.834SS**  trans81.80167.1-67161.6000116

Retrieved 509 of 509 residues in 178.8 ms (Link to these results)

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