A0A087XHF7_POEFO Loading...

Phospholipase ABHD3

Phospholipase that may play a role in phospholipids remodeling. May selectively cleave myristate (C14)-containing phosphatidylcholines through its predominant phospholipase 1 activity, cleaving preferentially acyl groups in sn1 position. In parallel, may have a minor phospholipase 2 activity acting on acyl groups in position sn2. In addition to (C14)-containing phosphatidylcholines, may also act on other medium-chain-containing and oxidatively truncated phospholipids.

AlphaFold DB , UniProt , Accession A0A087XHF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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
1M51.8Low68.7Low242 Ų242132.4 Ų132.4100%1.19264%0.644SS**  098.40-155.2173.2-158.100106.2
2Y57.4Low69Low238 Ų238132.9 Ų132.993%0.93364%0.635SS**  trans-84.3115.4178.4-82.8-86.7000107.4S4Y2-S4 PolarHBondContact O-N 3.48Å
3L57.9Low69.1Low112 Ų112136.1 Ų136.159%0.58664%0.637SS**  trans-58.4134.7172-81.3156.7000108.8E7 L8L3-E7 HydrophobicContact CD2-CB 4.11Å; L3-L8 HydrophobicContact CB-CD1 4.3Å; L3-L8 HydrophobicContact CB-CG 4.09Å
4S76.8Confident69.5Low53 Ų53133.1 Ų133.137%0.37162%0.623SS.*  trans-65.3150.2176.270.20000109.9Y2 V6 E7 L8Y2-S4 PolarHBondContact O-N 3.48Å; S4-V6 PolarHBondContact O-N 3.01Å; S4-V6 VanDerWaalsContact O-N 3.07Å; S4-E7 WeakPolarHBondContact CB-OE2 3.4Å; S4-E7 PolarHBondContact N-OE2 3.15Å; S4-E7 PolarHBondContact O-N 3.09Å; S4-E7 VanDerWaalsContact OG-CD 3.28Å; S4-E7 WeakPolarHBondContact OG-CG 3.49Å; S4-E7 PolarHBondContact OG-N 2.82Å; S4-E7 PolarHBondContact OG-OE2 3.12Å; S4-L8 PolarHBondContact O-N 3.05Å; S4-L8 VanDerWaalsContact O-N 3.15Å
5S68.7Low69.4Low86 Ų86127.7 Ų127.760%0.60161%0.606SS**Hα-helixtrans-55.3-29.1178.653.40000112.7W9S5-W9 VanDerWaalsContact O-CD1 3.27Å; S5-W9 PolarHBondContact O-N 3.12Å; S5-W9 VanDerWaalsContact O-N 3.11Å
6V74.1Confident69.3Low105 Ų105123.4 Ų123.464%0.63659%0.59SS**Hα-helixtrans-72.6-40.2178.41800000112S4 W9 R10S4-V6 PolarHBondContact O-N 3.01Å; S4-V6 VanDerWaalsContact O-N 3.07Å; V6-W9 PolarHBondContact O-N 2.99Å; V6-R10 WeakPolarHBondContact O-CB 3.13Å; V6-R10 PolarHBondContact O-N 2.75Å
7E74.6Confident69.2Low96 Ų96119.8 Ų119.845%0.44958%0.581SS.*Hα-helixtrans-70.1-36.1177.4-72.3162.7144.700111.9L3 S4 R10 T11L3-E7 HydrophobicContact CD2-CB 4.11Å; S4-E7 WeakPolarHBondContact CB-OE2 3.4Å; S4-E7 PolarHBondContact N-OE2 3.15Å; S4-E7 PolarHBondContact O-N 3.09Å; S4-E7 VanDerWaalsContact OG-CD 3.28Å; S4-E7 WeakPolarHBondContact OG-CG 3.49Å; S4-E7 PolarHBondContact OG-N 2.82Å; S4-E7 PolarHBondContact OG-OE2 3.12Å; E7-R10 PolarHBondContact O-N 3.35Å; E7-T11 WeakPolarHBondContact O-CB 3.41Å; E7-T11 PolarHBondContact O-N 3.21Å; E7-T11 PolarHBondContact O-OG1 3.41Å
8L73.9Confident70Confident100 Ų100121.8 Ų121.852%0.52458%0.582SS.*Hα-helixtrans-61.2-46.2170.9-79.7160.5000111.1L3 S4 R10 T11 Y12L3-L8 HydrophobicContact CB-CD1 4.3Å; L3-L8 HydrophobicContact CB-CG 4.09Å; S4-L8 PolarHBondContact O-N 3.05Å; S4-L8 VanDerWaalsContact O-N 3.15Å; L8-R10 PolarHBondContact O-N 2.92Å; L8-T11 PolarHBondContact O-N 3.39Å; L8-Y12 VanDerWaalsContact O-CB 3.29Å; L8-Y12 WeakPolarHBondContact O-CB 3.49Å; L8-Y12 PolarHBondContact O-N 2.99Å
9W72.4Confident70.4Confident174 Ų174121.3 Ų121.366%0.65959%0.59SS**Hα-helixtrans-63.4-40.6177.1-95.3110.9000113.2S5 V6 Y12 W13S5-W9 VanDerWaalsContact O-CD1 3.27Å; S5-W9 PolarHBondContact O-N 3.12Å; S5-W9 VanDerWaalsContact O-N 3.11Å; V6-W9 PolarHBondContact O-N 2.99Å; W9-Y12 HydrophobicContact CE3-CD1 4.13Å; W9-Y12 AromaticContact CZ3-CD1 3.95Å; W9-Y12 HydrophobicContact CZ3-CD1 3.95Å; W9-Y12 HydrophobicContact CZ3-CE1 4.19Å; W9-Y12 PolarHBondContact O-N 3.24Å; W9-W13 WeakPolarHBondContact O-CB 2.92Å; W9-W13 PolarHBondContact O-N 2.93Å
10R74.1Confident70.9Confident172 Ų172123.8 Ų123.865%0.64959%0.594SS**Hα-helixtrans-66.1-45.5177.5-172.6176.9174.5167.82.4112V6 E7 L8 Y12 W13 E14V6-R10 WeakPolarHBondContact O-CB 3.13Å; V6-R10 PolarHBondContact O-N 2.75Å; E7-R10 PolarHBondContact O-N 3.35Å; L8-R10 PolarHBondContact O-N 2.92Å; R10-Y12 VanDerWaalsContact C-N 3.31Å; R10-Y12 PolarHBondContact O-N 3.28Å; R10-W13 PolarHBondContact O-N 2.94Å; R10-E14 IonicContact NE-OE1 3.01Å; R10-E14 PolarHBondContact NE-OE1 3.42Å; R10-E14 WeakPolarHBondContact O-CB 3.11Å; R10-E14 WeakPolarHBondContact O-CG 3.37Å; R10-E14 PolarHBondContact O-N 3.17Å
11T74.2Confident71.3Confident78 Ų78120 Ų12048%0.47958%0.578SS.*Hα-helixtrans-64.9-37.3178.1-49.90000111.4E7 L8 S15E7-T11 WeakPolarHBondContact O-CB 3.41Å; E7-T11 PolarHBondContact O-N 3.21Å; E7-T11 PolarHBondContact O-OG1 3.41Å; L8-T11 PolarHBondContact O-N 3.39Å; T11-S15 WeakPolarHBondContact O-CB 3.45Å; T11-S15 PolarHBondContact O-N 2.65Å; T11-S15 PolarHBondContact O-OG 3.12Å
12Y72.6Confident72.6Confident139 Ų139111.8 Ų111.855%0.54554%0.542SS..Hα-helixtrans-62.5-49.9172.7-180-98.2000111.4L8 W9 R10 E14 S15 V16L8-Y12 VanDerWaalsContact O-CB 3.29Å; L8-Y12 WeakPolarHBondContact O-CB 3.49Å; L8-Y12 PolarHBondContact O-N 2.99Å; W9-Y12 HydrophobicContact CE3-CD1 4.13Å; W9-Y12 AromaticContact CZ3-CD1 3.95Å; W9-Y12 HydrophobicContact CZ3-CD1 3.95Å; W9-Y12 HydrophobicContact CZ3-CE1 4.19Å; W9-Y12 PolarHBondContact O-N 3.24Å; R10-Y12 VanDerWaalsContact C-N 3.31Å; R10-Y12 PolarHBondContact O-N 3.28Å; Y12-E14 PolarHBondContact O-N 3.27Å; Y12-S15 PolarHBondContact O-N 3.46Å; Y12-S15 VanDerWaalsContact O-N 3.1Å; Y12-V16 HydrophobicContact CD1-CG2 4.32Å; Y12-V16 HydrophobicContact CD2-CG2 4.41Å; Y12-V16 HydrophobicContact CE1-CG2 3.98Å; Y12-V16 HydrophobicContact CE2-CG2 4.07Å; Y12-V16 WeakPolarHBondContact O-CG2 3.4Å; Y12-V16 PolarHBondContact O-N 3.36Å
13W70.1Confident73.8Confident174 Ų174106.8 Ų106.866%0.65953%0.525SS*.Hα-helixtrans-62.9-42.2179.3-167.1-105.6000112.5W9 R10 S15 V16 S17W9-W13 WeakPolarHBondContact O-CB 2.92Å; W9-W13 PolarHBondContact O-N 2.93Å; R10-W13 PolarHBondContact O-N 2.94Å; W13-S15 PolarHBondContact O-N 3.38Å; W13-V16 PolarHBondContact O-N 2.95Å; W13-S17 VanDerWaalsContact O-CB 3.26Å; W13-S17 WeakPolarHBondContact O-CB 3.26Å; W13-S17 PolarHBondContact O-N 3.49Å; W13-S17 PolarHBondContact O-OG 3.29Å
14E74.3Confident75.1Confident94 Ų94104.7 Ų104.744%0.43951%0.514SS..Hα-helixtrans-64.3-26.8174.8-75.9177-167.700112.9R10 Y12 R18R10-E14 IonicContact NE-OE1 3.01Å; R10-E14 PolarHBondContact NE-OE1 3.42Å; R10-E14 WeakPolarHBondContact O-CB 3.11Å; R10-E14 WeakPolarHBondContact O-CG 3.37Å; R10-E14 PolarHBondContact O-N 3.17Å; Y12-E14 PolarHBondContact O-N 3.27Å; E14-R18 WeakPolarHBondContact O-CG 3.35Å
15S67.9Low75.2Confident53 Ų53105.7 Ų105.737%0.37152%0.52SS..Hα-helixtrans-81.7-37.5176.6-61.50000112.7T11 Y12 W13 T21T11-S15 WeakPolarHBondContact O-CB 3.45Å; T11-S15 PolarHBondContact O-N 2.65Å; T11-S15 PolarHBondContact O-OG 3.12Å; Y12-S15 PolarHBondContact O-N 3.46Å; Y12-S15 VanDerWaalsContact O-N 3.1Å; W13-S15 PolarHBondContact O-N 3.38Å; S15-T21 WeakPolarHBondContact O-CB 3.35Å; S15-T21 PolarHBondContact O-OG1 2.92Å
16V67.6Low75.7Confident58 Ų58104.7 Ų104.735%0.35251%0.513SS..Hα-helixtrans-78.8-32-179.8178.80000112.1Y12 W13 R18Y12-V16 HydrophobicContact CD1-CG2 4.32Å; Y12-V16 HydrophobicContact CD2-CG2 4.41Å; Y12-V16 HydrophobicContact CE1-CG2 3.98Å; Y12-V16 HydrophobicContact CE2-CG2 4.07Å; Y12-V16 WeakPolarHBondContact O-CG2 3.4Å; Y12-V16 PolarHBondContact O-N 3.36Å; W13-V16 PolarHBondContact O-N 2.95Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.43Å
17S68.6Low76.1Confident63 Ų63102.3 Ų102.344%0.44150%0.498SS..SBendtrans-83.3-1.9179.260.10000114.6W13W13-S17 VanDerWaalsContact O-CB 3.26Å; W13-S17 WeakPolarHBondContact O-CB 3.26Å; W13-S17 PolarHBondContact O-N 3.49Å; W13-S17 PolarHBondContact O-OG 3.29Å
18R82.9Confident76.3Confident155 Ų155101.4 Ų101.459%0.58550%0.5SS*.SBendtrans-60.5137175.6-61.6-165.4171.7175.2-4.8109.8E14 V16 Y20 T21 V22E14-R18 WeakPolarHBondContact O-CG 3.35Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 3.43Å; R18-Y20 PolarHBondContact O-N 3.45Å; R18-T21 PolarHBondContact O-N 2.82Å; R18-V22 PolarHBondContact O-N 3.27Å
19P78.4Confident76.3Confident113 Ų11399.4 Ų99.473%0.73450%0.497SS*.Hα-helixtrans-51.6-36.8-179.7-27.533.3000113.4F23P19-F23 VanDerWaalsContact O-CB 3.25Å; P19-F23 WeakPolarHBondContact O-CB 3.35Å; P19-F23 PolarHBondContact O-N 2.73Å
20Y79.5Confident76.3Confident170 Ų17093.2 Ų93.267%0.66748%0.483SS*.Hα-helixtrans-70.4-39.6177.9-171.8-103.7000113.4R18 F23 I24R18-Y20 PolarHBondContact O-N 3.45Å; Y20-F23 PolarHBondContact O-N 3.36Å; Y20-I24 HydrophobicContact CD1-CD1 3.67Å; Y20-I24 HydrophobicContact CD1-CG1 4.36Å; Y20-I24 HydrophobicContact CE1-CD1 3.09Å; Y20-I24 HydrophobicContact CE1-CG1 4.08Å; Y20-I24 HydrophobicContact CE2-CD1 4.23Å; Y20-I24 HydrophobicContact CG-CD1 4.46Å; Y20-I24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-I24 WeakPolarHBondContact O-CG1 3.44Å; Y20-I24 PolarHBondContact O-N 3.2Å
21T79.4Confident76.2Confident44 Ų4489.7 Ų89.727%0.2748%0.477SS..Hα-helixtrans-67.1-44.3176.1-49.70000110.5S15 R18 F23 I24 C25S15-T21 WeakPolarHBondContact O-CB 3.35Å; S15-T21 PolarHBondContact O-OG1 2.92Å; R18-T21 PolarHBondContact O-N 2.82Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 2.83Å; T21-I24 PolarHBondContact O-N 2.63Å; T21-C25 VanDerWaalsContact O-CB 3.28Å; T21-C25 WeakPolarHBondContact O-CB 3.31Å; T21-C25 PolarHBondContact O-N 3.06Å; T21-C25 PolarHBondContact O-SG 3.15Å
22V78.3Confident75.9Confident71 Ų7194.8 Ų94.843%0.4349%0.489SS..Hα-helixtrans-61.2-42.4174.6177.10000110.8R18 S26R18-V22 PolarHBondContact O-N 3.27Å; V22-S26 WeakPolarHBondContact O-CB 3.34Å; V22-S26 PolarHBondContact O-N 3.43Å; V22-S26 PolarHBondContact O-OG 3.2Å
23F83.7Confident75.5Confident133 Ų13394.4 Ų94.458%0.58349%0.487SS*.Hα-helixtrans-63.2-49.9176.2-179.6-100.1000112.1P19 Y20 T21 C25 S26 V27P19-F23 VanDerWaalsContact O-CB 3.25Å; P19-F23 WeakPolarHBondContact O-CB 3.35Å; P19-F23 PolarHBondContact O-N 2.73Å; Y20-F23 PolarHBondContact O-N 3.36Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 2.83Å; F23-C25 PolarHBondContact O-N 3.38Å; F23-S26 PolarHBondContact O-N 3.34Å; F23-V27 HydrophobicContact CD1-CG2 4.21Å; F23-V27 HydrophobicContact CD2-CG2 4.22Å; F23-V27 HydrophobicContact CE1-CG2 3.87Å; F23-V27 HydrophobicContact CE2-CG2 3.89Å; F23-V27 HydrophobicContact CG-CG2 4.38Å; F23-V27 HydrophobicContact CZ-CG2 3.71Å; F23-V27 WeakPolarHBondContact O-CB 3.25Å; F23-V27 VanDerWaalsContact O-CG2 3.27Å; F23-V27 WeakPolarHBondContact O-CG2 3.36Å; F23-V27 PolarHBondContact O-N 2.85Å
24I84.3Confident75.2Confident68 Ų6888.9 Ų88.935%0.34947%0.47SS..Hα-helixtrans-61.3-46.5177.3-73.5-179.8000110.9Y20 T21 S26 V27 T28Y20-I24 HydrophobicContact CD1-CD1 3.67Å; Y20-I24 HydrophobicContact CD1-CG1 4.36Å; Y20-I24 HydrophobicContact CE1-CD1 3.09Å; Y20-I24 HydrophobicContact CE1-CG1 4.08Å; Y20-I24 HydrophobicContact CE2-CD1 4.23Å; Y20-I24 HydrophobicContact CG-CD1 4.46Å; Y20-I24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-I24 WeakPolarHBondContact O-CG1 3.44Å; Y20-I24 PolarHBondContact O-N 3.2Å; T21-I24 PolarHBondContact O-N 2.63Å; I24-S26 VanDerWaalsContact C-N 3.31Å; I24-S26 PolarHBondContact O-N 2.93Å; I24-V27 PolarHBondContact O-N 3.09Å; I24-T28 WeakPolarHBondContact O-CB 3.27Å; I24-T28 PolarHBondContact O-N 3.47Å; I24-T28 PolarHBondContact O-OG1 3.31Å
25C80Confident74.5Confident73 Ų7395.5 Ų95.549%0.49349%0.491SS..Hα-helixtrans-63.9-38.3178.6-71.40000111.2T21 F23 A29T21-C25 VanDerWaalsContact O-CB 3.28Å; T21-C25 WeakPolarHBondContact O-CB 3.31Å; T21-C25 PolarHBondContact O-N 3.06Å; T21-C25 PolarHBondContact O-SG 3.15Å; F23-C25 PolarHBondContact O-N 3.38Å; C25-A29 WeakPolarHBondContact O-CB 3.23Å; C25-A29 PolarHBondContact O-N 3.15Å
26S79.1Confident74Confident65 Ų6595.4 Ų95.446%0.45550%0.499SS..Hα-helixtrans-69.4-42.4176.8-59.70000112.1V22 F23 I24 A30V22-S26 WeakPolarHBondContact O-CB 3.34Å; V22-S26 PolarHBondContact O-N 3.43Å; V22-S26 PolarHBondContact O-OG 3.2Å; F23-S26 PolarHBondContact O-N 3.34Å; I24-S26 VanDerWaalsContact C-N 3.31Å; I24-S26 PolarHBondContact O-N 2.93Å; S26-A30 WeakPolarHBondContact O-CB 3.45Å; S26-A30 PolarHBondContact O-N 2.89Å
27V83.1Confident73.7Confident55 Ų5596.4 Ų96.433%0.33350%0.496SS..Hα-helixtrans-66.9-41.9174.9170.30000110.3F23 I24 A30 L31F23-V27 HydrophobicContact CD1-CG2 4.21Å; F23-V27 HydrophobicContact CD2-CG2 4.22Å; F23-V27 HydrophobicContact CE1-CG2 3.87Å; F23-V27 HydrophobicContact CE2-CG2 3.89Å; F23-V27 HydrophobicContact CG-CG2 4.38Å; F23-V27 HydrophobicContact CZ-CG2 3.71Å; F23-V27 WeakPolarHBondContact O-CB 3.25Å; F23-V27 VanDerWaalsContact O-CG2 3.27Å; F23-V27 WeakPolarHBondContact O-CG2 3.36Å; F23-V27 PolarHBondContact O-N 2.85Å; I24-V27 PolarHBondContact O-N 3.09Å; V27-A30 PolarHBondContact O-N 3.47Å; V27-L31 HydrophobicContact CG1-CD1 3.76Å; V27-L31 HydrophobicContact CG1-CG 4.21Å; V27-L31 VanDerWaalsContact O-CB 3.25Å; V27-L31 WeakPolarHBondContact O-CB 3.15Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 3.06Å
28T78.6Confident73.5Confident78 Ų78100.6 Ų100.648%0.47951%0.507SS..Hα-helixtrans-69.2-41.3178.5-54.80000111.1I24 L31 Y32I24-T28 WeakPolarHBondContact O-CB 3.27Å; I24-T28 PolarHBondContact O-N 3.47Å; I24-T28 PolarHBondContact O-OG1 3.31Å; T28-L31 PolarHBondContact O-N 3.41Å; T28-Y32 WeakPolarHBondContact O-CB 3.39Å; T28-Y32 PolarHBondContact O-N 2.85Å
29A73.8Confident73.4Confident57 Ų5795.5 Ų95.547%0.47149%0.494SS..Hα-helixtrans-66.4-39.8173.300000111.2C25 Y33C25-A29 WeakPolarHBondContact O-CB 3.23Å; C25-A29 PolarHBondContact O-N 3.15Å; A29-Y33 WeakPolarHBondContact O-CA 3.17Å; A29-Y33 WeakPolarHBondContact O-CB 3.11Å; A29-Y33 PolarHBondContact O-N 3.48Å
30A72.8Confident73.9Confident44 Ų4494.4 Ų94.436%0.36448%0.479SS..Hα-helixtrans-63.8-46.717300000110.8S26 V27 Y33 L34S26-A30 WeakPolarHBondContact O-CB 3.45Å; S26-A30 PolarHBondContact O-N 2.89Å; V27-A30 PolarHBondContact O-N 3.47Å; A30-Y33 CarbonylContact O-C 3.59Å; A30-Y33 PolarHBondContact O-N 3.5Å; A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 VanDerWaalsContact O-CD1 3.32Å; A30-L34 WeakPolarHBondContact O-CD1 3.44Å; A30-L34 WeakPolarHBondContact O-CG 3.23Å; A30-L34 PolarHBondContact O-N 3.43Å
31L71.3Confident74.5Confident98 Ų9890 Ų9051%0.51347%0.47SS..Hα-helixtrans-64-44.1176.8-73.1172.1000111.5V27 T28 Y33 L34 W35V27-L31 HydrophobicContact CG1-CD1 3.76Å; V27-L31 HydrophobicContact CG1-CG 4.21Å; V27-L31 VanDerWaalsContact O-CB 3.25Å; V27-L31 WeakPolarHBondContact O-CB 3.15Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 3.06Å; T28-L31 PolarHBondContact O-N 3.41Å; L31-Y33 VanDerWaalsContact C-N 3.34Å; L31-L34 PolarHBondContact O-N 3.49Å; L31-W35 WeakPolarHBondContact O-CB 3.27Å; L31-W35 PolarHBondContact O-N 3.08Å
32Y67.4Low75.3Confident186 Ų18688.4 Ų88.473%0.72946%0.46SS*.Hα-helixtrans-64-40175.3-177.6-97.6000111.7T28 W35 G36T28-Y32 WeakPolarHBondContact O-CB 3.39Å; T28-Y32 PolarHBondContact O-N 2.85Å; Y32-W35 PolarHBondContact O-N 3.42Å; Y32-G36 WeakPolarHBondContact O-CA 3.42Å; Y32-G36 PolarHBondContact O-N 3.18Å
33Y64.6Low76.2Confident130 Ų13087.6 Ų87.651%0.5146%0.461SS..Hα-helixtrans-68-41.6174.5-178-116.1000111.7A29 A30 L31 R37A29-Y33 WeakPolarHBondContact O-CA 3.17Å; A29-Y33 WeakPolarHBondContact O-CB 3.11Å; A29-Y33 PolarHBondContact O-N 3.48Å; A30-Y33 CarbonylContact O-C 3.59Å; A30-Y33 PolarHBondContact O-N 3.5Å; L31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-R37 WeakPolarHBondContact O-CG 3.49Å; Y33-R37 PolarHBondContact O-N 3.23Å; Y33-R37 PolarHBondContact OH-NH1 3.13Å; Y33-R37 VanDerWaalsContact OH-NH1 3.17Å; Y33-R37 PolarHBondContact OH-NH2 3.29Å
34L64.5Low76.9Confident58 Ų5883.2 Ų83.230%0.30444%0.444SS..Hα-helixtrans-67.9-34.8175.8-70.2165.6000111.6A30 L31 P69A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 VanDerWaalsContact O-CD1 3.32Å; A30-L34 WeakPolarHBondContact O-CD1 3.44Å; A30-L34 WeakPolarHBondContact O-CG 3.23Å; A30-L34 PolarHBondContact O-N 3.43Å; L31-L34 PolarHBondContact O-N 3.49Å; L34-P69 WeakPolarHBondContact CD2-O 3.32Å
35W59.6Low77.6Confident233 Ų23381 Ų8188%0.88343%0.432SS*.Hα-helixtrans-82.5-30.8178.9-158.6-69.5000112.7L31 Y32 R37L31-W35 WeakPolarHBondContact O-CB 3.27Å; L31-W35 PolarHBondContact O-N 3.08Å; Y32-W35 PolarHBondContact O-N 3.42Å; W35-R37 PolarHBondContact O-N 3.38Å
36G56.6Low78.4Confident52 Ų5278.7 Ų78.754%0.53642%0.417SS..SBendtrans-76.7-5.6174.400000113.9Y32 K38Y32-G36 WeakPolarHBondContact O-CA 3.42Å; Y32-G36 PolarHBondContact O-N 3.18Å; G36-K38 PolarHBondContact O-N 3.43Å; G36-K38 VanDerWaalsContact O-N 3.12Å
37R61.6Low79.3Confident78 Ų7876.9 Ų76.929%0.29440%0.404SS..SBendtrans-76.4100.3174.9-64.1-115.4-162.9-161.626.3108.7Y33 W35 C39 W72Y33-R37 WeakPolarHBondContact O-CG 3.49Å; Y33-R37 PolarHBondContact O-N 3.23Å; Y33-R37 PolarHBondContact OH-NH1 3.13Å; Y33-R37 VanDerWaalsContact OH-NH1 3.17Å; Y33-R37 PolarHBondContact OH-NH2 3.29Å; W35-R37 PolarHBondContact O-N 3.38Å; R37-C39 PolarHBondContact O-N 3.13Å; R37-W72 VanDerWaalsContact NH2-CD1 3.35Å; R37-W72 VanDerWaalsContact NH2-CD2 3.27Å; R37-W72 VanDerWaalsContact NH2-CE2 3.31Å; R37-W72 VanDerWaalsContact NH2-CG 3.29Å
38K63.3Low80Confident152 Ų15280.9 Ų80.966%0.66142%0.419SS*.  trans-59.4122.5-167-68.2178.4-179.5176.50110.6G36 E40G36-K38 PolarHBondContact O-N 3.43Å; G36-K38 VanDerWaalsContact O-N 3.12Å; K38-E40 HydrophobicContact CB-CG 3.86Å; K38-E40 PolarHBondContact O-N 2.92Å
39C81.4Confident80.9Confident47 Ų4779.8 Ų79.832%0.31842%0.418SS..  trans-60.2117152.8-59.30000107.7R37 R64 F65 C66R37-C39 PolarHBondContact O-N 3.13Å; C39-R64 HydrophobicContact CB-CB 4.03Å; C39-F65 WeakPolarHBondContact CA-O 3.46Å; C39-C66 HydrophobicContact CB-CB 4.06Å; C39-C66 WeakPolarHBondContact CB-SG 3.29Å; C39-C66 WeakPolarHBondContact SG-CB 3.42Å; C39-C66 CovalentContact SG-SG 2.02Å; C39-C66 PolarHBondContact SG-SG 3.44Å
40E88.9Confident82Confident91 Ų9177 Ų7743%0.42540%0.395SS..BIsolated β-bridgetrans-111.8139.9-175.6-72.7179.7-164.100109.7K38 F65 A356K38-E40 HydrophobicContact CB-CG 3.86Å; K38-E40 PolarHBondContact O-N 2.92Å; E40-F65 PolarHBondContact N-O 2.92Å; E40-F65 PolarHBondContact O-N 2.91Å; E40-A356 VanDerWaalsContact OE2-CB 3.29Å; E40-A356 WeakPolarHBondContact OE2-CB 3.32Å
41T93.1Very high83.2Confident78 Ų7875.5 Ų75.548%0.47938%0.382SS..PPolyproline II helixtrans-71.3127.3168.1-60.50000107.5A62 R64T41-A62 WeakPolarHBondContact CG2-O 3.28Å; T41-R64 WeakPolarHBondContact OG1-CG 3.44Å
42P95.9Very high84.5Confident9 Ų974.6 Ų74.66%0.05838%0.38CS..PPolyproline II helixtrans-59.2145.3177.7-23.134.7000111.3L44 E63 F65 L353 L354 T355 Y374P42-L44 PolarHBondContact O-N 2.77Å; P42-E63 WeakPolarHBondContact CD-O 3.44Å; P42-F65 HydrophobicContact CG-CB 4.41Å; P42-L353 HydrophobicContact CB-CD1 3.67Å; P42-L353 HydrophobicContact CB-CG 3.97Å; P42-L354 CarbonylContact C-O 3.58Å; P42-L354 VanDerWaalsContact CA-O 3.24Å; P42-L354 WeakPolarHBondContact CA-O 3.35Å; P42-L354 WeakPolarHBondContact CB-O 3.43Å; P42-T355 HydrophobicContact CB-CG2 4.09Å; P42-T355 HydrophobicContact CG-CG2 3.95Å; P42-Y374 WeakPolarHBondContact CG-OH 2.98Å
43A97.3Very high86Confident54 Ų5466.1 Ų66.145%0.44635%0.347SS..EExtended strand (participates in β ladder)trans-77.3119.5172.200000108.9I45 L353 L354A43-I45 HydrophobicContact CB-CD1 4.13Å; A43-L353 WeakPolarHBondContact O-CA 3.4Å; A43-L354 HydrophobicContact CB-CB 4.34Å; A43-L354 PolarHBondContact N-O 3.01Å; A43-L354 PolarHBondContact O-N 3.5Å
44L98.3Very high87.6Confident41 Ų4160 Ų6022%0.21532%0.323CS..EExtended strand (participates in β ladder)trans-98.7112.4174.8177.262.2000109.4P42 L54 V61 A351 L353P42-L44 PolarHBondContact O-N 2.77Å; L44-L54 HydrophobicContact CD1-CD1 3.93Å; L44-L54 HydrophobicContact CD2-CB 4.46Å; L44-L54 HydrophobicContact CD2-CD1 4.31Å; L44-V61 HydrophobicContact CD2-CB 4.47Å; L44-V61 HydrophobicContact CD2-CG2 4.13Å; L44-A351 HydrophobicContact CD1-CB 4.18Å; L44-L353 HydrophobicContact CB-CD1 4.03Å; L44-L353 HydrophobicContact CD1-CD1 4.07Å
45I98.3Very high89.2Confident21 Ų2162.3 Ų62.311%0.10833%0.331CS..EExtended strand (participates in β ladder)trans-106.2108.5177.6-57.293.7000108.2A43 V341 V344 Q345 A351 L352 L354A43-I45 HydrophobicContact CB-CD1 4.13Å; I45-V341 HydrophobicContact CG1-CG1 4.36Å; I45-V341 HydrophobicContact CG2-CG1 4.23Å; I45-V344 HydrophobicContact CG2-CB 4.37Å; I45-V344 HydrophobicContact CG2-CG1 4.08Å; I45-V344 VanDerWaalsContact O-CG1 3.3Å; I45-V344 WeakPolarHBondContact O-CG1 3.46Å; I45-Q345 HydrophobicContact CG2-CG 3.5Å; I45-Q345 VanDerWaalsContact CG2-CG 3.5Å; I45-A351 WeakPolarHBondContact O-CA 3.38Å; I45-L352 HydrophobicContact CB-CB 4.34Å; I45-L352 WeakPolarHBondContact CD1-O 3.49Å; I45-L352 PolarHBondContact N-O 2.83Å; I45-L352 PolarHBondContact O-N 2.91Å; I45-L354 HydrophobicContact CD1-CB 4.4Å; I45-L354 HydrophobicContact CD1-CD1 3.59Å; I45-L354 HydrophobicContact CD1-CG 3.79Å
46C97.8Very high91Very high25 Ų2558 Ų5817%0.16932%0.318CS..SBendtrans-166.2179.1176.558.50000110.1F50 S51 A351C46-F50 HydrophobicContact CB-CB 4.45Å; C46-F50 HydrophobicContact CB-CD1 4.3Å; C46-S51 VanDerWaalsContact SG-CA 3.55Å; C46-S51 VanDerWaalsContact SG-CB 3.55Å; C46-S51 PolarHBondContact SG-N 3.22Å; C46-A351 HydrophobicContact CB-CB 3.61Å
47S97Very high93Very high27 Ų2757.1 Ų57.119%0.18930%0.3CS..  trans-62.1153.4168.971.80000111.7A49 F50 S51 P348S47-A49 VanDerWaalsContact C-N 3.32Å; S47-A49 PolarHBondContact O-N 2.81Å; S47-F50 PolarHBondContact O-N 2.53Å; S47-F50 VanDerWaalsContact OG-CB 3.25Å; S47-F50 WeakPolarHBondContact OG-CB 3.45Å; S47-F50 PolarHBondContact OG-N 3.03Å; S47-S51 WeakPolarHBondContact O-CB 3.47Å; S47-S51 PolarHBondContact O-N 3.3Å; S47-P348 PolarHBondContact OG-O 3.35Å
48E97.3Very high94.7Very high140 Ų14053.4 Ų53.465%0.65429%0.286SS*.Hα-helixtrans-59.9-43179.9-174.557.7-149.200111.8F50 S51 V52E48-F50 PolarHBondContact O-N 3.3Å; E48-S51 WeakPolarHBondContact O-CB 3.49Å; E48-S51 PolarHBondContact O-N 3.1Å; E48-V52 WeakPolarHBondContact O-CG2 3.41Å; E48-V52 PolarHBondContact O-N 2.92Å
49A97.6Very high96.3Very high54 Ų5449 Ų4945%0.44627%0.273SS..Hα-helixtrans-61.6-43.5178.500000111.9S47 V52 F53 A396S47-A49 VanDerWaalsContact C-N 3.32Å; S47-A49 PolarHBondContact O-N 2.81Å; A49-V52 PolarHBondContact O-N 3.35Å; A49-F53 PolarHBondContact O-N 3.2Å; A49-F53 VanDerWaalsContact O-N 3.16Å; A49-A396 WeakPolarHBondContact CB-O 3.38Å
50F98.1Very high97.1Very high0 Ų046.8 Ų46.80%026%0.258CS..Hα-helixtrans-70.2-35.7177.6-163.9-166.5000112C46 S47 E48 V52 F53 L54 P322 A351 F382 I393C46-F50 HydrophobicContact CB-CB 4.45Å; C46-F50 HydrophobicContact CB-CD1 4.3Å; S47-F50 PolarHBondContact O-N 2.53Å; S47-F50 VanDerWaalsContact OG-CB 3.25Å; S47-F50 WeakPolarHBondContact OG-CB 3.45Å; S47-F50 PolarHBondContact OG-N 3.03Å; E48-F50 PolarHBondContact O-N 3.3Å; F50-V52 PolarHBondContact O-N 2.75Å; F50-F53 HydrophobicContact CD2-CB 4.48Å; F50-F53 HydrophobicContact CD2-CD1 4.15Å; F50-F53 HydrophobicContact CE2-CD1 4.07Å; F50-F53 PolarHBondContact O-N 3.17Å; F50-L54 HydrophobicContact CD2-CD1 4.09Å; F50-L54 HydrophobicContact CD2-CD2 4.43Å; F50-L54 HydrophobicContact CD2-CG 3.86Å; F50-L54 HydrophobicContact CE2-CD1 4.06Å; F50-L54 HydrophobicContact CE2-CD2 3.85Å; F50-L54 HydrophobicContact CE2-CG 3.79Å; F50-L54 HydrophobicContact CG-CD1 4.34Å; F50-L54 HydrophobicContact CZ-CD1 4.29Å; F50-L54 HydrophobicContact CZ-CD2 4.34Å; F50-L54 HydrophobicContact CZ-CG 4.43Å; F50-L54 WeakPolarHBondContact O-CB 3.31Å; F50-L54 VanDerWaalsContact O-CG 3.31Å; F50-L54 WeakPolarHBondContact O-CG 3.33Å; F50-L54 PolarHBondContact O-N 3.44Å; F50-P322 HydrophobicContact CZ-CB 4.23Å; F50-A351 HydrophobicContact CD1-CB 3.83Å; F50-A351 HydrophobicContact CE1-CB 3.59Å; F50-A351 HydrophobicContact CZ-CB 4.3Å; F50-F382 HydrophobicContact CZ-CE2 4.35Å; F50-I393 HydrophobicContact CE2-CD1 4.02Å; F50-I393 HydrophobicContact CE2-CG1 3.98Å; F50-I393 HydrophobicContact CZ-CD1 4.46Å
51S98Very high97.5Very high11 Ų1142.6 Ų42.68%0.07724%0.238CC..Hα-helixtrans-57.9-46.5173-1740000112.1C46 S47 E48 L54 K55C46-S51 VanDerWaalsContact SG-CA 3.55Å; C46-S51 VanDerWaalsContact SG-CB 3.55Å; C46-S51 PolarHBondContact SG-N 3.22Å; S47-S51 WeakPolarHBondContact O-CB 3.47Å; S47-S51 PolarHBondContact O-N 3.3Å; E48-S51 WeakPolarHBondContact O-CB 3.49Å; E48-S51 PolarHBondContact O-N 3.1Å; S51-L54 PolarHBondContact O-N 2.91Å; S51-K55 WeakPolarHBondContact O-CB 3.28Å; S51-K55 VanDerWaalsContact O-CG 3.32Å; S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 2.94Å; S51-K55 WeakPolarHBondContact OG-CE 3.48Å; S51-K55 PolarHBondContact OG-NZ 3.19Å
52V98.3Very high97.6Very high79 Ų7941.2 Ų41.248%0.47924%0.235SC..Hα-helixtrans-61.8-45.8177.2170.50000111E48 A49 F50 K55 K56E48-V52 WeakPolarHBondContact O-CG2 3.41Å; E48-V52 PolarHBondContact O-N 2.92Å; A49-V52 PolarHBondContact O-N 3.35Å; F50-V52 PolarHBondContact O-N 2.75Å; V52-K55 PolarHBondContact O-N 3.26Å; V52-K56 WeakPolarHBondContact O-CB 3.3Å; V52-K56 PolarHBondContact O-N 2.86Å; V52-K56 VanDerWaalsContact O-N 3.12Å
53F98.5Very high97.6Very high9 Ų943.8 Ų43.84%0.03925%0.246CC..Hα-helixtrans-58.3-50.4175.9174.6-91.2000111.6A49 F50 K55 K56 H57 A385 H389 D392 I393 A396A49-F53 PolarHBondContact O-N 3.2Å; A49-F53 VanDerWaalsContact O-N 3.16Å; F50-F53 HydrophobicContact CD2-CB 4.48Å; F50-F53 HydrophobicContact CD2-CD1 4.15Å; F50-F53 HydrophobicContact CE2-CD1 4.07Å; F50-F53 PolarHBondContact O-N 3.17Å; F53-K55 PolarHBondContact O-N 2.68Å; F53-K56 PolarHBondContact O-N 3.13Å; F53-H57 AromaticContact CD2-CD2 3.65Å; F53-H57 HydrophobicContact CE2-CB 4.42Å; F53-H57 AromaticContact CE2-CD2 3.58Å; F53-H57 HydrophobicContact CZ-CB 4.21Å; F53-H57 PolarHBondContact O-N 2.77Å; F53-A385 HydrophobicContact CE1-CB 4.1Å; F53-A385 HydrophobicContact CZ-CB 3.96Å; F53-H389 HydrophobicContact CE2-CB 3.98Å; F53-H389 HydrophobicContact CZ-CB 4.33Å; F53-D392 HydrophobicContact CD2-CB 3.9Å; F53-D392 HydrophobicContact CE2-CB 3.76Å; F53-I393 HydrophobicContact CD1-CB 4.28Å; F53-I393 HydrophobicContact CD1-CD1 4.32Å; F53-I393 HydrophobicContact CD1-CG1 3.98Å; F53-I393 HydrophobicContact CD2-CB 4.31Å; F53-I393 HydrophobicContact CE1-CB 3.79Å; F53-I393 HydrophobicContact CE1-CD1 3.69Å; F53-I393 HydrophobicContact CE1-CG1 3.68Å; F53-I393 HydrophobicContact CE2-CB 3.82Å; F53-I393 HydrophobicContact CZ-CB 3.55Å; F53-I393 HydrophobicContact CZ-CD1 4.18Å; F53-I393 HydrophobicContact CZ-CG1 4.01Å; F53-A396 HydrophobicContact CB-CB 3.75Å; F53-A396 HydrophobicContact CG-CB 4.28Å
54L98.4Very high97.3Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-62.5-43.8-178.5-71172.9000111.9L44 F50 S51 K56 C58 V61 L324 A351 F382L44-L54 HydrophobicContact CD1-CD1 3.93Å; L44-L54 HydrophobicContact CD2-CB 4.46Å; L44-L54 HydrophobicContact CD2-CD1 4.31Å; F50-L54 HydrophobicContact CD2-CD1 4.09Å; F50-L54 HydrophobicContact CD2-CD2 4.43Å; F50-L54 HydrophobicContact CD2-CG 3.86Å; F50-L54 HydrophobicContact CE2-CD1 4.06Å; F50-L54 HydrophobicContact CE2-CD2 3.85Å; F50-L54 HydrophobicContact CE2-CG 3.79Å; F50-L54 HydrophobicContact CG-CD1 4.34Å; F50-L54 HydrophobicContact CZ-CD1 4.29Å; F50-L54 HydrophobicContact CZ-CD2 4.34Å; F50-L54 HydrophobicContact CZ-CG 4.43Å; F50-L54 WeakPolarHBondContact O-CB 3.31Å; F50-L54 VanDerWaalsContact O-CG 3.31Å; F50-L54 WeakPolarHBondContact O-CG 3.33Å; F50-L54 PolarHBondContact O-N 3.44Å; S51-L54 PolarHBondContact O-N 2.91Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.37Å; L54-C58 HydrophobicContact CD2-CB 4.45Å; L54-C58 CarbonylContact O-C 3.53Å; L54-C58 WeakPolarHBondContact O-CA 3.26Å; L54-C58 VanDerWaalsContact O-CB 3.32Å; L54-C58 WeakPolarHBondContact O-CB 3.33Å; L54-C58 PolarHBondContact O-N 2.88Å; L54-V61 HydrophobicContact CB-CG1 4.41Å; L54-V61 HydrophobicContact CB-CG2 4.13Å; L54-L324 HydrophobicContact CD1-CD1 4.23Å; L54-L324 HydrophobicContact CD2-CD2 4.39Å; L54-A351 HydrophobicContact CD1-CB 3.62Å; L54-F382 HydrophobicContact CD2-CD2 3.84Å; L54-F382 HydrophobicContact CD2-CE2 3.94Å
55K98Very high97Very high107 Ų10748 Ų4847%0.46525%0.248SC..Hα-helixtrans-63.6-33.1177.7-72.2170.5-176.7168.30112.8S51 V52 F53 V61 A62S51-K55 WeakPolarHBondContact O-CB 3.28Å; S51-K55 VanDerWaalsContact O-CG 3.32Å; S51-K55 WeakPolarHBondContact O-CG 3.46Å; S51-K55 PolarHBondContact O-N 2.94Å; S51-K55 WeakPolarHBondContact OG-CE 3.48Å; S51-K55 PolarHBondContact OG-NZ 3.19Å; V52-K55 PolarHBondContact O-N 3.26Å; F53-K55 PolarHBondContact O-N 2.68Å; K55-V61 HydrophobicContact CG-CG2 4.17Å; K55-A62 HydrophobicContact CG-CB 4.47Å
56K98.3Very high96.6Very high144 Ų14449.6 Ų49.663%0.62626%0.26SS*.Hα-helixtrans-77.4-45.9-179.3-177.1-179.3169.4-1520112.5V52 F53 L54V52-K56 WeakPolarHBondContact O-CB 3.3Å; V52-K56 PolarHBondContact O-N 2.86Å; V52-K56 VanDerWaalsContact O-N 3.12Å; F53-K56 PolarHBondContact O-N 3.13Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 3.37Å
57H98.1Very high96.2Very high33 Ų3349.8 Ų49.815%0.15326%0.261CS..Hα-helixtrans-106.1-12.2-171-62.2-80.1000114F53 A385 H389 D392F53-H57 AromaticContact CD2-CD2 3.65Å; F53-H57 HydrophobicContact CE2-CB 4.42Å; F53-H57 AromaticContact CE2-CD2 3.58Å; F53-H57 HydrophobicContact CZ-CB 4.21Å; F53-H57 PolarHBondContact O-N 2.77Å; H57-A385 HydrophobicContact CB-CB 3.66Å; H57-H389 AromaticContact CE1-CD2 3.53Å; H57-H389 AromaticContact CE1-CE1 3.55Å; H57-H389 AromaticContact CE1-CG 3.6Å; H57-H389 AromaticContact CE1-ND1 3.62Å; H57-H389 AromaticContact CE1-NE2 3.44Å; H57-H389 PolarHBondContact CE1-NE2 2.84Å; H57-H389 AromaticContact CG-CD2 3.77Å; H57-H389 AromaticContact ND1-CD2 3.05Å; H57-H389 PolarHBondContact ND1-CD2 3.49Å; H57-H389 AromaticContact ND1-CE1 3.66Å; H57-H389 AromaticContact ND1-CG 3.6Å; H57-H389 AromaticContact ND1-ND1 3.94Å; H57-H389 AromaticContact ND1-NE2 3.06Å; H57-H389 PolarHBondContact ND1-NE2 2.92Å; H57-D392 IonicContact NE2-OD2 2.85Å
58C97.4Very high95.8Very high0 Ų048.5 Ų48.50%025%0.252CS..  trans-135.461.2177.3-168.80000110.3L54 V60 V61 Q381L54-C58 HydrophobicContact CD2-CB 4.45Å; L54-C58 CarbonylContact O-C 3.53Å; L54-C58 WeakPolarHBondContact O-CA 3.26Å; L54-C58 VanDerWaalsContact O-CB 3.32Å; L54-C58 WeakPolarHBondContact O-CB 3.33Å; L54-C58 PolarHBondContact O-N 2.88Å; C58-V60 PolarHBondContact O-N 2.66Å; C58-V61 HydrophobicContact CB-CG1 4.41Å; C58-V61 WeakPolarHBondContact O-CG1 3.31Å; C58-V61 WeakPolarHBondContact O-CG2 3.29Å; C58-V61 PolarHBondContact O-N 3.15Å; C58-Q381 HydrophobicContact CB-CB 4.27Å; C58-Q381 VanDerWaalsContact SG-CB 3.53Å
59P96.9Very high95.2Very high59 Ų5944.4 Ų44.438%0.38324%0.238SC..G310 helixtrans-56.1-22-17022.4-35.5000114.7V61 A62 E63 Q381P59-V61 PolarHBondContact O-N 3.44Å; P59-V61 VanDerWaalsContact O-N 3.07Å; P59-A62 PolarHBondContact O-N 3.34Å; P59-E63 PolarHBondContact O-N 3.14Å; P59-Q381 VanDerWaalsContact N-OE1 3.13Å
60V96.8Very high94.6Very high0 Ų047.4 Ų47.40%024%0.238CC..G310 helixtrans-56.1-23.5175.467.70000113.6C58 A62 E63 Y374 R377 L378 Q381C58-V60 PolarHBondContact O-N 2.66Å; V60-A62 PolarHBondContact O-N 3.27Å; V60-E63 PolarHBondContact O-N 2.98Å; V60-Y374 HydrophobicContact CG2-CD2 3.94Å; V60-Y374 HydrophobicContact CG2-CE2 3.47Å; V60-Y374 VanDerWaalsContact CG2-CE2 3.47Å; V60-Y374 WeakPolarHBondContact O-CE2 2.96Å; V60-Y374 PolarHBondContact O-OH 3.48Å; V60-R377 HydrophobicContact CG2-CB 4.13Å; V60-L378 HydrophobicContact CG1-CB 4.13Å; V60-L378 HydrophobicContact CG1-CD1 3.6Å; V60-L378 HydrophobicContact CG1-CG 4.47Å; V60-Q381 HydrophobicContact CG1-CB 4.3Å; V60-Q381 HydrophobicContact CG1-CG 4.43Å
61V97.4Very high93.9Very high3 Ų347.4 Ų47.42%0.01824%0.238CC..G310 helixtrans-64-23173.4-55.30000113.5L44 L54 K55 C58 P59 L353 L378L44-V61 HydrophobicContact CD2-CB 4.47Å; L44-V61 HydrophobicContact CD2-CG2 4.13Å; L54-V61 HydrophobicContact CB-CG1 4.41Å; L54-V61 HydrophobicContact CB-CG2 4.13Å; K55-V61 HydrophobicContact CG-CG2 4.17Å; C58-V61 HydrophobicContact CB-CG1 4.41Å; C58-V61 WeakPolarHBondContact O-CG1 3.31Å; C58-V61 WeakPolarHBondContact O-CG2 3.29Å; C58-V61 PolarHBondContact O-N 3.15Å; P59-V61 PolarHBondContact O-N 3.44Å; P59-V61 VanDerWaalsContact O-N 3.07Å; V61-L353 HydrophobicContact CB-CD1 4.08Å; V61-L353 HydrophobicContact CB-CD2 4.31Å; V61-L353 HydrophobicContact CG1-CD2 4.06Å; V61-L378 HydrophobicContact CG1-CD1 3.76Å
62A96.4Very high92.9Very high50 Ų5053.5 Ų53.541%0.41326%0.259SS..THydrogen-bonded Turntrans-106.8-8.4-179.800000113T41 K55 P59 V60T41-A62 WeakPolarHBondContact CG2-O 3.28Å; K55-A62 HydrophobicContact CG-CB 4.47Å; P59-A62 PolarHBondContact O-N 3.34Å; V60-A62 PolarHBondContact O-N 3.27Å
63E94.9Very high92.3Very high62 Ų6250.4 Ų50.429%0.2924%0.244SC..SBendtrans-71.2147.7176-70.6-179.7-147.900111.4P42 P59 V60 F65 R377P42-E63 WeakPolarHBondContact CD-O 3.44Å; P59-E63 PolarHBondContact O-N 3.14Å; V60-E63 PolarHBondContact O-N 2.98Å; E63-F65 PolarHBondContact O-N 3.28Å; E63-R377 IonicContact OE1-NH2 3.48Å; E63-R377 PolarHBondContact OE1-NH2 2.76Å; E63-R377 IonicContact OE2-CZ 4Å; E63-R377 IonicContact OE2-NH1 3.72Å; E63-R377 PolarHBondContact OE2-NH1 3.49Å; E63-R377 IonicContact OE2-NH2 2.8Å; E63-R377 PolarHBondContact OE2-NH2 2.75Å
64R92.6Very high91.9Very high178 Ų17850.2 Ų50.267%0.67224%0.244SC*.PPolyproline II helixtrans-69.8127.5172.7-69.2-175.6179.7-179.91.3110C39 T41C39-R64 HydrophobicContact CB-CB 4.03Å; T41-R64 WeakPolarHBondContact OG1-CG 3.44Å
65F91.6Very high91.7Very high7 Ų754.5 Ų54.53%0.03126%0.26CS..BIsolated β-bridgetrans-87.1120.9169.8176-118.8000109.9C39 E40 P42 E63 P67 T355 H357 F363 L364 Q365 Y374C39-F65 WeakPolarHBondContact CA-O 3.46Å; E40-F65 PolarHBondContact N-O 2.92Å; E40-F65 PolarHBondContact O-N 2.91Å; P42-F65 HydrophobicContact CG-CB 4.41Å; E63-F65 PolarHBondContact O-N 3.28Å; F65-P67 HydrophobicContact CD1-CG 4.2Å; F65-P67 HydrophobicContact CE1-CB 4.32Å; F65-P67 HydrophobicContact CE1-CG 3.69Å; F65-P67 HydrophobicContact CZ-CB 4.41Å; F65-P67 HydrophobicContact CZ-CG 4.22Å; F65-T355 HydrophobicContact CD1-CG2 4.24Å; F65-H357 WeakPolarHBondContact CD1-O 3.21Å; F65-H357 HydrophobicContact CE1-CB 4.28Å; F65-H357 WeakPolarHBondContact CE1-O 3.25Å; F65-F363 HydrophobicContact CE2-CB 4.49Å; F65-F363 WeakPolarHBondContact CE2-O 3.17Å; F65-F363 HydrophobicContact CZ-CB 4.37Å; F65-L364 WeakPolarHBondContact CZ-O 3.28Å; F65-Q365 HydrophobicContact CE2-CB 4.28Å; F65-Y374 HydrophobicContact CB-CD2 4.16Å; F65-Y374 HydrophobicContact CB-CE2 4.27Å; F65-Y374 VanDerWaalsContact CD2-CB 3.49Å; F65-Y374 HydrophobicContact CD2-CD1 4.37Å; F65-Y374 AromaticContact CD2-CD2 3.78Å; F65-Y374 HydrophobicContact CD2-CD2 3.78Å; F65-Y374 AromaticContact CD2-CG 3.62Å; F65-Y374 HydrophobicContact CD2-CG 3.62Å; F65-Y374 HydrophobicContact CE2-CG 4.19Å; F65-Y374 HydrophobicContact CG-CD2 4.31Å; F65-Y374 HydrophobicContact CG-CG 4.26Å
66C89.8Confident91.5Very high53 Ų5352.9 Ų52.936%0.35826%0.256SS..  trans-110.3104.3175.4-58.70000109.5C39C39-C66 HydrophobicContact CB-CB 4.06Å; C39-C66 WeakPolarHBondContact CB-SG 3.29Å; C39-C66 WeakPolarHBondContact SG-CB 3.42Å; C39-C66 CovalentContact SG-SG 2.02Å; C39-C66 PolarHBondContact SG-SG 3.44Å
67P89.2Confident91.2Very high29 Ų2946 Ų4619%0.18823%0.226CC..BIsolated β-bridgetrans-57.3151174.2-22.231.9000111.8F65 P69 H357 L364F65-P67 HydrophobicContact CD1-CG 4.2Å; F65-P67 HydrophobicContact CE1-CB 4.32Å; F65-P67 HydrophobicContact CE1-CG 3.69Å; F65-P67 HydrophobicContact CZ-CB 4.41Å; F65-P67 HydrophobicContact CZ-CG 4.22Å; P67-P69 WeakPolarHBondContact O-CD 3.24Å; P67-P69 VanDerWaalsContact O-N 3.14Å; P67-H357 HydrophobicContact CB-CB 4.38Å; P67-H357 HydrophobicContact CG-CB 3.49Å; P67-H357 VanDerWaalsContact CG-CB 3.49Å; P67-L364 CarbonylContact C-O 3.59Å; P67-L364 VanDerWaalsContact CA-O 3.31Å; P67-L364 WeakPolarHBondContact CA-O 3.46Å
68T89.4Confident91Very high1 Ų145.3 Ų45.31%0.00622%0.224CC..  trans-53.5119.7171.4-68.80000110.6W70 C71 L364 G366 P369T68-W70 VanDerWaalsContact C-N 3.33Å; T68-W70 HydrophobicContact CG2-CD2 3.8Å; T68-W70 HydrophobicContact CG2-CG 4.07Å; T68-W70 HydrophobicContact CG2-CH2 4.45Å; T68-W70 HydrophobicContact CG2-CZ2 3.74Å; T68-W70 PolarHBondContact O-N 2.86Å; T68-W70 VanDerWaalsContact O-N 3.15Å; T68-C71 HydrophobicContact CG2-CB 3.82Å; T68-C71 PolarHBondContact O-N 3.15Å; T68-L364 PolarHBondContact N-O 2.9Å; T68-G366 WeakPolarHBondContact CA-O 3.27Å; T68-G366 WeakPolarHBondContact CB-O 3.04Å; T68-G366 VanDerWaalsContact CG2-O 3.27Å; T68-G366 WeakPolarHBondContact CG2-O 2.94Å; T68-G366 PolarHBondContact OG1-O 2.78Å; T68-P369 HydrophobicContact CG2-CG 3.98Å; T68-P369 VanDerWaalsContact OG1-CB 3.32Å; T68-P369 WeakPolarHBondContact OG1-CB 3.43Å; T68-P369 WeakPolarHBondContact OG1-CG 3.4Å
69P84.1Confident90.8Very high54 Ų5448.1 Ų48.135%0.35124%0.239SC..THydrogen-bonded Turntrans-55.5-42.9-165.8-30.535.2000114.4L34 P67 L367L34-P69 WeakPolarHBondContact CD2-O 3.32Å; P67-P69 WeakPolarHBondContact O-CD 3.24Å; P67-P69 VanDerWaalsContact O-N 3.14Å; P69-L367 HydrophobicContact CG-CD2 4.13Å
70W84.4Confident90.5Very high117 Ų11746.1 Ų46.144%0.44323%0.226SC..THydrogen-bonded Turntrans-82.4-10-178.456.1-99.7000114T68 W72 V80 L84 L367 P369T68-W70 VanDerWaalsContact C-N 3.33Å; T68-W70 HydrophobicContact CG2-CD2 3.8Å; T68-W70 HydrophobicContact CG2-CG 4.07Å; T68-W70 HydrophobicContact CG2-CH2 4.45Å; T68-W70 HydrophobicContact CG2-CZ2 3.74Å; T68-W70 PolarHBondContact O-N 2.86Å; T68-W70 VanDerWaalsContact O-N 3.15Å; W70-W72 PolarHBondContact O-N 3.26Å; W70-V80 HydrophobicContact CH2-CG1 3.75Å; W70-V80 HydrophobicContact CZ3-CG1 3.91Å; W70-V80 HydrophobicContact CZ3-CG2 4.31Å; W70-L84 HydrophobicContact CH2-CD1 3.67Å; W70-L84 HydrophobicContact CZ2-CD1 4.42Å; W70-L367 PolarHBondContact NE1-O 3.29Å; W70-P369 HydrophobicContact CZ2-CG 4.18Å
71C84.4Confident90.3Very high0 Ų046.7 Ų46.70%023%0.229CC..SBendtrans-102.266.3-177.9-164.50000110.1T68 Q77 V80T68-C71 HydrophobicContact CG2-CB 3.82Å; T68-C71 PolarHBondContact O-N 3.15Å; C71-Q77 HydrophobicContact CB-CG 4.48Å; C71-Q77 WeakPolarHBondContact O-CG 3.5Å; C71-Q77 VanDerWaalsContact SG-CA 3.53Å; C71-V80 VanDerWaalsContact SG-CB 3.56Å
72W75.5Confident89.9Confident138 Ų13850 Ų5052%0.52326%0.257SS..  trans-82.6134.6-172.3177.368.2000114.2R37 W70 L76R37-W72 VanDerWaalsContact NH2-CD1 3.35Å; R37-W72 VanDerWaalsContact NH2-CD2 3.27Å; R37-W72 VanDerWaalsContact NH2-CE2 3.31Å; R37-W72 VanDerWaalsContact NH2-CG 3.29Å; W70-W72 PolarHBondContact O-N 3.26Å; W72-L76 VanDerWaalsContact O-CB 3.3Å; W72-L76 WeakPolarHBondContact O-CB 3.49Å
73G85.6Confident89.4Confident15 Ų1554.8 Ų54.816%0.15528%0.275CS..SBendtrans86144.9173.500000113R75 L76 Q77G73-R75 VanDerWaalsContact C-N 3.27Å; G73-R75 PolarHBondContact O-N 3.44Å; G73-L76 PolarHBondContact O-N 2.81Å; G73-L76 VanDerWaalsContact O-N 3.11Å; G73-Q77 PolarHBondContact O-N 3.27Å
74G91.6Very high89.2Confident4 Ų454.9 Ų54.94%0.04128%0.277CS..Hα-helixtrans-59.8-34.1-171.500000114.2T78 D330 G359G74-T78 WeakPolarHBondContact O-CB 3.25Å; G74-T78 PolarHBondContact O-N 2.94Å; G74-T78 PolarHBondContact O-OG1 2.94Å; G74-D330 VanDerWaalsContact CA-CG 3.49Å; G74-D330 WeakPolarHBondContact CA-O 3.33Å; G74-D330 WeakPolarHBondContact CA-OD2 3.43Å; G74-D330 PolarHBondContact N-OD2 3.47Å; G74-G359 VanDerWaalsContact CA-CA 3.43Å; G74-G359 WeakPolarHBondContact O-CA 3.3Å
75R94.4Very high89.1Confident90 Ų9047 Ų4734%0.3425%0.248SC..Hα-helixtrans-61.9-48.4175.2-60.9-177.1178.696.41.1112.2G73 T78 L79 E245 N248 L251 F252 P332G73-R75 VanDerWaalsContact C-N 3.27Å; G73-R75 PolarHBondContact O-N 3.44Å; R75-T78 PolarHBondContact O-N 3.49Å; R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 2.91Å; R75-L79 VanDerWaalsContact O-N 3.12Å; R75-E245 IonicContact NH2-OE2 3.22Å; R75-E245 PolarHBondContact NH2-OE2 3.16Å; R75-N248 PolarHBondContact NE-OD1 3.26Å; R75-N248 PolarHBondContact NH2-OD1 2.97Å; R75-L251 HydrophobicContact CB-CD1 4.26Å; R75-F252 HydrophobicContact CB-CE2 4.22Å; R75-F252 HydrophobicContact CB-CZ 4.1Å; R75-F252 HydrophobicContact CG-CE2 4.08Å; R75-F252 HydrophobicContact CG-CZ 4.44Å; R75-P332 HydrophobicContact CG-CB 4.3Å; R75-P332 HydrophobicContact CG-CG 4.27Å
76L92.3Very high89.2Confident73 Ų7348.9 Ų48.938%0.38226%0.261SS..Hα-helixtrans-67.6-42.7-179.6-175.559.6000110.8W72 G73 T78 L79 V80W72-L76 VanDerWaalsContact O-CB 3.3Å; W72-L76 WeakPolarHBondContact O-CB 3.49Å; G73-L76 PolarHBondContact O-N 2.81Å; G73-L76 VanDerWaalsContact O-N 3.11Å; L76-T78 VanDerWaalsContact C-N 3.3Å; L76-T78 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 3.12Å; L76-V80 HydrophobicContact CD1-CG2 3.77Å; L76-V80 HydrophobicContact CG-CG2 4.06Å; L76-V80 VanDerWaalsContact O-CB 3.3Å; L76-V80 WeakPolarHBondContact O-CB 3.31Å; L76-V80 VanDerWaalsContact O-CG2 3.25Å; L76-V80 WeakPolarHBondContact O-CG2 3.28Å; L76-V80 PolarHBondContact O-N 2.89Å
77Q92.8Very high89.4Confident1 Ų154.7 Ų54.71%0.00528%0.276CS..Hα-helixtrans-56.4-45.1174.1-73.9-163.968.500112.2C71 G73 L79 V80 C81 A362C71-Q77 HydrophobicContact CB-CG 4.48Å; C71-Q77 WeakPolarHBondContact O-CG 3.5Å; C71-Q77 VanDerWaalsContact SG-CA 3.53Å; G73-Q77 PolarHBondContact O-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.02Å; Q77-V80 PolarHBondContact O-N 3.43Å; Q77-C81 WeakPolarHBondContact O-CB 3.44Å; Q77-C81 PolarHBondContact O-N 3.25Å; Q77-A362 HydrophobicContact CB-CB 3.91Å; Q77-A362 WeakPolarHBondContact O-CB 3.47Å
78T94Very high89.6Confident17 Ų1754.4 Ų54.410%0.10427%0.274CS..Hα-helixtrans-58.9-49.1177.9-54.90000111.4G74 R75 L76 A82 F252 F333 H360G74-T78 WeakPolarHBondContact O-CB 3.25Å; G74-T78 PolarHBondContact O-N 2.94Å; G74-T78 PolarHBondContact O-OG1 2.94Å; R75-T78 PolarHBondContact O-N 3.49Å; L76-T78 VanDerWaalsContact C-N 3.3Å; L76-T78 PolarHBondContact O-N 3.42Å; T78-A82 PolarHBondContact O-N 2.77Å; T78-F252 HydrophobicContact CG2-CD1 4.26Å; T78-F252 HydrophobicContact CG2-CE1 3.6Å; T78-F252 HydrophobicContact CG2-CZ 4.1Å; T78-F333 HydrophobicContact CG2-CE2 4.19Å; T78-H360 HydrophobicContact CG2-CB 3.76Å; T78-H360 PolarHBondContact OG1-N 3.37Å
79L93.5Very high89.9Confident60 Ų6060.7 Ų60.731%0.31432%0.315SS..Hα-helixtrans-67-46.4-179.7-68.5170.1000112.2R75 L76 Q77 C81 A82 L83 L251 F252R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 2.91Å; R75-L79 VanDerWaalsContact O-N 3.12Å; L76-L79 PolarHBondContact O-N 3.12Å; Q77-L79 PolarHBondContact O-N 3.02Å; L79-C81 VanDerWaalsContact C-N 3.34Å; L79-C81 PolarHBondContact O-N 3.36Å; L79-A82 PolarHBondContact O-N 2.93Å; L79-L83 WeakPolarHBondContact O-CG 3.12Å; L79-L83 PolarHBondContact O-N 3.41Å; L79-L251 HydrophobicContact CD1-CD1 4.15Å; L79-L251 HydrophobicContact CD1-CD2 3.98Å; L79-L251 HydrophobicContact CD1-CG 4.45Å; L79-F252 HydrophobicContact CD2-CD1 4.22Å; L79-F252 HydrophobicContact CD2-CE1 3.58Å; L79-F252 HydrophobicContact CD2-CZ 4.35Å; L79-F252 HydrophobicContact CG-CE1 3.73Å; L79-F252 HydrophobicContact CG-CZ 4.09Å
80V91.1Very high90.4Very high17 Ų1759.8 Ų59.810%0.10331%0.308CS..Hα-helixtrans-65.4-39.2-177.9169.60000111W70 C71 L76 Q77 A82 L83 L84 L364W70-V80 HydrophobicContact CH2-CG1 3.75Å; W70-V80 HydrophobicContact CZ3-CG1 3.91Å; W70-V80 HydrophobicContact CZ3-CG2 4.31Å; C71-V80 VanDerWaalsContact SG-CB 3.56Å; L76-V80 HydrophobicContact CD1-CG2 3.77Å; L76-V80 HydrophobicContact CG-CG2 4.06Å; L76-V80 VanDerWaalsContact O-CB 3.3Å; L76-V80 WeakPolarHBondContact O-CB 3.31Å; L76-V80 VanDerWaalsContact O-CG2 3.25Å; L76-V80 WeakPolarHBondContact O-CG2 3.28Å; L76-V80 PolarHBondContact O-N 2.89Å; Q77-V80 PolarHBondContact O-N 3.43Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 2.98Å; V80-L83 PolarHBondContact O-N 3Å; V80-L83 VanDerWaalsContact O-N 3.17Å; V80-L84 HydrophobicContact CG1-CB 4.4Å; V80-L84 HydrophobicContact CG1-CD1 3.54Å; V80-L84 HydrophobicContact CG1-CG 4.03Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 PolarHBondContact O-N 3.32Å; V80-L364 HydrophobicContact CB-CD1 4.35Å; V80-L364 HydrophobicContact CG1-CD1 4Å
81C92Very high90.9Very high12 Ų1259.6 Ų59.68%0.08133%0.325CS..Hα-helixtrans-58-46.4175.4-178.80000111.4Q77 L79 L83 K85 I361 A362 L364Q77-C81 WeakPolarHBondContact O-CB 3.44Å; Q77-C81 PolarHBondContact O-N 3.25Å; L79-C81 VanDerWaalsContact C-N 3.34Å; L79-C81 PolarHBondContact O-N 3.36Å; C81-L83 PolarHBondContact O-N 2.79Å; C81-K85 WeakPolarHBondContact O-CB 3.44Å; C81-K85 PolarHBondContact O-N 3.23Å; C81-K85 VanDerWaalsContact O-N 3.12Å; C81-I361 PolarHBondContact SG-O 3.25Å; C81-I361 VanDerWaalsContact SG-O 3.35Å; C81-A362 HydrophobicContact CB-CB 3.58Å; C81-L364 HydrophobicContact CB-CD1 4.18Å; C81-L364 HydrophobicContact CB-CD2 4.05Å; C81-L364 HydrophobicContact CB-CG 4.36Å
82A87.7Confident91.5Very high73 Ų7361.4 Ų61.460%0.60333%0.332SS*.Hα-helixtrans-60.3-27.9179.300000113.3T78 L79 V80T78-A82 PolarHBondContact O-N 2.77Å; L79-A82 PolarHBondContact O-N 2.93Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 2.98Å
83L87.7Confident92.5Very high149 Ų14959.6 Ų59.678%0.7833%0.325SS*.Hα-helixtrans-95.8-38.1-177.5-62.9175.3000114L79 V80 C81L79-L83 WeakPolarHBondContact O-CG 3.12Å; L79-L83 PolarHBondContact O-N 3.41Å; V80-L83 PolarHBondContact O-N 3Å; V80-L83 VanDerWaalsContact O-N 3.17Å; C81-L83 PolarHBondContact O-N 2.79Å
84L88.9Confident93Very high64 Ų6462.8 Ų62.834%0.33534%0.338SS..Hα-helixtrans-103.1-18.9-169.4-66-172.1000114.8W70 V80 S86W70-L84 HydrophobicContact CH2-CD1 3.67Å; W70-L84 HydrophobicContact CZ2-CD1 4.42Å; V80-L84 HydrophobicContact CG1-CB 4.4Å; V80-L84 HydrophobicContact CG1-CD1 3.54Å; V80-L84 HydrophobicContact CG1-CG 4.03Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 PolarHBondContact O-N 3.32Å; L84-S86 PolarHBondContact O-N 3.44Å
85K91.4Very high93.3Very high13 Ų1364.7 Ų64.76%0.05735%0.346CS..  trans-65.6128.3-175.4-165.5167.2-179.486.60110C81 P140 E376C81-K85 WeakPolarHBondContact O-CB 3.44Å; C81-K85 PolarHBondContact O-N 3.23Å; C81-K85 VanDerWaalsContact O-N 3.12Å; K85-P140 HydrophobicContact CB-CB 4.07Å; K85-P140 HydrophobicContact CD-CB 4.06Å; K85-P140 HydrophobicContact CG-CB 3.95Å; K85-E376 WeakPolarHBondContact CE-OE1 3.16Å; K85-E376 IonicContact NZ-OE1 3.94Å; K85-E376 PolarHBondContact NZ-OE1 2.76Å; K85-E376 IonicContact NZ-OE2 2.74Å; K85-E376 PolarHBondContact NZ-OE2 2.75Å
86S93.4Very high93.4Very high46 Ų4664.4 Ų64.432%0.32235%0.351SS..  trans-64.8156.3178.661.10000111.4L84 H144 R370L84-S86 PolarHBondContact O-N 3.44Å; S86-H144 PolarHBondContact O-CD2 3.02Å; S86-H144 PolarHBondContact O-NE2 2.9Å; S86-H144 PolarHBondContact OG-CE1 3.37Å; S86-H144 PolarHBondContact OG-NE2 3.23Å; S86-R370 WeakPolarHBondContact CB-O 3.42Å; S86-R370 PolarHBondContact N-O 2.84Å; S86-R370 PolarHBondContact OG-O 2.02Å
87R94.8Very high93.5Very high176 Ų17661.4 Ų61.466%0.66434%0.335SS*.  trans-112.597.6174.3-66.8-178.4-174.3153.32.1108.2P140 L143R87-P140 HydrophobicContact CG-CB 4.39Å; R87-P140 HydrophobicContact CG-CG 4.01Å; R87-L143 HydrophobicContact CB-CD1 3.72Å; R87-L143 HydrophobicContact CG-CD1 3.99Å
88P93.9Very high93.7Very high22 Ų2268.8 Ų68.814%0.14336%0.363CS..  trans-63.2145.8175.825.6-31.5000109.6V90 L143P88-V90 PolarHBondContact O-N 3.01Å; P88-L143 HydrophobicContact CG-CB 3.85Å
89P94.1Very high93.7Very high134 Ų13468.5 Ų68.587%0.8736%0.361SS*.  trans-68.2127.5179.828.3-33.5000109.9
90V95.4Very high93.6Very high35 Ų3572.6 Ų72.621%0.21239%0.389CS..  trans-134.5128.9174.5-178.30000108P88 Y92 V110 L143 V146P88-V90 PolarHBondContact O-N 3.01Å; V90-Y92 HydrophobicContact CB-CE2 3.99Å; V90-Y92 HydrophobicContact CG1-CD1 4.01Å; V90-Y92 HydrophobicContact CG1-CD2 4.14Å; V90-Y92 HydrophobicContact CG1-CE1 3.56Å; V90-Y92 HydrophobicContact CG1-CE2 3.68Å; V90-Y92 HydrophobicContact CG1-CG 4.3Å; V90-V110 HydrophobicContact CG1-CG2 3.65Å; V90-L143 HydrophobicContact CB-CD2 3.78Å; V90-L143 HydrophobicContact CG2-CB 4.33Å; V90-L143 HydrophobicContact CG2-CD2 3.72Å; V90-V146 HydrophobicContact CG1-CG1 3.78Å; V90-V146 HydrophobicContact CG2-CG1 4.29Å
91S95Very high93.7Very high112 Ų11274.7 Ų74.778%0.78340%0.4SS*.  trans-100.4120173.5-1710000108.9
92Y96.9Very high93.8Very high39 Ų3976.3 Ų76.315%0.15342%0.418CS..  trans-103.8139.8-178.5-67-70.1000111.3V90 D108 W109 V110 S137 L143 V146 V158V90-Y92 HydrophobicContact CB-CE2 3.99Å; V90-Y92 HydrophobicContact CG1-CD1 4.01Å; V90-Y92 HydrophobicContact CG1-CD2 4.14Å; V90-Y92 HydrophobicContact CG1-CE1 3.56Å; V90-Y92 HydrophobicContact CG1-CE2 3.68Å; V90-Y92 HydrophobicContact CG1-CG 4.3Å; Y92-D108 HydrophobicContact CD1-CB 3.64Å; Y92-D108 HydrophobicContact CD2-CB 4.47Å; Y92-D108 HydrophobicContact CE1-CB 4.19Å; Y92-D108 HydrophobicContact CG-CB 3.79Å; Y92-W109 WeakPolarHBondContact CA-O 3.36Å; Y92-V110 HydrophobicContact CD1-CG2 3.52Å; Y92-V110 HydrophobicContact CE1-CG2 3.61Å; Y92-S137 PolarHBondContact OH-O 3.38Å; Y92-L143 HydrophobicContact CE2-CD2 3.95Å; Y92-V146 HydrophobicContact CE1-CG1 4.48Å; Y92-V146 HydrophobicContact CE1-CG2 4.31Å; Y92-V158 HydrophobicContact CE1-CG2 4.06Å
93R96.4Very high94.1Very high100 Ų10072.9 Ų72.938%0.37739%0.39SS..EExtended strand (participates in β ladder)trans-91.3111.2158.6177.1179.862.976.4-1.1107.7E95 W109 D111R93-E95 IonicContact NH1-OE2 3.55Å; R93-E95 PolarHBondContact NH1-OE2 2.92Å; R93-W109 HydrophobicContact CB-CB 4.35Å; R93-W109 PolarHBondContact N-O 3.37Å; R93-W109 WeakPolarHBondContact O-CB 3.47Å; R93-W109 PolarHBondContact O-N 3.23Å; R93-D111 IonicContact CZ-OD1 2.81Å; R93-D111 IonicContact CZ-OD2 3.82Å; R93-D111 IonicContact NE-OD1 3.58Å; R93-D111 IonicContact NE-OD2 3.1Å; R93-D111 PolarHBondContact NE-OD2 2.92Å; R93-D111 IonicContact NH2-OD1 3.95Å; R93-D111 PolarHBondContact NH2-OD1 2.92Å; R93-D111 IonicContact NH2-OD2 3.03Å; R93-D111 PolarHBondContact NH2-OD2 3.3Å
94N96.5Very high94.4Very high81 Ų8166.9 Ų66.943%0.43336%0.358SS..EExtended strand (participates in β ladder)trans-78.7140.8176.2-174.3-101.3000111S106 L107 D108N94-S106 PolarHBondContact ND2-OG 3.14Å; N94-L107 CarbonylContact C-O 3.57Å; N94-L107 WeakPolarHBondContact CA-O 3.26Å; N94-D108 PolarHBondContact ND2-OD1 2.78Å
95E96.8Very high94.8Very high44 Ų4463.8 Ų63.821%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-136129.2174.3-177.3-179.816500109.6R93 I97 L107 W109 H189R93-E95 IonicContact NH1-OE2 3.55Å; R93-E95 PolarHBondContact NH1-OE2 2.92Å; E95-I97 HydrophobicContact CG-CG2 4.21Å; E95-L107 HydrophobicContact CB-CB 4.49Å; E95-L107 PolarHBondContact N-O 3.46Å; E95-L107 PolarHBondContact O-N 3.47Å; E95-W109 PolarHBondContact OE2-NE1 2.69Å; E95-H189 IonicContact OE1-CD2 2.71Å; E95-H189 IonicContact OE1-CE1 3.17Å; E95-H189 PolarHBondContact OE1-CE1 3.14Å; E95-H189 IonicContact OE1-NE2 2.8Å; E95-H189 PolarHBondContact OE1-NE2 3.16Å
96L96.2Very high95Very high85 Ų8563.3 Ų63.345%0.44534%0.34SS..EExtended strand (participates in β ladder)trans-101.5115.1174.9-63.6176.6000109.4I105 E167L96-I105 WeakPolarHBondContact CA-O 3.3Å; L96-E167 HydrophobicContact CD2-CB 4.45Å
97I96.2Very high95.2Very high10 Ų1061.1 Ų61.15%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-98.3143.7175.867.4174.3000110.4E95 Q104 I105 L107 V186 H189E95-I97 HydrophobicContact CG-CG2 4.21Å; I97-Q104 CarbonylContact O-C 3.36Å; I97-Q104 VanDerWaalsContact O-CA 3.23Å; I97-Q104 WeakPolarHBondContact O-CA 3.5Å; I97-I105 HydrophobicContact CD1-CB 4.2Å; I97-I105 HydrophobicContact CD1-CD1 4.45Å; I97-I105 HydrophobicContact CD1-CG2 4.39Å; I97-I105 HydrophobicContact CG1-CB 3.73Å; I97-I105 HydrophobicContact CG1-CG2 4.28Å; I97-I105 PolarHBondContact N-O 3.45Å; I97-I105 PolarHBondContact O-N 3.05Å; I97-L107 HydrophobicContact CD1-CD1 4.07Å; I97-L107 HydrophobicContact CD1-CG 4.48Å; I97-L107 HydrophobicContact CG2-CD1 4.16Å; I97-V186 HydrophobicContact CD1-CG2 3.88Å; I97-H189 HydrophobicContact CD1-CB 4.4Å
98R95.6Very high95.4Very high156 Ų15653.4 Ų53.459%0.58930%0.297SS*.EExtended strand (participates in β ladder)trans-90.3133.9179.6-66.5-65.8-177.9178.7-5.5110.6H185R98-H185 PolarHBondContact O-NE2 3.14Å; R98-H185 VanDerWaalsContact O-NE2 3.1Å
99T94.3Very high95.6Very high11 Ų1152.4 Ų52.47%0.06729%0.29CS..PPolyproline II helixtrans-98.8160.2179540000111D101 G102 G103 I105 R162T99-D101 WeakPolarHBondContact CB-OD1 3.4Å; T99-D101 PolarHBondContact O-N 3.41Å; T99-D101 PolarHBondContact OG1-OD1 2.82Å; T99-G102 PolarHBondContact O-N 2.94Å; T99-G103 PolarHBondContact N-O 3.31Å; T99-G103 WeakPolarHBondContact OG1-CA 3.35Å; T99-G103 PolarHBondContact OG1-N 3.29Å; T99-G103 VanDerWaalsContact OG1-N 3.13Å; T99-G103 PolarHBondContact OG1-O 2.8Å; T99-I105 HydrophobicContact CG2-CD1 3.39Å; T99-I105 HydrophobicContact CG2-CG1 3.7Å; T99-R162 VanDerWaalsContact CB-NH2 3.3Å; T99-R162 VanDerWaalsContact CG2-NH2 3.3Å; T99-R162 PolarHBondContact OG1-NH1 3.24Å; T99-R162 PolarHBondContact OG1-NH2 2.84Å
100T91.6Very high95.8Very high145 Ų14547.2 Ų47.289%0.8926%0.256SS*.THydrogen-bonded Turntrans-63.2-25.1-174.750.60000113.8G102T100-G102 PolarHBondContact O-N 3.16Å
101D93.1Very high95.8Very high62 Ų6246.3 Ų46.333%0.33225%0.249SC..THydrogen-bonded Turntrans-78.71.4173.668.6-43.4000113.4T99 G103 R162 T171 V173T99-D101 WeakPolarHBondContact CB-OD1 3.4Å; T99-D101 PolarHBondContact O-N 3.41Å; T99-D101 PolarHBondContact OG1-OD1 2.82Å; D101-G103 VanDerWaalsContact C-N 3.31Å; D101-G103 PolarHBondContact OD1-N 3.13Å; D101-R162 VanDerWaalsContact CG-NH1 3.33Å; D101-R162 IonicContact OD1-CZ 3.01Å; D101-R162 IonicContact OD1-NH1 2.8Å; D101-R162 PolarHBondContact OD1-NH1 2.82Å; D101-R162 IonicContact OD1-NH2 3.5Å; D101-R162 PolarHBondContact OD1-NH2 2.96Å; D101-R162 IonicContact OD2-CZ 2.9Å; D101-R162 IonicContact OD2-NH1 3.6Å; D101-R162 PolarHBondContact OD2-NH1 3.37Å; D101-R162 IonicContact OD2-NH2 3.97Å; D101-T171 WeakPolarHBondContact O-CG2 3.33Å; D101-T171 WeakPolarHBondContact OD2-CB 3.45Å; D101-T171 PolarHBondContact OD2-OG1 2.86Å; D101-V173 WeakPolarHBondContact OD2-CG2 3.44Å
102G93.5Very high95.8Very high45 Ų4542.3 Ų42.346%0.46422%0.219SC..SBendtrans843.8-175.100000114.2T99 T100T99-G102 PolarHBondContact O-N 2.94Å; T100-G102 PolarHBondContact O-N 3.16Å
103G94.4Very high95.6Very high1 Ų146.2 Ų46.21%0.0124%0.239CC..  trans-73.7-170.5175.100000113.3T99 D101 T171T99-G103 PolarHBondContact N-O 3.31Å; T99-G103 WeakPolarHBondContact OG1-CA 3.35Å; T99-G103 PolarHBondContact OG1-N 3.29Å; T99-G103 VanDerWaalsContact OG1-N 3.13Å; T99-G103 PolarHBondContact OG1-O 2.8Å; D101-G103 VanDerWaalsContact C-N 3.31Å; D101-G103 PolarHBondContact OD1-N 3.13Å; G103-T171 VanDerWaalsContact N-CG2 3.35Å
104Q94.8Very high95.3Very high23 Ų2347.4 Ų47.411%0.10726%0.257CS..EExtended strand (participates in β ladder)trans-144.5147.5174.464.5-173.7-8.700111.5I97 E167 E168 L170I97-Q104 CarbonylContact O-C 3.36Å; I97-Q104 VanDerWaalsContact O-CA 3.23Å; I97-Q104 WeakPolarHBondContact O-CA 3.5Å; Q104-E167 HydrophobicContact CG-CG 4.47Å; Q104-E168 PolarHBondContact NE2-O 2.93Å; Q104-L170 HydrophobicContact CB-CD1 4.2Å; Q104-L170 VanDerWaalsContact CD-CD1 3.47Å; Q104-L170 HydrophobicContact CG-CD1 3.84Å; Q104-L170 HydrophobicContact CG-CG 4.13Å
105I95.8Very high95.1Very high0 Ų044.1 Ų44.10%024%0.24CC..EExtended strand (participates in β ladder)trans-121.9137.4174.8-66.1165.2000108.4L96 I97 T99 L107 F159 R162 D182 V186L96-I105 WeakPolarHBondContact CA-O 3.3Å; I97-I105 HydrophobicContact CD1-CB 4.2Å; I97-I105 HydrophobicContact CD1-CD1 4.45Å; I97-I105 HydrophobicContact CD1-CG2 4.39Å; I97-I105 HydrophobicContact CG1-CB 3.73Å; I97-I105 HydrophobicContact CG1-CG2 4.28Å; I97-I105 PolarHBondContact N-O 3.45Å; I97-I105 PolarHBondContact O-N 3.05Å; T99-I105 HydrophobicContact CG2-CD1 3.39Å; T99-I105 HydrophobicContact CG2-CG1 3.7Å; I105-L107 HydrophobicContact CG2-CD2 4.07Å; I105-F159 HydrophobicContact CD1-CE2 4.38Å; I105-F159 HydrophobicContact CG1-CE2 4.46Å; I105-F159 HydrophobicContact CG2-CD2 3.62Å; I105-F159 HydrophobicContact CG2-CE2 3.47Å; I105-F159 VanDerWaalsContact CG2-CE2 3.47Å; I105-R162 HydrophobicContact CG1-CG 3.93Å; I105-D182 HydrophobicContact CD1-CB 3.71Å; I105-V186 HydrophobicContact CD1-CG2 4.17Å; I105-V186 HydrophobicContact CG2-CG2 3.94Å
106S96.6Very high94.9Very high2 Ų250.9 Ų50.91%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-98.4121.3178.9178.90000111.1N94 N160 E167N94-S106 PolarHBondContact ND2-OG 3.14Å; S106-N160 WeakPolarHBondContact O-CB 3.47Å; S106-N160 PolarHBondContact O-N 3.16Å; S106-N160 PolarHBondContact O-ND2 3.33Å; S106-E167 WeakPolarHBondContact CB-OE2 3.33Å
107L97.8Very high94.8Very high0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-112.4123.9176.5-61.1-174.5000110.1N94 E95 I97 I105 W109 V157 V158 F159 V186N94-L107 CarbonylContact C-O 3.57Å; N94-L107 WeakPolarHBondContact CA-O 3.26Å; E95-L107 HydrophobicContact CB-CB 4.49Å; E95-L107 PolarHBondContact N-O 3.46Å; E95-L107 PolarHBondContact O-N 3.47Å; I97-L107 HydrophobicContact CD1-CD1 4.07Å; I97-L107 HydrophobicContact CD1-CG 4.48Å; I97-L107 HydrophobicContact CG2-CD1 4.16Å; I105-L107 HydrophobicContact CG2-CD2 4.07Å; L107-W109 HydrophobicContact CD1-CZ2 3.88Å; L107-V157 HydrophobicContact CB-CG1 4.14Å; L107-V157 HydrophobicContact CD1-CG1 4.3Å; L107-V157 HydrophobicContact CD2-CG1 4.25Å; L107-V157 HydrophobicContact CG-CG1 4.47Å; L107-V158 WeakPolarHBondContact CA-O 3.5Å; L107-F159 HydrophobicContact CD2-CB 4.27Å; L107-F159 HydrophobicContact CD2-CD2 4.17Å; L107-V186 HydrophobicContact CD1-CG1 4.28Å; L107-V186 HydrophobicContact CD2-CG1 3.84Å; L107-V186 HydrophobicContact CD2-CG2 3.93Å
108D98.1Very high94.7Very high15 Ų1552.9 Ų52.98%0.0828%0.284CS..EExtended strand (participates in β ladder)trans-102.1112.1174.4-72.8-38.5000110.3Y92 N94 S137 V158 N160Y92-D108 HydrophobicContact CD1-CB 3.64Å; Y92-D108 HydrophobicContact CD2-CB 4.47Å; Y92-D108 HydrophobicContact CE1-CB 4.19Å; Y92-D108 HydrophobicContact CG-CB 3.79Å; N94-D108 PolarHBondContact ND2-OD1 2.78Å; D108-S137 WeakPolarHBondContact OD2-CB 3.43Å; D108-S137 PolarHBondContact OD2-OG 3.11Å; D108-V158 HydrophobicContact CB-CB 4.25Å; D108-V158 PolarHBondContact N-O 3.44Å; D108-V158 PolarHBondContact O-N 3.4Å; D108-N160 PolarHBondContact OD2-ND2 3.47Å
109W98.4Very high94.6Very high1 Ų150.1 Ų50.10%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-97.7140.7-174.5-62.781.1000112Y92 R93 E95 L107 R155 C156 V157 V190 L193 Y194Y92-W109 WeakPolarHBondContact CA-O 3.36Å; R93-W109 HydrophobicContact CB-CB 4.35Å; R93-W109 PolarHBondContact N-O 3.37Å; R93-W109 WeakPolarHBondContact O-CB 3.47Å; R93-W109 PolarHBondContact O-N 3.23Å; E95-W109 PolarHBondContact OE2-NE1 2.69Å; L107-W109 HydrophobicContact CD1-CZ2 3.88Å; W109-R155 HydrophobicContact CE3-CG 4.46Å; W109-C156 WeakPolarHBondContact CA-O 3.11Å; W109-V157 HydrophobicContact CD2-CB 4.48Å; W109-V157 HydrophobicContact CD2-CG1 3.98Å; W109-V157 HydrophobicContact CD2-CG2 3.9Å; W109-V157 HydrophobicContact CE3-CB 4.34Å; W109-V157 HydrophobicContact CE3-CG1 4.27Å; W109-V157 HydrophobicContact CE3-CG2 3.32Å; W109-V157 HydrophobicContact CH2-CG1 4.23Å; W109-V157 HydrophobicContact CH2-CG2 3.72Å; W109-V157 HydrophobicContact CZ2-CG1 3.96Å; W109-V157 HydrophobicContact CZ2-CG2 4.26Å; W109-V157 HydrophobicContact CZ3-CB 4.41Å; W109-V157 HydrophobicContact CZ3-CG1 4.38Å; W109-V157 HydrophobicContact CZ3-CG2 3.21Å; W109-V190 HydrophobicContact CH2-CG2 3.82Å; W109-V190 HydrophobicContact CZ2-CG2 4.36Å; W109-L193 HydrophobicContact CH2-CD1 3.83Å; W109-L193 HydrophobicContact CZ2-CD1 4.01Å; W109-Y194 HydrophobicContact CH2-CE2 4.49Å; W109-Y194 AromaticContact CZ3-CE2 3.99Å; W109-Y194 HydrophobicContact CZ3-CE2 3.99Å
110V98.1Very high94.6Very high25 Ų2554 Ų5415%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-122.397.6157-172.20000107.3V90 Y92 N112 V146 T150 C156V90-V110 HydrophobicContact CG1-CG2 3.65Å; Y92-V110 HydrophobicContact CD1-CG2 3.52Å; Y92-V110 HydrophobicContact CE1-CG2 3.61Å; V110-N112 PolarHBondContact O-N 3.41Å; V110-V146 HydrophobicContact CB-CG1 4.28Å; V110-V146 HydrophobicContact CG2-CG1 3.74Å; V110-T150 HydrophobicContact CB-CG2 4.18Å; V110-T150 HydrophobicContact CG1-CG2 3.63Å; V110-C156 HydrophobicContact CB-CB 4.3Å; V110-C156 PolarHBondContact N-O 3Å; V110-C156 PolarHBondContact O-N 2.8Å
111D96Very high94.7Very high15 Ų1548.8 Ų48.88%0.0828%0.276CS..  trans-69.1-24.8-172.2-64.2-52.4000113.2R93 H113 R124R93-D111 IonicContact CZ-OD1 2.81Å; R93-D111 IonicContact CZ-OD2 3.82Å; R93-D111 IonicContact NE-OD1 3.58Å; R93-D111 IonicContact NE-OD2 3.1Å; R93-D111 PolarHBondContact NE-OD2 2.92Å; R93-D111 IonicContact NH2-OD1 3.95Å; R93-D111 PolarHBondContact NH2-OD1 2.92Å; R93-D111 IonicContact NH2-OD2 3.03Å; R93-D111 PolarHBondContact NH2-OD2 3.3Å; D111-H113 WeakPolarHBondContact CB-CE1 3.48Å; D111-H113 WeakPolarHBondContact CB-NE2 3.49Å; D111-H113 IonicContact OD2-CE1 3.74Å; D111-H113 IonicContact OD2-NE2 3.52Å; D111-H113 PolarHBondContact OD2-NE2 2.82Å; D111-R124 PolarHBondContact O-NH1 2.9Å
112N95.4Very high94.8Very high28 Ų2847.3 Ų47.315%0.1528%0.275CS..  trans56.546-179.4-155.712.8000113.9V110 T114 S115 R124 T150 G153 Y154V110-N112 PolarHBondContact O-N 3.41Å; N112-T114 PolarHBondContact O-N 2.92Å; N112-T114 VanDerWaalsContact O-N 3.14Å; N112-S115 WeakPolarHBondContact O-CB 3.17Å; N112-S115 PolarHBondContact O-N 2.87Å; N112-S115 VanDerWaalsContact O-N 3.14Å; N112-R124 PolarHBondContact O-NH1 2.81Å; N112-T150 WeakPolarHBondContact ND2-CA 3.39Å; N112-T150 PolarHBondContact ND2-O 3.02Å; N112-G153 VanDerWaalsContact ND2-CA 3.26Å; N112-G153 WeakPolarHBondContact ND2-CA 3.5Å; N112-G153 PolarHBondContact ND2-O 2.9Å; N112-Y154 VanDerWaalsContact CB-O 3.3Å; N112-Y154 WeakPolarHBondContact CB-O 3.37Å; N112-Y154 PolarHBondContact ND2-N 3.45Å; N112-Y154 PolarHBondContact ND2-O 3.44Å
113H91.7Very high94.9Very high121 Ų12148.4 Ų48.456%0.5627%0.273SS*.THydrogen-bonded Turntrans-58.1-26.1-174.6-64.6-57.2000114.9D111 S115D111-H113 WeakPolarHBondContact CB-CE1 3.48Å; D111-H113 WeakPolarHBondContact CB-NE2 3.49Å; D111-H113 IonicContact OD2-CE1 3.74Å; D111-H113 IonicContact OD2-NE2 3.52Å; D111-H113 PolarHBondContact OD2-NE2 2.82Å; H113-S115 VanDerWaalsContact C-N 3.3Å; H113-S115 PolarHBondContact O-N 3.3Å
114T90.4Very high95.1Very high126 Ų12648.5 Ų48.577%0.77327%0.273SS*.THydrogen-bonded Turntrans-90.715.5-178.558.10000113.1N112 E116N112-T114 PolarHBondContact O-N 2.92Å; N112-T114 VanDerWaalsContact O-N 3.14Å; T114-E116 PolarHBondContact O-N 3.28Å
115S92.6Very high95.3Very high11 Ų1147.7 Ų47.78%0.07727%0.27CS..  trans-67.7118.7178.3179.20000111.4N112 H113 T117 Y118 P119 G153N112-S115 WeakPolarHBondContact O-CB 3.17Å; N112-S115 PolarHBondContact O-N 2.87Å; N112-S115 VanDerWaalsContact O-N 3.14Å; H113-S115 VanDerWaalsContact C-N 3.3Å; H113-S115 PolarHBondContact O-N 3.3Å; S115-T117 PolarHBondContact OG-N 3.45Å; S115-Y118 CarbonylContact O-C 3.53Å; S115-Y118 PolarHBondContact OG-N 3.14Å; S115-P119 WeakPolarHBondContact O-CA 3.34Å; S115-G153 WeakPolarHBondContact OG-CA 3.1Å; S115-G153 PolarHBondContact OG-O 3.38Å
116E92.4Very high95.4Very high187 Ų18747.7 Ų47.787%0.87427%0.27SS*.SBendtrans-73-33.4171.8-63.8180177.900112.1T114T114-E116 PolarHBondContact O-N 3.28Å
117T93.1Very high95.5Very high91 Ų9147.6 Ų47.656%0.55827%0.269SS*.SBendtrans-69.7-36.9179-43.10000112.3S115S115-T117 PolarHBondContact OG-N 3.45Å
118Y94.4Very high95.6Very high45 Ų4547.6 Ų47.618%0.17627%0.269CS..  trans-130.174.6179.9-62.2-82.2000110.2S115 D120 R124 P125 Y154S115-Y118 CarbonylContact O-C 3.53Å; S115-Y118 PolarHBondContact OG-N 3.14Å; Y118-D120 PolarHBondContact O-N 3.46Å; Y118-R124 VanDerWaalsContact O-CZ 3.31Å; Y118-R124 PolarHBondContact O-NE 3.42Å; Y118-R124 PolarHBondContact O-NH2 2.85Å; Y118-P125 HydrophobicContact CD1-CG 4.05Å; Y118-P125 HydrophobicContact CE1-CG 3.66Å; Y118-P125 HydrophobicContact CE2-CG 4.47Å; Y118-Y154 HydrophobicContact CD2-CD1 4.18Å; Y118-Y154 HydrophobicContact CD2-CE1 4.27Å; Y118-Y154 AromaticContact CE2-CD1 3.78Å; Y118-Y154 HydrophobicContact CE2-CD1 3.78Å; Y118-Y154 AromaticContact CE2-CE1 3.43Å; Y118-Y154 HydrophobicContact CE2-CE1 3.43Å; Y118-Y154 VanDerWaalsContact CE2-CE1 3.43Å; Y118-Y154 AromaticContact CZ-CE1 3.87Å
119P93.1Very high95.6Very high99 Ų9947 Ų4764%0.64327%0.266SS*.  trans-68.8-34.9-17627-33.7000112S115 S121 R124S115-P119 WeakPolarHBondContact O-CA 3.34Å; P119-S121 PolarHBondContact O-N 2.62Å; P119-R124 PolarHBondContact O-NH2 3.13Å
120D95.4Very high95.6Very high93 Ų9347 Ų4750%0.49727%0.266SS..  trans-77.7113.5177.1-177.94.8000111.6Y118 G122 V123 R124Y118-D120 PolarHBondContact O-N 3.46Å; D120-G122 VanDerWaalsContact C-N 3.28Å; D120-G122 PolarHBondContact O-N 2.87Å; D120-G122 PolarHBondContact OD1-N 3.35Å; D120-V123 HydrophobicContact CB-CG2 3.9Å; D120-R124 PolarHBondContact O-N 3.06Å
121S93.6Very high95.5Very high35 Ų3545.9 Ų45.925%0.24526%0.259CS..THydrogen-bonded Turntrans-63.2-30.4177.3-167.70000112.8P119 V123 R155 Y194P119-S121 PolarHBondContact O-N 2.62Å; S121-V123 VanDerWaalsContact C-N 3.3Å; S121-V123 PolarHBondContact O-N 3.48Å; S121-R155 PolarHBondContact O-NH2 3.43Å; S121-R155 PolarHBondContact OG-NH2 3.18Å; S121-Y194 WeakPolarHBondContact O-CD1 3.34Å
122G95.1Very high95.4Very high31 Ų3145.3 Ų45.332%0.3226%0.257SS..THydrogen-bonded Turntrans-66.4-29.5-176.100000114.2D120 A197D120-G122 VanDerWaalsContact C-N 3.28Å; D120-G122 PolarHBondContact O-N 2.87Å; D120-G122 PolarHBondContact OD1-N 3.35Å; G122-A197 PolarHBondContact O-N 3.47Å
123V96.3Very high95.2Very high68 Ų6846.1 Ų46.141%0.41226%0.261SS..THydrogen-bonded Turntrans-113.9-3.5-178-60.60000113.6D120 S121 P125 Q196D120-V123 HydrophobicContact CB-CG2 3.9Å; S121-V123 VanDerWaalsContact C-N 3.3Å; S121-V123 PolarHBondContact O-N 3.48Å; V123-P125 WeakPolarHBondContact O-CD 3.28Å; V123-Q196 HydrophobicContact CG1-CB 3.95Å
124R97.8Very high94.8Very high2 Ų242.1 Ų42.11%0.00825%0.245CC..  trans-55.4121.6-178-175.3175.7-61.4137.85.8111.1D111 N112 Y118 P119 D120 T126 G153 R155 A197D111-R124 PolarHBondContact O-NH1 2.9Å; N112-R124 PolarHBondContact O-NH1 2.81Å; Y118-R124 VanDerWaalsContact O-CZ 3.31Å; Y118-R124 PolarHBondContact O-NE 3.42Å; Y118-R124 PolarHBondContact O-NH2 2.85Å; P119-R124 PolarHBondContact O-NH2 3.13Å; D120-R124 PolarHBondContact O-N 3.06Å; R124-T126 PolarHBondContact O-N 2.99Å; R124-T126 PolarHBondContact O-OG1 2.73Å; R124-G153 WeakPolarHBondContact CD-O 3.36Å; R124-R155 HydrophobicContact CG-CB 4.29Å; R124-R155 PolarHBondContact O-NH1 3.45Å; R124-A197 VanDerWaalsContact O-CB 3.26Å; R124-A197 WeakPolarHBondContact O-CB 3.39Å
125P98.3Very high94.7Very high6 Ų636.2 Ų36.24%0.03921%0.209CC..  trans-54.5138.5177.5-25.733.6000111.8Y118 V123 Y154 R155 P198 F387Y118-P125 HydrophobicContact CD1-CG 4.05Å; Y118-P125 HydrophobicContact CE1-CG 3.66Å; Y118-P125 HydrophobicContact CE2-CG 4.47Å; V123-P125 WeakPolarHBondContact O-CD 3.28Å; P125-Y154 HydrophobicContact CB-CD1 3.8Å; P125-Y154 HydrophobicContact CB-CE1 4.34Å; P125-Y154 HydrophobicContact CB-CG 4.45Å; P125-Y154 HydrophobicContact CG-CD1 4.05Å; P125-Y154 HydrophobicContact CG-CE1 4.32Å; P125-R155 PolarHBondContact O-N 2.97Å; P125-P198 HydrophobicContact CB-CG 4.06Å; P125-P198 HydrophobicContact CG-CG 4.15Å; P125-F387 HydrophobicContact CB-CB 4.28Å; P125-F387 HydrophobicContact CB-CD1 3.82Å; P125-F387 HydrophobicContact CB-CD2 3.48Å; P125-F387 VanDerWaalsContact CB-CD2 3.48Å; P125-F387 HydrophobicContact CB-CE1 3.9Å; P125-F387 HydrophobicContact CB-CE2 3.55Å; P125-F387 HydrophobicContact CB-CG 3.61Å; P125-F387 HydrophobicContact CB-CZ 3.76Å; P125-F387 HydrophobicContact CG-CB 4.25Å; P125-F387 HydrophobicContact CG-CD1 4.47Å; P125-F387 HydrophobicContact CG-CD2 4.29Å; P125-F387 HydrophobicContact CG-CG 4.12Å
126T98.7Very high94.8Very high0 Ų037.2 Ų37.20%021%0.214CC..EExtended strand (participates in β ladder)trans-120.3127.5-173.8-60.50000110.5R124 R155 V157 V190 P198 V199 L200R124-T126 PolarHBondContact O-N 2.99Å; R124-T126 PolarHBondContact O-OG1 2.73Å; T126-R155 CarbonylContact C-O 3.59Å; T126-R155 WeakPolarHBondContact CA-O 3.42Å; T126-R155 HydrophobicContact CG2-CB 4.37Å; T126-R155 HydrophobicContact CG2-CG 4.13Å; T126-R155 PolarHBondContact OG1-NH1 3.48Å; T126-R155 VanDerWaalsContact OG1-NH1 3.15Å; T126-V157 HydrophobicContact CG2-CG2 3.77Å; T126-V190 HydrophobicContact CG2-CG1 4.05Å; T126-P198 PolarHBondContact N-O 3.03Å; T126-V199 CarbonylContact O-C 3.58Å; T126-V199 VanDerWaalsContact O-CA 3.3Å; T126-V199 WeakPolarHBondContact O-CA 3.35Å; T126-L200 PolarHBondContact O-N 2.81Å
127V98.8Very high94.9Very high0 Ų028.6 Ų28.60%017%0.174CC..EExtended strand (participates in β ladder)trans-101.8116.7173.4-171.90000109.4I129 A149 Y154 R155 C156 V157 L200 A202 F379 V383 F387V127-I129 HydrophobicContact CG1-CG1 3.98Å; V127-A149 HydrophobicContact CG2-CB 4.03Å; V127-Y154 HydrophobicContact CG2-CD2 4.44Å; V127-R155 PolarHBondContact N-O 3.26Å; V127-C156 WeakPolarHBondContact O-CA 3.45Å; V127-V157 PolarHBondContact O-N 2.88Å; V127-L200 HydrophobicContact CG1-CD2 4.16Å; V127-A202 HydrophobicContact CG1-CB 4.18Å; V127-F379 HydrophobicContact CG1-CE2 4.16Å; V127-F379 HydrophobicContact CG1-CZ 3.92Å; V127-V383 HydrophobicContact CG2-CG1 3.68Å; V127-F387 HydrophobicContact CG2-CE2 3.85Å; V127-F387 HydrophobicContact CG2-CZ 4.29Å
128L98.9Very high95Very high0 Ų029.1 Ų29.10%017%0.17CC..EExtended strand (participates in β ladder)trans-94.4111175.317961000109.5L130 V157 F159 L183 V186 V187 V199 L200 G201 A202L128-L130 HydrophobicContact CG-CD1 4.24Å; L128-V157 CarbonylContact C-O 3.46Å; L128-V157 WeakPolarHBondContact CA-O 3.3Å; L128-V157 HydrophobicContact CD1-CB 4.02Å; L128-V157 HydrophobicContact CD1-CG1 4.21Å; L128-F159 HydrophobicContact CD1-CB 4.1Å; L128-L183 HydrophobicContact CD2-CD1 3.65Å; L128-V186 HydrophobicContact CD1-CG1 3.85Å; L128-V186 HydrophobicContact CD2-CG1 4.21Å; L128-V187 HydrophobicContact CD2-CG2 3.69Å; L128-V199 HydrophobicContact CB-CG1 4.14Å; L128-L200 PolarHBondContact N-O 3.13Å; L128-G201 CarbonylContact O-C 3.5Å; L128-A202 PolarHBondContact O-N 3.11Å
129I98.8Very high95Very high3 Ų330.2 Ų30.22%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-100.8128.3-174.5-58.3170.5000110V127 V142 A145 V146 V157 V158 F159 A202V127-I129 HydrophobicContact CG1-CG1 3.98Å; I129-V142 HydrophobicContact CG2-CG1 4.15Å; I129-V142 HydrophobicContact CG2-CG2 4.44Å; I129-A145 HydrophobicContact CD1-CB 4.07Å; I129-V146 HydrophobicContact CD1-CG2 3.52Å; I129-V157 PolarHBondContact N-O 3.3Å; I129-V158 HydrophobicContact CB-CG2 4.4Å; I129-F159 PolarHBondContact O-N 3.26Å; I129-A202 CarbonylContact C-O 3.05Å; I129-A202 WeakPolarHBondContact CA-O 3.21Å; I129-A202 HydrophobicContact CG1-CB 4.39Å
130L98.4Very high95.1Very high2 Ų226.1 Ų26.11%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-110.2107.2177-68.789000110.1L128 F159 L183 A202 V204 I210L128-L130 HydrophobicContact CG-CD1 4.24Å; L130-F159 HydrophobicContact CD2-CD1 3.99Å; L130-F159 HydrophobicContact CD2-CE1 4.41Å; L130-F159 HydrophobicContact CG-CD1 4.04Å; L130-L183 HydrophobicContact CD1-CD1 4.25Å; L130-L183 HydrophobicContact CD2-CD1 3.98Å; L130-L183 HydrophobicContact CD2-CD2 3.82Å; L130-L183 HydrophobicContact CD2-CG 4.39Å; L130-L183 HydrophobicContact CG-CD1 4.47Å; L130-A202 PolarHBondContact N-O 2.96Å; L130-V204 PolarHBondContact O-N 3.44Å; L130-I210 HydrophobicContact CD2-CB 4.24Å; L130-I210 HydrophobicContact CD2-CG2 3.96Å
131P97.2Very high95.1Very high0 Ų023 Ų230%013%0.131CC..  trans-63.7159.8174.8-20.833.9000113V142 V158 F159 G207P131-V142 HydrophobicContact CB-CG2 4.33Å; P131-V142 HydrophobicContact CG-CG2 4.23Å; P131-V158 HydrophobicContact CG-CG1 3.71Å; P131-F159 WeakPolarHBondContact CD-O 3.27Å; P131-G207 WeakPolarHBondContact O-CA 3.31Å; P131-G207 PolarHBondContact O-N 3.11Å
132G94.1Very high95.2Very high3 Ų321.3 Ų21.33%0.03112%0.12CC..  trans-74.9-172.3174.300000114.2T134 G135 Y141 V204G132-T134 PolarHBondContact O-N 3.31Å; G132-G135 PolarHBondContact O-N 2.74Å; G132-Y141 PolarHBondContact N-OH 2.93Å; G132-V204 WeakPolarHBondContact CA-O 3.43Å; G132-V204 PolarHBondContact N-O 2.88Å
133L90.1Very high95.3Very high46 Ų4620.1 Ų20.124%0.24111%0.106CC..THydrogen-bonded Turntrans-56.1125.4-179.9-17368.6000110.7G135 Y175 L206 L260 I286L133-G135 PolarHBondContact O-N 2.59Å; L133-G135 VanDerWaalsContact O-N 3.11Å; L133-Y175 HydrophobicContact CD1-CE2 4.28Å; L133-L206 HydrophobicContact CB-CB 4.16Å; L133-L206 HydrophobicContact CB-CD2 4.26Å; L133-L206 HydrophobicContact CD1-CD1 4.48Å; L133-L206 HydrophobicContact CD1-CD2 3.8Å; L133-L260 HydrophobicContact CD1-CD2 3.99Å; L133-L260 HydrophobicContact CD2-CD1 4.33Å; L133-L260 HydrophobicContact CG-CD2 4.43Å; L133-I286 HydrophobicContact CD2-CD1 4.42Å
134T83.8Confident95.3Very high36 Ų3617.6 Ų17.622%0.2219%0.09CC..THydrogen-bonded Turntrans633-175.272.20000116.1G132 V164 Y175 L260G132-T134 PolarHBondContact O-N 3.31Å; T134-V164 WeakPolarHBondContact O-CG1 3.37Å; T134-Y175 PolarHBondContact N-OH 3.48Å; T134-L260 HydrophobicContact CG2-CD2 3.83Å; T134-L260 HydrophobicContact CG2-CG 4.18Å
135G88.2Confident95.3Very high2 Ų218 Ų182%0.0219%0.094CC..  trans-78.8160.517900000113.6G132 L133 V164G132-G135 PolarHBondContact O-N 2.74Å; L133-G135 PolarHBondContact O-N 2.59Å; L133-G135 VanDerWaalsContact O-N 3.11Å; G135-V164 VanDerWaalsContact O-CG1 3.24Å; G135-V164 WeakPolarHBondContact O-CG1 3.5Å
136N93.8Very high95.3Very high33 Ų3317.8 Ų17.818%0.1769%0.092CC..  trans-148.8-174.4175.562.519.9000109.8Q138 Q139 N160 V164N136-Q138 PolarHBondContact O-N 2.95Å; N136-Q138 VanDerWaalsContact O-N 3.1Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.37Å; N136-Q138 PolarHBondContact OD1-N 3.2Å; N136-Q139 WeakPolarHBondContact O-CG 3.49Å; N136-Q139 PolarHBondContact O-N 3.15Å; N136-N160 VanDerWaalsContact CA-OD1 3.27Å; N136-N160 WeakPolarHBondContact CA-OD1 3.38Å; N136-N160 WeakPolarHBondContact CB-OD1 3.41Å; N136-V164 HydrophobicContact CB-CG1 4.47Å
137S95.8Very high95.2Very high5 Ų518.5 Ų18.54%0.03510%0.097CC..THydrogen-bonded Turntrans-56.3-22.2178.661.70000115.7Y92 D108 Q139 L143 N160Y92-S137 PolarHBondContact OH-O 3.38Å; D108-S137 WeakPolarHBondContact OD2-CB 3.43Å; D108-S137 PolarHBondContact OD2-OG 3.11Å; S137-Q139 VanDerWaalsContact C-N 3.33Å; S137-L143 WeakPolarHBondContact O-CD2 3.38Å; S137-N160 PolarHBondContact N-OD1 3.12Å
138Q95Very high95.1Very high102 Ų10218.9 Ų18.948%0.47710%0.099SC..THydrogen-bonded Turntrans-87.9-0.8-176.9-57.1-57.5-54.100113.7N136N136-Q138 PolarHBondContact O-N 2.95Å; N136-Q138 VanDerWaalsContact O-N 3.1Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.37Å; N136-Q138 PolarHBondContact OD1-N 3.2Å
139Q94.8Very high95.1Very high69 Ų6919 Ų1932%0.32210%0.099SC..SBendtrans-69.1137.7178.6-64.4-60.6-31.700110.7N136 S137 Y141 V142 L143N136-Q139 WeakPolarHBondContact O-CG 3.49Å; N136-Q139 PolarHBondContact O-N 3.15Å; S137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-Y141 VanDerWaalsContact C-N 3.32Å; Q139-Y141 HydrophobicContact CB-CD1 3.94Å; Q139-Y141 HydrophobicContact CB-CE1 3.51Å; Q139-Y141 HydrophobicContact CG-CE1 4.03Å; Q139-Y141 PolarHBondContact O-N 2.94Å; Q139-V142 HydrophobicContact CB-CB 4.42Å; Q139-V142 HydrophobicContact CB-CG2 4.04Å; Q139-V142 WeakPolarHBondContact O-CA 3.36Å; Q139-V142 WeakPolarHBondContact O-CB 3.48Å; Q139-V142 PolarHBondContact O-N 2.87Å; Q139-L143 PolarHBondContact O-N 3.38Å
140P94.6Very high95Very high12 Ų1220.3 Ų20.38%0.07811%0.108CC..Hα-helixtrans-51.3-46.4-177-28.233.5000113.8K85 R87 V142 L143 H144K85-P140 HydrophobicContact CB-CB 4.07Å; K85-P140 HydrophobicContact CD-CB 4.06Å; K85-P140 HydrophobicContact CG-CB 3.95Å; R87-P140 HydrophobicContact CG-CB 4.39Å; R87-P140 HydrophobicContact CG-CG 4.01Å; P140-V142 VanDerWaalsContact C-N 3.29Å; P140-V142 PolarHBondContact O-N 2.86Å; P140-L143 PolarHBondContact O-N 3.46Å; P140-H144 PolarHBondContact O-CD2 3.38Å; P140-H144 PolarHBondContact O-N 2.94Å
141Y94.8Very high94.8Very high28 Ų2828.8 Ų28.811%0.1114%0.14CC..Hα-helixtrans-63.6-32.8178.967.5-95.5000112.9G132 Q139 A145 V204 I361G132-Y141 PolarHBondContact N-OH 2.93Å; Q139-Y141 VanDerWaalsContact C-N 3.32Å; Q139-Y141 HydrophobicContact CB-CD1 3.94Å; Q139-Y141 HydrophobicContact CB-CE1 3.51Å; Q139-Y141 HydrophobicContact CG-CE1 4.03Å; Q139-Y141 PolarHBondContact O-N 2.94Å; Y141-A145 WeakPolarHBondContact O-CB 3.36Å; Y141-A145 PolarHBondContact O-N 3.28Å; Y141-V204 HydrophobicContact CD2-CB 4.14Å; Y141-V204 HydrophobicContact CD2-CG1 4.04Å; Y141-V204 HydrophobicContact CD2-CG2 3.82Å; Y141-V204 HydrophobicContact CE2-CB 3.72Å; Y141-V204 HydrophobicContact CE2-CG1 3.85Å; Y141-V204 HydrophobicContact CE2-CG2 3.82Å; Y141-I361 HydrophobicContact CD1-CG2 3.83Å; Y141-I361 HydrophobicContact CD2-CG2 4.42Å; Y141-I361 HydrophobicContact CE1-CG2 4.47Å; Y141-I361 HydrophobicContact CG-CG2 3.81Å
142V97.1Very high94.8Very high0 Ų031.1 Ų31.10%015%0.148CC..Hα-helixtrans-70.4-46.8175.7178.50000110.2I129 P131 Q139 P140 H144 A145 V146 V158I129-V142 HydrophobicContact CG2-CG1 4.15Å; I129-V142 HydrophobicContact CG2-CG2 4.44Å; P131-V142 HydrophobicContact CB-CG2 4.33Å; P131-V142 HydrophobicContact CG-CG2 4.23Å; Q139-V142 HydrophobicContact CB-CB 4.42Å; Q139-V142 HydrophobicContact CB-CG2 4.04Å; Q139-V142 WeakPolarHBondContact O-CA 3.36Å; Q139-V142 WeakPolarHBondContact O-CB 3.48Å; Q139-V142 PolarHBondContact O-N 2.87Å; P140-V142 VanDerWaalsContact C-N 3.29Å; P140-V142 PolarHBondContact O-N 2.86Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 3.01Å; V142-A145 PolarHBondContact O-N 3.11Å; V142-V146 HydrophobicContact CG1-CG2 4.34Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 3.42Å; V142-V158 HydrophobicContact CG1-CB 4.49Å; V142-V158 HydrophobicContact CG1-CG1 3.97Å; V142-V158 HydrophobicContact CG1-CG2 3.66Å
143L97.3Very high94.9Very high6 Ų631.1 Ų31.13%0.03115%0.149CC..Hα-helixtrans-59-41.1177.5-65171.8000111.5R87 P88 V90 Y92 S137 Q139 P140 S147R87-L143 HydrophobicContact CB-CD1 3.72Å; R87-L143 HydrophobicContact CG-CD1 3.99Å; P88-L143 HydrophobicContact CG-CB 3.85Å; V90-L143 HydrophobicContact CB-CD2 3.78Å; V90-L143 HydrophobicContact CG2-CB 4.33Å; V90-L143 HydrophobicContact CG2-CD2 3.72Å; Y92-L143 HydrophobicContact CE2-CD2 3.95Å; S137-L143 WeakPolarHBondContact O-CD2 3.38Å; Q139-L143 PolarHBondContact O-N 3.38Å; P140-L143 PolarHBondContact O-N 3.46Å; L143-S147 VanDerWaalsContact O-CB 3.32Å; L143-S147 WeakPolarHBondContact O-CB 3.26Å; L143-S147 PolarHBondContact O-N 3.24Å
144H96.6Very high95.3Very high14 Ų1429 Ų297%0.06514%0.137CC..Hα-helixtrans-67.7-42.1175.2-83.9-76.6000112.6S86 P140 V142 S147 Q148 E376S86-H144 PolarHBondContact O-CD2 3.02Å; S86-H144 PolarHBondContact O-NE2 2.9Å; S86-H144 PolarHBondContact OG-CE1 3.37Å; S86-H144 PolarHBondContact OG-NE2 3.23Å; P140-H144 PolarHBondContact O-CD2 3.38Å; P140-H144 PolarHBondContact O-N 2.94Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 3.01Å; H144-S147 WeakPolarHBondContact O-CB 3.36Å; H144-S147 PolarHBondContact O-N 3.22Å; H144-Q148 WeakPolarHBondContact O-CG 3.4Å; H144-Q148 PolarHBondContact O-N 2.81Å; H144-E376 HydrophobicContact CB-CG 3.6Å
145A97.4Very high96Very high12 Ų1227.2 Ų27.210%0.09913%0.127CC..Hα-helixtrans-61.2-44.4174.200000111.8I129 Y141 V142 S147 Q148 A149 F379I129-A145 HydrophobicContact CD1-CB 4.07Å; Y141-A145 WeakPolarHBondContact O-CB 3.36Å; Y141-A145 PolarHBondContact O-N 3.28Å; V142-A145 PolarHBondContact O-N 3.11Å; A145-S147 PolarHBondContact O-N 2.89Å; A145-Q148 PolarHBondContact O-N 2.94Å; A145-A149 PolarHBondContact O-N 3.34Å; A145-F379 HydrophobicContact CB-CD1 4.25Å; A145-F379 HydrophobicContact CB-CE1 3.92Å; A145-F379 HydrophobicContact CB-CE2 4.27Å; A145-F379 HydrophobicContact CB-CZ 3.91Å; A145-F379 WeakPolarHBondContact O-CE1 3.15Å
146V98.1Very high96.5Very high1 Ų127.1 Ų27.11%0.00613%0.126CC..Hα-helixtrans-60.7-46174.51730000110.8V90 Y92 V110 I129 V142 Q148 A149 T150 C156 V158V90-V146 HydrophobicContact CG1-CG1 3.78Å; V90-V146 HydrophobicContact CG2-CG1 4.29Å; Y92-V146 HydrophobicContact CE1-CG1 4.48Å; Y92-V146 HydrophobicContact CE1-CG2 4.31Å; V110-V146 HydrophobicContact CB-CG1 4.28Å; V110-V146 HydrophobicContact CG2-CG1 3.74Å; I129-V146 HydrophobicContact CD1-CG2 3.52Å; V142-V146 HydrophobicContact CG1-CG2 4.34Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 3.42Å; V146-Q148 VanDerWaalsContact C-N 3.33Å; V146-Q148 PolarHBondContact O-N 2.83Å; V146-A149 PolarHBondContact O-N 3.31Å; V146-T150 HydrophobicContact CG1-CG2 3.97Å; V146-T150 WeakPolarHBondContact O-CB 3.47Å; V146-T150 VanDerWaalsContact O-CG2 3.28Å; V146-T150 WeakPolarHBondContact O-CG2 3.47Å; V146-T150 PolarHBondContact O-N 2.99Å; V146-T150 PolarHBondContact O-OG1 3.12Å; V146-C156 HydrophobicContact CG1-CB 4.14Å; V146-C156 HydrophobicContact CG2-CB 4.15Å; V146-V158 HydrophobicContact CG2-CG2 4.03Å
147S96.9Very high96.7Very high15 Ų1525.6 Ų25.611%0.10512%0.118CC..Hα-helixtrans-58-42.2175.7179.80000112.5L143 H144 A145 T150 R151L143-S147 VanDerWaalsContact O-CB 3.32Å; L143-S147 WeakPolarHBondContact O-CB 3.26Å; L143-S147 PolarHBondContact O-N 3.24Å; H144-S147 WeakPolarHBondContact O-CB 3.36Å; H144-S147 PolarHBondContact O-N 3.22Å; A145-S147 PolarHBondContact O-N 2.89Å; S147-T150 PolarHBondContact O-OG1 3.04Å; S147-R151 WeakPolarHBondContact O-CB 3.36Å; S147-R151 WeakPolarHBondContact O-CD 3.49Å; S147-R151 WeakPolarHBondContact O-CG 3.32Å; S147-R151 PolarHBondContact O-N 3.11Å; S147-R151 VanDerWaalsContact O-N 3.13Å; S147-R151 PolarHBondContact OG-NE 2.97Å
148Q96.7Very high96.8Very high8 Ų825.3 Ų25.34%0.03712%0.116CC..Hα-helixtrans-63.6-42176.6-75.8-62.9-39.200112.4H144 A145 V146 R152 E372 E376 F379H144-Q148 WeakPolarHBondContact O-CG 3.4Å; H144-Q148 PolarHBondContact O-N 2.81Å; A145-Q148 PolarHBondContact O-N 2.94Å; V146-Q148 VanDerWaalsContact C-N 3.33Å; V146-Q148 PolarHBondContact O-N 2.83Å; Q148-R152 PolarHBondContact O-NH1 3.44Å; Q148-E372 PolarHBondContact NE2-OE1 3.06Å; Q148-E372 PolarHBondContact NE2-OE2 3.05Å; Q148-E376 HydrophobicContact CG-CB 4.28Å; Q148-F379 HydrophobicContact CB-CD1 3.86Å; Q148-F379 HydrophobicContact CB-CE1 3.94Å; Q148-F379 HydrophobicContact CG-CD1 4.48Å
149A97.3Very high97Very high1 Ų120.6 Ų20.61%0.0089%0.094CC..Hα-helixtrans-73.9-41.7-179.100000112.3V127 A145 V146 R152 G153 Y154 C156 F379V127-A149 HydrophobicContact CG2-CB 4.03Å; A145-A149 PolarHBondContact O-N 3.34Å; V146-A149 PolarHBondContact O-N 3.31Å; A149-R152 PolarHBondContact O-N 2.91Å; A149-R152 VanDerWaalsContact O-N 3.14Å; A149-G153 PolarHBondContact O-N 3Å; A149-Y154 HydrophobicContact CB-CD2 4.18Å; A149-Y154 WeakPolarHBondContact O-CB 3.39Å; A149-Y154 WeakPolarHBondContact O-CD2 3.4Å; A149-Y154 PolarHBondContact O-N 3.47Å; A149-Y154 VanDerWaalsContact O-N 3.13Å; A149-C156 WeakPolarHBondContact CB-SG 2.75Å; A149-F379 HydrophobicContact CB-CE1 4.26Å; A149-F379 HydrophobicContact CB-CZ 4.43Å
150T96.6Very high97Very high31 Ų3117.3 Ų17.319%0.198%0.078CC..Hα-helixtrans-69.1-36-179.456.50000112.6V110 N112 V146 S147 R152 G153V110-T150 HydrophobicContact CB-CG2 4.18Å; V110-T150 HydrophobicContact CG1-CG2 3.63Å; N112-T150 WeakPolarHBondContact ND2-CA 3.39Å; N112-T150 PolarHBondContact ND2-O 3.02Å; V146-T150 HydrophobicContact CG1-CG2 3.97Å; V146-T150 WeakPolarHBondContact O-CB 3.47Å; V146-T150 VanDerWaalsContact O-CG2 3.28Å; V146-T150 WeakPolarHBondContact O-CG2 3.47Å; V146-T150 PolarHBondContact O-N 2.99Å; V146-T150 PolarHBondContact O-OG1 3.12Å; S147-T150 PolarHBondContact O-OG1 3.04Å; T150-R152 PolarHBondContact O-N 3.28Å; T150-R152 VanDerWaalsContact O-N 3.16Å; T150-G153 PolarHBondContact O-N 3.42Å
151R95.5Very high97Very high180 Ų18017 Ų1768%0.6798%0.076SC*.THydrogen-bonded Turntrans-59.2-22.7172.1-76.1174.2-172.1-166.8-0.7113.6S147S147-R151 WeakPolarHBondContact O-CB 3.36Å; S147-R151 WeakPolarHBondContact O-CD 3.49Å; S147-R151 WeakPolarHBondContact O-CG 3.32Å; S147-R151 PolarHBondContact O-N 3.11Å; S147-R151 VanDerWaalsContact O-N 3.13Å; S147-R151 PolarHBondContact OG-NE 2.97Å
152R96.3Very high97Very high49 Ų4916.1 Ų16.119%0.1857%0.073CC..THydrogen-bonded Turntrans-97.16.9176.3-66.7177.4174.577.6-2.6113.3Q148 A149 T150 Y154 G380Q148-R152 PolarHBondContact O-NH1 3.44Å; A149-R152 PolarHBondContact O-N 2.91Å; A149-R152 VanDerWaalsContact O-N 3.14Å; T150-R152 PolarHBondContact O-N 3.28Å; T150-R152 VanDerWaalsContact O-N 3.16Å; R152-Y154 HydrophobicContact CB-CD2 3.83Å; R152-Y154 HydrophobicContact CB-CE1 4.29Å; R152-Y154 HydrophobicContact CB-CE2 3.34Å; R152-Y154 HydrophobicContact CB-CG 4.46Å; R152-Y154 HydrophobicContact CG-CE2 4.18Å; R152-Y154 WeakPolarHBondContact O-CE1 3.35Å; R152-G380 PolarHBondContact NE-O 3.49Å
153G97.2Very high96.5Very high4 Ų416.3 Ų16.34%0.0417%0.074CC..THydrogen-bonded Turntrans86.25.5177.200000115.4N112 S115 R124 A149 T150N112-G153 VanDerWaalsContact ND2-CA 3.26Å; N112-G153 WeakPolarHBondContact ND2-CA 3.5Å; N112-G153 PolarHBondContact ND2-O 2.9Å; S115-G153 WeakPolarHBondContact OG-CA 3.1Å; S115-G153 PolarHBondContact OG-O 3.38Å; R124-G153 WeakPolarHBondContact CD-O 3.36Å; A149-G153 PolarHBondContact O-N 3Å; T150-G153 PolarHBondContact O-N 3.42Å
154Y98.2Very high95.8Very high0 Ų016.2 Ų16.20%07%0.074CC..  trans-82.4155.2-177.1-47.6-40.7000112.5N112 Y118 P125 V127 A149 R152 V383 Q384 F387N112-Y154 VanDerWaalsContact CB-O 3.3Å; N112-Y154 WeakPolarHBondContact CB-O 3.37Å; N112-Y154 PolarHBondContact ND2-N 3.45Å; N112-Y154 PolarHBondContact ND2-O 3.44Å; Y118-Y154 HydrophobicContact CD2-CD1 4.18Å; Y118-Y154 HydrophobicContact CD2-CE1 4.27Å; Y118-Y154 AromaticContact CE2-CD1 3.78Å; Y118-Y154 HydrophobicContact CE2-CD1 3.78Å; Y118-Y154 AromaticContact CE2-CE1 3.43Å; Y118-Y154 HydrophobicContact CE2-CE1 3.43Å; Y118-Y154 VanDerWaalsContact CE2-CE1 3.43Å; Y118-Y154 AromaticContact CZ-CE1 3.87Å; P125-Y154 HydrophobicContact CB-CD1 3.8Å; P125-Y154 HydrophobicContact CB-CE1 4.34Å; P125-Y154 HydrophobicContact CB-CG 4.45Å; P125-Y154 HydrophobicContact CG-CD1 4.05Å; P125-Y154 HydrophobicContact CG-CE1 4.32Å; V127-Y154 HydrophobicContact CG2-CD2 4.44Å; A149-Y154 HydrophobicContact CB-CD2 4.18Å; A149-Y154 WeakPolarHBondContact O-CB 3.39Å; A149-Y154 WeakPolarHBondContact O-CD2 3.4Å; A149-Y154 PolarHBondContact O-N 3.47Å; A149-Y154 VanDerWaalsContact O-N 3.13Å; R152-Y154 HydrophobicContact CB-CD2 3.83Å; R152-Y154 HydrophobicContact CB-CE1 4.29Å; R152-Y154 HydrophobicContact CB-CE2 3.34Å; R152-Y154 HydrophobicContact CB-CG 4.46Å; R152-Y154 HydrophobicContact CG-CE2 4.18Å; R152-Y154 WeakPolarHBondContact O-CE1 3.35Å; Y154-V383 HydrophobicContact CD2-CG1 3.7Å; Y154-V383 HydrophobicContact CE2-CG1 3.6Å; Y154-Q384 WeakPolarHBondContact OH-CA 3.28Å; Y154-F387 AromaticContact CD1-CD2 3.95Å; Y154-F387 HydrophobicContact CD1-CD2 3.95Å; Y154-F387 HydrophobicContact CD1-CE2 4.36Å; Y154-F387 HydrophobicContact CD2-CD2 4.1Å; Y154-F387 HydrophobicContact CD2-CE2 4.2Å; Y154-F387 HydrophobicContact CE1-CB 4.33Å; Y154-F387 AromaticContact CE1-CD2 3.78Å; Y154-F387 HydrophobicContact CE1-CD2 3.78Å; Y154-F387 AromaticContact CE2-CD2 3.95Å; Y154-F387 HydrophobicContact CE2-CD2 3.95Å; Y154-F387 HydrophobicContact CE2-CE2 4.45Å; Y154-F387 HydrophobicContact CG-CD2 4.13Å; Y154-F387 HydrophobicContact CG-CE2 4.18Å; Y154-F387 AromaticContact CZ-CD2 3.82Å
155R98.3Very high94.7Very high0 Ų016.9 Ų16.90%09%0.085CC..EExtended strand (participates in β ladder)trans-78.5141.9165.2176.9179.5-57.2117.1-2.1109.1W109 S121 R124 P125 T126 V127 Y194W109-R155 HydrophobicContact CE3-CG 4.46Å; S121-R155 PolarHBondContact O-NH2 3.43Å; S121-R155 PolarHBondContact OG-NH2 3.18Å; R124-R155 HydrophobicContact CG-CB 4.29Å; R124-R155 PolarHBondContact O-NH1 3.45Å; P125-R155 PolarHBondContact O-N 2.97Å; T126-R155 CarbonylContact C-O 3.59Å; T126-R155 WeakPolarHBondContact CA-O 3.42Å; T126-R155 HydrophobicContact CG2-CB 4.37Å; T126-R155 HydrophobicContact CG2-CG 4.13Å; T126-R155 PolarHBondContact OG1-NH1 3.48Å; T126-R155 VanDerWaalsContact OG1-NH1 3.15Å; V127-R155 PolarHBondContact N-O 3.26Å; R155-Y194 VanDerWaalsContact CZ-CE2 3.43Å; R155-Y194 VanDerWaalsContact NH1-CD2 3.31Å; R155-Y194 VanDerWaalsContact NH1-CG 3.27Å; R155-Y194 VanDerWaalsContact NH2-CZ 3.34Å
156C98.4Very high93.8Very high0 Ų018.5 Ų18.50%010%0.102CC..EExtended strand (participates in β ladder)trans-120.2142.9172.6-63.30000111.4W109 V110 V127 V146 A149W109-C156 WeakPolarHBondContact CA-O 3.11Å; V110-C156 HydrophobicContact CB-CB 4.3Å; V110-C156 PolarHBondContact N-O 3Å; V110-C156 PolarHBondContact O-N 2.8Å; V127-C156 WeakPolarHBondContact O-CA 3.45Å; V146-C156 HydrophobicContact CG1-CB 4.14Å; V146-C156 HydrophobicContact CG2-CB 4.15Å; A149-C156 WeakPolarHBondContact CB-SG 2.75Å
157V98.5Very high93.2Very high0 Ų019.4 Ų19.40%011%0.106CC..EExtended strand (participates in β ladder)trans-131.5122.3170.8-166.40000107.7L107 W109 T126 V127 L128 I129 V190L107-V157 HydrophobicContact CB-CG1 4.14Å; L107-V157 HydrophobicContact CD1-CG1 4.3Å; L107-V157 HydrophobicContact CD2-CG1 4.25Å; L107-V157 HydrophobicContact CG-CG1 4.47Å; W109-V157 HydrophobicContact CD2-CB 4.48Å; W109-V157 HydrophobicContact CD2-CG1 3.98Å; W109-V157 HydrophobicContact CD2-CG2 3.9Å; W109-V157 HydrophobicContact CE3-CB 4.34Å; W109-V157 HydrophobicContact CE3-CG1 4.27Å; W109-V157 HydrophobicContact CE3-CG2 3.32Å; W109-V157 HydrophobicContact CH2-CG1 4.23Å; W109-V157 HydrophobicContact CH2-CG2 3.72Å; W109-V157 HydrophobicContact CZ2-CG1 3.96Å; W109-V157 HydrophobicContact CZ2-CG2 4.26Å; W109-V157 HydrophobicContact CZ3-CB 4.41Å; W109-V157 HydrophobicContact CZ3-CG1 4.38Å; W109-V157 HydrophobicContact CZ3-CG2 3.21Å; T126-V157 HydrophobicContact CG2-CG2 3.77Å; V127-V157 PolarHBondContact O-N 2.88Å; L128-V157 CarbonylContact C-O 3.46Å; L128-V157 WeakPolarHBondContact CA-O 3.3Å; L128-V157 HydrophobicContact CD1-CB 4.02Å; L128-V157 HydrophobicContact CD1-CG1 4.21Å; I129-V157 PolarHBondContact N-O 3.3Å; V157-V190 HydrophobicContact CG2-CG2 4.47Å
158V98.5Very high92.7Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-96.6119.5171.2-172.70000108.6Y92 L107 D108 I129 P131 V142 V146 N160Y92-V158 HydrophobicContact CE1-CG2 4.06Å; L107-V158 WeakPolarHBondContact CA-O 3.5Å; D108-V158 HydrophobicContact CB-CB 4.25Å; D108-V158 PolarHBondContact N-O 3.44Å; D108-V158 PolarHBondContact O-N 3.4Å; I129-V158 HydrophobicContact CB-CG2 4.4Å; P131-V158 HydrophobicContact CG-CG1 3.71Å; V142-V158 HydrophobicContact CG1-CB 4.49Å; V142-V158 HydrophobicContact CG1-CG1 3.97Å; V142-V158 HydrophobicContact CG1-CG2 3.66Å; V146-V158 HydrophobicContact CG2-CG2 4.03Å; V158-N160 PolarHBondContact O-N 3.22Å
159F97.3Very high92.6Very high2 Ų224.7 Ų24.71%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-83.7100.3173.8167.8-138.8000109.5I105 L107 L128 I129 L130 P131 D182 L183 V186I105-F159 HydrophobicContact CD1-CE2 4.38Å; I105-F159 HydrophobicContact CG1-CE2 4.46Å; I105-F159 HydrophobicContact CG2-CD2 3.62Å; I105-F159 HydrophobicContact CG2-CE2 3.47Å; I105-F159 VanDerWaalsContact CG2-CE2 3.47Å; L107-F159 HydrophobicContact CD2-CB 4.27Å; L107-F159 HydrophobicContact CD2-CD2 4.17Å; L128-F159 HydrophobicContact CD1-CB 4.1Å; I129-F159 PolarHBondContact O-N 3.26Å; L130-F159 HydrophobicContact CD2-CD1 3.99Å; L130-F159 HydrophobicContact CD2-CE1 4.41Å; L130-F159 HydrophobicContact CG-CD1 4.04Å; P131-F159 WeakPolarHBondContact CD-O 3.27Å; F159-D182 HydrophobicContact CE1-CB 4.5Å; F159-D182 HydrophobicContact CE2-CB 4.15Å; F159-D182 HydrophobicContact CZ-CB 3.57Å; F159-L183 HydrophobicContact CD1-CD1 4.39Å; F159-L183 HydrophobicContact CE1-CB 4.26Å; F159-V186 HydrophobicContact CD2-CG2 3.77Å; F159-V186 HydrophobicContact CE2-CG2 4Å; F159-V186 HydrophobicContact CG-CG2 4.32Å
160N96.5Very high92.4Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-81.4121.5173.8-59.9-69.2000109.5S106 D108 N136 S137 V158S106-N160 WeakPolarHBondContact O-CB 3.47Å; S106-N160 PolarHBondContact O-N 3.16Å; S106-N160 PolarHBondContact O-ND2 3.33Å; D108-N160 PolarHBondContact OD2-ND2 3.47Å; N136-N160 VanDerWaalsContact CA-OD1 3.27Å; N136-N160 WeakPolarHBondContact CA-OD1 3.38Å; N136-N160 WeakPolarHBondContact CB-OD1 3.41Å; S137-N160 PolarHBondContact N-OD1 3.12Å; V158-N160 PolarHBondContact O-N 3.22Å
161N94.4Very high92.3Very high5 Ų527.8 Ų27.83%0.02715%0.145CC..PPolyproline II helixtrans-57.8143.7174.9-70-57.7000111.1G163 V164 Y175N161-G163 PolarHBondContact O-N 3.48Å; N161-V164 HydrophobicContact CB-CG2 4.15Å; N161-V164 WeakPolarHBondContact O-CB 3.03Å; N161-V164 PolarHBondContact O-N 3.38Å; N161-Y175 HydrophobicContact CB-CD1 3.49Å; N161-Y175 VanDerWaalsContact CB-CD1 3.49Å; N161-Y175 HydrophobicContact CB-CD2 3.83Å; N161-Y175 HydrophobicContact CB-CE1 3.94Å; N161-Y175 HydrophobicContact CB-CE2 4.25Å; N161-Y175 HydrophobicContact CB-CG 3.43Å; N161-Y175 VanDerWaalsContact CB-CG 3.43Å
162R93.3Very high92.1Very high11 Ų1121.1 Ų21.14%0.04213%0.125CC..THydrogen-bonded Turntrans-53.6129.2-175.8-56.3-172.3-169.2-164.14.8112.1T99 D101 I105 V164 L169 T171 D182T99-R162 VanDerWaalsContact CB-NH2 3.3Å; T99-R162 VanDerWaalsContact CG2-NH2 3.3Å; T99-R162 PolarHBondContact OG1-NH1 3.24Å; T99-R162 PolarHBondContact OG1-NH2 2.84Å; D101-R162 VanDerWaalsContact CG-NH1 3.33Å; D101-R162 IonicContact OD1-CZ 3.01Å; D101-R162 IonicContact OD1-NH1 2.8Å; D101-R162 PolarHBondContact OD1-NH1 2.82Å; D101-R162 IonicContact OD1-NH2 3.5Å; D101-R162 PolarHBondContact OD1-NH2 2.96Å; D101-R162 IonicContact OD2-CZ 2.9Å; D101-R162 IonicContact OD2-NH1 3.6Å; D101-R162 PolarHBondContact OD2-NH1 3.37Å; D101-R162 IonicContact OD2-NH2 3.97Å; I105-R162 HydrophobicContact CG1-CG 3.93Å; R162-V164 VanDerWaalsContact C-N 3.3Å; R162-L169 HydrophobicContact CB-CD2 3.74Å; R162-T171 PolarHBondContact NH1-OG1 3.37Å; R162-D182 WeakPolarHBondContact CD-OD2 3.29Å; R162-D182 WeakPolarHBondContact CG-OD2 3.33Å; R162-D182 IonicContact CZ-OD1 3.86Å; R162-D182 VanDerWaalsContact CZ-OD1 3.27Å; R162-D182 IonicContact CZ-OD2 3.2Å; R162-D182 VanDerWaalsContact NE-CG 3.3Å; R162-D182 IonicContact NE-OD1 3.39Å; R162-D182 PolarHBondContact NE-OD1 3.18Å; R162-D182 VanDerWaalsContact NE-OD1 3.13Å; R162-D182 IonicContact NE-OD2 3.77Å; R162-D182 PolarHBondContact NE-OD2 2.97Å; R162-D182 IonicContact NH2-OD1 3.55Å; R162-D182 PolarHBondContact NH2-OD1 3.35Å; R162-D182 IonicContact NH2-OD2 2.65Å
163G86.5Confident91.9Very high3 Ų321 Ų213%0.03113%0.129CC..THydrogen-bonded Turntrans81.95.5177.400000114.1N161 E167 H267N161-G163 PolarHBondContact O-N 3.48Å; G163-E167 WeakPolarHBondContact CA-OE1 3.33Å; G163-E167 PolarHBondContact N-OE1 3.16Å; G163-H267 WeakPolarHBondContact CA-NE2 3.4Å; G163-H267 PolarHBondContact O-NE2 3.41Å
164V84.4Confident91.6Very high4 Ų421.3 Ų21.32%0.02413%0.131CC..THydrogen-bonded Turntrans-108.4-31.1-179.7-170.50000112.5T134 G135 N136 N161 R162 G166 E167 Y175T134-V164 WeakPolarHBondContact O-CG1 3.37Å; G135-V164 VanDerWaalsContact O-CG1 3.24Å; G135-V164 WeakPolarHBondContact O-CG1 3.5Å; N136-V164 HydrophobicContact CB-CG1 4.47Å; N161-V164 HydrophobicContact CB-CG2 4.15Å; N161-V164 WeakPolarHBondContact O-CB 3.03Å; N161-V164 PolarHBondContact O-N 3.38Å; R162-V164 VanDerWaalsContact C-N 3.3Å; V164-G166 PolarHBondContact O-N 3.05Å; V164-E167 PolarHBondContact N-OE1 3.11Å; V164-Y175 HydrophobicContact CG2-CD1 4.12Å; V164-Y175 HydrophobicContact CG2-CE1 3.28Å
165G72.3Confident91.5Very high29 Ų2922.8 Ų22.830%0.29914%0.137SC..SBendtrans-75.4-2.2-174.900000115.4E167G165-E167 WeakPolarHBondContact CA-OE2 3.27Å; G165-E167 PolarHBondContact N-OE1 2.99Å; G165-E167 PolarHBondContact N-OE2 3.05Å
166G78.8Confident91.3Very high45 Ų4523 Ų2346%0.46414%0.138SC..SBendtrans107.9-18.5-178.400000112.9V164 R266V164-G166 PolarHBondContact O-N 3.05Å; G166-R266 PolarHBondContact O-NH2 3.07Å
167E85.1Confident91.2Very high20 Ų2023 Ų239%0.09314%0.138CC..PPolyproline II helixtrans-64151.2169.972-66.9157.700112.3L96 Q104 S106 G163 V164 G165 H267L96-E167 HydrophobicContact CD2-CB 4.45Å; Q104-E167 HydrophobicContact CG-CG 4.47Å; S106-E167 WeakPolarHBondContact CB-OE2 3.33Å; G163-E167 WeakPolarHBondContact CA-OE1 3.33Å; G163-E167 PolarHBondContact N-OE1 3.16Å; V164-E167 PolarHBondContact N-OE1 3.11Å; G165-E167 WeakPolarHBondContact CA-OE2 3.27Å; G165-E167 PolarHBondContact N-OE1 2.99Å; G165-E167 PolarHBondContact N-OE2 3.05Å; E167-H267 PolarHBondContact O-CE1 2.85Å
168E87.1Confident91.1Very high130 Ų13023.1 Ų23.161%0.60714%0.139SC*.PPolyproline II helixtrans-75.7143.9165.7-68.2-166.2155.400109.9Q104Q104-E168 PolarHBondContact NE2-O 2.93Å
169L93.4Very high91Very high5 Ų524.8 Ų24.83%0.02615%0.148CC..PPolyproline II helixtrans-60.9149.8164.6-71177.9000108.9R162 T174 H267 I270 L271R162-L169 HydrophobicContact CB-CD2 3.74Å; L169-T174 HydrophobicContact CD1-CG2 3.72Å; L169-H267 HydrophobicContact CB-CB 4.35Å; L169-H267 HydrophobicContact CD1-CB 3.72Å; L169-H267 HydrophobicContact CG-CB 4.2Å; L169-H267 PolarHBondContact N-CE1 3.31Å; L169-H267 PolarHBondContact N-ND1 3.45Å; L169-I270 VanDerWaalsContact C-CD1 3.41Å; L169-I270 HydrophobicContact CB-CD1 4.1Å; L169-I270 WeakPolarHBondContact O-CD1 3.49Å; L169-L271 HydrophobicContact CD1-CD1 4.38Å; L169-L271 HydrophobicContact CD1-CD2 4.1Å; L169-L271 HydrophobicContact CD1-CG 4.34Å
170L93.8Very high91Very high80 Ų8024.8 Ų24.842%0.41915%0.148SC..SBendtrans-117.2-22.9171.1-59.6178.5000111.6Q104Q104-L170 HydrophobicContact CB-CD1 4.2Å; Q104-L170 VanDerWaalsContact CD-CD1 3.47Å; Q104-L170 HydrophobicContact CG-CD1 3.84Å; Q104-L170 HydrophobicContact CG-CG 4.13Å
171T94.1Very high90.9Very high16 Ų1627.6 Ų27.610%0.09817%0.167CC..SBendtrans-122.5161.5172.863.80000108.7D101 G103 R162 V173D101-T171 WeakPolarHBondContact O-CG2 3.33Å; D101-T171 WeakPolarHBondContact OD2-CB 3.45Å; D101-T171 PolarHBondContact OD2-OG1 2.86Å; G103-T171 VanDerWaalsContact N-CG2 3.35Å; R162-T171 PolarHBondContact NH1-OG1 3.37Å; T171-V173 PolarHBondContact O-N 3Å; T171-V173 VanDerWaalsContact O-N 3.16Å
172P92.1Very high91.1Very high40 Ų4027.7 Ų27.726%0.2617%0.168SC..SBendtrans-69.2-5.1175.9-11.626.5000113.6T174 I270 V274P172-T174 PolarHBondContact O-N 3.06Å; P172-I270 HydrophobicContact CB-CG2 4.5Å; P172-I270 HydrophobicContact CG-CG2 4.35Å; P172-V274 HydrophobicContact CB-CB 4.31Å; P172-V274 HydrophobicContact CB-CG1 3.66Å; P172-V274 HydrophobicContact CB-CG2 3.63Å; P172-V274 HydrophobicContact CG-CG1 3.7Å
173V90.9Very high91.3Very high46 Ų4627.2 Ų27.228%0.27917%0.166SC..  trans-73.1125.5-179.9178.60000109.9D101 T171D101-V173 WeakPolarHBondContact OD2-CG2 3.44Å; T171-V173 PolarHBondContact O-N 3Å; T171-V173 VanDerWaalsContact O-N 3.16Å
174T92.6Very high91.9Very high11 Ų1129.3 Ų29.37%0.06718%0.175CC..  trans-116-138.3176.9630000110L169 P172 L271 F293L169-T174 HydrophobicContact CD1-CG2 3.72Å; P172-T174 PolarHBondContact O-N 3.06Å; T174-L271 HydrophobicContact CG2-CD2 4.1Å; T174-F293 HydrophobicContact CG2-CE1 4.31Å; T174-F293 HydrophobicContact CG2-CZ 4.1Å
175Y94.3Very high92.5Very high32 Ų3231.4 Ų31.413%0.12519%0.185CC..  trans-136.5152.5179.268.4-79000111L133 T134 N161 V164 L206L133-Y175 HydrophobicContact CD1-CE2 4.28Å; T134-Y175 PolarHBondContact N-OH 3.48Å; N161-Y175 HydrophobicContact CB-CD1 3.49Å; N161-Y175 VanDerWaalsContact CB-CD1 3.49Å; N161-Y175 HydrophobicContact CB-CD2 3.83Å; N161-Y175 HydrophobicContact CB-CE1 3.94Å; N161-Y175 HydrophobicContact CB-CE2 4.25Å; N161-Y175 HydrophobicContact CB-CG 3.43Å; N161-Y175 VanDerWaalsContact CB-CG 3.43Å; V164-Y175 HydrophobicContact CG2-CD1 4.12Å; V164-Y175 HydrophobicContact CG2-CE1 3.28Å; Y175-L206 HydrophobicContact CD2-CD2 3.71Å; Y175-L206 HydrophobicContact CE2-CD2 3.48Å; Y175-L206 VanDerWaalsContact CE2-CD2 3.48Å
176C95.4Very high93.7Very high4 Ų430 Ų303%0.02717%0.17CC..  trans-152.2167.6172.173.40000109.8A178 N179 T294 F298 Y306C176-A178 PolarHBondContact O-N 3.29Å; C176-N179 PolarHBondContact O-N 3.32Å; C176-N179 VanDerWaalsContact SG-CB 3.58Å; C176-N179 PolarHBondContact SG-N 2.79Å; C176-N179 VanDerWaalsContact SG-N 3.41Å; C176-T294 HydrophobicContact CB-CG2 3.62Å; C176-F298 HydrophobicContact CB-CD2 3.89Å; C176-F298 HydrophobicContact CB-CE2 3.6Å; C176-F298 HydrophobicContact CB-CG 4.49Å; C176-F298 HydrophobicContact CB-CZ 3.99Å; C176-Y306 HydrophobicContact CB-CE2 3.84Å
177A96Very high94.7Very high1 Ų128 Ų281%0.00815%0.149CC..SBendtrans-62.1-25.6-176.300000114.3L206 M209 N213 Y306 A310A177-L206 HydrophobicContact CB-CD1 3.67Å; A177-M209 HydrophobicContact CB-CB 4.17Å; A177-M209 HydrophobicContact CB-CE 3.8Å; A177-M209 HydrophobicContact CB-SD 4.06Å; A177-N213 PolarHBondContact O-ND2 3.37Å; A177-Y306 PolarHBondContact N-OH 2.83Å; A177-A310 HydrophobicContact CB-CB 3.63Å
178A96.6Very high95.3Very high1 Ų132.3 Ų32.31%0.00817%0.169CC..SBendtrans-94.3-24.8-174.700000113.7C176 T180 R217 Y300 Y306 D309 A310C176-A178 PolarHBondContact O-N 3.29Å; A178-T180 PolarHBondContact O-N 3.27Å; A178-R217 PolarHBondContact O-NH1 3.32Å; A178-Y300 WeakPolarHBondContact CB-OH 3.43Å; A178-Y306 HydrophobicContact CB-CD2 4.37Å; A178-Y306 HydrophobicContact CB-CE2 4.15Å; A178-D309 HydrophobicContact CB-CB 4.3Å; A178-A310 HydrophobicContact CB-CB 4.36Å
179N95.4Very high95.8Very high36 Ų3628.6 Ų28.619%0.19315%0.152CC..  trans-80.7120.5-179-176.422.8000110.7C176 S181 F298C176-N179 PolarHBondContact O-N 3.32Å; C176-N179 VanDerWaalsContact SG-CB 3.58Å; C176-N179 PolarHBondContact SG-N 2.79Å; C176-N179 VanDerWaalsContact SG-N 3.41Å; N179-S181 VanDerWaalsContact CG-OG 3.3Å; N179-S181 PolarHBondContact ND2-OG 2.77Å; N179-S181 VanDerWaalsContact ND2-OG 3.15Å; N179-S181 WeakPolarHBondContact OD1-CB 3.05Å; N179-S181 PolarHBondContact OD1-N 2.87Å; N179-S181 VanDerWaalsContact OD1-N 3.14Å; N179-S181 PolarHBondContact OD1-OG 2.91Å; N179-F298 HydrophobicContact CB-CD1 4.18Å; N179-F298 HydrophobicContact CB-CE1 3.8Å
180T97.3Very high96.1Very high2 Ų228.4 Ų28.41%0.01215%0.151CC..  trans-114.72.5-179.471.80000112.9A178 D182 L183 E184 N213 R217A178-T180 PolarHBondContact O-N 3.27Å; T180-D182 VanDerWaalsContact C-N 3.34Å; T180-D182 PolarHBondContact O-N 2.87Å; T180-L183 PolarHBondContact O-N 3.03Å; T180-E184 WeakPolarHBondContact O-CB 3.14Å; T180-E184 PolarHBondContact O-N 3.37Å; T180-N213 HydrophobicContact CG2-CB 3.86Å; T180-R217 PolarHBondContact OG1-NH1 2.85Å
181S96.3Very high96.3Very high58 Ų5827.3 Ų27.341%0.40614%0.143SC..Hα-helixtrans-61.1-42-175.351.10000112.2N179 E184 H185N179-S181 VanDerWaalsContact CG-OG 3.3Å; N179-S181 PolarHBondContact ND2-OG 2.77Å; N179-S181 VanDerWaalsContact ND2-OG 3.15Å; N179-S181 WeakPolarHBondContact OD1-CB 3.05Å; N179-S181 PolarHBondContact OD1-N 2.87Å; N179-S181 VanDerWaalsContact OD1-N 3.14Å; N179-S181 PolarHBondContact OD1-OG 2.91Å; S181-E184 WeakPolarHBondContact O-CB 3.37Å; S181-E184 PolarHBondContact O-N 3.37Å; S181-H185 PolarHBondContact O-N 3.08Å
182D96.9Very high96.5Very high7 Ų729.4 Ų29.44%0.03717%0.167CC..Hα-helixtrans-65.5-43.3176.4-75.2-2.5000112.2I105 F159 R162 T180 E184 H185 V186I105-D182 HydrophobicContact CD1-CB 3.71Å; F159-D182 HydrophobicContact CE1-CB 4.5Å; F159-D182 HydrophobicContact CE2-CB 4.15Å; F159-D182 HydrophobicContact CZ-CB 3.57Å; R162-D182 WeakPolarHBondContact CD-OD2 3.29Å; R162-D182 WeakPolarHBondContact CG-OD2 3.33Å; R162-D182 IonicContact CZ-OD1 3.86Å; R162-D182 VanDerWaalsContact CZ-OD1 3.27Å; R162-D182 IonicContact CZ-OD2 3.2Å; R162-D182 VanDerWaalsContact NE-CG 3.3Å; R162-D182 IonicContact NE-OD1 3.39Å; R162-D182 PolarHBondContact NE-OD1 3.18Å; R162-D182 VanDerWaalsContact NE-OD1 3.13Å; R162-D182 IonicContact NE-OD2 3.77Å; R162-D182 PolarHBondContact NE-OD2 2.97Å; R162-D182 IonicContact NH2-OD1 3.55Å; R162-D182 PolarHBondContact NH2-OD1 3.35Å; R162-D182 IonicContact NH2-OD2 2.65Å; T180-D182 VanDerWaalsContact C-N 3.34Å; T180-D182 PolarHBondContact O-N 2.87Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 PolarHBondContact O-N 2.8Å; D182-H185 PolarHBondContact O-N 3.37Å; D182-V186 VanDerWaalsContact O-CG2 3.27Å; D182-V186 WeakPolarHBondContact O-CG2 3.45Å; D182-V186 PolarHBondContact O-N 3.46Å
183L98.2Very high96.7Very high1 Ų131.2 Ų31.21%0.00518%0.175CC..Hα-helixtrans-61.7-42.2175.7175.857.8000111L128 L130 F159 T180 H185 V186 V187 I210 L211 Y214L128-L183 HydrophobicContact CD2-CD1 3.65Å; L130-L183 HydrophobicContact CD1-CD1 4.25Å; L130-L183 HydrophobicContact CD2-CD1 3.98Å; L130-L183 HydrophobicContact CD2-CD2 3.82Å; L130-L183 HydrophobicContact CD2-CG 4.39Å; L130-L183 HydrophobicContact CG-CD1 4.47Å; F159-L183 HydrophobicContact CD1-CD1 4.39Å; F159-L183 HydrophobicContact CE1-CB 4.26Å; T180-L183 PolarHBondContact O-N 3.03Å; L183-H185 PolarHBondContact O-N 2.75Å; L183-V186 PolarHBondContact O-N 3.01Å; L183-V187 HydrophobicContact CD1-CG2 3.92Å; L183-V187 HydrophobicContact CG-CG2 4.35Å; L183-V187 VanDerWaalsContact O-CG2 3.31Å; L183-V187 WeakPolarHBondContact O-CG2 3.34Å; L183-V187 PolarHBondContact O-N 3.28Å; L183-I210 HydrophobicContact CB-CG2 4.24Å; L183-I210 HydrophobicContact CD2-CG2 4.01Å; L183-L211 HydrophobicContact CD2-CD1 4.39Å; L183-Y214 VanDerWaalsContact CD2-CB 3.45Å; L183-Y214 HydrophobicContact CD2-CD1 3.74Å; L183-Y214 HydrophobicContact CD2-CD2 4.16Å; L183-Y214 HydrophobicContact CD2-CG 3.5Å; L183-Y214 HydrophobicContact CG-CD1 4.19Å; L183-Y214 HydrophobicContact CG-CD2 4.18Å; L183-Y214 HydrophobicContact CG-CG 3.97Å
184E98Very high97Very high48 Ų4830.8 Ų30.822%0.22417%0.168CC..Hα-helixtrans-58.1-48.2175.4179.3175.7171.800111.8T180 S181 D182 V186 V187 Q188 Y214 K218T180-E184 WeakPolarHBondContact O-CB 3.14Å; T180-E184 PolarHBondContact O-N 3.37Å; S181-E184 WeakPolarHBondContact O-CB 3.37Å; S181-E184 PolarHBondContact O-N 3.37Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 PolarHBondContact O-N 2.8Å; E184-V186 VanDerWaalsContact C-N 3.32Å; E184-V186 PolarHBondContact O-N 3.06Å; E184-V187 PolarHBondContact O-N 2.57Å; E184-Q188 WeakPolarHBondContact O-CG 3.21Å; E184-Q188 PolarHBondContact O-N 3.4Å; E184-Q188 PolarHBondContact OE1-NE2 2.87Å; E184-Y214 HydrophobicContact CB-CD2 4.35Å; E184-Y214 HydrophobicContact CB-CE2 3.74Å; E184-Y214 HydrophobicContact CG-CE2 4.26Å; E184-K218 WeakPolarHBondContact OE1-CE 3.34Å; E184-K218 IonicContact OE1-NZ 3.83Å; E184-K218 PolarHBondContact OE1-NZ 2.87Å; E184-K218 WeakPolarHBondContact OE2-CE 3.28Å; E184-K218 IonicContact OE2-NZ 3.53Å; E184-K218 PolarHBondContact OE2-NZ 3.39Å
185H98Very high97.3Very high47 Ų4734 Ų3422%0.21819%0.189CC..Hα-helixtrans-60.8-42178-174.971.1000111.8R98 S181 D182 L183 Q188 H189R98-H185 PolarHBondContact O-NE2 3.14Å; R98-H185 VanDerWaalsContact O-NE2 3.1Å; S181-H185 PolarHBondContact O-N 3.08Å; D182-H185 PolarHBondContact O-N 3.37Å; L183-H185 PolarHBondContact O-N 2.75Å; H185-Q188 PolarHBondContact O-N 2.93Å; H185-H189 WeakPolarHBondContact O-CB 3.5Å; H185-H189 PolarHBondContact O-N 3.23Å
186V98.4Very high97.4Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-64.7-44176.41710000111.7I97 I105 L107 L128 F159 D182 L183 E184 Q188 H189 V190I97-V186 HydrophobicContact CD1-CG2 3.88Å; I105-V186 HydrophobicContact CD1-CG2 4.17Å; I105-V186 HydrophobicContact CG2-CG2 3.94Å; L107-V186 HydrophobicContact CD1-CG1 4.28Å; L107-V186 HydrophobicContact CD2-CG1 3.84Å; L107-V186 HydrophobicContact CD2-CG2 3.93Å; L128-V186 HydrophobicContact CD1-CG1 3.85Å; L128-V186 HydrophobicContact CD2-CG1 4.21Å; F159-V186 HydrophobicContact CD2-CG2 3.77Å; F159-V186 HydrophobicContact CE2-CG2 4Å; F159-V186 HydrophobicContact CG-CG2 4.32Å; D182-V186 VanDerWaalsContact O-CG2 3.27Å; D182-V186 WeakPolarHBondContact O-CG2 3.45Å; D182-V186 PolarHBondContact O-N 3.46Å; L183-V186 PolarHBondContact O-N 3.01Å; E184-V186 VanDerWaalsContact C-N 3.32Å; E184-V186 PolarHBondContact O-N 3.06Å; V186-Q188 VanDerWaalsContact C-N 3.35Å; V186-Q188 PolarHBondContact O-N 2.87Å; V186-H189 WeakPolarHBondContact O-CB 3.44Å; V186-H189 PolarHBondContact O-N 2.94Å; V186-V190 HydrophobicContact CG1-CG2 4.33Å; V186-V190 VanDerWaalsContact O-CG2 3.28Å; V186-V190 WeakPolarHBondContact O-CG2 3.41Å; V186-V190 PolarHBondContact O-N 3.33Å
187V98.6Very high97.5Very high4 Ų439.4 Ų39.42%0.02422%0.215CC..Hα-helixtrans-63.2-43.7177.9172.90000110.7L128 L183 E184 H189 V190 K191 Y214 S222 I224L128-V187 HydrophobicContact CD2-CG2 3.69Å; L183-V187 HydrophobicContact CD1-CG2 3.92Å; L183-V187 HydrophobicContact CG-CG2 4.35Å; L183-V187 VanDerWaalsContact O-CG2 3.31Å; L183-V187 WeakPolarHBondContact O-CG2 3.34Å; L183-V187 PolarHBondContact O-N 3.28Å; E184-V187 PolarHBondContact O-N 2.57Å; V187-H189 VanDerWaalsContact C-N 3.33Å; V187-H189 PolarHBondContact O-N 3.16Å; V187-V190 PolarHBondContact O-N 3.23Å; V187-K191 HydrophobicContact CG1-CG 4.32Å; V187-K191 WeakPolarHBondContact O-CB 3.37Å; V187-K191 WeakPolarHBondContact O-CG 3.38Å; V187-K191 PolarHBondContact O-N 3.01Å; V187-Y214 HydrophobicContact CG2-CE1 4.15Å; V187-S222 WeakPolarHBondContact CG1-O 3.32Å; V187-I224 HydrophobicContact CG1-CG1 4.46Å; V187-I224 HydrophobicContact CG2-CD1 4.07Å; V187-I224 HydrophobicContact CG2-CG1 4.27Å
188Q98.1Very high97.6Very high110 Ų11041.3 Ų41.351%0.51423%0.227SC..Hα-helixtrans-60.2-42.8175.2-72.9172.8-2.200111.7E184 H185 V186 K191 G192E184-Q188 WeakPolarHBondContact O-CG 3.21Å; E184-Q188 PolarHBondContact O-N 3.4Å; E184-Q188 PolarHBondContact OE1-NE2 2.87Å; H185-Q188 PolarHBondContact O-N 2.93Å; V186-Q188 VanDerWaalsContact C-N 3.35Å; V186-Q188 PolarHBondContact O-N 2.87Å; Q188-K191 PolarHBondContact O-N 3.26Å; Q188-G192 PolarHBondContact O-N 2.93Å
189H98.5Very high97.7Very high51 Ų5141.3 Ų41.324%0.23623%0.227CC..Hα-helixtrans-60.9-50.3175.8-176.470.9000112.1E95 I97 H185 V186 V187 K191 G192 L193E95-H189 IonicContact OE1-CD2 2.71Å; E95-H189 IonicContact OE1-CE1 3.17Å; E95-H189 PolarHBondContact OE1-CE1 3.14Å; E95-H189 IonicContact OE1-NE2 2.8Å; E95-H189 PolarHBondContact OE1-NE2 3.16Å; I97-H189 HydrophobicContact CD1-CB 4.4Å; H185-H189 WeakPolarHBondContact O-CB 3.5Å; H185-H189 PolarHBondContact O-N 3.23Å; V186-H189 WeakPolarHBondContact O-CB 3.44Å; V186-H189 PolarHBondContact O-N 2.94Å; V187-H189 VanDerWaalsContact C-N 3.33Å; V187-H189 PolarHBondContact O-N 3.16Å; H189-K191 VanDerWaalsContact C-N 3.34Å; H189-K191 PolarHBondContact O-N 3.43Å; H189-G192 PolarHBondContact O-N 3.09Å; H189-G192 VanDerWaalsContact O-N 3.12Å; H189-L193 PolarHBondContact O-N 3.33Å
190V98.3Very high97.9Very high1 Ų139.6 Ų39.61%0.00622%0.218CC..Hα-helixtrans-59.8-44.5178.5173.40000111W109 T126 V157 V186 V187 G192 L193 Y194 V199W109-V190 HydrophobicContact CH2-CG2 3.82Å; W109-V190 HydrophobicContact CZ2-CG2 4.36Å; T126-V190 HydrophobicContact CG2-CG1 4.05Å; V157-V190 HydrophobicContact CG2-CG2 4.47Å; V186-V190 HydrophobicContact CG1-CG2 4.33Å; V186-V190 VanDerWaalsContact O-CG2 3.28Å; V186-V190 WeakPolarHBondContact O-CG2 3.41Å; V186-V190 PolarHBondContact O-N 3.33Å; V187-V190 PolarHBondContact O-N 3.23Å; V190-G192 VanDerWaalsContact C-N 3.33Å; V190-L193 PolarHBondContact O-N 3.1Å; V190-Y194 PolarHBondContact O-N 3.33Å; V190-V199 HydrophobicContact CG1-CG2 3.97Å
191K98Very high97.9Very high58 Ų5839.5 Ų39.525%0.25222%0.217SC..Hα-helixtrans-69.1-29.1176.7-71.5-60.5-53.7-179.20112.8V187 Q188 H189 Y194 P195 A197 V199V187-K191 HydrophobicContact CG1-CG 4.32Å; V187-K191 WeakPolarHBondContact O-CB 3.37Å; V187-K191 WeakPolarHBondContact O-CG 3.38Å; V187-K191 PolarHBondContact O-N 3.01Å; Q188-K191 PolarHBondContact O-N 3.26Å; H189-K191 VanDerWaalsContact C-N 3.34Å; H189-K191 PolarHBondContact O-N 3.43Å; K191-Y194 CarbonylContact O-C 3.52Å; K191-P195 WeakPolarHBondContact CE-O 3.32Å; K191-P195 PolarHBondContact NZ-O 2.77Å; K191-P195 WeakPolarHBondContact O-CA 3.14Å; K191-P195 WeakPolarHBondContact O-CD 3.46Å; K191-P195 WeakPolarHBondContact O-CG 3.35Å; K191-P195 VanDerWaalsContact O-N 3.1Å; K191-A197 PolarHBondContact NZ-O 3.14Å; K191-V199 HydrophobicContact CD-CG2 3.73Å
192G97.8Very high98.1Very high59 Ų5937 Ų3761%0.60820%0.201SC*.Hα-helixtrans-67.5-41.1172.900000112.3Q188 H189 V190Q188-G192 PolarHBondContact O-N 2.93Å; H189-G192 PolarHBondContact O-N 3.09Å; H189-G192 VanDerWaalsContact O-N 3.12Å; V190-G192 VanDerWaalsContact C-N 3.33Å
193L97.7Very high98.1Very high79 Ų7936.7 Ų36.741%0.41420%0.199SC..Hα-helixtrans-70.5-40.8175.4-67.7176.5000112.5W109 H189 V190W109-L193 HydrophobicContact CH2-CD1 3.83Å; W109-L193 HydrophobicContact CZ2-CD1 4.01Å; H189-L193 PolarHBondContact O-N 3.33Å; V190-L193 PolarHBondContact O-N 3.1Å
194Y97.8Very high98.2Very high37 Ų3737.2 Ų37.215%0.14520%0.202CC..  trans-132.277-176.7-53.5-71.9000111.8W109 S121 R155 V190 K191 Q196 A197W109-Y194 HydrophobicContact CH2-CE2 4.49Å; W109-Y194 AromaticContact CZ3-CE2 3.99Å; W109-Y194 HydrophobicContact CZ3-CE2 3.99Å; S121-Y194 WeakPolarHBondContact O-CD1 3.34Å; R155-Y194 VanDerWaalsContact CZ-CE2 3.43Å; R155-Y194 VanDerWaalsContact NH1-CD2 3.31Å; R155-Y194 VanDerWaalsContact NH1-CG 3.27Å; R155-Y194 VanDerWaalsContact NH2-CZ 3.34Å; V190-Y194 PolarHBondContact O-N 3.33Å; K191-Y194 CarbonylContact O-C 3.52Å; Y194-Q196 VanDerWaalsContact C-N 3.28Å; Y194-Q196 PolarHBondContact O-N 3.46Å; Y194-A197 PolarHBondContact O-N 3.07Å
195P97.3Very high98.1Very high78 Ų7835.7 Ų35.751%0.50620%0.197SC..THydrogen-bonded Turntrans-61.5-32.6-174.2-25.534.7000114.4K191K191-P195 WeakPolarHBondContact CE-O 3.32Å; K191-P195 PolarHBondContact NZ-O 2.77Å; K191-P195 WeakPolarHBondContact O-CA 3.14Å; K191-P195 WeakPolarHBondContact O-CD 3.46Å; K191-P195 WeakPolarHBondContact O-CG 3.35Å; K191-P195 VanDerWaalsContact O-N 3.1Å
196Q97Very high98.1Very high149 Ų14934.3 Ų34.370%0.69619%0.191SC*.THydrogen-bonded Turntrans-92.5-13.3-177-58.7-58.2-28.300113.6V123 Y194V123-Q196 HydrophobicContact CG1-CB 3.95Å; Y194-Q196 VanDerWaalsContact C-N 3.28Å; Y194-Q196 PolarHBondContact O-N 3.46Å
197A97.6Very high98.1Very high1 Ų134.3 Ų34.31%0.00819%0.191CC..SBendtrans-71.8130.3177.500000110.8G122 R124 K191 Y194G122-A197 PolarHBondContact O-N 3.47Å; R124-A197 VanDerWaalsContact O-CB 3.26Å; R124-A197 WeakPolarHBondContact O-CB 3.39Å; K191-A197 PolarHBondContact NZ-O 3.14Å; Y194-A197 PolarHBondContact O-N 3.07Å
198P98.2Very high98.1Very high40 Ų4034.1 Ų34.126%0.2619%0.19SC..  trans-70.3139.2168.729.4-32.8000109.8P125 T126 V225 F387P125-P198 HydrophobicContact CB-CG 4.06Å; P125-P198 HydrophobicContact CG-CG 4.15Å; T126-P198 PolarHBondContact N-O 3.03Å; P198-V225 HydrophobicContact CB-CG1 4.02Å; P198-V225 HydrophobicContact CB-CG2 4.13Å; P198-F387 HydrophobicContact CB-CD1 4.26Å; P198-F387 HydrophobicContact CB-CE1 4.1Å; P198-F387 HydrophobicContact CG-CD1 4.06Å; P198-F387 HydrophobicContact CG-CE1 4.15Å
199V98.8Very high98.1Very high1 Ų129.3 Ų29.31%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-116.5124.1-178.5-177.30000109.9T126 L128 V190 K191 I224 V225T126-V199 CarbonylContact O-C 3.58Å; T126-V199 VanDerWaalsContact O-CA 3.3Å; T126-V199 WeakPolarHBondContact O-CA 3.35Å; L128-V199 HydrophobicContact CB-CG1 4.14Å; V190-V199 HydrophobicContact CG1-CG2 3.97Å; K191-V199 HydrophobicContact CD-CG2 3.73Å; V199-I224 HydrophobicContact CG1-CG1 4.47Å; V199-I224 CarbonylContact O-C 3.6Å; V199-I224 VanDerWaalsContact O-CA 3.31Å; V199-I224 WeakPolarHBondContact O-CA 3.3Å; V199-V225 WeakPolarHBondContact O-CG2 3.44Å; V199-V225 PolarHBondContact O-N 3.29Å
200L98.8Very high98.1Very high0 Ų027.1 Ų27.10%016%0.157CC..EExtended strand (participates in β ladder)trans-107.3131.3172.5179.9155.3000109.5T126 V127 L128 A202 A226 I228 F382 V383 V386 F387T126-L200 PolarHBondContact O-N 2.81Å; V127-L200 HydrophobicContact CG1-CD2 4.16Å; L128-L200 PolarHBondContact N-O 3.13Å; L200-A202 HydrophobicContact CD2-CB 4.34Å; L200-A226 WeakPolarHBondContact CA-O 3.5Å; L200-A226 HydrophobicContact CD1-CB 4.17Å; L200-A226 HydrophobicContact CG-CB 4.38Å; L200-I228 HydrophobicContact CD2-CG2 4.05Å; L200-F382 HydrophobicContact CD1-CE1 4.44Å; L200-V383 HydrophobicContact CD1-CB 4.39Å; L200-V383 HydrophobicContact CD1-CG1 4.48Å; L200-V383 HydrophobicContact CD1-CG2 4.05Å; L200-V383 HydrophobicContact CD2-CG2 3.9Å; L200-V386 HydrophobicContact CD1-CB 3.89Å; L200-V386 HydrophobicContact CD1-CG1 4Å; L200-V386 HydrophobicContact CD1-CG2 3.89Å; L200-F387 HydrophobicContact CB-CE1 3.87Å; L200-F387 HydrophobicContact CB-CE2 4.38Å; L200-F387 HydrophobicContact CB-CZ 3.5Å; L200-F387 VanDerWaalsContact CB-CZ 3.5Å
201G98.8Very high98.2Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-89.8133.2175.400000111.7L128 L211 A226 G227 I228L128-G201 CarbonylContact O-C 3.5Å; G201-L211 VanDerWaalsContact C-CD2 3.46Å; G201-L211 WeakPolarHBondContact O-CD2 3.36Å; G201-A226 PolarHBondContact N-O 2.98Å; G201-G227 CarbonylContact O-C 3.5Å; G201-G227 VanDerWaalsContact O-CA 3.31Å; G201-G227 WeakPolarHBondContact O-CA 3.38Å; G201-I228 PolarHBondContact O-N 3.06Å
202A98.8Very high98.2Very high6 Ų624.4 Ų24.45%0.0515%0.146CC..EExtended strand (participates in β ladder)trans-128.4110.2178.100000110.6V127 L128 I129 L130 L200 I228 F379V127-A202 HydrophobicContact CG1-CB 4.18Å; L128-A202 PolarHBondContact O-N 3.11Å; I129-A202 CarbonylContact C-O 3.05Å; I129-A202 WeakPolarHBondContact CA-O 3.21Å; I129-A202 HydrophobicContact CG1-CB 4.39Å; L130-A202 PolarHBondContact N-O 2.96Å; L200-A202 HydrophobicContact CD2-CB 4.34Å; A202-I228 CarbonylContact C-O 3.41Å; A202-I228 WeakPolarHBondContact CA-O 3.3Å; A202-I228 HydrophobicContact CB-CG2 3.56Å; A202-F379 HydrophobicContact CB-CD2 4.32Å; A202-F379 HydrophobicContact CB-CE2 3.64Å
203G98.5Very high98.3Very high1 Ų121.7 Ų21.71%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-117.3132.4-174.900000113.6G208 I228 T229 I230G203-G208 VanDerWaalsContact C-N 3.34Å; G203-I228 PolarHBondContact N-O 3.25Å; G203-T229 CarbonylContact O-C 3.57Å; G203-T229 WeakPolarHBondContact O-CA 3.45Å; G203-I230 PolarHBondContact O-N 3.33Å
204V98.3Very high98.3Very high12 Ų1218.2 Ų18.27%0.07310%0.099CC..EExtended strand (participates in β ladder)trans-112.5129.3178.7-176.30000110L130 G132 Y141 L206 G207 I230 I361L130-V204 PolarHBondContact O-N 3.44Å; G132-V204 WeakPolarHBondContact CA-O 3.43Å; G132-V204 PolarHBondContact N-O 2.88Å; Y141-V204 HydrophobicContact CD2-CB 4.14Å; Y141-V204 HydrophobicContact CD2-CG1 4.04Å; Y141-V204 HydrophobicContact CD2-CG2 3.82Å; Y141-V204 HydrophobicContact CE2-CB 3.72Å; Y141-V204 HydrophobicContact CE2-CG1 3.85Å; Y141-V204 HydrophobicContact CE2-CG2 3.82Å; V204-L206 PolarHBondContact O-N 3.38Å; V204-L206 VanDerWaalsContact O-N 3.16Å; V204-G207 PolarHBondContact O-N 3.14Å; V204-I230 HydrophobicContact CG2-CB 4.4Å; V204-I230 HydrophobicContact CG2-CD1 4.5Å; V204-I361 HydrophobicContact CG1-CB 4.35Å; V204-I361 HydrophobicContact CG1-CD1 3.68Å; V204-I361 HydrophobicContact CG1-CG1 3.68Å; V204-I361 HydrophobicContact CG1-CG2 3.68Å
205S97.2Very high98.3Very high16 Ų1616.5 Ų16.511%0.1129%0.092CC..THydrogen-bonded Turntrans52.3-118.3179.5-178.30000111.2G207 G208 M209 I230 S231 H360S205-G207 VanDerWaalsContact C-N 3.26Å; S205-G207 PolarHBondContact O-N 2.96Å; S205-G208 WeakPolarHBondContact O-CA 3.3Å; S205-G208 PolarHBondContact O-N 3.02Å; S205-M209 PolarHBondContact O-N 2.85Å; S205-M209 VanDerWaalsContact O-N 3.14Å; S205-I230 PolarHBondContact N-O 3.1Å; S205-S231 WeakPolarHBondContact CA-O 3.45Å; S205-H360 WeakPolarHBondContact CB-NE2 3.27Å; S205-H360 PolarHBondContact OG-CE1 3.43Å; S205-H360 PolarHBondContact OG-NE2 2.77Å
206L97.7Very high98.4Very high17 Ų1713.1 Ų13.19%0.0897%0.071CC..Hα-helixtrans-52.2-41.3174.4-167.483.1000113.2L133 Y175 A177 V204 G208 M209 I210L133-L206 HydrophobicContact CB-CB 4.16Å; L133-L206 HydrophobicContact CB-CD2 4.26Å; L133-L206 HydrophobicContact CD1-CD1 4.48Å; L133-L206 HydrophobicContact CD1-CD2 3.8Å; Y175-L206 HydrophobicContact CD2-CD2 3.71Å; Y175-L206 HydrophobicContact CE2-CD2 3.48Å; Y175-L206 VanDerWaalsContact CE2-CD2 3.48Å; A177-L206 HydrophobicContact CB-CD1 3.67Å; V204-L206 PolarHBondContact O-N 3.38Å; V204-L206 VanDerWaalsContact O-N 3.16Å; L206-G208 PolarHBondContact O-N 2.67Å; L206-M209 HydrophobicContact CD1-SD 4.39Å; L206-M209 WeakPolarHBondContact O-CB 3.19Å; L206-M209 PolarHBondContact O-N 3.11Å; L206-M209 VanDerWaalsContact O-N 3.1Å; L206-I210 HydrophobicContact CD2-CD1 4.45Å; L206-I210 HydrophobicContact CG-CD1 4.38Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 2.89Å
207G98.4Very high98.4Very high0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-63.6-30.9177.800000112.5P131 V204 S205 L211P131-G207 WeakPolarHBondContact O-CA 3.31Å; P131-G207 PolarHBondContact O-N 3.11Å; V204-G207 PolarHBondContact O-N 3.14Å; S205-G207 VanDerWaalsContact C-N 3.26Å; S205-G207 PolarHBondContact O-N 2.96Å; G207-L211 WeakPolarHBondContact O-CB 3.38Å; G207-L211 PolarHBondContact O-N 2.96Å
208G98.6Very high98.5Very high0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-70.1-38.8171.900000112.5G203 S205 L206 L211 L212G203-G208 VanDerWaalsContact C-N 3.34Å; S205-G208 WeakPolarHBondContact O-CA 3.3Å; S205-G208 PolarHBondContact O-N 3.02Å; L206-G208 PolarHBondContact O-N 2.67Å; G208-L211 PolarHBondContact O-N 3.18Å; G208-L212 VanDerWaalsContact O-CG 3.3Å; G208-L212 WeakPolarHBondContact O-CG 3.45Å; G208-L212 PolarHBondContact O-N 3.44Å
209M98.8Very high98.4Very high10 Ų1018 Ų185%0.0498%0.079CC..Hα-helixtrans-61.2-46.4173.2-60.5174.57500111.4A177 S205 L206 L211 L212 N213 V232 A233 A236 A310 P312A177-M209 HydrophobicContact CB-CB 4.17Å; A177-M209 HydrophobicContact CB-CE 3.8Å; A177-M209 HydrophobicContact CB-SD 4.06Å; S205-M209 PolarHBondContact O-N 2.85Å; S205-M209 VanDerWaalsContact O-N 3.14Å; L206-M209 HydrophobicContact CD1-SD 4.39Å; L206-M209 WeakPolarHBondContact O-CB 3.19Å; L206-M209 PolarHBondContact O-N 3.11Å; L206-M209 VanDerWaalsContact O-N 3.1Å; M209-L211 VanDerWaalsContact C-N 3.34Å; M209-L211 PolarHBondContact O-N 2.91Å; M209-L212 PolarHBondContact O-N 3.23Å; M209-N213 WeakPolarHBondContact O-CB 3.47Å; M209-N213 PolarHBondContact O-N 2.79Å; M209-N213 PolarHBondContact O-ND2 2.83Å; M209-V232 HydrophobicContact CG-CG1 3.96Å; M209-A233 HydrophobicContact CE-CB 4.48Å; M209-A233 HydrophobicContact SD-CB 3.94Å; M209-A236 HydrophobicContact CE-CB 4.09Å; M209-A310 HydrophobicContact CE-CB 4.14Å; M209-A310 WeakPolarHBondContact CE-O 3.48Å; M209-P312 HydrophobicContact CG-CG 4.47Å
210I98.7Very high98.2Very high4 Ų423.7 Ų23.72%0.02111%0.114CC..Hα-helixtrans-59.5-46.6176.9-64.5168.3000110.2L130 L183 L206 N213 Y214L130-I210 HydrophobicContact CD2-CB 4.24Å; L130-I210 HydrophobicContact CD2-CG2 3.96Å; L183-I210 HydrophobicContact CB-CG2 4.24Å; L183-I210 HydrophobicContact CD2-CG2 4.01Å; L206-I210 HydrophobicContact CD2-CD1 4.45Å; L206-I210 HydrophobicContact CG-CD1 4.38Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 2.89Å; I210-N213 PolarHBondContact O-N 3.4Å; I210-Y214 WeakPolarHBondContact O-CB 3.47Å; I210-Y214 PolarHBondContact O-N 3.44Å
211L98.9Very high98.1Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-60.6-48.2178.7179.160.8000111.9L183 G201 G207 G208 M209 Y214 L215 I224 T229L183-L211 HydrophobicContact CD2-CD1 4.39Å; G201-L211 VanDerWaalsContact C-CD2 3.46Å; G201-L211 WeakPolarHBondContact O-CD2 3.36Å; G207-L211 WeakPolarHBondContact O-CB 3.38Å; G207-L211 PolarHBondContact O-N 2.96Å; G208-L211 PolarHBondContact O-N 3.18Å; M209-L211 VanDerWaalsContact C-N 3.34Å; M209-L211 PolarHBondContact O-N 2.91Å; L211-Y214 WeakPolarHBondContact O-CB 3.35Å; L211-Y214 PolarHBondContact O-N 3.49Å; L211-L215 HydrophobicContact CD1-CD1 4.03Å; L211-L215 HydrophobicContact CD1-CG 4.04Å; L211-L215 HydrophobicContact CG-CD1 4.03Å; L211-L215 HydrophobicContact CG-CG 4.4Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 2.83Å; L211-I224 HydrophobicContact CD1-CD1 3.87Å; L211-T229 HydrophobicContact CD2-CG2 4.18Å
212L98.8Very high98Very high2 Ų231.1 Ų31.11%0.0115%0.149CC..Hα-helixtrans-64.2-42.7179.2-67.5174.7000111.9G208 M209 Y214 L215 A216 T229 V232 W234 P312 L316 I323G208-L212 VanDerWaalsContact O-CG 3.3Å; G208-L212 WeakPolarHBondContact O-CG 3.45Å; G208-L212 PolarHBondContact O-N 3.44Å; M209-L212 PolarHBondContact O-N 3.23Å; L212-Y214 VanDerWaalsContact C-N 3.29Å; L212-Y214 PolarHBondContact O-N 2.98Å; L212-L215 PolarHBondContact O-N 2.93Å; L212-A216 VanDerWaalsContact O-CB 3.28Å; L212-A216 WeakPolarHBondContact O-CB 3.48Å; L212-A216 PolarHBondContact O-N 3.06Å; L212-T229 HydrophobicContact CD1-CG2 4.3Å; L212-T229 HydrophobicContact CD2-CG2 3.99Å; L212-T229 HydrophobicContact CG-CG2 3.92Å; L212-V232 HydrophobicContact CD1-CG1 4.01Å; L212-V232 HydrophobicContact CD1-CG2 4.38Å; L212-W234 HydrophobicContact CD1-CH2 3.85Å; L212-W234 HydrophobicContact CD1-CZ3 3.69Å; L212-P312 HydrophobicContact CB-CB 3.75Å; L212-P312 HydrophobicContact CD1-CB 3.84Å; L212-P312 HydrophobicContact CD1-CG 4.02Å; L212-P312 HydrophobicContact CG-CB 4.47Å; L212-L316 HydrophobicContact CD1-CD2 4.44Å; L212-L316 HydrophobicContact CD2-CD2 4.02Å; L212-I323 HydrophobicContact CD2-CD1 4.1Å; L212-I323 HydrophobicContact CD2-CG2 3.91Å
213N98.8Very high98Very high3 Ų332.5 Ų32.52%0.01616%0.164CC..Hα-helixtrans-61.3-39.3175.6-78-35.7000111.6A177 T180 M209 I210 R217 A310 K315A177-N213 PolarHBondContact O-ND2 3.37Å; T180-N213 HydrophobicContact CG2-CB 3.86Å; M209-N213 WeakPolarHBondContact O-CB 3.47Å; M209-N213 PolarHBondContact O-N 2.79Å; M209-N213 PolarHBondContact O-ND2 2.83Å; I210-N213 PolarHBondContact O-N 3.4Å; N213-R217 VanDerWaalsContact O-CB 3.26Å; N213-R217 WeakPolarHBondContact O-CB 3.32Å; N213-R217 PolarHBondContact O-N 2.96Å; N213-A310 PolarHBondContact ND2-O 2.93Å; N213-K315 WeakPolarHBondContact OD1-CD 3.31Å; N213-K315 PolarHBondContact OD1-NZ 2.63Å
214Y98.8Very high98Very high5 Ų532.8 Ų32.82%0.0217%0.165CC..Hα-helixtrans-66.2-49.9176.1172.6-102.6000112.2L183 E184 V187 I210 L211 L212 A216 R217 K218 S222 I224L183-Y214 VanDerWaalsContact CD2-CB 3.45Å; L183-Y214 HydrophobicContact CD2-CD1 3.74Å; L183-Y214 HydrophobicContact CD2-CD2 4.16Å; L183-Y214 HydrophobicContact CD2-CG 3.5Å; L183-Y214 HydrophobicContact CG-CD1 4.19Å; L183-Y214 HydrophobicContact CG-CD2 4.18Å; L183-Y214 HydrophobicContact CG-CG 3.97Å; E184-Y214 HydrophobicContact CB-CD2 4.35Å; E184-Y214 HydrophobicContact CB-CE2 3.74Å; E184-Y214 HydrophobicContact CG-CE2 4.26Å; V187-Y214 HydrophobicContact CG2-CE1 4.15Å; I210-Y214 WeakPolarHBondContact O-CB 3.47Å; I210-Y214 PolarHBondContact O-N 3.44Å; L211-Y214 WeakPolarHBondContact O-CB 3.35Å; L211-Y214 PolarHBondContact O-N 3.49Å; L212-Y214 VanDerWaalsContact C-N 3.29Å; L212-Y214 PolarHBondContact O-N 2.98Å; Y214-A216 VanDerWaalsContact C-N 3.28Å; Y214-A216 PolarHBondContact O-N 2.76Å; Y214-R217 PolarHBondContact O-N 3.34Å; Y214-R217 VanDerWaalsContact O-N 3.12Å; Y214-K218 HydrophobicContact CD2-CG 3.95Å; Y214-K218 HydrophobicContact CE2-CB 4.37Å; Y214-K218 HydrophobicContact CE2-CG 3.49Å; Y214-K218 VanDerWaalsContact CE2-CG 3.49Å; Y214-K218 PolarHBondContact O-N 2.84Å; Y214-S222 WeakPolarHBondContact CE1-O 3.39Å; Y214-S222 PolarHBondContact OH-O 3.15Å; Y214-I224 HydrophobicContact CD1-CD1 4.03Å; Y214-I224 HydrophobicContact CE1-CD1 3.68Å; Y214-I224 HydrophobicContact CE1-CG1 4.27Å
215L98.7Very high98Very high1 Ų135.2 Ų35.21%0.00518%0.179CC..Hα-helixtrans-61.1-38.1178.9-68.3177.3000111.7L211 L212 R219 I224 T319 V321 I323L211-L215 HydrophobicContact CD1-CD1 4.03Å; L211-L215 HydrophobicContact CD1-CG 4.04Å; L211-L215 HydrophobicContact CG-CD1 4.03Å; L211-L215 HydrophobicContact CG-CG 4.4Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 2.83Å; L212-L215 PolarHBondContact O-N 2.93Å; L215-R219 WeakPolarHBondContact O-CA 3.43Å; L215-R219 PolarHBondContact O-N 3.34Å; L215-I224 HydrophobicContact CD2-CB 4.02Å; L215-I224 HydrophobicContact CD2-CD1 4.18Å; L215-I224 HydrophobicContact CD2-CG2 4.07Å; L215-T319 HydrophobicContact CB-CG2 4.1Å; L215-V321 HydrophobicContact CD1-CG2 3.97Å; L215-V321 HydrophobicContact CD2-CG2 3.85Å; L215-V321 HydrophobicContact CG-CG2 4.4Å; L215-I323 HydrophobicContact CD1-CD1 3.71Å; L215-I323 HydrophobicContact CD1-CG1 4Å
216A98.3Very high98.1Very high8 Ų834.4 Ų34.47%0.06617%0.174CC..Hα-helixtrans-68.8-36.4175.200000113L212 Y214 K315 H318 T319L212-A216 VanDerWaalsContact O-CB 3.28Å; L212-A216 WeakPolarHBondContact O-CB 3.48Å; L212-A216 PolarHBondContact O-N 3.06Å; Y214-A216 VanDerWaalsContact C-N 3.28Å; Y214-A216 PolarHBondContact O-N 2.76Å; A216-K315 HydrophobicContact CB-CB 3.84Å; A216-K315 VanDerWaalsContact CB-O 3.28Å; A216-K315 WeakPolarHBondContact CB-O 3.32Å; A216-H318 HydrophobicContact CB-CB 4.12Å; A216-H318 WeakPolarHBondContact O-CB 3.31Å; A216-T319 HydrophobicContact CB-CG2 4.14Å
217R98Very high98.1Very high123 Ų12333.6 Ų33.646%0.46417%0.17SC..Hα-helixtrans-74.3-43.8179.7-178.1174.5-73.8149-2.6112A178 T180 N213 Y214A178-R217 PolarHBondContact O-NH1 3.32Å; T180-R217 PolarHBondContact OG1-NH1 2.85Å; N213-R217 VanDerWaalsContact O-CB 3.26Å; N213-R217 WeakPolarHBondContact O-CB 3.32Å; N213-R217 PolarHBondContact O-N 2.96Å; Y214-R217 PolarHBondContact O-N 3.34Å; Y214-R217 VanDerWaalsContact O-N 3.12Å
218K97.9Very high98.1Very high44 Ų4433.7 Ų33.719%0.19117%0.17CC..Hα-helixtrans-90.8-22.9-176-70.7-57.6-167.7178.10114.8E184 Y214 T220 E221E184-K218 WeakPolarHBondContact OE1-CE 3.34Å; E184-K218 IonicContact OE1-NZ 3.83Å; E184-K218 PolarHBondContact OE1-NZ 2.87Å; E184-K218 WeakPolarHBondContact OE2-CE 3.28Å; E184-K218 IonicContact OE2-NZ 3.53Å; E184-K218 PolarHBondContact OE2-NZ 3.39Å; Y214-K218 HydrophobicContact CD2-CG 3.95Å; Y214-K218 HydrophobicContact CE2-CB 4.37Å; Y214-K218 HydrophobicContact CE2-CG 3.49Å; Y214-K218 VanDerWaalsContact CE2-CG 3.49Å; Y214-K218 PolarHBondContact O-N 2.84Å; K218-T220 PolarHBondContact O-N 2.93Å; K218-E221 WeakPolarHBondContact O-CB 3.32Å; K218-E221 PolarHBondContact O-N 3.24Å
219R96.8Very high98.1Very high124 Ų12433.7 Ų33.747%0.46817%0.17SC..G310 helixtrans52.8-123.4178.7-43.8-164.3172.7-178.8-2.5110.8L215 E221 S222 H318 A320L215-R219 WeakPolarHBondContact O-CA 3.43Å; L215-R219 PolarHBondContact O-N 3.34Å; R219-E221 PolarHBondContact O-N 3.06Å; R219-S222 VanDerWaalsContact O-CB 3.31Å; R219-S222 WeakPolarHBondContact O-CB 3.15Å; R219-S222 PolarHBondContact O-N 3.26Å; R219-S222 PolarHBondContact O-OG 3.05Å; R219-S222 VanDerWaalsContact O-OG 3.09Å; R219-H318 VanDerWaalsContact CG-O 3.25Å; R219-H318 WeakPolarHBondContact CG-O 3.25Å; R219-H318 PolarHBondContact NH2-ND1 3.18Å; R219-H318 VanDerWaalsContact NH2-ND1 3.15Å; R219-A320 HydrophobicContact CB-CB 4.1Å
220T95.3Very high98.1Very high122 Ų12233.8 Ų33.875%0.74817%0.171SC*.G310 helixtrans-67.6-19.3178.850.90000113.9K218 S222 A320K218-T220 PolarHBondContact O-N 2.93Å; T220-S222 VanDerWaalsContact C-N 3.29Å; T220-A320 HydrophobicContact CG2-CB 3.83Å
221E96.9Very high98.1Very high154 Ų15433.6 Ų33.672%0.7217%0.17SC*.G310 helixtrans-89.96.7178.6-59.6178.2179.500112.6K218 R219 G223K218-E221 WeakPolarHBondContact O-CB 3.32Å; K218-E221 PolarHBondContact O-N 3.24Å; R219-E221 PolarHBondContact O-N 3.06Å; E221-G223 PolarHBondContact O-N 3.32Å; E221-G223 VanDerWaalsContact O-N 3.15Å
222S97Very high98.1Very high2 Ų233.6 Ų33.61%0.01417%0.17CC..SBendtrans-66-16.5-174.964.90000114.2V187 Y214 R219 T220 I224V187-S222 WeakPolarHBondContact CG1-O 3.32Å; Y214-S222 WeakPolarHBondContact CE1-O 3.39Å; Y214-S222 PolarHBondContact OH-O 3.15Å; R219-S222 VanDerWaalsContact O-CB 3.31Å; R219-S222 WeakPolarHBondContact O-CB 3.15Å; R219-S222 PolarHBondContact O-N 3.26Å; R219-S222 PolarHBondContact O-OG 3.05Å; R219-S222 VanDerWaalsContact O-OG 3.09Å; T220-S222 VanDerWaalsContact C-N 3.29Å; S222-I224 PolarHBondContact O-N 2.76Å; S222-I224 PolarHBondContact OG-N 3.41Å; S222-I224 PolarHBondContact OG-O 3.06Å
223G97.4Very high98Very high35 Ų3534 Ų3436%0.36117%0.174SC..  trans65.55.6-175.600000114.3E221E221-G223 PolarHBondContact O-N 3.32Å; E221-G223 VanDerWaalsContact O-N 3.15Å
224I98.4Very high98Very high7 Ų733.9 Ų33.94%0.03617%0.173CC..  trans-109.4135.2179.4-68.4-179.7000108.1V187 V199 L211 Y214 L215 S222 A226 V321V187-I224 HydrophobicContact CG1-CG1 4.46Å; V187-I224 HydrophobicContact CG2-CD1 4.07Å; V187-I224 HydrophobicContact CG2-CG1 4.27Å; V199-I224 HydrophobicContact CG1-CG1 4.47Å; V199-I224 CarbonylContact O-C 3.6Å; V199-I224 VanDerWaalsContact O-CA 3.31Å; V199-I224 WeakPolarHBondContact O-CA 3.3Å; L211-I224 HydrophobicContact CD1-CD1 3.87Å; Y214-I224 HydrophobicContact CD1-CD1 4.03Å; Y214-I224 HydrophobicContact CE1-CD1 3.68Å; Y214-I224 HydrophobicContact CE1-CG1 4.27Å; L215-I224 HydrophobicContact CD2-CB 4.02Å; L215-I224 HydrophobicContact CD2-CD1 4.18Å; L215-I224 HydrophobicContact CD2-CG2 4.07Å; S222-I224 PolarHBondContact O-N 2.76Å; S222-I224 PolarHBondContact OG-N 3.41Å; S222-I224 PolarHBondContact OG-O 3.06Å; I224-A226 WeakPolarHBondContact CG2-O 3.48Å; I224-V321 WeakPolarHBondContact O-CG1 3.32Å
225V98.4Very high97.9Very high62 Ų6236.3 Ų36.338%0.37619%0.186SC..SBendtrans-88.4-25.1-178.5-57.60000113.2P198 V199 P322 V386 F387P198-V225 HydrophobicContact CB-CG1 4.02Å; P198-V225 HydrophobicContact CB-CG2 4.13Å; V199-V225 WeakPolarHBondContact O-CG2 3.44Å; V199-V225 PolarHBondContact O-N 3.29Å; V225-P322 VanDerWaalsContact O-CD 3.29Å; V225-P322 WeakPolarHBondContact O-CD 3.49Å; V225-V386 HydrophobicContact CG2-CG1 3.97Å; V225-F387 HydrophobicContact CG2-CE1 4.14Å
226A98.8Very high97.9Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-161.6162.7174.600000111.3L200 G201 I224 P322 V386L200-A226 WeakPolarHBondContact CA-O 3.5Å; L200-A226 HydrophobicContact CD1-CB 4.17Å; L200-A226 HydrophobicContact CG-CB 4.38Å; G201-A226 PolarHBondContact N-O 2.98Å; I224-A226 WeakPolarHBondContact CG2-O 3.48Å; A226-P322 CarbonylContact C-O 3.6Å; A226-P322 VanDerWaalsContact CA-O 3.24Å; A226-P322 WeakPolarHBondContact CA-O 3.27Å; A226-P322 HydrophobicContact CB-CB 4.32Å; A226-P322 WeakPolarHBondContact CB-O 3.31Å; A226-V386 HydrophobicContact CB-CB 4.37Å; A226-V386 HydrophobicContact CB-CG1 3.69Å; A226-V386 HydrophobicContact CB-CG2 3.72Å
227G98.7Very high97.8Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-123.7141.6175.900000113.1G201 P322 I323 L324 F382G201-G227 CarbonylContact O-C 3.5Å; G201-G227 VanDerWaalsContact O-CA 3.31Å; G201-G227 WeakPolarHBondContact O-CA 3.38Å; G227-P322 PolarHBondContact N-O 3.19Å; G227-I323 CarbonylContact O-C 3.53Å; G227-I323 VanDerWaalsContact O-CA 3.26Å; G227-I323 WeakPolarHBondContact O-CA 3.46Å; G227-L324 PolarHBondContact O-N 2.85Å; G227-F382 WeakPolarHBondContact O-CE1 3.35Å
228I98.9Very high97.8Very high2 Ų237.8 Ų37.81%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-121.5136162.4-171.8173.6000110.1L200 G201 A202 G203 L324 F379 F382L200-I228 HydrophobicContact CD2-CG2 4.05Å; G201-I228 PolarHBondContact O-N 3.06Å; A202-I228 CarbonylContact C-O 3.41Å; A202-I228 WeakPolarHBondContact CA-O 3.3Å; A202-I228 HydrophobicContact CB-CG2 3.56Å; G203-I228 PolarHBondContact N-O 3.25Å; I228-L324 CarbonylContact C-O 3.58Å; I228-L324 VanDerWaalsContact CA-O 3.27Å; I228-L324 WeakPolarHBondContact CA-O 3.24Å; I228-F379 HydrophobicContact CD1-CB 4.2Å; I228-F379 HydrophobicContact CD1-CD2 4.36Å; I228-F379 HydrophobicContact CG2-CD2 3.92Å; I228-F379 HydrophobicContact CG2-CE2 4.25Å; I228-F382 HydrophobicContact CB-CD1 3.82Å; I228-F382 HydrophobicContact CB-CE1 4.01Å; I228-F382 HydrophobicContact CD1-CB 4.26Å; I228-F382 HydrophobicContact CD1-CD1 4.06Å; I228-F382 HydrophobicContact CD1-CG 4.48Å; I228-F382 HydrophobicContact CG1-CD1 4.24Å
229T98.8Very high97.8Very high0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-127.8145.1174.771.90000112.8G203 L211 L212 V232 L324 C325 L326G203-T229 CarbonylContact O-C 3.57Å; G203-T229 WeakPolarHBondContact O-CA 3.45Å; L211-T229 HydrophobicContact CD2-CG2 4.18Å; L212-T229 HydrophobicContact CD1-CG2 4.3Å; L212-T229 HydrophobicContact CD2-CG2 3.99Å; L212-T229 HydrophobicContact CG-CG2 3.92Å; T229-V232 HydrophobicContact CG2-CG2 4.2Å; T229-L324 PolarHBondContact N-O 3.3Å; T229-C325 CarbonylContact O-C 3.48Å; T229-C325 WeakPolarHBondContact O-CA 3.5Å; T229-C325 WeakPolarHBondContact OG1-CB 3.16Å; T229-C325 PolarHBondContact OG1-SG 2.87Å; T229-L326 PolarHBondContact O-N 3.03Å
230I98.6Very high97.8Very high12 Ų1230.7 Ų30.76%0.06217%0.174CC..EExtended strand (participates in β ladder)trans-131.3127.7-177.8-58.4168.2000109.4G203 V204 S205 V232 L326 F363 M375G203-I230 PolarHBondContact O-N 3.33Å; V204-I230 HydrophobicContact CG2-CB 4.4Å; V204-I230 HydrophobicContact CG2-CD1 4.5Å; S205-I230 PolarHBondContact N-O 3.1Å; I230-V232 VanDerWaalsContact C-N 3.33Å; I230-V232 PolarHBondContact O-N 3.21Å; I230-L326 HydrophobicContact CG1-CB 4.47Å; I230-L326 HydrophobicContact CG2-CD2 4.26Å; I230-F363 HydrophobicContact CG2-CD2 4.48Å; I230-F363 HydrophobicContact CG2-CE2 3.84Å; I230-M375 HydrophobicContact CD1-CB 4.27Å; I230-M375 HydrophobicContact CG2-CB 4.31Å; I230-M375 HydrophobicContact CG2-SD 4.03Å
231S98.2Very high97.9Very high0 Ų027.9 Ų27.90%015%0.154CC..SBendtrans54.243.3177.7-58.90000113.7S205 L326 D331 H360 I361 F363S205-S231 WeakPolarHBondContact CA-O 3.45Å; S231-L326 PolarHBondContact N-O 2.63Å; S231-D331 WeakPolarHBondContact CB-OD2 3.38Å; S231-H360 PolarHBondContact O-CE1 3.26Å; S231-H360 VanDerWaalsContact O-CE1 3.24Å; S231-I361 PolarHBondContact OG-N 3.45Å; S231-F363 WeakPolarHBondContact OG-CE2 3.48Å
232V97.8Very high97.9Very high0 Ų021.2 Ų21.20%012%0.124CC..  trans-71136.11771680000110.9M209 L212 T229 I230 W234 P312 N327 S334M209-V232 HydrophobicContact CG-CG1 3.96Å; L212-V232 HydrophobicContact CD1-CG1 4.01Å; L212-V232 HydrophobicContact CD1-CG2 4.38Å; T229-V232 HydrophobicContact CG2-CG2 4.2Å; I230-V232 VanDerWaalsContact C-N 3.33Å; I230-V232 PolarHBondContact O-N 3.21Å; V232-W234 HydrophobicContact CG1-CD2 4.31Å; V232-W234 HydrophobicContact CG1-CE3 4.44Å; V232-W234 PolarHBondContact O-N 2.78Å; V232-P312 HydrophobicContact CG1-CG 3.87Å; V232-N327 PolarHBondContact N-ND2 3.19Å; V232-N327 PolarHBondContact O-ND2 2.81Å; V232-S334 WeakPolarHBondContact O-CB 3.24Å; V232-S334 PolarHBondContact O-OG 3.19Å
233A97.4Very high97.9Very high11 Ų1121.4 Ų21.49%0.09113%0.125CC..  trans-77.4112.6163.900000110.2M209 S239 P312M209-A233 HydrophobicContact CE-CB 4.48Å; M209-A233 HydrophobicContact SD-CB 3.94Å; A233-S239 VanDerWaalsContact CB-OG 3.22Å; A233-S239 WeakPolarHBondContact CB-OG 3.42Å; A233-P312 WeakPolarHBondContact O-CD 3.39Å
234W98Very high97.9Very high0 Ų022.5 Ų22.50%012%0.121CC..SBendtrans-78.8-29.4-175-69.7102.4000114L212 V232 P312 A313 L316 C325 N327 T338 F339 P340 L352L212-W234 HydrophobicContact CD1-CH2 3.85Å; L212-W234 HydrophobicContact CD1-CZ3 3.69Å; V232-W234 HydrophobicContact CG1-CD2 4.31Å; V232-W234 HydrophobicContact CG1-CE3 4.44Å; V232-W234 PolarHBondContact O-N 2.78Å; W234-P312 HydrophobicContact CE3-CG 4.02Å; W234-P312 HydrophobicContact CZ3-CG 4.38Å; W234-P312 WeakPolarHBondContact O-CD 3.42Å; W234-A313 HydrophobicContact CB-CB 4.36Å; W234-A313 HydrophobicContact CE3-CB 4.33Å; W234-A313 WeakPolarHBondContact O-CB 3.37Å; W234-A313 PolarHBondContact O-N 3.17Å; W234-L316 HydrophobicContact CE3-CD1 4.42Å; W234-L316 HydrophobicContact CH2-CD1 4.01Å; W234-L316 HydrophobicContact CH2-CD2 4.32Å; W234-L316 HydrophobicContact CZ3-CD1 3.58Å; W234-L316 HydrophobicContact CZ3-CD2 3.97Å; W234-L316 HydrophobicContact CZ3-CG 3.95Å; W234-C325 HydrophobicContact CH2-CB 4.15Å; W234-C325 HydrophobicContact CZ2-CB 3.83Å; W234-N327 PolarHBondContact NE1-OD1 3.3Å; W234-T338 WeakPolarHBondContact CB-O 3.34Å; W234-F339 AromaticContact CD1-CD1 3.61Å; W234-P340 HydrophobicContact CD2-CG 3.67Å; W234-P340 HydrophobicContact CE3-CG 3.55Å; W234-P340 HydrophobicContact CG-CG 4.3Å; W234-P340 HydrophobicContact CH2-CG 4.12Å; W234-P340 HydrophobicContact CZ2-CG 4.24Å; W234-P340 HydrophobicContact CZ3-CG 3.8Å; W234-L352 HydrophobicContact CZ2-CD1 3.89Å
235D98.1Very high97.9Very high55 Ų5526.3 Ų26.329%0.29414%0.138SC..  trans-132.7107.5174.9-176.5-46.2000108.6L237 K238 S239 T338D235-L237 VanDerWaalsContact C-N 3.27Å; D235-L237 PolarHBondContact O-N 2.8Å; D235-L237 WeakPolarHBondContact OD1-CB 3.49Å; D235-L237 PolarHBondContact OD1-N 2.74Å; D235-K238 HydrophobicContact CB-CB 4.07Å; D235-K238 HydrophobicContact CB-CG 4.25Å; D235-K238 PolarHBondContact O-N 3.26Å; D235-K238 PolarHBondContact OD1-N 2.78Å; D235-S239 WeakPolarHBondContact O-CB 3.33Å; D235-S239 PolarHBondContact O-N 3Å; D235-S239 PolarHBondContact O-OG 2.93Å; D235-T338 HydrophobicContact CB-CG2 3.97Å
236A97.6Very high97.8Very high10 Ų1028.7 Ų28.78%0.08316%0.155CC..Hα-helixtrans-63.3-32.5-174.500000112.7M209 S240 Y307 A310 S311M209-A236 HydrophobicContact CE-CB 4.09Å; A236-S240 WeakPolarHBondContact O-CB 3.45Å; A236-S240 PolarHBondContact O-N 3.42Å; A236-Y307 HydrophobicContact CB-CD1 3.97Å; A236-Y307 HydrophobicContact CB-CG 4.02Å; A236-A310 HydrophobicContact CB-CB 4.14Å; A236-S311 PolarHBondContact N-OG 3.12Å
237L97Very high97.7Very high53 Ų5332.7 Ų32.728%0.27718%0.176SC..Hα-helixtrans-69.8-48.3178.6-179.866.4000110.2D235 S239 S240 D241 Y307D235-L237 VanDerWaalsContact C-N 3.27Å; D235-L237 PolarHBondContact O-N 2.8Å; D235-L237 WeakPolarHBondContact OD1-CB 3.49Å; D235-L237 PolarHBondContact OD1-N 2.74Å; L237-S239 VanDerWaalsContact C-N 3.34Å; L237-S239 PolarHBondContact O-N 3.27Å; L237-S240 WeakPolarHBondContact O-CB 3.29Å; L237-S240 PolarHBondContact O-N 3.11Å; L237-S240 VanDerWaalsContact O-N 3.17Å; L237-D241 PolarHBondContact O-N 3.36Å; L237-Y307 HydrophobicContact CB-CD2 4.23Å; L237-Y307 HydrophobicContact CD1-CD2 3.94Å
238K97.9Very high97.6Very high101 Ų10132.7 Ų32.744%0.43918%0.176SC..Hα-helixtrans-67.1-34.8177.5-66.7-61.1180-166.90112.9D235 D241 S242 T338D235-K238 HydrophobicContact CB-CB 4.07Å; D235-K238 HydrophobicContact CB-CG 4.25Å; D235-K238 PolarHBondContact O-N 3.26Å; D235-K238 PolarHBondContact OD1-N 2.78Å; K238-D241 IonicContact NZ-OD2 2.86Å; K238-D241 PolarHBondContact O-N 3.19Å; K238-S242 PolarHBondContact O-N 2.7Å; K238-T338 HydrophobicContact CB-CG2 3.46Å; K238-T338 VanDerWaalsContact CB-CG2 3.46Å; K238-T338 HydrophobicContact CG-CG2 3.99Å
239S97.4Very high97.5Very high10 Ų1036.5 Ų36.57%0.0719%0.19CC..Hα-helixtrans-61.9-43.4169.8-74.10000111.7A233 D235 L237 S242 M243 F333A233-S239 VanDerWaalsContact CB-OG 3.22Å; A233-S239 WeakPolarHBondContact CB-OG 3.42Å; D235-S239 WeakPolarHBondContact O-CB 3.33Å; D235-S239 PolarHBondContact O-N 3Å; D235-S239 PolarHBondContact O-OG 2.93Å; L237-S239 VanDerWaalsContact C-N 3.34Å; L237-S239 PolarHBondContact O-N 3.27Å; S239-S242 PolarHBondContact O-N 3.27Å; S239-M243 WeakPolarHBondContact O-CB 3.32Å; S239-M243 WeakPolarHBondContact O-CG 3.47Å; S239-M243 PolarHBondContact O-N 2.95Å; S239-F333 WeakPolarHBondContact CB-O 3.42Å; S239-F333 PolarHBondContact OG-O 2.81Å
240S97.1Very high97.4Very high9 Ų940.9 Ų40.96%0.06321%0.213CC..Hα-helixtrans-63.1-42.1174.4-175.80000112.3A236 L237 M243 E244 R287A236-S240 WeakPolarHBondContact O-CB 3.45Å; A236-S240 PolarHBondContact O-N 3.42Å; L237-S240 WeakPolarHBondContact O-CB 3.29Å; L237-S240 PolarHBondContact O-N 3.11Å; L237-S240 VanDerWaalsContact O-N 3.17Å; S240-M243 PolarHBondContact O-N 3.37Å; S240-E244 WeakPolarHBondContact O-CG 3.31Å; S240-E244 PolarHBondContact O-N 2.93Å; S240-E244 VanDerWaalsContact O-N 3.16Å; S240-R287 PolarHBondContact OG-NE 3.18Å; S240-R287 PolarHBondContact OG-NH2 2.8Å
241D97.7Very high97.3Very high62 Ų6242.5 Ų42.533%0.33222%0.222SC..Hα-helixtrans-58.7-48176.7-72-23.3000110.8L237 K238 M243 E244 E245 R287L237-D241 PolarHBondContact O-N 3.36Å; K238-D241 IonicContact NZ-OD2 2.86Å; K238-D241 PolarHBondContact O-N 3.19Å; D241-M243 PolarHBondContact O-N 3.29Å; D241-E244 PolarHBondContact O-N 3.36Å; D241-E245 PolarHBondContact O-N 3.18Å; D241-R287 IonicContact OD1-CZ 3.13Å; D241-R287 IonicContact OD1-NH1 3.92Å; D241-R287 IonicContact OD1-NH2 3.89Å; D241-R287 PolarHBondContact OD1-NH2 2.71Å
242S97.4Very high97.2Very high14 Ų1443.2 Ų43.210%0.09823%0.225CC..Hα-helixtrans-67.1-37179.7-167.60000112.5K238 S239 E244 E245 N248K238-S242 PolarHBondContact O-N 2.7Å; S239-S242 PolarHBondContact O-N 3.27Å; S242-E244 PolarHBondContact O-N 2.85Å; S242-E245 WeakPolarHBondContact O-CB 3.23Å; S242-E245 WeakPolarHBondContact O-CG 3.42Å; S242-E245 PolarHBondContact O-N 3.29Å; S242-E245 PolarHBondContact OG-OE1 2.76Å; S242-N248 VanDerWaalsContact O-CB 3.32Å; S242-N248 WeakPolarHBondContact O-CB 3.4Å; S242-N248 PolarHBondContact O-ND2 2.92Å; S242-N248 PolarHBondContact OG-ND2 3.32Å
243M97.1Very high97.1Very high7 Ų743.2 Ų43.23%0.03423%0.225CC..Hα-helixtrans-67.2-17.4176.3-74.4-67.4-65.800113.3S239 S240 D241 N248 W249 F252 N253 L256 I286 F333S239-M243 WeakPolarHBondContact O-CB 3.32Å; S239-M243 WeakPolarHBondContact O-CG 3.47Å; S239-M243 PolarHBondContact O-N 2.95Å; S240-M243 PolarHBondContact O-N 3.37Å; D241-M243 PolarHBondContact O-N 3.29Å; M243-N248 CarbonylContact O-C 3.55Å; M243-W249 WeakPolarHBondContact O-CA 3.37Å; M243-W249 PolarHBondContact O-N 2.99Å; M243-F252 HydrophobicContact CE-CB 3.5Å; M243-F252 VanDerWaalsContact CE-CB 3.5Å; M243-F252 HydrophobicContact SD-CB 4.34Å; M243-N253 HydrophobicContact CE-CB 4.08Å; M243-N253 VanDerWaalsContact O-CB 3.28Å; M243-N253 WeakPolarHBondContact O-CB 3.22Å; M243-N253 PolarHBondContact O-ND2 2.87Å; M243-L256 HydrophobicContact CE-CD1 4.03Å; M243-I286 HydrophobicContact CE-CD1 4.22Å; M243-F333 HydrophobicContact CE-CD1 3.87Å; M243-F333 HydrophobicContact CE-CE1 3.41Å; M243-F333 VanDerWaalsContact CE-CE1 3.41Å; M243-F333 HydrophobicContact CE-CE2 4.38Å; M243-F333 HydrophobicContact CE-CZ 3.71Å; M243-F333 HydrophobicContact CG-CD1 4.38Å; M243-F333 HydrophobicContact SD-CB 4.49Å; M243-F333 HydrophobicContact SD-CD1 3.62Å; M243-F333 HydrophobicContact SD-CD2 4Å; M243-F333 HydrophobicContact SD-CE1 3.73Å; M243-F333 HydrophobicContact SD-CE2 4.08Å; M243-F333 HydrophobicContact SD-CG 3.77Å; M243-F333 HydrophobicContact SD-CZ 3.96Å
244E97.3Very high97.1Very high57 Ų5746.8 Ų46.827%0.26624%0.238SC..THydrogen-bonded Turntrans-94.8-3.9176.5-72.2177.9168.100113.4S240 D241 S242 N253 T285 R287S240-E244 WeakPolarHBondContact O-CG 3.31Å; S240-E244 PolarHBondContact O-N 2.93Å; S240-E244 VanDerWaalsContact O-N 3.16Å; D241-E244 PolarHBondContact O-N 3.36Å; S242-E244 PolarHBondContact O-N 2.85Å; E244-N253 WeakPolarHBondContact CG-ND2 3.4Å; E244-T285 HydrophobicContact CG-CG2 4.1Å; E244-T285 VanDerWaalsContact OE1-CB 3.25Å; E244-T285 WeakPolarHBondContact OE1-CB 3.4Å; E244-T285 PolarHBondContact OE1-OG1 3.34Å; E244-R287 WeakPolarHBondContact OE1-CB 3.21Å; E244-R287 IonicContact OE1-NE 3.68Å; E244-R287 IonicContact OE2-CZ 2.68Å; E244-R287 IonicContact OE2-NE 3.61Å; E244-R287 PolarHBondContact OE2-NE 3.4Å; E244-R287 IonicContact OE2-NH1 3.95Å; E244-R287 IonicContact OE2-NH2 3.27Å; E244-R287 PolarHBondContact OE2-NH2 3.27Å
245E97.4Very high97Very high87 Ų8752.5 Ų52.541%0.40727%0.265SS..SBendtrans-55.5141.4166.8-69.2171.7-15700110.3R75 D241 S242 L247 N248 W249R75-E245 IonicContact NH2-OE2 3.22Å; R75-E245 PolarHBondContact NH2-OE2 3.16Å; D241-E245 PolarHBondContact O-N 3.18Å; S242-E245 WeakPolarHBondContact O-CB 3.23Å; S242-E245 WeakPolarHBondContact O-CG 3.42Å; S242-E245 PolarHBondContact O-N 3.29Å; S242-E245 PolarHBondContact OG-OE1 2.76Å; E245-L247 VanDerWaalsContact C-N 3.28Å; E245-L247 PolarHBondContact O-N 2.94Å; E245-N248 HydrophobicContact CB-CB 4.38Å; E245-N248 PolarHBondContact O-N 3.48Å; E245-N248 PolarHBondContact OE2-ND2 3.36Å; E245-W249 WeakPolarHBondContact O-CB 3.44Å; E245-W249 PolarHBondContact O-N 2.9Å
246P97Very high96.8Very high112 Ų11251.6 Ų51.673%0.72726%0.26SS*.Hα-helixtrans-51.2-41.5-167.7-30.334.7000115.2L250P246-L250 WeakPolarHBondContact O-CB 3.16Å; P246-L250 PolarHBondContact O-N 3.01Å; P246-L250 VanDerWaalsContact O-N 3.16Å
247L95.8Very high96.8Very high85 Ų8551.1 Ų51.145%0.44526%0.256SS..Hα-helixtrans-74.9-42.2179.7-172.561.5000112.3E245 W249 L250 L251E245-L247 VanDerWaalsContact C-N 3.28Å; E245-L247 PolarHBondContact O-N 2.94Å; L247-W249 VanDerWaalsContact C-N 3.3Å; L247-W249 PolarHBondContact O-N 3.35Å; L247-L250 PolarHBondContact O-N 3.32Å; L247-L251 HydrophobicContact CD1-CD1 3.79Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.48Å; L247-L251 HydrophobicContact CG-CD1 3.78Å; L247-L251 HydrophobicContact CG-CG 4.34Å; L247-L251 WeakPolarHBondContact O-CB 3.36Å; L247-L251 WeakPolarHBondContact O-CG 3.41Å; L247-L251 PolarHBondContact O-N 2.92Å
248N96.8Very high96.8Very high0 Ų051.7 Ų51.70%026%0.259CS..Hα-helixtrans-67.4-35.7176.8-70.6-18000111.2R75 S242 M243 E245 F252 N253 P332R75-N248 PolarHBondContact NE-OD1 3.26Å; R75-N248 PolarHBondContact NH2-OD1 2.97Å; S242-N248 VanDerWaalsContact O-CB 3.32Å; S242-N248 WeakPolarHBondContact O-CB 3.4Å; S242-N248 PolarHBondContact O-ND2 2.92Å; S242-N248 PolarHBondContact OG-ND2 3.32Å; M243-N248 CarbonylContact O-C 3.55Å; E245-N248 HydrophobicContact CB-CB 4.38Å; E245-N248 PolarHBondContact O-N 3.48Å; E245-N248 PolarHBondContact OE2-ND2 3.36Å; N248-F252 HydrophobicContact CB-CD2 4.41Å; N248-F252 WeakPolarHBondContact O-CA 3.41Å; N248-F252 WeakPolarHBondContact O-CB 3.41Å; N248-F252 PolarHBondContact O-N 3.24Å; N248-N253 PolarHBondContact O-N 2.84Å; N248-N253 VanDerWaalsContact O-N 3.12Å; N248-P332 WeakPolarHBondContact OD1-CB 3.17Å
249W97.5Very high96.7Very high82 Ų8247.7 Ų47.731%0.31125%0.247SC..Iπ-helixtrans-60.8-50.5175.7176.982.8000111.2M243 E245 L247 N253 K254 R284M243-W249 WeakPolarHBondContact O-CA 3.37Å; M243-W249 PolarHBondContact O-N 2.99Å; E245-W249 WeakPolarHBondContact O-CB 3.44Å; E245-W249 PolarHBondContact O-N 2.9Å; L247-W249 VanDerWaalsContact C-N 3.3Å; L247-W249 PolarHBondContact O-N 3.35Å; W249-N253 HydrophobicContact CB-CB 4.41Å; W249-N253 HydrophobicContact CG-CB 4.44Å; W249-N253 PolarHBondContact O-N 3.37Å; W249-K254 HydrophobicContact CH2-CD 4.03Å; W249-K254 HydrophobicContact CZ2-CB 4.43Å; W249-K254 HydrophobicContact CZ2-CD 4.2Å; W249-K254 HydrophobicContact CZ2-CG 4.44Å; W249-K254 HydrophobicContact CZ3-CD 4.49Å; W249-K254 WeakPolarHBondContact O-CB 3.32Å; W249-K254 PolarHBondContact O-N 3.4Å; W249-R284 PolarHBondContact NE1-O 3.2Å
250L96.8Very high96.6Very high91 Ų9147.8 Ų47.848%0.47625%0.246SC..Iπ-helixtrans-64.4-46.7-179.8179.263.4000112.1P246 L247 H255P246-L250 WeakPolarHBondContact O-CB 3.16Å; P246-L250 PolarHBondContact O-N 3.01Å; P246-L250 VanDerWaalsContact O-N 3.16Å; L247-L250 PolarHBondContact O-N 3.32Å; L250-H255 PolarHBondContact O-CE1 3.04Å; L250-H255 PolarHBondContact O-ND1 3.36Å
251L95.6Very high96.5Very high47 Ų4747.9 Ų47.925%0.24625%0.247CC..Iπ-helixtrans-75.7-39-174.1-65.3177.9000112.4R75 L79 L247 H255R75-L251 HydrophobicContact CB-CD1 4.26Å; L79-L251 HydrophobicContact CD1-CD1 4.15Å; L79-L251 HydrophobicContact CD1-CD2 3.98Å; L79-L251 HydrophobicContact CD1-CG 4.45Å; L247-L251 HydrophobicContact CD1-CD1 3.79Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.48Å; L247-L251 HydrophobicContact CG-CD1 3.78Å; L247-L251 HydrophobicContact CG-CG 4.34Å; L247-L251 WeakPolarHBondContact O-CB 3.36Å; L247-L251 WeakPolarHBondContact O-CG 3.41Å; L247-L251 PolarHBondContact O-N 2.92Å; L251-H255 PolarHBondContact O-ND1 2.88Å
252F95.9Very high96.4Very high14 Ų1451.4 Ų51.46%0.06126%0.262CS..Iπ-helixtrans-125.2-57.6-167.4-50.4-63.4000113.5R75 T78 L79 M243 N248 K254 H255 L256 P332 F333R75-F252 HydrophobicContact CB-CE2 4.22Å; R75-F252 HydrophobicContact CB-CZ 4.1Å; R75-F252 HydrophobicContact CG-CE2 4.08Å; R75-F252 HydrophobicContact CG-CZ 4.44Å; T78-F252 HydrophobicContact CG2-CD1 4.26Å; T78-F252 HydrophobicContact CG2-CE1 3.6Å; T78-F252 HydrophobicContact CG2-CZ 4.1Å; L79-F252 HydrophobicContact CD2-CD1 4.22Å; L79-F252 HydrophobicContact CD2-CE1 3.58Å; L79-F252 HydrophobicContact CD2-CZ 4.35Å; L79-F252 HydrophobicContact CG-CE1 3.73Å; L79-F252 HydrophobicContact CG-CZ 4.09Å; M243-F252 HydrophobicContact CE-CB 3.5Å; M243-F252 VanDerWaalsContact CE-CB 3.5Å; M243-F252 HydrophobicContact SD-CB 4.34Å; N248-F252 HydrophobicContact CB-CD2 4.41Å; N248-F252 WeakPolarHBondContact O-CA 3.41Å; N248-F252 WeakPolarHBondContact O-CB 3.41Å; N248-F252 PolarHBondContact O-N 3.24Å; F252-K254 PolarHBondContact O-N 3.31Å; F252-H255 PolarHBondContact O-N 3.39Å; F252-H255 VanDerWaalsContact O-N 3.12Å; F252-L256 WeakPolarHBondContact O-CG 3.41Å; F252-L256 PolarHBondContact O-N 2.94Å; F252-P332 HydrophobicContact CD2-CG 4.26Å; F252-P332 HydrophobicContact CE2-CB 4.15Å; F252-P332 HydrophobicContact CE2-CG 3.7Å; F252-P332 HydrophobicContact CZ-CG 4.21Å; F252-F333 HydrophobicContact CB-CE2 4.2Å; F252-F333 HydrophobicContact CB-CZ 3.76Å; F252-F333 HydrophobicContact CD1-CE2 4.11Å; F252-F333 HydrophobicContact CD1-CZ 4.18Å; F252-F333 HydrophobicContact CD2-CE2 4.15Å; F252-F333 AromaticContact CG-CE2 3.89Å; F252-F333 HydrophobicContact CG-CE2 3.89Å; F252-F333 AromaticContact CG-CZ 3.92Å; F252-F333 HydrophobicContact CG-CZ 3.92Å
253N97.2Very high96.2Very high0 Ų053.8 Ų53.80%027%0.27CS..Iπ-helixtrans-58.7-47.1-168.3-163.2-33.6000111.9M243 E244 N248 W249 H255 L256 T257 T285 I286M243-N253 HydrophobicContact CE-CB 4.08Å; M243-N253 VanDerWaalsContact O-CB 3.28Å; M243-N253 WeakPolarHBondContact O-CB 3.22Å; M243-N253 PolarHBondContact O-ND2 2.87Å; E244-N253 WeakPolarHBondContact CG-ND2 3.4Å; N248-N253 PolarHBondContact O-N 2.84Å; N248-N253 VanDerWaalsContact O-N 3.12Å; W249-N253 HydrophobicContact CB-CB 4.41Å; W249-N253 HydrophobicContact CG-CB 4.44Å; W249-N253 PolarHBondContact O-N 3.37Å; N253-H255 VanDerWaalsContact C-N 3.34Å; N253-H255 PolarHBondContact O-N 2.91Å; N253-L256 PolarHBondContact O-N 3.33Å; N253-T257 VanDerWaalsContact O-CB 3.32Å; N253-T257 WeakPolarHBondContact O-CB 3.39Å; N253-T257 PolarHBondContact O-N 2.87Å; N253-T257 PolarHBondContact O-OG1 2.96Å; N253-T257 PolarHBondContact OD1-OG1 2.88Å; N253-T257 VanDerWaalsContact OD1-OG1 3.11Å; N253-T285 VanDerWaalsContact OD1-CA 3.24Å; N253-T285 WeakPolarHBondContact OD1-CA 2.99Å; N253-I286 WeakPolarHBondContact OD1-CG1 3.43Å; N253-I286 PolarHBondContact OD1-N 2.83Å
254K96.4Very high96.1Very high87 Ų8753.7 Ų53.738%0.37827%0.27SS..Hα-helixtrans-58.3-44.8178.2-176.3-179.6179.2-1780112.1W249 F252 N258W249-K254 HydrophobicContact CH2-CD 4.03Å; W249-K254 HydrophobicContact CZ2-CB 4.43Å; W249-K254 HydrophobicContact CZ2-CD 4.2Å; W249-K254 HydrophobicContact CZ2-CG 4.44Å; W249-K254 HydrophobicContact CZ3-CD 4.49Å; W249-K254 WeakPolarHBondContact O-CB 3.32Å; W249-K254 PolarHBondContact O-N 3.4Å; F252-K254 PolarHBondContact O-N 3.31Å; K254-N258 WeakPolarHBondContact O-CB 3.44Å; K254-N258 PolarHBondContact O-N 2.95Å; K254-N258 PolarHBondContact O-ND2 2.81Å
255H95.3Very high96Very high120 Ų12054.3 Ų54.356%0.55628%0.278SS*.Hα-helixtrans-66.9-43.6-179.9-63.6101.3000111.9L250 L251 F252 N253 N258 G259L250-H255 PolarHBondContact O-CE1 3.04Å; L250-H255 PolarHBondContact O-ND1 3.36Å; L251-H255 PolarHBondContact O-ND1 2.88Å; F252-H255 PolarHBondContact O-N 3.39Å; F252-H255 VanDerWaalsContact O-N 3.12Å; N253-H255 VanDerWaalsContact C-N 3.34Å; N253-H255 PolarHBondContact O-N 2.91Å; H255-N258 PolarHBondContact O-N 3.04Å; H255-G259 PolarHBondContact O-N 3.03Å
256L95.6Very high95.8Very high36 Ų3656.8 Ų56.819%0.18828%0.283CS..Hα-helixtrans-66.2-43.3177.6-71167.5000111.9M243 F252 N253 N258 G259 L260 I286 F333M243-L256 HydrophobicContact CE-CD1 4.03Å; F252-L256 WeakPolarHBondContact O-CG 3.41Å; F252-L256 PolarHBondContact O-N 2.94Å; N253-L256 PolarHBondContact O-N 3.33Å; L256-N258 VanDerWaalsContact C-N 3.35Å; L256-N258 PolarHBondContact O-N 3.15Å; L256-G259 PolarHBondContact O-N 3.23Å; L256-G259 VanDerWaalsContact O-N 3.14Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 2.66Å; L256-I286 HydrophobicContact CB-CD1 3.98Å; L256-I286 HydrophobicContact CB-CG1 4.33Å; L256-I286 HydrophobicContact CD1-CD1 4.03Å; L256-F333 HydrophobicContact CD1-CE1 3.46Å; L256-F333 VanDerWaalsContact CD1-CE1 3.46Å; L256-F333 HydrophobicContact CD1-CZ 3.82Å
257T97.4Very high95.7Very high0 Ų051.9 Ų51.90%025%0.251CS..Hα-helixtrans-59.6-46.5175.5-54.90000110.8N253 G259 L260 C261 A283 T285 I286 F289N253-T257 VanDerWaalsContact O-CB 3.32Å; N253-T257 WeakPolarHBondContact O-CB 3.39Å; N253-T257 PolarHBondContact O-N 2.87Å; N253-T257 PolarHBondContact O-OG1 2.96Å; N253-T257 PolarHBondContact OD1-OG1 2.88Å; N253-T257 VanDerWaalsContact OD1-OG1 3.11Å; T257-G259 VanDerWaalsContact C-N 3.29Å; T257-G259 PolarHBondContact O-N 3.5Å; T257-L260 PolarHBondContact O-N 2.95Å; T257-C261 PolarHBondContact O-N 3.12Å; T257-C261 PolarHBondContact O-SG 2.7Å; T257-C261 VanDerWaalsContact O-SG 3.4Å; T257-A283 HydrophobicContact CG2-CB 3.97Å; T257-T285 WeakPolarHBondContact OG1-CA 3.5Å; T257-I286 PolarHBondContact OG1-N 3.43Å; T257-F289 HydrophobicContact CG2-CB 4.48Å
258N96.1Very high95.7Very high64 Ų6452.5 Ų52.534%0.34225%0.247SC..Hα-helixtrans-59.9-41175.4-73.3-17.8000111.7K254 H255 L256 C261 Q262K254-N258 WeakPolarHBondContact O-CB 3.44Å; K254-N258 PolarHBondContact O-N 2.95Å; K254-N258 PolarHBondContact O-ND2 2.81Å; H255-N258 PolarHBondContact O-N 3.04Å; L256-N258 VanDerWaalsContact C-N 3.35Å; L256-N258 PolarHBondContact O-N 3.15Å; N258-C261 PolarHBondContact O-N 2.83Å; N258-Q262 WeakPolarHBondContact O-CB 3.49Å; N258-Q262 VanDerWaalsContact O-CG 3.26Å; N258-Q262 WeakPolarHBondContact O-CG 3.42Å; N258-Q262 PolarHBondContact O-N 3.27Å
259G94.9Very high95.6Very high18 Ų1860.8 Ų60.819%0.18628%0.283CS..Hα-helixtrans-60.2-44.9174.600000112.6H255 L256 T257 Q262 K263H255-G259 PolarHBondContact O-N 3.03Å; L256-G259 PolarHBondContact O-N 3.23Å; L256-G259 VanDerWaalsContact O-N 3.14Å; T257-G259 VanDerWaalsContact C-N 3.29Å; T257-G259 PolarHBondContact O-N 3.5Å; G259-Q262 WeakPolarHBondContact O-CB 3.41Å; G259-Q262 PolarHBondContact O-N 3.33Å; G259-K263 WeakPolarHBondContact O-CG 3.33Å; G259-K263 PolarHBondContact O-N 2.91Å
260L95.9Very high95.5Very high11 Ų1158.4 Ų58.46%0.05828%0.276CS..Hα-helixtrans-62.3-46.7175.6-69.9169.2000111.8L133 T134 L256 T257 Q262 K263 V264 I286 F289L133-L260 HydrophobicContact CD1-CD2 3.99Å; L133-L260 HydrophobicContact CD2-CD1 4.33Å; L133-L260 HydrophobicContact CG-CD2 4.43Å; T134-L260 HydrophobicContact CG2-CD2 3.83Å; T134-L260 HydrophobicContact CG2-CG 4.18Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 2.66Å; T257-L260 PolarHBondContact O-N 2.95Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 3.41Å; L260-K263 WeakPolarHBondContact O-CB 3.5Å; L260-K263 PolarHBondContact O-N 3.35Å; L260-K263 VanDerWaalsContact O-N 3.1Å; L260-V264 PolarHBondContact O-N 2.93Å; L260-I286 HydrophobicContact CD1-CG1 4.5Å; L260-F289 HydrophobicContact CB-CD1 4.19Å; L260-F289 HydrophobicContact CB-CD2 3.86Å; L260-F289 HydrophobicContact CB-CE1 4.04Å; L260-F289 HydrophobicContact CB-CE2 3.69Å; L260-F289 HydrophobicContact CB-CG 4.11Å; L260-F289 HydrophobicContact CB-CZ 3.8Å; L260-F289 HydrophobicContact CD1-CD1 3.78Å; L260-F289 HydrophobicContact CD1-CE1 4.11Å; L260-F289 HydrophobicContact CD1-CG 4.1Å; L260-F289 HydrophobicContact CD2-CE1 4.24Å; L260-F289 HydrophobicContact CD2-CZ 4.47Å; L260-F289 HydrophobicContact CG-CD1 4.46Å; L260-F289 HydrophobicContact CG-CE1 4.37Å
261C96.4Very high95.4Very high11 Ų1154.1 Ų54.17%0.07425%0.254CS..Hα-helixtrans-58.3-42.5174.3-71.30000111.8T257 N258 K263 V264 T265 L281T257-C261 PolarHBondContact O-N 3.12Å; T257-C261 PolarHBondContact O-SG 2.7Å; T257-C261 VanDerWaalsContact O-SG 3.4Å; N258-C261 PolarHBondContact O-N 2.83Å; C261-K263 VanDerWaalsContact C-N 3.3Å; C261-K263 PolarHBondContact O-N 2.76Å; C261-V264 PolarHBondContact O-N 3.07Å; C261-T265 PolarHBondContact O-N 3.01Å; C261-T265 PolarHBondContact O-OG1 3.36Å; C261-T265 VanDerWaalsContact O-OG1 3.09Å; C261-L281 HydrophobicContact CB-CD2 3.72Å; C261-L281 WeakPolarHBondContact O-CD2 3.2Å
262Q94.6Very high95.4Very high137 Ų13756.8 Ų56.864%0.6427%0.265SS*.Hα-helixtrans-61.4-37175.6-74.7171.48.600112.5N258 G259 L260 T265 R266N258-Q262 WeakPolarHBondContact O-CB 3.49Å; N258-Q262 VanDerWaalsContact O-CG 3.26Å; N258-Q262 WeakPolarHBondContact O-CG 3.42Å; N258-Q262 PolarHBondContact O-N 3.27Å; G259-Q262 WeakPolarHBondContact O-CB 3.41Å; G259-Q262 PolarHBondContact O-N 3.33Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 3.41Å; Q262-T265 PolarHBondContact O-N 2.95Å; Q262-R266 PolarHBondContact O-N 3.39Å
263K92.9Very high95.3Very high64 Ų6463.8 Ų63.828%0.27830%0.295SS..Hα-helixtrans-66.4-41174.4-64.3-65.1-177.2174.40111.5G259 L260 C261 R266 H267G259-K263 WeakPolarHBondContact O-CG 3.33Å; G259-K263 PolarHBondContact O-N 2.91Å; L260-K263 WeakPolarHBondContact O-CB 3.5Å; L260-K263 PolarHBondContact O-N 3.35Å; L260-K263 VanDerWaalsContact O-N 3.1Å; C261-K263 VanDerWaalsContact C-N 3.3Å; C261-K263 PolarHBondContact O-N 2.76Å; K263-R266 PolarHBondContact O-N 2.98Å; K263-H267 PolarHBondContact O-CD2 2.87Å; K263-H267 PolarHBondContact O-N 2.93Å
264V94.6Very high95.2Very high4 Ų467.4 Ų67.42%0.02432%0.317CS..Hα-helixtrans-61.9-45.5173.3174.10000110.9L260 C261 R266 H267 R268 L271 V277 V280 L281 F289 F293L260-V264 PolarHBondContact O-N 2.93Å; C261-V264 PolarHBondContact O-N 3.07Å; V264-R266 VanDerWaalsContact C-N 3.33Å; V264-R266 PolarHBondContact O-N 3.34Å; V264-H267 CarbonylContact O-C 3.56Å; V264-H267 PolarHBondContact O-N 3.17Å; V264-H267 VanDerWaalsContact O-N 3.15Å; V264-R268 PolarHBondContact O-N 3.18Å; V264-L271 HydrophobicContact CB-CD1 4.23Å; V264-L271 HydrophobicContact CG1-CD1 4Å; V264-L271 HydrophobicContact CG2-CD1 4.24Å; V264-V277 HydrophobicContact CG1-CG1 4Å; V264-V277 HydrophobicContact CG1-CG2 4.27Å; V264-V280 HydrophobicContact CG1-CG1 4.22Å; V264-V280 HydrophobicContact CG2-CG1 4.26Å; V264-L281 HydrophobicContact CB-CD2 4.42Å; V264-L281 HydrophobicContact CG1-CD2 4.47Å; V264-F289 HydrophobicContact CG2-CE2 3.6Å; V264-F289 HydrophobicContact CG2-CZ 3.72Å; V264-F293 HydrophobicContact CG1-CE2 4.36Å; V264-F293 HydrophobicContact CG2-CD2 4Å; V264-F293 HydrophobicContact CG2-CE1 4.45Å; V264-F293 HydrophobicContact CG2-CE2 3.83Å; V264-F293 HydrophobicContact CG2-CG 4.39Å; V264-F293 HydrophobicContact CG2-CZ 4.07Å
265T95.2Very high95.1Very high71 Ų7164.1 Ų64.144%0.43630%0.304SS..Hα-helixtrans-58.3-43.7176.4-59.10000112.1C261 Q262 H267 R268 L281C261-T265 PolarHBondContact O-N 3.01Å; C261-T265 PolarHBondContact O-OG1 3.36Å; C261-T265 VanDerWaalsContact O-OG1 3.09Å; Q262-T265 PolarHBondContact O-N 2.95Å; T265-H267 PolarHBondContact O-N 3.09Å; T265-R268 WeakPolarHBondContact O-CB 3.38Å; T265-R268 PolarHBondContact O-N 3.38Å; T265-L281 VanDerWaalsContact OG1-CD2 3.22Å; T265-L281 WeakPolarHBondContact OG1-CD2 3.44Å
266R94.2Very high95.2Very high138 Ų13863.1 Ų63.152%0.52130%0.303SS..Hα-helixtrans-56-38.8178-179.7-177.5176.2102.6-3111.8G166 Q262 K263 V264G166-R266 PolarHBondContact O-NH2 3.07Å; Q262-R266 PolarHBondContact O-N 3.39Å; K263-R266 PolarHBondContact O-N 2.98Å; V264-R266 VanDerWaalsContact C-N 3.33Å; V264-R266 PolarHBondContact O-N 3.34Å
267H94.9Very high95.2Very high10 Ų1061.6 Ų61.65%0.04630%0.295CS..THydrogen-bonded Turntrans-105.723.1-176.2-55.1-65.5000113.3G163 E167 L169 K263 V264 T265 K269 I270 L271G163-H267 WeakPolarHBondContact CA-NE2 3.4Å; G163-H267 PolarHBondContact O-NE2 3.41Å; E167-H267 PolarHBondContact O-CE1 2.85Å; L169-H267 HydrophobicContact CB-CB 4.35Å; L169-H267 HydrophobicContact CD1-CB 3.72Å; L169-H267 HydrophobicContact CG-CB 4.2Å; L169-H267 PolarHBondContact N-CE1 3.31Å; L169-H267 PolarHBondContact N-ND1 3.45Å; K263-H267 PolarHBondContact O-CD2 2.87Å; K263-H267 PolarHBondContact O-N 2.93Å; V264-H267 CarbonylContact O-C 3.56Å; V264-H267 PolarHBondContact O-N 3.17Å; V264-H267 VanDerWaalsContact O-N 3.15Å; T265-H267 PolarHBondContact O-N 3.09Å; H267-K269 VanDerWaalsContact C-N 3.31Å; H267-K269 PolarHBondContact O-N 3.01Å; H267-I270 PolarHBondContact O-N 3.1Å; H267-L271 HydrophobicContact CB-CD1 3.9Å; H267-L271 HydrophobicContact CB-CG 4.21Å; H267-L271 PolarHBondContact O-N 2.89Å; H267-L271 VanDerWaalsContact O-N 3.11Å
268R95.4Very high95.2Very high97 Ų9765.5 Ų65.537%0.36632%0.316SS..Hα-helixtrans-48.3-48.5-174.4177.6175.6-172.5149.115.8113.2V264 T265 I270 L271 E272 V277 D278V264-R268 PolarHBondContact O-N 3.18Å; T265-R268 WeakPolarHBondContact O-CB 3.38Å; T265-R268 PolarHBondContact O-N 3.38Å; R268-I270 PolarHBondContact O-N 3.06Å; R268-L271 PolarHBondContact O-N 3.39Å; R268-L271 VanDerWaalsContact O-N 3.16Å; R268-E272 IonicContact NE-OE2 2.68Å; R268-E272 VanDerWaalsContact O-CB 3.31Å; R268-E272 WeakPolarHBondContact O-CB 3.24Å; R268-E272 VanDerWaalsContact O-CG 3.27Å; R268-E272 WeakPolarHBondContact O-CG 3.22Å; R268-E272 PolarHBondContact O-N 3.3Å; R268-V277 HydrophobicContact CG-CG1 4.15Å; R268-V277 HydrophobicContact CG-CG2 4.43Å; R268-D278 IonicContact CZ-OD1 3.57Å; R268-D278 IonicContact NH1-OD1 3.45Å; R268-D278 VanDerWaalsContact NH2-CG 3.32Å; R268-D278 IonicContact NH2-OD1 2.77Å; R268-D278 PolarHBondContact NH2-OD1 3.2Å; R268-D278 IonicContact NH2-OD2 2.91Å; R268-D278 PolarHBondContact NH2-OD2 3.37Å
269K94.7Very high95.3Very high175 Ų17567.6 Ų67.676%0.76132%0.32SS*.Hα-helixtrans-54.3-26.3-176.9-66.2-177.8-180175.90114.1H267 K273H267-K269 VanDerWaalsContact C-N 3.31Å; H267-K269 PolarHBondContact O-N 3.01Å; K269-K273 WeakPolarHBondContact O-CE 3.42Å
270I94.9Very high95.4Very high31 Ų3166.8 Ų66.816%0.15931%0.312CS..Hα-helixtrans-99.7-41-177.8-64.3175.3000110.1L169 P172 H267 R268 K273L169-I270 VanDerWaalsContact C-CD1 3.41Å; L169-I270 HydrophobicContact CB-CD1 4.1Å; L169-I270 WeakPolarHBondContact O-CD1 3.49Å; P172-I270 HydrophobicContact CB-CG2 4.5Å; P172-I270 HydrophobicContact CG-CG2 4.35Å; H267-I270 PolarHBondContact O-N 3.1Å; R268-I270 PolarHBondContact O-N 3.06Å; I270-K273 WeakPolarHBondContact O-CB 3.22Å
271L95.6Very high95.5Very high2 Ų268.5 Ų68.51%0.0132%0.32CS..Hα-helixtrans-76.1-29.1-176.2-64175.4000113.1L169 T174 V264 H267 R268 K273 V274 V275 V277 F293L169-L271 HydrophobicContact CD1-CD1 4.38Å; L169-L271 HydrophobicContact CD1-CD2 4.1Å; L169-L271 HydrophobicContact CD1-CG 4.34Å; T174-L271 HydrophobicContact CG2-CD2 4.1Å; V264-L271 HydrophobicContact CB-CD1 4.23Å; V264-L271 HydrophobicContact CG1-CD1 4Å; V264-L271 HydrophobicContact CG2-CD1 4.24Å; H267-L271 HydrophobicContact CB-CD1 3.9Å; H267-L271 HydrophobicContact CB-CG 4.21Å; H267-L271 PolarHBondContact O-N 2.89Å; H267-L271 VanDerWaalsContact O-N 3.11Å; R268-L271 PolarHBondContact O-N 3.39Å; R268-L271 VanDerWaalsContact O-N 3.16Å; L271-K273 PolarHBondContact O-N 3.4Å; L271-V274 VanDerWaalsContact O-CG2 3.3Å; L271-V274 WeakPolarHBondContact O-CG2 3.49Å; L271-V274 PolarHBondContact O-N 3.21Å; L271-V275 HydrophobicContact CB-CG2 4.42Å; L271-V275 VanDerWaalsContact O-CG2 3.27Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 3.2Å; L271-V277 HydrophobicContact CB-CG2 4.31Å; L271-F293 HydrophobicContact CB-CE2 4.48Å; L271-F293 HydrophobicContact CD1-CE2 3.96Å; L271-F293 HydrophobicContact CD1-CZ 3.95Å; L271-F293 HydrophobicContact CD2-CE2 4.1Å; L271-F293 HydrophobicContact CD2-CZ 3.88Å; L271-F293 HydrophobicContact CG-CE2 4.41Å; L271-F293 HydrophobicContact CG-CZ 4.47Å
272E95.2Very high95.6Very high102 Ų10273.9 Ų73.948%0.47734%0.343SS..THydrogen-bonded Turntrans-62.9-15.2176.973.1-169.3173.800113.4R268 V274 V275 V277R268-E272 IonicContact NE-OE2 2.68Å; R268-E272 VanDerWaalsContact O-CB 3.31Å; R268-E272 WeakPolarHBondContact O-CB 3.24Å; R268-E272 VanDerWaalsContact O-CG 3.27Å; R268-E272 WeakPolarHBondContact O-CG 3.22Å; R268-E272 PolarHBondContact O-N 3.3Å; E272-V274 VanDerWaalsContact C-N 3.29Å; E272-V275 WeakPolarHBondContact CA-O 3.45Å; E272-V277 HydrophobicContact CB-CG2 3.94Å
273K93.8Very high95.8Very high162 Ų16267.4 Ų67.470%0.70431%0.312SS*.THydrogen-bonded Turntrans-73.7-20.1174.8-58.7179.2-178.3178.10113.2K269 I270 L271K269-K273 WeakPolarHBondContact O-CE 3.42Å; I270-K273 WeakPolarHBondContact O-CB 3.22Å; L271-K273 PolarHBondContact O-N 3.4Å
274V94.8Very high96Very high76 Ų7670.9 Ų70.946%0.46132%0.324SS..THydrogen-bonded Turntrans-124.6-18.9-173.4-61.80000113.7P172 L271 E272 V297P172-V274 HydrophobicContact CB-CB 4.31Å; P172-V274 HydrophobicContact CB-CG1 3.66Å; P172-V274 HydrophobicContact CB-CG2 3.63Å; P172-V274 HydrophobicContact CG-CG1 3.7Å; L271-V274 VanDerWaalsContact O-CG2 3.3Å; L271-V274 WeakPolarHBondContact O-CG2 3.49Å; L271-V274 PolarHBondContact O-N 3.21Å; E272-V274 VanDerWaalsContact C-N 3.29Å; V274-V297 HydrophobicContact CG2-CG2 4.37Å
275V95.1Very high96.2Very high17 Ų1771.3 Ų71.310%0.10333%0.326CS..SBendtrans-141.9153.9179.7-680000111.9L271 E272 V277 F293 H296 V297L271-V275 HydrophobicContact CB-CG2 4.42Å; L271-V275 VanDerWaalsContact O-CG2 3.27Å; L271-V275 WeakPolarHBondContact O-CG2 3.48Å; L271-V275 PolarHBondContact O-N 3.2Å; E272-V275 WeakPolarHBondContact CA-O 3.45Å; V275-V277 HydrophobicContact CG2-CG2 4.28Å; V275-V277 PolarHBondContact O-N 2.89Å; V275-F293 HydrophobicContact CG1-CD2 4.42Å; V275-F293 HydrophobicContact CG2-CD2 3.89Å; V275-F293 HydrophobicContact CG2-CE2 3.87Å; V275-H296 HydrophobicContact CG1-CB 4.24Å; V275-V297 HydrophobicContact CG1-CG2 3.65Å
276D96.5Very high96.3Very high99 Ų9969 Ų6953%0.52931%0.311SS..  trans-71.896.1165.4-178.9-15.3000109.5D278 Y279 V280D276-D278 VanDerWaalsContact C-N 3.32Å; D276-D278 PolarHBondContact O-N 3.45Å; D276-D278 PolarHBondContact OD1-N 3.4Å; D276-Y279 VanDerWaalsContact CG-CB 3.49Å; D276-Y279 PolarHBondContact O-N 2.96Å; D276-Y279 PolarHBondContact OD1-N 2.9Å; D276-V280 WeakPolarHBondContact O-CG2 3.27Å; D276-V280 PolarHBondContact O-N 3.07Å
277V97Very high96.5Very high4 Ų465.5 Ų65.52%0.02430%0.298CS..Hα-helixtrans-60.2-41.2-179.11710000111.4V264 R268 L271 E272 V275 Y279 V280 L281V264-V277 HydrophobicContact CG1-CG1 4Å; V264-V277 HydrophobicContact CG1-CG2 4.27Å; R268-V277 HydrophobicContact CG-CG1 4.15Å; R268-V277 HydrophobicContact CG-CG2 4.43Å; L271-V277 HydrophobicContact CB-CG2 4.31Å; E272-V277 HydrophobicContact CB-CG2 3.94Å; V275-V277 HydrophobicContact CG2-CG2 4.28Å; V275-V277 PolarHBondContact O-N 2.89Å; V277-Y279 VanDerWaalsContact C-N 3.26Å; V277-Y279 PolarHBondContact O-N 3.45Å; V277-V280 PolarHBondContact O-N 3.41Å; V277-L281 HydrophobicContact CG1-CD1 3.85Å; V277-L281 HydrophobicContact CG1-CG 4.05Å; V277-L281 VanDerWaalsContact O-CG 3.24Å; V277-L281 WeakPolarHBondContact O-CG 3.42Å; V277-L281 PolarHBondContact O-N 2.9Å
278D97.6Very high96.6Very high82 Ų8267.6 Ų67.644%0.43931%0.308SS..Hα-helixtrans-68.1-30-176.8-65.8-45.9000111.5R268 D276 K282R268-D278 IonicContact CZ-OD1 3.57Å; R268-D278 IonicContact NH1-OD1 3.45Å; R268-D278 VanDerWaalsContact NH2-CG 3.32Å; R268-D278 IonicContact NH2-OD1 2.77Å; R268-D278 PolarHBondContact NH2-OD1 3.2Å; R268-D278 IonicContact NH2-OD2 2.91Å; R268-D278 PolarHBondContact NH2-OD2 3.37Å; D276-D278 VanDerWaalsContact C-N 3.32Å; D276-D278 PolarHBondContact O-N 3.45Å; D276-D278 PolarHBondContact OD1-N 3.4Å; D278-K282 WeakPolarHBondContact O-CG 3.38Å
279Y97.6Very high96.8Very high109 Ų10963.4 Ų63.443%0.42729%0.292SS..Hα-helixtrans-71.3-42.4170.4-178.2-126000112.9D276 V277 L281 K282 R292D276-Y279 VanDerWaalsContact CG-CB 3.49Å; D276-Y279 PolarHBondContact O-N 2.96Å; D276-Y279 PolarHBondContact OD1-N 2.9Å; V277-Y279 VanDerWaalsContact C-N 3.26Å; V277-Y279 PolarHBondContact O-N 3.45Å; Y279-L281 VanDerWaalsContact C-N 3.34Å; Y279-L281 PolarHBondContact O-N 3.23Å; Y279-K282 WeakPolarHBondContact O-CB 3.46Å; Y279-K282 PolarHBondContact O-N 2.96Å; Y279-R292 HydrophobicContact CD1-CB 4.21Å; Y279-R292 HydrophobicContact CD1-CG 3.98Å; Y279-R292 HydrophobicContact CE1-CB 4.09Å; Y279-R292 HydrophobicContact CE1-CG 3.44Å; Y279-R292 VanDerWaalsContact CE1-CG 3.44Å; Y279-R292 WeakPolarHBondContact O-CD 3.15Å; Y279-R292 PolarHBondContact O-NH1 2.91Å
280V97.6Very high96.9Very high1 Ų155.7 Ų55.71%0.00626%0.259CS..Hα-helixtrans-59.5-44.6176170.90000111.2V264 D276 V277 K282 A283 F289 R292 F293V264-V280 HydrophobicContact CG1-CG1 4.22Å; V264-V280 HydrophobicContact CG2-CG1 4.26Å; D276-V280 WeakPolarHBondContact O-CG2 3.27Å; D276-V280 PolarHBondContact O-N 3.07Å; V277-V280 PolarHBondContact O-N 3.41Å; V280-K282 PolarHBondContact O-N 3.35Å; V280-A283 VanDerWaalsContact O-CB 3.27Å; V280-A283 WeakPolarHBondContact O-CB 3.45Å; V280-A283 PolarHBondContact O-N 3.21Å; V280-F289 HydrophobicContact CG1-CD2 4.02Å; V280-F289 HydrophobicContact CG1-CE2 3.82Å; V280-R292 HydrophobicContact CG2-CB 4.07Å; V280-R292 WeakPolarHBondContact CG2-O 3.46Å; V280-F293 HydrophobicContact CG1-CB 3.85Å; V280-F293 HydrophobicContact CG1-CD2 4.06Å; V280-F293 HydrophobicContact CG1-CG 4.27Å; V280-F293 HydrophobicContact CG2-CB 4Å; V280-F293 HydrophobicContact CG2-CD2 4.1Å
281L97.9Very high97Very high46 Ų4659.1 Ų59.124%0.24128%0.275CS..THydrogen-bonded Turntrans-65.1-13.2-178.9-65.5179.9000114C261 V264 T265 V277 Y279 A283C261-L281 HydrophobicContact CB-CD2 3.72Å; C261-L281 WeakPolarHBondContact O-CD2 3.2Å; V264-L281 HydrophobicContact CB-CD2 4.42Å; V264-L281 HydrophobicContact CG1-CD2 4.47Å; T265-L281 VanDerWaalsContact OG1-CD2 3.22Å; T265-L281 WeakPolarHBondContact OG1-CD2 3.44Å; V277-L281 HydrophobicContact CG1-CD1 3.85Å; V277-L281 HydrophobicContact CG1-CG 4.05Å; V277-L281 VanDerWaalsContact O-CG 3.24Å; V277-L281 WeakPolarHBondContact O-CG 3.42Å; V277-L281 PolarHBondContact O-N 2.9Å; Y279-L281 VanDerWaalsContact C-N 3.34Å; Y279-L281 PolarHBondContact O-N 3.23Å; L281-A283 PolarHBondContact O-N 3.48Å
282K97.9Very high97.1Very high125 Ų12560.7 Ų60.754%0.54328%0.281SS..THydrogen-bonded Turntrans-78.3-4.6172.1-66.6169.7-171.5172.20113.1D278 Y279 V280 R284 R292D278-K282 WeakPolarHBondContact O-CG 3.38Å; Y279-K282 WeakPolarHBondContact O-CB 3.46Å; Y279-K282 PolarHBondContact O-N 2.96Å; V280-K282 PolarHBondContact O-N 3.35Å; K282-R284 PolarHBondContact O-NH1 2.94Å; K282-R292 PolarHBondContact O-NH1 2.79Å
283A98.1Very high97.2Very high0 Ų056.2 Ų56.20%026%0.259CS..  trans-59.2140.8-179.500000111.4T257 V280 L281 E288 F289 R292T257-A283 HydrophobicContact CG2-CB 3.97Å; V280-A283 VanDerWaalsContact O-CB 3.27Å; V280-A283 WeakPolarHBondContact O-CB 3.45Å; V280-A283 PolarHBondContact O-N 3.21Å; L281-A283 PolarHBondContact O-N 3.48Å; A283-E288 WeakPolarHBondContact CA-OE2 3.36Å; A283-E288 HydrophobicContact CB-CB 3.98Å; A283-F289 HydrophobicContact CB-CB 3.98Å; A283-R292 VanDerWaalsContact N-NH1 3.14Å
284R97.2Very high97.4Very high137 Ų13748.8 Ų48.852%0.51723%0.228SC..  trans-119.9-12177.7-60.8-62.4178.7-105.81.7113.3W249 K282 E288W249-R284 PolarHBondContact NE1-O 3.2Å; K282-R284 PolarHBondContact O-NH1 2.94Å; R284-E288 PolarHBondContact N-OE2 3.06Å
285T98.1Very high97.4Very high14 Ų1445.3 Ų45.39%0.08621%0.207CC..SBendtrans-132.5160.7171.778.20000110.7E244 N253 T257 R287 E288 F289E244-T285 HydrophobicContact CG-CG2 4.1Å; E244-T285 VanDerWaalsContact OE1-CB 3.25Å; E244-T285 WeakPolarHBondContact OE1-CB 3.4Å; E244-T285 PolarHBondContact OE1-OG1 3.34Å; N253-T285 VanDerWaalsContact OD1-CA 3.24Å; N253-T285 WeakPolarHBondContact OD1-CA 2.99Å; T257-T285 WeakPolarHBondContact OG1-CA 3.5Å; T285-R287 PolarHBondContact O-N 3.14Å; T285-R287 PolarHBondContact OG1-N 2.8Å; T285-E288 PolarHBondContact O-N 3.1Å; T285-E288 PolarHBondContact OG1-N 3.39Å; T285-E288 VanDerWaalsContact OG1-N 3.1Å; T285-F289 PolarHBondContact O-N 3.38Å
286I97.6Very high97.4Very high22 Ų2250.3 Ų50.311%0.11323%0.229CC..Hα-helixtrans-58.3-37.7173.2-66.2164.3000109.8L133 M243 N253 L256 T257 L260 F289 D290L133-I286 HydrophobicContact CD2-CD1 4.42Å; M243-I286 HydrophobicContact CE-CD1 4.22Å; N253-I286 WeakPolarHBondContact OD1-CG1 3.43Å; N253-I286 PolarHBondContact OD1-N 2.83Å; L256-I286 HydrophobicContact CB-CD1 3.98Å; L256-I286 HydrophobicContact CB-CG1 4.33Å; L256-I286 HydrophobicContact CD1-CD1 4.03Å; T257-I286 PolarHBondContact OG1-N 3.43Å; L260-I286 HydrophobicContact CD1-CG1 4.5Å; I286-F289 WeakPolarHBondContact O-CB 3.16Å; I286-F289 PolarHBondContact O-N 2.9Å; I286-D290 WeakPolarHBondContact CG2-OD2 3.44Å; I286-D290 WeakPolarHBondContact O-CB 3.34Å; I286-D290 PolarHBondContact O-N 3.35Å
287R98.1Very high97.2Very high64 Ų6447.3 Ų47.324%0.24221%0.214CC..Hα-helixtrans-61.4-47.1175.3-168-176.8-58-177.68.8112.7S240 D241 E244 T285 F289 D290 E291 Y307S240-R287 PolarHBondContact OG-NE 3.18Å; S240-R287 PolarHBondContact OG-NH2 2.8Å; D241-R287 IonicContact OD1-CZ 3.13Å; D241-R287 IonicContact OD1-NH1 3.92Å; D241-R287 IonicContact OD1-NH2 3.89Å; D241-R287 PolarHBondContact OD1-NH2 2.71Å; E244-R287 WeakPolarHBondContact OE1-CB 3.21Å; E244-R287 IonicContact OE1-NE 3.68Å; E244-R287 IonicContact OE2-CZ 2.68Å; E244-R287 IonicContact OE2-NE 3.61Å; E244-R287 PolarHBondContact OE2-NE 3.4Å; E244-R287 IonicContact OE2-NH1 3.95Å; E244-R287 IonicContact OE2-NH2 3.27Å; E244-R287 PolarHBondContact OE2-NH2 3.27Å; T285-R287 PolarHBondContact O-N 3.14Å; T285-R287 PolarHBondContact OG1-N 2.8Å; R287-F289 VanDerWaalsContact C-N 3.28Å; R287-F289 PolarHBondContact O-N 3.16Å; R287-D290 PolarHBondContact O-N 3.17Å; R287-E291 VanDerWaalsContact O-CB 3.29Å; R287-E291 WeakPolarHBondContact O-CB 3.39Å; R287-E291 PolarHBondContact O-N 3.42Å; R287-Y307 VanDerWaalsContact CA-OH 3.31Å; R287-Y307 WeakPolarHBondContact CA-OH 3.07Å; R287-Y307 HydrophobicContact CG-CE2 4.15Å
288E98.3Very high97.2Very high55 Ų5549.3 Ų49.326%0.25722%0.222SC..Hα-helixtrans-62.4-39175.9-71.4-177.5-169.700111.2A283 R284 T285 R292A283-E288 WeakPolarHBondContact CA-OE2 3.36Å; A283-E288 HydrophobicContact CB-CB 3.98Å; R284-E288 PolarHBondContact N-OE2 3.06Å; T285-E288 PolarHBondContact O-N 3.1Å; T285-E288 PolarHBondContact OG1-N 3.39Å; T285-E288 VanDerWaalsContact OG1-N 3.1Å; E288-R292 VanDerWaalsContact CD-NH2 3.3Å; E288-R292 WeakPolarHBondContact O-CB 3.43Å; E288-R292 WeakPolarHBondContact O-CG 3.38Å; E288-R292 PolarHBondContact O-N 2.85Å; E288-R292 IonicContact OE1-NH2 3.26Å; E288-R292 IonicContact OE2-CZ 2.75Å; E288-R292 IonicContact OE2-NH1 3.35Å; E288-R292 IonicContact OE2-NH2 3.94Å; E288-R292 PolarHBondContact OE2-NH2 3.31Å
289F98.3Very high97Very high8 Ų848.6 Ų48.64%0.03523%0.234CC..Hα-helixtrans-63.1-47.9174.3179.6-87.5000111T257 L260 V264 V280 A283 T285 I286 R287 E291 R292 F293T257-F289 HydrophobicContact CG2-CB 4.48Å; L260-F289 HydrophobicContact CB-CD1 4.19Å; L260-F289 HydrophobicContact CB-CD2 3.86Å; L260-F289 HydrophobicContact CB-CE1 4.04Å; L260-F289 HydrophobicContact CB-CE2 3.69Å; L260-F289 HydrophobicContact CB-CG 4.11Å; L260-F289 HydrophobicContact CB-CZ 3.8Å; L260-F289 HydrophobicContact CD1-CD1 3.78Å; L260-F289 HydrophobicContact CD1-CE1 4.11Å; L260-F289 HydrophobicContact CD1-CG 4.1Å; L260-F289 HydrophobicContact CD2-CE1 4.24Å; L260-F289 HydrophobicContact CD2-CZ 4.47Å; L260-F289 HydrophobicContact CG-CD1 4.46Å; L260-F289 HydrophobicContact CG-CE1 4.37Å; V264-F289 HydrophobicContact CG2-CE2 3.6Å; V264-F289 HydrophobicContact CG2-CZ 3.72Å; V280-F289 HydrophobicContact CG1-CD2 4.02Å; V280-F289 HydrophobicContact CG1-CE2 3.82Å; A283-F289 HydrophobicContact CB-CB 3.98Å; T285-F289 PolarHBondContact O-N 3.38Å; I286-F289 WeakPolarHBondContact O-CB 3.16Å; I286-F289 PolarHBondContact O-N 2.9Å; R287-F289 VanDerWaalsContact C-N 3.28Å; R287-F289 PolarHBondContact O-N 3.16Å; F289-E291 VanDerWaalsContact C-N 3.31Å; F289-E291 PolarHBondContact O-N 2.65Å; F289-R292 PolarHBondContact O-N 3.1Å; F289-F293 HydrophobicContact CD1-CB 4.4Å; F289-F293 HydrophobicContact CE1-CB 4.05Å; F289-F293 AromaticContact CE1-CD1 3.68Å; F289-F293 HydrophobicContact CE1-CD1 3.68Å; F289-F293 HydrophobicContact CE1-CG 4.14Å; F289-F293 HydrophobicContact CE2-CB 4.18Å; F289-F293 HydrophobicContact CE2-CD1 4.47Å; F289-F293 HydrophobicContact CE2-CG 4.29Å; F289-F293 HydrophobicContact CZ-CB 3.93Å; F289-F293 AromaticContact CZ-CD1 3.52Å; F289-F293 HydrophobicContact CZ-CD1 3.52Å; F289-F293 HydrophobicContact CZ-CE1 4.19Å; F289-F293 AromaticContact CZ-CG 3.77Å; F289-F293 HydrophobicContact CZ-CG 3.77Å; F289-F293 WeakPolarHBondContact O-CA 3.22Å; F289-F293 VanDerWaalsContact O-CB 3.24Å; F289-F293 WeakPolarHBondContact O-CB 3.32Å; F289-F293 PolarHBondContact O-N 3.48Å
290D97.9Very high97Very high14 Ų1445.9 Ų45.98%0.07522%0.224CC..Iπ-helixtrans-65.5-34.6180-75.3-34.4000112.4I286 R287 T294 S295 Y306 Y307I286-D290 WeakPolarHBondContact CG2-OD2 3.44Å; I286-D290 WeakPolarHBondContact O-CB 3.34Å; I286-D290 PolarHBondContact O-N 3.35Å; R287-D290 PolarHBondContact O-N 3.17Å; D290-T294 PolarHBondContact O-N 3.32Å; D290-T294 WeakPolarHBondContact OD1-CB 3.48Å; D290-T294 PolarHBondContact OD1-OG1 3.49Å; D290-S295 WeakPolarHBondContact O-CB 3.27Å; D290-S295 PolarHBondContact O-N 3.02Å; D290-S295 PolarHBondContact O-OG 2.97Å; D290-Y306 HydrophobicContact CB-CD1 4.2Å; D290-Y306 HydrophobicContact CB-CE1 4.1Å; D290-Y307 HydrophobicContact CB-CE1 4.12Å; D290-Y307 VanDerWaalsContact OD2-CE1 3.23Å; D290-Y307 WeakPolarHBondContact OD2-CE1 3.24Å; D290-Y307 PolarHBondContact OD2-OH 3.39Å
291E97.7Very high97Very high103 Ų10355.5 Ų55.548%0.48127%0.266SS..Iπ-helixtrans-66.9-47.3174.1-175.2174.6-165.900111.2R287 F289 H296 C303R287-E291 VanDerWaalsContact O-CB 3.29Å; R287-E291 WeakPolarHBondContact O-CB 3.39Å; R287-E291 PolarHBondContact O-N 3.42Å; F289-E291 VanDerWaalsContact C-N 3.31Å; F289-E291 PolarHBondContact O-N 2.65Å; E291-H296 PolarHBondContact O-CD2 2.91Å; E291-H296 PolarHBondContact O-NE2 3.08Å; E291-C303 HydrophobicContact CB-CB 3.91Å; E291-C303 HydrophobicContact CG-CB 4.3Å
292R97.4Very high96.9Very high35 Ų3555.4 Ų55.413%0.13227%0.268CS..Iπ-helixtrans-83-23.6-174-61.4178.8-166162.215.9114.2Y279 V280 K282 A283 E288 F289 H296Y279-R292 HydrophobicContact CD1-CB 4.21Å; Y279-R292 HydrophobicContact CD1-CG 3.98Å; Y279-R292 HydrophobicContact CE1-CB 4.09Å; Y279-R292 HydrophobicContact CE1-CG 3.44Å; Y279-R292 VanDerWaalsContact CE1-CG 3.44Å; Y279-R292 WeakPolarHBondContact O-CD 3.15Å; Y279-R292 PolarHBondContact O-NH1 2.91Å; V280-R292 HydrophobicContact CG2-CB 4.07Å; V280-R292 WeakPolarHBondContact CG2-O 3.46Å; K282-R292 PolarHBondContact O-NH1 2.79Å; A283-R292 VanDerWaalsContact N-NH1 3.14Å; E288-R292 VanDerWaalsContact CD-NH2 3.3Å; E288-R292 WeakPolarHBondContact O-CB 3.43Å; E288-R292 WeakPolarHBondContact O-CG 3.38Å; E288-R292 PolarHBondContact O-N 2.85Å; E288-R292 IonicContact OE1-NH2 3.26Å; E288-R292 IonicContact OE2-CZ 2.75Å; E288-R292 IonicContact OE2-NH1 3.35Å; E288-R292 IonicContact OE2-NH2 3.94Å; E288-R292 PolarHBondContact OE2-NH2 3.31Å; F289-R292 PolarHBondContact O-N 3.1Å; R292-H296 PolarHBondContact O-CD2 3.06Å; R292-H296 VanDerWaalsContact O-CD2 3.3Å
293F97.1Very high96.9Very high7 Ų750 Ų503%0.03125%0.246CC..Iπ-helixtrans-120.1-68.6-176-173.4-96.5000111.6T174 V264 L271 V275 V280 F289 S295 H296 V297T174-F293 HydrophobicContact CG2-CE1 4.31Å; T174-F293 HydrophobicContact CG2-CZ 4.1Å; V264-F293 HydrophobicContact CG1-CE2 4.36Å; V264-F293 HydrophobicContact CG2-CD2 4Å; V264-F293 HydrophobicContact CG2-CE1 4.45Å; V264-F293 HydrophobicContact CG2-CE2 3.83Å; V264-F293 HydrophobicContact CG2-CG 4.39Å; V264-F293 HydrophobicContact CG2-CZ 4.07Å; L271-F293 HydrophobicContact CB-CE2 4.48Å; L271-F293 HydrophobicContact CD1-CE2 3.96Å; L271-F293 HydrophobicContact CD1-CZ 3.95Å; L271-F293 HydrophobicContact CD2-CE2 4.1Å; L271-F293 HydrophobicContact CD2-CZ 3.88Å; L271-F293 HydrophobicContact CG-CE2 4.41Å; L271-F293 HydrophobicContact CG-CZ 4.47Å; V275-F293 HydrophobicContact CG1-CD2 4.42Å; V275-F293 HydrophobicContact CG2-CD2 3.89Å; V275-F293 HydrophobicContact CG2-CE2 3.87Å; V280-F293 HydrophobicContact CG1-CB 3.85Å; V280-F293 HydrophobicContact CG1-CD2 4.06Å; V280-F293 HydrophobicContact CG1-CG 4.27Å; V280-F293 HydrophobicContact CG2-CB 4Å; V280-F293 HydrophobicContact CG2-CD2 4.1Å; F289-F293 HydrophobicContact CD1-CB 4.4Å; F289-F293 HydrophobicContact CE1-CB 4.05Å; F289-F293 AromaticContact CE1-CD1 3.68Å; F289-F293 HydrophobicContact CE1-CD1 3.68Å; F289-F293 HydrophobicContact CE1-CG 4.14Å; F289-F293 HydrophobicContact CE2-CB 4.18Å; F289-F293 HydrophobicContact CE2-CD1 4.47Å; F289-F293 HydrophobicContact CE2-CG 4.29Å; F289-F293 HydrophobicContact CZ-CB 3.93Å; F289-F293 AromaticContact CZ-CD1 3.52Å; F289-F293 HydrophobicContact CZ-CD1 3.52Å; F289-F293 HydrophobicContact CZ-CE1 4.19Å; F289-F293 AromaticContact CZ-CG 3.77Å; F289-F293 HydrophobicContact CZ-CG 3.77Å; F289-F293 WeakPolarHBondContact O-CA 3.22Å; F289-F293 VanDerWaalsContact O-CB 3.24Å; F289-F293 WeakPolarHBondContact O-CB 3.32Å; F289-F293 PolarHBondContact O-N 3.48Å; F293-S295 PolarHBondContact O-N 3.18Å; F293-H296 PolarHBondContact O-N 2.95Å; F293-V297 HydrophobicContact CD1-CG2 4.35Å; F293-V297 HydrophobicContact CD2-CG2 4.12Å; F293-V297 HydrophobicContact CE1-CG2 4.14Å; F293-V297 HydrophobicContact CE2-CG2 3.89Å; F293-V297 HydrophobicContact CG-CG2 4.34Å; F293-V297 HydrophobicContact CZ-CG2 3.91Å; F293-V297 WeakPolarHBondContact O-CB 3.07Å; F293-V297 WeakPolarHBondContact O-CG2 3.42Å; F293-V297 PolarHBondContact O-N 2.83Å
294T96.7Very high96.8Very high6 Ų652.7 Ų52.74%0.03726%0.263CS..Iπ-helixtrans-59-48-169-530000112C176 D290 H296 V297 F298 Y306C176-T294 HydrophobicContact CB-CG2 3.62Å; D290-T294 PolarHBondContact O-N 3.32Å; D290-T294 WeakPolarHBondContact OD1-CB 3.48Å; D290-T294 PolarHBondContact OD1-OG1 3.49Å; T294-H296 VanDerWaalsContact C-N 3.31Å; T294-H296 PolarHBondContact O-N 3.41Å; T294-V297 PolarHBondContact O-N 3.45Å; T294-F298 HydrophobicContact CG2-CD2 3.83Å; T294-F298 HydrophobicContact CG2-CE2 4.26Å; T294-F298 WeakPolarHBondContact O-CB 3.4Å; T294-F298 VanDerWaalsContact O-CD2 3.29Å; T294-F298 WeakPolarHBondContact O-CD2 3.43Å; T294-F298 PolarHBondContact O-N 3.28Å; T294-Y306 HydrophobicContact CG2-CD1 4.05Å; T294-Y306 HydrophobicContact CG2-CD2 4.35Å; T294-Y306 HydrophobicContact CG2-CE1 3.62Å; T294-Y306 HydrophobicContact CG2-CE2 3.98Å; T294-Y306 HydrophobicContact CG2-CG 4.4Å
295S95.9Very high96.9Very high3 Ų348.8 Ų48.82%0.02125%0.252CS..Hα-helixtrans-61.6-41.4-178.8-55.20000111.3D290 F293 G299 Y300 C303D290-S295 WeakPolarHBondContact O-CB 3.27Å; D290-S295 PolarHBondContact O-N 3.02Å; D290-S295 PolarHBondContact O-OG 2.97Å; F293-S295 PolarHBondContact O-N 3.18Å; S295-G299 PolarHBondContact O-N 3Å; S295-G299 VanDerWaalsContact O-N 3.11Å; S295-Y300 PolarHBondContact O-N 2.65Å; S295-C303 WeakPolarHBondContact OG-CA 3.4Å; S295-C303 PolarHBondContact OG-N 3.38Å
296H94.1Very high96.9Very high123 Ų12348.6 Ų48.657%0.56925%0.25SC*.Hα-helixtrans-69.9-50.9178.3-71.1-71000112.6V275 E291 R292 F293 T294 F298 G299V275-H296 HydrophobicContact CG1-CB 4.24Å; E291-H296 PolarHBondContact O-CD2 2.91Å; E291-H296 PolarHBondContact O-NE2 3.08Å; R292-H296 PolarHBondContact O-CD2 3.06Å; R292-H296 VanDerWaalsContact O-CD2 3.3Å; F293-H296 PolarHBondContact O-N 2.95Å; T294-H296 VanDerWaalsContact C-N 3.31Å; T294-H296 PolarHBondContact O-N 3.41Å; H296-F298 VanDerWaalsContact C-N 3.26Å; H296-F298 PolarHBondContact O-N 3.32Å; H296-G299 PolarHBondContact O-N 3.16Å; H296-G299 VanDerWaalsContact O-N 3.13Å
297V94.1Very high96.9Very high36 Ų3648 Ų4822%0.21825%0.246CC..Hα-helixtrans-62.5-35-177.4172.20000111.6V274 V275 F293 T294V274-V297 HydrophobicContact CG2-CG2 4.37Å; V275-V297 HydrophobicContact CG1-CG2 3.65Å; F293-V297 HydrophobicContact CD1-CG2 4.35Å; F293-V297 HydrophobicContact CD2-CG2 4.12Å; F293-V297 HydrophobicContact CE1-CG2 4.14Å; F293-V297 HydrophobicContact CE2-CG2 3.89Å; F293-V297 HydrophobicContact CG-CG2 4.34Å; F293-V297 HydrophobicContact CZ-CG2 3.91Å; F293-V297 WeakPolarHBondContact O-CB 3.07Å; F293-V297 WeakPolarHBondContact O-CG2 3.42Å; F293-V297 PolarHBondContact O-N 2.83Å; T294-V297 PolarHBondContact O-N 3.45Å
298F95.1Very high96.9Very high46 Ų4653.1 Ų53.120%0.20227%0.265CS..THydrogen-bonded Turntrans-95.98178.9-68.5-80.7000114C176 N179 T294 H296 Y300C176-F298 HydrophobicContact CB-CD2 3.89Å; C176-F298 HydrophobicContact CB-CE2 3.6Å; C176-F298 HydrophobicContact CB-CG 4.49Å; C176-F298 HydrophobicContact CB-CZ 3.99Å; N179-F298 HydrophobicContact CB-CD1 4.18Å; N179-F298 HydrophobicContact CB-CE1 3.8Å; T294-F298 HydrophobicContact CG2-CD2 3.83Å; T294-F298 HydrophobicContact CG2-CE2 4.26Å; T294-F298 WeakPolarHBondContact O-CB 3.4Å; T294-F298 VanDerWaalsContact O-CD2 3.29Å; T294-F298 WeakPolarHBondContact O-CD2 3.43Å; T294-F298 PolarHBondContact O-N 3.28Å; H296-F298 VanDerWaalsContact C-N 3.26Å; H296-F298 PolarHBondContact O-N 3.32Å; F298-Y300 VanDerWaalsContact C-N 3.35Å; F298-Y300 HydrophobicContact CB-CD2 3.72Å; F298-Y300 HydrophobicContact CB-CE2 3.58Å; F298-Y300 PolarHBondContact O-N 2.68Å
299G95.3Very high96.9Very high67 Ų6752.7 Ų52.769%0.69127%0.265SS*.THydrogen-bonded Turntrans70.723.1171.800000115.4S295 H296S295-G299 PolarHBondContact O-N 3Å; S295-G299 VanDerWaalsContact O-N 3.11Å; H296-G299 PolarHBondContact O-N 3.16Å; H296-G299 VanDerWaalsContact O-N 3.13Å
300Y97.3Very high96.9Very high52 Ų5252.3 Ų52.320%0.20426%0.263CS..  trans-77.5144.1172.7-67.5-82.5000111.2A178 S295 F298 S302 D305 Y306 D309A178-Y300 WeakPolarHBondContact CB-OH 3.43Å; S295-Y300 PolarHBondContact O-N 2.65Å; F298-Y300 VanDerWaalsContact C-N 3.35Å; F298-Y300 HydrophobicContact CB-CD2 3.72Å; F298-Y300 HydrophobicContact CB-CE2 3.58Å; F298-Y300 PolarHBondContact O-N 2.68Å; Y300-S302 VanDerWaalsContact C-N 3.29Å; Y300-S302 PolarHBondContact O-N 2.91Å; Y300-D305 HydrophobicContact CD1-CB 4.47Å; Y300-Y306 HydrophobicContact CD2-CD2 4.08Å; Y300-Y306 HydrophobicContact CD2-CG 4.26Å; Y300-Y306 AromaticContact CE2-CD2 3.66Å; Y300-Y306 HydrophobicContact CE2-CD2 3.66Å; Y300-Y306 HydrophobicContact CE2-CG 4.3Å; Y300-D309 HydrophobicContact CE1-CB 3.86Å; Y300-D309 PolarHBondContact OH-OD2 2.96Å
301K96.1Very high96.9Very high203 Ų20352.5 Ų52.588%0.88327%0.266SS*.SBendtrans-67.9-31.1176.8-63.5179.6-178.6179.30112.6
302S96.9Very high96.9Very high43 Ų4347.6 Ų47.630%0.30124%0.243SC..  trans-153.9159.7-179.871.10000111.1Y300 V304 D305 Y306Y300-S302 VanDerWaalsContact C-N 3.29Å; Y300-S302 PolarHBondContact O-N 2.91Å; S302-V304 PolarHBondContact O-N 2.84Å; S302-D305 PolarHBondContact O-N 3.18Å; S302-D305 VanDerWaalsContact O-N 3.14Å; S302-D305 PolarHBondContact OG-N 3.46Å; S302-D305 VanDerWaalsContact OG-N 3.11Å; S302-D305 PolarHBondContact OG-OD2 2.73Å; S302-Y306 PolarHBondContact O-N 3.43Å; S302-Y306 VanDerWaalsContact O-N 3.09Å
303C96.9Very high96.9Very high11 Ų1146.6 Ų46.67%0.07424%0.242CC..Hα-helixtrans-59.6-33.9172.5-171.40000112.2E291 S295 Y306 Y307E291-C303 HydrophobicContact CB-CB 3.91Å; E291-C303 HydrophobicContact CG-CB 4.3Å; S295-C303 WeakPolarHBondContact OG-CA 3.4Å; S295-C303 PolarHBondContact OG-N 3.38Å; C303-Y306 WeakPolarHBondContact O-CB 3.48Å; C303-Y306 PolarHBondContact O-N 2.99Å; C303-Y307 PolarHBondContact O-N 2.98Å
304V97.6Very high96.9Very high57 Ų5755 Ų5535%0.34528%0.279SS..Hα-helixtrans-65.7-39.8175.91780000111.5S302 Y307 R308S302-V304 PolarHBondContact O-N 2.84Å; V304-Y307 PolarHBondContact O-N 3.14Å; V304-R308 WeakPolarHBondContact O-CG 3.19Å; V304-R308 PolarHBondContact O-N 2.82Å
305D97.9Very high97Very high55 Ų5556.9 Ų56.929%0.29429%0.286SS..Hα-helixtrans-66.6-39.9176.2-63.2-42000111.3Y300 S302 R308 D309Y300-D305 HydrophobicContact CD1-CB 4.47Å; S302-D305 PolarHBondContact O-N 3.18Å; S302-D305 VanDerWaalsContact O-N 3.14Å; S302-D305 PolarHBondContact OG-N 3.46Å; S302-D305 VanDerWaalsContact OG-N 3.11Å; S302-D305 PolarHBondContact OG-OD2 2.73Å; D305-R308 PolarHBondContact O-N 3.06Å; D305-R308 IonicContact OD1-NH1 3.21Å; D305-R308 PolarHBondContact OD1-NH1 3.01Å; D305-D309 PolarHBondContact O-N 3.11Å; D305-D309 VanDerWaalsContact O-N 3.11Å
306Y98.4Very high97Very high11 Ų1156.8 Ų56.84%0.04329%0.286CS..Hα-helixtrans-58-49.7170.4165.2-125.8000111.5C176 A177 A178 D290 T294 Y300 S302 C303 R308 D309 A310C176-Y306 HydrophobicContact CB-CE2 3.84Å; A177-Y306 PolarHBondContact N-OH 2.83Å; A178-Y306 HydrophobicContact CB-CD2 4.37Å; A178-Y306 HydrophobicContact CB-CE2 4.15Å; D290-Y306 HydrophobicContact CB-CD1 4.2Å; D290-Y306 HydrophobicContact CB-CE1 4.1Å; T294-Y306 HydrophobicContact CG2-CD1 4.05Å; T294-Y306 HydrophobicContact CG2-CD2 4.35Å; T294-Y306 HydrophobicContact CG2-CE1 3.62Å; T294-Y306 HydrophobicContact CG2-CE2 3.98Å; T294-Y306 HydrophobicContact CG2-CG 4.4Å; Y300-Y306 HydrophobicContact CD2-CD2 4.08Å; Y300-Y306 HydrophobicContact CD2-CG 4.26Å; Y300-Y306 AromaticContact CE2-CD2 3.66Å; Y300-Y306 HydrophobicContact CE2-CD2 3.66Å; Y300-Y306 HydrophobicContact CE2-CG 4.3Å; S302-Y306 PolarHBondContact O-N 3.43Å; S302-Y306 VanDerWaalsContact O-N 3.09Å; C303-Y306 WeakPolarHBondContact O-CB 3.48Å; C303-Y306 PolarHBondContact O-N 2.99Å; Y306-R308 VanDerWaalsContact C-N 3.33Å; Y306-R308 PolarHBondContact O-N 2.89Å; Y306-D309 CarbonylContact O-C 3.57Å; Y306-D309 PolarHBondContact O-N 3.38Å; Y306-D309 VanDerWaalsContact O-N 3.15Å; Y306-A310 HydrophobicContact CD2-CB 4.38Å; Y306-A310 HydrophobicContact CE2-CB 3.96Å; Y306-A310 WeakPolarHBondContact O-CB 3.26Å; Y306-A310 PolarHBondContact O-N 3.32Å
307Y98.3Very high97.2Very high10 Ų1054.1 Ų54.14%0.03928%0.279CS..Hα-helixtrans-63.5-36.6-179.4-73.2-10.2000113.5A236 L237 R287 D290 C303 V304 D309 A310 S311A236-Y307 HydrophobicContact CB-CD1 3.97Å; A236-Y307 HydrophobicContact CB-CG 4.02Å; L237-Y307 HydrophobicContact CB-CD2 4.23Å; L237-Y307 HydrophobicContact CD1-CD2 3.94Å; R287-Y307 VanDerWaalsContact CA-OH 3.31Å; R287-Y307 WeakPolarHBondContact CA-OH 3.07Å; R287-Y307 HydrophobicContact CG-CE2 4.15Å; D290-Y307 HydrophobicContact CB-CE1 4.12Å; D290-Y307 VanDerWaalsContact OD2-CE1 3.23Å; D290-Y307 WeakPolarHBondContact OD2-CE1 3.24Å; D290-Y307 PolarHBondContact OD2-OH 3.39Å; C303-Y307 PolarHBondContact O-N 2.98Å; V304-Y307 PolarHBondContact O-N 3.14Å; Y307-D309 VanDerWaalsContact C-N 3.34Å; Y307-A310 PolarHBondContact O-N 2.96Å; Y307-S311 WeakPolarHBondContact O-CB 3.41Å; Y307-S311 PolarHBondContact O-N 3.32Å; Y307-S311 VanDerWaalsContact O-N 3.11Å; Y307-S311 PolarHBondContact O-OG 2.97Å
308R97.8Very high97.4Very high170 Ų17056.6 Ų56.664%0.64229%0.288SS*.Hα-helixtrans-62.6-42.1173.2-74.4170.9179.1162.4-1.9111.8V304 D305 Y306V304-R308 WeakPolarHBondContact O-CG 3.19Å; V304-R308 PolarHBondContact O-N 2.82Å; D305-R308 PolarHBondContact O-N 3.06Å; D305-R308 IonicContact OD1-NH1 3.21Å; D305-R308 PolarHBondContact OD1-NH1 3.01Å; Y306-R308 VanDerWaalsContact C-N 3.33Å; Y306-R308 PolarHBondContact O-N 2.89Å
309D98.1Very high97.5Very high47 Ų4754.9 Ų54.925%0.25128%0.281SS..Hα-helixtrans-73.4-37.1176.8-17024.2000112.1A178 Y300 D305 Y306 Y307 S311 K315A178-D309 HydrophobicContact CB-CB 4.3Å; Y300-D309 HydrophobicContact CE1-CB 3.86Å; Y300-D309 PolarHBondContact OH-OD2 2.96Å; D305-D309 PolarHBondContact O-N 3.11Å; D305-D309 VanDerWaalsContact O-N 3.11Å; Y306-D309 CarbonylContact O-C 3.57Å; Y306-D309 PolarHBondContact O-N 3.38Å; Y306-D309 VanDerWaalsContact O-N 3.15Å; Y307-D309 VanDerWaalsContact C-N 3.34Å; D309-S311 VanDerWaalsContact C-N 3.27Å; D309-S311 PolarHBondContact O-N 3.31Å; D309-K315 WeakPolarHBondContact O-CE 3.43Å; D309-K315 PolarHBondContact O-NZ 2.86Å; D309-K315 IonicContact OD1-NZ 2.91Å; D309-K315 PolarHBondContact OD1-NZ 2.81Å
310A98.1Very high97.6Very high0 Ų053 Ų530%026%0.26CS..Hα-helixtrans-63.5-32.4177.600000113.3A177 A178 M209 N213 A236 Y306 Y307 P312A177-A310 HydrophobicContact CB-CB 3.63Å; A178-A310 HydrophobicContact CB-CB 4.36Å; M209-A310 HydrophobicContact CE-CB 4.14Å; M209-A310 WeakPolarHBondContact CE-O 3.48Å; N213-A310 PolarHBondContact ND2-O 2.93Å; A236-A310 HydrophobicContact CB-CB 4.14Å; Y306-A310 HydrophobicContact CD2-CB 4.38Å; Y306-A310 HydrophobicContact CE2-CB 3.96Å; Y306-A310 WeakPolarHBondContact O-CB 3.26Å; Y306-A310 PolarHBondContact O-N 3.32Å; Y307-A310 PolarHBondContact O-N 2.96Å; A310-P312 WeakPolarHBondContact O-CD 3.49Å
311S98.4Very high97.6Very high17 Ų1751.1 Ų51.112%0.11925%0.254CS..  trans-68116.9-171.9-63.30000112.8A236 Y307 D309A236-S311 PolarHBondContact N-OG 3.12Å; Y307-S311 WeakPolarHBondContact O-CB 3.41Å; Y307-S311 PolarHBondContact O-N 3.32Å; Y307-S311 VanDerWaalsContact O-N 3.11Å; Y307-S311 PolarHBondContact O-OG 2.97Å; D309-S311 VanDerWaalsContact C-N 3.27Å; D309-S311 PolarHBondContact O-N 3.31Å
312P97.8Very high97.7Very high0 Ų041.7 Ų41.70%021%0.213CC..  trans-80.8-18.6-173.530.7-35.4000114.3M209 L212 V232 A233 W234 A310 K314 K315 L316M209-P312 HydrophobicContact CG-CG 4.47Å; L212-P312 HydrophobicContact CB-CB 3.75Å; L212-P312 HydrophobicContact CD1-CB 3.84Å; L212-P312 HydrophobicContact CD1-CG 4.02Å; L212-P312 HydrophobicContact CG-CB 4.47Å; V232-P312 HydrophobicContact CG1-CG 3.87Å; A233-P312 WeakPolarHBondContact O-CD 3.39Å; W234-P312 HydrophobicContact CE3-CG 4.02Å; W234-P312 HydrophobicContact CZ3-CG 4.38Å; W234-P312 WeakPolarHBondContact O-CD 3.42Å; A310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-K314 PolarHBondContact O-N 3.34Å; P312-K315 WeakPolarHBondContact O-CB 3.37Å; P312-K315 PolarHBondContact O-N 3.12Å; P312-L316 PolarHBondContact O-N 3.35Å
313A97.2Very high97.8Very high15 Ų1539.6 Ų39.612%0.12420%0.198CC..G310 helixtrans-51.5-49.6-169.300000114.1W234 K315 P340 I343W234-A313 HydrophobicContact CB-CB 4.36Å; W234-A313 HydrophobicContact CE3-CB 4.33Å; W234-A313 WeakPolarHBondContact O-CB 3.37Å; W234-A313 PolarHBondContact O-N 3.17Å; A313-K315 VanDerWaalsContact C-N 3.26Å; A313-K315 PolarHBondContact O-N 3.42Å; A313-P340 HydrophobicContact CB-CB 4.14Å; A313-I343 WeakPolarHBondContact O-CD1 3.02Å
314K96.8Very high97.9Very high183 Ų18339.1 Ų39.180%0.79620%0.195SC*.G310 helixtrans-77.9-9.2-178-64.6-177.5-179.11780113.8P312P312-K314 PolarHBondContact O-N 3.34Å
315K98.1Very high98Very high45 Ų4536.4 Ų36.420%0.19618%0.179CC..G310 helixtrans-96.3-15.1-178.2-65.3172.7172.6-173.50112.5N213 A216 D309 P312 A313 P317 H318N213-K315 WeakPolarHBondContact OD1-CD 3.31Å; N213-K315 PolarHBondContact OD1-NZ 2.63Å; A216-K315 HydrophobicContact CB-CB 3.84Å; A216-K315 VanDerWaalsContact CB-O 3.28Å; A216-K315 WeakPolarHBondContact CB-O 3.32Å; D309-K315 WeakPolarHBondContact O-CE 3.43Å; D309-K315 PolarHBondContact O-NZ 2.86Å; D309-K315 IonicContact OD1-NZ 2.91Å; D309-K315 PolarHBondContact OD1-NZ 2.81Å; P312-K315 WeakPolarHBondContact O-CB 3.37Å; P312-K315 PolarHBondContact O-N 3.12Å; A313-K315 VanDerWaalsContact C-N 3.26Å; A313-K315 PolarHBondContact O-N 3.42Å; K315-P317 VanDerWaalsContact C-N 3.31Å; K315-H318 WeakPolarHBondContact O-CB 3.2Å; K315-H318 PolarHBondContact O-N 2.77Å
316L97.3Very high98Very high1 Ų133.8 Ų33.81%0.00517%0.165CC..G310 helixtrans-48.7-40.8177.2-74.8-179.3000114.7L212 W234 P312 H318 T319 P340 I343 V344 L347L212-L316 HydrophobicContact CD1-CD2 4.44Å; L212-L316 HydrophobicContact CD2-CD2 4.02Å; W234-L316 HydrophobicContact CE3-CD1 4.42Å; W234-L316 HydrophobicContact CH2-CD1 4.01Å; W234-L316 HydrophobicContact CH2-CD2 4.32Å; W234-L316 HydrophobicContact CZ3-CD1 3.58Å; W234-L316 HydrophobicContact CZ3-CD2 3.97Å; W234-L316 HydrophobicContact CZ3-CG 3.95Å; P312-L316 PolarHBondContact O-N 3.35Å; L316-H318 PolarHBondContact O-N 3.18Å; L316-T319 WeakPolarHBondContact O-CB 3.24Å; L316-T319 WeakPolarHBondContact O-CG2 3.49Å; L316-T319 PolarHBondContact O-N 3.46Å; L316-T319 PolarHBondContact O-OG1 3.24Å; L316-P340 HydrophobicContact CD1-CB 4.19Å; L316-P340 HydrophobicContact CD1-CG 3.8Å; L316-I343 HydrophobicContact CB-CG2 4.28Å; L316-V344 HydrophobicContact CD1-CG2 3.9Å; L316-L347 HydrophobicContact CB-CD1 3.81Å
317P97.8Very high98Very high67 Ų6733.2 Ų33.244%0.43516%0.162SC..G310 helixtrans-62.4-12.1179.1-24.836.2000115.1K315 I343 L347K315-P317 VanDerWaalsContact C-N 3.31Å; P317-I343 HydrophobicContact CG-CG2 3.88Å; P317-L347 HydrophobicContact CB-CD2 4.15Å; P317-L347 HydrophobicContact CG-CD2 4.43Å
318H97.8Very high98Very high88 Ų8832.8 Ų32.841%0.40716%0.161SC..G310 helixtrans-93.5-5.1176.4-59.3-40.3000113.3A216 R219 K315 L316A216-H318 HydrophobicContact CB-CB 4.12Å; A216-H318 WeakPolarHBondContact O-CB 3.31Å; R219-H318 VanDerWaalsContact CG-O 3.25Å; R219-H318 WeakPolarHBondContact CG-O 3.25Å; R219-H318 PolarHBondContact NH2-ND1 3.18Å; R219-H318 VanDerWaalsContact NH2-ND1 3.15Å; K315-H318 WeakPolarHBondContact O-CB 3.2Å; K315-H318 PolarHBondContact O-N 2.77Å; L316-H318 PolarHBondContact O-N 3.18Å
319T97.6Very high97.9Very high10 Ų1025.9 Ų25.96%0.06114%0.14CC..  trans-72.1144175.364.20000110.5L215 A216 L316 I323 N349L215-T319 HydrophobicContact CB-CG2 4.1Å; A216-T319 HydrophobicContact CB-CG2 4.14Å; L316-T319 WeakPolarHBondContact O-CB 3.24Å; L316-T319 WeakPolarHBondContact O-CG2 3.49Å; L316-T319 PolarHBondContact O-N 3.46Å; L316-T319 PolarHBondContact O-OG1 3.24Å; T319-I323 HydrophobicContact CG2-CD1 3.58Å; T319-N349 PolarHBondContact O-ND2 3.17Å; T319-N349 PolarHBondContact OG1-ND2 3.19Å
320A96.8Very high97.8Very high28 Ų2825.5 Ų25.523%0.23114%0.138CC..  trans-124.68.6-173.900000113.9R219 T220R219-A320 HydrophobicContact CB-CB 4.1Å; T220-A320 HydrophobicContact CG2-CB 3.83Å
321V98Very high97.7Very high13 Ų1325.7 Ų25.78%0.07914%0.139CC..SBendtrans-124.8158.9-177.3-56.70000109.3L215 I224 I323 N349L215-V321 HydrophobicContact CD1-CG2 3.97Å; L215-V321 HydrophobicContact CD2-CG2 3.85Å; L215-V321 HydrophobicContact CG-CG2 4.4Å; I224-V321 WeakPolarHBondContact O-CG1 3.32Å; V321-I323 HydrophobicContact CG2-CD1 4.48Å; V321-I323 HydrophobicContact CG2-CG1 4.14Å; V321-I323 PolarHBondContact O-N 3.22Å; V321-N349 PolarHBondContact O-ND2 3.47Å
322P98.6Very high97.6Very high4 Ų425.3 Ų25.33%0.02614%0.136CC..  trans-60.5131.3173.2-2235.2000111.3F50 V225 A226 G227 N349 I393 C397 I399F50-P322 HydrophobicContact CZ-CB 4.23Å; V225-P322 VanDerWaalsContact O-CD 3.29Å; V225-P322 WeakPolarHBondContact O-CD 3.49Å; A226-P322 CarbonylContact C-O 3.6Å; A226-P322 VanDerWaalsContact CA-O 3.24Å; A226-P322 WeakPolarHBondContact CA-O 3.27Å; A226-P322 HydrophobicContact CB-CB 4.32Å; A226-P322 WeakPolarHBondContact CB-O 3.31Å; G227-P322 PolarHBondContact N-O 3.19Å; P322-N349 CarbonylContact C-O 3.55Å; P322-N349 VanDerWaalsContact CA-O 3.32Å; P322-N349 WeakPolarHBondContact CA-O 3.28Å; P322-I393 HydrophobicContact CB-CD1 3.48Å; P322-I393 VanDerWaalsContact CB-CD1 3.48Å; P322-I393 HydrophobicContact CB-CG1 3.81Å; P322-I393 HydrophobicContact CG-CD1 3.89Å; P322-I393 HydrophobicContact CG-CG1 3.83Å; P322-I393 HydrophobicContact CG-CG2 4.41Å; P322-C397 HydrophobicContact CG-CB 4.21Å; P322-I399 VanDerWaalsContact CD-CD1 3.48Å; P322-I399 HydrophobicContact CG-CD1 3.81Å
323I98.8Very high97.5Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-132.4129.2179.5-59.4170.5000110.4L212 L215 G227 T319 V321 C325 N349 V350 A351L212-I323 HydrophobicContact CD2-CD1 4.1Å; L212-I323 HydrophobicContact CD2-CG2 3.91Å; L215-I323 HydrophobicContact CD1-CD1 3.71Å; L215-I323 HydrophobicContact CD1-CG1 4Å; G227-I323 CarbonylContact O-C 3.53Å; G227-I323 VanDerWaalsContact O-CA 3.26Å; G227-I323 WeakPolarHBondContact O-CA 3.46Å; T319-I323 HydrophobicContact CG2-CD1 3.58Å; V321-I323 HydrophobicContact CG2-CD1 4.48Å; V321-I323 HydrophobicContact CG2-CG1 4.14Å; V321-I323 PolarHBondContact O-N 3.22Å; I323-C325 VanDerWaalsContact CG2-SG 3.59Å; I323-N349 PolarHBondContact N-O 3.23Å; I323-V350 HydrophobicContact CB-CG2 4.44Å; I323-V350 CarbonylContact O-C 3.59Å; I323-V350 WeakPolarHBondContact O-CA 3.47Å; I323-A351 PolarHBondContact O-N 3.45Å
324L98.9Very high97.5Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-111.6123.7169.5179.262000110.7L54 G227 I228 T229 A351 L353 L378 F382L54-L324 HydrophobicContact CD1-CD1 4.23Å; L54-L324 HydrophobicContact CD2-CD2 4.39Å; G227-L324 PolarHBondContact O-N 2.85Å; I228-L324 CarbonylContact C-O 3.58Å; I228-L324 VanDerWaalsContact CA-O 3.27Å; I228-L324 WeakPolarHBondContact CA-O 3.24Å; T229-L324 PolarHBondContact N-O 3.3Å; L324-A351 HydrophobicContact CD1-CB 3.81Å; L324-L353 HydrophobicContact CD1-CB 4.37Å; L324-L378 HydrophobicContact CD2-CD1 3.96Å; L324-L378 HydrophobicContact CD2-CD2 4.39Å; L324-L378 HydrophobicContact CD2-CG 4.16Å; L324-F382 HydrophobicContact CB-CD1 4.17Å; L324-F382 HydrophobicContact CB-CD2 3.97Å; L324-F382 HydrophobicContact CB-CE1 3.91Å; L324-F382 HydrophobicContact CB-CE2 3.71Å; L324-F382 HydrophobicContact CB-CG 4.18Å; L324-F382 HydrophobicContact CB-CZ 3.67Å; L324-F382 HydrophobicContact CD2-CB 3.83Å; L324-F382 HydrophobicContact CD2-CD1 4.26Å; L324-F382 HydrophobicContact CD2-CD2 3.53Å; L324-F382 HydrophobicContact CD2-CE2 4.13Å; L324-F382 HydrophobicContact CD2-CG 3.59Å; L324-F382 HydrophobicContact CG-CD2 4.4Å
325C98.8Very high97.4Very high0 Ų018.4 Ų18.40%011%0.106CC..EExtended strand (participates in β ladder)trans-114.9127.5-179.8-57.50000110.2T229 W234 I323 A351 L352 L353T229-C325 CarbonylContact O-C 3.48Å; T229-C325 WeakPolarHBondContact O-CA 3.5Å; T229-C325 WeakPolarHBondContact OG1-CB 3.16Å; T229-C325 PolarHBondContact OG1-SG 2.87Å; W234-C325 HydrophobicContact CH2-CB 4.15Å; W234-C325 HydrophobicContact CZ2-CB 3.83Å; I323-C325 VanDerWaalsContact CG2-SG 3.59Å; C325-A351 PolarHBondContact N-O 3.12Å; C325-L352 HydrophobicContact CB-CD1 3.85Å; C325-L353 PolarHBondContact O-N 2.78Å
326L98.8Very high97.3Very high0 Ų022.1 Ų22.10%012%0.124CC..EExtended strand (participates in β ladder)trans-108.7124.1174.4173.865000110.3T229 I230 S231 L353 T355 F363 Y374 M375 L378T229-L326 PolarHBondContact O-N 3.03Å; I230-L326 HydrophobicContact CG1-CB 4.47Å; I230-L326 HydrophobicContact CG2-CD2 4.26Å; S231-L326 PolarHBondContact N-O 2.63Å; L326-L353 WeakPolarHBondContact CA-O 3.19Å; L326-L353 HydrophobicContact CD1-CB 4.36Å; L326-L353 HydrophobicContact CD1-CD2 4.15Å; L326-L353 HydrophobicContact CD1-CG 4.27Å; L326-T355 HydrophobicContact CD1-CG2 4.07Å; L326-F363 HydrophobicContact CD1-CD1 4.37Å; L326-F363 HydrophobicContact CD1-CE1 3.69Å; L326-F363 HydrophobicContact CD1-CZ 4.07Å; L326-F363 HydrophobicContact CD2-CD1 4.04Å; L326-F363 HydrophobicContact CD2-CD2 4.14Å; L326-F363 HydrophobicContact CD2-CE1 3.75Å; L326-F363 HydrophobicContact CD2-CE2 3.86Å; L326-F363 HydrophobicContact CD2-CG 4.23Å; L326-F363 HydrophobicContact CD2-CZ 3.67Å; L326-F363 HydrophobicContact CG-CD1 4.41Å; L326-F363 HydrophobicContact CG-CE1 3.66Å; L326-F363 HydrophobicContact CG-CE2 4.16Å; L326-F363 HydrophobicContact CG-CZ 3.52Å; L326-Y374 HydrophobicContact CD1-CE1 4.15Å; L326-Y374 HydrophobicContact CD2-CD1 4.46Å; L326-M375 HydrophobicContact CD2-CB 3.67Å; L326-L378 HydrophobicContact CB-CD2 3.69Å; L326-L378 HydrophobicContact CD1-CD2 4.12Å; L326-L378 HydrophobicContact CD2-CD2 3.67Å; L326-L378 HydrophobicContact CG-CD2 4.01Å
327N98.4Very high97.2Very high0 Ų027.5 Ų27.50%016%0.161CC..EExtended strand (participates in β ladder)trans-135.5150.7172.7-77.691.8000111.1V232 W234 F339 L353 L354 T355V232-N327 PolarHBondContact N-ND2 3.19Å; V232-N327 PolarHBondContact O-ND2 2.81Å; W234-N327 PolarHBondContact NE1-OD1 3.3Å; N327-F339 HydrophobicContact CB-CE1 4.05Å; N327-F339 HydrophobicContact CB-CZ 3.94Å; N327-L353 PolarHBondContact N-O 3.07Å; N327-L354 HydrophobicContact CB-CD2 3.85Å; N327-L354 WeakPolarHBondContact O-CA 3.36Å; N327-T355 PolarHBondContact O-N 3.03Å
328A97.5Very high97.1Very high0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-105.4136.4171.900000110.2D330 D331 T355 F363A328-D330 PolarHBondContact O-N 3.49Å; A328-D331 HydrophobicContact CB-CB 4.38Å; A328-D331 VanDerWaalsContact O-CB 3.27Å; A328-D331 WeakPolarHBondContact O-CB 3.17Å; A328-D331 PolarHBondContact O-N 3.48Å; A328-T355 CarbonylContact C-O 3.55Å; A328-T355 WeakPolarHBondContact CA-O 3.47Å; A328-T355 WeakPolarHBondContact CA-OG1 3.3Å; A328-T355 WeakPolarHBondContact CB-OG1 3.36Å; A328-F363 HydrophobicContact CB-CE1 3.92Å; A328-F363 HydrophobicContact CB-CZ 4.1Å
329A96.6Very high97.1Very high26 Ų2622 Ų2222%0.21513%0.131CC..THydrogen-bonded Turntrans-64.9-24.5179.300000113Q336 T355A329-Q336 HydrophobicContact CB-CG 4.21Å; A329-T355 PolarHBondContact N-O 2.98Å
330D95.3Very high97.1Very high38 Ų3821.9 Ų21.920%0.20313%0.13CC..THydrogen-bonded Turntrans-94.611.1177.273.9-10.6000114.7G74 A328 P332 H357 G358 G359G74-D330 VanDerWaalsContact CA-CG 3.49Å; G74-D330 WeakPolarHBondContact CA-O 3.33Å; G74-D330 WeakPolarHBondContact CA-OD2 3.43Å; G74-D330 PolarHBondContact N-OD2 3.47Å; A328-D330 PolarHBondContact O-N 3.49Å; D330-P332 WeakPolarHBondContact O-CD 3.38Å; D330-H357 WeakPolarHBondContact OD1-CA 3.14Å; D330-H357 IonicContact OD2-CE1 3.59Å; D330-H357 IonicContact OD2-CG 3.6Å; D330-H357 IonicContact OD2-ND1 2.93Å; D330-H357 PolarHBondContact OD2-ND1 3.49Å; D330-G358 PolarHBondContact OD1-N 3.27Å; D330-G359 PolarHBondContact OD1-N 3.39Å
331D97.3Very high97.1Very high5 Ų522.8 Ų22.83%0.02713%0.133CC..  trans-68.9117177.8-172.9-20.1000111.6S231 A328 F333 S334 H360S231-D331 WeakPolarHBondContact CB-OD2 3.38Å; A328-D331 HydrophobicContact CB-CB 4.38Å; A328-D331 VanDerWaalsContact O-CB 3.27Å; A328-D331 WeakPolarHBondContact O-CB 3.17Å; A328-D331 PolarHBondContact O-N 3.48Å; D331-F333 PolarHBondContact O-N 3.2Å; D331-F333 WeakPolarHBondContact OD1-CB 3.33Å; D331-F333 PolarHBondContact OD1-N 2.9Å; D331-S334 CarbonylContact O-C 3.6Å; D331-S334 PolarHBondContact O-N 2.86Å; D331-H360 VanDerWaalsContact OD1-CB 3.3Å; D331-H360 WeakPolarHBondContact OD1-CB 3.34Å; D331-H360 IonicContact OD1-CG 3.29Å; D331-H360 IonicContact OD1-ND1 2.94Å; D331-H360 PolarHBondContact OD1-ND1 3Å; D331-H360 VanDerWaalsContact OD1-ND1 3.1Å; D331-H360 IonicContact OD2-CE1 2.96Å; D331-H360 IonicContact OD2-CG 3.92Å; D331-H360 IonicContact OD2-ND1 3.37Å; D331-H360 PolarHBondContact OD2-ND1 3.11Å
332P95.1Very high97.1Very high8 Ų826.2 Ų26.25%0.05216%0.158CC..THydrogen-bonded Turntrans-70.3-12.6-178.927.2-31.1000114.2R75 N248 F252 D330R75-P332 HydrophobicContact CG-CB 4.3Å; R75-P332 HydrophobicContact CG-CG 4.27Å; N248-P332 WeakPolarHBondContact OD1-CB 3.17Å; F252-P332 HydrophobicContact CD2-CG 4.26Å; F252-P332 HydrophobicContact CE2-CB 4.15Å; F252-P332 HydrophobicContact CE2-CG 3.7Å; F252-P332 HydrophobicContact CZ-CG 4.21Å; D330-P332 WeakPolarHBondContact O-CD 3.38Å
333F96.6Very high97Very high30 Ų3028.1 Ų28.113%0.13217%0.167CC..THydrogen-bonded Turntrans-94.6-18.5178.8-68.3-109.3000112.6T78 S239 M243 F252 L256 D331 H360T78-F333 HydrophobicContact CG2-CE2 4.19Å; S239-F333 WeakPolarHBondContact CB-O 3.42Å; S239-F333 PolarHBondContact OG-O 2.81Å; M243-F333 HydrophobicContact CE-CD1 3.87Å; M243-F333 HydrophobicContact CE-CE1 3.41Å; M243-F333 VanDerWaalsContact CE-CE1 3.41Å; M243-F333 HydrophobicContact CE-CE2 4.38Å; M243-F333 HydrophobicContact CE-CZ 3.71Å; M243-F333 HydrophobicContact CG-CD1 4.38Å; M243-F333 HydrophobicContact SD-CB 4.49Å; M243-F333 HydrophobicContact SD-CD1 3.62Å; M243-F333 HydrophobicContact SD-CD2 4Å; M243-F333 HydrophobicContact SD-CE1 3.73Å; M243-F333 HydrophobicContact SD-CE2 4.08Å; M243-F333 HydrophobicContact SD-CG 3.77Å; M243-F333 HydrophobicContact SD-CZ 3.96Å; F252-F333 HydrophobicContact CB-CE2 4.2Å; F252-F333 HydrophobicContact CB-CZ 3.76Å; F252-F333 HydrophobicContact CD1-CE2 4.11Å; F252-F333 HydrophobicContact CD1-CZ 4.18Å; F252-F333 HydrophobicContact CD2-CE2 4.15Å; F252-F333 AromaticContact CG-CE2 3.89Å; F252-F333 HydrophobicContact CG-CE2 3.89Å; F252-F333 AromaticContact CG-CZ 3.92Å; F252-F333 HydrophobicContact CG-CZ 3.92Å; L256-F333 HydrophobicContact CD1-CE1 3.46Å; L256-F333 VanDerWaalsContact CD1-CE1 3.46Å; L256-F333 HydrophobicContact CD1-CZ 3.82Å; D331-F333 PolarHBondContact O-N 3.2Å; D331-F333 WeakPolarHBondContact OD1-CB 3.33Å; D331-F333 PolarHBondContact OD1-N 2.9Å; F333-H360 WeakPolarHBondContact CB-ND1 3.32Å; F333-H360 AromaticContact CD1-CD2 3.97Å; F333-H360 AromaticContact CD1-NE2 3.87Å; F333-H360 HydrophobicContact CD2-CB 3.45Å; F333-H360 VanDerWaalsContact CD2-CB 3.45Å; F333-H360 AromaticContact CD2-CD2 3.61Å; F333-H360 AromaticContact CD2-CG 3.33Å; F333-H360 AromaticContact CD2-ND1 3.78Å; F333-H360 HydrophobicContact CE2-CB 3.83Å; F333-H360 AromaticContact CE2-CD2 3.83Å; F333-H360 AromaticContact CE2-CG 3.87Å; F333-H360 HydrophobicContact CG-CB 4.24Å; F333-H360 AromaticContact CG-CD2 3.69Å; F333-H360 AromaticContact CG-CE1 3.74Å; F333-H360 AromaticContact CG-CG 3.63Å; F333-H360 AromaticContact CG-ND1 3.66Å; F333-H360 AromaticContact CG-NE2 3.79Å
334S96Very high97Very high0 Ų028.1 Ų28.10%017%0.167CC..SBendtrans-135.483.3-176.1-177.70000110.1V232 D331 Q336 F339V232-S334 WeakPolarHBondContact O-CB 3.24Å; V232-S334 PolarHBondContact O-OG 3.19Å; D331-S334 CarbonylContact O-C 3.6Å; D331-S334 PolarHBondContact O-N 2.86Å; S334-Q336 PolarHBondContact O-N 3.05Å; S334-F339 WeakPolarHBondContact O-CE1 3.39Å; S334-F339 WeakPolarHBondContact OG-CE1 3.37Å
335P95.1Very high96.9Very high23 Ų2334.1 Ų34.115%0.14920%0.195CC..  trans-55.9134.9-176.7-25.334.7000112.4S337 T338P335-S337 PolarHBondContact O-N 2.87Å; P335-S337 VanDerWaalsContact O-N 3.08Å; P335-T338 HydrophobicContact CB-CG2 4.2Å; P335-T338 WeakPolarHBondContact O-CB 3.35Å; P335-T338 PolarHBondContact O-N 3.4Å; P335-T338 PolarHBondContact O-OG1 3.32Å
336Q95.3Very high96.8Very high123 Ų12339.3 Ų39.358%0.57523%0.227SC*.G310 helixtrans-54.1-33.6-176.2-175.3-177.1800113.8A329 S334 T338 F339A329-Q336 HydrophobicContact CB-CG 4.21Å; S334-Q336 PolarHBondContact O-N 3.05Å; Q336-T338 PolarHBondContact O-N 3.24Å; Q336-T338 VanDerWaalsContact O-N 3.12Å; Q336-F339 HydrophobicContact CB-CD2 4.48Å; Q336-F339 HydrophobicContact CB-CE2 4.09Å; Q336-F339 HydrophobicContact CB-CZ 4.37Å; Q336-F339 HydrophobicContact CG-CD2 3.96Å; Q336-F339 HydrophobicContact CG-CE2 3.79Å; Q336-F339 WeakPolarHBondContact O-CD2 3.31Å; Q336-F339 WeakPolarHBondContact O-CG 3.49Å; Q336-F339 PolarHBondContact O-N 3.33Å
337S95.5Very high96.7Very high114 Ų11440.1 Ų40.180%0.79723%0.231SC*.G310 helixtrans-64.3-13.7178.956.20000114.1P335P335-S337 PolarHBondContact O-N 2.87Å; P335-S337 VanDerWaalsContact O-N 3.08Å
338T96.3Very high96.6Very high18 Ų1843 Ų4311%0.1125%0.25CS..G310 helixtrans-93.8-7.7-178.868.80000113.5W234 D235 K238 P335 Q336W234-T338 WeakPolarHBondContact CB-O 3.34Å; D235-T338 HydrophobicContact CB-CG2 3.97Å; K238-T338 HydrophobicContact CB-CG2 3.46Å; K238-T338 VanDerWaalsContact CB-CG2 3.46Å; K238-T338 HydrophobicContact CG-CG2 3.99Å; P335-T338 HydrophobicContact CB-CG2 4.2Å; P335-T338 WeakPolarHBondContact O-CB 3.35Å; P335-T338 PolarHBondContact O-N 3.4Å; P335-T338 PolarHBondContact O-OG1 3.32Å; Q336-T338 PolarHBondContact O-N 3.24Å; Q336-T338 VanDerWaalsContact O-N 3.12Å
339F98.1Very high96.7Very high21 Ų2143.6 Ų43.69%0.09225%0.253CS..  trans-63.9130.5-175.4-64.2-12.9000111.1W234 N327 S334 Q336 V341 L352 L354W234-F339 AromaticContact CD1-CD1 3.61Å; N327-F339 HydrophobicContact CB-CE1 4.05Å; N327-F339 HydrophobicContact CB-CZ 3.94Å; S334-F339 WeakPolarHBondContact O-CE1 3.39Å; S334-F339 WeakPolarHBondContact OG-CE1 3.37Å; Q336-F339 HydrophobicContact CB-CD2 4.48Å; Q336-F339 HydrophobicContact CB-CE2 4.09Å; Q336-F339 HydrophobicContact CB-CZ 4.37Å; Q336-F339 HydrophobicContact CG-CD2 3.96Å; Q336-F339 HydrophobicContact CG-CE2 3.79Å; Q336-F339 WeakPolarHBondContact O-CD2 3.31Å; Q336-F339 WeakPolarHBondContact O-CG 3.49Å; Q336-F339 PolarHBondContact O-N 3.33Å; F339-V341 HydrophobicContact CB-CG2 4.05Å; F339-V341 PolarHBondContact O-N 3.47Å; F339-L352 HydrophobicContact CB-CD2 4.38Å; F339-L354 HydrophobicContact CD2-CD1 3.78Å; F339-L354 HydrophobicContact CD2-CD2 3.57Å; F339-L354 HydrophobicContact CD2-CG 4.33Å; F339-L354 HydrophobicContact CE2-CD1 4.29Å; F339-L354 HydrophobicContact CE2-CD2 3.59Å; F339-L354 HydrophobicContact CG-CD2 4.27Å; F339-L354 HydrophobicContact CZ-CD2 4.3Å
340P97.3Very high96.8Very high8 Ų842.4 Ų42.45%0.05224%0.243CC..  trans-80.946.2-174.235.7-39.6000112.3W234 A313 L316 S342 I343 V344W234-P340 HydrophobicContact CD2-CG 3.67Å; W234-P340 HydrophobicContact CE3-CG 3.55Å; W234-P340 HydrophobicContact CG-CG 4.3Å; W234-P340 HydrophobicContact CH2-CG 4.12Å; W234-P340 HydrophobicContact CZ2-CG 4.24Å; W234-P340 HydrophobicContact CZ3-CG 3.8Å; A313-P340 HydrophobicContact CB-CB 4.14Å; L316-P340 HydrophobicContact CD1-CB 4.19Å; L316-P340 HydrophobicContact CD1-CG 3.8Å; P340-S342 VanDerWaalsContact C-N 3.35Å; P340-S342 PolarHBondContact O-N 2.98Å; P340-I343 HydrophobicContact CB-CB 4.24Å; P340-I343 HydrophobicContact CB-CD1 4.27Å; P340-I343 PolarHBondContact O-N 3.12Å; P340-I343 VanDerWaalsContact O-N 3.12Å; P340-V344 HydrophobicContact CG-CG2 4.06Å; P340-V344 WeakPolarHBondContact O-CG2 3.34Å; P340-V344 PolarHBondContact O-N 2.97Å
341V97.8Very high96.9Very high48 Ų4840.6 Ų40.629%0.29123%0.233SC..Hα-helixtrans-54.6-48.8-172.8175.70000111.6I45 F339 I343 V344 Q345 L352 L354I45-V341 HydrophobicContact CG1-CG1 4.36Å; I45-V341 HydrophobicContact CG2-CG1 4.23Å; F339-V341 HydrophobicContact CB-CG2 4.05Å; F339-V341 PolarHBondContact O-N 3.47Å; V341-I343 VanDerWaalsContact C-N 3.33Å; V341-I343 PolarHBondContact O-N 3.16Å; V341-V344 PolarHBondContact O-N 3.49Å; V341-Q345 WeakPolarHBondContact O-CG 3.45Å; V341-Q345 PolarHBondContact O-N 3.36Å; V341-L352 HydrophobicContact CG2-CD2 4.28Å; V341-L354 HydrophobicContact CG2-CD1 4.3Å
342S96.9Very high97Very high85 Ų8540.3 Ų40.359%0.59423%0.232SC*.Hα-helixtrans-64.7-35.9-179.554.50000113P340P340-S342 VanDerWaalsContact C-N 3.35Å; P340-S342 PolarHBondContact O-N 2.98Å
343I97.4Very high97.2Very high43 Ų4340 Ų4022%0.22123%0.23CC..Hα-helixtrans-68.2-51.3176-62.5174.2000109A313 L316 P317 P340 V341 Q345 T346 L347A313-I343 WeakPolarHBondContact O-CD1 3.02Å; L316-I343 HydrophobicContact CB-CG2 4.28Å; P317-I343 HydrophobicContact CG-CG2 3.88Å; P340-I343 HydrophobicContact CB-CB 4.24Å; P340-I343 HydrophobicContact CB-CD1 4.27Å; P340-I343 PolarHBondContact O-N 3.12Å; P340-I343 VanDerWaalsContact O-N 3.12Å; V341-I343 VanDerWaalsContact C-N 3.33Å; V341-I343 PolarHBondContact O-N 3.16Å; I343-Q345 VanDerWaalsContact C-N 3.29Å; I343-Q345 PolarHBondContact O-N 3.44Å; I343-T346 PolarHBondContact O-N 2.88Å; I343-T346 PolarHBondContact O-OG1 3.28Å; I343-L347 HydrophobicContact CG2-CD1 4.03Å; I343-L347 WeakPolarHBondContact O-CG 3.29Å
344V97.9Very high97.2Very high0 Ų039.7 Ų39.70%023%0.229CC..Hα-helixtrans-59.9-37.5-176.4174.20000112.1I45 L316 P340 V341 T346 L347 V350 L352I45-V344 HydrophobicContact CG2-CB 4.37Å; I45-V344 HydrophobicContact CG2-CG1 4.08Å; I45-V344 VanDerWaalsContact O-CG1 3.3Å; I45-V344 WeakPolarHBondContact O-CG1 3.46Å; L316-V344 HydrophobicContact CD1-CG2 3.9Å; P340-V344 HydrophobicContact CG-CG2 4.06Å; P340-V344 WeakPolarHBondContact O-CG2 3.34Å; P340-V344 PolarHBondContact O-N 2.97Å; V341-V344 PolarHBondContact O-N 3.49Å; V344-T346 PolarHBondContact O-N 2.85Å; V344-T346 VanDerWaalsContact O-N 3.11Å; V344-L347 PolarHBondContact O-N 3.47Å; V344-V350 HydrophobicContact CG1-CB 4.5Å; V344-V350 HydrophobicContact CG1-CG1 4.21Å; V344-V350 HydrophobicContact CG2-CG1 4.11Å; V344-L352 HydrophobicContact CB-CB 4.47Å; V344-L352 HydrophobicContact CG1-CB 3.94Å; V344-L352 HydrophobicContact CG2-CB 4.24Å
345Q96.2Very high97.3Very high127 Ų12739.8 Ų39.859%0.59323%0.23SC*.THydrogen-bonded Turntrans-57.8-25175.9-76.6175.4-37.700113.9I45 V341 I343I45-Q345 HydrophobicContact CG2-CG 3.5Å; I45-Q345 VanDerWaalsContact CG2-CG 3.5Å; V341-Q345 WeakPolarHBondContact O-CG 3.45Å; V341-Q345 PolarHBondContact O-N 3.36Å; I343-Q345 VanDerWaalsContact C-N 3.29Å; I343-Q345 PolarHBondContact O-N 3.44Å
346T96.5Very high97.2Very high109 Ų10940.3 Ų40.367%0.66924%0.236SC*.THydrogen-bonded Turntrans-91.2-10.7179.867.70000113.6I343 V344I343-T346 PolarHBondContact O-N 2.88Å; I343-T346 PolarHBondContact O-OG1 3.28Å; V344-T346 PolarHBondContact O-N 2.85Å; V344-T346 VanDerWaalsContact O-N 3.11Å
347L97.7Very high97.1Very high17 Ų1737 Ų379%0.08922%0.221CC..  trans-98.6126.7-173.5-59.9179.6000110.6L316 P317 I343 V344 N349 V350L316-L347 HydrophobicContact CB-CD1 3.81Å; P317-L347 HydrophobicContact CB-CD2 4.15Å; P317-L347 HydrophobicContact CG-CD2 4.43Å; I343-L347 HydrophobicContact CG2-CD1 4.03Å; I343-L347 WeakPolarHBondContact O-CG 3.29Å; V344-L347 PolarHBondContact O-N 3.47Å; L347-N349 VanDerWaalsContact C-N 3.3Å; L347-N349 PolarHBondContact O-N 2.84Å; L347-V350 HydrophobicContact CB-CB 4.09Å; L347-V350 HydrophobicContact CB-CG2 4.1Å; L347-V350 HydrophobicContact CD1-CB 4.16Å; L347-V350 HydrophobicContact CD1-CG2 3.77Å
348P97.3Very high97Very high61 Ų6131.6 Ų31.640%0.39618%0.183SC..THydrogen-bonded Turntrans-72.7-27-179.130.5-35.6000112.5S47 C397S47-P348 PolarHBondContact OG-O 3.35Å; P348-C397 WeakPolarHBondContact CB-O 3.47Å
349N98Very high97Very high12 Ų1230.7 Ų30.76%0.06418%0.178CC..THydrogen-bonded Turntrans-105.65.7-169.966.7-58.8000114.7T319 V321 P322 I323 L347 C397 I399T319-N349 PolarHBondContact O-ND2 3.17Å; T319-N349 PolarHBondContact OG1-ND2 3.19Å; V321-N349 PolarHBondContact O-ND2 3.47Å; P322-N349 CarbonylContact C-O 3.55Å; P322-N349 VanDerWaalsContact CA-O 3.32Å; P322-N349 WeakPolarHBondContact CA-O 3.28Å; I323-N349 PolarHBondContact N-O 3.23Å; L347-N349 VanDerWaalsContact C-N 3.3Å; L347-N349 PolarHBondContact O-N 2.84Å; N349-C397 HydrophobicContact CB-CB 3.79Å; N349-I399 HydrophobicContact CB-CD1 4.06Å
350V98.6Very high96.9Very high0 Ų030.5 Ų30.50%018%0.177CC..EExtended strand (participates in β ladder)trans-122.7132.6-178.8-174.70000110I323 V344 L347I323-V350 HydrophobicContact CB-CG2 4.44Å; I323-V350 CarbonylContact O-C 3.59Å; I323-V350 WeakPolarHBondContact O-CA 3.47Å; V344-V350 HydrophobicContact CG1-CB 4.5Å; V344-V350 HydrophobicContact CG1-CG1 4.21Å; V344-V350 HydrophobicContact CG2-CG1 4.11Å; L347-V350 HydrophobicContact CB-CB 4.09Å; L347-V350 HydrophobicContact CB-CG2 4.1Å; L347-V350 HydrophobicContact CD1-CB 4.16Å; L347-V350 HydrophobicContact CD1-CG2 3.77Å
351A98.7Very high96.8Very high0 Ų031.3 Ų31.30%018%0.18CC..EExtended strand (participates in β ladder)trans-121.6133.5172.900000111L44 I45 C46 F50 L54 I323 L324 C325L44-A351 HydrophobicContact CD1-CB 4.18Å; I45-A351 WeakPolarHBondContact O-CA 3.38Å; C46-A351 HydrophobicContact CB-CB 3.61Å; F50-A351 HydrophobicContact CD1-CB 3.83Å; F50-A351 HydrophobicContact CE1-CB 3.59Å; F50-A351 HydrophobicContact CZ-CB 4.3Å; L54-A351 HydrophobicContact CD1-CB 3.62Å; I323-A351 PolarHBondContact O-N 3.45Å; L324-A351 HydrophobicContact CD1-CB 3.81Å; C325-A351 PolarHBondContact N-O 3.12Å
352L98.8Very high96.7Very high0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-114.6114.3173.917964.8000108.8I45 W234 C325 F339 V341 V344 L354I45-L352 HydrophobicContact CB-CB 4.34Å; I45-L352 WeakPolarHBondContact CD1-O 3.49Å; I45-L352 PolarHBondContact N-O 2.83Å; I45-L352 PolarHBondContact O-N 2.91Å; W234-L352 HydrophobicContact CZ2-CD1 3.89Å; C325-L352 HydrophobicContact CB-CD1 3.85Å; F339-L352 HydrophobicContact CB-CD2 4.38Å; V341-L352 HydrophobicContact CG2-CD2 4.28Å; V344-L352 HydrophobicContact CB-CB 4.47Å; V344-L352 HydrophobicContact CG1-CB 3.94Å; V344-L352 HydrophobicContact CG2-CB 4.24Å; L352-L354 HydrophobicContact CD1-CD2 3.82Å; L352-L354 HydrophobicContact CD2-CD1 4.22Å; L352-L354 HydrophobicContact CD2-CD2 3.95Å; L352-L354 HydrophobicContact CD2-CG 4.18Å; L352-L354 HydrophobicContact CG-CD1 4.49Å; L352-L354 HydrophobicContact CG-CD2 3.71Å; L352-L354 HydrophobicContact CG-CG 3.93Å
353L98.7Very high96.6Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-99.7115.2176-169.467000109P42 A43 L44 V61 L324 C325 L326 N327 Y374 L378P42-L353 HydrophobicContact CB-CD1 3.67Å; P42-L353 HydrophobicContact CB-CG 3.97Å; A43-L353 WeakPolarHBondContact O-CA 3.4Å; L44-L353 HydrophobicContact CB-CD1 4.03Å; L44-L353 HydrophobicContact CD1-CD1 4.07Å; V61-L353 HydrophobicContact CB-CD1 4.08Å; V61-L353 HydrophobicContact CB-CD2 4.31Å; V61-L353 HydrophobicContact CG1-CD2 4.06Å; L324-L353 HydrophobicContact CD1-CB 4.37Å; C325-L353 PolarHBondContact O-N 2.78Å; L326-L353 WeakPolarHBondContact CA-O 3.19Å; L326-L353 HydrophobicContact CD1-CB 4.36Å; L326-L353 HydrophobicContact CD1-CD2 4.15Å; L326-L353 HydrophobicContact CD1-CG 4.27Å; N327-L353 PolarHBondContact N-O 3.07Å; L353-Y374 HydrophobicContact CD2-CE1 4.33Å; L353-L378 HydrophobicContact CD2-CD1 3.62Å; L353-L378 HydrophobicContact CD2-CD2 3.77Å; L353-L378 HydrophobicContact CD2-CG 4.37Å
354L98.1Very high96.3Very high24 Ų2423 Ų2313%0.12613%0.128CC..EExtended strand (participates in β ladder)trans-110.7119.3-176.3-62-178.2000111P42 A43 I45 N327 F339 V341 L352P42-L354 CarbonylContact C-O 3.58Å; P42-L354 VanDerWaalsContact CA-O 3.24Å; P42-L354 WeakPolarHBondContact CA-O 3.35Å; P42-L354 WeakPolarHBondContact CB-O 3.43Å; A43-L354 HydrophobicContact CB-CB 4.34Å; A43-L354 PolarHBondContact N-O 3.01Å; A43-L354 PolarHBondContact O-N 3.5Å; I45-L354 HydrophobicContact CD1-CB 4.4Å; I45-L354 HydrophobicContact CD1-CD1 3.59Å; I45-L354 HydrophobicContact CD1-CG 3.79Å; N327-L354 HydrophobicContact CB-CD2 3.85Å; N327-L354 WeakPolarHBondContact O-CA 3.36Å; F339-L354 HydrophobicContact CD2-CD1 3.78Å; F339-L354 HydrophobicContact CD2-CD2 3.57Å; F339-L354 HydrophobicContact CD2-CG 4.33Å; F339-L354 HydrophobicContact CE2-CD1 4.29Å; F339-L354 HydrophobicContact CE2-CD2 3.59Å; F339-L354 HydrophobicContact CG-CD2 4.27Å; F339-L354 HydrophobicContact CZ-CD2 4.3Å; V341-L354 HydrophobicContact CG2-CD1 4.3Å; L352-L354 HydrophobicContact CD1-CD2 3.82Å; L352-L354 HydrophobicContact CD2-CD1 4.22Å; L352-L354 HydrophobicContact CD2-CD2 3.95Å; L352-L354 HydrophobicContact CD2-CG 4.18Å; L352-L354 HydrophobicContact CG-CD1 4.49Å; L352-L354 HydrophobicContact CG-CD2 3.71Å; L352-L354 HydrophobicContact CG-CG 3.93Å
355T96.7Very high95.9Very high3 Ų325.2 Ų25.22%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-94.9147.816963.50000109.9P42 F65 L326 N327 A328 A329 H357 F363 Y374P42-T355 HydrophobicContact CB-CG2 4.09Å; P42-T355 HydrophobicContact CG-CG2 3.95Å; F65-T355 HydrophobicContact CD1-CG2 4.24Å; L326-T355 HydrophobicContact CD1-CG2 4.07Å; N327-T355 PolarHBondContact O-N 3.03Å; A328-T355 CarbonylContact C-O 3.55Å; A328-T355 WeakPolarHBondContact CA-O 3.47Å; A328-T355 WeakPolarHBondContact CA-OG1 3.3Å; A328-T355 WeakPolarHBondContact CB-OG1 3.36Å; A329-T355 PolarHBondContact N-O 2.98Å; T355-H357 WeakPolarHBondContact CB-O 3.42Å; T355-H357 PolarHBondContact O-N 3.41Å; T355-H357 PolarHBondContact OG1-O 2.73Å; T355-F363 HydrophobicContact CG2-CD1 4.28Å; T355-F363 HydrophobicContact CG2-CE1 4.14Å; T355-F363 WeakPolarHBondContact OG1-CE1 3.32Å; T355-Y374 HydrophobicContact CG2-CE1 4.17Å
356A93.9Very high95.5Very high33 Ų3321.1 Ų21.127%0.27313%0.131SC..SBendtrans-65.8-33.2172.200000111.9E40E40-A356 VanDerWaalsContact OE2-CB 3.29Å; E40-A356 WeakPolarHBondContact OE2-CB 3.32Å
357H93.1Very high95Very high54 Ų5421.2 Ų21.225%0.2513%0.127CC..  trans-131.6155.1-177-68.5-58.3000111F65 P67 D330 T355F65-H357 WeakPolarHBondContact CD1-O 3.21Å; F65-H357 HydrophobicContact CE1-CB 4.28Å; F65-H357 WeakPolarHBondContact CE1-O 3.25Å; P67-H357 HydrophobicContact CB-CB 4.38Å; P67-H357 HydrophobicContact CG-CB 3.49Å; P67-H357 VanDerWaalsContact CG-CB 3.49Å; D330-H357 WeakPolarHBondContact OD1-CA 3.14Å; D330-H357 IonicContact OD2-CE1 3.59Å; D330-H357 IonicContact OD2-CG 3.6Å; D330-H357 IonicContact OD2-ND1 2.93Å; D330-H357 PolarHBondContact OD2-ND1 3.49Å; T355-H357 WeakPolarHBondContact CB-O 3.42Å; T355-H357 PolarHBondContact O-N 3.41Å; T355-H357 PolarHBondContact OG1-O 2.73Å
358G93.7Very high94.4Very high0 Ų029 Ų290%016%0.16CC..  trans161.1-15.5172.700000113.5D330 A362 F363D330-G358 PolarHBondContact OD1-N 3.27Å; G358-A362 WeakPolarHBondContact O-CB 3.36Å; G358-F363 PolarHBondContact O-N 3.12Å
359G95.1Very high93.9Very high0 Ų026.5 Ų26.50%014%0.143CC..THydrogen-bonded Turntrans57-166-173.600000112.9G74 D330G74-G359 VanDerWaalsContact CA-CA 3.43Å; G74-G359 WeakPolarHBondContact O-CA 3.3Å; D330-G359 PolarHBondContact OD1-N 3.39Å
360H96.6Very high93.4Very high17 Ų1733.6 Ų33.68%0.07917%0.17CC..THydrogen-bonded Turntrans-85.9114176.9-16060.8000110.4T78 S205 S231 D331 F333 A362T78-H360 HydrophobicContact CG2-CB 3.76Å; T78-H360 PolarHBondContact OG1-N 3.37Å; S205-H360 WeakPolarHBondContact CB-NE2 3.27Å; S205-H360 PolarHBondContact OG-CE1 3.43Å; S205-H360 PolarHBondContact OG-NE2 2.77Å; S231-H360 PolarHBondContact O-CE1 3.26Å; S231-H360 VanDerWaalsContact O-CE1 3.24Å; D331-H360 VanDerWaalsContact OD1-CB 3.3Å; D331-H360 WeakPolarHBondContact OD1-CB 3.34Å; D331-H360 IonicContact OD1-CG 3.29Å; D331-H360 IonicContact OD1-ND1 2.94Å; D331-H360 PolarHBondContact OD1-ND1 3Å; D331-H360 VanDerWaalsContact OD1-ND1 3.1Å; D331-H360 IonicContact OD2-CE1 2.96Å; D331-H360 IonicContact OD2-CG 3.92Å; D331-H360 IonicContact OD2-ND1 3.37Å; D331-H360 PolarHBondContact OD2-ND1 3.11Å; F333-H360 WeakPolarHBondContact CB-ND1 3.32Å; F333-H360 AromaticContact CD1-CD2 3.97Å; F333-H360 AromaticContact CD1-NE2 3.87Å; F333-H360 HydrophobicContact CD2-CB 3.45Å; F333-H360 VanDerWaalsContact CD2-CB 3.45Å; F333-H360 AromaticContact CD2-CD2 3.61Å; F333-H360 AromaticContact CD2-CG 3.33Å; F333-H360 AromaticContact CD2-ND1 3.78Å; F333-H360 HydrophobicContact CE2-CB 3.83Å; F333-H360 AromaticContact CE2-CD2 3.83Å; F333-H360 AromaticContact CE2-CG 3.87Å; F333-H360 HydrophobicContact CG-CB 4.24Å; F333-H360 AromaticContact CG-CD2 3.69Å; F333-H360 AromaticContact CG-CE1 3.74Å; F333-H360 AromaticContact CG-CG 3.63Å; F333-H360 AromaticContact CG-ND1 3.66Å; F333-H360 AromaticContact CG-NE2 3.79Å; H360-A362 PolarHBondContact O-N 2.93Å; H360-A362 VanDerWaalsContact O-N 3.12Å
361I95.3Very high92.6Very high24 Ų2435.3 Ų35.312%0.12319%0.187CC..THydrogen-bonded Turntrans58.327.5174.3-41.3164.2000112.5C81 Y141 V204 S231 M375C81-I361 PolarHBondContact SG-O 3.25Å; C81-I361 VanDerWaalsContact SG-O 3.35Å; Y141-I361 HydrophobicContact CD1-CG2 3.83Å; Y141-I361 HydrophobicContact CD2-CG2 4.42Å; Y141-I361 HydrophobicContact CE1-CG2 4.47Å; Y141-I361 HydrophobicContact CG-CG2 3.81Å; V204-I361 HydrophobicContact CG1-CB 4.35Å; V204-I361 HydrophobicContact CG1-CD1 3.68Å; V204-I361 HydrophobicContact CG1-CG1 3.68Å; V204-I361 HydrophobicContact CG1-CG2 3.68Å; S231-I361 PolarHBondContact OG-N 3.45Å; I361-M375 HydrophobicContact CG2-CE 3.9Å; I361-M375 HydrophobicContact CG2-SD 4.05Å; I361-M375 WeakPolarHBondContact O-CE 3.32Å
362A94.6Very high92Very high0 Ų038.8 Ų38.80%020%0.203CC..THydrogen-bonded Turntrans-107.5-67.7-175.700000111.6Q77 C81 G358 H360 L364 S373Q77-A362 HydrophobicContact CB-CB 3.91Å; Q77-A362 WeakPolarHBondContact O-CB 3.47Å; C81-A362 HydrophobicContact CB-CB 3.58Å; G358-A362 WeakPolarHBondContact O-CB 3.36Å; H360-A362 PolarHBondContact O-N 2.93Å; H360-A362 VanDerWaalsContact O-N 3.12Å; A362-L364 HydrophobicContact CB-CG 4.09Å; A362-L364 PolarHBondContact O-N 3.19Å; A362-S373 PolarHBondContact O-OG 3.44Å
363F95Very high91.8Very high0 Ų038.9 Ų38.90%020%0.204CC..  trans44.941-179.5-59-89000112.5F65 I230 S231 L326 A328 T355 G358 S373 Y374 M375F65-F363 HydrophobicContact CE2-CB 4.49Å; F65-F363 WeakPolarHBondContact CE2-O 3.17Å; F65-F363 HydrophobicContact CZ-CB 4.37Å; I230-F363 HydrophobicContact CG2-CD2 4.48Å; I230-F363 HydrophobicContact CG2-CE2 3.84Å; S231-F363 WeakPolarHBondContact OG-CE2 3.48Å; L326-F363 HydrophobicContact CD1-CD1 4.37Å; L326-F363 HydrophobicContact CD1-CE1 3.69Å; L326-F363 HydrophobicContact CD1-CZ 4.07Å; L326-F363 HydrophobicContact CD2-CD1 4.04Å; L326-F363 HydrophobicContact CD2-CD2 4.14Å; L326-F363 HydrophobicContact CD2-CE1 3.75Å; L326-F363 HydrophobicContact CD2-CE2 3.86Å; L326-F363 HydrophobicContact CD2-CG 4.23Å; L326-F363 HydrophobicContact CD2-CZ 3.67Å; L326-F363 HydrophobicContact CG-CD1 4.41Å; L326-F363 HydrophobicContact CG-CE1 3.66Å; L326-F363 HydrophobicContact CG-CE2 4.16Å; L326-F363 HydrophobicContact CG-CZ 3.52Å; A328-F363 HydrophobicContact CB-CE1 3.92Å; A328-F363 HydrophobicContact CB-CZ 4.1Å; T355-F363 HydrophobicContact CG2-CD1 4.28Å; T355-F363 HydrophobicContact CG2-CE1 4.14Å; T355-F363 WeakPolarHBondContact OG1-CE1 3.32Å; G358-F363 PolarHBondContact O-N 3.12Å; F363-S373 WeakPolarHBondContact O-CB 3.44Å; F363-S373 PolarHBondContact O-OG 2.93Å; F363-Y374 HydrophobicContact CD1-CD1 4.38Å; F363-Y374 PolarHBondContact O-N 3.15Å; F363-Y374 VanDerWaalsContact O-N 3.16Å; F363-M375 HydrophobicContact CB-CB 4.15Å; F363-M375 HydrophobicContact CD2-CB 3.77Å; F363-M375 HydrophobicContact CD2-CG 4.26Å; F363-M375 HydrophobicContact CD2-SD 3.8Å; F363-M375 HydrophobicContact CE2-CB 4.45Å; F363-M375 HydrophobicContact CE2-SD 4.47Å; F363-M375 HydrophobicContact CG-CB 4.1Å
364L92.8Very high91.6Very high1 Ų139 Ų391%0.00520%0.204CC..  trans-70.3137-170.7-61.9179.2000110.5F65 P67 T68 V80 C81 A362 P369F65-L364 WeakPolarHBondContact CZ-O 3.28Å; P67-L364 CarbonylContact C-O 3.59Å; P67-L364 VanDerWaalsContact CA-O 3.31Å; P67-L364 WeakPolarHBondContact CA-O 3.46Å; T68-L364 PolarHBondContact N-O 2.9Å; V80-L364 HydrophobicContact CB-CD1 4.35Å; V80-L364 HydrophobicContact CG1-CD1 4Å; C81-L364 HydrophobicContact CB-CD1 4.18Å; C81-L364 HydrophobicContact CB-CD2 4.05Å; C81-L364 HydrophobicContact CB-CG 4.36Å; A362-L364 HydrophobicContact CB-CG 4.09Å; A362-L364 PolarHBondContact O-N 3.19Å; L364-P369 HydrophobicContact CB-CB 3.77Å; L364-P369 HydrophobicContact CB-CG 4.19Å; L364-P369 HydrophobicContact CD1-CB 4.44Å; L364-P369 HydrophobicContact CD1-CG 4.14Å; L364-P369 HydrophobicContact CD2-CB 4.03Å; L364-P369 HydrophobicContact CG-CB 4.27Å; L364-P369 HydrophobicContact CG-CG 4.5Å
365Q89.4Confident91.5Very high47 Ų4738 Ų3822%0.2220%0.199CC..BIsolated β-bridgetrans-133.4153-178.664.7-175.1-16.400111.5F65 P369 E372F65-Q365 HydrophobicContact CE2-CB 4.28Å; Q365-P369 WeakPolarHBondContact O-CB 3.3Å; Q365-E372 PolarHBondContact NE2-O 3.26Å
366G87.2Confident91.5Very high42 Ų4238.2 Ų38.243%0.43320%0.2SC..SBendtrans76.6174.4179.700000113.8T68T68-G366 WeakPolarHBondContact CA-O 3.27Å; T68-G366 WeakPolarHBondContact CB-O 3.04Å; T68-G366 VanDerWaalsContact CG2-O 3.27Å; T68-G366 WeakPolarHBondContact CG2-O 2.94Å; T68-G366 PolarHBondContact OG1-O 2.78Å
367L84.8Confident91.6Very high111 Ų11139.7 Ų39.758%0.58120%0.198SC*.SBendtrans-71.5-29-176.6-70.1171.7000113.3P69 W70P69-L367 HydrophobicContact CG-CD2 4.13Å; W70-L367 PolarHBondContact NE1-O 3.29Å
368F86.9Confident91.9Very high180 Ų18037.1 Ų37.179%0.78919%0.186SC*.SBendtrans-129.180.6-178.5-62.3-75.3000110.1R370F368-R370 PolarHBondContact O-N 2.86Å
369P86.5Confident92.1Very high8 Ų837.3 Ų37.35%0.05219%0.187CC..THydrogen-bonded Turntrans-81.658.1-167.637.2-40.5000112.6T68 W70 L364 Q365T68-P369 HydrophobicContact CG2-CG 3.98Å; T68-P369 VanDerWaalsContact OG1-CB 3.32Å; T68-P369 WeakPolarHBondContact OG1-CB 3.43Å; T68-P369 WeakPolarHBondContact OG1-CG 3.4Å; W70-P369 HydrophobicContact CZ2-CG 4.18Å; L364-P369 HydrophobicContact CB-CB 3.77Å; L364-P369 HydrophobicContact CB-CG 4.19Å; L364-P369 HydrophobicContact CD1-CB 4.44Å; L364-P369 HydrophobicContact CD1-CG 4.14Å; L364-P369 HydrophobicContact CD2-CB 4.03Å; L364-P369 HydrophobicContact CG-CB 4.27Å; L364-P369 HydrophobicContact CG-CG 4.5Å; Q365-P369 WeakPolarHBondContact O-CB 3.3Å
370R86.1Confident92.2Very high162 Ų16237.4 Ų37.461%0.61119%0.188SC*.THydrogen-bonded Turntrans-88.7-30.7177.5-68.9-169.9164169.4-2.9113S86 F368S86-R370 WeakPolarHBondContact CB-O 3.42Å; S86-R370 PolarHBondContact N-O 2.84Å; S86-R370 PolarHBondContact OG-O 2.02Å; F368-R370 PolarHBondContact O-N 2.86Å
371G83.6Confident92.3Very high35 Ų3538.1 Ų38.136%0.36119%0.191SC..SBendtrans-92-141.4-172.500000113.4S373G371-S373 PolarHBondContact O-N 3.12Å
372E85.9Confident92.5Very high73 Ų7337 Ų3734%0.34119%0.185SC..  trans-65122.4178.5-163.7177.7162.400111.3Q148 Q365 E376 R377Q148-E372 PolarHBondContact NE2-OE1 3.06Å; Q148-E372 PolarHBondContact NE2-OE2 3.05Å; Q365-E372 PolarHBondContact NE2-O 3.26Å; E372-E376 HydrophobicContact CG-CB 3.47Å; E372-E376 VanDerWaalsContact CG-CB 3.47Å; E372-E376 HydrophobicContact CG-CG 4.32Å; E372-R377 HydrophobicContact CG-CG 3.98Å; E372-R377 WeakPolarHBondContact OE1-CA 3.03Å; E372-R377 WeakPolarHBondContact OE1-CG 2.92Å
373S92.9Very high92.7Very high3 Ų337 Ų372%0.02119%0.186CC..  trans-97.9-179.8176.598.50000110.7A362 F363 G371 M375 E376 R377A362-S373 PolarHBondContact O-OG 3.44Å; F363-S373 WeakPolarHBondContact O-CB 3.44Å; F363-S373 PolarHBondContact O-OG 2.93Å; G371-S373 PolarHBondContact O-N 3.12Å; S373-M375 PolarHBondContact O-N 2.81Å; S373-E376 VanDerWaalsContact CA-OE2 3.32Å; S373-E376 WeakPolarHBondContact CA-OE2 3.01Å; S373-E376 VanDerWaalsContact CB-OE2 3.22Å; S373-E376 WeakPolarHBondContact CB-OE2 3.5Å; S373-E376 PolarHBondContact N-OE2 2.72Å; S373-E376 PolarHBondContact O-N 3.17Å; S373-E376 PolarHBondContact OG-OE2 3.33Å; S373-R377 PolarHBondContact O-N 3.33Å
374Y95.8Very high92.8Very high2 Ų240 Ų401%0.00820%0.199CC..Hα-helixtrans-60.7-35.9-177.7176.6-89000112P42 V60 F65 L326 L353 T355 F363 E376 R377 L378P42-Y374 WeakPolarHBondContact CG-OH 2.98Å; V60-Y374 HydrophobicContact CG2-CD2 3.94Å; V60-Y374 HydrophobicContact CG2-CE2 3.47Å; V60-Y374 VanDerWaalsContact CG2-CE2 3.47Å; V60-Y374 WeakPolarHBondContact O-CE2 2.96Å; V60-Y374 PolarHBondContact O-OH 3.48Å; F65-Y374 HydrophobicContact CB-CD2 4.16Å; F65-Y374 HydrophobicContact CB-CE2 4.27Å; F65-Y374 VanDerWaalsContact CD2-CB 3.49Å; F65-Y374 HydrophobicContact CD2-CD1 4.37Å; F65-Y374 AromaticContact CD2-CD2 3.78Å; F65-Y374 HydrophobicContact CD2-CD2 3.78Å; F65-Y374 AromaticContact CD2-CG 3.62Å; F65-Y374 HydrophobicContact CD2-CG 3.62Å; F65-Y374 HydrophobicContact CE2-CG 4.19Å; F65-Y374 HydrophobicContact CG-CD2 4.31Å; F65-Y374 HydrophobicContact CG-CG 4.26Å; L326-Y374 HydrophobicContact CD1-CE1 4.15Å; L326-Y374 HydrophobicContact CD2-CD1 4.46Å; L353-Y374 HydrophobicContact CD2-CE1 4.33Å; T355-Y374 HydrophobicContact CG2-CE1 4.17Å; F363-Y374 HydrophobicContact CD1-CD1 4.38Å; F363-Y374 PolarHBondContact O-N 3.15Å; F363-Y374 VanDerWaalsContact O-N 3.16Å; Y374-E376 PolarHBondContact O-N 3.36Å; Y374-R377 PolarHBondContact O-N 2.78Å; Y374-L378 WeakPolarHBondContact O-CB 3.09Å; Y374-L378 PolarHBondContact O-N 2.78Å
375M96.2Very high93.1Very high4 Ų440 Ų402%0.0220%0.2CC..Hα-helixtrans-68.2-34.8-179.676.5-175.2-179.600113.1I230 L326 I361 F363 S373 F379I230-M375 HydrophobicContact CD1-CB 4.27Å; I230-M375 HydrophobicContact CG2-CB 4.31Å; I230-M375 HydrophobicContact CG2-SD 4.03Å; L326-M375 HydrophobicContact CD2-CB 3.67Å; I361-M375 HydrophobicContact CG2-CE 3.9Å; I361-M375 HydrophobicContact CG2-SD 4.05Å; I361-M375 WeakPolarHBondContact O-CE 3.32Å; F363-M375 HydrophobicContact CB-CB 4.15Å; F363-M375 HydrophobicContact CD2-CB 3.77Å; F363-M375 HydrophobicContact CD2-CG 4.26Å; F363-M375 HydrophobicContact CD2-SD 3.8Å; F363-M375 HydrophobicContact CE2-CB 4.45Å; F363-M375 HydrophobicContact CE2-SD 4.47Å; F363-M375 HydrophobicContact CG-CB 4.1Å; S373-M375 PolarHBondContact O-N 2.81Å; M375-F379 VanDerWaalsContact O-CB 3.32Å; M375-F379 WeakPolarHBondContact O-CB 3.15Å; M375-F379 PolarHBondContact O-N 2.89Å
376E95.8Very high93.5Very high6 Ų638 Ų383%0.02819%0.191CC..Hα-helixtrans-69.5-39.6176.3-79.480-15900112.2K85 H144 Q148 E372 S373 Y374 F379 G380K85-E376 WeakPolarHBondContact CE-OE1 3.16Å; K85-E376 IonicContact NZ-OE1 3.94Å; K85-E376 PolarHBondContact NZ-OE1 2.76Å; K85-E376 IonicContact NZ-OE2 2.74Å; K85-E376 PolarHBondContact NZ-OE2 2.75Å; H144-E376 HydrophobicContact CB-CG 3.6Å; Q148-E376 HydrophobicContact CG-CB 4.28Å; E372-E376 HydrophobicContact CG-CB 3.47Å; E372-E376 VanDerWaalsContact CG-CB 3.47Å; E372-E376 HydrophobicContact CG-CG 4.32Å; S373-E376 VanDerWaalsContact CA-OE2 3.32Å; S373-E376 WeakPolarHBondContact CA-OE2 3.01Å; S373-E376 VanDerWaalsContact CB-OE2 3.22Å; S373-E376 WeakPolarHBondContact CB-OE2 3.5Å; S373-E376 PolarHBondContact N-OE2 2.72Å; S373-E376 PolarHBondContact O-N 3.17Å; S373-E376 PolarHBondContact OG-OE2 3.33Å; Y374-E376 PolarHBondContact O-N 3.36Å; E376-F379 PolarHBondContact O-N 3.43Å; E376-G380 PolarHBondContact O-N 2.79Å
377R96.5Very high94Very high64 Ų6437 Ų3724%0.24218%0.175CC..Hα-helixtrans-62.2-45.8175.3-69.5178.465.7-152.5-9.5110.6V60 E63 E372 S373 Y374 G380 Q381V60-R377 HydrophobicContact CG2-CB 4.13Å; E63-R377 IonicContact OE1-NH2 3.48Å; E63-R377 PolarHBondContact OE1-NH2 2.76Å; E63-R377 IonicContact OE2-CZ 4Å; E63-R377 IonicContact OE2-NH1 3.72Å; E63-R377 PolarHBondContact OE2-NH1 3.49Å; E63-R377 IonicContact OE2-NH2 2.8Å; E63-R377 PolarHBondContact OE2-NH2 2.75Å; E372-R377 HydrophobicContact CG-CG 3.98Å; E372-R377 WeakPolarHBondContact OE1-CA 3.03Å; E372-R377 WeakPolarHBondContact OE1-CG 2.92Å; S373-R377 PolarHBondContact O-N 3.33Å; Y374-R377 PolarHBondContact O-N 2.78Å; R377-G380 PolarHBondContact O-N 3.4Å; R377-Q381 WeakPolarHBondContact O-CB 3.08Å; R377-Q381 WeakPolarHBondContact O-CG 3.17Å; R377-Q381 PolarHBondContact O-N 3.26Å
378L98.4Very high94.6Very high0 Ų035.6 Ų35.60%017%0.165CC..Hα-helixtrans-57.8-49.6174.4-175.473.8000111.7V60 V61 L324 L326 L353 Y374 Q381 F382V60-L378 HydrophobicContact CG1-CB 4.13Å; V60-L378 HydrophobicContact CG1-CD1 3.6Å; V60-L378 HydrophobicContact CG1-CG 4.47Å; V61-L378 HydrophobicContact CG1-CD1 3.76Å; L324-L378 HydrophobicContact CD2-CD1 3.96Å; L324-L378 HydrophobicContact CD2-CD2 4.39Å; L324-L378 HydrophobicContact CD2-CG 4.16Å; L326-L378 HydrophobicContact CB-CD2 3.69Å; L326-L378 HydrophobicContact CD1-CD2 4.12Å; L326-L378 HydrophobicContact CD2-CD2 3.67Å; L326-L378 HydrophobicContact CG-CD2 4.01Å; L353-L378 HydrophobicContact CD2-CD1 3.62Å; L353-L378 HydrophobicContact CD2-CD2 3.77Å; L353-L378 HydrophobicContact CD2-CG 4.37Å; Y374-L378 WeakPolarHBondContact O-CB 3.09Å; Y374-L378 PolarHBondContact O-N 2.78Å; L378-Q381 PolarHBondContact O-N 2.73Å; L378-F382 VanDerWaalsContact O-CB 3.31Å; L378-F382 WeakPolarHBondContact O-CB 3.27Å; L378-F382 PolarHBondContact O-N 3.42Å
379F98.6Very high95.2Very high5 Ų529.9 Ų29.92%0.02214%0.141CC..Hα-helixtrans-56.7-52.4176.7168.9-89.2000111.5V127 A145 Q148 A149 A202 I228 M375 E376 Q381 F382 V383V127-F379 HydrophobicContact CG1-CE2 4.16Å; V127-F379 HydrophobicContact CG1-CZ 3.92Å; A145-F379 HydrophobicContact CB-CD1 4.25Å; A145-F379 HydrophobicContact CB-CE1 3.92Å; A145-F379 HydrophobicContact CB-CE2 4.27Å; A145-F379 HydrophobicContact CB-CZ 3.91Å; A145-F379 WeakPolarHBondContact O-CE1 3.15Å; Q148-F379 HydrophobicContact CB-CD1 3.86Å; Q148-F379 HydrophobicContact CB-CE1 3.94Å; Q148-F379 HydrophobicContact CG-CD1 4.48Å; A149-F379 HydrophobicContact CB-CE1 4.26Å; A149-F379 HydrophobicContact CB-CZ 4.43Å; A202-F379 HydrophobicContact CB-CD2 4.32Å; A202-F379 HydrophobicContact CB-CE2 3.64Å; I228-F379 HydrophobicContact CD1-CB 4.2Å; I228-F379 HydrophobicContact CD1-CD2 4.36Å; I228-F379 HydrophobicContact CG2-CD2 3.92Å; I228-F379 HydrophobicContact CG2-CE2 4.25Å; M375-F379 VanDerWaalsContact O-CB 3.32Å; M375-F379 WeakPolarHBondContact O-CB 3.15Å; M375-F379 PolarHBondContact O-N 2.89Å; E376-F379 PolarHBondContact O-N 3.43Å; F379-Q381 PolarHBondContact O-N 3.38Å; F379-F382 PolarHBondContact O-N 2.78Å; F379-V383 HydrophobicContact CD1-CG2 4.47Å; F379-V383 HydrophobicContact CD2-CG2 4.03Å; F379-V383 HydrophobicContact CE1-CG2 4.21Å; F379-V383 HydrophobicContact CE2-CG2 3.77Å; F379-V383 HydrophobicContact CG-CG2 4.38Å; F379-V383 HydrophobicContact CZ-CG2 3.88Å; F379-V383 WeakPolarHBondContact O-CB 3.1Å; F379-V383 WeakPolarHBondContact O-CG2 3.37Å; F379-V383 PolarHBondContact O-N 2.67Å
380G98Very high95.6Very high1 Ų132.4 Ų32.41%0.0116%0.157CC..Hα-helixtrans-60.3-46.3-17800000112.7R152 E376 R377 Q384R152-G380 PolarHBondContact NE-O 3.49Å; E376-G380 PolarHBondContact O-N 2.79Å; R377-G380 PolarHBondContact O-N 3.4Å; G380-Q384 VanDerWaalsContact O-CB 3.3Å; G380-Q384 WeakPolarHBondContact O-CB 3.25Å; G380-Q384 PolarHBondContact O-N 2.68Å; G380-Q384 VanDerWaalsContact O-N 3.11Å
381Q98.4Very high96.2Very high32 Ų3231.3 Ų31.315%0.1516%0.157CC..Hα-helixtrans-67.8-42179.4-71.4-174.714.200112.5C58 P59 V60 R377 L378 F379 Q384 A385C58-Q381 HydrophobicContact CB-CB 4.27Å; C58-Q381 VanDerWaalsContact SG-CB 3.53Å; P59-Q381 VanDerWaalsContact N-OE1 3.13Å; V60-Q381 HydrophobicContact CG1-CB 4.3Å; V60-Q381 HydrophobicContact CG1-CG 4.43Å; R377-Q381 WeakPolarHBondContact O-CB 3.08Å; R377-Q381 WeakPolarHBondContact O-CG 3.17Å; R377-Q381 PolarHBondContact O-N 3.26Å; L378-Q381 PolarHBondContact O-N 2.73Å; F379-Q381 PolarHBondContact O-N 3.38Å; Q381-Q384 PolarHBondContact O-N 2.74Å; Q381-A385 WeakPolarHBondContact O-CB 3.25Å; Q381-A385 PolarHBondContact O-N 2.92Å
382F98.8Very high96.8Very high0 Ų032.5 Ų32.50%016%0.155CC..Hα-helixtrans-68.2-43.8179.6-179.1-107000112.3F50 L54 L200 G227 I228 L324 L378 F379 Q384 A385 V386 I393F50-F382 HydrophobicContact CZ-CE2 4.35Å; L54-F382 HydrophobicContact CD2-CD2 3.84Å; L54-F382 HydrophobicContact CD2-CE2 3.94Å; L200-F382 HydrophobicContact CD1-CE1 4.44Å; G227-F382 WeakPolarHBondContact O-CE1 3.35Å; I228-F382 HydrophobicContact CB-CD1 3.82Å; I228-F382 HydrophobicContact CB-CE1 4.01Å; I228-F382 HydrophobicContact CD1-CB 4.26Å; I228-F382 HydrophobicContact CD1-CD1 4.06Å; I228-F382 HydrophobicContact CD1-CG 4.48Å; I228-F382 HydrophobicContact CG1-CD1 4.24Å; L324-F382 HydrophobicContact CB-CD1 4.17Å; L324-F382 HydrophobicContact CB-CD2 3.97Å; L324-F382 HydrophobicContact CB-CE1 3.91Å; L324-F382 HydrophobicContact CB-CE2 3.71Å; L324-F382 HydrophobicContact CB-CG 4.18Å; L324-F382 HydrophobicContact CB-CZ 3.67Å; L324-F382 HydrophobicContact CD2-CB 3.83Å; L324-F382 HydrophobicContact CD2-CD1 4.26Å; L324-F382 HydrophobicContact CD2-CD2 3.53Å; L324-F382 HydrophobicContact CD2-CE2 4.13Å; L324-F382 HydrophobicContact CD2-CG 3.59Å; L324-F382 HydrophobicContact CG-CD2 4.4Å; L378-F382 VanDerWaalsContact O-CB 3.31Å; L378-F382 WeakPolarHBondContact O-CB 3.27Å; L378-F382 PolarHBondContact O-N 3.42Å; F379-F382 PolarHBondContact O-N 2.78Å; F382-Q384 VanDerWaalsContact C-N 3.26Å; F382-Q384 PolarHBondContact O-N 2.83Å; F382-A385 PolarHBondContact O-N 3.44Å; F382-V386 HydrophobicContact CD1-CG2 4.31Å; F382-V386 HydrophobicContact CD2-CG2 4.47Å; F382-V386 HydrophobicContact CE1-CG2 3.9Å; F382-V386 HydrophobicContact CE2-CG2 4.07Å; F382-V386 HydrophobicContact CZ-CG2 3.77Å; F382-V386 WeakPolarHBondContact O-CG2 3.26Å; F382-V386 PolarHBondContact O-N 3.39Å; F382-I393 HydrophobicContact CE2-CD1 4.16Å; F382-I393 HydrophobicContact CZ-CD1 4.4Å
383V98.4Very high97.4Very high1 Ų129.2 Ų29.21%0.00614%0.14CC..Hα-helixtrans-58.8-43.1175.81730000110.5V127 Y154 L200 F379 V386 F387V127-V383 HydrophobicContact CG2-CG1 3.68Å; Y154-V383 HydrophobicContact CD2-CG1 3.7Å; Y154-V383 HydrophobicContact CE2-CG1 3.6Å; L200-V383 HydrophobicContact CD1-CB 4.39Å; L200-V383 HydrophobicContact CD1-CG1 4.48Å; L200-V383 HydrophobicContact CD1-CG2 4.05Å; L200-V383 HydrophobicContact CD2-CG2 3.9Å; F379-V383 HydrophobicContact CD1-CG2 4.47Å; F379-V383 HydrophobicContact CD2-CG2 4.03Å; F379-V383 HydrophobicContact CE1-CG2 4.21Å; F379-V383 HydrophobicContact CE2-CG2 3.77Å; F379-V383 HydrophobicContact CG-CG2 4.38Å; F379-V383 HydrophobicContact CZ-CG2 3.88Å; F379-V383 WeakPolarHBondContact O-CB 3.1Å; F379-V383 WeakPolarHBondContact O-CG2 3.37Å; F379-V383 PolarHBondContact O-N 2.67Å; V383-V386 PolarHBondContact O-N 3.45Å; V383-F387 HydrophobicContact CG1-CD2 3.77Å; V383-F387 HydrophobicContact CG1-CE2 3.53Å; V383-F387 WeakPolarHBondContact O-CD2 3.42Å; V383-F387 PolarHBondContact O-N 2.86Å
384Q98.4Very high97.6Very high62 Ų6233.2 Ų33.229%0.2916%0.158SC..Hα-helixtrans-61.5-48.9175.6-172.1173.1-7.100112.3Y154 G380 Q381 F382 V386 F387 E388Y154-Q384 WeakPolarHBondContact OH-CA 3.28Å; G380-Q384 VanDerWaalsContact O-CB 3.3Å; G380-Q384 WeakPolarHBondContact O-CB 3.25Å; G380-Q384 PolarHBondContact O-N 2.68Å; G380-Q384 VanDerWaalsContact O-N 3.11Å; Q381-Q384 PolarHBondContact O-N 2.74Å; F382-Q384 VanDerWaalsContact C-N 3.26Å; F382-Q384 PolarHBondContact O-N 2.83Å; Q384-V386 VanDerWaalsContact C-N 3.29Å; Q384-V386 PolarHBondContact O-N 2.84Å; Q384-F387 PolarHBondContact O-N 3.38Å; Q384-E388 HydrophobicContact CG-CG 4.16Å; Q384-E388 WeakPolarHBondContact CG-OE1 3.36Å; Q384-E388 WeakPolarHBondContact CG-OE2 3.05Å; Q384-E388 PolarHBondContact NE2-OE1 3.3Å; Q384-E388 PolarHBondContact NE2-OE2 3.05Å; Q384-E388 WeakPolarHBondContact O-CB 3.16Å; Q384-E388 PolarHBondContact O-N 3Å
385A98.5Very high97.6Very high2 Ų241.6 Ų41.62%0.01719%0.19CC..Hα-helixtrans-57.8-40.8179.500000112.5F53 H57 Q381 F382 H389F53-A385 HydrophobicContact CE1-CB 4.1Å; F53-A385 HydrophobicContact CZ-CB 3.96Å; H57-A385 HydrophobicContact CB-CB 3.66Å; Q381-A385 WeakPolarHBondContact O-CB 3.25Å; Q381-A385 PolarHBondContact O-N 2.92Å; F382-A385 PolarHBondContact O-N 3.44Å; A385-H389 WeakPolarHBondContact O-CA 3.47Å; A385-H389 WeakPolarHBondContact O-CB 3.42Å; A385-H389 PolarHBondContact O-N 2.94Å
386V98.3Very high97.6Very high4 Ų442 Ų422%0.02419%0.194CC..Hα-helixtrans-64.1-48178.3171.70000111.5L200 V225 A226 F382 V383 Q384 I393L200-V386 HydrophobicContact CD1-CB 3.89Å; L200-V386 HydrophobicContact CD1-CG1 4Å; L200-V386 HydrophobicContact CD1-CG2 3.89Å; V225-V386 HydrophobicContact CG2-CG1 3.97Å; A226-V386 HydrophobicContact CB-CB 4.37Å; A226-V386 HydrophobicContact CB-CG1 3.69Å; A226-V386 HydrophobicContact CB-CG2 3.72Å; F382-V386 HydrophobicContact CD1-CG2 4.31Å; F382-V386 HydrophobicContact CD2-CG2 4.47Å; F382-V386 HydrophobicContact CE1-CG2 3.9Å; F382-V386 HydrophobicContact CE2-CG2 4.07Å; F382-V386 HydrophobicContact CZ-CG2 3.77Å; F382-V386 WeakPolarHBondContact O-CG2 3.26Å; F382-V386 PolarHBondContact O-N 3.39Å; V383-V386 PolarHBondContact O-N 3.45Å; Q384-V386 VanDerWaalsContact C-N 3.29Å; Q384-V386 PolarHBondContact O-N 2.84Å; V386-I393 HydrophobicContact CG2-CD1 3.76Å
387F98.1Very high97.7Very high22 Ų2241.8 Ų41.810%0.09619%0.193CC..Hα-helixtrans-78.5-32.1-174.1-65.1-38.2000113.4P125 V127 Y154 P198 L200 V225 V383 Q384P125-F387 HydrophobicContact CB-CB 4.28Å; P125-F387 HydrophobicContact CB-CD1 3.82Å; P125-F387 HydrophobicContact CB-CD2 3.48Å; P125-F387 VanDerWaalsContact CB-CD2 3.48Å; P125-F387 HydrophobicContact CB-CE1 3.9Å; P125-F387 HydrophobicContact CB-CE2 3.55Å; P125-F387 HydrophobicContact CB-CG 3.61Å; P125-F387 HydrophobicContact CB-CZ 3.76Å; P125-F387 HydrophobicContact CG-CB 4.25Å; P125-F387 HydrophobicContact CG-CD1 4.47Å; P125-F387 HydrophobicContact CG-CD2 4.29Å; P125-F387 HydrophobicContact CG-CG 4.12Å; V127-F387 HydrophobicContact CG2-CE2 3.85Å; V127-F387 HydrophobicContact CG2-CZ 4.29Å; Y154-F387 AromaticContact CD1-CD2 3.95Å; Y154-F387 HydrophobicContact CD1-CD2 3.95Å; Y154-F387 HydrophobicContact CD1-CE2 4.36Å; Y154-F387 HydrophobicContact CD2-CD2 4.1Å; Y154-F387 HydrophobicContact CD2-CE2 4.2Å; Y154-F387 HydrophobicContact CE1-CB 4.33Å; Y154-F387 AromaticContact CE1-CD2 3.78Å; Y154-F387 HydrophobicContact CE1-CD2 3.78Å; Y154-F387 AromaticContact CE2-CD2 3.95Å; Y154-F387 HydrophobicContact CE2-CD2 3.95Å; Y154-F387 HydrophobicContact CE2-CE2 4.45Å; Y154-F387 HydrophobicContact CG-CD2 4.13Å; Y154-F387 HydrophobicContact CG-CE2 4.18Å; Y154-F387 AromaticContact CZ-CD2 3.82Å; P198-F387 HydrophobicContact CB-CD1 4.26Å; P198-F387 HydrophobicContact CB-CE1 4.1Å; P198-F387 HydrophobicContact CG-CD1 4.06Å; P198-F387 HydrophobicContact CG-CE1 4.15Å; L200-F387 HydrophobicContact CB-CE1 3.87Å; L200-F387 HydrophobicContact CB-CE2 4.38Å; L200-F387 HydrophobicContact CB-CZ 3.5Å; L200-F387 VanDerWaalsContact CB-CZ 3.5Å; V225-F387 HydrophobicContact CG2-CE1 4.14Å; V383-F387 HydrophobicContact CG1-CD2 3.77Å; V383-F387 HydrophobicContact CG1-CE2 3.53Å; V383-F387 WeakPolarHBondContact O-CD2 3.42Å; V383-F387 PolarHBondContact O-N 2.86Å; Q384-F387 PolarHBondContact O-N 3.38Å
388E97.4Very high97.5Very high82 Ų8241.8 Ų41.838%0.38321%0.213SC..Hα-helixtrans-87.2-23.6-179.4-66-180-176.800112.8Q384 P390Q384-E388 HydrophobicContact CG-CG 4.16Å; Q384-E388 WeakPolarHBondContact CG-OE1 3.36Å; Q384-E388 WeakPolarHBondContact CG-OE2 3.05Å; Q384-E388 PolarHBondContact NE2-OE1 3.3Å; Q384-E388 PolarHBondContact NE2-OE2 3.05Å; Q384-E388 WeakPolarHBondContact O-CB 3.16Å; Q384-E388 PolarHBondContact O-N 3Å; E388-P390 VanDerWaalsContact C-CD 3.41Å
389H97.8Very high96.9Very high59 Ų5944.5 Ų44.527%0.27323%0.226SC..  trans-130.152.6-178.2-52.6-73.4000113.8F53 H57 A385 K391 D392 I393F53-H389 HydrophobicContact CE2-CB 3.98Å; F53-H389 HydrophobicContact CZ-CB 4.33Å; H57-H389 AromaticContact CE1-CD2 3.53Å; H57-H389 AromaticContact CE1-CE1 3.55Å; H57-H389 AromaticContact CE1-CG 3.6Å; H57-H389 AromaticContact CE1-ND1 3.62Å; H57-H389 AromaticContact CE1-NE2 3.44Å; H57-H389 PolarHBondContact CE1-NE2 2.84Å; H57-H389 AromaticContact CG-CD2 3.77Å; H57-H389 AromaticContact ND1-CD2 3.05Å; H57-H389 PolarHBondContact ND1-CD2 3.49Å; H57-H389 AromaticContact ND1-CE1 3.66Å; H57-H389 AromaticContact ND1-CG 3.6Å; H57-H389 AromaticContact ND1-ND1 3.94Å; H57-H389 AromaticContact ND1-NE2 3.06Å; H57-H389 PolarHBondContact ND1-NE2 2.92Å; A385-H389 WeakPolarHBondContact O-CA 3.47Å; A385-H389 WeakPolarHBondContact O-CB 3.42Å; A385-H389 PolarHBondContact O-N 2.94Å; H389-K391 PolarHBondContact O-N 3.1Å; H389-D392 HydrophobicContact CB-CB 4.15Å; H389-D392 PolarHBondContact O-N 3.45Å; H389-I393 PolarHBondContact O-N 3.06Å; H389-I393 VanDerWaalsContact O-N 3.16Å
390P96.9Very high95.6Very high62 Ų6246.9 Ų46.940%0.40325%0.247SC..Hα-helixtrans-61.9-41.6-173.824.2-34.3000113.2E388 D392 I393 E394E388-P390 VanDerWaalsContact C-CD 3.41Å; P390-D392 VanDerWaalsContact C-N 3.33Å; P390-D392 PolarHBondContact O-N 3.37Å; P390-I393 VanDerWaalsContact O-CG2 3.23Å; P390-I393 WeakPolarHBondContact O-CG2 3.4Å; P390-I393 PolarHBondContact O-N 2.96Å; P390-E394 WeakPolarHBondContact O-CB 3.43Å; P390-E394 VanDerWaalsContact O-CG 3.27Å; P390-E394 WeakPolarHBondContact O-CG 3.45Å; P390-E394 PolarHBondContact O-N 3.34Å
391K96.9Very high93.6Very high139 Ų13956.1 Ų56.160%0.60429%0.287SS*.Hα-helixtrans-66.4-35.6179.2-64.7-169.1176.6-164.60112.7H389 R395H389-K391 PolarHBondContact O-N 3.1Å; K391-R395 WeakPolarHBondContact O-CB 3.36Å; K391-R395 PolarHBondContact O-N 3.44Å; K391-R395 VanDerWaalsContact O-N 3.08Å
392D97.6Very high90.8Very high60 Ų6062.5 Ų62.532%0.32132%0.322SS..Hα-helixtrans-71.4-41.8-178.3-69.9-9.1000110.7F53 H57 H389 P390 R395 A396F53-D392 HydrophobicContact CD2-CB 3.9Å; F53-D392 HydrophobicContact CE2-CB 3.76Å; H57-D392 IonicContact NE2-OD2 2.85Å; H389-D392 HydrophobicContact CB-CB 4.15Å; H389-D392 PolarHBondContact O-N 3.45Å; P390-D392 VanDerWaalsContact C-N 3.33Å; P390-D392 PolarHBondContact O-N 3.37Å; D392-R395 PolarHBondContact O-N 2.93Å; D392-A396 VanDerWaalsContact O-CB 3.28Å; D392-A396 WeakPolarHBondContact O-CB 3.29Å; D392-A396 PolarHBondContact O-N 2.65Å
393I97.7Very high88.2Confident4 Ų470 Ų702%0.02136%0.357CS..Hα-helixtrans-70.1-38.6177.4-163.7174.5000112.1F50 F53 P322 F382 V386 H389 P390 R395 A396 C397F50-I393 HydrophobicContact CE2-CD1 4.02Å; F50-I393 HydrophobicContact CE2-CG1 3.98Å; F50-I393 HydrophobicContact CZ-CD1 4.46Å; F53-I393 HydrophobicContact CD1-CB 4.28Å; F53-I393 HydrophobicContact CD1-CD1 4.32Å; F53-I393 HydrophobicContact CD1-CG1 3.98Å; F53-I393 HydrophobicContact CD2-CB 4.31Å; F53-I393 HydrophobicContact CE1-CB 3.79Å; F53-I393 HydrophobicContact CE1-CD1 3.69Å; F53-I393 HydrophobicContact CE1-CG1 3.68Å; F53-I393 HydrophobicContact CE2-CB 3.82Å; F53-I393 HydrophobicContact CZ-CB 3.55Å; F53-I393 HydrophobicContact CZ-CD1 4.18Å; F53-I393 HydrophobicContact CZ-CG1 4.01Å; P322-I393 HydrophobicContact CB-CD1 3.48Å; P322-I393 VanDerWaalsContact CB-CD1 3.48Å; P322-I393 HydrophobicContact CB-CG1 3.81Å; P322-I393 HydrophobicContact CG-CD1 3.89Å; P322-I393 HydrophobicContact CG-CG1 3.83Å; P322-I393 HydrophobicContact CG-CG2 4.41Å; F382-I393 HydrophobicContact CE2-CD1 4.16Å; F382-I393 HydrophobicContact CZ-CD1 4.4Å; V386-I393 HydrophobicContact CG2-CD1 3.76Å; H389-I393 PolarHBondContact O-N 3.06Å; H389-I393 VanDerWaalsContact O-N 3.16Å; P390-I393 VanDerWaalsContact O-CG2 3.23Å; P390-I393 WeakPolarHBondContact O-CG2 3.4Å; P390-I393 PolarHBondContact O-N 2.96Å; I393-R395 VanDerWaalsContact C-N 3.34Å; I393-R395 PolarHBondContact O-N 3.44Å; I393-A396 PolarHBondContact O-N 2.89Å; I393-C397 VanDerWaalsContact O-CB 3.31Å; I393-C397 WeakPolarHBondContact O-CB 3.33Å; I393-C397 PolarHBondContact O-N 3.26Å; I393-C397 PolarHBondContact O-SG 3.47Å
394E96.6Very high85.5Confident86 Ų8675.8 Ų75.840%0.40240%0.395SS..Hα-helixtrans-60.6-44.3174.8-76.9174.4173.100111.4P390 C397 G398 I399 A400P390-E394 WeakPolarHBondContact O-CB 3.43Å; P390-E394 VanDerWaalsContact O-CG 3.27Å; P390-E394 WeakPolarHBondContact O-CG 3.45Å; P390-E394 PolarHBondContact O-N 3.34Å; E394-C397 PolarHBondContact O-N 2.94Å; E394-G398 PolarHBondContact O-N 2.77Å; E394-I399 PolarHBondContact O-N 3.46Å; E394-A400 PolarHBondContact O-N 3.11Å
395R96.8Very high82.5Confident179 Ų17977.8 Ų77.868%0.67542%0.416SS*.Hα-helixtrans-63.7-46.9174.8-174.1-175.2-61.1174.71.3111.5K391 D392 I393 C397 G398K391-R395 WeakPolarHBondContact O-CB 3.36Å; K391-R395 PolarHBondContact O-N 3.44Å; K391-R395 VanDerWaalsContact O-N 3.08Å; D392-R395 PolarHBondContact O-N 2.93Å; I393-R395 VanDerWaalsContact C-N 3.34Å; I393-R395 PolarHBondContact O-N 3.44Å; R395-C397 PolarHBondContact O-N 3.5Å; R395-G398 PolarHBondContact O-N 2.94Å; R395-G398 VanDerWaalsContact O-N 3.13Å
396A96.7Very high79.6Confident12 Ų1286.7 Ų86.710%0.09946%0.457CS..Hα-helixtrans-61.9-31.1-179.600000112.8A49 F53 D392 I393A49-A396 WeakPolarHBondContact CB-O 3.38Å; F53-A396 HydrophobicContact CB-CB 3.75Å; F53-A396 HydrophobicContact CG-CB 4.28Å; D392-A396 VanDerWaalsContact O-CB 3.28Å; D392-A396 WeakPolarHBondContact O-CB 3.29Å; D392-A396 PolarHBondContact O-N 2.65Å; I393-A396 PolarHBondContact O-N 2.89Å
397C96.5Very high76.6Confident1 Ų194.9 Ų94.91%0.00750%0.495CS..THydrogen-bonded Turntrans-91.41.1178.8-64.90000114P322 P348 N349 I393 E394 R395 I399P322-C397 HydrophobicContact CG-CB 4.21Å; P348-C397 WeakPolarHBondContact CB-O 3.47Å; N349-C397 HydrophobicContact CB-CB 3.79Å; I393-C397 VanDerWaalsContact O-CB 3.31Å; I393-C397 WeakPolarHBondContact O-CB 3.33Å; I393-C397 PolarHBondContact O-N 3.26Å; I393-C397 PolarHBondContact O-SG 3.47Å; E394-C397 PolarHBondContact O-N 2.94Å; R395-C397 PolarHBondContact O-N 3.5Å; C397-I399 VanDerWaalsContact C-N 3.28Å; C397-I399 HydrophobicContact CB-CD1 3.56Å; C397-I399 HydrophobicContact CB-CG1 3.86Å; C397-I399 PolarHBondContact O-N 2.96Å
398G91.9Very high73.8Confident64 Ų64102.8 Ų102.866%0.6653%0.532SS*.THydrogen-bonded Turntrans65.728.2-177.500000114.1E394 R395E394-G398 PolarHBondContact O-N 2.77Å; R395-G398 PolarHBondContact O-N 2.94Å; R395-G398 VanDerWaalsContact O-N 3.13Å
399I87Confident71Confident57 Ų57104.5 Ų104.529%0.29255%0.553SS.*  trans-97.6-15.1-177.9-60.7169000111.4P322 N349 E394 C397 K401P322-I399 VanDerWaalsContact CD-CD1 3.48Å; P322-I399 HydrophobicContact CG-CD1 3.81Å; N349-I399 HydrophobicContact CB-CD1 4.06Å; E394-I399 PolarHBondContact O-N 3.46Å; C397-I399 VanDerWaalsContact C-N 3.28Å; C397-I399 HydrophobicContact CB-CD1 3.56Å; C397-I399 HydrophobicContact CB-CG1 3.86Å; C397-I399 PolarHBondContact O-N 2.96Å; I399-K401 PolarHBondContact O-N 3.34Å
400A70.2Confident68.3Low56 Ų56109.2 Ų109.246%0.46358%0.58SS.*  trans-54.3128.4-177.700000111.7E394E394-A400 PolarHBondContact O-N 3.11Å
401K56Low65.5Low195 Ų195109.7 Ų109.785%0.84860%0.597SS**  trans-75.1131.4166-65.5178.8179.9177.60107.3I399 E403I399-K401 PolarHBondContact O-N 3.34Å; K401-E403 PolarHBondContact O-N 3.22Å
402D41.4Very low62.6Low165 Ų165106.4 Ų106.488%0.88260%0.602SS**  trans-51.3111.2173.3-67.9-44.4000109.5
403E43.2Very low59.8Low158 Ų158113 Ų11374%0.73863%0.631SS**PPolyproline II helixtrans-73135.8161.7-83.8-175.9173.400107.3K401 S405K401-E403 PolarHBondContact O-N 3.22Å; E403-S405 PolarHBondContact O-N 3.07Å; E403-S405 VanDerWaalsContact O-N 3.12Å
404P41.2Very low57.1Low123 Ų123122 Ų12280%0.79967%0.67SS**PPolyproline II helixtrans-60.5122.1175.824.2-30.2000108.2Q406P404-Q406 PolarHBondContact O-N 2.71Å
405S36.1Very low54.7Low103 Ų103124.1 Ų124.172%0.7269%0.691SS**PPolyproline II helixtrans-50116.3174.438.40000109.3E403 Q407E403-S405 PolarHBondContact O-N 3.07Å; E403-S405 VanDerWaalsContact O-N 3.12Å; S405-Q407 PolarHBondContact O-N 3.15Å
406Q37.2Very low52.1Low190 Ų190121 Ų12189%0.88870%0.697SS**  trans-61.695.5162.2-79.3-176.7-13.500106.8P404 H408P404-Q406 PolarHBondContact O-N 2.71Å; Q406-H408 PolarHBondContact O-N 3.38Å; Q406-H408 VanDerWaalsContact O-N 3.12Å
407Q36.4Very low49.5Very low176 Ų176131.9 Ų131.982%0.82274%0.735SS**  trans-58.2115.1164.7-80.3179.3-15.600107.1S405 S409S405-Q407 PolarHBondContact O-N 3.15Å; Q407-S409 PolarHBondContact O-N 3.06Å
408H39Very low47.1Very low187 Ų187139.7 Ų139.787%0.86678%0.777SS**  trans-52.3107.2159.9-87.5-8.8000108.7Q406 D410Q406-H408 PolarHBondContact O-N 3.38Å; Q406-H408 VanDerWaalsContact O-N 3.12Å; H408-D410 VanDerWaalsContact C-N 3.25Å; H408-D410 PolarHBondContact O-N 3.02Å; H408-D410 VanDerWaalsContact O-N 3.15Å
409S38.3Very low44.9Very low118 Ų118143 Ų14383%0.82579%0.785SS**  trans-7884158.458.80000107.7Q407 G411Q407-S409 PolarHBondContact O-N 3.06Å; S409-G411 VanDerWaalsContact C-N 3.26Å; S409-G411 PolarHBondContact O-N 3.48Å; S409-G411 VanDerWaalsContact O-N 3.09Å
410D41.5Very low42.9Very low158 Ų158147.5 Ų147.585%0.84581%0.809SS**  trans-75.985.6163.7-158.410.3000107.4H408H408-D410 VanDerWaalsContact C-N 3.25Å; H408-D410 PolarHBondContact O-N 3.02Å; H408-D410 VanDerWaalsContact O-N 3.15Å
411G37.7Very low41.6Very low73 Ų73149.9 Ų149.975%0.75382%0.822SS**  trans-98.990.9175.300000109.2S409S409-G411 VanDerWaalsContact C-N 3.26Å; S409-G411 PolarHBondContact O-N 3.48Å; S409-G411 VanDerWaalsContact O-N 3.09Å
412G34.8Very low41Very low70 Ų70153.4 Ų153.472%0.72284%0.842SS**  trans-56.5144.3-176.800000115.2
413E38.8Very low41Very low198 Ų198152.9 Ų152.993%0.92584%0.84SS**  trans-57.1139.8167.7-76.3176.5132.800112.6
414K41.2Very low40.8Very low193 Ų193152.6 Ų152.684%0.83985%0.845SS**  trans-127.4124.6150.2-101.2-175178.6178.50108.4
415P46.3Very low40.8Very low130 Ų130154.2 Ų154.284%0.84485%0.848SS**PPolyproline II helixtrans-83.3123.2170.731.5-27.7000109.3
416S42.6Very low41.1Very low115 Ų115157.2 Ų157.280%0.80486%0.855SS**PPolyproline II helixtrans-103.7124173-51.60000108.9
417R43Very low41.3Very low239 Ų239155.2 Ų155.290%0.90285%0.853SS**PPolyproline II helixtrans-62.6143.9-176.6-69.4169.5170.3171.7-4.6112.8V419R417-V419 PolarHBondContact O-N 2.8Å
418D45.7Very low41.7Very low165 Ų165153.8 Ų153.888%0.88286%0.855SS**PPolyproline II helixtrans-52.3126.8156.3-73.3-48000111.5
419V45.6Very low41.9Very low135 Ų135151.4 Ų151.482%0.81886%0.855SS**  trans-144.4108.1148.9-177.20000109R417R417-V419 PolarHBondContact O-N 2.8Å
420N44.8Very low42.1Very low150 Ų150154 Ų15480%0.80286%0.857SS**  trans13.7140.9143.6-103-10.4000121.7
421S43.4Very low42.2Very low106 Ų106153.7 Ų153.774%0.74186%0.858SS**  105.4126.6127.969.80000120.3
422Q42.3Very low42.6Very low270 Ų270161 Ų161100%1.26287%0.867SS**  trans91.30164.1-62.5-169.8-6.500118.3

Retrieved 422 of 422 residues in 1364.2 ms (Link to these results)

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