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Cytochrome P450 1A

Cytochromes P450 are a group of heme-thiolate monooxygenases. They oxidize a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

AlphaFold DB , UniProt , Accession A0A096NMR5, Species PAPAN (Papio anubis, Olive baboon), Gene CYP1A2, Length 516 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
1M51.6Low60.6Low238 Ų238127.4 Ų127.4100%1.17275%0.749SS**  0105.30-161.5177.6-176.100107.7
2A40.4Very low62.6Low105 Ų105124.8 Ų124.887%0.86874%0.736SS**  trans-166.986.1160.600000106.1
3L48.4Very low64.5Low154 Ų154123.2 Ų123.281%0.80672%0.717SS**  trans-71.6140.3177.8-85145.9000110.4
4S54.5Low66.1Low102 Ų102121.6 Ų121.671%0.71370%0.704SS**  trans6.5108.7156.262.40000117.9S6S4-S6 PolarHBondContact O-N 3.24Å
5Q48Very low67.6Low194 Ų194121.7 Ų121.791%0.90770%0.699SS**  trans-80.8102.5149.7-73.5-176.2-9.400107.9V7Q5-V7 PolarHBondContact O-N 2.64Å
6S57.2Low69Low104 Ų104121.4 Ų121.473%0.72769%0.694SS**  trans-68.4109.4165.650.90000108S4 P8S4-S6 PolarHBondContact O-N 3.24Å; S6-P8 VanDerWaalsContact O-CD 3.26Å; S6-P8 WeakPolarHBondContact O-CD 3.33Å
7V59.5Low70Confident114 Ų114117.8 Ų117.869%0.69168%0.682SS**  trans-61.6117168.8-178.90000107.1Q5 F9Q5-V7 PolarHBondContact O-N 2.64Å; V7-F9 PolarHBondContact O-N 2.79Å
8P68.6Low70.9Confident115 Ų115114.7 Ų114.775%0.74767%0.669SS**  trans-72.9111.217827.9-29.7000108.3S6 S10S6-P8 VanDerWaalsContact O-CD 3.26Å; S6-P8 WeakPolarHBondContact O-CD 3.33Å; P8-S10 PolarHBondContact O-N 3.17Å
9F70.3Confident71.9Confident153 Ų153111.9 Ų111.967%0.67166%0.66SS**  trans-61.3128.2169.9-66.1-76.1000109V7 L14V7-F9 PolarHBondContact O-N 2.79Å; F9-L14 HydrophobicContact CB-CD1 3.97Å; F9-L14 HydrophobicContact CB-CG 4.46Å
10S85.5Confident72.7Confident53 Ų53110.9 Ų110.937%0.37165%0.651SS.*  trans-66.6144.7176.2175.40000109.9P8 T12 E13 L14P8-S10 PolarHBondContact O-N 3.17Å; S10-T12 PolarHBondContact O-N 3.27Å; S10-T12 VanDerWaalsContact O-N 3.09Å; S10-T12 PolarHBondContact OG-N 3.46Å; S10-T12 PolarHBondContact OG-OG1 3.02Å; S10-E13 PolarHBondContact N-OE2 3.43Å; S10-E13 WeakPolarHBondContact O-CB 3.12Å; S10-E13 PolarHBondContact O-N 3.45Å; S10-L14 PolarHBondContact O-N 2.63Å; S10-L14 VanDerWaalsContact O-N 3.15Å
11A82.3Confident73.3Confident69 Ų69111 Ų11157%0.5764%0.643SS**Hα-helixtrans-54.5-30.7175.100000112.2L15A11-L15 WeakPolarHBondContact O-CB 3.47Å; A11-L15 VanDerWaalsContact O-CG 3.26Å; A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 3.29Å
12T84.7Confident74.9Confident96 Ų96103.4 Ų103.459%0.58961%0.613SS**Hα-helixtrans-66.4-38.6174.3510000112.9S10 L15 L16S10-T12 PolarHBondContact O-N 3.27Å; S10-T12 VanDerWaalsContact O-N 3.09Å; S10-T12 PolarHBondContact OG-N 3.46Å; S10-T12 PolarHBondContact OG-OG1 3.02Å; T12-L15 PolarHBondContact O-N 3.09Å; T12-L16 VanDerWaalsContact O-CB 3.31Å; T12-L16 WeakPolarHBondContact O-CB 3.46Å; T12-L16 PolarHBondContact O-N 3.37Å
13E87.7Confident77.1Confident105 Ų105103.6 Ų103.649%0.49160%0.599SS.*Hα-helixtrans-69.1-41.7178.1-65.3171.5160.400111S10 L16 A17S10-E13 PolarHBondContact N-OE2 3.43Å; S10-E13 WeakPolarHBondContact O-CB 3.12Å; S10-E13 PolarHBondContact O-N 3.45Å; E13-L16 PolarHBondContact O-N 3.15Å; E13-A17 VanDerWaalsContact O-CB 3.27Å; E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 3.17Å
14L86.6Confident78.7Confident101 Ų10198.8 Ų98.853%0.52958%0.576SS.*Hα-helixtrans-62.5-43.5174.1-90.5145000112.2F9 S10 S18F9-L14 HydrophobicContact CB-CD1 3.97Å; F9-L14 HydrophobicContact CB-CG 4.46Å; S10-L14 PolarHBondContact O-N 2.63Å; S10-L14 VanDerWaalsContact O-N 3.15Å; L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.28Å
15L88.2Confident79.9Confident122 Ų12297.4 Ų97.464%0.63956%0.557SS**Hα-helixtrans-66-42.9176.3-76.2169.3000111.8A11 T12 S18 A19A11-L15 WeakPolarHBondContact O-CB 3.47Å; A11-L15 VanDerWaalsContact O-CG 3.26Å; A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 3.29Å; T12-L15 PolarHBondContact O-N 3.09Å; L15-S18 PolarHBondContact O-N 2.96Å; L15-A19 WeakPolarHBondContact O-CB 3.31Å; L15-A19 PolarHBondContact O-N 3.42Å
16L90.7Very high81.6Confident118 Ų11897.1 Ų97.162%0.61855%0.548SS*.Hα-helixtrans-64.2-46.6178-158.995.6000111.1T12 E13 S18 A19 I20T12-L16 VanDerWaalsContact O-CB 3.31Å; T12-L16 WeakPolarHBondContact O-CB 3.46Å; T12-L16 PolarHBondContact O-N 3.37Å; E13-L16 PolarHBondContact O-N 3.15Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3Å; L16-A19 PolarHBondContact O-N 3.38Å; L16-I20 HydrophobicContact CD2-CD1 4.01Å; L16-I20 HydrophobicContact CG-CD1 4.11Å; L16-I20 WeakPolarHBondContact O-CB 3.42Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.24Å; L16-I20 PolarHBondContact O-N 2.97Å
17A86.1Confident82.7Confident59 Ų5995.6 Ų95.649%0.48853%0.534SS..Hα-helixtrans-60.8-41.8176.600000111.6E13 I20 F21E13-A17 VanDerWaalsContact O-CB 3.27Å; E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 3.17Å; A17-I20 PolarHBondContact O-N 3.02Å; A17-F21 VanDerWaalsContact O-CB 3.28Å; A17-F21 WeakPolarHBondContact O-CB 3.49Å; A17-F21 PolarHBondContact O-N 3.1Å
18S86.4Confident83.5Confident63 Ų6392 Ų9244%0.44151%0.51SS..Hα-helixtrans-65.9-42.6176.7-59.10000112L14 L15 L16 F21 C22L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.28Å; L15-S18 PolarHBondContact O-N 2.96Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3Å; S18-F21 PolarHBondContact O-N 3.43Å; S18-C22 WeakPolarHBondContact O-CB 3.28Å; S18-C22 PolarHBondContact O-N 3.19Å; S18-C22 PolarHBondContact O-SG 2.81Å
19A88.8Confident83.7Confident61 Ų6194 Ų9450%0.50450%0.503SS..Hα-helixtrans-64.1-43.8177.100000111.8L15 L16 C22 L23L15-A19 WeakPolarHBondContact O-CB 3.31Å; L15-A19 PolarHBondContact O-N 3.42Å; L16-A19 PolarHBondContact O-N 3.38Å; A19-C22 PolarHBondContact O-N 2.96Å; A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 PolarHBondContact O-N 2.98Å
20I89.2Confident83.8Confident92 Ų9289.7 Ų89.747%0.47250%0.502SS..Hα-helixtrans-62.4-45.2174.8-67.7165.5000110.2L16 A17 C22 L23 V24L16-I20 HydrophobicContact CD2-CD1 4.01Å; L16-I20 HydrophobicContact CG-CD1 4.11Å; L16-I20 WeakPolarHBondContact O-CB 3.42Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.24Å; L16-I20 PolarHBondContact O-N 2.97Å; A17-I20 PolarHBondContact O-N 3.02Å; I20-C22 PolarHBondContact O-N 2.89Å; I20-L23 PolarHBondContact O-N 3.23Å; I20-V24 HydrophobicContact CG2-CG2 4.25Å; I20-V24 WeakPolarHBondContact O-CB 3.49Å; I20-V24 VanDerWaalsContact O-CG2 3.27Å; I20-V24 WeakPolarHBondContact O-CG2 3.32Å; I20-V24 PolarHBondContact O-N 3.11Å
21F84.7Confident83.1Confident113 Ų11391.5 Ų91.550%0.49651%0.514SS..Hα-helixtrans-59.4-46.8177.2177.9-94.9000111.8A17 S18 V24 F25 P49A17-F21 VanDerWaalsContact O-CB 3.28Å; A17-F21 WeakPolarHBondContact O-CB 3.49Å; A17-F21 PolarHBondContact O-N 3.1Å; S18-F21 PolarHBondContact O-N 3.43Å; F21-V24 PolarHBondContact O-N 3.04Å; F21-F25 VanDerWaalsContact O-CB 3.22Å; F21-F25 WeakPolarHBondContact O-CB 3.28Å; F21-F25 PolarHBondContact O-N 3.38Å; F21-P49 HydrophobicContact CE2-CB 4.25Å; F21-P49 HydrophobicContact CE2-CG 3.94Å; F21-P49 HydrophobicContact CZ-CG 3.88Å
22C85.8Confident82.6Confident79 Ų7994 Ų9453%0.53451%0.509SS..Hα-helixtrans-63.1-42.4176.7-73.50000112.1S18 A19 I20 F25 W26S18-C22 WeakPolarHBondContact O-CB 3.28Å; S18-C22 PolarHBondContact O-N 3.19Å; S18-C22 PolarHBondContact O-SG 2.81Å; A19-C22 PolarHBondContact O-N 2.96Å; I20-C22 PolarHBondContact O-N 2.89Å; C22-F25 PolarHBondContact O-N 2.89Å; C22-W26 VanDerWaalsContact O-CB 3.25Å; C22-W26 WeakPolarHBondContact O-CB 3.47Å; C22-W26 PolarHBondContact O-N 2.87Å
23L86.8Confident82Confident109 Ų10992.9 Ų92.957%0.57150%0.504SS*.Hα-helixtrans-62.4-49.1177.1-17576000110.9A19 I20 F25 W26 V27A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 PolarHBondContact O-N 2.98Å; I20-L23 PolarHBondContact O-N 3.23Å; L23-F25 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 2.82Å; L23-W26 PolarHBondContact O-N 3.43Å; L23-V27 WeakPolarHBondContact O-CG2 3.4Å; L23-V27 PolarHBondContact O-N 2.93Å
24V81.9Confident81.6Confident53 Ų5396.6 Ų96.632%0.32152%0.521SS..Hα-helixtrans-61.8-44.8178.3171.80000110.4I20 F21 W26 V27 L28 L50I20-V24 HydrophobicContact CG2-CG2 4.25Å; I20-V24 WeakPolarHBondContact O-CB 3.49Å; I20-V24 VanDerWaalsContact O-CG2 3.27Å; I20-V24 WeakPolarHBondContact O-CG2 3.32Å; I20-V24 PolarHBondContact O-N 3.11Å; F21-V24 PolarHBondContact O-N 3.04Å; V24-W26 VanDerWaalsContact C-N 3.32Å; V24-W26 PolarHBondContact O-N 2.91Å; V24-V27 PolarHBondContact O-N 3.45Å; V24-L28 HydrophobicContact CG1-CD1 3.75Å; V24-L28 HydrophobicContact CG1-CG 4.24Å; V24-L28 WeakPolarHBondContact O-CB 3.47Å; V24-L28 WeakPolarHBondContact O-CG 3.25Å; V24-L28 PolarHBondContact O-N 3.2Å; V24-L50 HydrophobicContact CG1-CD2 3.72Å
25F79.8Confident81.6Confident73 Ų7394.2 Ų94.232%0.3251%0.51SS..Hα-helixtrans-61.1-40.9176.4-175.9-102.4000112.4F21 C22 L23 L28 R29 P49F21-F25 VanDerWaalsContact O-CB 3.22Å; F21-F25 WeakPolarHBondContact O-CB 3.28Å; F21-F25 PolarHBondContact O-N 3.38Å; C22-F25 PolarHBondContact O-N 2.89Å; L23-F25 VanDerWaalsContact C-N 3.34Å; L23-F25 PolarHBondContact O-N 2.82Å; F25-L28 PolarHBondContact O-N 2.83Å; F25-R29 HydrophobicContact CE1-CG 4.32Å; F25-R29 VanDerWaalsContact CE1-NE 3.35Å; F25-R29 HydrophobicContact CZ-CG 4.4Å; F25-R29 VanDerWaalsContact CZ-CZ 3.47Å; F25-R29 PolarHBondContact O-N 3.22Å; F25-P49 HydrophobicContact CD2-CB 4.29Å; F25-P49 HydrophobicContact CD2-CG 4.28Å
26W82.3Confident81.6Confident188 Ų18891.1 Ų91.171%0.71250%0.497SS*.Hα-helixtrans-66-45.9177.3-175.778.1000111.8C22 L23 V24 L28 R29 G30C22-W26 VanDerWaalsContact O-CB 3.25Å; C22-W26 WeakPolarHBondContact O-CB 3.47Å; C22-W26 PolarHBondContact O-N 2.87Å; L23-W26 PolarHBondContact O-N 3.43Å; V24-W26 VanDerWaalsContact C-N 3.32Å; V24-W26 PolarHBondContact O-N 2.91Å; W26-L28 PolarHBondContact O-N 3.2Å; W26-R29 PolarHBondContact O-N 2.95Å; W26-G30 PolarHBondContact O-N 3.34Å
27V81.8Confident81.3Confident72 Ų7295.9 Ų95.944%0.43651%0.513SS..Hα-helixtrans-59.2-48.5174.5171.90000110.4L23 V24 R29 G30 S31L23-V27 WeakPolarHBondContact O-CG2 3.4Å; L23-V27 PolarHBondContact O-N 2.93Å; V24-V27 PolarHBondContact O-N 3.45Å; V27-R29 VanDerWaalsContact C-N 3.27Å; V27-R29 PolarHBondContact O-N 3.14Å; V27-G30 PolarHBondContact O-N 3.02Å; V27-G30 VanDerWaalsContact O-N 3.09Å; V27-S31 WeakPolarHBondContact O-CB 3.38Å; V27-S31 PolarHBondContact O-N 3.47Å; V27-S31 PolarHBondContact O-OG 3.2Å
28L74.9Confident81.3Confident38 Ų3897 Ų9720%0.19953%0.531CS..Hα-helixtrans-61.6-33.1179-71.4171.3000113.3V24 F25 W26 P49V24-L28 HydrophobicContact CG1-CD1 3.75Å; V24-L28 HydrophobicContact CG1-CG 4.24Å; V24-L28 WeakPolarHBondContact O-CB 3.47Å; V24-L28 WeakPolarHBondContact O-CG 3.25Å; V24-L28 PolarHBondContact O-N 3.2Å; F25-L28 PolarHBondContact O-N 2.83Å; W26-L28 PolarHBondContact O-N 3.2Å; L28-P49 WeakPolarHBondContact CD1-O 3.47Å
29R74.3Confident81.5Confident157 Ų15796.9 Ų96.959%0.59253%0.525SS*.Hα-helixtrans-73.8-41.4171.9-84.9-169.8168.9-175.2-0.1112.2F25 W26 V27 R32F25-R29 HydrophobicContact CE1-CG 4.32Å; F25-R29 VanDerWaalsContact CE1-NE 3.35Å; F25-R29 HydrophobicContact CZ-CG 4.4Å; F25-R29 VanDerWaalsContact CZ-CZ 3.47Å; F25-R29 PolarHBondContact O-N 3.22Å; W26-R29 PolarHBondContact O-N 2.95Å; V27-R29 VanDerWaalsContact C-N 3.27Å; V27-R29 PolarHBondContact O-N 3.14Å; R29-R32 WeakPolarHBondContact O-CB 3.28Å; R29-R32 WeakPolarHBondContact O-CG 3.29Å; R29-R32 PolarHBondContact O-N 2.9Å
30G70.6Confident81.7Confident63 Ų63101.3 Ų101.365%0.64953%0.533SS*.Hα-helixtrans-69.5-29.5-179.400000113.8W26 V27 R32W26-G30 PolarHBondContact O-N 3.34Å; V27-G30 PolarHBondContact O-N 3.02Å; V27-G30 VanDerWaalsContact O-N 3.09Å; G30-R32 PolarHBondContact O-N 2.72Å
31S70.9Confident81.9Confident90 Ų9099.9 Ų99.963%0.62953%0.531SS*.THydrogen-bonded Turntrans-77.53.2176.4-53.90000114V27V27-S31 WeakPolarHBondContact O-CB 3.38Å; V27-S31 PolarHBondContact O-N 3.47Å; V27-S31 PolarHBondContact O-OG 3.2Å
32R72.4Confident82.5Confident122 Ų12294.9 Ų94.946%0.4651%0.51SS..SBendtrans-71136177.5-70.4-178.8176.8-149.3-6.9110R29 G30 Q34 E44R29-R32 WeakPolarHBondContact O-CB 3.28Å; R29-R32 WeakPolarHBondContact O-CG 3.29Å; R29-R32 PolarHBondContact O-N 2.9Å; G30-R32 PolarHBondContact O-N 2.72Å; R32-Q34 PolarHBondContact O-N 2.64Å; R32-E44 IonicContact NH1-OE2 3.82Å; R32-E44 IonicContact NH2-OE2 2.91Å
33P72.5Confident83Confident73 Ų7393.1 Ų93.147%0.47450%0.498SS..PPolyproline II helixtrans-54.8131.6173.7-22.131.4000110.2V35 P402P33-V35 PolarHBondContact O-N 3.15Å; P33-P402 HydrophobicContact CB-CB 4.34Å; P33-P402 HydrophobicContact CB-CG 4.43Å; P33-P402 HydrophobicContact CG-CB 4.36Å; P33-P402 HydrophobicContact CG-CG 4.07Å
34Q79.2Confident83.4Confident182 Ų18290.5 Ų90.585%0.8548%0.482SS*.PPolyproline II helixtrans-66.4125.2172.7-70.6-167.9-200109R32R32-Q34 PolarHBondContact O-N 2.64Å
35V86.6Confident84Confident51 Ų5188.5 Ų88.531%0.30947%0.471SS..PPolyproline II helixtrans-77.7126.9175.5-176.20000108.1P33 L39 S41 Y400P33-V35 PolarHBondContact O-N 3.15Å; V35-L39 HydrophobicContact CG1-CB 3.96Å; V35-L39 VanDerWaalsContact CG1-O 3.27Å; V35-L39 WeakPolarHBondContact CG1-O 3.32Å; V35-S41 WeakPolarHBondContact CG2-OG 3.5Å; V35-Y400 HydrophobicContact CG1-CD1 4.48Å
36P87.2Confident84.6Confident57 Ų5794 Ų9437%0.3749%0.489SS..PPolyproline II helixtrans-56.2146.9175.4-2534.1000112.1G38 L39 Y400P36-G38 PolarHBondContact O-N 2.93Å; P36-L39 HydrophobicContact CB-CD1 4.31Å; P36-L39 HydrophobicContact CG-CD1 4.38Å; P36-L39 PolarHBondContact O-N 3.19Å; P36-L39 VanDerWaalsContact O-N 3.14Å; P36-Y400 HydrophobicContact CG-CD2 3.89Å; P36-Y400 HydrophobicContact CG-CE2 3.74Å; P36-Y400 HydrophobicContact CG-CG 4.33Å
37K84.8Confident85.1Confident218 Ų21886 Ų8695%0.94847%0.466SS*.THydrogen-bonded Turntrans-55.3130.1178.7-69.2-172.9179.4-179.70110.4
38G85.8Confident85.6Confident84 Ų8489 Ų8987%0.86647%0.469SS*.THydrogen-bonded Turntrans93.1-9.3179.200000115.1P36P36-G38 PolarHBondContact O-N 2.93Å
39L91.1Very high86.1Confident59 Ų5988.7 Ų88.731%0.30947%0.47SS..  trans-106.1163.9174.5-61.6179.2000111.6V35 P36 T395 Y400V35-L39 HydrophobicContact CG1-CB 3.96Å; V35-L39 VanDerWaalsContact CG1-O 3.27Å; V35-L39 WeakPolarHBondContact CG1-O 3.32Å; P36-L39 HydrophobicContact CB-CD1 4.31Å; P36-L39 HydrophobicContact CG-CD1 4.38Å; P36-L39 PolarHBondContact O-N 3.19Å; P36-L39 VanDerWaalsContact O-N 3.14Å; L39-T395 HydrophobicContact CD2-CG2 4.25Å; L39-Y400 HydrophobicContact CD1-CD2 3.98Å; L39-Y400 HydrophobicContact CD1-CG 4.38Å
40K93.3Very high86.7Confident155 Ų15586.5 Ų86.567%0.67447%0.469SS*.BIsolated β-bridgetrans-119.9149.5176.3-62.9178.9-176.9176.50110.1F399 Y400K40-F399 HydrophobicContact CB-CD1 4.15Å; K40-F399 HydrophobicContact CB-CE1 4.41Å; K40-F399 CarbonylContact O-C 3.45Å; K40-F399 VanDerWaalsContact O-CA 3.28Å; K40-F399 WeakPolarHBondContact O-CA 3.47Å; K40-Y400 PolarHBondContact O-N 3.16Å
41S93.5Very high87.8Confident62 Ų6286.9 Ų86.943%0.43446%0.456SS..PPolyproline II helixtrans-68.9152.4163.5-65.80000110.3V35 F399V35-S41 WeakPolarHBondContact CG2-OG 3.5Å; S41-F399 VanDerWaalsContact O-CD1 3.24Å; S41-F399 WeakPolarHBondContact O-CD1 3.17Å
42P96.6Very high89Confident7 Ų782.6 Ų82.65%0.04543%0.426CS..PPolyproline II helixtrans-53.9148.4166.7-21.731.5000111.1E44 V75 Q77 L86 F399P42-E44 PolarHBondContact O-N 2.96Å; P42-V75 HydrophobicContact CB-CG1 4.33Å; P42-V75 HydrophobicContact CG-CG1 4.42Å; P42-Q77 HydrophobicContact CB-CB 4.02Å; P42-L86 HydrophobicContact CB-CD1 4.18Å; P42-L86 HydrophobicContact CG-CD1 3.77Å; P42-F399 HydrophobicContact CB-CB 4.5Å; P42-F399 HydrophobicContact CB-CG 4.47Å; P42-F399 HydrophobicContact CG-CB 3.95Å; P42-F399 HydrophobicContact CG-CG 4.43Å
43P96.7Very high90.2Very high43 Ų4376.9 Ų76.928%0.27941%0.405SS..PPolyproline II helixtrans-54.8124.4172.2-23.533.9000110.9Y72 V75 Q77 F399P43-Y72 HydrophobicContact CB-CD1 4.12Å; P43-V75 WeakPolarHBondContact CD-O 3.39Å; P43-Q77 PolarHBondContact O-N 2.76Å; P43-F399 HydrophobicContact CG-CE1 4.39Å; P43-F399 HydrophobicContact CG-CZ 4.13Å
44E95Very high91.3Very high53 Ų5374.6 Ų74.625%0.24839%0.389CS..  trans-115.6115.1175.8-173.5177.6174.900108.2R32 P42 Q77 R79R32-E44 IonicContact NH1-OE2 3.82Å; R32-E44 IonicContact NH2-OE2 2.91Å; P42-E44 PolarHBondContact O-N 2.96Å; E44-Q77 WeakPolarHBondContact CA-O 3.1Å; E44-Q77 HydrophobicContact CB-CB 4.27Å; E44-Q77 HydrophobicContact CG-CG 4.39Å; E44-Q77 PolarHBondContact OE2-NE2 3.49Å; E44-R79 IonicContact OE1-CZ 3.44Å; E44-R79 IonicContact OE1-NE 3.47Å; E44-R79 PolarHBondContact OE1-NE 2.84Å; E44-R79 IonicContact OE1-NH2 3.79Å; E44-R79 PolarHBondContact OE1-NH2 3.3Å; E44-R79 IonicContact OE2-NH2 2.91Å
45P94.3Very high92.1Very high12 Ų1271.4 Ų71.48%0.07838%0.378CS..  trans-60.2161.9172.6-25.539.3000111.2G47 H53 M68 Y72 Q77P45-G47 PolarHBondContact O-N 3.06Å; P45-H53 PolarHBondContact O-NE2 3.3Å; P45-M68 HydrophobicContact CB-CE 4.02Å; P45-M68 HydrophobicContact CG-CE 3.54Å; P45-Y72 HydrophobicContact CB-CE1 4.17Å; P45-Y72 HydrophobicContact CB-CE2 3.86Å; P45-Y72 HydrophobicContact CG-CD1 3.98Å; P45-Y72 HydrophobicContact CG-CD2 3.59Å; P45-Y72 HydrophobicContact CG-CE1 3.78Å; P45-Y72 HydrophobicContact CG-CE2 3.38Å; P45-Y72 HydrophobicContact CG-CG 3.89Å; P45-Y72 VanDerWaalsContact CG-CZ 3.48Å; P45-Q77 VanDerWaalsContact CD-O 3.24Å; P45-Q77 WeakPolarHBondContact CD-O 3.39Å
46W93.6Very high92.6Very high187 Ų18772.4 Ų72.471%0.70838%0.384SS*.  trans-64.6128.6174-176.291.6000109.9W48W46-W48 AromaticContact CH2-CD2 3.87Å; W46-W48 HydrophobicContact CH2-CD2 3.87Å; W46-W48 AromaticContact CH2-CE3 3.89Å; W46-W48 HydrophobicContact CH2-CE3 3.89Å; W46-W48 HydrophobicContact CH2-CG 4.39Å; W46-W48 HydrophobicContact CH2-CH2 4.36Å; W46-W48 HydrophobicContact CH2-CZ2 4.33Å; W46-W48 HydrophobicContact CH2-CZ3 4.14Å; W46-W48 HydrophobicContact CZ3-CD2 4.14Å; W46-W48 HydrophobicContact CZ3-CG 4.41Å; W46-W48 HydrophobicContact CZ3-CZ2 4.37Å
47G92.8Very high93.1Very high22 Ų2270 Ų7023%0.22737%0.368CS..  trans-129.2157.617700000111.4P45P45-G47 PolarHBondContact O-N 3.06Å
48W92.4Very high93.6Very high133 Ų13362 Ų6250%0.50435%0.348SS..BIsolated β-bridgetrans-64.2141.8178.2-65.793.6000110.8W46 L50 L51 G52W46-W48 AromaticContact CH2-CD2 3.87Å; W46-W48 HydrophobicContact CH2-CD2 3.87Å; W46-W48 AromaticContact CH2-CE3 3.89Å; W46-W48 HydrophobicContact CH2-CE3 3.89Å; W46-W48 HydrophobicContact CH2-CG 4.39Å; W46-W48 HydrophobicContact CH2-CH2 4.36Å; W46-W48 HydrophobicContact CH2-CZ2 4.33Å; W46-W48 HydrophobicContact CH2-CZ3 4.14Å; W46-W48 HydrophobicContact CZ3-CD2 4.14Å; W46-W48 HydrophobicContact CZ3-CG 4.41Å; W46-W48 HydrophobicContact CZ3-CZ2 4.37Å; W48-L50 VanDerWaalsContact C-N 3.33Å; W48-L50 PolarHBondContact O-N 2.93Å; W48-L51 HydrophobicContact CB-CB 4.01Å; W48-G52 PolarHBondContact N-O 2.92Å; W48-G52 VanDerWaalsContact O-CA 3.24Å; W48-G52 WeakPolarHBondContact O-CA 3.4Å; W48-G52 PolarHBondContact O-N 3.15Å
49P84.4Confident94.1Very high33 Ų3366.9 Ų66.921%0.21435%0.345CS..THydrogen-bonded Turntrans-53.5-43.4-176-30.236.2000114.8F21 F25 L28F21-P49 HydrophobicContact CE2-CB 4.25Å; F21-P49 HydrophobicContact CE2-CG 3.94Å; F21-P49 HydrophobicContact CZ-CG 3.88Å; F25-P49 HydrophobicContact CD2-CB 4.29Å; F25-P49 HydrophobicContact CD2-CG 4.28Å; L28-P49 WeakPolarHBondContact CD1-O 3.47Å
50L87.4Confident94.4Very high111 Ų11166.9 Ų66.958%0.58135%0.345SS*.THydrogen-bonded Turntrans-99-33-177.3-66.8177.1000114.1V24 W48 G81V24-L50 HydrophobicContact CG1-CD2 3.72Å; W48-L50 VanDerWaalsContact C-N 3.33Å; W48-L50 PolarHBondContact O-N 2.93Å; L50-G81 CarbonylContact O-C 3.4Å; L50-G81 VanDerWaalsContact O-CA 3.31Å; L50-G81 WeakPolarHBondContact O-CA 3.27Å
51L93.4Very high94.6Very high70 Ų7059.8 Ų59.837%0.36632%0.315SS..THydrogen-bonded Turntrans-93.2-20-174.3-61177.9000112.4W48 H53 V54 L55 G81 F239W48-L51 HydrophobicContact CB-CB 4.01Å; L51-H53 PolarHBondContact O-N 2.9Å; L51-V54 HydrophobicContact CB-CG1 4Å; L51-V54 WeakPolarHBondContact O-CG1 3.44Å; L51-V54 PolarHBondContact O-N 3.47Å; L51-L55 HydrophobicContact CD1-CD1 3.85Å; L51-L55 HydrophobicContact CD1-CG 4.25Å; L51-G81 PolarHBondContact O-N 3Å; L51-F239 HydrophobicContact CD2-CE1 4.06Å; L51-F239 HydrophobicContact CD2-CZ 4.32Å
52G95.5Very high94.9Very high1 Ų157.1 Ų57.11%0.0130%0.295CS..BIsolated β-bridgetrans58.5-119.8-168.100000110.6W48 R79W48-G52 PolarHBondContact N-O 2.92Å; W48-G52 VanDerWaalsContact O-CA 3.24Å; W48-G52 WeakPolarHBondContact O-CA 3.4Å; W48-G52 PolarHBondContact O-N 3.15Å; G52-R79 CarbonylContact C-O 3.41Å; G52-R79 WeakPolarHBondContact CA-O 3.37Å
53H97.6Very high95Very high2 Ų259 Ų591%0.00931%0.305CS..THydrogen-bonded Turntrans-113.49.1-173.3-5578.3000112.4P45 L51 L55 T56 L57 I78 R79P45-H53 PolarHBondContact O-NE2 3.3Å; L51-H53 PolarHBondContact O-N 2.9Å; H53-L55 PolarHBondContact O-N 2.88Å; H53-L55 VanDerWaalsContact O-N 3.17Å; H53-T56 WeakPolarHBondContact O-CA 3.46Å; H53-T56 VanDerWaalsContact O-CB 3.28Å; H53-T56 WeakPolarHBondContact O-CB 3.3Å; H53-T56 PolarHBondContact O-N 2.81Å; H53-L57 PolarHBondContact O-N 3.28Å; H53-I78 HydrophobicContact CB-CB 4.28Å; H53-R79 PolarHBondContact N-O 2.91Å; H53-R79 PolarHBondContact ND1-N 3Å; H53-R79 PolarHBondContact ND1-O 3.46Å
54V96.6Very high95.1Very high24 Ų2457.2 Ų57.215%0.14529%0.294CS..Hα-helixtrans-56.2-36.9-175.371.40000112.4L51 L57 G58 I80 P235 F239L51-V54 HydrophobicContact CB-CG1 4Å; L51-V54 WeakPolarHBondContact O-CG1 3.44Å; L51-V54 PolarHBondContact O-N 3.47Å; V54-L57 PolarHBondContact O-N 3.35Å; V54-G58 PolarHBondContact O-N 3.5Å; V54-I80 HydrophobicContact CB-CG2 4.12Å; V54-I80 HydrophobicContact CG2-CG2 4.11Å; V54-P235 HydrophobicContact CG2-CG 4.32Å; V54-F239 HydrophobicContact CB-CE2 4.06Å; V54-F239 HydrophobicContact CB-CZ 4.17Å; V54-F239 HydrophobicContact CG1-CE2 4.13Å; V54-F239 HydrophobicContact CG1-CZ 3.87Å; V54-F239 HydrophobicContact CG2-CE2 3.93Å; V54-F239 HydrophobicContact CG2-CZ 4.5Å
55L96.2Very high95.2Very high115 Ų11554.7 Ų54.760%0.60228%0.282SS*.Hα-helixtrans-69.8-33.8176.8-58.3-177.7000112L51 H53 G58L51-L55 HydrophobicContact CD1-CD1 3.85Å; L51-L55 HydrophobicContact CD1-CG 4.25Å; H53-L55 PolarHBondContact O-N 2.88Å; H53-L55 VanDerWaalsContact O-N 3.17Å; L55-G58 PolarHBondContact O-N 3.06Å
56T97.1Very high95.4Very high73 Ų7354.3 Ų54.345%0.44828%0.279SS..Hα-helixtrans-67.6-36.9175.6-49.90000111.8H53 G58 A64 M68H53-T56 WeakPolarHBondContact O-CA 3.46Å; H53-T56 VanDerWaalsContact O-CB 3.28Å; H53-T56 WeakPolarHBondContact O-CB 3.3Å; H53-T56 PolarHBondContact O-N 2.81Å; T56-G58 VanDerWaalsContact C-N 3.31Å; T56-G58 PolarHBondContact O-N 3.16Å; T56-A64 VanDerWaalsContact O-CB 3.3Å; T56-A64 WeakPolarHBondContact O-CB 3.33Å; T56-M68 HydrophobicContact CG2-SD 4.03Å
57L96.8Very high95.7Very high7 Ų752.1 Ų52.14%0.03727%0.271CS..Hα-helixtrans-62.6-40.7175.7-62.4-177.9000111.4H53 V54 N60 P61 L65 I78 I80H53-L57 PolarHBondContact O-N 3.28Å; V54-L57 PolarHBondContact O-N 3.35Å; L57-N60 CarbonylContact O-C 3.5Å; L57-P61 HydrophobicContact CB-CB 4.22Å; L57-P61 HydrophobicContact CB-CG 4.27Å; L57-P61 HydrophobicContact CD2-CB 4.3Å; L57-L65 HydrophobicContact CD2-CD1 3.98Å; L57-L65 HydrophobicContact CD2-CD2 3.73Å; L57-L65 HydrophobicContact CD2-CG 3.66Å; L57-I78 HydrophobicContact CD1-CD1 4.17Å; L57-I78 HydrophobicContact CD2-CD1 4.02Å; L57-I78 HydrophobicContact CG-CD1 4.49Å; L57-I80 HydrophobicContact CD1-CD1 3.62Å; L57-I80 HydrophobicContact CD1-CG1 3.98Å
58G95.9Very high95.9Very high50 Ų5051.9 Ų51.952%0.51526%0.264SS..THydrogen-bonded Turntrans55.2-146179.300000112.4V54 L55 T56V54-G58 PolarHBondContact O-N 3.5Å; L55-G58 PolarHBondContact O-N 3.06Å; T56-G58 VanDerWaalsContact C-N 3.31Å; T56-G58 PolarHBondContact O-N 3.16Å
59K95.8Very high96.2Very high186 Ų18645.9 Ų45.981%0.80924%0.242SC*.THydrogen-bonded Turntrans-79.7-18.1179.6-62.7-174.3179.8-178.80114P61 Y495K59-P61 WeakPolarHBondContact O-CD 3.27Å; K59-Y495 VanDerWaalsContact O-CB 3.27Å; K59-Y495 WeakPolarHBondContact O-CB 2.87Å
60N97.7Very high96.8Very high59 Ų5950.7 Ų50.732%0.31626%0.262SS..  trans-127.673.5-175.3-67.7-49000110.8L57 H62 L63 A64L57-N60 CarbonylContact O-C 3.5Å; N60-H62 PolarHBondContact O-N 3.27Å; N60-L63 HydrophobicContact CB-CB 4.28Å; N60-L63 HydrophobicContact CB-CD1 3.83Å; N60-L63 HydrophobicContact CB-CG 4.01Å; N60-L63 PolarHBondContact O-N 3.21Å; N60-L63 VanDerWaalsContact O-N 3.12Å; N60-A64 PolarHBondContact O-N 2.77Å
61P98.3Very high97.2Very high6 Ų652.1 Ų52.14%0.03927%0.269CS..Hα-helixtrans-57.8-35.3-175.3-26.635.9000113.4L57 K59 L63 A64 L65 F384 Y495L57-P61 HydrophobicContact CB-CB 4.22Å; L57-P61 HydrophobicContact CB-CG 4.27Å; L57-P61 HydrophobicContact CD2-CB 4.3Å; K59-P61 WeakPolarHBondContact O-CD 3.27Å; P61-L63 PolarHBondContact O-N 2.81Å; P61-A64 PolarHBondContact O-N 3.23Å; P61-L65 VanDerWaalsContact O-CB 3.25Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 VanDerWaalsContact O-CG 3.29Å; P61-L65 WeakPolarHBondContact O-CG 3.37Å; P61-L65 PolarHBondContact O-N 3.5Å; P61-F384 HydrophobicContact CB-CE2 4.12Å; P61-F384 HydrophobicContact CB-CZ 4.4Å; P61-Y495 HydrophobicContact CG-CD1 4.11Å; P61-Y495 HydrophobicContact CG-CE1 3.61Å; P61-Y495 HydrophobicContact CG-CE2 4.32Å
62H98.6Very high97.4Very high5 Ų553.4 Ų53.42%0.02327%0.27CS..Hα-helixtrans-61.7-40.3178.460.7-79000112.7N60 S66 P383 F384 N410 W412 Y495 M499N60-H62 PolarHBondContact O-N 3.27Å; H62-S66 WeakPolarHBondContact O-CB 3.23Å; H62-S66 PolarHBondContact O-N 3.21Å; H62-S66 PolarHBondContact O-OG 3.37Å; H62-P383 HydrophobicContact CB-CB 3.8Å; H62-F384 VanDerWaalsContact CA-CZ 3.43Å; H62-F384 HydrophobicContact CB-CD2 4.41Å; H62-F384 HydrophobicContact CB-CE2 3.61Å; H62-F384 HydrophobicContact CB-CZ 3.85Å; H62-N410 PolarHBondContact O-ND2 2.98Å; H62-W412 HydrophobicContact CB-CB 4.08Å; H62-W412 HydrophobicContact CB-CG 4.31Å; H62-W412 AromaticContact CD2-CD1 3.55Å; H62-W412 AromaticContact CD2-CD2 3.75Å; H62-W412 AromaticContact CD2-CE2 3.91Å; H62-W412 AromaticContact CD2-CG 3.59Å; H62-W412 AromaticContact CD2-NE1 3.76Å; H62-Y495 AromaticContact CE1-CD2 3.96Å; H62-Y495 AromaticContact ND1-CD2 3.42Å; H62-Y495 WeakPolarHBondContact ND1-CD2 3.19Å; H62-Y495 AromaticContact ND1-CE2 3.78Å; H62-M499 VanDerWaalsContact CE1-SD 3.53Å
63L98.6Very high97.5Very high48 Ų4855 Ų5525%0.25129%0.286SS..Hα-helixtrans-70.7-44.3176-56.3-178.1000111.5N60 P61 S66 R67 W412N60-L63 HydrophobicContact CB-CB 4.28Å; N60-L63 HydrophobicContact CB-CD1 3.83Å; N60-L63 HydrophobicContact CB-CG 4.01Å; N60-L63 PolarHBondContact O-N 3.21Å; N60-L63 VanDerWaalsContact O-N 3.12Å; P61-L63 PolarHBondContact O-N 2.81Å; L63-S66 PolarHBondContact O-N 3.17Å; L63-R67 PolarHBondContact O-N 3.31Å; L63-R67 VanDerWaalsContact O-N 3.11Å; L63-W412 HydrophobicContact CD2-CD2 4.16Å; L63-W412 HydrophobicContact CD2-CE3 4.24Å; L63-W412 HydrophobicContact CD2-CH2 3.34Å; L63-W412 HydrophobicContact CD2-CZ2 3.2Å; L63-W412 HydrophobicContact CD2-CZ3 3.87Å
64A98.5Very high97.6Very high4 Ų457.7 Ų57.73%0.03330%0.301CS..Hα-helixtrans-60.9-48.4178.900000111.4T56 N60 P61 S66 R67 M68T56-A64 VanDerWaalsContact O-CB 3.3Å; T56-A64 WeakPolarHBondContact O-CB 3.33Å; N60-A64 PolarHBondContact O-N 2.77Å; P61-A64 PolarHBondContact O-N 3.23Å; A64-S66 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.46Å; A64-R67 PolarHBondContact O-N 3.14Å; A64-M68 WeakPolarHBondContact O-CG 3.47Å; A64-M68 PolarHBondContact O-N 3.16Å
65L98.7Very high97.6Very high0 Ų056.9 Ų56.90%030%0.296CS..Hα-helixtrans-68.8-30.5-179.8-71.5179.4000113.1L57 P61 M68 S69 I78 V87 F384 F408L57-L65 HydrophobicContact CD2-CD1 3.98Å; L57-L65 HydrophobicContact CD2-CD2 3.73Å; L57-L65 HydrophobicContact CD2-CG 3.66Å; P61-L65 VanDerWaalsContact O-CB 3.25Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 VanDerWaalsContact O-CG 3.29Å; P61-L65 WeakPolarHBondContact O-CG 3.37Å; P61-L65 PolarHBondContact O-N 3.5Å; L65-M68 HydrophobicContact CD2-SD 4Å; L65-M68 PolarHBondContact O-N 3.44Å; L65-S69 PolarHBondContact O-N 2.77Å; L65-S69 PolarHBondContact O-OG 3.39Å; L65-I78 HydrophobicContact CD2-CD1 4.08Å; L65-I78 HydrophobicContact CD2-CG2 4.1Å; L65-V87 HydrophobicContact CB-CG1 4.23Å; L65-V87 HydrophobicContact CD1-CG1 4.08Å; L65-V87 HydrophobicContact CD1-CG2 3.94Å; L65-V87 HydrophobicContact CD2-CG1 4.36Å; L65-V87 HydrophobicContact CD2-CG2 3.91Å; L65-V87 HydrophobicContact CG-CG1 4.46Å; L65-F384 HydrophobicContact CB-CZ 4.48Å; L65-F384 HydrophobicContact CD1-CE1 3.91Å; L65-F384 HydrophobicContact CD1-CZ 3.7Å; L65-F408 HydrophobicContact CD1-CD2 4.22Å
66S98.6Very high97.7Very high4 Ų451.4 Ų51.43%0.02827%0.267CS..Hα-helixtrans-68.1-39.3172.9-56.30000112.3H62 L63 A64 M68 S69 Q70 N410 W412 Q413H62-S66 WeakPolarHBondContact O-CB 3.23Å; H62-S66 PolarHBondContact O-N 3.21Å; H62-S66 PolarHBondContact O-OG 3.37Å; L63-S66 PolarHBondContact O-N 3.17Å; A64-S66 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.46Å; S66-M68 VanDerWaalsContact C-N 3.32Å; S66-S69 PolarHBondContact O-N 2.83Å; S66-S69 PolarHBondContact O-OG 2.95Å; S66-Q70 WeakPolarHBondContact O-CG 3.29Å; S66-Q70 PolarHBondContact O-N 2.86Å; S66-N410 PolarHBondContact OG-ND2 2.98Å; S66-W412 WeakPolarHBondContact OG-CZ3 3.46Å; S66-Q413 WeakPolarHBondContact OG-CB 3.4Å
67R98.3Very high97.8Very high142 Ų14249.1 Ų49.154%0.53625%0.251SS..Hα-helixtrans-65.4-37.4172.3-71.4-174.1-66.4-921.7111.7L63 A64 Q70L63-R67 PolarHBondContact O-N 3.31Å; L63-R67 VanDerWaalsContact O-N 3.11Å; A64-R67 PolarHBondContact O-N 3.14Å; R67-Q70 PolarHBondContact O-N 3.18Å
68M98.2Very high97.9Very high17 Ų1748.8 Ų48.88%0.08425%0.25CC..Hα-helixtrans-67-40.7176.4-68.5175.175.400111.6P45 T56 A64 L65 S66 Q70 L71 Y72 L76 I78P45-M68 HydrophobicContact CB-CE 4.02Å; P45-M68 HydrophobicContact CG-CE 3.54Å; T56-M68 HydrophobicContact CG2-SD 4.03Å; A64-M68 WeakPolarHBondContact O-CG 3.47Å; A64-M68 PolarHBondContact O-N 3.16Å; L65-M68 HydrophobicContact CD2-SD 4Å; L65-M68 PolarHBondContact O-N 3.44Å; S66-M68 VanDerWaalsContact C-N 3.32Å; M68-Q70 VanDerWaalsContact C-N 3.29Å; M68-Q70 PolarHBondContact O-N 3.4Å; M68-L71 PolarHBondContact O-N 3.19Å; M68-Y72 WeakPolarHBondContact O-CD2 3.36Å; M68-Y72 PolarHBondContact O-N 2.88Å; M68-L76 HydrophobicContact CB-CD2 4.1Å; M68-I78 HydrophobicContact CE-CG2 3.62Å; M68-I78 HydrophobicContact SD-CG2 4.42Å
69S97.9Very high97.9Very high6 Ų647.8 Ų47.84%0.04223%0.23CC..Hα-helixtrans-67.5-28.7178.362.30000113.6L65 S66 L71 G73 S89L65-S69 PolarHBondContact O-N 2.77Å; L65-S69 PolarHBondContact O-OG 3.39Å; S66-S69 PolarHBondContact O-N 2.83Å; S66-S69 PolarHBondContact O-OG 2.95Å; S69-L71 PolarHBondContact O-N 3.23Å; S69-G73 WeakPolarHBondContact CA-O 3.33Å; S69-G73 WeakPolarHBondContact CB-O 3.46Å; S69-G73 CarbonylContact O-C 3.55Å; S69-G73 WeakPolarHBondContact O-CA 3.49Å; S69-G73 PolarHBondContact O-N 3.47Å; S69-S89 VanDerWaalsContact CB-OG 3.28Å; S69-S89 WeakPolarHBondContact CB-OG 3.35Å; S69-S89 PolarHBondContact OG-OG 3.33Å
70Q96.8Very high97.9Very high135 Ų13539 Ų3963%0.63119%0.192SC*.Hα-helixtrans-61.9-28.4170.3-70.5170.4-6.800113.1S66 R67 M68S66-Q70 WeakPolarHBondContact O-CG 3.29Å; S66-Q70 PolarHBondContact O-N 2.86Å; R67-Q70 PolarHBondContact O-N 3.18Å; M68-Q70 VanDerWaalsContact C-N 3.29Å; M68-Q70 PolarHBondContact O-N 3.4Å
71L96.9Very high97.8Very high140 Ų14036.2 Ų36.273%0.73318%0.178SC*.Hα-helixtrans-94.9-38.5-178.9-64.4175000113.2M68 S69M68-L71 PolarHBondContact O-N 3.19Å; S69-L71 PolarHBondContact O-N 3.23Å
72Y97.3Very high97.5Very high98 Ų9839.1 Ų39.138%0.38420%0.198SC..Hα-helixtrans-107.8-7-171-66.1-83.4000113.7P43 P45 M68P43-Y72 HydrophobicContact CB-CD1 4.12Å; P45-Y72 HydrophobicContact CB-CE1 4.17Å; P45-Y72 HydrophobicContact CB-CE2 3.86Å; P45-Y72 HydrophobicContact CG-CD1 3.98Å; P45-Y72 HydrophobicContact CG-CD2 3.59Å; P45-Y72 HydrophobicContact CG-CE1 3.78Å; P45-Y72 HydrophobicContact CG-CE2 3.38Å; P45-Y72 HydrophobicContact CG-CG 3.89Å; P45-Y72 VanDerWaalsContact CG-CZ 3.48Å; M68-Y72 WeakPolarHBondContact O-CD2 3.36Å; M68-Y72 PolarHBondContact O-N 2.88Å
73G97.7Very high97.3Very high33 Ų3341.3 Ų41.334%0.3421%0.212SC..  trans92.6-178.5179.800000114.2S69 V75S69-G73 WeakPolarHBondContact CA-O 3.33Å; S69-G73 WeakPolarHBondContact CB-O 3.46Å; S69-G73 CarbonylContact O-C 3.55Å; S69-G73 WeakPolarHBondContact O-CA 3.49Å; S69-G73 PolarHBondContact O-N 3.47Å; G73-V75 VanDerWaalsContact C-N 3.29Å; G73-V75 PolarHBondContact O-N 2.9Å
74D98.3Very high97.2Very high60 Ų6041 Ų4132%0.32121%0.213SC..SBendtrans-68.2-23.5-173.4-75.7-6.3000115L88 S89 T93D74-L88 WeakPolarHBondContact O-CA 3.42Å; D74-S89 WeakPolarHBondContact CB-O 3.16Å; D74-S89 PolarHBondContact O-N 2.99Å; D74-T93 HydrophobicContact CB-CG2 3.87Å; D74-T93 VanDerWaalsContact CB-OG1 3.32Å; D74-T93 WeakPolarHBondContact CB-OG1 3.36Å; D74-T93 PolarHBondContact OD2-OG1 3.08Å
75V98.6Very high97.2Very high6 Ų640.9 Ų40.94%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-119.2100.3178.9-173.30000107.5P42 P43 G73 L86 L88 T93 L396 N397 F399P42-V75 HydrophobicContact CB-CG1 4.33Å; P42-V75 HydrophobicContact CG-CG1 4.42Å; P43-V75 WeakPolarHBondContact CD-O 3.39Å; G73-V75 VanDerWaalsContact C-N 3.29Å; G73-V75 PolarHBondContact O-N 2.9Å; V75-L86 HydrophobicContact CG1-CD1 3.86Å; V75-L88 HydrophobicContact CB-CD2 4.4Å; V75-L88 HydrophobicContact CG1-CD2 4.1Å; V75-L88 HydrophobicContact CG2-CD2 4.14Å; V75-T93 HydrophobicContact CG2-CG2 3.43Å; V75-T93 VanDerWaalsContact CG2-CG2 3.43Å; V75-L396 HydrophobicContact CG1-CD2 4.37Å; V75-L396 HydrophobicContact CG2-CD2 3.91Å; V75-L396 HydrophobicContact CG2-CG 4.18Å; V75-N397 HydrophobicContact CG2-CB 4.3Å; V75-F399 HydrophobicContact CB-CD2 3.95Å; V75-F399 HydrophobicContact CB-CE2 4.24Å; V75-F399 HydrophobicContact CG1-CD2 3.88Å
76L98.3Very high97.2Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-129.2156.5178.170.387.6000111.1M68 I78 V87M68-L76 HydrophobicContact CB-CD2 4.1Å; L76-I78 HydrophobicContact CD1-CG2 3.64Å; L76-V87 HydrophobicContact CD1-CB 3.74Å; L76-V87 HydrophobicContact CD1-CG2 3.98Å; L76-V87 HydrophobicContact CG-CB 4.01Å; L76-V87 PolarHBondContact N-O 3.37Å; L76-V87 PolarHBondContact O-N 3.49Å
77Q98.1Very high97.2Very high26 Ų2640.7 Ų40.712%0.12121%0.21CC..EExtended strand (participates in β ladder)trans-111136.4174.3178.7173-57.500109.9P42 P43 E44 P45 P84P42-Q77 HydrophobicContact CB-CB 4.02Å; P43-Q77 PolarHBondContact O-N 2.76Å; E44-Q77 WeakPolarHBondContact CA-O 3.1Å; E44-Q77 HydrophobicContact CB-CB 4.27Å; E44-Q77 HydrophobicContact CG-CG 4.39Å; E44-Q77 PolarHBondContact OE2-NE2 3.49Å; P45-Q77 VanDerWaalsContact CD-O 3.24Å; P45-Q77 WeakPolarHBondContact CD-O 3.39Å; Q77-P84 HydrophobicContact CG-CB 4.5Å
78I97.9Very high97.2Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-119.5-179.4163.764158.8000109.6H53 L57 L65 M68 L76 I80 P84 V85 V87H53-I78 HydrophobicContact CB-CB 4.28Å; L57-I78 HydrophobicContact CD1-CD1 4.17Å; L57-I78 HydrophobicContact CD2-CD1 4.02Å; L57-I78 HydrophobicContact CG-CD1 4.49Å; L65-I78 HydrophobicContact CD2-CD1 4.08Å; L65-I78 HydrophobicContact CD2-CG2 4.1Å; M68-I78 HydrophobicContact CE-CG2 3.62Å; M68-I78 HydrophobicContact SD-CG2 4.42Å; L76-I78 HydrophobicContact CD1-CG2 3.64Å; I78-I80 HydrophobicContact CD1-CD1 4.33Å; I78-I80 HydrophobicContact CD1-CG1 4.09Å; I78-P84 WeakPolarHBondContact O-CA 3.23Å; I78-V85 HydrophobicContact CG1-CB 3.98Å; I78-V85 PolarHBondContact N-O 2.77Å; I78-V85 PolarHBondContact O-N 2.82Å; I78-V87 HydrophobicContact CD1-CG2 4.32Å; I78-V87 HydrophobicContact CG1-CG2 3.99Å
79R96.4Very high97.2Very high29 Ų2933.1 Ų33.111%0.10918%0.181CC..EExtended strand (participates in β ladder)trans-135.6134174.1-162.5-178.5-62.9-92.1-7.8109.5E44 G52 H53 G81 S82 T83E44-R79 IonicContact OE1-CZ 3.44Å; E44-R79 IonicContact OE1-NE 3.47Å; E44-R79 PolarHBondContact OE1-NE 2.84Å; E44-R79 IonicContact OE1-NH2 3.79Å; E44-R79 PolarHBondContact OE1-NH2 3.3Å; E44-R79 IonicContact OE2-NH2 2.91Å; G52-R79 CarbonylContact C-O 3.41Å; G52-R79 WeakPolarHBondContact CA-O 3.37Å; H53-R79 PolarHBondContact N-O 2.91Å; H53-R79 PolarHBondContact ND1-N 3Å; H53-R79 PolarHBondContact ND1-O 3.46Å; R79-G81 VanDerWaalsContact CD-O 3.32Å; R79-G81 WeakPolarHBondContact CD-O 3.23Å; R79-G81 VanDerWaalsContact CG-O 3.28Å; R79-G81 WeakPolarHBondContact CG-O 3.46Å; R79-S82 PolarHBondContact NH1-O 3.2Å; R79-T83 WeakPolarHBondContact CA-O 3.16Å; R79-T83 WeakPolarHBondContact CG-O 3.05Å
80I97.2Very high97.2Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-117.1115.3170.9-51.4178.5000106.2V54 L57 I78 S82 T83 V85 F238 F239 F408V54-I80 HydrophobicContact CB-CG2 4.12Å; V54-I80 HydrophobicContact CG2-CG2 4.11Å; L57-I80 HydrophobicContact CD1-CD1 3.62Å; L57-I80 HydrophobicContact CD1-CG1 3.98Å; I78-I80 HydrophobicContact CD1-CD1 4.33Å; I78-I80 HydrophobicContact CD1-CG1 4.09Å; I80-S82 PolarHBondContact O-N 2.95Å; I80-T83 PolarHBondContact N-O 3.39Å; I80-T83 PolarHBondContact O-N 2.92Å; I80-T83 VanDerWaalsContact O-N 3.08Å; I80-V85 HydrophobicContact CD1-CG2 4.31Å; I80-V85 HydrophobicContact CG1-CG2 4.35Å; I80-F238 HydrophobicContact CB-CB 3.96Å; I80-F238 HydrophobicContact CB-CD1 3.9Å; I80-F238 HydrophobicContact CB-CD2 4.04Å; I80-F238 HydrophobicContact CB-CE1 4.42Å; I80-F238 HydrophobicContact CB-CG 3.68Å; I80-F238 HydrophobicContact CD1-CD2 4.08Å; I80-F238 HydrophobicContact CD1-CE1 4.41Å; I80-F238 HydrophobicContact CD1-CE2 3.86Å; I80-F238 HydrophobicContact CD1-CG 4.48Å; I80-F238 HydrophobicContact CD1-CZ 4.03Å; I80-F238 HydrophobicContact CG2-CB 3.51Å; I80-F238 HydrophobicContact CG2-CD1 4.27Å; I80-F238 HydrophobicContact CG2-CD2 3.63Å; I80-F238 HydrophobicContact CG2-CE2 4.45Å; I80-F238 HydrophobicContact CG2-CG 3.53Å; I80-F239 HydrophobicContact CG2-CE2 3.84Å; I80-F239 HydrophobicContact CG2-CZ 4.5Å; I80-F408 HydrophobicContact CD1-CE2 4.08Å; I80-F408 HydrophobicContact CD1-CZ 4.29Å
81G94.6Very high97.3Very high2 Ų227.4 Ų27.42%0.02116%0.155CC..THydrogen-bonded Turntrans62.7-123.4-16500000110.4L50 L51 R79 F239L50-G81 CarbonylContact O-C 3.4Å; L50-G81 VanDerWaalsContact O-CA 3.31Å; L50-G81 WeakPolarHBondContact O-CA 3.27Å; L51-G81 PolarHBondContact O-N 3Å; R79-G81 VanDerWaalsContact CD-O 3.32Å; R79-G81 WeakPolarHBondContact CD-O 3.23Å; R79-G81 VanDerWaalsContact CG-O 3.28Å; R79-G81 WeakPolarHBondContact CG-O 3.46Å; G81-F239 VanDerWaalsContact N-CZ 3.26Å
82S91.8Very high97.4Very high67 Ų6726.1 Ų26.147%0.46915%0.149SC..THydrogen-bonded Turntrans-94.1-11.3172.755.10000114R79 I80R79-S82 PolarHBondContact NH1-O 3.2Å; I80-S82 PolarHBondContact O-N 2.95Å
83T95Very high97.5Very high50 Ų5021.9 Ų21.931%0.30713%0.133SC..EExtended strand (participates in β ladder)trans-84121.8-169.6-55.40000111.5R79 I80 F238R79-T83 WeakPolarHBondContact CA-O 3.16Å; R79-T83 WeakPolarHBondContact CG-O 3.05Å; I80-T83 PolarHBondContact N-O 3.39Å; I80-T83 PolarHBondContact O-N 2.92Å; I80-T83 VanDerWaalsContact O-N 3.08Å; T83-F238 HydrophobicContact CG2-CD1 3.99Å; T83-F238 HydrophobicContact CG2-CE1 4.06Å
84P95.6Very high97.5Very high43 Ų4320.3 Ų20.328%0.27912%0.117SC..EExtended strand (participates in β ladder)trans-71138.6173.530.3-33.2000110.7Q77 I78Q77-P84 HydrophobicContact CG-CB 4.5Å; I78-P84 WeakPolarHBondContact O-CA 3.23Å
85V98.4Very high97.5Very high0 Ų021.3 Ų21.30%012%0.116CC..EExtended strand (participates in β ladder)trans-131.2122.1176-178.40000108.4I78 I80 F238 C406 F408I78-V85 HydrophobicContact CG1-CB 3.98Å; I78-V85 PolarHBondContact N-O 2.77Å; I78-V85 PolarHBondContact O-N 2.82Å; I80-V85 HydrophobicContact CD1-CG2 4.31Å; I80-V85 HydrophobicContact CG1-CG2 4.35Å; V85-F238 HydrophobicContact CG2-CE1 3.91Å; V85-F238 HydrophobicContact CG2-CZ 4.35Å; V85-C406 CarbonylContact C-O 3.56Å; V85-C406 WeakPolarHBondContact CA-O 3.13Å; V85-C406 HydrophobicContact CG2-CB 4.25Å; V85-F408 HydrophobicContact CG1-CB 4.43Å; V85-F408 HydrophobicContact CG1-CD1 3.83Å; V85-F408 HydrophobicContact CG1-CD2 3.76Å; V85-F408 HydrophobicContact CG1-CE1 3.92Å; V85-F408 HydrophobicContact CG1-CE2 3.86Å; V85-F408 HydrophobicContact CG1-CG 3.73Å; V85-F408 HydrophobicContact CG1-CZ 3.93Å
86L98.7Very high97.5Very high1 Ų123.1 Ų23.11%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-77.7133.4170.8-173.372.8000108.9P42 V75 L88 F105 I401 C406 V407 F408P42-L86 HydrophobicContact CB-CD1 4.18Å; P42-L86 HydrophobicContact CG-CD1 3.77Å; V75-L86 HydrophobicContact CG1-CD1 3.86Å; L86-L88 HydrophobicContact CD1-CD2 4.5Å; L86-L88 HydrophobicContact CD2-CD2 3.83Å; L86-L88 HydrophobicContact CD2-CG 4.27Å; L86-L88 HydrophobicContact CG-CD2 3.92Å; L86-L88 HydrophobicContact CG-CG 4.42Å; L86-F105 HydrophobicContact CD2-CE1 4.13Å; L86-I401 HydrophobicContact CD1-CD1 4.48Å; L86-I401 HydrophobicContact CD1-CG1 4.45Å; L86-I401 HydrophobicContact CD2-CD1 3.49Å; L86-I401 VanDerWaalsContact CD2-CD1 3.49Å; L86-I401 HydrophobicContact CD2-CG1 4.02Å; L86-I401 HydrophobicContact CD2-CG2 4.1Å; L86-C406 PolarHBondContact N-O 3.18Å; L86-V407 HydrophobicContact CB-CB 4.46Å; L86-V407 HydrophobicContact CB-CG1 4.26Å; L86-V407 HydrophobicContact CB-CG2 4.14Å; L86-V407 HydrophobicContact CD2-CG1 4.03Å; L86-V407 HydrophobicContact CD2-CG2 4.06Å; L86-V407 HydrophobicContact CG-CG1 4.35Å; L86-V407 CarbonylContact O-C 3.23Å; L86-V407 VanDerWaalsContact O-CA 3.3Å; L86-V407 WeakPolarHBondContact O-CA 3.35Å; L86-F408 PolarHBondContact O-N 3.12Å
87V98.8Very high97.6Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-115.6121.7175.1-177.60000107.9L65 L76 I78 F408L65-V87 HydrophobicContact CB-CG1 4.23Å; L65-V87 HydrophobicContact CD1-CG1 4.08Å; L65-V87 HydrophobicContact CD1-CG2 3.94Å; L65-V87 HydrophobicContact CD2-CG1 4.36Å; L65-V87 HydrophobicContact CD2-CG2 3.91Å; L65-V87 HydrophobicContact CG-CG1 4.46Å; L76-V87 HydrophobicContact CD1-CB 3.74Å; L76-V87 HydrophobicContact CD1-CG2 3.98Å; L76-V87 HydrophobicContact CG-CB 4.01Å; L76-V87 PolarHBondContact N-O 3.37Å; L76-V87 PolarHBondContact O-N 3.49Å; I78-V87 HydrophobicContact CD1-CG2 4.32Å; I78-V87 HydrophobicContact CG1-CG2 3.99Å; V87-F408 WeakPolarHBondContact CA-O 3.45Å; V87-F408 HydrophobicContact CG2-CB 4.44Å
88L98.9Very high97.6Very high0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-104.5125.7175.5-56.5-173.5000109.9D74 V75 L86 T93 I94 A97 F105 L396 V407 F408 I409 N410D74-L88 WeakPolarHBondContact O-CA 3.42Å; V75-L88 HydrophobicContact CB-CD2 4.4Å; V75-L88 HydrophobicContact CG1-CD2 4.1Å; V75-L88 HydrophobicContact CG2-CD2 4.14Å; L86-L88 HydrophobicContact CD1-CD2 4.5Å; L86-L88 HydrophobicContact CD2-CD2 3.83Å; L86-L88 HydrophobicContact CD2-CG 4.27Å; L86-L88 HydrophobicContact CG-CD2 3.92Å; L86-L88 HydrophobicContact CG-CG 4.42Å; L88-T93 HydrophobicContact CD2-CG2 4.43Å; L88-I94 HydrophobicContact CB-CG1 3.94Å; L88-A97 HydrophobicContact CD1-CB 3.52Å; L88-F105 HydrophobicContact CD1-CE1 4.38Å; L88-L396 HydrophobicContact CD1-CD2 3.93Å; L88-L396 HydrophobicContact CD2-CD2 3.58Å; L88-L396 HydrophobicContact CG-CD2 4.45Å; L88-V407 HydrophobicContact CD1-CG1 3.86Å; L88-V407 HydrophobicContact CG-CG1 3.84Å; L88-F408 PolarHBondContact N-O 3.01Å; L88-I409 HydrophobicContact CB-CD1 3.92Å; L88-I409 HydrophobicContact CD1-CD1 3.71Å; L88-I409 HydrophobicContact CG-CD1 4.09Å; L88-N410 PolarHBondContact O-N 2.81Å
89S98.6Very high97.6Very high0 Ų025.7 Ų25.70%014%0.141CC..  trans-122.6174.3171.4-58.70000109S69 D74 T93S69-S89 VanDerWaalsContact CB-OG 3.28Å; S69-S89 WeakPolarHBondContact CB-OG 3.35Å; S69-S89 PolarHBondContact OG-OG 3.33Å; D74-S89 WeakPolarHBondContact CB-O 3.16Å; D74-S89 PolarHBondContact O-N 2.99Å; S89-T93 WeakPolarHBondContact O-CB 3Å
90G98.3Very high97.7Very high4 Ų433 Ų334%0.04117%0.169CC..SBendtrans75.4129.2177.900000113.2D92 T93 I94G90-D92 VanDerWaalsContact C-N 3.35Å; G90-D92 PolarHBondContact O-N 3.08Å; G90-T93 PolarHBondContact O-N 3.34Å; G90-I94 WeakPolarHBondContact O-CB 3.13Å; G90-I94 WeakPolarHBondContact O-CD1 3.45Å; G90-I94 VanDerWaalsContact O-CG1 3.25Å; G90-I94 WeakPolarHBondContact O-CG1 3.26Å; G90-I94 PolarHBondContact O-N 3.36Å
91L98.5Very high97.8Very high17 Ų1734.6 Ų34.69%0.08918%0.176CC..Hα-helixtrans-60.3-42.4-172.7-179.759000112.7R95 V414 L420 K447L91-R95 VanDerWaalsContact O-CB 3.26Å; L91-R95 WeakPolarHBondContact O-CB 3.23Å; L91-R95 PolarHBondContact O-N 2.87Å; L91-V414 HydrophobicContact CB-CG1 4.05Å; L91-V414 HydrophobicContact CD1-CG1 4.15Å; L91-L420 HydrophobicContact CB-CD1 4.31Å; L91-K447 HydrophobicContact CD2-CB 3.97Å; L91-K447 HydrophobicContact CD2-CG 3.92Å
92D98.4Very high98Very high112 Ų11234.7 Ų34.760%0.59918%0.177SC*.Hα-helixtrans-74.9-39.7-176.3-70.3-38.7000112.8G90 R95 Q96G90-D92 VanDerWaalsContact C-N 3.35Å; G90-D92 PolarHBondContact O-N 3.08Å; D92-R95 PolarHBondContact O-N 3.39Å; D92-R95 IonicContact OD1-NH1 3.35Å; D92-R95 PolarHBondContact OD1-NH1 3.28Å; D92-Q96 WeakPolarHBondContact O-CB 3.42Å; D92-Q96 PolarHBondContact O-N 3.13Å
93T98.7Very high98.3Very high9 Ų934.6 Ų34.66%0.05517%0.172CC..Hα-helixtrans-62.3-45.7174.1-66.90000111D74 V75 L88 S89 G90 R95 Q96 A97 L396 N397D74-T93 HydrophobicContact CB-CG2 3.87Å; D74-T93 VanDerWaalsContact CB-OG1 3.32Å; D74-T93 WeakPolarHBondContact CB-OG1 3.36Å; D74-T93 PolarHBondContact OD2-OG1 3.08Å; V75-T93 HydrophobicContact CG2-CG2 3.43Å; V75-T93 VanDerWaalsContact CG2-CG2 3.43Å; L88-T93 HydrophobicContact CD2-CG2 4.43Å; S89-T93 WeakPolarHBondContact O-CB 3Å; G90-T93 PolarHBondContact O-N 3.34Å; T93-R95 VanDerWaalsContact C-N 3.34Å; T93-R95 PolarHBondContact O-N 3.29Å; T93-Q96 WeakPolarHBondContact O-CB 3.41Å; T93-Q96 PolarHBondContact O-N 3.1Å; T93-A97 PolarHBondContact O-N 2.84Å; T93-L396 HydrophobicContact CG2-CD2 4.24Å; T93-N397 PolarHBondContact OG1-ND2 3.46Å; T93-N397 VanDerWaalsContact OG1-ND2 3.13Å
94I98.8Very high98.5Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-64.3-40.7176.6-67.8168.2000110.8L88 G90 Q96 A97 L98 I409 V414 M449 L453L88-I94 HydrophobicContact CB-CG1 3.94Å; G90-I94 WeakPolarHBondContact O-CB 3.13Å; G90-I94 WeakPolarHBondContact O-CD1 3.45Å; G90-I94 VanDerWaalsContact O-CG1 3.25Å; G90-I94 WeakPolarHBondContact O-CG1 3.26Å; G90-I94 PolarHBondContact O-N 3.36Å; I94-Q96 VanDerWaalsContact C-N 3.34Å; I94-Q96 PolarHBondContact O-N 3.08Å; I94-A97 PolarHBondContact O-N 3.13Å; I94-L98 HydrophobicContact CG2-CD1 3.72Å; I94-L98 HydrophobicContact CG2-CG 4.1Å; I94-L98 WeakPolarHBondContact O-CB 3.19Å; I94-L98 PolarHBondContact O-N 2.71Å; I94-I409 HydrophobicContact CD1-CG2 3.83Å; I94-I409 HydrophobicContact CG1-CG2 4.04Å; I94-I409 HydrophobicContact CG2-CG2 3.61Å; I94-V414 HydrophobicContact CD1-CG2 3.64Å; I94-M449 HydrophobicContact CD1-SD 4.01Å; I94-M449 HydrophobicContact CG2-CE 3.6Å; I94-M449 HydrophobicContact CG2-SD 3.88Å; I94-L453 HydrophobicContact CG2-CD1 4.22Å
95R98.7Very high98.6Very high82 Ų8231.5 Ų31.531%0.30915%0.151SC..Hα-helixtrans-63.1-40.3175.3-175.3-179.6-68.7125.9-4.7111.6L91 D92 T93 V99 R100 L453L91-R95 VanDerWaalsContact O-CB 3.26Å; L91-R95 WeakPolarHBondContact O-CB 3.23Å; L91-R95 PolarHBondContact O-N 2.87Å; D92-R95 PolarHBondContact O-N 3.39Å; D92-R95 IonicContact OD1-NH1 3.35Å; D92-R95 PolarHBondContact OD1-NH1 3.28Å; T93-R95 VanDerWaalsContact C-N 3.34Å; T93-R95 PolarHBondContact O-N 3.29Å; R95-V99 HydrophobicContact CG-CB 4.3Å; R95-V99 HydrophobicContact CG-CG2 4.1Å; R95-V99 WeakPolarHBondContact O-CA 3.2Å; R95-V99 WeakPolarHBondContact O-CB 3.47Å; R95-V99 PolarHBondContact O-N 3.41Å; R95-R100 PolarHBondContact O-N 3.45Å; R95-L453 HydrophobicContact CB-CD1 4.38Å
96Q98.7Very high98.6Very high44 Ų4433.7 Ų33.721%0.20616%0.16CC..Iπ-helixtrans-58.2-50.6174.1179.166.332.200110.7D92 T93 I94 R100 Q101 L396D92-Q96 WeakPolarHBondContact O-CB 3.42Å; D92-Q96 PolarHBondContact O-N 3.13Å; T93-Q96 WeakPolarHBondContact O-CB 3.41Å; T93-Q96 PolarHBondContact O-N 3.1Å; I94-Q96 VanDerWaalsContact C-N 3.34Å; I94-Q96 PolarHBondContact O-N 3.08Å; Q96-R100 WeakPolarHBondContact O-CB 3.35Å; Q96-R100 PolarHBondContact O-N 3.22Å; Q96-Q101 PolarHBondContact O-N 3.08Å; Q96-L396 HydrophobicContact CB-CD1 4.15Å; Q96-L396 HydrophobicContact CG-CD1 3.61Å
97A98.8Very high98.6Very high0 Ų033.8 Ų33.80%016%0.161CC..Iπ-helixtrans-67.2-53.4-179.100000112.9L88 T93 I94 Q101 G102 F105 L396L88-A97 HydrophobicContact CD1-CB 3.52Å; T93-A97 PolarHBondContact O-N 2.84Å; I94-A97 PolarHBondContact O-N 3.13Å; A97-Q101 CarbonylContact O-C 3.4Å; A97-G102 PolarHBondContact O-N 2.97Å; A97-F105 HydrophobicContact CB-CD1 4.32Å; A97-F105 HydrophobicContact CB-CD2 3.91Å; A97-F105 HydrophobicContact CB-CE1 4.31Å; A97-F105 HydrophobicContact CB-CE2 3.91Å; A97-F105 HydrophobicContact CB-CG 4.13Å; A97-F105 HydrophobicContact CB-CZ 4.11Å; A97-F105 VanDerWaalsContact O-CD2 3.25Å; A97-F105 WeakPolarHBondContact O-CD2 3.34Å; A97-L396 HydrophobicContact CB-CD1 4.06Å; A97-L396 HydrophobicContact CB-CD2 3.96Å
98L98.8Very high98.6Very high4 Ų434.7 Ų34.72%0.02117%0.165CC..Iπ-helixtrans-83.1-28.1-168.7-61.2-171.2000113.7I94 G102 F105 I409 M449 L453 G454I94-L98 HydrophobicContact CG2-CD1 3.72Å; I94-L98 HydrophobicContact CG2-CG 4.1Å; I94-L98 WeakPolarHBondContact O-CB 3.19Å; I94-L98 PolarHBondContact O-N 2.71Å; L98-G102 WeakPolarHBondContact O-CA 3.48Å; L98-F105 HydrophobicContact CD2-CB 3.93Å; L98-I409 HydrophobicContact CD1-CD1 4.21Å; L98-I409 HydrophobicContact CD1-CG1 4.09Å; L98-I409 HydrophobicContact CD1-CG2 4.08Å; L98-I409 HydrophobicContact CD2-CD1 4Å; L98-I409 HydrophobicContact CD2-CG1 4.39Å; L98-I409 HydrophobicContact CG-CD1 4.3Å; L98-M449 HydrophobicContact CD1-CE 4.33Å; L98-L453 HydrophobicContact CB-CB 4.05Å; L98-L453 HydrophobicContact CD1-CB 4.13Å; L98-G454 VanDerWaalsContact O-CA 3.31Å; L98-G454 WeakPolarHBondContact O-CA 3.45Å
99V98.5Very high98.6Very high75 Ų7535.2 Ų35.246%0.45517%0.168SC..Iπ-helixtrans-101.7-61.7-177.8-173.60000110.6R95 G102 L453R95-V99 HydrophobicContact CG-CB 4.3Å; R95-V99 HydrophobicContact CG-CG2 4.1Å; R95-V99 WeakPolarHBondContact O-CA 3.2Å; R95-V99 WeakPolarHBondContact O-CB 3.47Å; R95-V99 PolarHBondContact O-N 3.41Å; V99-G102 PolarHBondContact O-N 2.8Å; V99-L453 HydrophobicContact CG2-CB 4.02Å
100R98.5Very high98.5Very high184 Ų18441.4 Ų41.469%0.69420%0.201SC*.Iπ-helixtrans-70.4-39.4-173.8-64.9171.1176.4174.12.1111.8R95 Q96R95-R100 PolarHBondContact O-N 3.45Å; Q96-R100 WeakPolarHBondContact O-CB 3.35Å; Q96-R100 PolarHBondContact O-N 3.22Å
101Q98.6Very high98.4Very high33 Ų3341.9 Ų41.915%0.15420%0.203CC..THydrogen-bonded Turntrans-10428.1173.8-67.4172.3-121.100111.8Q96 A97 D103 D104 F105 T394 T395Q96-Q101 PolarHBondContact O-N 3.08Å; A97-Q101 CarbonylContact O-C 3.4Å; Q101-D103 PolarHBondContact O-N 3.04Å; Q101-D104 HydrophobicContact CB-CB 4.4Å; Q101-D104 WeakPolarHBondContact O-CA 3.38Å; Q101-D104 WeakPolarHBondContact O-CB 3.32Å; Q101-D104 PolarHBondContact O-N 3.24Å; Q101-F105 HydrophobicContact CB-CD2 4.06Å; Q101-F105 HydrophobicContact CB-CE2 4.1Å; Q101-F105 PolarHBondContact O-N 2.85Å; Q101-T394 PolarHBondContact NE2-OG1 2.76Å; Q101-T394 VanDerWaalsContact NE2-OG1 3.1Å; Q101-T395 PolarHBondContact NE2-O 3.43Å
102G98.3Very high98.4Very high4 Ų443.4 Ų43.44%0.04121%0.208CC..THydrogen-bonded Turntrans-59-27.3-168.400000115.2A97 L98 V99 D104 K106A97-G102 PolarHBondContact O-N 2.97Å; L98-G102 WeakPolarHBondContact O-CA 3.48Å; V99-G102 PolarHBondContact O-N 2.8Å; G102-D104 VanDerWaalsContact C-N 3.34Å; G102-K106 VanDerWaalsContact O-CB 3.31Å; G102-K106 WeakPolarHBondContact O-CB 3.44Å; G102-K106 PolarHBondContact O-N 3.2Å
103D98.6Very high98.3Very high65 Ų6538 Ų3835%0.34818%0.179SC..THydrogen-bonded Turntrans-73.5-24.6174.9-76.3-58.1000113.5Q101 K106 T391 K455Q101-D103 PolarHBondContact O-N 3.04Å; D103-K106 WeakPolarHBondContact OD1-CE 3.44Å; D103-K106 IonicContact OD1-NZ 3.28Å; D103-K106 PolarHBondContact OD1-NZ 3.35Å; D103-T391 PolarHBondContact O-OG1 3.39Å; D103-K455 IonicContact OD1-NZ 3.85Å; D103-K455 WeakPolarHBondContact OD2-CE 3.43Å; D103-K455 IonicContact OD2-NZ 3.64Å; D103-K455 PolarHBondContact OD2-NZ 2.91Å
104D98.7Very high98.3Very high26 Ų2638 Ų3814%0.13918%0.178CC..THydrogen-bonded Turntrans-75.3-37.9174.3-60.4-9.1000110.3Q101 G102 T390 T391 R392 T394Q101-D104 HydrophobicContact CB-CB 4.4Å; Q101-D104 WeakPolarHBondContact O-CA 3.38Å; Q101-D104 WeakPolarHBondContact O-CB 3.32Å; Q101-D104 PolarHBondContact O-N 3.24Å; G102-D104 VanDerWaalsContact C-N 3.34Å; D104-T390 CarbonylContact O-C 3.5Å; D104-T390 WeakPolarHBondContact O-CA 3.45Å; D104-T391 PolarHBondContact O-N 2.91Å; D104-T391 PolarHBondContact O-OG1 2.93Å; D104-R392 WeakPolarHBondContact OD1-CD 3.26Å; D104-R392 IonicContact OD1-NE 3.84Å; D104-T394 HydrophobicContact CB-CG2 4.31Å; D104-T394 WeakPolarHBondContact OD2-CB 3.4Å; D104-T394 PolarHBondContact OD2-OG1 3.15Å
105F98.8Very high98.2Very high2 Ų240.7 Ų40.71%0.00920%0.195CC..SBendtrans-1039.9-172.5-68.8-91.7000115L86 L88 A97 L98 Q101 G107 H388 T390 T394 L396 I401 V407L86-F105 HydrophobicContact CD2-CE1 4.13Å; L88-F105 HydrophobicContact CD1-CE1 4.38Å; A97-F105 HydrophobicContact CB-CD1 4.32Å; A97-F105 HydrophobicContact CB-CD2 3.91Å; A97-F105 HydrophobicContact CB-CE1 4.31Å; A97-F105 HydrophobicContact CB-CE2 3.91Å; A97-F105 HydrophobicContact CB-CG 4.13Å; A97-F105 HydrophobicContact CB-CZ 4.11Å; A97-F105 VanDerWaalsContact O-CD2 3.25Å; A97-F105 WeakPolarHBondContact O-CD2 3.34Å; L98-F105 HydrophobicContact CD2-CB 3.93Å; Q101-F105 HydrophobicContact CB-CD2 4.06Å; Q101-F105 HydrophobicContact CB-CE2 4.1Å; Q101-F105 PolarHBondContact O-N 2.85Å; F105-G107 VanDerWaalsContact C-N 3.33Å; F105-G107 PolarHBondContact O-N 2.81Å; F105-H388 PolarHBondContact O-ND1 3.11Å; F105-T390 HydrophobicContact CD1-CG2 3.95Å; F105-T390 HydrophobicContact CE1-CG2 3.75Å; F105-T390 HydrophobicContact CZ-CG2 4.3Å; F105-T394 HydrophobicContact CE2-CG2 3.97Å; F105-T394 HydrophobicContact CZ-CG2 3.86Å; F105-L396 HydrophobicContact CZ-CB 4.41Å; F105-L396 HydrophobicContact CZ-CD2 4.19Å; F105-I401 HydrophobicContact CE1-CD1 4.23Å; F105-I401 HydrophobicContact CZ-CD1 3.82Å; F105-V407 HydrophobicContact CD1-CG1 4.45Å; F105-V407 HydrophobicContact CD1-CG2 4.11Å; F105-V407 HydrophobicContact CE1-CG2 4.23Å
106K98.6Very high98.1Very high46 Ų4639.3 Ų39.320%0.219%0.191CC..  trans-82.10-177.667.1179.7177.8-167.60115.3G102 D103 S129 W133 T391 K455 R456G102-K106 VanDerWaalsContact O-CB 3.31Å; G102-K106 WeakPolarHBondContact O-CB 3.44Å; G102-K106 PolarHBondContact O-N 3.2Å; D103-K106 WeakPolarHBondContact OD1-CE 3.44Å; D103-K106 IonicContact OD1-NZ 3.28Å; D103-K106 PolarHBondContact OD1-NZ 3.35Å; K106-S129 WeakPolarHBondContact CE-O 3.25Å; K106-S129 WeakPolarHBondContact O-CB 3.19Å; K106-W133 HydrophobicContact CD-CZ3 4.33Å; K106-T391 HydrophobicContact CG-CG2 3.96Å; K106-K455 HydrophobicContact CB-CB 4.03Å; K106-K455 HydrophobicContact CB-CG 4.44Å; K106-R456 HydrophobicContact CB-CG 4.39Å; K106-R456 PolarHBondContact O-NE 3.48Å; K106-R456 PolarHBondContact O-NH2 3.46Å
107G98.7Very high98Very high3 Ų337.6 Ų37.63%0.03118%0.183CC..BIsolated β-bridgetrans-68.2167179.700000112.8F105 H388 S389F105-G107 VanDerWaalsContact C-N 3.33Å; F105-G107 PolarHBondContact O-N 2.81Å; G107-H388 CarbonylContact O-C 3.41Å; G107-H388 WeakPolarHBondContact O-CA 3.18Å; G107-S389 WeakPolarHBondContact CA-O 3.15Å; G107-S389 PolarHBondContact N-O 2.94Å; G107-S389 PolarHBondContact O-N 2.61Å
108R98.6Very high97.7Very high19 Ų1938 Ų387%0.07219%0.186CC..  trans-116.9140.7161.7-68.7-59.9-170.2-155.3-1.3108.7S124 S126 I386 P387 S389R108-S124 PolarHBondContact NE-O 2.72Å; R108-S126 WeakPolarHBondContact CB-O 3.5Å; R108-S126 WeakPolarHBondContact CG-O 3.49Å; R108-I386 PolarHBondContact NH1-O 3.04Å; R108-P387 WeakPolarHBondContact CD-O 3.48Å; R108-P387 PolarHBondContact NH1-O 3.19Å; R108-S389 VanDerWaalsContact C-CB 3.46Å
109P97.8Very high97.2Very high10 Ų1042.3 Ų42.37%0.06521%0.209CC..  trans-71.7147.917428.4-29.2000110L111 P387 C406P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 HydrophobicContact CB-CD2 3.95Å; P109-L111 HydrophobicContact CB-CG 4.04Å; P109-L111 HydrophobicContact CG-CD1 3.98Å; P109-L111 HydrophobicContact CG-CD2 4.14Å; P109-L111 HydrophobicContact CG-CG 3.84Å; P109-L111 PolarHBondContact O-N 3.1Å; P109-P387 WeakPolarHBondContact CD-O 3.41Å; P109-P387 HydrophobicContact CG-CB 3.64Å; P109-C406 HydrophobicContact CB-CB 4.3Å
110D96.8Very high96.9Very high130 Ų13039.6 Ų39.670%0.69520%0.196SC*.  trans-81.676.1177.6-168.122.9000110.6P127D110-P127 HydrophobicContact CB-CG 3.97Å
111L97.4Very high96.7Very high14 Ų1434.2 Ų34.27%0.07318%0.179CC..  trans-88.5143.8-178.5-56.1-176.1000111.1P109 S113 F114 T115 D237 F238 P387P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 HydrophobicContact CB-CD2 3.95Å; P109-L111 HydrophobicContact CB-CG 4.04Å; P109-L111 HydrophobicContact CG-CD1 3.98Å; P109-L111 HydrophobicContact CG-CD2 4.14Å; P109-L111 HydrophobicContact CG-CG 3.84Å; P109-L111 PolarHBondContact O-N 3.1Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.79Å; L111-F114 HydrophobicContact CB-CB 4.44Å; L111-F114 HydrophobicContact CB-CD1 4.45Å; L111-F114 HydrophobicContact CB-CD2 4.08Å; L111-F114 HydrophobicContact CB-CE2 4.45Å; L111-F114 HydrophobicContact CB-CG 4.07Å; L111-F114 HydrophobicContact CD1-CD2 4.26Å; L111-F114 HydrophobicContact CD1-CE1 4.26Å; L111-F114 HydrophobicContact CD1-CE2 3.79Å; L111-F114 HydrophobicContact CD1-CZ 3.78Å; L111-F114 HydrophobicContact CG-CD2 4.29Å; L111-F114 HydrophobicContact CG-CE2 4.25Å; L111-F114 WeakPolarHBondContact O-CB 3.25Å; L111-F114 PolarHBondContact O-N 3.23Å; L111-F114 VanDerWaalsContact O-N 3.09Å; L111-T115 PolarHBondContact O-N 2.92Å; L111-D237 HydrophobicContact CB-CB 4.21Å; L111-D237 HydrophobicContact CD2-CB 4.15Å; L111-F238 HydrophobicContact CD2-CZ 4.44Å; L111-P387 HydrophobicContact CD1-CG 4.33Å
112Y97.4Very high96.7Very high49 Ų4932.7 Ų32.719%0.19217%0.171CC..THydrogen-bonded Turntrans-62.8-38.7-178.5175.7-106.9000112.7F114 T115 F116 V236 D237 R243 L250 K254Y112-F114 VanDerWaalsContact C-N 3.25Å; Y112-F114 PolarHBondContact O-N 2.95Å; Y112-T115 PolarHBondContact O-N 2.91Å; Y112-T115 PolarHBondContact O-OG1 3.42Å; Y112-F116 AromaticContact CD1-CE2 3.95Å; Y112-F116 HydrophobicContact CD1-CE2 3.95Å; Y112-F116 HydrophobicContact CD2-CE2 4.11Å; Y112-F116 HydrophobicContact CD2-CZ 4.48Å; Y112-F116 AromaticContact CE1-CE2 3.53Å; Y112-F116 HydrophobicContact CE1-CE2 3.53Å; Y112-F116 HydrophobicContact CE1-CZ 4.05Å; Y112-F116 AromaticContact CE2-CE2 3.71Å; Y112-F116 HydrophobicContact CE2-CE2 3.71Å; Y112-F116 AromaticContact CE2-CZ 3.71Å; Y112-F116 HydrophobicContact CE2-CZ 3.71Å; Y112-F116 HydrophobicContact CG-CE2 4.24Å; Y112-F116 AromaticContact CZ-CE2 3.4Å; Y112-F116 VanDerWaalsContact CZ-CE2 3.4Å; Y112-F116 AromaticContact CZ-CZ 3.45Å; Y112-F116 VanDerWaalsContact CZ-CZ 3.45Å; Y112-F116 VanDerWaalsContact O-CD2 3.27Å; Y112-F116 WeakPolarHBondContact O-CD2 3.17Å; Y112-F116 VanDerWaalsContact O-CE2 3.26Å; Y112-F116 WeakPolarHBondContact O-CE2 3.25Å; Y112-F116 WeakPolarHBondContact OH-CZ 3.39Å; Y112-V236 HydrophobicContact CD1-CG2 3.89Å; Y112-V236 HydrophobicContact CE1-CG2 4.11Å; Y112-D237 PolarHBondContact N-OD1 2.88Å; Y112-R243 HydrophobicContact CD1-CG 3.75Å; Y112-R243 HydrophobicContact CE1-CB 4.01Å; Y112-R243 HydrophobicContact CE1-CG 3.71Å; Y112-R243 HydrophobicContact CG-CG 4.2Å; Y112-L250 HydrophobicContact CE1-CD1 4.14Å; Y112-L250 HydrophobicContact CE1-CD2 4.04Å; Y112-K254 PolarHBondContact OH-NZ 3.37Å
113S97Very high96.6Very high0 Ų033 Ų330%017%0.172CC..THydrogen-bonded Turntrans-59.1-38.9174.659.50000111.3L111 T115 F116 D237 F253L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.79Å; S113-T115 VanDerWaalsContact C-N 3.29Å; S113-T115 PolarHBondContact O-N 2.85Å; S113-F116 PolarHBondContact O-N 2.89Å; S113-D237 WeakPolarHBondContact CB-OD1 3.48Å; S113-D237 PolarHBondContact N-OD1 3.16Å; S113-D237 VanDerWaalsContact OG-CG 3.26Å; S113-D237 PolarHBondContact OG-OD1 2.95Å; S113-D237 VanDerWaalsContact OG-OD1 3.04Å; S113-D237 PolarHBondContact OG-OD2 3.46Å; S113-F253 VanDerWaalsContact O-CE1 3.32Å; S113-F253 WeakPolarHBondContact O-CE1 3.22Å
114F97.6Very high96.6Very high7 Ų731.2 Ų31.23%0.03116%0.164CC..G310 helixtrans-70.6-23.5-176.3-66.9-0000113L111 Y112 F116 I117 F125 I386 P387L111-F114 HydrophobicContact CB-CB 4.44Å; L111-F114 HydrophobicContact CB-CD1 4.45Å; L111-F114 HydrophobicContact CB-CD2 4.08Å; L111-F114 HydrophobicContact CB-CE2 4.45Å; L111-F114 HydrophobicContact CB-CG 4.07Å; L111-F114 HydrophobicContact CD1-CD2 4.26Å; L111-F114 HydrophobicContact CD1-CE1 4.26Å; L111-F114 HydrophobicContact CD1-CE2 3.79Å; L111-F114 HydrophobicContact CD1-CZ 3.78Å; L111-F114 HydrophobicContact CG-CD2 4.29Å; L111-F114 HydrophobicContact CG-CE2 4.25Å; L111-F114 WeakPolarHBondContact O-CB 3.25Å; L111-F114 PolarHBondContact O-N 3.23Å; L111-F114 VanDerWaalsContact O-N 3.09Å; Y112-F114 VanDerWaalsContact C-N 3.25Å; Y112-F114 PolarHBondContact O-N 2.95Å; F114-F116 PolarHBondContact O-N 3.49Å; F114-I117 HydrophobicContact CD1-CD1 3.95Å; F114-I117 PolarHBondContact O-N 3.46Å; F114-I117 VanDerWaalsContact O-N 3.13Å; F114-F125 HydrophobicContact CB-CB 4.21Å; F114-F125 HydrophobicContact CD1-CB 4.46Å; F114-F125 AromaticContact CD1-CD1 3.73Å; F114-F125 HydrophobicContact CD1-CD1 3.73Å; F114-F125 HydrophobicContact CD1-CE1 4.45Å; F114-F125 HydrophobicContact CD1-CG 4.47Å; F114-F125 HydrophobicContact CD2-CB 4.17Å; F114-F125 HydrophobicContact CD2-CD1 4.14Å; F114-F125 VanDerWaalsContact CD2-O 3.32Å; F114-F125 WeakPolarHBondContact CD2-O 3.26Å; F114-F125 AromaticContact CE1-CD1 3.56Å; F114-F125 HydrophobicContact CE1-CD1 3.56Å; F114-F125 AromaticContact CE1-CE1 3.97Å; F114-F125 HydrophobicContact CE1-CE1 3.97Å; F114-F125 AromaticContact CE2-CD1 3.98Å; F114-F125 HydrophobicContact CE2-CD1 3.98Å; F114-F125 HydrophobicContact CG-CB 4.04Å; F114-F125 HydrophobicContact CG-CD1 4.04Å; F114-F125 HydrophobicContact CG-CG 4.5Å; F114-F125 AromaticContact CZ-CD1 3.69Å; F114-F125 HydrophobicContact CZ-CD1 3.69Å; F114-F125 HydrophobicContact CZ-CE1 4.16Å; F114-I386 HydrophobicContact CE2-CG2 4.19Å; F114-I386 HydrophobicContact CZ-CG2 4.06Å; F114-P387 HydrophobicContact CZ-CG 4.3Å
115T96.9Very high96.6Very high58 Ų5830.7 Ų30.736%0.35616%0.161SC..G310 helixtrans-67-19177.2710000113.1L111 Y112 S113 D119 G120L111-T115 PolarHBondContact O-N 2.92Å; Y112-T115 PolarHBondContact O-N 2.91Å; Y112-T115 PolarHBondContact O-OG1 3.42Å; S113-T115 VanDerWaalsContact C-N 3.29Å; S113-T115 PolarHBondContact O-N 2.85Å; T115-D119 CarbonylContact O-C 3.58Å; T115-G120 PolarHBondContact O-N 3.27Å
116F96.8Very high96.5Very high53 Ų5330.9 Ų30.923%0.23216%0.163CC..G310 helixtrans-88.2-11.7176.5-60-73000113.3Y112 S113 F114 T118 F253 K254 N257Y112-F116 AromaticContact CD1-CE2 3.95Å; Y112-F116 HydrophobicContact CD1-CE2 3.95Å; Y112-F116 HydrophobicContact CD2-CE2 4.11Å; Y112-F116 HydrophobicContact CD2-CZ 4.48Å; Y112-F116 AromaticContact CE1-CE2 3.53Å; Y112-F116 HydrophobicContact CE1-CE2 3.53Å; Y112-F116 HydrophobicContact CE1-CZ 4.05Å; Y112-F116 AromaticContact CE2-CE2 3.71Å; Y112-F116 HydrophobicContact CE2-CE2 3.71Å; Y112-F116 AromaticContact CE2-CZ 3.71Å; Y112-F116 HydrophobicContact CE2-CZ 3.71Å; Y112-F116 HydrophobicContact CG-CE2 4.24Å; Y112-F116 AromaticContact CZ-CE2 3.4Å; Y112-F116 VanDerWaalsContact CZ-CE2 3.4Å; Y112-F116 AromaticContact CZ-CZ 3.45Å; Y112-F116 VanDerWaalsContact CZ-CZ 3.45Å; Y112-F116 VanDerWaalsContact O-CD2 3.27Å; Y112-F116 WeakPolarHBondContact O-CD2 3.17Å; Y112-F116 VanDerWaalsContact O-CE2 3.26Å; Y112-F116 WeakPolarHBondContact O-CE2 3.25Å; Y112-F116 WeakPolarHBondContact OH-CZ 3.39Å; S113-F116 PolarHBondContact O-N 2.89Å; F114-F116 PolarHBondContact O-N 3.49Å; F116-T118 PolarHBondContact O-N 3.22Å; F116-F253 HydrophobicContact CB-CE1 4.02Å; F116-F253 HydrophobicContact CD2-CE1 4.49Å; F116-K254 HydrophobicContact CD1-CD 4.42Å; F116-K254 HydrophobicContact CD1-CG 3.96Å; F116-K254 HydrophobicContact CD2-CG 4.46Å; F116-K254 HydrophobicContact CE1-CD 4.17Å; F116-K254 HydrophobicContact CE1-CG 4.21Å; F116-K254 HydrophobicContact CG-CG 4.12Å; F116-K254 HydrophobicContact CZ-CD 4.39Å; F116-N257 WeakPolarHBondContact O-CB 3.41Å
117I96.4Very high96.5Very high8 Ų831.5 Ų31.54%0.04117%0.171CC..G310 helixtrans-84.9110.3-177-53.2175.5000108.9F114 D119 G120 F125 F226 A230 F253F114-I117 HydrophobicContact CD1-CD1 3.95Å; F114-I117 PolarHBondContact O-N 3.46Å; F114-I117 VanDerWaalsContact O-N 3.13Å; I117-D119 VanDerWaalsContact C-N 3.25Å; I117-D119 PolarHBondContact O-N 2.97Å; I117-G120 PolarHBondContact O-N 2.81Å; I117-G120 VanDerWaalsContact O-N 3.11Å; I117-F125 HydrophobicContact CD1-CB 4.04Å; I117-F125 HydrophobicContact CD1-CD1 3.72Å; I117-F125 HydrophobicContact CD1-CD2 3.82Å; I117-F125 HydrophobicContact CD1-CE1 4.07Å; I117-F125 HydrophobicContact CD1-CE2 4.18Å; I117-F125 HydrophobicContact CD1-CG 3.58Å; I117-F125 HydrophobicContact CD1-CZ 4.29Å; I117-F125 HydrophobicContact CG2-CD2 3.88Å; I117-F125 HydrophobicContact CG2-CE2 4.44Å; I117-F125 HydrophobicContact CG2-CG 4.44Å; I117-F226 HydrophobicContact CD1-CE2 3.91Å; I117-F226 HydrophobicContact CD1-CZ 3.9Å; I117-F226 HydrophobicContact CG1-CE2 3.96Å; I117-F226 HydrophobicContact CG1-CZ 4.43Å; I117-F226 HydrophobicContact CG2-CE2 4.12Å; I117-F226 HydrophobicContact CG2-CZ 4.38Å; I117-A230 HydrophobicContact CD1-CB 4.42Å; I117-F253 HydrophobicContact CD1-CZ 4.13Å; I117-F253 HydrophobicContact CG1-CZ 3.82Å
118T92.3Very high96.3Very high9 Ų933.5 Ų33.56%0.05518%0.181CC..G310 helixtrans53.245.4-175.8-53.50000111.3F116 G120 Q121 N309 N312F116-T118 PolarHBondContact O-N 3.22Å; T118-G120 PolarHBondContact O-N 3.1Å; T118-G120 VanDerWaalsContact O-N 3.1Å; T118-Q121 PolarHBondContact O-N 2.66Å; T118-N309 HydrophobicContact CG2-CB 3.77Å; T118-N312 WeakPolarHBondContact CG2-ND2 3.04Å
119D89Confident96.3Very high94 Ų9433.7 Ų33.750%0.50319%0.186SC..G310 helixtrans5037.5-177.3-53.4-28.4000113.2T115 I117 Q121 R261T115-D119 CarbonylContact O-C 3.58Å; I117-D119 VanDerWaalsContact C-N 3.25Å; I117-D119 PolarHBondContact O-N 2.97Å; D119-Q121 VanDerWaalsContact C-N 3.26Å; D119-Q121 PolarHBondContact O-N 2.87Å; D119-R261 IonicContact OD1-CZ 2.82Å; D119-R261 IonicContact OD1-NE 3.68Å; D119-R261 PolarHBondContact OD1-NE 3.02Å; D119-R261 IonicContact OD1-NH2 2.72Å; D119-R261 WeakPolarHBondContact OD2-CD 3.33Å; D119-R261 IonicContact OD2-CZ 3.43Å; D119-R261 IonicContact OD2-NE 2.94Å; D119-R261 PolarHBondContact OD2-NE 2.79Å; D119-R261 IonicContact OD2-NH2 3.85Å
120G93Very high96.2Very high17 Ų1734.5 Ų34.518%0.17520%0.195CC..G310 helixtrans76.26.5179.800000114.8T115 I117 T118 S126T115-G120 PolarHBondContact O-N 3.27Å; I117-G120 PolarHBondContact O-N 2.81Å; I117-G120 VanDerWaalsContact O-N 3.11Å; T118-G120 PolarHBondContact O-N 3.1Å; T118-G120 VanDerWaalsContact O-N 3.1Å; G120-S126 VanDerWaalsContact O-CB 3.28Å; G120-S126 WeakPolarHBondContact O-CB 3.49Å
121Q94.6Very high96.1Very high72 Ų7231.9 Ų31.934%0.33619%0.185SC..THydrogen-bonded Turntrans-105.78.2-177.7-59.6-56.8-43.300114.1T118 D119 M123 R136T118-Q121 PolarHBondContact O-N 2.66Å; D119-Q121 VanDerWaalsContact C-N 3.26Å; D119-Q121 PolarHBondContact O-N 2.87Å; Q121-M123 PolarHBondContact O-N 2.9Å; Q121-R136 PolarHBondContact O-NH1 3.18Å; Q121-R136 PolarHBondContact O-NH2 2.89Å
122S97.1Very high96Very high1 Ų133.3 Ų33.31%0.00720%0.195CC..  trans-53.7136.4174.7158.10000111.7S124 F125 S126 D313S122-S124 PolarHBondContact O-N 3.28Å; S122-S124 PolarHBondContact OG-N 2.95Å; S122-F125 WeakPolarHBondContact OG-CD2 3.47Å; S122-F125 PolarHBondContact OG-N 3.46Å; S122-S126 WeakPolarHBondContact O-CB 3.46Å; S122-S126 PolarHBondContact O-N 2.95Å; S122-S126 PolarHBondContact O-OG 2.99Å; S122-D313 PolarHBondContact OG-OD1 3.43Å
123M97.4Very high96Very high9 Ų931.6 Ų31.64%0.04419%0.188CC..THydrogen-bonded Turntrans-64.1-34.2173.5178-167.862.900111.6Q121 R136 R137 A140 L310 D313 I459Q121-M123 PolarHBondContact O-N 2.9Å; M123-R136 HydrophobicContact CG-CB 4.33Å; M123-R136 HydrophobicContact SD-CB 4.43Å; M123-R137 WeakPolarHBondContact SD-CA 3.26Å; M123-R137 HydrophobicContact SD-CB 4.03Å; M123-A140 HydrophobicContact CE-CB 4.04Å; M123-A140 HydrophobicContact SD-CB 3.96Å; M123-L310 HydrophobicContact CB-CD2 3.66Å; M123-L310 HydrophobicContact CE-CD2 4.49Å; M123-L310 HydrophobicContact CG-CD2 4.02Å; M123-L310 HydrophobicContact SD-CD2 3.64Å; M123-D313 HydrophobicContact CE-CB 4.31Å; M123-D313 PolarHBondContact N-OD1 3.18Å; M123-D313 PolarHBondContact N-OD2 2.81Å; M123-I459 HydrophobicContact CE-CD1 4.27Å
124S97.9Very high96Very high28 Ų2833.8 Ų33.820%0.19621%0.206CC..THydrogen-bonded Turntrans-81.6-36.6-174.4-530000113R108 S122 D313R108-S124 PolarHBondContact NE-O 2.72Å; S122-S124 PolarHBondContact O-N 3.28Å; S122-S124 PolarHBondContact OG-N 2.95Å; S124-D313 WeakPolarHBondContact CB-OD1 3.19Å; S124-D313 PolarHBondContact N-OD1 3.21Å; S124-D313 PolarHBondContact OG-OD1 3.1Å
125F98.1Very high95.9Very high15 Ų1534.8 Ų34.87%0.06622%0.216CC..THydrogen-bonded Turntrans-110.8-21.1-168.5-66.5-84000114.8F114 I117 S122 F226 I386 L497F114-F125 HydrophobicContact CB-CB 4.21Å; F114-F125 HydrophobicContact CD1-CB 4.46Å; F114-F125 AromaticContact CD1-CD1 3.73Å; F114-F125 HydrophobicContact CD1-CD1 3.73Å; F114-F125 HydrophobicContact CD1-CE1 4.45Å; F114-F125 HydrophobicContact CD1-CG 4.47Å; F114-F125 HydrophobicContact CD2-CB 4.17Å; F114-F125 HydrophobicContact CD2-CD1 4.14Å; F114-F125 VanDerWaalsContact CD2-O 3.32Å; F114-F125 WeakPolarHBondContact CD2-O 3.26Å; F114-F125 AromaticContact CE1-CD1 3.56Å; F114-F125 HydrophobicContact CE1-CD1 3.56Å; F114-F125 AromaticContact CE1-CE1 3.97Å; F114-F125 HydrophobicContact CE1-CE1 3.97Å; F114-F125 AromaticContact CE2-CD1 3.98Å; F114-F125 HydrophobicContact CE2-CD1 3.98Å; F114-F125 HydrophobicContact CG-CB 4.04Å; F114-F125 HydrophobicContact CG-CD1 4.04Å; F114-F125 HydrophobicContact CG-CG 4.5Å; F114-F125 AromaticContact CZ-CD1 3.69Å; F114-F125 HydrophobicContact CZ-CD1 3.69Å; F114-F125 HydrophobicContact CZ-CE1 4.16Å; I117-F125 HydrophobicContact CD1-CB 4.04Å; I117-F125 HydrophobicContact CD1-CD1 3.72Å; I117-F125 HydrophobicContact CD1-CD2 3.82Å; I117-F125 HydrophobicContact CD1-CE1 4.07Å; I117-F125 HydrophobicContact CD1-CE2 4.18Å; I117-F125 HydrophobicContact CD1-CG 3.58Å; I117-F125 HydrophobicContact CD1-CZ 4.29Å; I117-F125 HydrophobicContact CG2-CD2 3.88Å; I117-F125 HydrophobicContact CG2-CE2 4.44Å; I117-F125 HydrophobicContact CG2-CG 4.44Å; S122-F125 WeakPolarHBondContact OG-CD2 3.47Å; S122-F125 PolarHBondContact OG-N 3.46Å; F125-F226 AromaticContact CE2-CZ 3.97Å; F125-F226 HydrophobicContact CE2-CZ 3.97Å; F125-F226 HydrophobicContact CZ-CE1 4.26Å; F125-F226 AromaticContact CZ-CZ 3.98Å; F125-F226 HydrophobicContact CZ-CZ 3.98Å; F125-I386 HydrophobicContact CD1-CD1 4.33Å; F125-I386 HydrophobicContact CD1-CG2 3.95Å; F125-I386 HydrophobicContact CE1-CD1 3.71Å; F125-I386 HydrophobicContact CE1-CG1 3.91Å; F125-I386 HydrophobicContact CE1-CG2 3.92Å; F125-I386 HydrophobicContact CE2-CD1 4.19Å; F125-I386 HydrophobicContact CZ-CD1 3.62Å; F125-I386 HydrophobicContact CZ-CG1 4.17Å; F125-L497 HydrophobicContact CE1-CD2 4.39Å; F125-L497 HydrophobicContact CZ-CD2 3.9Å
126S97.5Very high95.9Very high7 Ų732.1 Ų32.15%0.04920%0.199CC..SBendtrans-65.7151.6-179.966.60000112.3R108 G120 S122 D128R108-S126 WeakPolarHBondContact CB-O 3.5Å; R108-S126 WeakPolarHBondContact CG-O 3.49Å; G120-S126 VanDerWaalsContact O-CB 3.28Å; G120-S126 WeakPolarHBondContact O-CB 3.49Å; S122-S126 WeakPolarHBondContact O-CB 3.46Å; S122-S126 PolarHBondContact O-N 2.95Å; S122-S126 PolarHBondContact O-OG 2.99Å; S126-D128 PolarHBondContact O-N 3.39Å; S126-D128 VanDerWaalsContact O-N 3.14Å
127P97.4Very high95.9Very high58 Ų5832.1 Ų32.138%0.37720%0.197SC..SBendtrans-60-19174.9-25.734.9000114.6D110 S129D110-P127 HydrophobicContact CB-CG 3.97Å; P127-S129 PolarHBondContact O-N 3.41Å; P127-S129 VanDerWaalsContact O-N 3.17Å
128D96.3Very high95.9Very high46 Ų4640.3 Ų40.325%0.24623%0.228CC..  trans-60.4120.1178.2-178.314.3000110.8S126 G130 V132 W133 R456S126-D128 PolarHBondContact O-N 3.39Å; S126-D128 VanDerWaalsContact O-N 3.14Å; D128-G130 PolarHBondContact OD1-N 3.39Å; D128-V132 VanDerWaalsContact OD2-CB 3.3Å; D128-V132 WeakPolarHBondContact OD2-CB 3.46Å; D128-V132 WeakPolarHBondContact OD2-CG1 3.13Å; D128-W133 WeakPolarHBondContact O-CB 3.49Å; D128-W133 PolarHBondContact OD2-N 2.88Å; D128-R456 PolarHBondContact O-NH2 3.14Å
129S96.8Very high96.1Very high23 Ų2340.8 Ų40.816%0.16123%0.23CC..  trans-134.412.5178.358.90000112K106 P127K106-S129 WeakPolarHBondContact CE-O 3.25Å; K106-S129 WeakPolarHBondContact O-CB 3.19Å; P127-S129 PolarHBondContact O-N 3.41Å; P127-S129 VanDerWaalsContact O-N 3.17Å
130G96Very high96.4Very high26 Ų2636.3 Ų36.327%0.26821%0.206SC..SBendtrans-87.1-160.1-177.500000113.2D128 V132 W133 A134D128-G130 PolarHBondContact OD1-N 3.39Å; G130-V132 VanDerWaalsContact C-N 3.25Å; G130-V132 PolarHBondContact O-N 3.38Å; G130-W133 PolarHBondContact O-N 3.46Å; G130-A134 PolarHBondContact O-N 3.35Å
131P96.3Very high96.6Very high75 Ų7537.7 Ų37.749%0.48721%0.208SC..Hα-helixtrans-58.7-32.6177.7-27.837.6000114.1A134 A135 A297 S298P131-A134 PolarHBondContact O-N 3.39Å; P131-A135 WeakPolarHBondContact O-CB 3.16Å; P131-A135 PolarHBondContact O-N 2.85Å; P131-A297 HydrophobicContact CB-CB 4.25Å; P131-S298 VanDerWaalsContact CB-OG 3.31Å; P131-S298 WeakPolarHBondContact CB-OG 3.1Å; P131-S298 VanDerWaalsContact CG-OG 3.28Å; P131-S298 WeakPolarHBondContact CG-OG 3.25Å
132V95.3Very high96.7Very high44 Ų4438 Ų3827%0.26721%0.212SC..Hα-helixtrans-64.9-50.8177.2174.10000110.5D128 G130 A134 A135 R136 A297D128-V132 VanDerWaalsContact OD2-CB 3.3Å; D128-V132 WeakPolarHBondContact OD2-CB 3.46Å; D128-V132 WeakPolarHBondContact OD2-CG1 3.13Å; G130-V132 VanDerWaalsContact C-N 3.25Å; G130-V132 PolarHBondContact O-N 3.38Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 2.82Å; V132-A135 PolarHBondContact O-N 3.08Å; V132-R136 WeakPolarHBondContact O-CB 3.32Å; V132-R136 WeakPolarHBondContact O-CG 3.26Å; V132-R136 PolarHBondContact O-N 3.15Å; V132-A297 HydrophobicContact CB-CB 4.43Å; V132-A297 HydrophobicContact CG2-CB 3.86Å
133W97.1Very high96.6Very high14 Ų1438.3 Ų38.35%0.05322%0.215CC..Hα-helixtrans-55.1-46.1172.2166.880.2000112.5K106 D128 G130 A135 R136 R137 K455 R456K106-W133 HydrophobicContact CD-CZ3 4.33Å; D128-W133 WeakPolarHBondContact O-CB 3.49Å; D128-W133 PolarHBondContact OD2-N 2.88Å; G130-W133 PolarHBondContact O-N 3.46Å; W133-A135 PolarHBondContact O-N 2.97Å; W133-R136 PolarHBondContact O-N 3.02Å; W133-R137 WeakPolarHBondContact O-CB 3.27Å; W133-R137 PolarHBondContact O-N 2.9Å; W133-K455 HydrophobicContact CH2-CB 4.2Å; W133-K455 WeakPolarHBondContact CH2-O 3.32Å; W133-R456 HydrophobicContact CZ2-CG 4.35Å
134A96.9Very high96.5Very high46 Ų4638.2 Ų38.238%0.3821%0.214SC..Hα-helixtrans-62.9-41.5-178.900000112.3G130 P131 V132 R138G130-A134 PolarHBondContact O-N 3.35Å; P131-A134 PolarHBondContact O-N 3.39Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 2.82Å; A134-R138 PolarHBondContact O-N 3.01Å
135A95.7Very high96.4Very high28 Ų2839.5 Ų39.523%0.23122%0.219CC..Hα-helixtrans-63.3-49.317500000111.1P131 V132 W133 R137 R138 L139 A297 I302P131-A135 WeakPolarHBondContact O-CB 3.16Å; P131-A135 PolarHBondContact O-N 2.85Å; V132-A135 PolarHBondContact O-N 3.08Å; W133-A135 PolarHBondContact O-N 2.97Å; A135-R137 VanDerWaalsContact C-N 3.35Å; A135-R137 PolarHBondContact O-N 3.16Å; A135-R138 WeakPolarHBondContact O-CB 3.35Å; A135-R138 PolarHBondContact O-N 3.32Å; A135-R138 VanDerWaalsContact O-N 3.15Å; A135-L139 WeakPolarHBondContact O-CG 3.44Å; A135-L139 PolarHBondContact O-N 3.08Å; A135-A297 HydrophobicContact CB-CB 4.27Å; A135-I302 HydrophobicContact CB-CD1 3.68Å
136R96.4Very high96.3Very high1 Ų142.1 Ų42.10%0.00424%0.236CC..Hα-helixtrans-55.8-46.6176.3-76.6-179.978-1613.8112.4Q121 M123 V132 W133 R138 L139 A140 K306 L310Q121-R136 PolarHBondContact O-NH1 3.18Å; Q121-R136 PolarHBondContact O-NH2 2.89Å; M123-R136 HydrophobicContact CG-CB 4.33Å; M123-R136 HydrophobicContact SD-CB 4.43Å; V132-R136 WeakPolarHBondContact O-CB 3.32Å; V132-R136 WeakPolarHBondContact O-CG 3.26Å; V132-R136 PolarHBondContact O-N 3.15Å; W133-R136 PolarHBondContact O-N 3.02Å; R136-R138 VanDerWaalsContact C-N 3.34Å; R136-R138 PolarHBondContact O-N 2.76Å; R136-L139 PolarHBondContact O-N 3.2Å; R136-A140 PolarHBondContact O-N 3.21Å; R136-K306 VanDerWaalsContact CZ-O 3.24Å; R136-K306 PolarHBondContact NE-O 3.5Å; R136-K306 PolarHBondContact NH2-O 3.47Å; R136-L310 HydrophobicContact CB-CD1 4.4Å; R136-L310 HydrophobicContact CB-CD2 3.97Å; R136-L310 HydrophobicContact CG-CD2 4.44Å; R136-L310 WeakPolarHBondContact O-CD1 3.37Å
137R97.4Very high96.1Very high53 Ų5342.3 Ų42.320%0.224%0.236CC..Hα-helixtrans-59.6-42.6176.1179175.8171.492.32.9112.5M123 W133 A135 L139 A140 Q141 K455 R457 I459M123-R137 WeakPolarHBondContact SD-CA 3.26Å; M123-R137 HydrophobicContact SD-CB 4.03Å; W133-R137 WeakPolarHBondContact O-CB 3.27Å; W133-R137 PolarHBondContact O-N 2.9Å; A135-R137 VanDerWaalsContact C-N 3.35Å; A135-R137 PolarHBondContact O-N 3.16Å; R137-L139 VanDerWaalsContact C-N 3.33Å; R137-A140 PolarHBondContact O-N 3Å; R137-Q141 WeakPolarHBondContact O-CB 3.4Å; R137-Q141 PolarHBondContact O-N 3.49Å; R137-K455 PolarHBondContact NE-O 3.41Å; R137-R457 VanDerWaalsContact CZ-O 3.27Å; R137-R457 PolarHBondContact NH1-O 3.14Å; R137-R457 PolarHBondContact NH2-O 3.36Å; R137-I459 HydrophobicContact CG-CG2 4.23Å; R137-I459 VanDerWaalsContact CZ-CG2 3.41Å
138R96.2Very high95.9Very high180 Ų18039.6 Ų39.668%0.67922%0.218SC*.Hα-helixtrans-63.7-40176.5-173.5175.7-176.5174.1-0.3111.6A134 A135 R136 N142A134-R138 PolarHBondContact O-N 3.01Å; A135-R138 WeakPolarHBondContact O-CB 3.35Å; A135-R138 PolarHBondContact O-N 3.32Å; A135-R138 VanDerWaalsContact O-N 3.15Å; R136-R138 VanDerWaalsContact C-N 3.34Å; R136-R138 PolarHBondContact O-N 2.76Å; R138-N142 VanDerWaalsContact O-CB 3.31Å; R138-N142 WeakPolarHBondContact O-CB 3.5Å; R138-N142 PolarHBondContact O-N 3.24Å; R138-N142 PolarHBondContact O-OD1 3.13Å
139L95.6Very high95.7Very high20 Ų2040.3 Ų40.311%0.10522%0.222CC..Hα-helixtrans-64.6-47.5176.5-63.7177000112.1A135 R136 R137 Q141 N142 A143 L287 H290 I307 L310A135-L139 WeakPolarHBondContact O-CG 3.44Å; A135-L139 PolarHBondContact O-N 3.08Å; R136-L139 PolarHBondContact O-N 3.2Å; R137-L139 VanDerWaalsContact C-N 3.33Å; L139-Q141 PolarHBondContact O-N 2.72Å; L139-N142 PolarHBondContact O-N 3.01Å; L139-A143 WeakPolarHBondContact O-CB 3.35Å; L139-A143 PolarHBondContact O-N 3Å; L139-L287 HydrophobicContact CB-CD2 4.36Å; L139-H290 WeakPolarHBondContact CD1-CD2 3.36Å; L139-H290 WeakPolarHBondContact CD2-CD2 3.33Å; L139-H290 VanDerWaalsContact CD2-CE1 3.4Å; L139-H290 WeakPolarHBondContact CD2-CE1 3.37Å; L139-H290 WeakPolarHBondContact CD2-NE2 3.48Å; L139-I307 HydrophobicContact CD1-CG2 4.33Å; L139-L310 HydrophobicContact CB-CD1 4.06Å
140A96.6Very high95.3Very high0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-58.4-47.8175.800000111.5M123 R136 R137 N142 A143 L144 L310 I314 I459M123-A140 HydrophobicContact CE-CB 4.04Å; M123-A140 HydrophobicContact SD-CB 3.96Å; R136-A140 PolarHBondContact O-N 3.21Å; R137-A140 PolarHBondContact O-N 3Å; A140-N142 PolarHBondContact O-N 3.27Å; A140-A143 PolarHBondContact O-N 2.85Å; A140-L144 WeakPolarHBondContact O-CB 3.39Å; A140-L144 PolarHBondContact O-N 2.94Å; A140-L310 HydrophobicContact CB-CD1 4.41Å; A140-I314 HydrophobicContact CB-CD1 4.09Å; A140-I459 HydrophobicContact CB-CD1 3.85Å
141Q97Very high95Very high46 Ų4644.4 Ų44.422%0.21525%0.248CC..Hα-helixtrans-61.6-45.5178.2-175.772.971.800112.2R137 L139 N145 I459R137-Q141 WeakPolarHBondContact O-CB 3.4Å; R137-Q141 PolarHBondContact O-N 3.49Å; L139-Q141 PolarHBondContact O-N 2.72Å; Q141-N145 PolarHBondContact NE2-OD1 3.38Å; Q141-N145 WeakPolarHBondContact O-CB 3.43Å; Q141-N145 PolarHBondContact O-N 3.14Å; Q141-N145 PolarHBondContact O-OD1 3.45Å; Q141-I459 PolarHBondContact NE2-O 2.76Å; Q141-I459 VanDerWaalsContact OE1-CA 3.25Å; Q141-I459 VanDerWaalsContact OE1-CG2 3.23Å; Q141-I459 PolarHBondContact OE1-O 3.09Å
142N95.9Very high94.5Very high79 Ų7942.1 Ų42.142%0.42223%0.232SC..Hα-helixtrans-64.6-47.1-179.4-74-5.1000111.1R138 L139 A140 N145 T146R138-N142 VanDerWaalsContact O-CB 3.31Å; R138-N142 WeakPolarHBondContact O-CB 3.5Å; R138-N142 PolarHBondContact O-N 3.24Å; R138-N142 PolarHBondContact O-OD1 3.13Å; L139-N142 PolarHBondContact O-N 3.01Å; A140-N142 PolarHBondContact O-N 3.27Å; N142-N145 PolarHBondContact O-N 2.86Å; N142-T146 PolarHBondContact O-N 2.96Å; N142-T146 PolarHBondContact O-OG1 2.74Å
143A95.4Very high93.9Very high7 Ų745.5 Ų45.56%0.05826%0.255CS..Hα-helixtrans-61.9-46.8178.100000110.8L139 A140 N145 T146 F147 I283 A286 L287L139-A143 WeakPolarHBondContact O-CB 3.35Å; L139-A143 PolarHBondContact O-N 3Å; A140-A143 PolarHBondContact O-N 2.85Å; A143-N145 VanDerWaalsContact C-N 3.33Å; A143-N145 PolarHBondContact O-N 3.41Å; A143-T146 PolarHBondContact O-N 2.96Å; A143-F147 VanDerWaalsContact O-CD2 3.27Å; A143-F147 WeakPolarHBondContact O-CD2 3.27Å; A143-F147 PolarHBondContact O-N 2.75Å; A143-I283 HydrophobicContact CB-CB 4.49Å; A143-I283 HydrophobicContact CB-CG1 4.36Å; A143-I283 HydrophobicContact CB-CG2 3.98Å; A143-A286 HydrophobicContact CB-CB 4.48Å; A143-L287 HydrophobicContact CB-CD2 4.43Å
144L95.9Very high93.1Very high6 Ų649.3 Ų49.33%0.03129%0.289CS..Hα-helixtrans-56.7-47.3176.8-170.464.8000111.1A140 T146 F147 S148 I283 I314 I459 L463A140-L144 WeakPolarHBondContact O-CB 3.39Å; A140-L144 PolarHBondContact O-N 2.94Å; L144-T146 VanDerWaalsContact C-N 3.35Å; L144-T146 PolarHBondContact O-N 3.2Å; L144-F147 PolarHBondContact O-N 3.43Å; L144-S148 VanDerWaalsContact O-CB 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.35Å; L144-S148 PolarHBondContact O-N 3.17Å; L144-S148 VanDerWaalsContact O-N 3.15Å; L144-S148 PolarHBondContact O-OG 3.31Å; L144-I283 HydrophobicContact CD1-CD1 3.88Å; L144-I314 HydrophobicContact CD1-CG2 3.94Å; L144-I459 HydrophobicContact CD2-CD1 4.48Å; L144-I459 HydrophobicContact CD2-CG1 4.32Å; L144-L463 HydrophobicContact CD1-CD2 3.66Å; L144-L463 HydrophobicContact CD2-CD2 4.08Å; L144-L463 HydrophobicContact CG-CD2 4.04Å
145N94.8Very high92.5Very high55 Ų5548.4 Ų48.429%0.29428%0.28SS..Hα-helixtrans-62.4-41.6179.8-72.3-1000112.4Q141 N142 A143 F147 I149 A150Q141-N145 PolarHBondContact NE2-OD1 3.38Å; Q141-N145 WeakPolarHBondContact O-CB 3.43Å; Q141-N145 PolarHBondContact O-N 3.14Å; Q141-N145 PolarHBondContact O-OD1 3.45Å; N142-N145 PolarHBondContact O-N 2.86Å; A143-N145 VanDerWaalsContact C-N 3.33Å; A143-N145 PolarHBondContact O-N 3.41Å; N145-F147 PolarHBondContact O-N 3.27Å; N145-I149 HydrophobicContact CB-CD1 3.88Å; N145-I149 HydrophobicContact CB-CG1 3.99Å; N145-I149 VanDerWaalsContact O-CG1 3.23Å; N145-I149 WeakPolarHBondContact O-CG1 3.39Å; N145-I149 PolarHBondContact O-N 3.47Å; N145-A150 PolarHBondContact O-N 3.28Å
146T95.2Very high91.7Very high71 Ų7153.3 Ų53.344%0.43631%0.313SS..Hα-helixtrans-62.3-40.5-179.4-59.30000112.7N142 A143 L144 A150N142-T146 PolarHBondContact O-N 2.96Å; N142-T146 PolarHBondContact O-OG1 2.74Å; A143-T146 PolarHBondContact O-N 2.96Å; L144-T146 VanDerWaalsContact C-N 3.35Å; L144-T146 PolarHBondContact O-N 3.2Å; T146-A150 VanDerWaalsContact O-CB 3.28Å; T146-A150 WeakPolarHBondContact O-CB 3.42Å
147F94.9Very high91.2Very high11 Ų1156.9 Ų56.95%0.04834%0.338CS..THydrogen-bonded Turntrans-104.419.8-175.6-59.1-76000113.4A143 L144 N145 Y160 M203 V280 Q281 D282 I283 A286A143-F147 VanDerWaalsContact O-CD2 3.27Å; A143-F147 WeakPolarHBondContact O-CD2 3.27Å; A143-F147 PolarHBondContact O-N 2.75Å; L144-F147 PolarHBondContact O-N 3.43Å; N145-F147 PolarHBondContact O-N 3.27Å; F147-Y160 WeakPolarHBondContact O-CB 3.24Å; F147-M203 VanDerWaalsContact O-CG 3.28Å; F147-M203 WeakPolarHBondContact O-CG 3.22Å; F147-M203 VanDerWaalsContact O-SD 3.37Å; F147-V280 HydrophobicContact CZ-CG1 3.77Å; F147-Q281 VanDerWaalsContact CD1-O 3.29Å; F147-Q281 WeakPolarHBondContact CD1-O 3.39Å; F147-Q281 WeakPolarHBondContact CE1-O 3.28Å; F147-D282 VanDerWaalsContact CE1-N 3.33Å; F147-D282 VanDerWaalsContact CE2-O 3.26Å; F147-D282 WeakPolarHBondContact CE2-O 3.24Å; F147-D282 WeakPolarHBondContact CZ-O 3.4Å; F147-I283 HydrophobicContact CB-CG1 4.07Å; F147-I283 HydrophobicContact CD2-CG1 3.88Å; F147-I283 HydrophobicContact CG-CG1 4.34Å; F147-A286 HydrophobicContact CE2-CB 3.52Å; F147-A286 HydrophobicContact CZ-CB 4.11Å
148S92.6Very high90.8Very high0 Ų054.8 Ų54.80%033%0.331CS..THydrogen-bonded Turntrans-134.6-66.717565.30000112.3L144 C159 Y160 L161 M203L144-S148 VanDerWaalsContact O-CB 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.35Å; L144-S148 PolarHBondContact O-N 3.17Å; L144-S148 VanDerWaalsContact O-N 3.15Å; L144-S148 PolarHBondContact O-OG 3.31Å; S148-C159 WeakPolarHBondContact O-CB 3.4Å; S148-Y160 PolarHBondContact O-N 3.16Å; S148-L161 WeakPolarHBondContact O-CB 3.44Å; S148-L161 PolarHBondContact O-N 2.9Å; S148-M203 WeakPolarHBondContact CB-SD 3.48Å
149I91Very high90.7Very high61 Ų6146.7 Ų46.731%0.31330%0.302SS..THydrogen-bonded Turntrans-86.8-19.2-172.966174.2000113.3N145 C159 W466N145-I149 HydrophobicContact CB-CD1 3.88Å; N145-I149 HydrophobicContact CB-CG1 3.99Å; N145-I149 VanDerWaalsContact O-CG1 3.23Å; N145-I149 WeakPolarHBondContact O-CG1 3.39Å; N145-I149 PolarHBondContact O-N 3.47Å; I149-C159 WeakPolarHBondContact O-CB 3.5Å; I149-W466 HydrophobicContact CB-CH2 4.32Å; I149-W466 HydrophobicContact CB-CZ3 3.76Å; I149-W466 HydrophobicContact CG2-CE3 3.93Å; I149-W466 HydrophobicContact CG2-CH2 4.18Å; I149-W466 HydrophobicContact CG2-CZ3 3.48Å; I149-W466 VanDerWaalsContact CG2-CZ3 3.48Å
150A90.3Very high90.6Very high39 Ų3947.7 Ų47.732%0.32231%0.305SS..SBendtrans-70.3150.4175.200000110.6N145 T146 D152 C159 Y160N145-A150 PolarHBondContact O-N 3.28Å; T146-A150 VanDerWaalsContact O-CB 3.28Å; T146-A150 WeakPolarHBondContact O-CB 3.42Å; A150-D152 PolarHBondContact O-N 2.65Å; A150-C159 VanDerWaalsContact O-CA 3.26Å; A150-C159 WeakPolarHBondContact O-CA 3.46Å; A150-C159 WeakPolarHBondContact O-CB 3.48Å; A150-Y160 WeakPolarHBondContact O-CD2 3.26Å; A150-Y160 PolarHBondContact O-N 3.11Å
151S87.8Confident90.6Very high96 Ų9647.7 Ų47.767%0.67131%0.305SS*.BIsolated β-bridgetrans-58134.1174.9-570000110.6P153S151-P153 WeakPolarHBondContact O-CD 3.21Å
152D85.6Confident90.7Very high28 Ų2846.1 Ų46.115%0.1530%0.298CS..PPolyproline II helixtrans-73.5123172.9178.7-1.8000108.8A150 A154 S155 S158 Y160A150-D152 PolarHBondContact O-N 2.65Å; D152-A154 PolarHBondContact O-N 2.62Å; D152-A154 VanDerWaalsContact O-N 3.1Å; D152-A154 WeakPolarHBondContact OD1-CB 3.22Å; D152-A154 PolarHBondContact OD1-N 3.15Å; D152-S155 CarbonylContact O-C 3.54Å; D152-S155 PolarHBondContact O-N 3.41Å; D152-S158 PolarHBondContact N-O 3.4Å; D152-S158 VanDerWaalsContact N-O 3.16Å; D152-Y160 HydrophobicContact CB-CD1 3.95Å; D152-Y160 HydrophobicContact CB-CD2 4.48Å; D152-Y160 HydrophobicContact CB-CE1 4.02Å; D152-Y160 HydrophobicContact CB-CG 4.21Å
153P82.9Confident90.6Very high114 Ų11446.2 Ų46.274%0.7430%0.296SS*.THydrogen-bonded Turntrans-55.2-25.5175.3-25.235.1000114.4S151 S155 Y160S151-P153 WeakPolarHBondContact O-CD 3.21Å; P153-S155 VanDerWaalsContact C-N 3.34Å; P153-Y160 WeakPolarHBondContact CD-OH 3.4Å
154A82.1Confident90.7Very high94 Ų9448.1 Ų48.178%0.77730%0.303SS*.THydrogen-bonded Turntrans-78.9-16.8176.100000113.2D152D152-A154 PolarHBondContact O-N 2.62Å; D152-A154 VanDerWaalsContact O-N 3.1Å; D152-A154 WeakPolarHBondContact OD1-CB 3.22Å; D152-A154 PolarHBondContact OD1-N 3.15Å
155S82.7Confident90.8Very high27 Ų2747.8 Ų47.819%0.18930%0.302CS..  trans-114135.8178.6179.70000112D152 P153 S157 S158D152-S155 CarbonylContact O-C 3.54Å; D152-S155 PolarHBondContact O-N 3.41Å; P153-S155 VanDerWaalsContact C-N 3.34Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact O-N 2.83Å; S155-S157 PolarHBondContact OG-N 3.49Å; S155-S158 VanDerWaalsContact CB-OG 3.28Å; S155-S158 WeakPolarHBondContact CB-OG 3.33Å; S155-S158 PolarHBondContact OG-N 3.43Å; S155-S158 PolarHBondContact OG-OG 3.09Å
156S79.8Confident90.9Very high132 Ų13245.9 Ų45.992%0.92329%0.293SS*.SBendtrans-81-8.7176.255.90000114
157S84.8Confident91Very high75 Ų7547.7 Ų47.752%0.52430%0.295SS..SBendtrans-141.9-0.7-164.669.30000117.2S155S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact O-N 2.83Å; S155-S157 PolarHBondContact OG-N 3.49Å
158S89.9Confident91.1Very high9 Ų947.7 Ų47.76%0.06329%0.294CS..  trans-140.7161.8-17351.30000112D152 S155 E162 E163D152-S158 PolarHBondContact N-O 3.4Å; D152-S158 VanDerWaalsContact N-O 3.16Å; S155-S158 VanDerWaalsContact CB-OG 3.28Å; S155-S158 WeakPolarHBondContact CB-OG 3.33Å; S155-S158 PolarHBondContact OG-N 3.43Å; S155-S158 PolarHBondContact OG-OG 3.09Å; S158-E162 WeakPolarHBondContact CB-OE2 3.12Å; S158-E163 WeakPolarHBondContact CB-OE1 3.44Å; S158-E163 PolarHBondContact OG-OE1 3.47Å
159C94.4Very high91.4Very high10 Ų1047.7 Ų47.77%0.06829%0.294CS..BIsolated β-bridgetrans-93.1162.717363.40000111.4S148 I149 A150 L161 E162 E163S148-C159 WeakPolarHBondContact O-CB 3.4Å; I149-C159 WeakPolarHBondContact O-CB 3.5Å; A150-C159 VanDerWaalsContact O-CA 3.26Å; A150-C159 WeakPolarHBondContact O-CA 3.46Å; A150-C159 WeakPolarHBondContact O-CB 3.48Å; C159-L161 PolarHBondContact O-N 3.38Å; C159-L161 VanDerWaalsContact O-N 3.16Å; C159-E162 PolarHBondContact O-N 2.86Å; C159-E163 PolarHBondContact O-N 2.98Å
160Y94.1Very high91.6Very high41 Ų4148.1 Ų48.116%0.16130%0.295CS..Hα-helixtrans-49.5-43178.1-73.2-76.5000112.9F147 S148 A150 D152 P153 E162 E163 H164F147-Y160 WeakPolarHBondContact O-CB 3.24Å; S148-Y160 PolarHBondContact O-N 3.16Å; A150-Y160 WeakPolarHBondContact O-CD2 3.26Å; A150-Y160 PolarHBondContact O-N 3.11Å; D152-Y160 HydrophobicContact CB-CD1 3.95Å; D152-Y160 HydrophobicContact CB-CD2 4.48Å; D152-Y160 HydrophobicContact CB-CE1 4.02Å; D152-Y160 HydrophobicContact CB-CG 4.21Å; P153-Y160 WeakPolarHBondContact CD-OH 3.4Å; Y160-E162 PolarHBondContact O-N 2.74Å; Y160-E163 PolarHBondContact O-N 3.42Å; Y160-H164 PolarHBondContact O-CD2 3.32Å; Y160-H164 PolarHBondContact O-N 3Å
161L96.6Very high91.9Very high0 Ų048.6 Ų48.60%030%0.299CS..Hα-helixtrans-59-46.9178.6177.663.7000112.1S148 C159 E163 H164 V165 V199 M203 L463 W466 E467S148-L161 WeakPolarHBondContact O-CB 3.44Å; S148-L161 PolarHBondContact O-N 2.9Å; C159-L161 PolarHBondContact O-N 3.38Å; C159-L161 VanDerWaalsContact O-N 3.16Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.35Å; L161-H164 PolarHBondContact O-N 2.67Å; L161-V165 HydrophobicContact CD1-CG2 3.68Å; L161-V165 HydrophobicContact CG-CG2 4.19Å; L161-V165 WeakPolarHBondContact O-CB 3.28Å; L161-V165 VanDerWaalsContact O-CG2 3.23Å; L161-V165 WeakPolarHBondContact O-CG2 3.4Å; L161-V165 PolarHBondContact O-N 3.06Å; L161-V199 HydrophobicContact CD1-CG1 4.04Å; L161-M203 HydrophobicContact CD1-CE 4.07Å; L161-L463 HydrophobicContact CB-CD1 4.21Å; L161-L463 HydrophobicContact CD1-CD1 3.31Å; L161-L463 HydrophobicContact CD2-CD1 3.39Å; L161-L463 HydrophobicContact CG-CD1 3.77Å; L161-W466 HydrophobicContact CD2-CB 3.5Å; L161-W466 VanDerWaalsContact CD2-CB 3.5Å; L161-W466 HydrophobicContact CD2-CE3 4.02Å; L161-W466 HydrophobicContact CD2-CG 4.41Å; L161-E467 HydrophobicContact CD1-CB 4.26Å; L161-E467 HydrophobicContact CD1-CG 4.48Å
162E97.1Very high92.3Very high14 Ų1444.2 Ų44.27%0.06527%0.268CS..Hα-helixtrans-64.6-39.2-176.8-179.9171.5-145.100111.3S158 C159 Y160 S166 R358 L359 L470S158-E162 WeakPolarHBondContact CB-OE2 3.12Å; C159-E162 PolarHBondContact O-N 2.86Å; Y160-E162 PolarHBondContact O-N 2.74Å; E162-S166 WeakPolarHBondContact O-CB 3.47Å; E162-S166 PolarHBondContact O-N 3.12Å; E162-S166 PolarHBondContact O-OG 2.77Å; E162-R358 WeakPolarHBondContact OE1-CA 3.4Å; E162-R358 WeakPolarHBondContact OE1-CB 3.29Å; E162-L359 PolarHBondContact OE1-N 3.2Å; E162-L470 HydrophobicContact CB-CD1 4.11Å; E162-L470 HydrophobicContact CG-CD1 4.18Å; E162-L470 HydrophobicContact CG-CD2 4.49Å
163E95.8Very high92.9Very high80 Ų8043 Ų4337%0.37426%0.262SS..Hα-helixtrans-63.8-50.5175.4-68.6-57.5133.500111.9S158 C159 Y160 L161 V165 S166 K167S158-E163 WeakPolarHBondContact CB-OE1 3.44Å; S158-E163 PolarHBondContact OG-OE1 3.47Å; C159-E163 PolarHBondContact O-N 2.98Å; Y160-E163 PolarHBondContact O-N 3.42Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.35Å; E163-V165 PolarHBondContact O-N 3.41Å; E163-S166 PolarHBondContact O-N 2.96Å; E163-K167 PolarHBondContact O-N 3.38Å
164H96.5Very high93.5Very high47 Ų4740.6 Ų40.622%0.21825%0.248CC..Hα-helixtrans-62.1-45.9179.6-66.2-45.4000112.1Y160 L161 K167 E168 V199Y160-H164 PolarHBondContact O-CD2 3.32Å; Y160-H164 PolarHBondContact O-N 3Å; L161-H164 PolarHBondContact O-N 2.67Å; H164-K167 PolarHBondContact O-N 2.92Å; H164-E168 WeakPolarHBondContact O-CB 3.4Å; H164-E168 WeakPolarHBondContact O-CG 3.42Å; H164-E168 PolarHBondContact O-N 2.94Å; H164-V199 HydrophobicContact CB-CG1 4.21Å; H164-V199 HydrophobicContact CB-CG2 4.38Å
165V98.1Very high94.2Very high0 Ų041.5 Ų41.50%023%0.231CC..Hα-helixtrans-67.4-38.6179.5177.10000111.2L161 E163 E168 A169 V199 E467 L470 F471L161-V165 HydrophobicContact CD1-CG2 3.68Å; L161-V165 HydrophobicContact CG-CG2 4.19Å; L161-V165 WeakPolarHBondContact O-CB 3.28Å; L161-V165 VanDerWaalsContact O-CG2 3.23Å; L161-V165 WeakPolarHBondContact O-CG2 3.4Å; L161-V165 PolarHBondContact O-N 3.06Å; E163-V165 PolarHBondContact O-N 3.41Å; V165-E168 PolarHBondContact O-N 3.39Å; V165-A169 WeakPolarHBondContact O-CB 3.24Å; V165-A169 PolarHBondContact O-N 2.8Å; V165-V199 HydrophobicContact CG2-CG1 3.92Å; V165-V199 HydrophobicContact CG2-CG2 4Å; V165-E467 HydrophobicContact CG2-CB 4.4Å; V165-E467 HydrophobicContact CG2-CG 3.79Å; V165-L470 HydrophobicContact CB-CB 4.26Å; V165-L470 HydrophobicContact CB-CD1 4.18Å; V165-L470 HydrophobicContact CG1-CB 3.49Å; V165-L470 VanDerWaalsContact CG1-CB 3.49Å; V165-L470 HydrophobicContact CG1-CD1 4.32Å; V165-F471 HydrophobicContact CB-CE2 4.44Å; V165-F471 HydrophobicContact CG1-CD1 4.26Å; V165-F471 HydrophobicContact CG1-CD2 3.62Å; V165-F471 HydrophobicContact CG1-CE1 4.38Å; V165-F471 HydrophobicContact CG1-CE2 3.77Å; V165-F471 HydrophobicContact CG1-CG 3.89Å; V165-F471 HydrophobicContact CG1-CZ 4.15Å; V165-F471 HydrophobicContact CG2-CD2 4.47Å; V165-F471 HydrophobicContact CG2-CE2 4.1Å
166S97Very high94.9Very high15 Ų1540.5 Ų40.511%0.10522%0.224CC..Hα-helixtrans-62.8-44.5178-63.60000111.7E162 E163 E170E162-S166 WeakPolarHBondContact O-CB 3.47Å; E162-S166 PolarHBondContact O-N 3.12Å; E162-S166 PolarHBondContact O-OG 2.77Å; E163-S166 PolarHBondContact O-N 2.96Å; S166-E170 WeakPolarHBondContact O-CG 3.36Å; S166-E170 PolarHBondContact O-N 3.22Å
167K96.4Very high95.7Very high109 Ų10937.2 Ų37.247%0.47419%0.194SC..Hα-helixtrans-59.4-52.1174.3179.7-167.1168.5-152.10111E163 H164 A169 E170 A171 E211E163-K167 PolarHBondContact O-N 3.38Å; H164-K167 PolarHBondContact O-N 2.92Å; K167-A169 PolarHBondContact O-N 2.86Å; K167-E170 PolarHBondContact O-N 3.33Å; K167-A171 PolarHBondContact O-N 2.92Å; K167-E211 IonicContact NZ-OE1 3.54Å; K167-E211 PolarHBondContact NZ-OE1 2.72Å; K167-E211 IonicContact NZ-OE2 2.76Å
168E97.8Very high96.3Very high10 Ų1038.9 Ų38.95%0.04719%0.193CC..Hα-helixtrans-71.4-31.7-174.8-68.4-55.4129.600113H164 V165 L172 N198 V199 F471H164-E168 WeakPolarHBondContact O-CB 3.4Å; H164-E168 WeakPolarHBondContact O-CG 3.42Å; H164-E168 PolarHBondContact O-N 2.94Å; V165-E168 PolarHBondContact O-N 3.39Å; E168-L172 WeakPolarHBondContact O-CB 3.22Å; E168-L172 PolarHBondContact O-N 3.3Å; E168-N198 VanDerWaalsContact CD-CB 3.44Å; E168-N198 HydrophobicContact CG-CB 3.91Å; E168-N198 WeakPolarHBondContact OE2-CB 3.13Å; E168-N198 PolarHBondContact OE2-ND2 2.89Å; E168-V199 HydrophobicContact CB-CG2 3.88Å; E168-V199 HydrophobicContact CG-CG2 3.74Å; E168-F471 HydrophobicContact CB-CE1 4.28Å; E168-F471 HydrophobicContact CB-CZ 4.09Å
169A97.8Very high96.7Very high0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-68-35.2174.500000112.2V165 K167 S173 F471 I474V165-A169 WeakPolarHBondContact O-CB 3.24Å; V165-A169 PolarHBondContact O-N 2.8Å; K167-A169 PolarHBondContact O-N 2.86Å; A169-S173 WeakPolarHBondContact O-CB 3.44Å; A169-S173 PolarHBondContact O-N 3.22Å; A169-F471 HydrophobicContact CB-CD1 3.81Å; A169-F471 HydrophobicContact CB-CE1 4.01Å; A169-I474 HydrophobicContact CB-CB 4Å; A169-I474 HydrophobicContact CB-CD1 3.88Å; A169-I474 HydrophobicContact CB-CG2 3.71Å
170E95.4Very high96.9Very high70 Ų7041.4 Ų41.433%0.32720%0.204SC..Hα-helixtrans-70-44173.5-74.7-176.4147.900112.4S166 K167 L172 S173 S174 R356S166-E170 WeakPolarHBondContact O-CG 3.36Å; S166-E170 PolarHBondContact O-N 3.22Å; K167-E170 PolarHBondContact O-N 3.33Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 3.49Å; E170-S173 PolarHBondContact O-N 3.4Å; E170-S174 PolarHBondContact O-N 3.04Å; E170-S174 PolarHBondContact O-OG 3.01Å; E170-R356 VanDerWaalsContact CD-CZ 3.49Å; E170-R356 WeakPolarHBondContact OE1-CD 3.24Å; E170-R356 IonicContact OE1-CZ 2.8Å; E170-R356 IonicContact OE1-NE 2.71Å; E170-R356 PolarHBondContact OE1-NE 3.11Å; E170-R356 VanDerWaalsContact OE1-NE 3.1Å; E170-R356 IonicContact OE1-NH1 2.92Å; E170-R356 PolarHBondContact OE1-NH1 3.42Å; E170-R356 IonicContact OE1-NH2 3.99Å; E170-R356 IonicContact OE2-CZ 3.5Å; E170-R356 IonicContact OE2-NH1 3.41Å; E170-R356 PolarHBondContact OE2-NH1 2.85Å; E170-R356 IonicContact OE2-NH2 3.73Å
171A96.9Very high97Very high49 Ų4943.8 Ų43.841%0.40523%0.232SC..Hα-helixtrans-60-43174.100000110.7K167 S174 R175K167-A171 PolarHBondContact O-N 2.92Å; A171-S174 PolarHBondContact O-N 2.9Å; A171-R175 WeakPolarHBondContact O-CB 3.28Å; A171-R175 PolarHBondContact O-N 3.43Å
172L97.5Very high97Very high5 Ų546.3 Ų46.33%0.02626%0.259CS..Hα-helixtrans-62.3-47.7174.8-178.255.8000111.7E168 E170 S174 R175 L176 Q191 V192 L475E168-L172 WeakPolarHBondContact O-CB 3.22Å; E168-L172 PolarHBondContact O-N 3.3Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 3.49Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.42Å; L172-R175 PolarHBondContact O-N 2.79Å; L172-R175 VanDerWaalsContact O-N 3.15Å; L172-L176 HydrophobicContact CD1-CD1 4.36Å; L172-L176 HydrophobicContact CD1-CD2 4.24Å; L172-L176 HydrophobicContact CD1-CG 4.04Å; L172-L176 HydrophobicContact CG-CD1 4.29Å; L172-L176 HydrophobicContact CG-CG 4.37Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.32Å; L172-L176 PolarHBondContact O-N 2.75Å; L172-Q191 HydrophobicContact CD1-CB 3.65Å; L172-V192 HydrophobicContact CD2-CG2 4.47Å; L172-L475 HydrophobicContact CD2-CD1 3.96Å; L172-L475 HydrophobicContact CD2-CD2 4.21Å; L172-L475 HydrophobicContact CG-CD2 4.24Å
173S96.7Very high97Very high1 Ų149.8 Ų49.81%0.00728%0.282CS..Hα-helixtrans-56.5-44177.4-175.40000111.6A169 E170 L176 Q177 Q478A169-S173 WeakPolarHBondContact O-CB 3.44Å; A169-S173 PolarHBondContact O-N 3.22Å; E170-S173 PolarHBondContact O-N 3.4Å; S173-L176 PolarHBondContact O-N 3.28Å; S173-Q177 WeakPolarHBondContact O-CG 3.45Å; S173-Q177 PolarHBondContact O-N 3.4Å; S173-Q177 VanDerWaalsContact O-N 3.16Å; S173-Q177 PolarHBondContact O-NE2 3.24Å; S173-Q478 PolarHBondContact OG-OE1 2.88Å
174S96.6Very high97Very high65 Ų6546.9 Ų46.946%0.45527%0.274SS..Hα-helixtrans-63.3-46.4175.6-55.70000111.5E170 A171 L172 L176 Q177 E178E170-S174 PolarHBondContact O-N 3.04Å; E170-S174 PolarHBondContact O-OG 3.01Å; A171-S174 PolarHBondContact O-N 2.9Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.42Å; S174-L176 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 3.3Å; S174-Q177 WeakPolarHBondContact O-CB 3.45Å; S174-Q177 PolarHBondContact O-N 3.31Å; S174-Q177 VanDerWaalsContact O-N 3.14Å; S174-E178 PolarHBondContact O-N 3.33Å
175R96.6Very high97.1Very high113 Ų11348.4 Ų48.443%0.42628%0.281SS..Hα-helixtrans-61.5-39.8178.7-179.755.7-178.8168.20.2112.8A171 L172 Q177 E178 L179A171-R175 WeakPolarHBondContact O-CB 3.28Å; A171-R175 PolarHBondContact O-N 3.43Å; L172-R175 PolarHBondContact O-N 2.79Å; L172-R175 VanDerWaalsContact O-N 3.15Å; R175-Q177 VanDerWaalsContact C-N 3.33Å; R175-E178 WeakPolarHBondContact CD-OE2 3.39Å; R175-E178 IonicContact CZ-OE2 2.71Å; R175-E178 IonicContact NH1-OE2 3.08Å; R175-E178 PolarHBondContact NH1-OE2 3.05Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 3.28Å; R175-L179 HydrophobicContact CG-CD1 4.39Å; R175-L179 WeakPolarHBondContact O-CG 3.11Å; R175-L179 PolarHBondContact O-N 3.3Å; R175-L179 VanDerWaalsContact O-N 3.08Å
176L97.6Very high97.1Very high5 Ų548.9 Ų48.93%0.02628%0.283CS..Hα-helixtrans-65.2-39.1176.5-67.2-178000111.3L172 S173 S174 L179 M180 F186 Q191 L479 F481L172-L176 HydrophobicContact CD1-CD1 4.36Å; L172-L176 HydrophobicContact CD1-CD2 4.24Å; L172-L176 HydrophobicContact CD1-CG 4.04Å; L172-L176 HydrophobicContact CG-CD1 4.29Å; L172-L176 HydrophobicContact CG-CG 4.37Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.32Å; L172-L176 PolarHBondContact O-N 2.75Å; S173-L176 PolarHBondContact O-N 3.28Å; S174-L176 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 3.3Å; L176-L179 HydrophobicContact CD2-CD1 4.47Å; L176-L179 PolarHBondContact O-N 3.05Å; L176-M180 VanDerWaalsContact O-CG 3.23Å; L176-M180 WeakPolarHBondContact O-CG 3.5Å; L176-M180 PolarHBondContact O-N 2.72Å; L176-F186 HydrophobicContact CD1-CZ 4.27Å; L176-F186 HydrophobicContact CD2-CD1 4.15Å; L176-F186 HydrophobicContact CD2-CD2 3.73Å; L176-F186 HydrophobicContact CD2-CE1 3.98Å; L176-F186 HydrophobicContact CD2-CE2 3.54Å; L176-F186 HydrophobicContact CD2-CG 4.04Å; L176-F186 HydrophobicContact CD2-CZ 3.68Å; L176-F186 HydrophobicContact CG-CZ 4.41Å; L176-Q191 HydrophobicContact CD2-CB 4.13Å; L176-Q191 HydrophobicContact CD2-CG 3.88Å; L176-L479 HydrophobicContact CB-CD1 4.43Å; L176-L479 HydrophobicContact CD1-CD1 3.92Å; L176-F481 HydrophobicContact CD1-CE1 3.76Å; L176-F481 HydrophobicContact CD1-CZ 4.08Å
177Q96.8Very high97.1Very high63 Ų6348.8 Ų48.829%0.29428%0.281SS..Hα-helixtrans-64.5-40.2175.2-70.5173.275.600112.3S173 S174 R175 L179 M180 A181 L479S173-Q177 WeakPolarHBondContact O-CG 3.45Å; S173-Q177 PolarHBondContact O-N 3.4Å; S173-Q177 VanDerWaalsContact O-N 3.16Å; S173-Q177 PolarHBondContact O-NE2 3.24Å; S174-Q177 WeakPolarHBondContact O-CB 3.45Å; S174-Q177 PolarHBondContact O-N 3.31Å; S174-Q177 VanDerWaalsContact O-N 3.14Å; R175-Q177 VanDerWaalsContact C-N 3.33Å; Q177-L179 VanDerWaalsContact C-N 3.34Å; Q177-L179 PolarHBondContact O-N 3.05Å; Q177-M180 PolarHBondContact O-N 3.49Å; Q177-A181 PolarHBondContact O-N 3.23Å; Q177-L479 HydrophobicContact CG-CD2 4.45Å
178E97.3Very high97.1Very high111 Ų11143.7 Ų43.752%0.51926%0.259SS..Hα-helixtrans-59.2-44.6173-68.8172.2-178.700112S174 R175 M180 A181 G182S174-E178 PolarHBondContact O-N 3.33Å; R175-E178 WeakPolarHBondContact CD-OE2 3.39Å; R175-E178 IonicContact CZ-OE2 2.71Å; R175-E178 IonicContact NH1-OE2 3.08Å; R175-E178 PolarHBondContact NH1-OE2 3.05Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 3.28Å; E178-M180 VanDerWaalsContact C-N 3.26Å; E178-M180 PolarHBondContact O-N 3.39Å; E178-A181 PolarHBondContact O-N 3.01Å; E178-G182 PolarHBondContact O-N 2.77Å
179L97.7Very high97Very high22 Ų2243.6 Ų43.612%0.11526%0.259CS..Hα-helixtrans-65.1-32.7177.6-69.3169.5000111.8R175 L176 Q177 P183 G184 F186 Q191R175-L179 HydrophobicContact CG-CD1 4.39Å; R175-L179 WeakPolarHBondContact O-CG 3.11Å; R175-L179 PolarHBondContact O-N 3.3Å; R175-L179 VanDerWaalsContact O-N 3.08Å; L176-L179 HydrophobicContact CD2-CD1 4.47Å; L176-L179 PolarHBondContact O-N 3.05Å; Q177-L179 VanDerWaalsContact C-N 3.34Å; Q177-L179 PolarHBondContact O-N 3.05Å; L179-P183 VanDerWaalsContact O-CD 3.23Å; L179-P183 WeakPolarHBondContact O-CD 3.44Å; L179-G184 PolarHBondContact O-N 3.45Å; L179-F186 HydrophobicContact CB-CB 4.35Å; L179-F186 HydrophobicContact CB-CD1 4.42Å; L179-F186 HydrophobicContact CD1-CB 3.81Å; L179-F186 HydrophobicContact CD1-CG 4.37Å; L179-Q191 HydrophobicContact CD1-CG 3.99Å
180M97.6Very high96.8Very high49 Ų4945.8 Ų45.824%0.24127%0.27CS..Hα-helixtrans-74.6-31.8174.9-68.3-58.7-49.600113L176 Q177 E178 G184 F186 Q508 A509L176-M180 VanDerWaalsContact O-CG 3.23Å; L176-M180 WeakPolarHBondContact O-CG 3.5Å; L176-M180 PolarHBondContact O-N 2.72Å; Q177-M180 PolarHBondContact O-N 3.49Å; E178-M180 VanDerWaalsContact C-N 3.26Å; E178-M180 PolarHBondContact O-N 3.39Å; M180-G184 VanDerWaalsContact CE-O 3.29Å; M180-G184 WeakPolarHBondContact CE-O 3.37Å; M180-F186 HydrophobicContact CG-CE1 4.28Å; M180-F186 HydrophobicContact SD-CD1 4.06Å; M180-F186 HydrophobicContact SD-CE1 3.92Å; M180-Q508 HydrophobicContact CE-CB 3.85Å; M180-Q508 HydrophobicContact CE-CG 4.12Å; M180-Q508 HydrophobicContact SD-CB 4.11Å; M180-Q508 HydrophobicContact SD-CG 4.46Å; M180-A509 HydrophobicContact CG-CB 4.34Å; M180-A509 VanDerWaalsContact CG-O 3.28Å; M180-A509 WeakPolarHBondContact CG-O 3.38Å; M180-A509 PolarHBondContact SD-N 2.91Å; M180-A509 VanDerWaalsContact SD-N 3.37Å
181A96.9Very high96.8Very high91 Ų9144.3 Ų44.375%0.75226%0.263SS*.Hα-helixtrans-74.9-28.5173.300000112.8Q177 E178Q177-A181 PolarHBondContact O-N 3.23Å; E178-A181 PolarHBondContact O-N 3.01Å
182G96.9Very high96.8Very high54 Ų5442.1 Ų42.156%0.55725%0.245SC*.THydrogen-bonded Turntrans-92-102.7175.700000112.3E178 G184E178-G182 PolarHBondContact O-N 2.77Å; G182-G184 PolarHBondContact O-N 3.23Å
183P96.4Very high96.8Very high86 Ų8641.9 Ų41.956%0.55824%0.244SC*.THydrogen-bonded Turntrans-57.7-25.1-179.1-2734.2000116L179 H185L179-P183 VanDerWaalsContact O-CD 3.23Å; L179-P183 WeakPolarHBondContact O-CD 3.44Å; P183-H185 PolarHBondContact O-CD2 3.43Å; P183-H185 PolarHBondContact O-N 3.36Å
184G97.3Very high96.7Very high19 Ų1943.2 Ų43.220%0.19625%0.252CS..SBendtrans777.5-176.900000114.5L179 M180 G182 Q508L179-G184 PolarHBondContact O-N 3.45Å; M180-G184 VanDerWaalsContact CE-O 3.29Å; M180-G184 WeakPolarHBondContact CE-O 3.37Å; G182-G184 PolarHBondContact O-N 3.23Å; G184-Q508 PolarHBondContact O-NE2 2.88Å
185H97.6Very high96.7Very high80 Ų8040.6 Ų40.637%0.3723%0.233SC..  trans-159.3166.2176.166.289.5000111.4P183 E505 F507P183-H185 PolarHBondContact O-CD2 3.43Å; P183-H185 PolarHBondContact O-N 3.36Å; H185-E505 PolarHBondContact ND1-O 3.19Å; H185-F507 CarbonylContact C-O 3.58Å; H185-F507 WeakPolarHBondContact CA-O 3.41Å
186F97.8Very high96.8Very high9 Ų935.2 Ų35.24%0.03921%0.213CC..BIsolated β-bridgetrans-155.9164.3177.655.9-90.9000113.5L176 L179 M180 P188 Q191 F481 E505 F507 A509L176-F186 HydrophobicContact CD1-CZ 4.27Å; L176-F186 HydrophobicContact CD2-CD1 4.15Å; L176-F186 HydrophobicContact CD2-CD2 3.73Å; L176-F186 HydrophobicContact CD2-CE1 3.98Å; L176-F186 HydrophobicContact CD2-CE2 3.54Å; L176-F186 HydrophobicContact CD2-CG 4.04Å; L176-F186 HydrophobicContact CD2-CZ 3.68Å; L176-F186 HydrophobicContact CG-CZ 4.41Å; L179-F186 HydrophobicContact CB-CB 4.35Å; L179-F186 HydrophobicContact CB-CD1 4.42Å; L179-F186 HydrophobicContact CD1-CB 3.81Å; L179-F186 HydrophobicContact CD1-CG 4.37Å; M180-F186 HydrophobicContact CG-CE1 4.28Å; M180-F186 HydrophobicContact SD-CD1 4.06Å; M180-F186 HydrophobicContact SD-CE1 3.92Å; F186-P188 HydrophobicContact CE2-CB 4.26Å; F186-Q191 HydrophobicContact CD2-CG 4.33Å; F186-F481 HydrophobicContact CZ-CD1 4.22Å; F186-F481 HydrophobicContact CZ-CE1 4.19Å; F186-E505 CarbonylContact C-O 3.6Å; F186-E505 PolarHBondContact N-O 2.97Å; F186-E505 CarbonylContact O-C 3.47Å; F186-E505 VanDerWaalsContact O-C 3.22Å; F186-E505 VanDerWaalsContact O-O 3.12Å; F186-F507 WeakPolarHBondContact CD1-O 3.15Å; F186-F507 HydrophobicContact CD2-CB 3.89Å; F186-F507 HydrophobicContact CE1-CB 4.41Å; F186-F507 HydrophobicContact CE2-CB 3.61Å; F186-F507 HydrophobicContact CE2-CD1 4.41Å; F186-F507 HydrophobicContact CE2-CG 4.39Å; F186-F507 HydrophobicContact CG-CB 4.4Å; F186-F507 HydrophobicContact CZ-CB 3.89Å; F186-F507 PolarHBondContact N-O 2.94Å; F186-F507 WeakPolarHBondContact O-CB 3.47Å; F186-F507 PolarHBondContact O-N 2.91Å; F186-A509 HydrophobicContact CE1-CB 3.85Å; F186-A509 HydrophobicContact CZ-CB 3.93Å
187D96.8Very high96.7Very high14 Ų1435 Ų358%0.07521%0.212CC..  trans-89.4115163.4173.74.7000109.4Y189 N190 R503 E505D187-Y189 VanDerWaalsContact C-N 3.34Å; D187-Y189 PolarHBondContact O-N 3.02Å; D187-Y189 PolarHBondContact OD1-N 3.05Å; D187-N190 HydrophobicContact CB-CB 4.33Å; D187-N190 PolarHBondContact O-N 3.41Å; D187-N190 PolarHBondContact OD2-ND2 3.24Å; D187-R503 IonicContact OD1-NH1 3.18Å; D187-R503 IonicContact OD2-CZ 3.45Å; D187-R503 IonicContact OD2-NH1 3.69Å; D187-R503 PolarHBondContact OD2-NH1 2.9Å; D187-E505 HydrophobicContact CB-CG 4.37Å
188P96.3Very high96.7Very high1 Ų132.6 Ų32.61%0.00620%0.201CC..Hα-helixtrans-64-35.9-175.828.2-36.4000112.5F186 N190 Q191 V192 L330 C504 F507F186-P188 HydrophobicContact CE2-CB 4.26Å; P188-N190 VanDerWaalsContact C-N 3.33Å; P188-N190 PolarHBondContact O-N 2.89Å; P188-Q191 PolarHBondContact O-N 3.1Å; P188-V192 WeakPolarHBondContact O-CB 3.35Å; P188-V192 VanDerWaalsContact O-CG2 3.24Å; P188-V192 WeakPolarHBondContact O-CG2 3.36Å; P188-V192 PolarHBondContact O-N 3.49Å; P188-L330 HydrophobicContact CB-CD1 3.85Å; P188-C504 VanDerWaalsContact CD-O 3.26Å; P188-C504 WeakPolarHBondContact CD-O 3.13Å; P188-F507 HydrophobicContact CB-CD1 4Å; P188-F507 HydrophobicContact CB-CE1 4.2Å; P188-F507 HydrophobicContact CB-CG 4.18Å; P188-F507 HydrophobicContact CG-CD1 3.9Å; P188-F507 HydrophobicContact CG-CD2 3.64Å; P188-F507 HydrophobicContact CG-CE1 3.93Å; P188-F507 HydrophobicContact CG-CE2 3.69Å; P188-F507 HydrophobicContact CG-CG 3.75Å; P188-F507 HydrophobicContact CG-CZ 3.83Å
189Y95.9Very high96.7Very high9 Ų927.3 Ų27.34%0.03518%0.176CC..Hα-helixtrans-63.9-42.7-177.2-177.6-81.3000110.8D187 Q191 V192 V193 S223 K500 R503D187-Y189 VanDerWaalsContact C-N 3.34Å; D187-Y189 PolarHBondContact O-N 3.02Å; D187-Y189 PolarHBondContact OD1-N 3.05Å; Y189-Q191 PolarHBondContact O-N 3.18Å; Y189-V192 PolarHBondContact O-N 3.28Å; Y189-V193 HydrophobicContact CD1-CB 4.34Å; Y189-V193 HydrophobicContact CD1-CG1 4.36Å; Y189-V193 HydrophobicContact CE1-CB 4.1Å; Y189-V193 HydrophobicContact CE1-CG1 4.29Å; Y189-V193 HydrophobicContact CE1-CG2 4.24Å; Y189-V193 WeakPolarHBondContact O-CB 3.49Å; Y189-V193 VanDerWaalsContact O-CG1 3.28Å; Y189-V193 WeakPolarHBondContact O-CG1 3.11Å; Y189-V193 PolarHBondContact O-N 2.78Å; Y189-S223 PolarHBondContact OH-OG 2.82Å; Y189-S223 VanDerWaalsContact OH-OG 3.1Å; Y189-K500 HydrophobicContact CE2-CD 4.18Å; Y189-K500 WeakPolarHBondContact OH-CE 3.31Å; Y189-R503 VanDerWaalsContact CD1-CZ 3.4Å
190N94Very high96.7Very high46 Ų4626.3 Ų26.325%0.24617%0.171CC..Hα-helixtrans-64.6-27.2-179.8-82.2-11.1000113.6D187 P188 V194 R503D187-N190 HydrophobicContact CB-CB 4.33Å; D187-N190 PolarHBondContact O-N 3.41Å; D187-N190 PolarHBondContact OD2-ND2 3.24Å; P188-N190 VanDerWaalsContact C-N 3.33Å; P188-N190 PolarHBondContact O-N 2.89Å; N190-V194 WeakPolarHBondContact O-CG2 3.34Å; N190-R503 PolarHBondContact OD1-NH1 3.33Å
191Q95.9Very high96.7Very high38 Ų3824 Ų2418%0.17816%0.16CC..Hα-helixtrans-84.3-47.3176.1-48.4-43.3-6000110.5L172 L176 L179 F186 P188 Y189 V193 V194 S195L172-Q191 HydrophobicContact CD1-CB 3.65Å; L176-Q191 HydrophobicContact CD2-CB 4.13Å; L176-Q191 HydrophobicContact CD2-CG 3.88Å; L179-Q191 HydrophobicContact CD1-CG 3.99Å; F186-Q191 HydrophobicContact CD2-CG 4.33Å; P188-Q191 PolarHBondContact O-N 3.1Å; Y189-Q191 PolarHBondContact O-N 3.18Å; Q191-V193 PolarHBondContact O-N 3.04Å; Q191-V194 PolarHBondContact O-N 3.1Å; Q191-S195 PolarHBondContact O-N 3.38Å
192V97.1Very high96.6Very high4 Ų420.4 Ų20.42%0.02413%0.13CC..Hα-helixtrans-60.5-44.8-179168.10000111.8L172 P188 Y189 V194 S195 V196 A323 I326 L330L172-V192 HydrophobicContact CD2-CG2 4.47Å; P188-V192 WeakPolarHBondContact O-CB 3.35Å; P188-V192 VanDerWaalsContact O-CG2 3.24Å; P188-V192 WeakPolarHBondContact O-CG2 3.36Å; P188-V192 PolarHBondContact O-N 3.49Å; Y189-V192 PolarHBondContact O-N 3.28Å; V192-V194 PolarHBondContact O-N 3.01Å; V192-S195 PolarHBondContact O-N 3.35Å; V192-V196 HydrophobicContact CG1-CG2 3.99Å; V192-V196 VanDerWaalsContact O-CG2 3.3Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.6Å; V192-A323 HydrophobicContact CG1-CB 4.25Å; V192-I326 HydrophobicContact CB-CG2 4.48Å; V192-I326 HydrophobicContact CG1-CB 3.74Å; V192-I326 HydrophobicContact CG1-CD1 4.35Å; V192-I326 HydrophobicContact CG1-CG2 3.69Å; V192-I326 HydrophobicContact CG2-CG2 3.88Å; V192-L330 HydrophobicContact CG2-CD1 3.79Å
193V96.3Very high96.5Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-61.4-31.3-175.773.70000112.5Y189 Q191 A197 V220 K221 F319 A323Y189-V193 HydrophobicContact CD1-CB 4.34Å; Y189-V193 HydrophobicContact CD1-CG1 4.36Å; Y189-V193 HydrophobicContact CE1-CB 4.1Å; Y189-V193 HydrophobicContact CE1-CG1 4.29Å; Y189-V193 HydrophobicContact CE1-CG2 4.24Å; Y189-V193 WeakPolarHBondContact O-CB 3.49Å; Y189-V193 VanDerWaalsContact O-CG1 3.28Å; Y189-V193 WeakPolarHBondContact O-CG1 3.11Å; Y189-V193 PolarHBondContact O-N 2.78Å; Q191-V193 PolarHBondContact O-N 3.04Å; V193-A197 WeakPolarHBondContact O-CB 3.32Å; V193-A197 PolarHBondContact O-N 3.05Å; V193-V220 HydrophobicContact CG1-CG2 4.41Å; V193-V220 HydrophobicContact CG2-CB 4.06Å; V193-V220 HydrophobicContact CG2-CG2 4.3Å; V193-K221 HydrophobicContact CG1-CG 3.92Å; V193-F319 HydrophobicContact CG2-CD2 4.23Å; V193-A323 HydrophobicContact CB-CB 4.01Å; V193-A323 HydrophobicContact CG2-CB 3.93Å
194V95.8Very high96.5Very high29 Ų2913.9 Ų13.918%0.1768%0.078CC..Hα-helixtrans-71.8-51.3178.2178.50000110.3N190 Q191 V192 V196 A197 N198 L217N190-V194 WeakPolarHBondContact O-CG2 3.34Å; Q191-V194 PolarHBondContact O-N 3.1Å; V192-V194 PolarHBondContact O-N 3.01Å; V194-V196 VanDerWaalsContact C-N 3.32Å; V194-V196 PolarHBondContact O-N 3.03Å; V194-A197 PolarHBondContact O-N 3.48Å; V194-A197 VanDerWaalsContact O-N 3.14Å; V194-N198 VanDerWaalsContact O-CG 3.29Å; V194-N198 PolarHBondContact O-N 2.84Å; V194-N198 PolarHBondContact O-OD1 3.27Å; V194-L217 HydrophobicContact CB-CD2 4.37Å; V194-L217 HydrophobicContact CG1-CD2 3.84Å; V194-L217 HydrophobicContact CG2-CD2 3.6Å
195S96.9Very high96.3Very high9 Ų913 Ų136%0.0637%0.068CC..Hα-helixtrans-59.5-42.1178.7-59.60000112.4Q191 V192 N198 V199Q191-S195 PolarHBondContact O-N 3.38Å; V192-S195 PolarHBondContact O-N 3.35Å; S195-N198 WeakPolarHBondContact O-CB 3.39Å; S195-N198 PolarHBondContact O-N 3.11Å; S195-V199 WeakPolarHBondContact O-CG2 3.24Å; S195-V199 PolarHBondContact O-N 3.46Å; S195-V199 VanDerWaalsContact O-N 3.12Å
196V97.6Very high96.1Very high0 Ų010.2 Ų10.20%06%0.061CC..Hα-helixtrans-67.1-41.7176.2176.20000111V192 V194 N198 V199 I200 F319 I322 A323 I326 F471V192-V196 HydrophobicContact CG1-CG2 3.99Å; V192-V196 VanDerWaalsContact O-CG2 3.3Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.6Å; V194-V196 VanDerWaalsContact C-N 3.32Å; V194-V196 PolarHBondContact O-N 3.03Å; V196-N198 VanDerWaalsContact C-N 3.27Å; V196-N198 PolarHBondContact O-N 3.36Å; V196-V199 PolarHBondContact O-N 3.4Å; V196-I200 PolarHBondContact O-N 3Å; V196-I200 VanDerWaalsContact O-N 3.14Å; V196-F319 HydrophobicContact CG1-CB 4.49Å; V196-I322 HydrophobicContact CG1-CB 3.64Å; V196-I322 HydrophobicContact CG1-CG2 3.75Å; V196-I322 HydrophobicContact CG2-CG2 4.02Å; V196-A323 HydrophobicContact CB-CB 4.43Å; V196-A323 HydrophobicContact CG2-CB 4.47Å; V196-I326 HydrophobicContact CG2-CD1 3.82Å; V196-F471 HydrophobicContact CG2-CE2 4.1Å; V196-F471 HydrophobicContact CG2-CZ 4.41Å
197A97Very high95.5Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-61.6-36.5175.700000112V193 V194 G201 Y209 M216 V220 F319V193-A197 WeakPolarHBondContact O-CB 3.32Å; V193-A197 PolarHBondContact O-N 3.05Å; V194-A197 PolarHBondContact O-N 3.48Å; V194-A197 VanDerWaalsContact O-N 3.14Å; A197-G201 WeakPolarHBondContact O-CA 3.33Å; A197-G201 PolarHBondContact O-N 2.94Å; A197-Y209 WeakPolarHBondContact CB-OH 3.46Å; A197-Y209 PolarHBondContact O-OH 3.4Å; A197-Y209 VanDerWaalsContact O-OH 3.14Å; A197-M216 HydrophobicContact CB-SD 4.49Å; A197-V220 HydrophobicContact CB-CB 4.29Å; A197-V220 HydrophobicContact CB-CG1 3.82Å; A197-V220 HydrophobicContact CB-CG2 4.34Å; A197-F319 HydrophobicContact CB-CB 4.11Å
198N96.5Very high94.9Very high13 Ų1318 Ų187%0.0710%0.098CC..Hα-helixtrans-63.6-43.2173.8-68.1-10000112.2E168 V194 S195 V196 G201 A202 Y209E168-N198 VanDerWaalsContact CD-CB 3.44Å; E168-N198 HydrophobicContact CG-CB 3.91Å; E168-N198 WeakPolarHBondContact OE2-CB 3.13Å; E168-N198 PolarHBondContact OE2-ND2 2.89Å; V194-N198 VanDerWaalsContact O-CG 3.29Å; V194-N198 PolarHBondContact O-N 2.84Å; V194-N198 PolarHBondContact O-OD1 3.27Å; S195-N198 WeakPolarHBondContact O-CB 3.39Å; S195-N198 PolarHBondContact O-N 3.11Å; V196-N198 VanDerWaalsContact C-N 3.27Å; V196-N198 PolarHBondContact O-N 3.36Å; N198-G201 PolarHBondContact O-N 3.09Å; N198-A202 WeakPolarHBondContact O-CB 3.38Å; N198-A202 PolarHBondContact O-N 2.87Å; N198-Y209 HydrophobicContact CB-CE1 4.43Å; N198-Y209 WeakPolarHBondContact OD1-CE1 3.28Å
199V97.4Very high94.5Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-58.6-53.8176.6170.40000111.4L161 H164 V165 E168 S195 V196 G201 M203 E467 F471L161-V199 HydrophobicContact CD1-CG1 4.04Å; H164-V199 HydrophobicContact CB-CG1 4.21Å; H164-V199 HydrophobicContact CB-CG2 4.38Å; V165-V199 HydrophobicContact CG2-CG1 3.92Å; V165-V199 HydrophobicContact CG2-CG2 4Å; E168-V199 HydrophobicContact CB-CG2 3.88Å; E168-V199 HydrophobicContact CG-CG2 3.74Å; S195-V199 WeakPolarHBondContact O-CG2 3.24Å; S195-V199 PolarHBondContact O-N 3.46Å; S195-V199 VanDerWaalsContact O-N 3.12Å; V196-V199 PolarHBondContact O-N 3.4Å; V199-G201 VanDerWaalsContact C-N 3.34Å; V199-M203 HydrophobicContact CG1-CE 3.68Å; V199-M203 PolarHBondContact O-N 3.44Å; V199-E467 WeakPolarHBondContact CG1-OE1 3.34Å; V199-F471 HydrophobicContact CG2-CE2 4.08Å; V199-F471 HydrophobicContact CG2-CZ 3.88Å
200I97.4Very high94Very high2 Ų220 Ų201%0.0111%0.11CC..Hα-helixtrans-71.5-30.1179.1-166.465000112.9V196 M203 C204 I314 F315 F319V196-I200 PolarHBondContact O-N 3Å; V196-I200 VanDerWaalsContact O-N 3.14Å; I200-M203 HydrophobicContact CD1-CE 3.77Å; I200-M203 PolarHBondContact O-N 3.46Å; I200-C204 VanDerWaalsContact O-CB 3.23Å; I200-C204 WeakPolarHBondContact O-CB 3.16Å; I200-C204 PolarHBondContact O-N 2.92Å; I200-C204 PolarHBondContact O-SG 3.2Å; I200-I314 HydrophobicContact CD1-CG2 3.97Å; I200-F315 HydrophobicContact CG1-CD2 4.42Å; I200-F315 HydrophobicContact CG2-CD2 3.72Å; I200-F315 HydrophobicContact CG2-CE2 3.85Å; I200-F319 HydrophobicContact CG2-CB 3.89Å
201G96.3Very high93.1Very high0 Ų021.3 Ų21.30%012%0.115CC..Hα-helixtrans-61.7-48.4174.100000112.1A197 N198 V199 M203 C204 F205 Y209A197-G201 WeakPolarHBondContact O-CA 3.33Å; A197-G201 PolarHBondContact O-N 2.94Å; N198-G201 PolarHBondContact O-N 3.09Å; V199-G201 VanDerWaalsContact C-N 3.34Å; G201-M203 PolarHBondContact O-N 3.38Å; G201-C204 PolarHBondContact O-N 2.47Å; G201-F205 WeakPolarHBondContact O-CD2 3.42Å; G201-F205 PolarHBondContact O-N 2.92Å; G201-Y209 VanDerWaalsContact CA-CE2 3.47Å
202A95Very high92.2Very high16 Ų1624.7 Ų24.713%0.13214%0.143CC..Hα-helixtrans-60.7-45.3175.900000111.7N198 C204 G206N198-A202 WeakPolarHBondContact O-CB 3.38Å; N198-A202 PolarHBondContact O-N 2.87Å; A202-C204 VanDerWaalsContact C-N 3.3Å; A202-C204 PolarHBondContact O-N 2.62Å; A202-G206 WeakPolarHBondContact O-CA 3.39Å; A202-G206 PolarHBondContact O-N 3.43Å
203M95.5Very high91.7Very high2 Ų226.1 Ų26.11%0.0115%0.153CC..Hα-helixtrans-63.9-34.8176.2-68.6-169.4-86.200112.9F147 S148 L161 V199 I200 G201 D282 I283 L463F147-M203 VanDerWaalsContact O-CG 3.28Å; F147-M203 WeakPolarHBondContact O-CG 3.22Å; F147-M203 VanDerWaalsContact O-SD 3.37Å; S148-M203 WeakPolarHBondContact CB-SD 3.48Å; L161-M203 HydrophobicContact CD1-CE 4.07Å; V199-M203 HydrophobicContact CG1-CE 3.68Å; V199-M203 PolarHBondContact O-N 3.44Å; I200-M203 HydrophobicContact CD1-CE 3.77Å; I200-M203 PolarHBondContact O-N 3.46Å; G201-M203 PolarHBondContact O-N 3.38Å; M203-D282 WeakPolarHBondContact O-CB 3.23Å; M203-I283 HydrophobicContact CB-CD1 4.38Å; M203-I283 WeakPolarHBondContact O-CG1 3.4Å; M203-I283 PolarHBondContact O-N 3.21Å; M203-L463 HydrophobicContact CE-CD1 4.05Å; M203-L463 HydrophobicContact CE-CD2 4.26Å; M203-L463 HydrophobicContact SD-CD1 4.32Å
204C95.8Very high91.4Very high0 Ų032.5 Ų32.50%019%0.187CC..Hα-helixtrans-80.4-41.2-177.3-78.80000113.7I200 G201 A202 T284 V311I200-C204 VanDerWaalsContact O-CB 3.23Å; I200-C204 WeakPolarHBondContact O-CB 3.16Å; I200-C204 PolarHBondContact O-N 2.92Å; I200-C204 PolarHBondContact O-SG 3.2Å; G201-C204 PolarHBondContact O-N 2.47Å; A202-C204 VanDerWaalsContact C-N 3.3Å; A202-C204 PolarHBondContact O-N 2.62Å; C204-T284 VanDerWaalsContact O-CB 3.28Å; C204-T284 WeakPolarHBondContact O-CB 3.28Å; C204-T284 PolarHBondContact O-N 2.7Å; C204-T284 VanDerWaalsContact O-N 3.09Å; C204-T284 PolarHBondContact O-OG1 3.21Å; C204-V311 HydrophobicContact CB-CG2 3.68Å
205F94.4Very high91.1Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-128.8-3.7-165.9-49.6-71000113.9G201 Q207 H208 Y209 L264 T267 V268 T284 V311 F315G201-F205 WeakPolarHBondContact O-CD2 3.42Å; G201-F205 PolarHBondContact O-N 2.92Å; F205-Q207 PolarHBondContact O-N 2.7Å; F205-H208 WeakPolarHBondContact O-CB 3.3Å; F205-H208 PolarHBondContact O-N 3.35Å; F205-H208 VanDerWaalsContact O-N 3.08Å; F205-H208 PolarHBondContact O-ND1 3.12Å; F205-Y209 AromaticContact CD2-CD2 3.66Å; F205-Y209 HydrophobicContact CD2-CD2 3.66Å; F205-Y209 HydrophobicContact CD2-CE2 4.36Å; F205-Y209 HydrophobicContact CE2-CD2 4.35Å; F205-L264 HydrophobicContact CE1-CD2 4.37Å; F205-L264 HydrophobicContact CE2-CD2 4.05Å; F205-L264 HydrophobicContact CZ-CD2 3.47Å; F205-L264 VanDerWaalsContact CZ-CD2 3.47Å; F205-T267 HydrophobicContact CB-CG2 3.91Å; F205-T267 HydrophobicContact CD1-CG2 3.5Å; F205-T267 HydrophobicContact CD2-CG2 4.24Å; F205-T267 HydrophobicContact CE1-CG2 4.08Å; F205-T267 HydrophobicContact CG-CG2 3.6Å; F205-V268 HydrophobicContact CE1-CG2 4.18Å; F205-T284 WeakPolarHBondContact CD1-OG1 3.41Å; F205-V311 HydrophobicContact CD1-CG2 4.45Å; F205-V311 HydrophobicContact CE1-CB 4.45Å; F205-V311 HydrophobicContact CE1-CG1 4.07Å; F205-V311 HydrophobicContact CE1-CG2 3.56Å; F205-V311 HydrophobicContact CE2-CG2 4.46Å; F205-V311 HydrophobicContact CZ-CG1 4.29Å; F205-V311 HydrophobicContact CZ-CG2 3.55Å; F205-F315 AromaticContact CE2-CD2 3.89Å; F205-F315 HydrophobicContact CE2-CD2 3.89Å; F205-F315 HydrophobicContact CE2-CE2 4.33Å; F205-F315 HydrophobicContact CE2-CG 4.19Å
206G91.9Very high90.8Very high22 Ų2234.1 Ų34.123%0.22719%0.191CC..G310 helixtrans56.8-133.9-178.100000111.7A202 H208 Y209A202-G206 WeakPolarHBondContact O-CA 3.39Å; A202-G206 PolarHBondContact O-N 3.43Å; G206-H208 PolarHBondContact O-N 3.45Å; G206-Y209 WeakPolarHBondContact O-CB 3.2Å; G206-Y209 PolarHBondContact O-N 3.2Å
207Q85.4Confident90.5Very high152 Ų15235.8 Ų35.871%0.7120%0.2SC*.G310 helixtrans-63-17177.367.1-174.99.200114.6F205 Y209F205-Q207 PolarHBondContact O-N 2.7Å; Q207-Y209 PolarHBondContact O-N 3Å
208H85Confident90.4Very high35 Ų3538 Ų3816%0.16222%0.216CC..G310 helixtrans-82.6-1.1179.7-51.692.9000112.4F205 G206 P210 H271 D274F205-H208 WeakPolarHBondContact O-CB 3.3Å; F205-H208 PolarHBondContact O-N 3.35Å; F205-H208 VanDerWaalsContact O-N 3.08Å; F205-H208 PolarHBondContact O-ND1 3.12Å; G206-H208 PolarHBondContact O-N 3.45Å; H208-P210 VanDerWaalsContact O-CD 3.31Å; H208-P210 WeakPolarHBondContact O-CD 3.47Å; H208-H271 AromaticContact CE1-CD2 3.85Å; H208-H271 AromaticContact ND1-CD2 3.3Å; H208-H271 PolarHBondContact ND1-CD2 3.41Å; H208-H271 VanDerWaalsContact ND1-CD2 3.3Å; H208-D274 IonicContact NE2-OD2 2.79Å
209Y88Confident90.2Very high12 Ų1237.6 Ų37.65%0.04721%0.213CC..  trans-74.3119.1176.6-172.7-112.3000111.2A197 N198 G201 F205 G206 Q207 E211 M216 F315A197-Y209 WeakPolarHBondContact CB-OH 3.46Å; A197-Y209 PolarHBondContact O-OH 3.4Å; A197-Y209 VanDerWaalsContact O-OH 3.14Å; N198-Y209 HydrophobicContact CB-CE1 4.43Å; N198-Y209 WeakPolarHBondContact OD1-CE1 3.28Å; G201-Y209 VanDerWaalsContact CA-CE2 3.47Å; F205-Y209 AromaticContact CD2-CD2 3.66Å; F205-Y209 HydrophobicContact CD2-CD2 3.66Å; F205-Y209 HydrophobicContact CD2-CE2 4.36Å; F205-Y209 HydrophobicContact CE2-CD2 4.35Å; G206-Y209 WeakPolarHBondContact O-CB 3.2Å; G206-Y209 PolarHBondContact O-N 3.2Å; Q207-Y209 PolarHBondContact O-N 3Å; Y209-E211 HydrophobicContact CD1-CG 3.68Å; Y209-E211 HydrophobicContact CE1-CG 4.12Å; Y209-E211 PolarHBondContact O-N 3.14Å; Y209-M216 HydrophobicContact CE1-CE 4.15Å; Y209-M216 HydrophobicContact CE2-CG 4.33Å; Y209-M216 WeakPolarHBondContact OH-CG 3.39Å; Y209-M216 PolarHBondContact OH-SD 3.02Å; Y209-F315 AromaticContact CE2-CE2 3.63Å; Y209-F315 HydrophobicContact CE2-CE2 3.63Å; Y209-F315 AromaticContact CE2-CZ 3.88Å; Y209-F315 HydrophobicContact CE2-CZ 3.88Å
210P84.1Confident90.1Very high40 Ų4037.6 Ų37.626%0.2621%0.214SC..  trans-85.477.6-175.535.4-35.7000111.3H208 S212 S213 F263H208-P210 VanDerWaalsContact O-CD 3.31Å; H208-P210 WeakPolarHBondContact O-CD 3.47Å; P210-S212 PolarHBondContact O-N 3.46Å; P210-S213 PolarHBondContact O-N 3.3Å; P210-F263 HydrophobicContact CG-CE2 3.69Å; P210-F263 HydrophobicContact CG-CZ 3.8Å
211E76.6Confident89.9Confident74 Ų7440.7 Ų40.735%0.34623%0.227SC..THydrogen-bonded Turntrans-50.3-29.7-176-67.2179.7-178.200114.2K167 Y209 M216K167-E211 IonicContact NZ-OE1 3.54Å; K167-E211 PolarHBondContact NZ-OE1 2.72Å; K167-E211 IonicContact NZ-OE2 2.76Å; Y209-E211 HydrophobicContact CD1-CG 3.68Å; Y209-E211 HydrophobicContact CE1-CG 4.12Å; Y209-E211 PolarHBondContact O-N 3.14Å; E211-M216 VanDerWaalsContact C-CE 3.48Å; E211-M216 WeakPolarHBondContact O-CE 3.48Å
212S76.3Confident89.7Confident109 Ų10943 Ų4376%0.76224%0.239SC*.THydrogen-bonded Turntrans-111.413-176.6-57.10000114.3P210 D214P210-S212 PolarHBondContact O-N 3.46Å; S212-D214 PolarHBondContact O-N 2.99Å
213S87.5Confident89.7Confident33 Ų3342.3 Ų42.323%0.23123%0.234CC..  trans-73125.9178.7172.40000111.5P210 E215 M216 L217P210-S213 PolarHBondContact O-N 3.3Å; S213-E215 PolarHBondContact O-N 3.35Å; S213-E215 WeakPolarHBondContact OG-CB 3.49Å; S213-E215 PolarHBondContact OG-N 3.44Å; S213-M216 WeakPolarHBondContact O-CB 3.39Å; S213-M216 PolarHBondContact O-N 3.48Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å; S213-L217 PolarHBondContact O-N 3.36Å
214D89.4Confident89.6Confident134 Ų13445.9 Ų45.972%0.71725%0.25SS*.Hα-helixtrans-56.2-32.8172.5-73.5-30.7000112.2S212 S218S212-D214 PolarHBondContact O-N 2.99Å; D214-S218 WeakPolarHBondContact O-CB 3.19Å; D214-S218 PolarHBondContact O-N 2.7Å
215E89.9Confident89.5Confident71 Ų7147 Ų4733%0.33226%0.256SS..Hα-helixtrans-63.7-45.9175.4-173.4179.6-170.100111.1S213 S218 L219 F263S213-E215 PolarHBondContact O-N 3.35Å; S213-E215 WeakPolarHBondContact OG-CB 3.49Å; S213-E215 PolarHBondContact OG-N 3.44Å; E215-S218 PolarHBondContact O-N 3.01Å; E215-L219 WeakPolarHBondContact O-CG 3.45Å; E215-L219 PolarHBondContact O-N 2.62Å; E215-F263 HydrophobicContact CG-CD2 4.16Å
216M90.5Very high89.6Confident1 Ų148.7 Ų48.71%0.00526%0.263CS..Hα-helixtrans-64.4-49.5177.6179.4-82.8-76.200110.9A197 Y209 E211 S213 S218 L219 V220 F263A197-M216 HydrophobicContact CB-SD 4.49Å; Y209-M216 HydrophobicContact CE1-CE 4.15Å; Y209-M216 HydrophobicContact CE2-CG 4.33Å; Y209-M216 WeakPolarHBondContact OH-CG 3.39Å; Y209-M216 PolarHBondContact OH-SD 3.02Å; E211-M216 VanDerWaalsContact C-CE 3.48Å; E211-M216 WeakPolarHBondContact O-CE 3.48Å; S213-M216 WeakPolarHBondContact O-CB 3.39Å; S213-M216 PolarHBondContact O-N 3.48Å; M216-S218 VanDerWaalsContact C-N 3.27Å; M216-S218 PolarHBondContact O-N 2.73Å; M216-L219 WeakPolarHBondContact O-CB 3.27Å; M216-L219 PolarHBondContact O-N 3.1Å; M216-L219 VanDerWaalsContact O-N 3.08Å; M216-V220 WeakPolarHBondContact O-CG2 3.36Å; M216-V220 PolarHBondContact O-N 2.97Å; M216-V220 HydrophobicContact SD-CG1 4.15Å; M216-V220 HydrophobicContact SD-CG2 4.04Å; M216-F263 HydrophobicContact CB-CE2 3.87Å; M216-F263 HydrophobicContact CB-CZ 3.83Å; M216-F263 HydrophobicContact CG-CZ 3.96Å
217L91.4Very high89.7Confident36 Ų3647.9 Ų47.919%0.18825%0.254CS..Hα-helixtrans-59.6-40.7179.7-66.3176.6000111.4V194 S213 K221V194-L217 HydrophobicContact CB-CD2 4.37Å; V194-L217 HydrophobicContact CG1-CD2 3.84Å; V194-L217 HydrophobicContact CG2-CD2 3.6Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å; S213-L217 PolarHBondContact O-N 3.36Å; L217-K221 VanDerWaalsContact O-CB 3.26Å; L217-K221 WeakPolarHBondContact O-CB 3.13Å; L217-K221 WeakPolarHBondContact O-CD 3.49Å; L217-K221 WeakPolarHBondContact O-CG 3.3Å; L217-K221 PolarHBondContact O-N 3.34Å; L217-K221 VanDerWaalsContact O-N 3.11Å
218S93.4Very high90.1Very high46 Ų4645.1 Ų45.132%0.32224%0.241SC..Hα-helixtrans-63-42.9175.4-175.20000111.7D214 E215 M216 N222D214-S218 WeakPolarHBondContact O-CB 3.19Å; D214-S218 PolarHBondContact O-N 2.7Å; E215-S218 PolarHBondContact O-N 3.01Å; M216-S218 VanDerWaalsContact C-N 3.27Å; M216-S218 PolarHBondContact O-N 2.73Å; S218-N222 VanDerWaalsContact O-CB 3.3Å; S218-N222 WeakPolarHBondContact O-CB 3.32Å; S218-N222 PolarHBondContact O-N 3.12Å; S218-N222 PolarHBondContact O-ND2 2.83Å
219L93.8Very high90.5Very high4 Ų443.7 Ų43.72%0.02124%0.235CC..Hα-helixtrans-63.6-52.6177.7-76.8169.8000112E215 M216 K221 N222 S223 F256 R259 F260 F263E215-L219 WeakPolarHBondContact O-CG 3.45Å; E215-L219 PolarHBondContact O-N 2.62Å; M216-L219 WeakPolarHBondContact O-CB 3.27Å; M216-L219 PolarHBondContact O-N 3.1Å; M216-L219 VanDerWaalsContact O-N 3.08Å; L219-K221 PolarHBondContact O-N 3.04Å; L219-N222 PolarHBondContact O-N 3.27Å; L219-S223 PolarHBondContact O-N 3.2Å; L219-F256 HydrophobicContact CD2-CE2 4.32Å; L219-F256 WeakPolarHBondContact O-CE2 3.42Å; L219-R259 HydrophobicContact CD2-CB 3.79Å; L219-F260 HydrophobicContact CD2-CB 4.16Å; L219-F263 HydrophobicContact CD1-CB 3.52Å; L219-F263 HydrophobicContact CD1-CD1 3.92Å; L219-F263 HydrophobicContact CD1-CD2 4.28Å; L219-F263 HydrophobicContact CD1-CG 3.64Å
220V93.9Very high90.8Very high1 Ų143.1 Ų43.11%0.00623%0.232CC..Hα-helixtrans-70.6-35.1-172.5-57.70000112.2V193 A197 M216 N222 F315 F319V193-V220 HydrophobicContact CG1-CG2 4.41Å; V193-V220 HydrophobicContact CG2-CB 4.06Å; V193-V220 HydrophobicContact CG2-CG2 4.3Å; A197-V220 HydrophobicContact CB-CB 4.29Å; A197-V220 HydrophobicContact CB-CG1 3.82Å; A197-V220 HydrophobicContact CB-CG2 4.34Å; M216-V220 WeakPolarHBondContact O-CG2 3.36Å; M216-V220 PolarHBondContact O-N 2.97Å; M216-V220 HydrophobicContact SD-CG1 4.15Å; M216-V220 HydrophobicContact SD-CG2 4.04Å; V220-N222 VanDerWaalsContact C-N 3.3Å; V220-N222 PolarHBondContact O-N 3.37Å; V220-F315 HydrophobicContact CG1-CZ 4.36Å; V220-F319 HydrophobicContact CB-CD2 4.09Å; V220-F319 HydrophobicContact CB-CE2 4.08Å; V220-F319 HydrophobicContact CG1-CD1 4.33Å; V220-F319 HydrophobicContact CG1-CD2 4.16Å; V220-F319 HydrophobicContact CG1-CE1 4.37Å; V220-F319 HydrophobicContact CG1-CE2 4.22Å; V220-F319 HydrophobicContact CG1-CG 4.26Å; V220-F319 HydrophobicContact CG1-CZ 4.34Å
221K92.8Very high91.2Very high66 Ų6641.7 Ų41.729%0.28722%0.223SC..Hα-helixtrans-71.2-25.2177.1-69.2173.6-177.8173.90113V193 L217 L219V193-K221 HydrophobicContact CG1-CG 3.92Å; L217-K221 VanDerWaalsContact O-CB 3.26Å; L217-K221 WeakPolarHBondContact O-CB 3.13Å; L217-K221 WeakPolarHBondContact O-CD 3.49Å; L217-K221 WeakPolarHBondContact O-CG 3.3Å; L217-K221 PolarHBondContact O-N 3.34Å; L217-K221 VanDerWaalsContact O-N 3.11Å; L219-K221 PolarHBondContact O-N 3.04Å
222N94Very high92.1Very high49 Ų4938.4 Ų38.426%0.26221%0.208SC..THydrogen-bonded Turntrans-100.721.2-179.4-65.7-57.2000113.8S218 L219 V220 H224 E225S218-N222 VanDerWaalsContact O-CB 3.3Å; S218-N222 WeakPolarHBondContact O-CB 3.32Å; S218-N222 PolarHBondContact O-N 3.12Å; S218-N222 PolarHBondContact O-ND2 2.83Å; L219-N222 PolarHBondContact O-N 3.27Å; V220-N222 VanDerWaalsContact C-N 3.3Å; V220-N222 PolarHBondContact O-N 3.37Å; N222-H224 PolarHBondContact O-N 3.4Å; N222-E225 WeakPolarHBondContact O-CB 3.13Å; N222-E225 WeakPolarHBondContact O-CG 3.22Å; N222-E225 PolarHBondContact O-N 2.86Å
223S93.9Very high92.9Very high2 Ų233.8 Ų33.81%0.01418%0.178CC..THydrogen-bonded Turntrans-60.1-17.7178.472.30000114.6Y189 L219 E225 F226 V227 D320Y189-S223 PolarHBondContact OH-OG 2.82Å; Y189-S223 VanDerWaalsContact OH-OG 3.1Å; L219-S223 PolarHBondContact O-N 3.2Å; S223-E225 PolarHBondContact O-N 2.86Å; S223-F226 WeakPolarHBondContact O-CB 3.48Å; S223-F226 PolarHBondContact O-N 3.35Å; S223-V227 PolarHBondContact O-N 3.1Å; S223-V227 VanDerWaalsContact O-N 3.16Å; S223-D320 VanDerWaalsContact CB-OD1 3.23Å; S223-D320 WeakPolarHBondContact CB-OD1 3.5Å; S223-D320 PolarHBondContact OG-OD1 3.37Å
224H92.6Very high93.3Very high77 Ų7733.3 Ų33.336%0.35617%0.173SC..Hα-helixtrans-56.8-32.8172.271.5-84000112.5N222 F226 V227 E228N222-H224 PolarHBondContact O-N 3.4Å; H224-F226 PolarHBondContact O-N 2.8Å; H224-V227 PolarHBondContact O-N 3.33Å; H224-E228 WeakPolarHBondContact O-CB 3.2Å; H224-E228 PolarHBondContact O-N 3.01Å; H224-E228 VanDerWaalsContact O-N 3.14Å
225E95.1Very high93.7Very high24 Ų2429.4 Ų29.411%0.11216%0.155CC..Hα-helixtrans-61.8-30.2175.6-62.8-175.6163.900112.2N222 S223 R252 F253 F256 R259N222-E225 WeakPolarHBondContact O-CB 3.13Å; N222-E225 WeakPolarHBondContact O-CG 3.22Å; N222-E225 PolarHBondContact O-N 2.86Å; S223-E225 PolarHBondContact O-N 2.86Å; E225-R252 HydrophobicContact CB-CB 4.37Å; E225-R252 HydrophobicContact CG-CB 4.15Å; E225-F253 WeakPolarHBondContact O-CD2 3.44Å; E225-F256 HydrophobicContact CB-CB 4.11Å; E225-F256 HydrophobicContact CB-CD2 4.16Å; E225-F256 HydrophobicContact CB-CG 4.31Å; E225-R259 IonicContact OE2-NH2 3.83Å; E225-R259 PolarHBondContact OE2-NH2 2.97Å
226F96.8Very high94Very high35 Ų3526.1 Ų26.115%0.15414%0.139CC..Hα-helixtrans-78.1-55.9174.8-178.4-94.9000111.9I117 F125 S223 H224 E228 S229 A230 F253 F256 L497I117-F226 HydrophobicContact CD1-CE2 3.91Å; I117-F226 HydrophobicContact CD1-CZ 3.9Å; I117-F226 HydrophobicContact CG1-CE2 3.96Å; I117-F226 HydrophobicContact CG1-CZ 4.43Å; I117-F226 HydrophobicContact CG2-CE2 4.12Å; I117-F226 HydrophobicContact CG2-CZ 4.38Å; F125-F226 AromaticContact CE2-CZ 3.97Å; F125-F226 HydrophobicContact CE2-CZ 3.97Å; F125-F226 HydrophobicContact CZ-CE1 4.26Å; F125-F226 AromaticContact CZ-CZ 3.98Å; F125-F226 HydrophobicContact CZ-CZ 3.98Å; S223-F226 WeakPolarHBondContact O-CB 3.48Å; S223-F226 PolarHBondContact O-N 3.35Å; H224-F226 PolarHBondContact O-N 2.8Å; F226-E228 VanDerWaalsContact C-N 3.33Å; F226-E228 PolarHBondContact O-N 2.95Å; F226-S229 PolarHBondContact O-N 2.92Å; F226-A230 HydrophobicContact CD1-CB 4.25Å; F226-A230 HydrophobicContact CE1-CB 3.9Å; F226-A230 HydrophobicContact CZ-CB 4.04Å; F226-A230 WeakPolarHBondContact O-CB 3.32Å; F226-A230 PolarHBondContact O-N 2.71Å; F226-F253 HydrophobicContact CD2-CD2 4.43Å; F226-F253 AromaticContact CD2-CE2 3.69Å; F226-F253 HydrophobicContact CD2-CE2 3.69Å; F226-F253 HydrophobicContact CD2-CZ 4.48Å; F226-F253 HydrophobicContact CE2-CE2 4.07Å; F226-F253 HydrophobicContact CE2-CZ 4.47Å; F226-F253 HydrophobicContact CG-CE2 4.27Å; F226-F253 WeakPolarHBondContact O-CE2 3.26Å; F226-F256 HydrophobicContact CB-CD1 3.78Å; F226-F256 HydrophobicContact CB-CE1 3.61Å; F226-F256 HydrophobicContact CB-CG 4.46Å; F226-F256 HydrophobicContact CB-CZ 4.14Å; F226-F256 HydrophobicContact CD2-CD1 4.09Å; F226-F256 AromaticContact CD2-CE1 4Å; F226-F256 HydrophobicContact CD2-CE1 4Å; F226-F256 HydrophobicContact CG-CD1 4.39Å; F226-F256 HydrophobicContact CG-CE1 4.1Å; F226-L497 HydrophobicContact CE1-CD2 3.99Å
227V94.1Very high94.3Very high5 Ų526.6 Ų26.63%0.0314%0.142CC..Hα-helixtrans-71.5-26.7-166.7-54.40000113S223 H224 G496 L497 T498S223-V227 PolarHBondContact O-N 3.1Å; S223-V227 VanDerWaalsContact O-N 3.16Å; H224-V227 PolarHBondContact O-N 3.33Å; V227-G496 CarbonylContact O-C 3.43Å; V227-G496 WeakPolarHBondContact O-CA 3.3Å; V227-L497 HydrophobicContact CB-CB 4.12Å; V227-L497 PolarHBondContact O-N 2.89Å; V227-T498 WeakPolarHBondContact CG1-OG1 3.27Å
228E92.3Very high94.5Very high94 Ų9425.3 Ų25.344%0.43914%0.135SC..Hα-helixtrans-62.9-46.8174.4-174.3-178.4-175.900110.4H224 F226 S231H224-E228 WeakPolarHBondContact O-CB 3.2Å; H224-E228 PolarHBondContact O-N 3.01Å; H224-E228 VanDerWaalsContact O-N 3.14Å; F226-E228 VanDerWaalsContact C-N 3.33Å; F226-E228 PolarHBondContact O-N 2.95Å; E228-S231 PolarHBondContact O-OG 2.91Å
229S93.8Very high94.7Very high5 Ų524.6 Ų24.64%0.03513%0.126CC..Hα-helixtrans-87.1-26.7-174.6-70.90000114.2F226 S231 N234 F253F226-S229 PolarHBondContact O-N 2.92Å; S229-S231 PolarHBondContact O-N 2.9Å; S229-N234 WeakPolarHBondContact CA-ND2 3.4Å; S229-N234 PolarHBondContact O-ND2 3.47Å; S229-F253 VanDerWaalsContact CB-CD2 3.4Å; S229-F253 VanDerWaalsContact CB-CG 3.47Å
230A93.9Very high94.8Very high0 Ų027.9 Ų27.90%015%0.147CC..THydrogen-bonded Turntrans-82.813.917600000113.8I117 F226 F253 L497I117-A230 HydrophobicContact CD1-CB 4.42Å; F226-A230 HydrophobicContact CD1-CB 4.25Å; F226-A230 HydrophobicContact CE1-CB 3.9Å; F226-A230 HydrophobicContact CZ-CB 4.04Å; F226-A230 WeakPolarHBondContact O-CB 3.32Å; F226-A230 PolarHBondContact O-N 2.71Å; A230-F253 HydrophobicContact CB-CE2 4.14Å; A230-F253 HydrophobicContact CB-CZ 4.47Å; A230-L497 HydrophobicContact CB-CD2 4.34Å
231S93.9Very high94.8Very high10 Ų1033.2 Ų33.27%0.0718%0.175CC..SBendtrans-87.3152.7-174.566.80000113.6E228 S229 G233 N234E228-S231 PolarHBondContact O-OG 2.91Å; S229-S231 PolarHBondContact O-N 2.9Å; S231-G233 PolarHBondContact O-N 3.27Å; S231-N234 PolarHBondContact O-N 2.91Å
232S95Very high95Very high4 Ų432.7 Ų32.73%0.02818%0.175CC..THydrogen-bonded Turntrans-61.3128.9176.1-620000111P387 Y495S232-P387 WeakPolarHBondContact OG-CG 3.32Å; S232-Y495 PolarHBondContact O-OH 3.29Å
233G93.8Very high95Very high12 Ų1233.7 Ų33.712%0.12418%0.175CC..THydrogen-bonded Turntrans85.413.8177.600000115.1S231 P235 F408S231-G233 PolarHBondContact O-N 3.27Å; G233-P235 VanDerWaalsContact O-CD 3.31Å; G233-P235 WeakPolarHBondContact O-CD 3.25Å; G233-F408 VanDerWaalsContact N-CZ 3.3Å
234N95.8Very high95Very high24 Ų2443 Ų4313%0.12821%0.211CC..  trans-56.9119.6171.7-176-17.2000110.8S229 S231 V236 D237 F238S229-N234 WeakPolarHBondContact CA-ND2 3.4Å; S229-N234 PolarHBondContact O-ND2 3.47Å; S231-N234 PolarHBondContact O-N 2.91Å; N234-V236 PolarHBondContact O-N 3.4Å; N234-V236 VanDerWaalsContact O-N 3.08Å; N234-V236 WeakPolarHBondContact OD1-CG1 3.49Å; N234-V236 PolarHBondContact OD1-N 3.07Å; N234-V236 VanDerWaalsContact OD1-N 3.1Å; N234-D237 PolarHBondContact O-N 3.29Å; N234-D237 VanDerWaalsContact O-N 3.13Å; N234-F238 VanDerWaalsContact O-CD2 3.24Å; N234-F238 WeakPolarHBondContact O-CD2 3.35Å
235P96.1Very high95.2Very high51 Ų5143.7 Ų43.733%0.33122%0.217SC..Hα-helixtrans-55.8-29.2-177.1-29.137.2000115.1V54 G233 D237 F238 F239 L242V54-P235 HydrophobicContact CG2-CG 4.32Å; G233-P235 VanDerWaalsContact O-CD 3.31Å; G233-P235 WeakPolarHBondContact O-CD 3.25Å; P235-D237 PolarHBondContact O-N 3.48Å; P235-D237 VanDerWaalsContact O-N 3.16Å; P235-F238 PolarHBondContact O-N 2.91Å; P235-F238 VanDerWaalsContact O-N 3.09Å; P235-F239 HydrophobicContact CB-CD2 4.07Å; P235-F239 WeakPolarHBondContact O-CD2 3.49Å; P235-F239 PolarHBondContact O-N 3.1Å; P235-L242 HydrophobicContact CB-CD1 3.49Å; P235-L242 VanDerWaalsContact CB-CD1 3.49Å
236V96.4Very high95.2Very high2 Ų248.8 Ų48.81%0.01225%0.252CS..Hα-helixtrans-61-27.2-179.177.30000113.1Y112 N234 R243 L250Y112-V236 HydrophobicContact CD1-CG2 3.89Å; Y112-V236 HydrophobicContact CE1-CG2 4.11Å; N234-V236 PolarHBondContact O-N 3.4Å; N234-V236 VanDerWaalsContact O-N 3.08Å; N234-V236 WeakPolarHBondContact OD1-CG1 3.49Å; N234-V236 PolarHBondContact OD1-N 3.07Å; N234-V236 VanDerWaalsContact OD1-N 3.1Å; V236-R243 HydrophobicContact CG2-CG 3.81Å; V236-R243 PolarHBondContact O-NE 3.46Å; V236-R243 VanDerWaalsContact O-NE 3.07Å; V236-L250 HydrophobicContact CG2-CD1 4.3Å; V236-L250 HydrophobicContact CG2-CD2 4.02Å
237D97.3Very high95.2Very high11 Ų1149 Ų496%0.05926%0.255CS..Hα-helixtrans-76.3-27.9-179.6-70-39000112.2L111 Y112 S113 N234 P235 R243L111-D237 HydrophobicContact CB-CB 4.21Å; L111-D237 HydrophobicContact CD2-CB 4.15Å; Y112-D237 PolarHBondContact N-OD1 2.88Å; S113-D237 WeakPolarHBondContact CB-OD1 3.48Å; S113-D237 PolarHBondContact N-OD1 3.16Å; S113-D237 VanDerWaalsContact OG-CG 3.26Å; S113-D237 PolarHBondContact OG-OD1 2.95Å; S113-D237 VanDerWaalsContact OG-OD1 3.04Å; S113-D237 PolarHBondContact OG-OD2 3.46Å; N234-D237 PolarHBondContact O-N 3.29Å; N234-D237 VanDerWaalsContact O-N 3.13Å; P235-D237 PolarHBondContact O-N 3.48Å; P235-D237 VanDerWaalsContact O-N 3.16Å; D237-R243 PolarHBondContact O-NH2 3.3Å; D237-R243 VanDerWaalsContact O-NH2 3.09Å
238F96.6Very high95.3Very high9 Ų952.8 Ų52.84%0.03928%0.279CS..Hα-helixtrans-108.7-20-171.6-58.1-78.9000113.8I80 T83 V85 L111 N234 P235 F408I80-F238 HydrophobicContact CB-CB 3.96Å; I80-F238 HydrophobicContact CB-CD1 3.9Å; I80-F238 HydrophobicContact CB-CD2 4.04Å; I80-F238 HydrophobicContact CB-CE1 4.42Å; I80-F238 HydrophobicContact CB-CG 3.68Å; I80-F238 HydrophobicContact CD1-CD2 4.08Å; I80-F238 HydrophobicContact CD1-CE1 4.41Å; I80-F238 HydrophobicContact CD1-CE2 3.86Å; I80-F238 HydrophobicContact CD1-CG 4.48Å; I80-F238 HydrophobicContact CD1-CZ 4.03Å; I80-F238 HydrophobicContact CG2-CB 3.51Å; I80-F238 HydrophobicContact CG2-CD1 4.27Å; I80-F238 HydrophobicContact CG2-CD2 3.63Å; I80-F238 HydrophobicContact CG2-CE2 4.45Å; I80-F238 HydrophobicContact CG2-CG 3.53Å; T83-F238 HydrophobicContact CG2-CD1 3.99Å; T83-F238 HydrophobicContact CG2-CE1 4.06Å; V85-F238 HydrophobicContact CG2-CE1 3.91Å; V85-F238 HydrophobicContact CG2-CZ 4.35Å; L111-F238 HydrophobicContact CD2-CZ 4.44Å; N234-F238 VanDerWaalsContact O-CD2 3.24Å; N234-F238 WeakPolarHBondContact O-CD2 3.35Å; P235-F238 PolarHBondContact O-N 2.91Å; P235-F238 VanDerWaalsContact O-N 3.09Å; F238-F408 HydrophobicContact CE2-CZ 4.49Å; F238-F408 HydrophobicContact CZ-CZ 4.03Å
239F96.4Very high95.4Very high31 Ų3149.2 Ų49.214%0.13627%0.266CS..  trans-118.896.7178.9-63-84.6000110.4L51 V54 I80 G81 P235 I241 L242L51-F239 HydrophobicContact CD2-CE1 4.06Å; L51-F239 HydrophobicContact CD2-CZ 4.32Å; V54-F239 HydrophobicContact CB-CE2 4.06Å; V54-F239 HydrophobicContact CB-CZ 4.17Å; V54-F239 HydrophobicContact CG1-CE2 4.13Å; V54-F239 HydrophobicContact CG1-CZ 3.87Å; V54-F239 HydrophobicContact CG2-CE2 3.93Å; V54-F239 HydrophobicContact CG2-CZ 4.5Å; I80-F239 HydrophobicContact CG2-CE2 3.84Å; I80-F239 HydrophobicContact CG2-CZ 4.5Å; G81-F239 VanDerWaalsContact N-CZ 3.26Å; P235-F239 HydrophobicContact CB-CD2 4.07Å; P235-F239 WeakPolarHBondContact O-CD2 3.49Å; P235-F239 PolarHBondContact O-N 3.1Å; F239-I241 PolarHBondContact O-N 2.84Å; F239-I241 VanDerWaalsContact O-N 3.08Å; F239-L242 HydrophobicContact CB-CD1 3.82Å; F239-L242 HydrophobicContact CB-CG 3.85Å; F239-L242 HydrophobicContact CD2-CD1 4.34Å; F239-L242 HydrophobicContact CG-CD1 4.39Å; F239-L242 WeakPolarHBondContact O-CB 3.46Å; F239-L242 PolarHBondContact O-N 2.91Å
240P95.5Very high95.5Very high73 Ų7349.2 Ų49.247%0.47427%0.266SS..G310 helixtrans-54.4-33.1-176.7-29.436.2000114.5L242 R243 Y244P240-L242 PolarHBondContact O-N 3.15Å; P240-R243 VanDerWaalsContact O-CB 3.23Å; P240-R243 WeakPolarHBondContact O-CB 3.28Å; P240-R243 VanDerWaalsContact O-CG 3.32Å; P240-R243 WeakPolarHBondContact O-CG 3.38Å; P240-R243 PolarHBondContact O-N 3.35Å; P240-Y244 VanDerWaalsContact O-CD2 3.25Å; P240-Y244 WeakPolarHBondContact O-CD2 3.37Å; P240-Y244 WeakPolarHBondContact O-CE2 3.2Å
241I95.4Very high95.6Very high114 Ų11454.5 Ų54.559%0.58529%0.291SS*.G310 helixtrans-58.6-33.8178.2-166.6164.5000112.8F239 R243 Y244 L245F239-I241 PolarHBondContact O-N 2.84Å; F239-I241 VanDerWaalsContact O-N 3.08Å; I241-R243 PolarHBondContact O-N 2.84Å; I241-R243 VanDerWaalsContact O-N 3.14Å; I241-Y244 PolarHBondContact O-N 3.16Å; I241-Y244 VanDerWaalsContact O-N 3.14Å; I241-L245 HydrophobicContact CG1-CD1 4.38Å; I241-L245 HydrophobicContact CG1-CG 4.46Å; I241-L245 PolarHBondContact O-N 2.92Å
242L95.5Very high95.8Very high54 Ų5458.8 Ų58.828%0.28331%0.305SS..G310 helixtrans-68.5-12.9179.7-61.3-177.1000113.3P235 F239 P240 Y244 L245P235-L242 HydrophobicContact CB-CD1 3.49Å; P235-L242 VanDerWaalsContact CB-CD1 3.49Å; F239-L242 HydrophobicContact CB-CD1 3.82Å; F239-L242 HydrophobicContact CB-CG 3.85Å; F239-L242 HydrophobicContact CD2-CD1 4.34Å; F239-L242 HydrophobicContact CG-CD1 4.39Å; F239-L242 WeakPolarHBondContact O-CB 3.46Å; F239-L242 PolarHBondContact O-N 2.91Å; P240-L242 PolarHBondContact O-N 3.15Å; L242-Y244 VanDerWaalsContact C-N 3.35Å; L242-L245 HydrophobicContact CD2-CD1 4.24Å
243R94.8Very high95.9Very high71 Ų7158.6 Ų58.627%0.26830%0.304SS..G310 helixtrans-77.5-24.2176.5-54.2174-173.3176.41.8112.2Y112 V236 D237 P240 I241Y112-R243 HydrophobicContact CD1-CG 3.75Å; Y112-R243 HydrophobicContact CE1-CB 4.01Å; Y112-R243 HydrophobicContact CE1-CG 3.71Å; Y112-R243 HydrophobicContact CG-CG 4.2Å; V236-R243 HydrophobicContact CG2-CG 3.81Å; V236-R243 PolarHBondContact O-NE 3.46Å; V236-R243 VanDerWaalsContact O-NE 3.07Å; D237-R243 PolarHBondContact O-NH2 3.3Å; D237-R243 VanDerWaalsContact O-NH2 3.09Å; P240-R243 VanDerWaalsContact O-CB 3.23Å; P240-R243 WeakPolarHBondContact O-CB 3.28Å; P240-R243 VanDerWaalsContact O-CG 3.32Å; P240-R243 WeakPolarHBondContact O-CG 3.38Å; P240-R243 PolarHBondContact O-N 3.35Å; I241-R243 PolarHBondContact O-N 2.84Å; I241-R243 VanDerWaalsContact O-N 3.14Å
244Y94.8Very high96.1Very high198 Ų19860.2 Ų60.278%0.77631%0.308SS*.THydrogen-bonded Turntrans-104.4-18.6-175.1-57.9-80.4000113.1P240 I241 L242P240-Y244 VanDerWaalsContact O-CD2 3.25Å; P240-Y244 WeakPolarHBondContact O-CD2 3.37Å; P240-Y244 WeakPolarHBondContact O-CE2 3.2Å; I241-Y244 PolarHBondContact O-N 3.16Å; I241-Y244 VanDerWaalsContact O-N 3.14Å; L242-Y244 VanDerWaalsContact C-N 3.35Å
245L95.8Very high96.2Very high91 Ų9161 Ų6148%0.47632%0.318SS..SBendtrans-77.2154.1174.7-63.4178000111.4I241 L242 N247I241-L245 HydrophobicContact CG1-CD1 4.38Å; I241-L245 HydrophobicContact CG1-CG 4.46Å; I241-L245 PolarHBondContact O-N 2.92Å; L242-L245 HydrophobicContact CD2-CD1 4.24Å; L245-N247 PolarHBondContact O-N 2.94Å
246P95.6Very high96.2Very high131 Ų13158.9 Ų58.985%0.85130%0.303SS*.  trans-55.8109.3171.7-25.335000111.4
247N96Very high96.2Very high40 Ų4059.2 Ų59.221%0.21431%0.305CS..  trans-128.995-176.9-175.1-23.1000110.2L245 A249 L250 Q251L245-N247 PolarHBondContact O-N 2.94Å; N247-A249 VanDerWaalsContact C-N 3.3Å; N247-A249 PolarHBondContact O-N 3.16Å; N247-A249 PolarHBondContact OD1-N 3.02Å; N247-L250 HydrophobicContact CB-CB 3.91Å; N247-L250 PolarHBondContact O-N 3.37Å; N247-L250 PolarHBondContact OD1-N 3Å; N247-Q251 WeakPolarHBondContact O-CG 3.26Å; N247-Q251 PolarHBondContact O-N 3.33Å
248P95.9Very high96.2Very high83 Ų8363.5 Ų63.554%0.53932%0.324SS..Hα-helixtrans-60-36.2-177.5-25.935000113.8Q251 R252P248-Q251 PolarHBondContact O-N 2.9Å; P248-R252 WeakPolarHBondContact O-CG 3.29Å; P248-R252 PolarHBondContact O-N 3.41Å
249A94.8Very high96.1Very high20 Ų2067 Ų6717%0.16534%0.337CS..Hα-helixtrans-65.6-44.8178.600000111.2N247 Q251 R252 F253N247-A249 VanDerWaalsContact C-N 3.3Å; N247-A249 PolarHBondContact O-N 3.16Å; N247-A249 PolarHBondContact OD1-N 3.02Å; A249-Q251 VanDerWaalsContact C-N 3.33Å; A249-Q251 PolarHBondContact O-N 3.5Å; A249-R252 PolarHBondContact O-N 2.6Å; A249-F253 WeakPolarHBondContact O-CB 3.25Å; A249-F253 PolarHBondContact O-N 2.66Å
250L96.1Very high96Very high4 Ų466.3 Ų66.32%0.02133%0.334CS..Hα-helixtrans-62.6-38.8174.5-179.965.9000112Y112 V236 N247 F253 K254Y112-L250 HydrophobicContact CE1-CD1 4.14Å; Y112-L250 HydrophobicContact CE1-CD2 4.04Å; V236-L250 HydrophobicContact CG2-CD1 4.3Å; V236-L250 HydrophobicContact CG2-CD2 4.02Å; N247-L250 HydrophobicContact CB-CB 3.91Å; N247-L250 PolarHBondContact O-N 3.37Å; N247-L250 PolarHBondContact OD1-N 3Å; L250-F253 PolarHBondContact O-N 2.91Å; L250-K254 HydrophobicContact CG-CD 4.36Å; L250-K254 WeakPolarHBondContact O-CG 3.46Å; L250-K254 PolarHBondContact O-N 3.23Å
251Q97.1Very high95.9Very high112 Ų11265.2 Ų65.252%0.52332%0.321SS..Hα-helixtrans-67-43.9177.5-65.7-60-16.300111.9N247 P248 A249 F253 K254 A255N247-Q251 WeakPolarHBondContact O-CG 3.26Å; N247-Q251 PolarHBondContact O-N 3.33Å; P248-Q251 PolarHBondContact O-N 2.9Å; A249-Q251 VanDerWaalsContact C-N 3.33Å; A249-Q251 PolarHBondContact O-N 3.5Å; Q251-F253 VanDerWaalsContact C-N 3.32Å; Q251-F253 PolarHBondContact O-N 3.17Å; Q251-K254 PolarHBondContact O-N 3.46Å; Q251-A255 WeakPolarHBondContact O-CB 3.46Å; Q251-A255 PolarHBondContact O-N 3.08Å
252R97.4Very high95.8Very high99 Ų9964 Ų6437%0.37431%0.313SS..Hα-helixtrans-58.8-44.5172.1-73.3-170-60.2-92.93.7111.3E225 P248 A249 K254 A255 F256E225-R252 HydrophobicContact CB-CB 4.37Å; E225-R252 HydrophobicContact CG-CB 4.15Å; P248-R252 WeakPolarHBondContact O-CG 3.29Å; P248-R252 PolarHBondContact O-N 3.41Å; A249-R252 PolarHBondContact O-N 2.6Å; R252-K254 PolarHBondContact O-N 3.34Å; R252-A255 PolarHBondContact O-N 3.4Å; R252-F256 VanDerWaalsContact O-CB 3.28Å; R252-F256 WeakPolarHBondContact O-CB 3.48Å; R252-F256 PolarHBondContact O-N 3.03Å
253F97.4Very high95.7Very high0 Ų061.6 Ų61.60%030%0.3CS..Hα-helixtrans-59.6-45176.6179.6-106000112.8S113 F116 I117 E225 F226 S229 A230 A249 L250 Q251 F256 N257S113-F253 VanDerWaalsContact O-CE1 3.32Å; S113-F253 WeakPolarHBondContact O-CE1 3.22Å; F116-F253 HydrophobicContact CB-CE1 4.02Å; F116-F253 HydrophobicContact CD2-CE1 4.49Å; I117-F253 HydrophobicContact CD1-CZ 4.13Å; I117-F253 HydrophobicContact CG1-CZ 3.82Å; E225-F253 WeakPolarHBondContact O-CD2 3.44Å; F226-F253 HydrophobicContact CD2-CD2 4.43Å; F226-F253 AromaticContact CD2-CE2 3.69Å; F226-F253 HydrophobicContact CD2-CE2 3.69Å; F226-F253 HydrophobicContact CD2-CZ 4.48Å; F226-F253 HydrophobicContact CE2-CE2 4.07Å; F226-F253 HydrophobicContact CE2-CZ 4.47Å; F226-F253 HydrophobicContact CG-CE2 4.27Å; F226-F253 WeakPolarHBondContact O-CE2 3.26Å; S229-F253 VanDerWaalsContact CB-CD2 3.4Å; S229-F253 VanDerWaalsContact CB-CG 3.47Å; A230-F253 HydrophobicContact CB-CE2 4.14Å; A230-F253 HydrophobicContact CB-CZ 4.47Å; A249-F253 WeakPolarHBondContact O-CB 3.25Å; A249-F253 PolarHBondContact O-N 2.66Å; L250-F253 PolarHBondContact O-N 2.91Å; Q251-F253 VanDerWaalsContact C-N 3.32Å; Q251-F253 PolarHBondContact O-N 3.17Å; F253-F256 PolarHBondContact O-N 3.39Å; F253-N257 WeakPolarHBondContact CD2-ND2 3.25Å; F253-N257 VanDerWaalsContact CE2-ND2 3.27Å; F253-N257 WeakPolarHBondContact CE2-ND2 3.38Å; F253-N257 VanDerWaalsContact CZ-ND2 3.29Å; F253-N257 WeakPolarHBondContact CZ-ND2 3.43Å; F253-N257 PolarHBondContact O-N 2.84Å; F253-N257 PolarHBondContact O-ND2 3.14Å
254K97.3Very high95.5Very high47 Ų4758.3 Ų58.320%0.20429%0.287CS..Hα-helixtrans-62.9-48.1175.8-73.2174.9-179.9-176.60111.4Y112 F116 L250 Q251 R252 F256 N257 Q258Y112-K254 PolarHBondContact OH-NZ 3.37Å; F116-K254 HydrophobicContact CD1-CD 4.42Å; F116-K254 HydrophobicContact CD1-CG 3.96Å; F116-K254 HydrophobicContact CD2-CG 4.46Å; F116-K254 HydrophobicContact CE1-CD 4.17Å; F116-K254 HydrophobicContact CE1-CG 4.21Å; F116-K254 HydrophobicContact CG-CG 4.12Å; F116-K254 HydrophobicContact CZ-CD 4.39Å; L250-K254 HydrophobicContact CG-CD 4.36Å; L250-K254 WeakPolarHBondContact O-CG 3.46Å; L250-K254 PolarHBondContact O-N 3.23Å; Q251-K254 PolarHBondContact O-N 3.46Å; R252-K254 PolarHBondContact O-N 3.34Å; K254-F256 VanDerWaalsContact C-N 3.34Å; K254-F256 PolarHBondContact O-N 2.89Å; K254-N257 PolarHBondContact O-N 2.61Å; K254-Q258 WeakPolarHBondContact O-CB 3.42Å; K254-Q258 PolarHBondContact O-N 2.63Å
255A97.2Very high95.4Very high41 Ų4152.7 Ų52.734%0.33927%0.268SS..Hα-helixtrans-62.8-39.5178.700000112.1Q251 R252 R259Q251-A255 WeakPolarHBondContact O-CB 3.46Å; Q251-A255 PolarHBondContact O-N 3.08Å; R252-A255 PolarHBondContact O-N 3.4Å; A255-R259 WeakPolarHBondContact O-CB 3.4Å; A255-R259 VanDerWaalsContact O-CG 3.3Å; A255-R259 WeakPolarHBondContact O-CG 3.28Å; A255-R259 PolarHBondContact O-N 3.36Å; A255-R259 PolarHBondContact O-NE 3.14Å
256F97.1Very high95.2Very high6 Ų653.6 Ų53.63%0.02627%0.269CS..Hα-helixtrans-59.3-54.4173.2-179.6-85.4000111.1L219 E225 F226 R252 F253 K254 Q258 R259 F260L219-F256 HydrophobicContact CD2-CE2 4.32Å; L219-F256 WeakPolarHBondContact O-CE2 3.42Å; E225-F256 HydrophobicContact CB-CB 4.11Å; E225-F256 HydrophobicContact CB-CD2 4.16Å; E225-F256 HydrophobicContact CB-CG 4.31Å; F226-F256 HydrophobicContact CB-CD1 3.78Å; F226-F256 HydrophobicContact CB-CE1 3.61Å; F226-F256 HydrophobicContact CB-CG 4.46Å; F226-F256 HydrophobicContact CB-CZ 4.14Å; F226-F256 HydrophobicContact CD2-CD1 4.09Å; F226-F256 AromaticContact CD2-CE1 4Å; F226-F256 HydrophobicContact CD2-CE1 4Å; F226-F256 HydrophobicContact CG-CD1 4.39Å; F226-F256 HydrophobicContact CG-CE1 4.1Å; R252-F256 VanDerWaalsContact O-CB 3.28Å; R252-F256 WeakPolarHBondContact O-CB 3.48Å; R252-F256 PolarHBondContact O-N 3.03Å; F253-F256 PolarHBondContact O-N 3.39Å; K254-F256 VanDerWaalsContact C-N 3.34Å; K254-F256 PolarHBondContact O-N 2.89Å; F256-Q258 VanDerWaalsContact C-N 3.28Å; F256-Q258 PolarHBondContact O-N 2.97Å; F256-R259 PolarHBondContact O-N 3.36Å; F256-F260 HydrophobicContact CD1-CB 4.47Å; F256-F260 HydrophobicContact CE1-CB 4.17Å; F256-F260 HydrophobicContact CE1-CD2 4.42Å; F256-F260 HydrophobicContact CE1-CG 4.3Å; F256-F260 HydrophobicContact CZ-CD2 4.38Å; F256-F260 VanDerWaalsContact O-CB 3.24Å; F256-F260 WeakPolarHBondContact O-CB 3.49Å; F256-F260 PolarHBondContact O-N 2.76Å
257N97.1Very high95Very high8 Ų847.5 Ų47.54%0.04323%0.229CC..Hα-helixtrans-62-36.4-178.4-80.6-82.7000112.3F116 F253 K254 R261F116-N257 WeakPolarHBondContact O-CB 3.41Å; F253-N257 WeakPolarHBondContact CD2-ND2 3.25Å; F253-N257 VanDerWaalsContact CE2-ND2 3.27Å; F253-N257 WeakPolarHBondContact CE2-ND2 3.38Å; F253-N257 VanDerWaalsContact CZ-ND2 3.29Å; F253-N257 WeakPolarHBondContact CZ-ND2 3.43Å; F253-N257 PolarHBondContact O-N 2.84Å; F253-N257 PolarHBondContact O-ND2 3.14Å; K254-N257 PolarHBondContact O-N 2.61Å; N257-R261 VanDerWaalsContact O-CB 3.28Å; N257-R261 WeakPolarHBondContact O-CB 3.29Å; N257-R261 PolarHBondContact O-N 3.14Å
258Q96.1Very high94.8Very high102 Ų10246.1 Ų46.148%0.47722%0.222SC..Hα-helixtrans-64.4-51175.2-177.9176.5-5.800111.8K254 F256 R261 Q262K254-Q258 WeakPolarHBondContact O-CB 3.42Å; K254-Q258 PolarHBondContact O-N 2.63Å; F256-Q258 VanDerWaalsContact C-N 3.28Å; F256-Q258 PolarHBondContact O-N 2.97Å; Q258-R261 PolarHBondContact O-N 3.22Å; Q258-Q262 WeakPolarHBondContact O-CB 3.25Å; Q258-Q262 VanDerWaalsContact O-CG 3.28Å; Q258-Q262 WeakPolarHBondContact O-CG 3.42Å; Q258-Q262 PolarHBondContact O-N 2.85Å
259R95.3Very high94.5Very high81 Ų8147.3 Ų47.331%0.30622%0.22SC..Hα-helixtrans-61.2-45.3177.8-70.9-179.3-66.1170.2-0.7111.4L219 E225 A255 F256 R261 Q262 F263L219-R259 HydrophobicContact CD2-CB 3.79Å; E225-R259 IonicContact OE2-NH2 3.83Å; E225-R259 PolarHBondContact OE2-NH2 2.97Å; A255-R259 WeakPolarHBondContact O-CB 3.4Å; A255-R259 VanDerWaalsContact O-CG 3.3Å; A255-R259 WeakPolarHBondContact O-CG 3.28Å; A255-R259 PolarHBondContact O-N 3.36Å; A255-R259 PolarHBondContact O-NE 3.14Å; F256-R259 PolarHBondContact O-N 3.36Å; R259-R261 VanDerWaalsContact C-N 3.35Å; R259-R261 PolarHBondContact O-N 3.3Å; R259-Q262 PolarHBondContact O-N 3.14Å; R259-F263 WeakPolarHBondContact O-CB 3.4Å; R259-F263 PolarHBondContact O-N 3.16Å
260F94.7Very high94.2Very high17 Ų1749.8 Ų49.88%0.07523%0.228CC..Hα-helixtrans-58.9-46178.2-173.5-106.3000111.5L219 F256 L264 N312 F315 F319L219-F260 HydrophobicContact CD2-CB 4.16Å; F256-F260 HydrophobicContact CD1-CB 4.47Å; F256-F260 HydrophobicContact CE1-CB 4.17Å; F256-F260 HydrophobicContact CE1-CD2 4.42Å; F256-F260 HydrophobicContact CE1-CG 4.3Å; F256-F260 HydrophobicContact CZ-CD2 4.38Å; F256-F260 VanDerWaalsContact O-CB 3.24Å; F256-F260 WeakPolarHBondContact O-CB 3.49Å; F256-F260 PolarHBondContact O-N 2.76Å; F260-L264 HydrophobicContact CD1-CD1 3.67Å; F260-L264 HydrophobicContact CD2-CD1 4.41Å; F260-L264 HydrophobicContact CE1-CD1 3.29Å; F260-L264 HydrophobicContact CE2-CD1 4.09Å; F260-L264 HydrophobicContact CG-CD1 4.23Å; F260-L264 HydrophobicContact CZ-CD1 3.53Å; F260-L264 VanDerWaalsContact O-CG 3.25Å; F260-L264 WeakPolarHBondContact O-CG 3.38Å; F260-L264 PolarHBondContact O-N 3.44Å; F260-L264 VanDerWaalsContact O-N 3.1Å; F260-N312 HydrophobicContact CE1-CB 4.34Å; F260-F315 AromaticContact CE2-CD1 3.62Å; F260-F315 HydrophobicContact CE2-CD1 3.62Å; F260-F315 AromaticContact CE2-CE1 3.84Å; F260-F315 HydrophobicContact CE2-CE1 3.84Å; F260-F315 AromaticContact CZ-CD1 3.73Å; F260-F315 HydrophobicContact CZ-CD1 3.73Å; F260-F315 HydrophobicContact CZ-CE1 4.42Å; F260-F319 AromaticContact CE2-CE1 3.95Å; F260-F319 HydrophobicContact CE2-CE1 3.95Å; F260-F319 HydrophobicContact CZ-CE1 4.45Å
261R92.9Very high93.9Very high51 Ų5150 Ų5019%0.19223%0.229CC..Hα-helixtrans-63-46175.7-179.4175.658.773.5-10.2111.9D119 N257 Q258 R259 L264 Q265D119-R261 IonicContact OD1-CZ 2.82Å; D119-R261 IonicContact OD1-NE 3.68Å; D119-R261 PolarHBondContact OD1-NE 3.02Å; D119-R261 IonicContact OD1-NH2 2.72Å; D119-R261 WeakPolarHBondContact OD2-CD 3.33Å; D119-R261 IonicContact OD2-CZ 3.43Å; D119-R261 IonicContact OD2-NE 2.94Å; D119-R261 PolarHBondContact OD2-NE 2.79Å; D119-R261 IonicContact OD2-NH2 3.85Å; N257-R261 VanDerWaalsContact O-CB 3.28Å; N257-R261 WeakPolarHBondContact O-CB 3.29Å; N257-R261 PolarHBondContact O-N 3.14Å; Q258-R261 PolarHBondContact O-N 3.22Å; R259-R261 VanDerWaalsContact C-N 3.35Å; R259-R261 PolarHBondContact O-N 3.3Å; R261-L264 PolarHBondContact O-N 3.44Å; R261-Q265 HydrophobicContact CG-CG 4.17Å; R261-Q265 VanDerWaalsContact O-CB 3.32Å; R261-Q265 WeakPolarHBondContact O-CB 3.23Å; R261-Q265 VanDerWaalsContact O-CG 3.25Å; R261-Q265 WeakPolarHBondContact O-CG 3.5Å; R261-Q265 PolarHBondContact O-N 3.28Å
262Q93.3Very high93.4Very high88 Ų8846.8 Ų46.841%0.41121%0.212SC..Hα-helixtrans-61.2-46.1-179.5-75.8172.2-20.700111.7Q258 R259 Q265 K266Q258-Q262 WeakPolarHBondContact O-CB 3.25Å; Q258-Q262 VanDerWaalsContact O-CG 3.28Å; Q258-Q262 WeakPolarHBondContact O-CG 3.42Å; Q258-Q262 PolarHBondContact O-N 2.85Å; R259-Q262 PolarHBondContact O-N 3.14Å; Q262-Q265 PolarHBondContact O-N 3.28Å; Q262-K266 WeakPolarHBondContact O-CB 3.5Å; Q262-K266 PolarHBondContact O-N 3.11Å
263F92.4Very high93Very high4 Ų448.8 Ų48.82%0.01823%0.226CC..Hα-helixtrans-55.3-53.2174.9171.9-102.1000111.3P210 E215 M216 L219 R259 Q265 K266 T267 F315P210-F263 HydrophobicContact CG-CE2 3.69Å; P210-F263 HydrophobicContact CG-CZ 3.8Å; E215-F263 HydrophobicContact CG-CD2 4.16Å; M216-F263 HydrophobicContact CB-CE2 3.87Å; M216-F263 HydrophobicContact CB-CZ 3.83Å; M216-F263 HydrophobicContact CG-CZ 3.96Å; L219-F263 HydrophobicContact CD1-CB 3.52Å; L219-F263 HydrophobicContact CD1-CD1 3.92Å; L219-F263 HydrophobicContact CD1-CD2 4.28Å; L219-F263 HydrophobicContact CD1-CG 3.64Å; R259-F263 WeakPolarHBondContact O-CB 3.4Å; R259-F263 PolarHBondContact O-N 3.16Å; F263-Q265 PolarHBondContact O-N 3.46Å; F263-K266 WeakPolarHBondContact O-CB 3.34Å; F263-K266 PolarHBondContact O-N 2.99Å; F263-T267 PolarHBondContact O-N 3.25Å; F263-T267 PolarHBondContact O-OG1 3.01Å; F263-T267 VanDerWaalsContact O-OG1 3.14Å; F263-F315 HydrophobicContact CE1-CE1 4.4Å
264L91.3Very high92.3Very high1 Ų154.3 Ų54.31%0.00526%0.255CS..Hα-helixtrans-66.6-38.3-178.2-64.6172.6000112.6F205 F260 R261 K266 T267 V268 N312 F315F205-L264 HydrophobicContact CE1-CD2 4.37Å; F205-L264 HydrophobicContact CE2-CD2 4.05Å; F205-L264 HydrophobicContact CZ-CD2 3.47Å; F205-L264 VanDerWaalsContact CZ-CD2 3.47Å; F260-L264 HydrophobicContact CD1-CD1 3.67Å; F260-L264 HydrophobicContact CD2-CD1 4.41Å; F260-L264 HydrophobicContact CE1-CD1 3.29Å; F260-L264 HydrophobicContact CE2-CD1 4.09Å; F260-L264 HydrophobicContact CG-CD1 4.23Å; F260-L264 HydrophobicContact CZ-CD1 3.53Å; F260-L264 VanDerWaalsContact O-CG 3.25Å; F260-L264 WeakPolarHBondContact O-CG 3.38Å; F260-L264 PolarHBondContact O-N 3.44Å; F260-L264 VanDerWaalsContact O-N 3.1Å; R261-L264 PolarHBondContact O-N 3.44Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.44Å; L264-T267 PolarHBondContact O-N 3.29Å; L264-V268 VanDerWaalsContact O-CB 3.32Å; L264-V268 WeakPolarHBondContact O-CB 3.42Å; L264-V268 WeakPolarHBondContact O-CG2 3.42Å; L264-V268 PolarHBondContact O-N 3.03Å; L264-N312 HydrophobicContact CD1-CB 3.76Å; L264-N312 WeakPolarHBondContact CD1-OD1 3.4Å; L264-F315 HydrophobicContact CD2-CD1 3.85Å; L264-F315 HydrophobicContact CD2-CE1 4.38Å; L264-F315 HydrophobicContact CD2-CG 4.29Å
265Q91.6Very high91.8Very high80 Ų8054.4 Ų54.437%0.37426%0.256SS..Hα-helixtrans-61.6-41.7174.8-78.5175.5-2500111.6R261 Q262 F263 Q269R261-Q265 HydrophobicContact CG-CG 4.17Å; R261-Q265 VanDerWaalsContact O-CB 3.32Å; R261-Q265 WeakPolarHBondContact O-CB 3.23Å; R261-Q265 VanDerWaalsContact O-CG 3.25Å; R261-Q265 WeakPolarHBondContact O-CG 3.5Å; R261-Q265 PolarHBondContact O-N 3.28Å; Q262-Q265 PolarHBondContact O-N 3.28Å; F263-Q265 PolarHBondContact O-N 3.46Å; Q265-Q269 VanDerWaalsContact O-CB 3.25Å; Q265-Q269 WeakPolarHBondContact O-CB 3.36Å; Q265-Q269 PolarHBondContact O-N 2.91Å
266K92.1Very high91.3Very high111 Ų11156 Ų5648%0.48326%0.259SS..Hα-helixtrans-62.1-51.4175.5-179.2-175170.8-171.50111Q262 F263 L264 V268 Q269 E270Q262-K266 WeakPolarHBondContact O-CB 3.5Å; Q262-K266 PolarHBondContact O-N 3.11Å; F263-K266 WeakPolarHBondContact O-CB 3.34Å; F263-K266 PolarHBondContact O-N 2.99Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.44Å; K266-V268 VanDerWaalsContact C-N 3.34Å; K266-V268 PolarHBondContact O-N 2.76Å; K266-Q269 WeakPolarHBondContact O-CB 3.3Å; K266-Q269 PolarHBondContact O-N 2.97Å; K266-Q269 VanDerWaalsContact O-N 3.1Å; K266-E270 WeakPolarHBondContact CE-OE1 3.48Å; K266-E270 WeakPolarHBondContact O-CG 3.49Å; K266-E270 PolarHBondContact O-N 3.2Å
267T91.6Very high90.7Very high3 Ų362.3 Ų62.32%0.01829%0.286CS..Hα-helixtrans-61.4-41.4-180-550000112.3F205 F263 L264 Q269 E270 H271F205-T267 HydrophobicContact CB-CG2 3.91Å; F205-T267 HydrophobicContact CD1-CG2 3.5Å; F205-T267 HydrophobicContact CD2-CG2 4.24Å; F205-T267 HydrophobicContact CE1-CG2 4.08Å; F205-T267 HydrophobicContact CG-CG2 3.6Å; F263-T267 PolarHBondContact O-N 3.25Å; F263-T267 PolarHBondContact O-OG1 3.01Å; F263-T267 VanDerWaalsContact O-OG1 3.14Å; L264-T267 PolarHBondContact O-N 3.29Å; T267-Q269 VanDerWaalsContact C-N 3.34Å; T267-E270 PolarHBondContact O-N 2.98Å; T267-H271 WeakPolarHBondContact O-CB 3.39Å; T267-H271 PolarHBondContact O-N 3.08Å
268V91.2Very high90.2Very high10 Ų1068.2 Ų68.26%0.06132%0.318CS..Hα-helixtrans-64.9-39174.9167.90000111.5F205 L264 K266 H271 Y272 T284 V308 V311F205-V268 HydrophobicContact CE1-CG2 4.18Å; L264-V268 VanDerWaalsContact O-CB 3.32Å; L264-V268 WeakPolarHBondContact O-CB 3.42Å; L264-V268 WeakPolarHBondContact O-CG2 3.42Å; L264-V268 PolarHBondContact O-N 3.03Å; K266-V268 VanDerWaalsContact C-N 3.34Å; K266-V268 PolarHBondContact O-N 2.76Å; V268-H271 WeakPolarHBondContact O-CB 3.49Å; V268-H271 PolarHBondContact O-N 3.33Å; V268-Y272 HydrophobicContact CG1-CD1 4.34Å; V268-Y272 HydrophobicContact CG1-CD2 4.38Å; V268-Y272 HydrophobicContact CG1-CE1 3.75Å; V268-Y272 HydrophobicContact CG1-CE2 3.78Å; V268-Y272 VanDerWaalsContact CG1-CZ 3.43Å; V268-Y272 VanDerWaalsContact O-CD1 3.3Å; V268-Y272 WeakPolarHBondContact O-CD1 2.96Å; V268-Y272 VanDerWaalsContact O-CG 3.28Å; V268-Y272 PolarHBondContact O-N 3.46Å; V268-T284 HydrophobicContact CG1-CG2 4.31Å; V268-T284 HydrophobicContact CG2-CG2 4.08Å; V268-V308 HydrophobicContact CG1-CG1 3.5Å; V268-V308 VanDerWaalsContact CG1-CG1 3.5Å; V268-V308 HydrophobicContact CG2-CG1 4.42Å; V268-V311 HydrophobicContact CG2-CG1 3.97Å
269Q90.3Very high89.8Confident108 Ų10866 Ų6651%0.50531%0.314SS..Hα-helixtrans-67.6-39.1179-17659.843.300111.9Q265 K266 T267 Y272Q265-Q269 VanDerWaalsContact O-CB 3.25Å; Q265-Q269 WeakPolarHBondContact O-CB 3.36Å; Q265-Q269 PolarHBondContact O-N 2.91Å; K266-Q269 WeakPolarHBondContact O-CB 3.3Å; K266-Q269 PolarHBondContact O-N 2.97Å; K266-Q269 VanDerWaalsContact O-N 3.1Å; T267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-Y272 PolarHBondContact O-N 3.03Å
270E89.5Confident89.6Confident72 Ų7264 Ų6434%0.33631%0.31SS..Hα-helixtrans-62.5-47.4172.5-71.5166.617900110.3K266 T267 Y272 Q273K266-E270 WeakPolarHBondContact CE-OE1 3.48Å; K266-E270 WeakPolarHBondContact O-CG 3.49Å; K266-E270 PolarHBondContact O-N 3.2Å; T267-E270 PolarHBondContact O-N 2.98Å; E270-Y272 PolarHBondContact O-N 3.13Å; E270-Y272 VanDerWaalsContact O-N 3.17Å; E270-Q273 WeakPolarHBondContact O-CB 3.4Å; E270-Q273 PolarHBondContact O-N 3.05Å
271H89.6Confident89.2Confident9 Ų968.6 Ų68.64%0.04233%0.332CS..Hα-helixtrans-54.2-37.5175.3-170.2-80000113.2H208 T267 V268 Q273 D274 F275 D282 T284 G285H208-H271 AromaticContact CE1-CD2 3.85Å; H208-H271 AromaticContact ND1-CD2 3.3Å; H208-H271 PolarHBondContact ND1-CD2 3.41Å; H208-H271 VanDerWaalsContact ND1-CD2 3.3Å; T267-H271 WeakPolarHBondContact O-CB 3.39Å; T267-H271 PolarHBondContact O-N 3.08Å; V268-H271 WeakPolarHBondContact O-CB 3.49Å; V268-H271 PolarHBondContact O-N 3.33Å; H271-Q273 VanDerWaalsContact C-N 3.31Å; H271-Q273 PolarHBondContact O-N 3.01Å; H271-D274 PolarHBondContact O-N 3.44Å; H271-F275 PolarHBondContact O-N 2.82Å; H271-D282 IonicContact CD2-OD1 3.71Å; H271-D282 IonicContact CD2-OD2 3.79Å; H271-D282 PolarHBondContact CD2-OD2 2.85Å; H271-D282 IonicContact CE1-OD1 2.74Å; H271-D282 PolarHBondContact CE1-OD1 3.01Å; H271-D282 IonicContact CE1-OD2 3.8Å; H271-D282 IonicContact NE2-OD1 3.05Å; H271-D282 PolarHBondContact NE2-OD1 3.48Å; H271-D282 IonicContact NE2-OD2 3.93Å; H271-D282 PolarHBondContact NE2-OD2 3.34Å; H271-T284 HydrophobicContact CB-CG2 4.16Å; H271-G285 VanDerWaalsContact CE1-CA 3.48Å; H271-G285 WeakPolarHBondContact CE1-CA 3.42Å; H271-G285 PolarHBondContact CE1-N 2.85Å; H271-G285 VanDerWaalsContact CE1-N 3.33Å
272Y86.2Confident89.3Confident44 Ų4466.3 Ų66.317%0.17332%0.324CS..Hα-helixtrans-70.3-24.5179.7-72.5-2.3000114.7V268 Q269 E270 D274 T284 F288 V308V268-Y272 HydrophobicContact CG1-CD1 4.34Å; V268-Y272 HydrophobicContact CG1-CD2 4.38Å; V268-Y272 HydrophobicContact CG1-CE1 3.75Å; V268-Y272 HydrophobicContact CG1-CE2 3.78Å; V268-Y272 VanDerWaalsContact CG1-CZ 3.43Å; V268-Y272 VanDerWaalsContact O-CD1 3.3Å; V268-Y272 WeakPolarHBondContact O-CD1 2.96Å; V268-Y272 VanDerWaalsContact O-CG 3.28Å; V268-Y272 PolarHBondContact O-N 3.46Å; Q269-Y272 PolarHBondContact O-N 3.03Å; E270-Y272 PolarHBondContact O-N 3.13Å; E270-Y272 VanDerWaalsContact O-N 3.17Å; Y272-D274 VanDerWaalsContact C-N 3.29Å; Y272-T284 HydrophobicContact CE1-CG2 4.2Å; Y272-F288 HydrophobicContact CD1-CB 4.45Å; Y272-F288 HydrophobicContact CD1-CD1 4.33Å; Y272-F288 AromaticContact CD1-CD2 3.89Å; Y272-F288 HydrophobicContact CD1-CD2 3.89Å; Y272-F288 HydrophobicContact CD1-CE2 4.08Å; Y272-F288 AromaticContact CD1-CG 3.99Å; Y272-F288 HydrophobicContact CD1-CG 3.99Å; Y272-F288 HydrophobicContact CD1-CZ 4.38Å; Y272-F288 HydrophobicContact CD2-CD2 4.35Å; Y272-F288 AromaticContact CD2-CE2 3.97Å; Y272-F288 HydrophobicContact CD2-CE2 3.97Å; Y272-F288 HydrophobicContact CE1-CB 3.7Å; Y272-F288 HydrophobicContact CE1-CD1 4.3Å; Y272-F288 AromaticContact CE1-CD2 3.3Å; Y272-F288 HydrophobicContact CE1-CD2 3.3Å; Y272-F288 AromaticContact CE1-CE2 3.88Å; Y272-F288 HydrophobicContact CE1-CE2 3.88Å; Y272-F288 AromaticContact CE1-CG 3.52Å; Y272-F288 HydrophobicContact CE1-CG 3.52Å; Y272-F288 AromaticContact CE2-CD2 3.84Å; Y272-F288 HydrophobicContact CE2-CD2 3.84Å; Y272-F288 AromaticContact CE2-CE2 3.77Å; Y272-F288 HydrophobicContact CE2-CE2 3.77Å; Y272-F288 HydrophobicContact CG-CD2 4.37Å; Y272-F288 HydrophobicContact CG-CE2 4.11Å; Y272-F288 HydrophobicContact CG-CZ 4.34Å; Y272-F288 AromaticContact CZ-CD2 3.26Å; Y272-F288 AromaticContact CZ-CE2 3.7Å; Y272-F288 AromaticContact CZ-CG 3.98Å; Y272-F288 WeakPolarHBondContact OH-CD2 3.41Å; Y272-V308 WeakPolarHBondContact OH-CG1 3.22Å; Y272-V308 WeakPolarHBondContact OH-CG2 3.35Å
273Q88.1Confident89.4Confident142 Ų14262.1 Ų62.166%0.66430%0.304SS*.Hα-helixtrans-67.8-36.3179.2-66.117613.100110.7E270 H271E270-Q273 WeakPolarHBondContact O-CB 3.4Å; E270-Q273 PolarHBondContact O-N 3.05Å; H271-Q273 VanDerWaalsContact C-N 3.31Å; H271-Q273 PolarHBondContact O-N 3.01Å
274D82.6Confident89.5Confident115 Ų11562.1 Ų62.162%0.61530%0.304SS*.THydrogen-bonded Turntrans-105.116.5-176-62.1-32000113.2H208 H271 Y272 D276H208-D274 IonicContact NE2-OD2 2.79Å; H271-D274 PolarHBondContact O-N 3.44Å; Y272-D274 VanDerWaalsContact C-N 3.29Å; D274-D276 PolarHBondContact O-N 3.27Å
275F88.1Confident89.6Confident49 Ų4962.1 Ų62.122%0.21531%0.305CS..  trans-72117.8-175.1176.2-97.1000113.1H271 K277 V280 G285 F288 K289H271-F275 PolarHBondContact O-N 2.82Å; F275-K277 HydrophobicContact CE1-CB 3.9Å; F275-K277 HydrophobicContact CZ-CB 4.29Å; F275-V280 HydrophobicContact CE2-CG2 4.32Å; F275-V280 HydrophobicContact CZ-CG2 4.49Å; F275-G285 WeakPolarHBondContact CE2-O 3.46Å; F275-F288 HydrophobicContact CB-CD1 4.32Å; F275-F288 HydrophobicContact CB-CE1 4.23Å; F275-F288 AromaticContact CD1-CD1 3.41Å; F275-F288 HydrophobicContact CD1-CD1 3.41Å; F275-F288 VanDerWaalsContact CD1-CD1 3.41Å; F275-F288 AromaticContact CD1-CE1 3.35Å; F275-F288 HydrophobicContact CD1-CE1 3.35Å; F275-F288 AromaticContact CD2-CD1 3.75Å; F275-F288 HydrophobicContact CD2-CD1 3.75Å; F275-F288 HydrophobicContact CD2-CE1 4.41Å; F275-F288 AromaticContact CE1-CD1 3.49Å; F275-F288 HydrophobicContact CE1-CD1 3.49Å; F275-F288 VanDerWaalsContact CE1-CD1 3.49Å; F275-F288 AromaticContact CE1-CE1 3.73Å; F275-F288 HydrophobicContact CE1-CE1 3.73Å; F275-F288 HydrophobicContact CE2-CB 4.49Å; F275-F288 AromaticContact CE2-CD1 3.84Å; F275-F288 HydrophobicContact CE2-CD1 3.84Å; F275-F288 AromaticContact CG-CD1 3.52Å; F275-F288 HydrophobicContact CG-CD1 3.52Å; F275-F288 AromaticContact CG-CE1 3.72Å; F275-F288 HydrophobicContact CG-CE1 3.72Å; F275-F288 AromaticContact CZ-CD1 3.71Å; F275-F288 HydrophobicContact CZ-CD1 3.71Å; F275-F288 HydrophobicContact CZ-CE1 4.41Å; F275-K289 HydrophobicContact CZ-CB 4.05Å
276D86.5Confident89.7Confident76 Ų7659.4 Ų59.441%0.40630%0.296SS..  trans-104.3119.9165.8-178.89.9000112D274 N278 S279D274-D276 PolarHBondContact O-N 3.27Å; D276-N278 PolarHBondContact O-N 3.5Å; D276-N278 VanDerWaalsContact O-N 3.12Å; D276-N278 WeakPolarHBondContact OD1-CB 3.48Å; D276-N278 PolarHBondContact OD1-N 3.46Å; D276-S279 CarbonylContact O-C 3.45Å; D276-S279 PolarHBondContact O-N 3.3Å; D276-S279 VanDerWaalsContact O-N 3.09Å
277K85.1Confident89.7Confident137 Ų13754.3 Ų54.360%0.59627%0.274SS*.THydrogen-bonded Turntrans-59.9-23.4176.870.5-177.4-179.5-175.80113.9F275 K289F275-K277 HydrophobicContact CE1-CB 3.9Å; F275-K277 HydrophobicContact CZ-CB 4.29Å; K277-K289 PolarHBondContact O-NZ 3.17Å
278N86.7Confident89.6Confident132 Ų13255 Ų5571%0.70628%0.277SS*.THydrogen-bonded Turntrans-90.7-18.4-179.2-60.7-34.8000112.5D276D276-N278 PolarHBondContact O-N 3.5Å; D276-N278 VanDerWaalsContact O-N 3.12Å; D276-N278 WeakPolarHBondContact OD1-CB 3.48Å; D276-N278 PolarHBondContact OD1-N 3.46Å
279S87.1Confident89.5Confident57 Ų5758.4 Ų58.440%0.39929%0.291SS..  trans-125.873.6-178.9-174.50000110.5D276 Q281D276-S279 CarbonylContact O-C 3.45Å; D276-S279 PolarHBondContact O-N 3.3Å; D276-S279 VanDerWaalsContact O-N 3.09Å; S279-Q281 PolarHBondContact OG-NE2 3.28Å; S279-Q281 VanDerWaalsContact OG-NE2 3.11Å
280V90.3Very high89.4Confident37 Ų3756.2 Ų56.222%0.22428%0.281CS..  trans-86.7116.6176.7-176.30000109.4F147 F275 A286 K289F147-V280 HydrophobicContact CZ-CG1 3.77Å; F275-V280 HydrophobicContact CE2-CG2 4.32Å; F275-V280 HydrophobicContact CZ-CG2 4.49Å; V280-A286 HydrophobicContact CG1-CB 3.9Å; V280-A286 VanDerWaalsContact CG1-N 3.29Å; V280-K289 HydrophobicContact CG2-CB 4.47Å; V280-K289 HydrophobicContact CG2-CD 3.62Å
281Q87.2Confident89.3Confident114 Ų11453.4 Ų53.453%0.53327%0.269SS..  trans-114-9.7-170.1-62.8179.9-9.600114.2F147 S279F147-Q281 VanDerWaalsContact CD1-O 3.29Å; F147-Q281 WeakPolarHBondContact CD1-O 3.39Å; F147-Q281 WeakPolarHBondContact CE1-O 3.28Å; S279-Q281 PolarHBondContact OG-NE2 3.28Å; S279-Q281 VanDerWaalsContact OG-NE2 3.11Å
282D94.2Very high89Confident4 Ų459.7 Ų59.72%0.02130%0.296CS..SBendtrans-151.6175-176.356.656.8000112.5F147 M203 H271 T284 G285 A286F147-D282 VanDerWaalsContact CE1-N 3.33Å; F147-D282 VanDerWaalsContact CE2-O 3.26Å; F147-D282 WeakPolarHBondContact CE2-O 3.24Å; F147-D282 WeakPolarHBondContact CZ-O 3.4Å; M203-D282 WeakPolarHBondContact O-CB 3.23Å; H271-D282 IonicContact CD2-OD1 3.71Å; H271-D282 IonicContact CD2-OD2 3.79Å; H271-D282 PolarHBondContact CD2-OD2 2.85Å; H271-D282 IonicContact CE1-OD1 2.74Å; H271-D282 PolarHBondContact CE1-OD1 3.01Å; H271-D282 IonicContact CE1-OD2 3.8Å; H271-D282 IonicContact NE2-OD1 3.05Å; H271-D282 PolarHBondContact NE2-OD1 3.48Å; H271-D282 IonicContact NE2-OD2 3.93Å; H271-D282 PolarHBondContact NE2-OD2 3.34Å; D282-T284 PolarHBondContact O-N 3.24Å; D282-T284 PolarHBondContact OD1-N 2.9Å; D282-T284 VanDerWaalsContact OD1-N 3.11Å; D282-G285 PolarHBondContact O-N 2.99Å; D282-G285 PolarHBondContact OD1-N 2.92Å; D282-A286 PolarHBondContact O-N 3.34Å; D282-A286 VanDerWaalsContact O-N 3.09Å
283I95.6Very high89Confident0 Ų065.1 Ų65.10%032%0.32CS..Hα-helixtrans-60.9-42.3-179.4-66.6169.3000111.4A143 L144 F147 M203 G285 A286 L287 I314A143-I283 HydrophobicContact CB-CB 4.49Å; A143-I283 HydrophobicContact CB-CG1 4.36Å; A143-I283 HydrophobicContact CB-CG2 3.98Å; L144-I283 HydrophobicContact CD1-CD1 3.88Å; F147-I283 HydrophobicContact CB-CG1 4.07Å; F147-I283 HydrophobicContact CD2-CG1 3.88Å; F147-I283 HydrophobicContact CG-CG1 4.34Å; M203-I283 HydrophobicContact CB-CD1 4.38Å; M203-I283 WeakPolarHBondContact O-CG1 3.4Å; M203-I283 PolarHBondContact O-N 3.21Å; I283-G285 PolarHBondContact O-N 2.84Å; I283-A286 PolarHBondContact O-N 3.34Å; I283-L287 HydrophobicContact CG2-CD1 3.78Å; I283-L287 HydrophobicContact CG2-CG 4.13Å; I283-L287 WeakPolarHBondContact O-CB 3.26Å; I283-L287 VanDerWaalsContact O-CG 3.26Å; I283-L287 WeakPolarHBondContact O-CG 3.38Å; I283-L287 PolarHBondContact O-N 3.22Å; I283-I314 HydrophobicContact CD1-CG2 4.09Å; I283-I314 HydrophobicContact CG2-CD1 3.87Å
284T94.6Very high88.6Confident3 Ų359.6 Ų59.62%0.01830%0.302CS..Hα-helixtrans-60.9-46.9-179.1-63.40000110.9C204 F205 V268 H271 Y272 D282 A286 L287 F288C204-T284 VanDerWaalsContact O-CB 3.28Å; C204-T284 WeakPolarHBondContact O-CB 3.28Å; C204-T284 PolarHBondContact O-N 2.7Å; C204-T284 VanDerWaalsContact O-N 3.09Å; C204-T284 PolarHBondContact O-OG1 3.21Å; F205-T284 WeakPolarHBondContact CD1-OG1 3.41Å; V268-T284 HydrophobicContact CG1-CG2 4.31Å; V268-T284 HydrophobicContact CG2-CG2 4.08Å; H271-T284 HydrophobicContact CB-CG2 4.16Å; Y272-T284 HydrophobicContact CE1-CG2 4.2Å; D282-T284 PolarHBondContact O-N 3.24Å; D282-T284 PolarHBondContact OD1-N 2.9Å; D282-T284 VanDerWaalsContact OD1-N 3.11Å; T284-A286 VanDerWaalsContact C-N 3.32Å; T284-A286 PolarHBondContact O-N 2.95Å; T284-L287 PolarHBondContact O-N 3.46Å; T284-F288 WeakPolarHBondContact O-CB 3.15Å; T284-F288 PolarHBondContact O-N 2.81Å
285G93.4Very high88.5Confident1 Ų154.9 Ų54.91%0.0128%0.278CS..Hα-helixtrans-61.4-39.117600000112.7H271 F275 D282 I283 F288 K289H271-G285 VanDerWaalsContact CE1-CA 3.48Å; H271-G285 WeakPolarHBondContact CE1-CA 3.42Å; H271-G285 PolarHBondContact CE1-N 2.85Å; H271-G285 VanDerWaalsContact CE1-N 3.33Å; F275-G285 WeakPolarHBondContact CE2-O 3.46Å; D282-G285 PolarHBondContact O-N 2.99Å; D282-G285 PolarHBondContact OD1-N 2.92Å; I283-G285 PolarHBondContact O-N 2.84Å; G285-F288 PolarHBondContact O-N 3.34Å; G285-K289 WeakPolarHBondContact O-CB 3.22Å; G285-K289 PolarHBondContact O-N 2.9Å
286A93.2Very high88.2Confident24 Ų2460.7 Ų60.720%0.19830%0.298CS..Hα-helixtrans-68.5-41.5177.800000112.7A143 F147 V280 D282 I283 T284 F288 H290A143-A286 HydrophobicContact CB-CB 4.48Å; F147-A286 HydrophobicContact CE2-CB 3.52Å; F147-A286 HydrophobicContact CZ-CB 4.11Å; V280-A286 HydrophobicContact CG1-CB 3.9Å; V280-A286 VanDerWaalsContact CG1-N 3.29Å; D282-A286 PolarHBondContact O-N 3.34Å; D282-A286 VanDerWaalsContact O-N 3.09Å; I283-A286 PolarHBondContact O-N 3.34Å; T284-A286 VanDerWaalsContact C-N 3.32Å; T284-A286 PolarHBondContact O-N 2.95Å; A286-F288 VanDerWaalsContact C-N 3.34Å; A286-H290 WeakPolarHBondContact O-CB 3.36Å; A286-H290 PolarHBondContact O-N 3.17Å
287L92.6Very high88Confident3 Ų357.6 Ų57.62%0.01628%0.283CS..Hα-helixtrans-63.4-41.7174.4-69.4176.6000111.2L139 A143 I283 T284 H290 S291 I307 L310 V311L139-L287 HydrophobicContact CB-CD2 4.36Å; A143-L287 HydrophobicContact CB-CD2 4.43Å; I283-L287 HydrophobicContact CG2-CD1 3.78Å; I283-L287 HydrophobicContact CG2-CG 4.13Å; I283-L287 WeakPolarHBondContact O-CB 3.26Å; I283-L287 VanDerWaalsContact O-CG 3.26Å; I283-L287 WeakPolarHBondContact O-CG 3.38Å; I283-L287 PolarHBondContact O-N 3.22Å; T284-L287 PolarHBondContact O-N 3.46Å; L287-H290 PolarHBondContact O-N 3.29Å; L287-S291 WeakPolarHBondContact O-CB 3.47Å; L287-S291 PolarHBondContact O-N 3.46Å; L287-I307 HydrophobicContact CB-CG2 4.28Å; L287-I307 HydrophobicContact CD2-CG2 4.24Å; L287-L310 HydrophobicContact CD1-CB 3.86Å; L287-L310 HydrophobicContact CD2-CB 4.39Å; L287-L310 HydrophobicContact CD2-CD1 3.86Å; L287-V311 HydrophobicContact CD1-CB 4.41Å
288F89.8Confident87.5Confident18 Ų1855.7 Ų55.78%0.07929%0.287CS..Hα-helixtrans-64.9-48.1176.5-174.1-116.1000112.3Y272 F275 T284 G285 A286 H290 S291 K292Y272-F288 HydrophobicContact CD1-CB 4.45Å; Y272-F288 HydrophobicContact CD1-CD1 4.33Å; Y272-F288 AromaticContact CD1-CD2 3.89Å; Y272-F288 HydrophobicContact CD1-CD2 3.89Å; Y272-F288 HydrophobicContact CD1-CE2 4.08Å; Y272-F288 AromaticContact CD1-CG 3.99Å; Y272-F288 HydrophobicContact CD1-CG 3.99Å; Y272-F288 HydrophobicContact CD1-CZ 4.38Å; Y272-F288 HydrophobicContact CD2-CD2 4.35Å; Y272-F288 AromaticContact CD2-CE2 3.97Å; Y272-F288 HydrophobicContact CD2-CE2 3.97Å; Y272-F288 HydrophobicContact CE1-CB 3.7Å; Y272-F288 HydrophobicContact CE1-CD1 4.3Å; Y272-F288 AromaticContact CE1-CD2 3.3Å; Y272-F288 HydrophobicContact CE1-CD2 3.3Å; Y272-F288 AromaticContact CE1-CE2 3.88Å; Y272-F288 HydrophobicContact CE1-CE2 3.88Å; Y272-F288 AromaticContact CE1-CG 3.52Å; Y272-F288 HydrophobicContact CE1-CG 3.52Å; Y272-F288 AromaticContact CE2-CD2 3.84Å; Y272-F288 HydrophobicContact CE2-CD2 3.84Å; Y272-F288 AromaticContact CE2-CE2 3.77Å; Y272-F288 HydrophobicContact CE2-CE2 3.77Å; Y272-F288 HydrophobicContact CG-CD2 4.37Å; Y272-F288 HydrophobicContact CG-CE2 4.11Å; Y272-F288 HydrophobicContact CG-CZ 4.34Å; Y272-F288 AromaticContact CZ-CD2 3.26Å; Y272-F288 AromaticContact CZ-CE2 3.7Å; Y272-F288 AromaticContact CZ-CG 3.98Å; Y272-F288 WeakPolarHBondContact OH-CD2 3.41Å; F275-F288 HydrophobicContact CB-CD1 4.32Å; F275-F288 HydrophobicContact CB-CE1 4.23Å; F275-F288 AromaticContact CD1-CD1 3.41Å; F275-F288 HydrophobicContact CD1-CD1 3.41Å; F275-F288 VanDerWaalsContact CD1-CD1 3.41Å; F275-F288 AromaticContact CD1-CE1 3.35Å; F275-F288 HydrophobicContact CD1-CE1 3.35Å; F275-F288 AromaticContact CD2-CD1 3.75Å; F275-F288 HydrophobicContact CD2-CD1 3.75Å; F275-F288 HydrophobicContact CD2-CE1 4.41Å; F275-F288 AromaticContact CE1-CD1 3.49Å; F275-F288 HydrophobicContact CE1-CD1 3.49Å; F275-F288 VanDerWaalsContact CE1-CD1 3.49Å; F275-F288 AromaticContact CE1-CE1 3.73Å; F275-F288 HydrophobicContact CE1-CE1 3.73Å; F275-F288 HydrophobicContact CE2-CB 4.49Å; F275-F288 AromaticContact CE2-CD1 3.84Å; F275-F288 HydrophobicContact CE2-CD1 3.84Å; F275-F288 AromaticContact CG-CD1 3.52Å; F275-F288 HydrophobicContact CG-CD1 3.52Å; F275-F288 AromaticContact CG-CE1 3.72Å; F275-F288 HydrophobicContact CG-CE1 3.72Å; F275-F288 AromaticContact CZ-CD1 3.71Å; F275-F288 HydrophobicContact CZ-CD1 3.71Å; F275-F288 HydrophobicContact CZ-CE1 4.41Å; T284-F288 WeakPolarHBondContact O-CB 3.15Å; T284-F288 PolarHBondContact O-N 2.81Å; G285-F288 PolarHBondContact O-N 3.34Å; A286-F288 VanDerWaalsContact C-N 3.34Å; F288-H290 PolarHBondContact O-N 2.86Å; F288-S291 WeakPolarHBondContact O-CB 3.41Å; F288-S291 PolarHBondContact O-N 3.32Å; F288-S291 VanDerWaalsContact O-N 3.09Å; F288-K292 HydrophobicContact CE1-CG 4.45Å; F288-K292 HydrophobicContact CZ-CD 4.47Å; F288-K292 HydrophobicContact CZ-CG 4.49Å; F288-K292 PolarHBondContact O-N 3.27Å
289K90.1Very high87Confident81 Ų8151.6 Ų51.635%0.35228%0.276SS..Hα-helixtrans-54.2-41.1173.2-177.6166.6-178.8164.50111.4F275 K277 V280 G285F275-K289 HydrophobicContact CZ-CB 4.05Å; K277-K289 PolarHBondContact O-NZ 3.17Å; V280-K289 HydrophobicContact CG2-CB 4.47Å; V280-K289 HydrophobicContact CG2-CD 3.62Å; G285-K289 WeakPolarHBondContact O-CB 3.22Å; G285-K289 PolarHBondContact O-N 2.9Å
290H87.6Confident86.6Confident63 Ų6354.7 Ų54.729%0.29229%0.288SS..Hα-helixtrans-69.7-42.9178-162.581.7000111.9L139 A286 L287 F288 K292 K293 P295L139-H290 WeakPolarHBondContact CD1-CD2 3.36Å; L139-H290 WeakPolarHBondContact CD2-CD2 3.33Å; L139-H290 VanDerWaalsContact CD2-CE1 3.4Å; L139-H290 WeakPolarHBondContact CD2-CE1 3.37Å; L139-H290 WeakPolarHBondContact CD2-NE2 3.48Å; A286-H290 WeakPolarHBondContact O-CB 3.36Å; A286-H290 PolarHBondContact O-N 3.17Å; L287-H290 PolarHBondContact O-N 3.29Å; F288-H290 PolarHBondContact O-N 2.86Å; H290-K292 VanDerWaalsContact C-N 3.28Å; H290-K292 PolarHBondContact O-N 3.18Å; H290-K293 WeakPolarHBondContact O-CB 3.47Å; H290-K293 PolarHBondContact O-N 3.35Å; H290-P295 WeakPolarHBondContact NE2-CB 3.23Å; H290-P295 WeakPolarHBondContact O-CD 3.25Å
291S86.6Confident86.4Confident13 Ų1358.1 Ų58.19%0.09130%0.304CS..Hα-helixtrans-57.6-39.7176.4-173.80000112.6L287 F288 K293 G294 Q304L287-S291 WeakPolarHBondContact O-CB 3.47Å; L287-S291 PolarHBondContact O-N 3.46Å; F288-S291 WeakPolarHBondContact O-CB 3.41Å; F288-S291 PolarHBondContact O-N 3.32Å; F288-S291 VanDerWaalsContact O-N 3.09Å; S291-K293 PolarHBondContact O-N 2.55Å; S291-G294 PolarHBondContact O-N 3.15Å; S291-Q304 WeakPolarHBondContact OG-CA 3.28Å; S291-Q304 VanDerWaalsContact OG-CB 3.23Å; S291-Q304 WeakPolarHBondContact OG-CB 3.24Å; S291-Q304 WeakPolarHBondContact OG-CG 3.4Å
292K84.4Confident86.4Confident141 Ų14153.1 Ų53.161%0.61328%0.281SS*.Hα-helixtrans-64.5-22176.6-68.5-67.7-176-178.40113.7F288 H290 G294F288-K292 HydrophobicContact CE1-CG 4.45Å; F288-K292 HydrophobicContact CZ-CD 4.47Å; F288-K292 HydrophobicContact CZ-CG 4.49Å; F288-K292 PolarHBondContact O-N 3.27Å; H290-K292 VanDerWaalsContact C-N 3.28Å; H290-K292 PolarHBondContact O-N 3.18Å; K292-G294 VanDerWaalsContact C-N 3.27Å
293K84.9Confident86.1Confident157 Ų15756.3 Ų56.368%0.68330%0.303SS*.THydrogen-bonded Turntrans-80.6-5.5174.9-65.3-179178-173.20113.4H290 S291H290-K293 WeakPolarHBondContact O-CB 3.47Å; H290-K293 PolarHBondContact O-N 3.35Å; S291-K293 PolarHBondContact O-N 2.55Å
294G80.6Confident85.7Confident26 Ų2660.2 Ų60.227%0.26832%0.321SS..  trans63.764.2179.100000112.7S291 K292 L301S291-G294 PolarHBondContact O-N 3.15Å; K292-G294 VanDerWaalsContact C-N 3.27Å; G294-L301 WeakPolarHBondContact O-CD2 2.98Å
295P80.4Confident85.3Confident17 Ų1767 Ų6711%0.1135%0.352CS..  trans-66.1146.6-177.630.9-35.9000111.4H290 I302 I307H290-P295 WeakPolarHBondContact NE2-CB 3.23Å; H290-P295 WeakPolarHBondContact O-CD 3.25Å; P295-I302 HydrophobicContact CG-CB 4.39Å; P295-I302 PolarHBondContact O-N 3.2Å; P295-I307 HydrophobicContact CG-CD1 3.27Å; P295-I307 HydrophobicContact CG-CG1 4.25Å
296R82.3Confident84.9Confident171 Ų17169.5 Ų69.565%0.64536%0.363SS*.EExtended strand (participates in β ladder)trans-120.1143.9-174-63.1-178.9-180-139.78.6111.8G299 N300 L301R296-G299 PolarHBondContact NH1-O 2.91Å; R296-G299 VanDerWaalsContact NH1-O 3.17Å; R296-N300 CarbonylContact C-O 3.51Å; R296-N300 WeakPolarHBondContact CA-O 3.45Å; R296-N300 WeakPolarHBondContact CB-O 3.28Å; R296-L301 HydrophobicContact CG-CD2 3.95Å
297A80.9Confident84.7Confident10 Ų1068.3 Ų68.38%0.08335%0.353CS..EExtended strand (participates in β ladder)trans-126.1123.1167.500000108.1P131 V132 A135 G299 N300 I302P131-A297 HydrophobicContact CB-CB 4.25Å; V132-A297 HydrophobicContact CB-CB 4.43Å; V132-A297 HydrophobicContact CG2-CB 3.86Å; A135-A297 HydrophobicContact CB-CB 4.27Å; A297-G299 PolarHBondContact O-N 3Å; A297-N300 PolarHBondContact N-O 3.43Å; A297-N300 PolarHBondContact O-N 3.17Å; A297-N300 VanDerWaalsContact O-N 3.15Å; A297-I302 HydrophobicContact CB-CD1 4.07Å; A297-I302 HydrophobicContact CB-CG1 4.13Å
298S74.9Confident84.2Confident97 Ų9768.8 Ų68.868%0.67836%0.356SS*.THydrogen-bonded Turntrans5142.1-175.9-59.30000113.8P131 N300P131-S298 VanDerWaalsContact CB-OG 3.31Å; P131-S298 WeakPolarHBondContact CB-OG 3.1Å; P131-S298 VanDerWaalsContact CG-OG 3.28Å; P131-S298 WeakPolarHBondContact CG-OG 3.25Å; S298-N300 VanDerWaalsContact C-N 3.29Å; S298-N300 PolarHBondContact O-N 3.24Å
299G75.7Confident84.3Confident47 Ų4769 Ų6949%0.48536%0.358SS..THydrogen-bonded Turntrans86.7-20.8178.600000115.6R296 A297R296-G299 PolarHBondContact NH1-O 2.91Å; R296-G299 VanDerWaalsContact NH1-O 3.17Å; A297-G299 PolarHBondContact O-N 3Å
300N79.6Confident84.5Confident121 Ų12165.2 Ų65.265%0.64734%0.341SS*.EExtended strand (participates in β ladder)trans-93.6143.7-176.9-66.9-27.8000112.5R296 A297 S298R296-N300 CarbonylContact C-O 3.51Å; R296-N300 WeakPolarHBondContact CA-O 3.45Å; R296-N300 WeakPolarHBondContact CB-O 3.28Å; A297-N300 PolarHBondContact N-O 3.43Å; A297-N300 PolarHBondContact O-N 3.17Å; A297-N300 VanDerWaalsContact O-N 3.15Å; S298-N300 VanDerWaalsContact C-N 3.29Å; S298-N300 PolarHBondContact O-N 3.24Å
301L85.9Confident84.9Confident109 Ų10962.2 Ų62.257%0.57133%0.328SS*.EExtended strand (participates in β ladder)trans-65.7134.7174-72.4170.1000110.8G294 R296G294-L301 WeakPolarHBondContact O-CD2 2.98Å; R296-L301 HydrophobicContact CG-CD2 3.95Å
302I88Confident85.3Confident9 Ų961.9 Ų61.95%0.04633%0.325CS..PPolyproline II helixtrans-82126.7170.5-56.1174.6000107.6A135 P295 A297 Q304 K306 I307A135-I302 HydrophobicContact CB-CD1 3.68Å; P295-I302 HydrophobicContact CG-CB 4.39Å; P295-I302 PolarHBondContact O-N 3.2Å; A297-I302 HydrophobicContact CB-CD1 4.07Å; A297-I302 HydrophobicContact CB-CG1 4.13Å; I302-Q304 PolarHBondContact O-N 3.38Å; I302-K306 HydrophobicContact CG2-CB 4.15Å; I302-I307 HydrophobicContact CB-CD1 4.36Å; I302-I307 HydrophobicContact CB-CG1 4.43Å; I302-I307 HydrophobicContact CG2-CD1 4.3Å; I302-I307 HydrophobicContact CG2-CG1 3.87Å
303P87.9Confident85.9Confident72 Ų7255.8 Ų55.847%0.46830%0.299SS..PPolyproline II helixtrans-57.1139.1177.3-25.133.9000111.9E305 K306 I307P303-E305 VanDerWaalsContact C-N 3.27Å; P303-E305 PolarHBondContact O-N 3.2Å; P303-K306 HydrophobicContact CB-CG 4.39Å; P303-K306 PolarHBondContact O-N 2.94Å; P303-I307 PolarHBondContact O-N 2.98Å
304Q86Confident86.5Confident81 Ų8148.9 Ų48.938%0.37927%0.269SS..Hα-helixtrans-52.1-45.6-179.7169.4165.8-6.800112.1S291 I302 K306 I307 V308S291-Q304 WeakPolarHBondContact OG-CA 3.28Å; S291-Q304 VanDerWaalsContact OG-CB 3.23Å; S291-Q304 WeakPolarHBondContact OG-CB 3.24Å; S291-Q304 WeakPolarHBondContact OG-CG 3.4Å; I302-Q304 PolarHBondContact O-N 3.38Å; Q304-K306 PolarHBondContact O-N 3.05Å; Q304-I307 WeakPolarHBondContact O-CB 3.47Å; Q304-I307 PolarHBondContact O-N 3.24Å; Q304-V308 HydrophobicContact CG-CG2 3.86Å; Q304-V308 VanDerWaalsContact O-CG2 3.29Å; Q304-V308 WeakPolarHBondContact O-CG2 3.48Å; Q304-V308 PolarHBondContact O-N 3.24Å
305E85.8Confident87.3Confident147 Ų14747.7 Ų47.769%0.68726%0.257SS*.Hα-helixtrans-54.6-39179.2-64175.6-175.900112.5P303 I307 N309P303-E305 VanDerWaalsContact C-N 3.27Å; P303-E305 PolarHBondContact O-N 3.2Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 3.36Å; E305-N309 WeakPolarHBondContact O-CB 3.41Å; E305-N309 PolarHBondContact O-N 3.38Å; E305-N309 PolarHBondContact O-ND2 2.77Å
306K86.7Confident88.1Confident52 Ų5247.8 Ų47.823%0.22626%0.261CS..Hα-helixtrans-70-24.2178.5-65.1-160.9-172.8-151.20113.3R136 I302 P303 Q304R136-K306 VanDerWaalsContact CZ-O 3.24Å; R136-K306 PolarHBondContact NE-O 3.5Å; R136-K306 PolarHBondContact NH2-O 3.47Å; I302-K306 HydrophobicContact CG2-CB 4.15Å; P303-K306 HydrophobicContact CB-CG 4.39Å; P303-K306 PolarHBondContact O-N 2.94Å; Q304-K306 PolarHBondContact O-N 3.05Å
307I86.9Confident88.8Confident0 Ų042.3 Ų42.30%025%0.252CS..Hα-helixtrans-82.7-46.4178-59.3162.5000109.4L139 L287 P295 I302 P303 Q304 E305 L310L139-I307 HydrophobicContact CD1-CG2 4.33Å; L287-I307 HydrophobicContact CB-CG2 4.28Å; L287-I307 HydrophobicContact CD2-CG2 4.24Å; P295-I307 HydrophobicContact CG-CD1 3.27Å; P295-I307 HydrophobicContact CG-CG1 4.25Å; I302-I307 HydrophobicContact CB-CD1 4.36Å; I302-I307 HydrophobicContact CB-CG1 4.43Å; I302-I307 HydrophobicContact CG2-CD1 4.3Å; I302-I307 HydrophobicContact CG2-CG1 3.87Å; P303-I307 PolarHBondContact O-N 2.98Å; Q304-I307 WeakPolarHBondContact O-CB 3.47Å; Q304-I307 PolarHBondContact O-N 3.24Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 3.36Å; I307-L310 VanDerWaalsContact O-CB 3.23Å; I307-L310 WeakPolarHBondContact O-CB 3.31Å; I307-L310 WeakPolarHBondContact O-CD1 3.11Å; I307-L310 WeakPolarHBondContact O-CG 3.38Å; I307-L310 PolarHBondContact O-N 3.31Å
308V83.7Confident89.6Confident12 Ų1242.5 Ų42.57%0.07326%0.255CS..Hα-helixtrans-68.3-42.1-176.1173.80000111V268 Y272 Q304 L310 V311V268-V308 HydrophobicContact CG1-CG1 3.5Å; V268-V308 VanDerWaalsContact CG1-CG1 3.5Å; V268-V308 HydrophobicContact CG2-CG1 4.42Å; Y272-V308 WeakPolarHBondContact OH-CG1 3.22Å; Y272-V308 WeakPolarHBondContact OH-CG2 3.35Å; Q304-V308 HydrophobicContact CG-CG2 3.86Å; Q304-V308 VanDerWaalsContact O-CG2 3.29Å; Q304-V308 WeakPolarHBondContact O-CG2 3.48Å; Q304-V308 PolarHBondContact O-N 3.24Å; V308-L310 PolarHBondContact O-N 3.43Å; V308-V311 WeakPolarHBondContact O-CG1 3.25Å; V308-V311 PolarHBondContact O-N 3.3Å
309N90.6Very high90.6Very high24 Ų2438 Ų3813%0.12822%0.224CC..THydrogen-bonded Turntrans-66-3177.5-70.1-10.1000113.8T118 E305 V311 N312T118-N309 HydrophobicContact CG2-CB 3.77Å; E305-N309 WeakPolarHBondContact O-CB 3.41Å; E305-N309 PolarHBondContact O-N 3.38Å; E305-N309 PolarHBondContact O-ND2 2.77Å; N309-V311 PolarHBondContact O-N 3.37Å; N309-N312 VanDerWaalsContact O-CB 3.29Å; N309-N312 WeakPolarHBondContact O-CB 3.23Å; N309-N312 PolarHBondContact O-N 2.85Å; N309-N312 VanDerWaalsContact O-N 3.12Å
310L95.4Very high91.7Very high0 Ų036.3 Ų36.30%020%0.203CC..Hα-helixtrans-61.7-28.4170.6-65.5175.1000112.1M123 R136 L139 A140 L287 I307 V308 N312 D313 I314M123-L310 HydrophobicContact CB-CD2 3.66Å; M123-L310 HydrophobicContact CE-CD2 4.49Å; M123-L310 HydrophobicContact CG-CD2 4.02Å; M123-L310 HydrophobicContact SD-CD2 3.64Å; R136-L310 HydrophobicContact CB-CD1 4.4Å; R136-L310 HydrophobicContact CB-CD2 3.97Å; R136-L310 HydrophobicContact CG-CD2 4.44Å; R136-L310 WeakPolarHBondContact O-CD1 3.37Å; L139-L310 HydrophobicContact CB-CD1 4.06Å; A140-L310 HydrophobicContact CB-CD1 4.41Å; L287-L310 HydrophobicContact CD1-CB 3.86Å; L287-L310 HydrophobicContact CD2-CB 4.39Å; L287-L310 HydrophobicContact CD2-CD1 3.86Å; I307-L310 VanDerWaalsContact O-CB 3.23Å; I307-L310 WeakPolarHBondContact O-CB 3.31Å; I307-L310 WeakPolarHBondContact O-CD1 3.11Å; I307-L310 WeakPolarHBondContact O-CG 3.38Å; I307-L310 PolarHBondContact O-N 3.31Å; V308-L310 PolarHBondContact O-N 3.43Å; L310-N312 PolarHBondContact O-N 3.03Å; L310-D313 PolarHBondContact O-N 2.83Å; L310-I314 WeakPolarHBondContact O-CG1 3.47Å; L310-I314 PolarHBondContact O-N 2.94Å; L310-I314 VanDerWaalsContact O-N 3.13Å
311V95.4Very high92.6Very high1 Ų132.7 Ų32.71%0.00619%0.185CC..Hα-helixtrans-62.2-29.5175.2780000111.8C204 F205 V268 L287 V308 N309 I314 F315C204-V311 HydrophobicContact CB-CG2 3.68Å; F205-V311 HydrophobicContact CD1-CG2 4.45Å; F205-V311 HydrophobicContact CE1-CB 4.45Å; F205-V311 HydrophobicContact CE1-CG1 4.07Å; F205-V311 HydrophobicContact CE1-CG2 3.56Å; F205-V311 HydrophobicContact CE2-CG2 4.46Å; F205-V311 HydrophobicContact CZ-CG1 4.29Å; F205-V311 HydrophobicContact CZ-CG2 3.55Å; V268-V311 HydrophobicContact CG2-CG1 3.97Å; L287-V311 HydrophobicContact CD1-CB 4.41Å; V308-V311 WeakPolarHBondContact O-CG1 3.25Å; V308-V311 PolarHBondContact O-N 3.3Å; N309-V311 PolarHBondContact O-N 3.37Å; V311-I314 PolarHBondContact O-N 3.26Å; V311-F315 VanDerWaalsContact O-CB 3.25Å; V311-F315 WeakPolarHBondContact O-CB 3.35Å; V311-F315 PolarHBondContact O-N 2.99Å
312N95.3Very high93.2Very high5 Ų528.1 Ų28.13%0.02716%0.161CC..Hα-helixtrans-64.2-45.5177.8-53.30.5000111.4T118 F260 L264 N309 L310 G316T118-N312 WeakPolarHBondContact CG2-ND2 3.04Å; F260-N312 HydrophobicContact CE1-CB 4.34Å; L264-N312 HydrophobicContact CD1-CB 3.76Å; L264-N312 WeakPolarHBondContact CD1-OD1 3.4Å; N309-N312 VanDerWaalsContact O-CB 3.29Å; N309-N312 WeakPolarHBondContact O-CB 3.23Å; N309-N312 PolarHBondContact O-N 2.85Å; N309-N312 VanDerWaalsContact O-N 3.12Å; L310-N312 PolarHBondContact O-N 3.03Å; N312-G316 PolarHBondContact O-N 3.43Å
313D97.3Very high93.7Very high14 Ų1427.7 Ų27.78%0.07516%0.159CC..Hα-helixtrans-64.6-42.6176.6-72.7-89.3000111.1S122 M123 S124 L310 A317S122-D313 PolarHBondContact OG-OD1 3.43Å; M123-D313 HydrophobicContact CE-CB 4.31Å; M123-D313 PolarHBondContact N-OD1 3.18Å; M123-D313 PolarHBondContact N-OD2 2.81Å; S124-D313 WeakPolarHBondContact CB-OD1 3.19Å; S124-D313 PolarHBondContact N-OD1 3.21Å; S124-D313 PolarHBondContact OG-OD1 3.1Å; L310-D313 PolarHBondContact O-N 2.83Å; D313-A317 VanDerWaalsContact O-CB 3.22Å; D313-A317 WeakPolarHBondContact O-CB 3.37Å; D313-A317 PolarHBondContact O-N 2.83Å; D313-A317 VanDerWaalsContact O-N 3.11Å
314I97.9Very high94.2Very high11 Ų1124.3 Ų24.36%0.05614%0.138CC..Hα-helixtrans-67.5-51.2-178.7-66.6168.5000111A140 L144 I200 I283 L310 V311 G318A140-I314 HydrophobicContact CB-CD1 4.09Å; L144-I314 HydrophobicContact CD1-CG2 3.94Å; I200-I314 HydrophobicContact CD1-CG2 3.97Å; I283-I314 HydrophobicContact CD1-CG2 4.09Å; I283-I314 HydrophobicContact CG2-CD1 3.87Å; L310-I314 WeakPolarHBondContact O-CG1 3.47Å; L310-I314 PolarHBondContact O-N 2.94Å; L310-I314 VanDerWaalsContact O-N 3.13Å; V311-I314 PolarHBondContact O-N 3.26Å; I314-G318 PolarHBondContact O-N 3.05Å
315F97.2Very high94.8Very high1 Ų120.5 Ų20.50%0.00412%0.12CC..Hα-helixtrans-62.2-51.9-179.7-177.8-107.2000110.8I200 F205 Y209 V220 F260 F263 L264 V311 A317 G318 F319I200-F315 HydrophobicContact CG1-CD2 4.42Å; I200-F315 HydrophobicContact CG2-CD2 3.72Å; I200-F315 HydrophobicContact CG2-CE2 3.85Å; F205-F315 AromaticContact CE2-CD2 3.89Å; F205-F315 HydrophobicContact CE2-CD2 3.89Å; F205-F315 HydrophobicContact CE2-CE2 4.33Å; F205-F315 HydrophobicContact CE2-CG 4.19Å; Y209-F315 AromaticContact CE2-CE2 3.63Å; Y209-F315 HydrophobicContact CE2-CE2 3.63Å; Y209-F315 AromaticContact CE2-CZ 3.88Å; Y209-F315 HydrophobicContact CE2-CZ 3.88Å; V220-F315 HydrophobicContact CG1-CZ 4.36Å; F260-F315 AromaticContact CE2-CD1 3.62Å; F260-F315 HydrophobicContact CE2-CD1 3.62Å; F260-F315 AromaticContact CE2-CE1 3.84Å; F260-F315 HydrophobicContact CE2-CE1 3.84Å; F260-F315 AromaticContact CZ-CD1 3.73Å; F260-F315 HydrophobicContact CZ-CD1 3.73Å; F260-F315 HydrophobicContact CZ-CE1 4.42Å; F263-F315 HydrophobicContact CE1-CE1 4.4Å; L264-F315 HydrophobicContact CD2-CD1 3.85Å; L264-F315 HydrophobicContact CD2-CE1 4.38Å; L264-F315 HydrophobicContact CD2-CG 4.29Å; V311-F315 VanDerWaalsContact O-CB 3.25Å; V311-F315 WeakPolarHBondContact O-CB 3.35Å; V311-F315 PolarHBondContact O-N 2.99Å; F315-A317 PolarHBondContact O-N 3.26Å; F315-G318 PolarHBondContact O-N 3.26Å; F315-F319 HydrophobicContact CD1-CD1 4.05Å; F315-F319 HydrophobicContact CD1-CE1 4.16Å; F315-F319 AromaticContact CE1-CD1 3.88Å; F315-F319 HydrophobicContact CE1-CD1 3.88Å; F315-F319 HydrophobicContact CE1-CE1 4Å; F315-F319 HydrophobicContact CG-CD1 4.48Å; F315-F319 HydrophobicContact CZ-CD1 4.18Å; F315-F319 WeakPolarHBondContact O-CD1 3.45Å; F315-F319 PolarHBondContact O-N 3.44Å; F315-F319 VanDerWaalsContact O-N 3.08Å
316G96.4Very high95.4Very high19 Ų1913.5 Ų13.520%0.1969%0.087CC..Hα-helixtrans-58.3-47.1-178.600000113.7N312N312-G316 PolarHBondContact O-N 3.43Å
317A97.7Very high96Very high56 Ų5611 Ų1146%0.4638%0.076SC..Hα-helixtrans-69.5-38.3177.400000112.1D313 F315 T321D313-A317 VanDerWaalsContact O-CB 3.22Å; D313-A317 WeakPolarHBondContact O-CB 3.37Å; D313-A317 PolarHBondContact O-N 2.83Å; D313-A317 VanDerWaalsContact O-N 3.11Å; F315-A317 PolarHBondContact O-N 3.26Å; A317-T321 WeakPolarHBondContact O-CB 3.48Å; A317-T321 WeakPolarHBondContact O-CG2 3.31Å; A317-T321 PolarHBondContact O-N 2.9Å; A317-T321 PolarHBondContact O-OG1 3.41Å
318G96.9Very high96.6Very high14 Ų1411 Ų1114%0.1448%0.076CC..Hα-helixtrans-64.4-49.6-176.100000112.9I314 F315 I322I314-G318 PolarHBondContact O-N 3.05Å; F315-G318 PolarHBondContact O-N 3.26Å; G318-I322 WeakPolarHBondContact O-CB 3.41Å; G318-I322 VanDerWaalsContact O-CG1 3.25Å; G318-I322 WeakPolarHBondContact O-CG1 3.28Å
319F96.6Very high97.3Very high4 Ų410.5 Ų10.52%0.0187%0.073CC..Hα-helixtrans-74.2-44.9-176.980.3-102.5000112.5V193 V196 A197 I200 V220 F260 F315 A323V193-F319 HydrophobicContact CG2-CD2 4.23Å; V196-F319 HydrophobicContact CG1-CB 4.49Å; A197-F319 HydrophobicContact CB-CB 4.11Å; I200-F319 HydrophobicContact CG2-CB 3.89Å; V220-F319 HydrophobicContact CB-CD2 4.09Å; V220-F319 HydrophobicContact CB-CE2 4.08Å; V220-F319 HydrophobicContact CG1-CD1 4.33Å; V220-F319 HydrophobicContact CG1-CD2 4.16Å; V220-F319 HydrophobicContact CG1-CE1 4.37Å; V220-F319 HydrophobicContact CG1-CE2 4.22Å; V220-F319 HydrophobicContact CG1-CG 4.26Å; V220-F319 HydrophobicContact CG1-CZ 4.34Å; F260-F319 AromaticContact CE2-CE1 3.95Å; F260-F319 HydrophobicContact CE2-CE1 3.95Å; F260-F319 HydrophobicContact CZ-CE1 4.45Å; F315-F319 HydrophobicContact CD1-CD1 4.05Å; F315-F319 HydrophobicContact CD1-CE1 4.16Å; F315-F319 AromaticContact CE1-CD1 3.88Å; F315-F319 HydrophobicContact CE1-CD1 3.88Å; F315-F319 HydrophobicContact CE1-CE1 4Å; F315-F319 HydrophobicContact CG-CD1 4.48Å; F315-F319 HydrophobicContact CZ-CD1 4.18Å; F315-F319 WeakPolarHBondContact O-CD1 3.45Å; F315-F319 PolarHBondContact O-N 3.44Å; F315-F319 VanDerWaalsContact O-N 3.08Å; F319-A323 WeakPolarHBondContact O-CB 3.37Å; F319-A323 PolarHBondContact O-N 3.44Å
320D98Very high97.7Very high11 Ų119.5 Ų9.56%0.0597%0.068CC..Hα-helixtrans-69.7-44.2-169.6-176.877000112S223 T324 T498 K500S223-D320 VanDerWaalsContact CB-OD1 3.23Å; S223-D320 WeakPolarHBondContact CB-OD1 3.5Å; S223-D320 PolarHBondContact OG-OD1 3.37Å; D320-T324 WeakPolarHBondContact O-CB 3.39Å; D320-T324 PolarHBondContact O-N 3.31Å; D320-T324 VanDerWaalsContact O-N 3.1Å; D320-T324 PolarHBondContact O-OG1 3.03Å; D320-T498 WeakPolarHBondContact OD2-CB 3.33Å; D320-T498 VanDerWaalsContact OD2-CG2 3.29Å; D320-T498 WeakPolarHBondContact OD2-CG2 3.35Å; D320-T498 PolarHBondContact OD2-OG1 2.84Å; D320-K500 IonicContact OD1-NZ 2.85Å; D320-K500 PolarHBondContact OD1-NZ 3.23Å; D320-K500 IonicContact OD2-NZ 3.56Å; D320-K500 PolarHBondContact OD2-NZ 3.3Å
321T98.4Very high97.8Very high44 Ų449.5 Ų9.527%0.277%0.068SC..Hα-helixtrans-71.1-40.6-174.961.30000111.9A317 T324 A325 T498A317-T321 WeakPolarHBondContact O-CB 3.48Å; A317-T321 WeakPolarHBondContact O-CG2 3.31Å; A317-T321 PolarHBondContact O-N 2.9Å; A317-T321 PolarHBondContact O-OG1 3.41Å; T321-T324 PolarHBondContact O-N 3.47Å; T321-A325 PolarHBondContact O-N 3.33Å; T321-T498 HydrophobicContact CG2-CG2 3.93Å
322I98.5Very high98Very high13 Ų139.8 Ų9.87%0.0677%0.069CC..Hα-helixtrans-74.5-42-179.3-57.3-54.3000111.3V196 G318 T324 A325 I326 E467 V468V196-I322 HydrophobicContact CG1-CB 3.64Å; V196-I322 HydrophobicContact CG1-CG2 3.75Å; V196-I322 HydrophobicContact CG2-CG2 4.02Å; G318-I322 WeakPolarHBondContact O-CB 3.41Å; G318-I322 VanDerWaalsContact O-CG1 3.25Å; G318-I322 WeakPolarHBondContact O-CG1 3.28Å; I322-T324 PolarHBondContact O-N 2.78Å; I322-A325 PolarHBondContact O-N 2.92Å; I322-A325 VanDerWaalsContact O-N 3.14Å; I322-I326 HydrophobicContact CG2-CD1 3.82Å; I322-I326 HydrophobicContact CG2-CG1 4.37Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å; I322-I326 PolarHBondContact O-N 3.33Å; I322-E467 HydrophobicContact CG2-CB 4.42Å; I322-E467 HydrophobicContact CG2-CG 3.83Å; I322-V468 HydrophobicContact CD1-CG2 4.27Å; I322-V468 HydrophobicContact CG2-CG2 4.13Å
323A98.6Very high98.2Very high0 Ų09.5 Ų9.50%07%0.067CC..Hα-helixtrans-58.8-39.4173.600000111.4V192 V193 V196 F319 S327V192-A323 HydrophobicContact CG1-CB 4.25Å; V193-A323 HydrophobicContact CB-CB 4.01Å; V193-A323 HydrophobicContact CG2-CB 3.93Å; V196-A323 HydrophobicContact CB-CB 4.43Å; V196-A323 HydrophobicContact CG2-CB 4.47Å; F319-A323 WeakPolarHBondContact O-CB 3.37Å; F319-A323 PolarHBondContact O-N 3.44Å; A323-S327 WeakPolarHBondContact O-CB 3.26Å; A323-S327 PolarHBondContact O-N 3.24Å
324T98.8Very high98.2Very high2 Ų29.3 Ų9.31%0.0127%0.067CC..Hα-helixtrans-64.1-45.9174.9-550000112D320 T321 I322 S327 W328 F381 M499 K500D320-T324 WeakPolarHBondContact O-CB 3.39Å; D320-T324 PolarHBondContact O-N 3.31Å; D320-T324 VanDerWaalsContact O-N 3.1Å; D320-T324 PolarHBondContact O-OG1 3.03Å; T321-T324 PolarHBondContact O-N 3.47Å; I322-T324 PolarHBondContact O-N 2.78Å; T324-S327 PolarHBondContact O-N 2.88Å; T324-W328 VanDerWaalsContact O-CD1 3.22Å; T324-W328 PolarHBondContact O-N 3.18Å; T324-F381 HydrophobicContact CG2-CB 3.95Å; T324-F381 HydrophobicContact CG2-CD2 3.6Å; T324-F381 HydrophobicContact CG2-CE2 4.29Å; T324-F381 HydrophobicContact CG2-CG 3.84Å; T324-M499 WeakPolarHBondContact CG2-O 3.31Å; T324-K500 HydrophobicContact CG2-CD 4.19Å; T324-K500 PolarHBondContact OG1-NZ 2.87Å
325A98.9Very high98.2Very high1 Ų111.2 Ų11.21%0.0088%0.079CC..Hα-helixtrans-60.4-47.8178.700000112.4T321 I322 S329 F376 F381 V468T321-A325 PolarHBondContact O-N 3.33Å; I322-A325 PolarHBondContact O-N 2.92Å; I322-A325 VanDerWaalsContact O-N 3.14Å; A325-S329 WeakPolarHBondContact O-CB 3.47Å; A325-S329 PolarHBondContact O-N 3.13Å; A325-S329 PolarHBondContact O-OG 3.37Å; A325-F376 HydrophobicContact CB-CE1 3.99Å; A325-F381 HydrophobicContact CB-CE1 3.84Å; A325-F381 HydrophobicContact CB-CZ 3.82Å; A325-V468 HydrophobicContact CB-CG2 3.8Å
326I98.8Very high98.2Very high0 Ų013.4 Ų13.40%09%0.089CC..Hα-helixtrans-67.5-42.4178.9-63.5170.4000110V192 V196 I322 W328 S329 L330 V468 F471V192-I326 HydrophobicContact CB-CG2 4.48Å; V192-I326 HydrophobicContact CG1-CB 3.74Å; V192-I326 HydrophobicContact CG1-CD1 4.35Å; V192-I326 HydrophobicContact CG1-CG2 3.69Å; V192-I326 HydrophobicContact CG2-CG2 3.88Å; V196-I326 HydrophobicContact CG2-CD1 3.82Å; I322-I326 HydrophobicContact CG2-CD1 3.82Å; I322-I326 HydrophobicContact CG2-CG1 4.37Å; I322-I326 WeakPolarHBondContact O-CG1 3.43Å; I322-I326 PolarHBondContact O-N 3.33Å; I326-W328 PolarHBondContact O-N 3.25Å; I326-S329 WeakPolarHBondContact O-CA 3.24Å; I326-S329 VanDerWaalsContact O-CB 3.26Å; I326-S329 WeakPolarHBondContact O-CB 3.28Å; I326-S329 PolarHBondContact O-N 2.89Å; I326-S329 VanDerWaalsContact O-N 3.12Å; I326-L330 HydrophobicContact CG2-CD1 4.33Å; I326-L330 HydrophobicContact CG2-CG 4.43Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 3.15Å; I326-V468 HydrophobicContact CG1-CG1 4.49Å; I326-V468 HydrophobicContact CG1-CG2 4.16Å; I326-F471 HydrophobicContact CD1-CB 3.76Å; I326-F471 HydrophobicContact CD1-CD2 3.52Å; I326-F471 HydrophobicContact CD1-CE2 4.26Å; I326-F471 HydrophobicContact CD1-CG 3.74Å
327S98.6Very high98.3Very high0 Ų015.4 Ų15.40%010%0.098CC..Hα-helixtrans-60.2-46.4177.4-162.30000112.1A323 T324 S329 L330 M331 H501A323-S327 WeakPolarHBondContact O-CB 3.26Å; A323-S327 PolarHBondContact O-N 3.24Å; T324-S327 PolarHBondContact O-N 2.88Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.32Å; S327-L330 PolarHBondContact O-N 3.16Å; S327-M331 VanDerWaalsContact O-CG 3.26Å; S327-M331 WeakPolarHBondContact O-CG 3.32Å; S327-M331 PolarHBondContact O-N 3.47Å; S327-H501 PolarHBondContact OG-CE1 2.87Å; S327-H501 PolarHBondContact OG-NE2 2.86Å
328W98.8Very high98.3Very high0 Ų016.6 Ų16.60%09%0.094CC..Hα-helixtrans-60.2-41172.4-85.1111.4000112.6T324 I326 L330 M331 Y332 T375 L491 P493 M499 H501T324-W328 VanDerWaalsContact O-CD1 3.22Å; T324-W328 PolarHBondContact O-N 3.18Å; I326-W328 PolarHBondContact O-N 3.25Å; W328-L330 VanDerWaalsContact C-N 3.34Å; W328-L330 PolarHBondContact O-N 2.75Å; W328-M331 WeakPolarHBondContact O-CB 3.42Å; W328-M331 PolarHBondContact O-N 3.47Å; W328-Y332 HydrophobicContact CB-CE2 4.29Å; W328-Y332 AromaticContact CE3-CE2 3.92Å; W328-Y332 HydrophobicContact CE3-CE2 3.92Å; W328-Y332 WeakPolarHBondContact O-CD2 3.36Å; W328-Y332 PolarHBondContact O-N 2.96Å; W328-T375 HydrophobicContact CB-CG2 4.01Å; W328-L491 VanDerWaalsContact CH2-O 3.32Å; W328-L491 WeakPolarHBondContact CH2-O 3.46Å; W328-L491 HydrophobicContact CZ3-CB 4.46Å; W328-L491 HydrophobicContact CZ3-CD2 4.34Å; W328-P493 HydrophobicContact CH2-CB 4.18Å; W328-P493 HydrophobicContact CH2-CG 3.85Å; W328-P493 HydrophobicContact CZ2-CB 3.97Å; W328-P493 HydrophobicContact CZ2-CG 4.08Å; W328-M499 PolarHBondContact NE1-O 2.92Å; W328-H501 HydrophobicContact CH2-CB 3.79Å; W328-H501 HydrophobicContact CZ2-CB 3.89Å; W328-H501 HydrophobicContact CZ3-CB 4.2Å
329S98.9Very high98.4Very high0 Ų016.3 Ų16.30%09%0.089CC..Hα-helixtrans-57-49.2176-58.20000110.8A325 I326 S327 M331 Y332 L333 F371A325-S329 WeakPolarHBondContact O-CB 3.47Å; A325-S329 PolarHBondContact O-N 3.13Å; A325-S329 PolarHBondContact O-OG 3.37Å; I326-S329 WeakPolarHBondContact O-CA 3.24Å; I326-S329 VanDerWaalsContact O-CB 3.26Å; I326-S329 WeakPolarHBondContact O-CB 3.28Å; I326-S329 PolarHBondContact O-N 2.89Å; I326-S329 VanDerWaalsContact O-N 3.12Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.32Å; S329-M331 VanDerWaalsContact C-N 3.34Å; S329-M331 PolarHBondContact O-N 3.31Å; S329-Y332 PolarHBondContact O-N 3.4Å; S329-L333 WeakPolarHBondContact O-CD1 3.11Å; S329-L333 VanDerWaalsContact O-CG 3.23Å; S329-L333 WeakPolarHBondContact O-CG 3.42Å; S329-L333 PolarHBondContact O-N 2.93Å; S329-F371 WeakPolarHBondContact O-CZ 3.46Å
330L98.8Very high98.5Very high4 Ų416.2 Ų16.22%0.0219%0.088CC..Hα-helixtrans-61.2-40.7177.2-66.2178.3000112P188 V192 I326 S327 W328 Y332 L333 V334 F481 F507P188-L330 HydrophobicContact CB-CD1 3.85Å; V192-L330 HydrophobicContact CG2-CD1 3.79Å; I326-L330 HydrophobicContact CG2-CD1 4.33Å; I326-L330 HydrophobicContact CG2-CG 4.43Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 3.15Å; S327-L330 PolarHBondContact O-N 3.16Å; W328-L330 VanDerWaalsContact C-N 3.34Å; W328-L330 PolarHBondContact O-N 2.75Å; L330-Y332 PolarHBondContact O-N 3.3Å; L330-L333 HydrophobicContact CD2-CD1 4.4Å; L330-L333 PolarHBondContact O-N 3.35Å; L330-V334 PolarHBondContact O-N 2.93Å; L330-F481 HydrophobicContact CD2-CD1 4.32Å; L330-F481 HydrophobicContact CD2-CD2 3.89Å; L330-F481 HydrophobicContact CD2-CE1 4.21Å; L330-F481 HydrophobicContact CD2-CE2 3.79Å; L330-F481 HydrophobicContact CD2-CG 4.15Å; L330-F481 HydrophobicContact CD2-CZ 3.95Å; L330-F507 HydrophobicContact CB-CE1 3.88Å; L330-F507 HydrophobicContact CB-CZ 4.46Å
331M98.6Very high98.5Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-61.4-41.4175-66.1-69.6-74.700112.9S327 W328 S329 V334 T335 V489 L491 H501 C504 F507S327-M331 VanDerWaalsContact O-CG 3.26Å; S327-M331 WeakPolarHBondContact O-CG 3.32Å; S327-M331 PolarHBondContact O-N 3.47Å; W328-M331 WeakPolarHBondContact O-CB 3.42Å; W328-M331 PolarHBondContact O-N 3.47Å; S329-M331 VanDerWaalsContact C-N 3.34Å; S329-M331 PolarHBondContact O-N 3.31Å; M331-V334 WeakPolarHBondContact O-CG2 3.31Å; M331-T335 WeakPolarHBondContact O-CG2 3.25Å; M331-T335 PolarHBondContact O-N 2.69Å; M331-T335 PolarHBondContact O-OG1 3.21Å; M331-V489 HydrophobicContact CE-CG1 3.28Å; M331-V489 HydrophobicContact SD-CG1 4.11Å; M331-L491 HydrophobicContact CB-CD2 3.78Å; M331-L491 HydrophobicContact CE-CD2 4.02Å; M331-H501 HydrophobicContact CE-CB 4.28Å; M331-H501 WeakPolarHBondContact CG-NE2 3.37Å; M331-C504 HydrophobicContact CE-CB 4.38Å; M331-C504 HydrophobicContact SD-CB 4.2Å; M331-F507 HydrophobicContact CG-CZ 4.33Å; M331-F507 HydrophobicContact SD-CE2 3.52Å; M331-F507 VanDerWaalsContact SD-CE2 3.52Å; M331-F507 HydrophobicContact SD-CZ 3.55Å; M331-F507 VanDerWaalsContact SD-CZ 3.55Å
332Y98.8Very high98.5Very high6 Ų624.4 Ų24.42%0.02412%0.116CC..Hα-helixtrans-66.8-38.4173.7-71.7-63.1000112W328 S329 L330 V334 T335 K336 T375 H378 F427W328-Y332 HydrophobicContact CB-CE2 4.29Å; W328-Y332 AromaticContact CE3-CE2 3.92Å; W328-Y332 HydrophobicContact CE3-CE2 3.92Å; W328-Y332 WeakPolarHBondContact O-CD2 3.36Å; W328-Y332 PolarHBondContact O-N 2.96Å; S329-Y332 PolarHBondContact O-N 3.4Å; L330-Y332 PolarHBondContact O-N 3.3Å; Y332-V334 PolarHBondContact O-N 2.95Å; Y332-T335 WeakPolarHBondContact CA-OG1 3.4Å; Y332-T335 PolarHBondContact O-N 3.03Å; Y332-T335 PolarHBondContact O-OG1 3.43Å; Y332-K336 VanDerWaalsContact O-CB 3.3Å; Y332-K336 WeakPolarHBondContact O-CB 3.48Å; Y332-K336 PolarHBondContact O-N 3.35Å; Y332-T375 HydrophobicContact CD2-CG2 4.02Å; Y332-T375 HydrophobicContact CE2-CG2 4.08Å; Y332-H378 AromaticContact CE1-CE1 3.97Å; Y332-H378 AromaticContact CE1-ND1 3.57Å; Y332-H378 AromaticContact CZ-ND1 3.43Å; Y332-H378 PolarHBondContact OH-ND1 2.99Å; Y332-F427 HydrophobicContact CD1-CD1 4.35Å; Y332-F427 AromaticContact CD1-CD2 3.46Å; Y332-F427 HydrophobicContact CD1-CD2 3.46Å; Y332-F427 VanDerWaalsContact CD1-CD2 3.46Å; Y332-F427 HydrophobicContact CD1-CE1 4.49Å; Y332-F427 AromaticContact CD1-CE2 3.62Å; Y332-F427 HydrophobicContact CD1-CE2 3.62Å; Y332-F427 AromaticContact CD1-CG 3.86Å; Y332-F427 HydrophobicContact CD1-CG 3.86Å; Y332-F427 HydrophobicContact CD1-CZ 4.16Å; Y332-F427 HydrophobicContact CD2-CD2 4.1Å; Y332-F427 AromaticContact CD2-CE2 3.47Å; Y332-F427 HydrophobicContact CD2-CE2 3.47Å; Y332-F427 VanDerWaalsContact CD2-CE2 3.47Å; Y332-F427 AromaticContact CD2-CZ 3.99Å; Y332-F427 HydrophobicContact CD2-CZ 3.99Å; Y332-F427 HydrophobicContact CE1-CB 4.48Å; Y332-F427 AromaticContact CE1-CD2 3.46Å; Y332-F427 HydrophobicContact CE1-CD2 3.46Å; Y332-F427 VanDerWaalsContact CE1-CD2 3.46Å; Y332-F427 AromaticContact CE1-CE2 3.89Å; Y332-F427 HydrophobicContact CE1-CE2 3.89Å; Y332-F427 HydrophobicContact CE1-CG 4.1Å; Y332-F427 HydrophobicContact CE2-CD2 4.13Å; Y332-F427 AromaticContact CE2-CE2 3.77Å; Y332-F427 HydrophobicContact CE2-CE2 3.77Å; Y332-F427 AromaticContact CG-CD2 3.81Å; Y332-F427 HydrophobicContact CG-CD2 3.81Å; Y332-F427 HydrophobicContact CG-CE1 4.32Å; Y332-F427 AromaticContact CG-CE2 3.42Å; Y332-F427 HydrophobicContact CG-CE2 3.42Å; Y332-F427 VanDerWaalsContact CG-CE2 3.42Å; Y332-F427 HydrophobicContact CG-CG 4.41Å; Y332-F427 AromaticContact CG-CZ 3.72Å; Y332-F427 HydrophobicContact CG-CZ 3.72Å; Y332-F427 AromaticContact CZ-CD2 3.84Å; Y332-F427 AromaticContact CZ-CE2 3.99Å
333L98.7Very high98.5Very high0 Ų023.8 Ų23.80%011%0.113CC..Hα-helixtrans-67.4-37.1-178.1-68.9163.3000113.1S329 L330 K336 Q340 I343 F371 L472 L476S329-L333 WeakPolarHBondContact O-CD1 3.11Å; S329-L333 VanDerWaalsContact O-CG 3.23Å; S329-L333 WeakPolarHBondContact O-CG 3.42Å; S329-L333 PolarHBondContact O-N 2.93Å; L330-L333 HydrophobicContact CD2-CD1 4.4Å; L330-L333 PolarHBondContact O-N 3.35Å; L333-K336 CarbonylContact O-C 3.06Å; L333-Q340 HydrophobicContact CB-CB 4.35Å; L333-Q340 HydrophobicContact CD2-CB 3.72Å; L333-Q340 HydrophobicContact CD2-CG 4.09Å; L333-Q340 PolarHBondContact O-NE2 3.49Å; L333-I343 HydrophobicContact CD2-CD1 3.72Å; L333-F371 HydrophobicContact CD1-CE1 4.15Å; L333-F371 HydrophobicContact CD1-CZ 3.89Å; L333-F371 HydrophobicContact CD2-CD2 4.46Å; L333-F371 HydrophobicContact CD2-CE1 4.28Å; L333-F371 HydrophobicContact CD2-CE2 3.81Å; L333-F371 HydrophobicContact CD2-CZ 3.73Å; L333-F371 HydrophobicContact CG-CE1 4.24Å; L333-F371 HydrophobicContact CG-CE2 3.98Å; L333-F371 HydrophobicContact CG-CZ 3.53Å; L333-L472 HydrophobicContact CD1-CD2 4.46Å; L333-L476 HydrophobicContact CD1-CD1 3.86Å; L333-L476 HydrophobicContact CD1-CD2 3.93Å; L333-L476 HydrophobicContact CD1-CG 4.44Å; L333-L476 HydrophobicContact CD2-CD1 4.47Å
334V98.4Very high98.6Very high10 Ų1024.3 Ų24.36%0.06112%0.115CC..Hα-helixtrans-76.8-25.6176.9-60.40000113.1L330 M331 Y332 F481 V483 F507L330-V334 PolarHBondContact O-N 2.93Å; M331-V334 WeakPolarHBondContact O-CG2 3.31Å; Y332-V334 PolarHBondContact O-N 2.95Å; V334-F481 HydrophobicContact CG1-CB 3.83Å; V334-V483 HydrophobicContact CB-CG1 4.18Å; V334-V483 HydrophobicContact CG2-CG1 4.13Å; V334-F507 HydrophobicContact CB-CE1 4.24Å; V334-F507 HydrophobicContact CB-CZ 4.24Å; V334-F507 HydrophobicContact CG1-CD1 3.81Å; V334-F507 HydrophobicContact CG1-CE1 3.3Å; V334-F507 HydrophobicContact CG1-CZ 3.78Å; V334-F507 HydrophobicContact CG2-CE1 3.91Å; V334-F507 HydrophobicContact CG2-CE2 4.04Å; V334-F507 HydrophobicContact CG2-CZ 3.43Å; V334-F507 VanDerWaalsContact CG2-CZ 3.43Å
335T97.6Very high98.5Very high51 Ų5131.6 Ų31.631%0.31315%0.147SC..Hα-helixtrans-88.4-1517654.10000113.1M331 Y332 V489 L491M331-T335 WeakPolarHBondContact O-CG2 3.25Å; M331-T335 PolarHBondContact O-N 2.69Å; M331-T335 PolarHBondContact O-OG1 3.21Å; Y332-T335 WeakPolarHBondContact CA-OG1 3.4Å; Y332-T335 PolarHBondContact O-N 3.03Å; Y332-T335 PolarHBondContact O-OG1 3.43Å; T335-V489 HydrophobicContact CG2-CB 3.79Å; T335-V489 HydrophobicContact CG2-CG1 3.74Å; T335-V489 HydrophobicContact CG2-CG2 4.3Å; T335-L491 HydrophobicContact CG2-CD1 4.07Å; T335-L491 HydrophobicContact CG2-CD2 4.3Å; T335-L491 HydrophobicContact CG2-CG 4.34Å
336K97.7Very high98.5Very high47 Ų4732.9 Ų32.920%0.20415%0.153CC..  trans-132.468.9179.3-63.7176.7178.5-99.20111.9Y332 L333 E338 I339 Q340 F427Y332-K336 VanDerWaalsContact O-CB 3.3Å; Y332-K336 WeakPolarHBondContact O-CB 3.48Å; Y332-K336 PolarHBondContact O-N 3.35Å; L333-K336 CarbonylContact O-C 3.06Å; K336-E338 VanDerWaalsContact C-OE2 3.24Å; K336-E338 WeakPolarHBondContact CA-OE2 3.09Å; K336-E338 VanDerWaalsContact CB-OE1 3.31Å; K336-E338 WeakPolarHBondContact CB-OE1 3.38Å; K336-E338 PolarHBondContact O-N 3.18Å; K336-E338 VanDerWaalsContact O-N 3.1Å; K336-I339 HydrophobicContact CB-CB 4.25Å; K336-I339 HydrophobicContact CB-CD1 3.86Å; K336-I339 HydrophobicContact CB-CG1 4.08Å; K336-I339 HydrophobicContact CD-CD1 3.63Å; K336-I339 HydrophobicContact CG-CD1 4.32Å; K336-I339 WeakPolarHBondContact O-CB 3.39Å; K336-I339 PolarHBondContact O-N 3.35Å; K336-Q340 PolarHBondContact O-N 2.87Å; K336-F427 HydrophobicContact CD-CB 4.26Å; K336-F427 HydrophobicContact CD-CD1 3.56Å; K336-F427 HydrophobicContact CD-CE1 4.3Å; K336-F427 HydrophobicContact CD-CG 4.17Å; K336-F427 PolarHBondContact NZ-O 3.19Å
337P97.6Very high98.5Very high61 Ų6132.9 Ų32.940%0.39615%0.153SC..Hα-helixtrans-58.9-25-176-23.734.6000114.4R341P337-R341 VanDerWaalsContact O-CG 3.32Å; P337-R341 WeakPolarHBondContact O-CG 3.3Å; P337-R341 PolarHBondContact O-N 2.88Å; P337-R341 PolarHBondContact O-NE 2.8Å
338E98.4Very high98.5Very high81 Ų8135.1 Ų35.138%0.37917%0.165SC..Hα-helixtrans-63.5-37.6172.671.2-69.7168.400113.3K336 K342K336-E338 VanDerWaalsContact C-OE2 3.24Å; K336-E338 WeakPolarHBondContact CA-OE2 3.09Å; K336-E338 VanDerWaalsContact CB-OE1 3.31Å; K336-E338 WeakPolarHBondContact CB-OE1 3.38Å; K336-E338 PolarHBondContact O-N 3.18Å; K336-E338 VanDerWaalsContact O-N 3.1Å; E338-K342 WeakPolarHBondContact O-CG 3.26Å; E338-K342 PolarHBondContact O-N 3.11Å; E338-K342 VanDerWaalsContact O-N 3.15Å
339I98.8Very high98.5Very high7 Ų739.2 Ų39.24%0.03620%0.199CC..Hα-helixtrans-70.8-44.7177.2-65.9-179.1000109.7K336 R341 K342 I343 Y367 F371 F427 P429K336-I339 HydrophobicContact CB-CB 4.25Å; K336-I339 HydrophobicContact CB-CD1 3.86Å; K336-I339 HydrophobicContact CB-CG1 4.08Å; K336-I339 HydrophobicContact CD-CD1 3.63Å; K336-I339 HydrophobicContact CG-CD1 4.32Å; K336-I339 WeakPolarHBondContact O-CB 3.39Å; K336-I339 PolarHBondContact O-N 3.35Å; I339-R341 VanDerWaalsContact C-N 3.31Å; I339-R341 PolarHBondContact O-N 2.83Å; I339-K342 WeakPolarHBondContact O-CB 3.35Å; I339-K342 PolarHBondContact O-N 3.45Å; I339-K342 VanDerWaalsContact O-N 3.09Å; I339-I343 HydrophobicContact CG2-CD1 4.2Å; I339-I343 PolarHBondContact O-N 2.88Å; I339-Y367 HydrophobicContact CG2-CE1 4.1Å; I339-F371 HydrophobicContact CG2-CD2 3.63Å; I339-F371 HydrophobicContact CG2-CE2 4.14Å; I339-F371 HydrophobicContact CG2-CG 4.48Å; I339-F427 HydrophobicContact CD1-CD1 3.63Å; I339-F427 HydrophobicContact CD1-CE1 3.64Å; I339-P429 HydrophobicContact CD1-CG 3.92Å; I339-P429 HydrophobicContact CG2-CG 4.09Å
340Q98.8Very high98.4Very high2 Ų241.8 Ų41.81%0.00921%0.214CC..Hα-helixtrans-56.9-45.6176.1-174.2173.8-177.700111.5L333 K336 K342 I343 Q344 L476 F481L333-Q340 HydrophobicContact CB-CB 4.35Å; L333-Q340 HydrophobicContact CD2-CB 3.72Å; L333-Q340 HydrophobicContact CD2-CG 4.09Å; L333-Q340 PolarHBondContact O-NE2 3.49Å; K336-Q340 PolarHBondContact O-N 2.87Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 2.83Å; Q340-I343 PolarHBondContact O-N 3.48Å; Q340-Q344 WeakPolarHBondContact O-CB 3.33Å; Q340-Q344 VanDerWaalsContact O-CG 3.28Å; Q340-Q344 WeakPolarHBondContact O-CG 3.21Å; Q340-Q344 PolarHBondContact O-N 2.83Å; Q340-L476 HydrophobicContact CG-CD2 4.2Å; Q340-F481 PolarHBondContact NE2-O 2.79Å
341R98.6Very high98.4Very high136 Ų13642.4 Ų42.451%0.51322%0.218SC..Hα-helixtrans-62.2-34.6176-74.5179.8-67.7168.6-0.7113.2P337 I339 K345P337-R341 VanDerWaalsContact O-CG 3.32Å; P337-R341 WeakPolarHBondContact O-CG 3.3Å; P337-R341 PolarHBondContact O-N 2.88Å; P337-R341 PolarHBondContact O-NE 2.8Å; I339-R341 VanDerWaalsContact C-N 3.31Å; I339-R341 PolarHBondContact O-N 2.83Å; R341-K345 WeakPolarHBondContact O-CB 3.29Å; R341-K345 VanDerWaalsContact O-CG 3.29Å; R341-K345 WeakPolarHBondContact O-CG 3.32Å; R341-K345 PolarHBondContact O-N 3Å
342K98.6Very high98.2Very high92 Ų9243.4 Ų43.440%0.423%0.227SC..Hα-helixtrans-67.2-45.1175.8-76.4172.2173.3175.50111.7E338 I339 Q340 Q344 K345 E346 Y367 E430E338-K342 WeakPolarHBondContact O-CG 3.26Å; E338-K342 PolarHBondContact O-N 3.11Å; E338-K342 VanDerWaalsContact O-N 3.15Å; I339-K342 WeakPolarHBondContact O-CB 3.35Å; I339-K342 PolarHBondContact O-N 3.45Å; I339-K342 VanDerWaalsContact O-N 3.09Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 2.83Å; K342-Q344 VanDerWaalsContact C-N 3.33Å; K342-Q344 PolarHBondContact O-N 2.81Å; K342-K345 PolarHBondContact O-N 2.81Å; K342-E346 PolarHBondContact O-N 3.37Å; K342-Y367 HydrophobicContact CB-CD1 3.9Å; K342-Y367 HydrophobicContact CB-CE1 3.38Å; K342-Y367 HydrophobicContact CB-CE2 4.29Å; K342-Y367 HydrophobicContact CD-CE1 4.14Å; K342-Y367 HydrophobicContact CD-CE2 3.85Å; K342-Y367 VanDerWaalsContact CD-CZ 3.46Å; K342-Y367 WeakPolarHBondContact CD-OH 3.27Å; K342-Y367 HydrophobicContact CG-CE1 4.43Å; K342-E430 IonicContact NZ-OE1 2.74Å; K342-E430 PolarHBondContact NZ-OE1 3.47Å
343I98.8Very high98Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-58.7-47.5174.1-64.2166.3000110.3L333 I339 Q340 K345 E346 L347 Y367 L368 F371 L476L333-I343 HydrophobicContact CD2-CD1 3.72Å; I339-I343 HydrophobicContact CG2-CD1 4.2Å; I339-I343 PolarHBondContact O-N 2.88Å; Q340-I343 PolarHBondContact O-N 3.48Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 2.75Å; I343-E346 WeakPolarHBondContact O-CB 3.39Å; I343-E346 PolarHBondContact O-N 3.01Å; I343-L347 HydrophobicContact CG2-CD1 3.92Å; I343-L347 HydrophobicContact CG2-CG 4.38Å; I343-L347 WeakPolarHBondContact O-CG 3.42Å; I343-L347 PolarHBondContact O-N 3.13Å; I343-Y367 HydrophobicContact CB-CD1 4.48Å; I343-Y367 HydrophobicContact CG1-CD1 3.59Å; I343-Y367 HydrophobicContact CG1-CE1 3.77Å; I343-L368 HydrophobicContact CD1-CD1 4.37Å; I343-L368 HydrophobicContact CG2-CB 4.27Å; I343-L368 HydrophobicContact CG2-CD1 3.98Å; I343-F371 HydrophobicContact CD1-CB 3.94Å; I343-F371 HydrophobicContact CD1-CD1 3.81Å; I343-F371 HydrophobicContact CD1-CD2 4.06Å; I343-F371 HydrophobicContact CD1-CE1 4.37Å; I343-F371 HydrophobicContact CD1-CG 3.64Å; I343-L476 HydrophobicContact CD1-CD1 4.18Å; I343-L476 HydrophobicContact CG2-CB 4.44Å; I343-L476 HydrophobicContact CG2-CD1 3.79Å
344Q98.8Very high97.6Very high10 Ų1055 Ų555%0.04730%0.298CS..Hα-helixtrans-61.3-39.6179.2-77.1175.8-1000113Q340 K342 D348 L476 L479 R512Q340-Q344 WeakPolarHBondContact O-CB 3.33Å; Q340-Q344 VanDerWaalsContact O-CG 3.28Å; Q340-Q344 WeakPolarHBondContact O-CG 3.21Å; Q340-Q344 PolarHBondContact O-N 2.83Å; K342-Q344 VanDerWaalsContact C-N 3.33Å; K342-Q344 PolarHBondContact O-N 2.81Å; Q344-D348 WeakPolarHBondContact O-CB 3.41Å; Q344-D348 VanDerWaalsContact O-CG 3.25Å; Q344-D348 PolarHBondContact O-N 2.9Å; Q344-D348 VanDerWaalsContact O-OD1 3.12Å; Q344-L476 WeakPolarHBondContact CG-O 3.48Å; Q344-L479 PolarHBondContact NE2-O 3.48Å; Q344-R512 VanDerWaalsContact CB-CZ 3.44Å; Q344-R512 VanDerWaalsContact CD-NE 3.35Å
345K98.5Very high97.5Very high156 Ų15659.3 Ų59.368%0.67831%0.313SS*.Hα-helixtrans-64.1-41173.3-78.3177.4178.6-172.50112.4R341 K342 I343 A349R341-K345 WeakPolarHBondContact O-CB 3.29Å; R341-K345 VanDerWaalsContact O-CG 3.29Å; R341-K345 WeakPolarHBondContact O-CG 3.32Å; R341-K345 PolarHBondContact O-N 3Å; K342-K345 PolarHBondContact O-N 2.81Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 2.75Å; K345-A349 WeakPolarHBondContact O-CB 3.39Å; K345-A349 PolarHBondContact O-N 2.71Å
346E98.6Very high97.3Very high28 Ų2861.6 Ų61.613%0.13132%0.316CS..Hα-helixtrans-62.5-48.4175.8-179.1-179-111.300111.2K342 I343 D348 A349 V350 L365 P366 Y367 L368K342-E346 PolarHBondContact O-N 3.37Å; I343-E346 WeakPolarHBondContact O-CB 3.39Å; I343-E346 PolarHBondContact O-N 3.01Å; E346-D348 VanDerWaalsContact C-N 3.35Å; E346-D348 PolarHBondContact O-N 3.11Å; E346-A349 PolarHBondContact O-N 3.31Å; E346-V350 HydrophobicContact CG-CG2 4.37Å; E346-V350 WeakPolarHBondContact O-CB 3.24Å; E346-V350 WeakPolarHBondContact O-CG2 3.31Å; E346-V350 PolarHBondContact O-N 3.09Å; E346-L365 HydrophobicContact CG-CD2 3.8Å; E346-L365 WeakPolarHBondContact OE2-CA 3.37Å; E346-P366 WeakPolarHBondContact OE1-CD 3.28Å; E346-P366 WeakPolarHBondContact OE1-CG 3.32Å; E346-Y367 WeakPolarHBondContact OE1-CB 3.32Å; E346-Y367 PolarHBondContact OE1-N 3.43Å; E346-Y367 WeakPolarHBondContact OE2-CB 3.29Å; E346-Y367 PolarHBondContact OE2-N 2.73Å; E346-L368 PolarHBondContact OE2-N 2.65Å
347L98.6Very high97.3Very high0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-57.6-46.3176.4-71.9168.4000111.9I343 A349 I351 G352 P357 L365 A473 L476 Q477I343-L347 HydrophobicContact CG2-CD1 3.92Å; I343-L347 HydrophobicContact CG2-CG 4.38Å; I343-L347 WeakPolarHBondContact O-CG 3.42Å; I343-L347 PolarHBondContact O-N 3.13Å; L347-A349 VanDerWaalsContact C-N 3.31Å; L347-A349 PolarHBondContact O-N 3.46Å; L347-I351 HydrophobicContact CD2-CD1 4Å; L347-I351 WeakPolarHBondContact O-CB 3.21Å; L347-I351 PolarHBondContact O-N 3.11Å; L347-G352 PolarHBondContact O-N 3.34Å; L347-G352 VanDerWaalsContact O-N 3.15Å; L347-P357 HydrophobicContact CD2-CG 4.36Å; L347-L365 HydrophobicContact CD2-CD1 3.64Å; L347-L365 HydrophobicContact CD2-CD2 4.13Å; L347-A473 HydrophobicContact CD2-CB 4.32Å; L347-L476 HydrophobicContact CD1-CB 3.93Å; L347-Q477 HydrophobicContact CD1-CB 4.4Å
348D98.3Very high97.3Very high46 Ų4662.1 Ų62.125%0.24631%0.309CS..Hα-helixtrans-63.8-36.3178.8-74.917.2000112.2Q344 E346 G352 R353 R512Q344-D348 WeakPolarHBondContact O-CB 3.41Å; Q344-D348 VanDerWaalsContact O-CG 3.25Å; Q344-D348 PolarHBondContact O-N 2.9Å; Q344-D348 VanDerWaalsContact O-OD1 3.12Å; E346-D348 VanDerWaalsContact C-N 3.35Å; E346-D348 PolarHBondContact O-N 3.11Å; D348-G352 VanDerWaalsContact O-CA 3.24Å; D348-G352 WeakPolarHBondContact O-CA 3.16Å; D348-G352 PolarHBondContact O-N 3.28Å; D348-R353 IonicContact OD2-NH2 3.61Å; D348-R512 IonicContact OD1-CZ 2.63Å; D348-R512 IonicContact OD1-NH1 2.81Å; D348-R512 PolarHBondContact OD1-NH1 3.26Å; D348-R512 VanDerWaalsContact OD1-NH1 3.11Å; D348-R512 IonicContact OD1-NH2 2.89Å; D348-R512 PolarHBondContact OD1-NH2 3.17Å; D348-R512 IonicContact OD2-NH2 3.39Å; D348-R512 PolarHBondContact OD2-NH2 3.25Å
349A97.9Very high97.2Very high87 Ų8759.5 Ų59.572%0.71930%0.297SS*.Hα-helixtrans-76.9-39.8-178.200000113.1K345 E346 L347K345-A349 WeakPolarHBondContact O-CB 3.39Å; K345-A349 PolarHBondContact O-N 2.71Å; E346-A349 PolarHBondContact O-N 3.31Å; L347-A349 VanDerWaalsContact C-N 3.31Å; L347-A349 PolarHBondContact O-N 3.46Å
350V97.9Very high97.1Very high53 Ų5363.4 Ų63.432%0.32133%0.325SS..Hα-helixtrans-88.7-42.9-172.5174.90000111.9E346 Q364 L365E346-V350 HydrophobicContact CG-CG2 4.37Å; E346-V350 WeakPolarHBondContact O-CB 3.24Å; E346-V350 WeakPolarHBondContact O-CG2 3.31Å; E346-V350 PolarHBondContact O-N 3.09Å; V350-Q364 HydrophobicContact CG1-CB 3.65Å; V350-L365 HydrophobicContact CB-CD2 3.89Å; V350-L365 HydrophobicContact CG1-CD2 4.01Å; V350-L365 HydrophobicContact CG2-CD2 4.18Å
351I97.7Very high97Very high18 Ų1863.5 Ų63.59%0.09233%0.326CS..THydrogen-bonded Turntrans-105.3-35.3-173.6-58.6173.9000110.5L347 R355 P357 D361 L365L347-I351 HydrophobicContact CD2-CD1 4Å; L347-I351 WeakPolarHBondContact O-CB 3.21Å; L347-I351 PolarHBondContact O-N 3.11Å; I351-R355 HydrophobicContact CG2-CG 3.95Å; I351-P357 HydrophobicContact CD1-CB 3.69Å; I351-P357 HydrophobicContact CD1-CG 3.91Å; I351-D361 HydrophobicContact CD1-CB 3.94Å; I351-D361 HydrophobicContact CG1-CB 4.37Å; I351-L365 HydrophobicContact CD1-CD1 3.97Å; I351-L365 HydrophobicContact CD1-CD2 4.31Å
352G95.7Very high97Very high20 Ų2059.2 Ų59.221%0.20631%0.309CS..  trans70.4-151.6-171.400000111.8L347 D348 Q477L347-G352 PolarHBondContact O-N 3.34Å; L347-G352 VanDerWaalsContact O-N 3.15Å; D348-G352 VanDerWaalsContact O-CA 3.24Å; D348-G352 WeakPolarHBondContact O-CA 3.16Å; D348-G352 PolarHBondContact O-N 3.28Å; G352-Q477 PolarHBondContact O-NE2 3.09Å
353R93.3Very high96.8Very high164 Ų16462.3 Ų62.362%0.61933%0.33SS*.SBendtrans-118.5-2.9-172.8-54.2178.6-168.1175.7-0.4113.7D348 F513D348-R353 IonicContact OD2-NH2 3.61Å; R353-F513 HydrophobicContact CG-CD2 4.37Å; R353-F513 HydrophobicContact CG-CE2 3.88Å; R353-F513 HydrophobicContact CG-CZ 4Å; R353-F513 VanDerWaalsContact NH1-CD1 3.31Å
354G91.8Very high96.7Very high86 Ų8667.6 Ų67.689%0.88735%0.354SS*.SBendtrans-81.5-13-176.400000114.2
355R94.8Very high96.7Very high101 Ų10167.1 Ų67.138%0.38135%0.352SS..SBendtrans-150.2161.5177.266.9176.1-176.585-5.9111.2I351 D361 Q477I351-R355 HydrophobicContact CG2-CG 3.95Å; R355-D361 IonicContact CZ-OD1 2.77Å; R355-D361 IonicContact CZ-OD2 4Å; R355-D361 IonicContact NH1-OD1 3.05Å; R355-D361 PolarHBondContact NH1-OD1 3.08Å; R355-D361 IonicContact NH1-OD2 3.35Å; R355-D361 PolarHBondContact NH1-OD2 3.12Å; R355-D361 IonicContact NH2-OD1 2.75Å; R355-D361 PolarHBondContact NH2-OD1 3.04Å; R355-D361 IonicContact NH2-OD2 3.52Å; R355-D361 PolarHBondContact NH2-OD2 3.43Å; R355-Q477 PolarHBondContact O-NE2 3.25Å
356R94.9Very high96.7Very high98 Ų9860.3 Ų60.337%0.3732%0.324SS..  trans-73.8154.2171.7-69.4-177.8-75.6163.9-10.2111.7E170E170-R356 VanDerWaalsContact CD-CZ 3.49Å; E170-R356 WeakPolarHBondContact OE1-CD 3.24Å; E170-R356 IonicContact OE1-CZ 2.8Å; E170-R356 IonicContact OE1-NE 2.71Å; E170-R356 PolarHBondContact OE1-NE 3.11Å; E170-R356 VanDerWaalsContact OE1-NE 3.1Å; E170-R356 IonicContact OE1-NH1 2.92Å; E170-R356 PolarHBondContact OE1-NH1 3.42Å; E170-R356 IonicContact OE1-NH2 3.99Å; E170-R356 IonicContact OE2-CZ 3.5Å; E170-R356 IonicContact OE2-NH1 3.41Å; E170-R356 PolarHBondContact OE2-NH1 2.85Å; E170-R356 IonicContact OE2-NH2 3.73Å
357P97.6Very high96.7Very high1 Ų160 Ų601%0.00632%0.321CS..  trans-63.2144.8168.5-20.835.5000111.1L347 I351 A473 Q477L347-P357 HydrophobicContact CD2-CG 4.36Å; I351-P357 HydrophobicContact CD1-CB 3.69Å; I351-P357 HydrophobicContact CD1-CG 3.91Å; P357-A473 HydrophobicContact CB-CB 3.65Å; P357-A473 HydrophobicContact CG-CB 3.99Å; P357-Q477 VanDerWaalsContact CD-OE1 3.3Å; P357-Q477 HydrophobicContact CG-CB 4.17Å
358R97.2Very high96.7Very high119 Ų11960 Ų6045%0.44932%0.321SS..  trans-125163.7178-69.6-172.5179-160.2-2.6110E162 S360 D361E162-R358 WeakPolarHBondContact OE1-CA 3.4Å; E162-R358 WeakPolarHBondContact OE1-CB 3.29Å; R358-S360 PolarHBondContact O-N 3.29Å; R358-D361 PolarHBondContact N-OD2 2.67Å; R358-D361 WeakPolarHBondContact O-CB 3.41Å; R358-D361 PolarHBondContact O-N 3.09Å
359L96.2Very high96.8Very high26 Ų2658.8 Ų58.814%0.13631%0.314CS..G310 helixtrans-62.1-32.5177.4-17761.1000111.5E162 D361 R362 W466 F469 L470E162-L359 PolarHBondContact OE1-N 3.2Å; L359-D361 PolarHBondContact O-N 2.75Å; L359-R362 VanDerWaalsContact O-CB 3.24Å; L359-R362 WeakPolarHBondContact O-CB 3.44Å; L359-R362 PolarHBondContact O-N 2.73Å; L359-R362 VanDerWaalsContact O-N 3.14Å; L359-W466 HydrophobicContact CD1-CB 3.83Å; L359-W466 HydrophobicContact CD1-CD2 3.92Å; L359-W466 HydrophobicContact CD1-CG 3.58Å; L359-W466 HydrophobicContact CD2-CD2 3.54Å; L359-W466 HydrophobicContact CD2-CE3 3.37Å; L359-W466 HydrophobicContact CD2-CG 4.07Å; L359-W466 HydrophobicContact CD2-CH2 4.17Å; L359-W466 HydrophobicContact CD2-CZ2 4.33Å; L359-W466 HydrophobicContact CD2-CZ3 3.7Å; L359-W466 HydrophobicContact CG-CD2 4.33Å; L359-W466 HydrophobicContact CG-CG 4.47Å; L359-F469 HydrophobicContact CD1-CD1 4.31Å; L359-L470 HydrophobicContact CB-CD2 4.24Å
360S96.6Very high96.8Very high88 Ų8854.6 Ų54.662%0.61528%0.28SS*.G310 helixtrans-63.1-20.3174.9560000113.8R358 R362R358-S360 PolarHBondContact O-N 3.29Å; S360-R362 VanDerWaalsContact C-N 3.31Å
361D97.7Very high96.8Very high4 Ų452.1 Ų52.12%0.02127%0.265CS..G310 helixtrans-78.8-14.8177.1-59.4-44.2000112.7I351 R355 R358 L359 L363 Q364 L365I351-D361 HydrophobicContact CD1-CB 3.94Å; I351-D361 HydrophobicContact CG1-CB 4.37Å; R355-D361 IonicContact CZ-OD1 2.77Å; R355-D361 IonicContact CZ-OD2 4Å; R355-D361 IonicContact NH1-OD1 3.05Å; R355-D361 PolarHBondContact NH1-OD1 3.08Å; R355-D361 IonicContact NH1-OD2 3.35Å; R355-D361 PolarHBondContact NH1-OD2 3.12Å; R355-D361 IonicContact NH2-OD1 2.75Å; R355-D361 PolarHBondContact NH2-OD1 3.04Å; R355-D361 IonicContact NH2-OD2 3.52Å; R355-D361 PolarHBondContact NH2-OD2 3.43Å; R358-D361 PolarHBondContact N-OD2 2.67Å; R358-D361 WeakPolarHBondContact O-CB 3.41Å; R358-D361 PolarHBondContact O-N 3.09Å; L359-D361 PolarHBondContact O-N 2.75Å; D361-L363 VanDerWaalsContact C-N 3.28Å; D361-L363 PolarHBondContact O-N 3.13Å; D361-L363 VanDerWaalsContact O-N 3.13Å; D361-Q364 WeakPolarHBondContact O-CA 3.28Å; D361-Q364 WeakPolarHBondContact O-CB 3.39Å; D361-Q364 PolarHBondContact O-N 2.91Å; D361-L365 HydrophobicContact CB-CD1 4.41Å; D361-L365 PolarHBondContact O-N 3.3Å
362R96.9Very high96.9Very high46 Ų4651.3 Ų51.317%0.17426%0.261CS..G310 helixtrans-53.3-40.7-171.7-178.2175.8173.9-160-2.3114.4L359 S360 Q364 L365 E369 F469L359-R362 VanDerWaalsContact O-CB 3.24Å; L359-R362 WeakPolarHBondContact O-CB 3.44Å; L359-R362 PolarHBondContact O-N 2.73Å; L359-R362 VanDerWaalsContact O-N 3.14Å; S360-R362 VanDerWaalsContact C-N 3.31Å; R362-Q364 PolarHBondContact O-N 3.44Å; R362-L365 PolarHBondContact O-N 3.31Å; R362-E369 IonicContact CZ-OE1 2.88Å; R362-E369 IonicContact CZ-OE2 3.55Å; R362-E369 VanDerWaalsContact CZ-OE2 3.28Å; R362-E369 IonicContact NE-OE1 3.87Å; R362-E369 IonicContact NE-OE2 3.96Å; R362-E369 PolarHBondContact NE-OE2 3.26Å; R362-E369 IonicContact NH2-OE1 2.7Å; R362-E369 PolarHBondContact NH2-OE1 3.32Å; R362-E369 IonicContact NH2-OE2 3.63Å; R362-E369 PolarHBondContact NH2-OE2 3.49Å; R362-F469 HydrophobicContact CB-CD1 4.15Å; R362-F469 HydrophobicContact CB-CD2 4.25Å; R362-F469 HydrophobicContact CB-CE1 3.71Å; R362-F469 HydrophobicContact CB-CE2 3.79Å; R362-F469 HydrophobicContact CB-CG 4.42Å; R362-F469 HydrophobicContact CB-CZ 3.51Å; R362-F469 HydrophobicContact CG-CD1 4.32Å; R362-F469 HydrophobicContact CG-CD2 3.79Å; R362-F469 HydrophobicContact CG-CE1 4.28Å; R362-F469 HydrophobicContact CG-CE2 3.72Å; R362-F469 HydrophobicContact CG-CG 4.1Å; R362-F469 HydrophobicContact CG-CZ 3.99Å
363L95.3Very high97.1Very high157 Ų15750.8 Ų50.882%0.82225%0.253SS*.G310 helixtrans-69.7-17.1179.8-64.5179.6000113.2D361D361-L363 VanDerWaalsContact C-N 3.28Å; D361-L363 PolarHBondContact O-N 3.13Å; D361-L363 VanDerWaalsContact O-N 3.13Å
364Q97.8Very high97.3Very high111 Ų11143 Ų4352%0.51922%0.224SC..G310 helixtrans-99-0.8179.7-56.8174.15900112.4V350 D361 R362 P366V350-Q364 HydrophobicContact CG1-CB 3.65Å; D361-Q364 WeakPolarHBondContact O-CA 3.28Å; D361-Q364 WeakPolarHBondContact O-CB 3.39Å; D361-Q364 PolarHBondContact O-N 2.91Å; R362-Q364 PolarHBondContact O-N 3.44Å; Q364-P366 WeakPolarHBondContact O-CD 3.35Å
365L98.4Very high97.7Very high0 Ų038.9 Ų38.90%018%0.181CC..  trans-116.361.2177.5-58.2179.1000111.3E346 L347 V350 I351 D361 R362 Y367 L368 E369 F469E346-L365 HydrophobicContact CG-CD2 3.8Å; E346-L365 WeakPolarHBondContact OE2-CA 3.37Å; L347-L365 HydrophobicContact CD2-CD1 3.64Å; L347-L365 HydrophobicContact CD2-CD2 4.13Å; V350-L365 HydrophobicContact CB-CD2 3.89Å; V350-L365 HydrophobicContact CG1-CD2 4.01Å; V350-L365 HydrophobicContact CG2-CD2 4.18Å; I351-L365 HydrophobicContact CD1-CD1 3.97Å; I351-L365 HydrophobicContact CD1-CD2 4.31Å; D361-L365 HydrophobicContact CB-CD1 4.41Å; D361-L365 PolarHBondContact O-N 3.3Å; R362-L365 PolarHBondContact O-N 3.31Å; L365-Y367 VanDerWaalsContact C-N 3.29Å; L365-Y367 PolarHBondContact O-N 3.07Å; L365-L368 HydrophobicContact CB-CB 4.15Å; L365-L368 HydrophobicContact CD1-CD2 4.1Å; L365-L368 PolarHBondContact O-N 3.08Å; L365-E369 PolarHBondContact O-N 2.91Å; L365-E369 VanDerWaalsContact O-N 3.08Å; L365-F469 HydrophobicContact CB-CE2 4.24Å; L365-F469 HydrophobicContact CD1-CE2 3.86Å; L365-F469 HydrophobicContact CD1-CZ 3.7Å
366P98.3Very high97.8Very high13 Ų1334.2 Ų34.28%0.08416%0.164CC..Hα-helixtrans-61.4-32.7-175.728.6-39000113.3E346 Q364 A370 L433 T438 I440E346-P366 WeakPolarHBondContact OE1-CD 3.28Å; E346-P366 WeakPolarHBondContact OE1-CG 3.32Å; Q364-P366 WeakPolarHBondContact O-CD 3.35Å; P366-A370 WeakPolarHBondContact O-CB 3.37Å; P366-A370 PolarHBondContact O-N 3.16Å; P366-L433 HydrophobicContact CB-CD2 4.01Å; P366-T438 WeakPolarHBondContact CG-O 3.19Å; P366-I440 VanDerWaalsContact O-CD1 3.23Å; P366-I440 WeakPolarHBondContact O-CD1 3.41Å
367Y98.8Very high98Very high21 Ų2129.6 Ų29.68%0.08215%0.147CC..Hα-helixtrans-72.6-41.2-179.9-166.7-89.6000111.7I339 K342 I343 E346 L365 A370 F371 P429 E430 L433I339-Y367 HydrophobicContact CG2-CE1 4.1Å; K342-Y367 HydrophobicContact CB-CD1 3.9Å; K342-Y367 HydrophobicContact CB-CE1 3.38Å; K342-Y367 HydrophobicContact CB-CE2 4.29Å; K342-Y367 HydrophobicContact CD-CE1 4.14Å; K342-Y367 HydrophobicContact CD-CE2 3.85Å; K342-Y367 VanDerWaalsContact CD-CZ 3.46Å; K342-Y367 WeakPolarHBondContact CD-OH 3.27Å; K342-Y367 HydrophobicContact CG-CE1 4.43Å; I343-Y367 HydrophobicContact CB-CD1 4.48Å; I343-Y367 HydrophobicContact CG1-CD1 3.59Å; I343-Y367 HydrophobicContact CG1-CE1 3.77Å; E346-Y367 WeakPolarHBondContact OE1-CB 3.32Å; E346-Y367 PolarHBondContact OE1-N 3.43Å; E346-Y367 WeakPolarHBondContact OE2-CB 3.29Å; E346-Y367 PolarHBondContact OE2-N 2.73Å; L365-Y367 VanDerWaalsContact C-N 3.29Å; L365-Y367 PolarHBondContact O-N 3.07Å; Y367-A370 PolarHBondContact O-N 2.83Å; Y367-F371 WeakPolarHBondContact O-CB 3.24Å; Y367-F371 PolarHBondContact O-N 3.24Å; Y367-P429 HydrophobicContact CE2-CB 4.49Å; Y367-E430 HydrophobicContact CE2-CG 4.32Å; Y367-E430 PolarHBondContact OH-OE1 3.39Å; Y367-L433 HydrophobicContact CD2-CD1 3.92Å; Y367-L433 HydrophobicContact CE2-CD1 4.45Å
368L98.8Very high98.1Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-60.7-45.5171.3176.356.1000111.6I343 E346 L365 A370 F371 I372 F469 L472 A473I343-L368 HydrophobicContact CD1-CD1 4.37Å; I343-L368 HydrophobicContact CG2-CB 4.27Å; I343-L368 HydrophobicContact CG2-CD1 3.98Å; E346-L368 PolarHBondContact OE2-N 2.65Å; L365-L368 HydrophobicContact CB-CB 4.15Å; L365-L368 HydrophobicContact CD1-CD2 4.1Å; L365-L368 PolarHBondContact O-N 3.08Å; L368-A370 VanDerWaalsContact C-N 3.34Å; L368-A370 PolarHBondContact O-N 3.1Å; L368-F371 HydrophobicContact CD1-CD1 4.31Å; L368-F371 WeakPolarHBondContact O-CB 3.25Å; L368-F371 PolarHBondContact O-N 2.94Å; L368-I372 HydrophobicContact CD1-CD1 4.19Å; L368-I372 HydrophobicContact CD1-CG1 4.4Å; L368-I372 HydrophobicContact CG-CD1 4.2Å; L368-I372 WeakPolarHBondContact O-CG1 3.27Å; L368-I372 PolarHBondContact O-N 2.96Å; L368-F469 HydrophobicContact CD2-CD2 3.88Å; L368-F469 HydrophobicContact CD2-CE2 3.68Å; L368-F469 HydrophobicContact CD2-CZ 4.49Å; L368-F469 HydrophobicContact CG-CD2 4.2Å; L368-F469 HydrophobicContact CG-CE2 4.25Å; L368-L472 HydrophobicContact CD1-CB 4.08Å; L368-L472 HydrophobicContact CD1-CD1 4.5Å; L368-A473 HydrophobicContact CD2-CB 3.7Å
369E98.6Very high98.2Very high21 Ų2126 Ų2610%0.09814%0.135CC..Hα-helixtrans-61.6-43.1176.5179.667.2-164.400111.2R362 L365 F371 I372 L373 I440R362-E369 IonicContact CZ-OE1 2.88Å; R362-E369 IonicContact CZ-OE2 3.55Å; R362-E369 VanDerWaalsContact CZ-OE2 3.28Å; R362-E369 IonicContact NE-OE1 3.87Å; R362-E369 IonicContact NE-OE2 3.96Å; R362-E369 PolarHBondContact NE-OE2 3.26Å; R362-E369 IonicContact NH2-OE1 2.7Å; R362-E369 PolarHBondContact NH2-OE1 3.32Å; R362-E369 IonicContact NH2-OE2 3.63Å; R362-E369 PolarHBondContact NH2-OE2 3.49Å; L365-E369 PolarHBondContact O-N 2.91Å; L365-E369 VanDerWaalsContact O-N 3.08Å; E369-F371 VanDerWaalsContact C-N 3.3Å; E369-F371 PolarHBondContact O-N 3.46Å; E369-I372 PolarHBondContact O-N 3.32Å; E369-L373 HydrophobicContact CG-CD1 4.23Å; E369-L373 VanDerWaalsContact O-CG 3.28Å; E369-L373 WeakPolarHBondContact O-CG 3.28Å; E369-L373 PolarHBondContact O-N 3.25Å; E369-I440 HydrophobicContact CB-CD1 3.94Å; E369-I440 HydrophobicContact CB-CG1 4.07Å; E369-I440 HydrophobicContact CG-CD1 3.8Å; E369-I440 HydrophobicContact CG-CG1 3.64Å
370A98.8Very high98.3Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-62.1-37.3176.800000112.3P366 Y367 L368 L373 E374 P429 F432 L433 I440P366-A370 WeakPolarHBondContact O-CB 3.37Å; P366-A370 PolarHBondContact O-N 3.16Å; Y367-A370 PolarHBondContact O-N 2.83Å; L368-A370 VanDerWaalsContact C-N 3.34Å; L368-A370 PolarHBondContact O-N 3.1Å; A370-L373 PolarHBondContact O-N 3.39Å; A370-E374 WeakPolarHBondContact O-CB 3.3Å; A370-E374 PolarHBondContact O-N 3.14Å; A370-P429 HydrophobicContact CB-CB 4.36Å; A370-P429 WeakPolarHBondContact CB-O 3.28Å; A370-F432 HydrophobicContact CB-CB 3.97Å; A370-L433 HydrophobicContact CB-CD2 3.8Å; A370-L433 HydrophobicContact CB-CG 4.12Å; A370-I440 HydrophobicContact CB-CD1 3.8Å
371F98.9Very high98.4Very high0 Ų020.9 Ų20.90%010%0.101CC..Hα-helixtrans-64.5-41.9173.9166.2-96.8000112.6S329 L333 I339 I343 Y367 L368 E369 E374 T375 F427 P429 L472S329-F371 WeakPolarHBondContact O-CZ 3.46Å; L333-F371 HydrophobicContact CD1-CE1 4.15Å; L333-F371 HydrophobicContact CD1-CZ 3.89Å; L333-F371 HydrophobicContact CD2-CD2 4.46Å; L333-F371 HydrophobicContact CD2-CE1 4.28Å; L333-F371 HydrophobicContact CD2-CE2 3.81Å; L333-F371 HydrophobicContact CD2-CZ 3.73Å; L333-F371 HydrophobicContact CG-CE1 4.24Å; L333-F371 HydrophobicContact CG-CE2 3.98Å; L333-F371 HydrophobicContact CG-CZ 3.53Å; I339-F371 HydrophobicContact CG2-CD2 3.63Å; I339-F371 HydrophobicContact CG2-CE2 4.14Å; I339-F371 HydrophobicContact CG2-CG 4.48Å; I343-F371 HydrophobicContact CD1-CB 3.94Å; I343-F371 HydrophobicContact CD1-CD1 3.81Å; I343-F371 HydrophobicContact CD1-CD2 4.06Å; I343-F371 HydrophobicContact CD1-CE1 4.37Å; I343-F371 HydrophobicContact CD1-CG 3.64Å; Y367-F371 WeakPolarHBondContact O-CB 3.24Å; Y367-F371 PolarHBondContact O-N 3.24Å; L368-F371 HydrophobicContact CD1-CD1 4.31Å; L368-F371 WeakPolarHBondContact O-CB 3.25Å; L368-F371 PolarHBondContact O-N 2.94Å; E369-F371 VanDerWaalsContact C-N 3.3Å; E369-F371 PolarHBondContact O-N 3.46Å; F371-E374 PolarHBondContact O-N 2.94Å; F371-T375 WeakPolarHBondContact O-CB 3.33Å; F371-T375 PolarHBondContact O-N 3.49Å; F371-T375 PolarHBondContact O-OG1 2.96Å; F371-F427 AromaticContact CD2-CE1 3.89Å; F371-F427 HydrophobicContact CD2-CE1 3.89Å; F371-F427 AromaticContact CD2-CZ 3.73Å; F371-F427 HydrophobicContact CD2-CZ 3.73Å; F371-F427 AromaticContact CE2-CE1 3.89Å; F371-F427 HydrophobicContact CE2-CE1 3.89Å; F371-F427 AromaticContact CE2-CZ 3.58Å; F371-F427 HydrophobicContact CE2-CZ 3.58Å; F371-P429 HydrophobicContact CB-CB 4.33Å; F371-P429 HydrophobicContact CB-CG 4.25Å; F371-P429 HydrophobicContact CD2-CG 4.21Å; F371-L472 HydrophobicContact CD1-CD1 4.35Å; F371-L472 HydrophobicContact CE1-CD1 3.95Å
372I98.9Very high98.4Very high2 Ų221.8 Ų21.81%0.0111%0.106CC..Hα-helixtrans-64.5-45.4176.7-67.4166000110.1L368 E369 E374 T375 F376 V468 F469 L472L368-I372 HydrophobicContact CD1-CD1 4.19Å; L368-I372 HydrophobicContact CD1-CG1 4.4Å; L368-I372 HydrophobicContact CG-CD1 4.2Å; L368-I372 WeakPolarHBondContact O-CG1 3.27Å; L368-I372 PolarHBondContact O-N 2.96Å; E369-I372 PolarHBondContact O-N 3.32Å; I372-E374 VanDerWaalsContact C-N 3.34Å; I372-E374 PolarHBondContact O-N 3.36Å; I372-T375 WeakPolarHBondContact O-CB 3.47Å; I372-T375 PolarHBondContact O-N 3.3Å; I372-F376 HydrophobicContact CG2-CD2 4.29Å; I372-F376 HydrophobicContact CG2-CE1 3.97Å; I372-F376 HydrophobicContact CG2-CE2 3.69Å; I372-F376 HydrophobicContact CG2-CZ 3.51Å; I372-F376 WeakPolarHBondContact O-CG 3.46Å; I372-F376 PolarHBondContact O-N 3.03Å; I372-V468 HydrophobicContact CD1-CG1 4.26Å; I372-V468 HydrophobicContact CG1-CG1 4.14Å; I372-V468 HydrophobicContact CG2-CG1 3.95Å; I372-F469 HydrophobicContact CD1-CB 3.93Å; I372-F469 HydrophobicContact CD1-CD2 4.23Å; I372-L472 HydrophobicContact CD1-CD1 4.1Å; I372-L472 HydrophobicContact CG1-CD1 3.71Å
373L98.8Very high98.5Very high8 Ų819.6 Ų19.64%0.04210%0.098CC..Hα-helixtrans-59.7-43.4176.3-68.7172.8000111.6E369 A370 F376 R377 F432 I440 I448E369-L373 HydrophobicContact CG-CD1 4.23Å; E369-L373 VanDerWaalsContact O-CG 3.28Å; E369-L373 WeakPolarHBondContact O-CG 3.28Å; E369-L373 PolarHBondContact O-N 3.25Å; A370-L373 PolarHBondContact O-N 3.39Å; L373-F376 WeakPolarHBondContact O-CB 3.28Å; L373-F376 PolarHBondContact O-N 2.99Å; L373-R377 PolarHBondContact O-N 3.36Å; L373-F432 HydrophobicContact CB-CD1 4.38Å; L373-F432 HydrophobicContact CB-CD2 3.67Å; L373-F432 HydrophobicContact CB-CE2 3.85Å; L373-F432 HydrophobicContact CB-CG 3.96Å; L373-F432 HydrophobicContact CB-CZ 4.3Å; L373-F432 HydrophobicContact CD1-CB 4.14Å; L373-F432 HydrophobicContact CD1-CD1 4.28Å; L373-F432 HydrophobicContact CD1-CG 4.12Å; L373-I440 HydrophobicContact CD1-CD1 4.2Å; L373-I440 HydrophobicContact CD1-CG2 3.94Å; L373-I448 HydrophobicContact CB-CD1 3.76Å; L373-I448 HydrophobicContact CD2-CD1 3.75Å; L373-I448 HydrophobicContact CG-CD1 4.3Å; L373-I448 WeakPolarHBondContact O-CD1 3.47Å
374E98.9Very high98.7Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-68.7-34.1176.5-173.367.2164.900112.8A370 F371 I372 F376 R377 H378 F427 R428 P429 R431 F432A370-E374 WeakPolarHBondContact O-CB 3.3Å; A370-E374 PolarHBondContact O-N 3.14Å; F371-E374 PolarHBondContact O-N 2.94Å; I372-E374 VanDerWaalsContact C-N 3.34Å; I372-E374 PolarHBondContact O-N 3.36Å; E374-F376 VanDerWaalsContact C-N 3.35Å; E374-F376 PolarHBondContact O-N 2.83Å; E374-R377 PolarHBondContact O-N 2.89Å; E374-R377 IonicContact OE1-CZ 3.12Å; E374-R377 IonicContact OE1-NE 2.73Å; E374-R377 IonicContact OE1-NH2 2.81Å; E374-R377 PolarHBondContact OE1-NH2 3.23Å; E374-R377 IonicContact OE2-CZ 3.39Å; E374-R377 IonicContact OE2-NE 3.01Å; E374-R377 PolarHBondContact OE2-NE 3.32Å; E374-R377 IonicContact OE2-NH2 3.01Å; E374-H378 WeakPolarHBondContact O-CB 3.04Å; E374-H378 PolarHBondContact O-N 3.22Å; E374-F427 HydrophobicContact CB-CE2 4.26Å; E374-F427 HydrophobicContact CB-CZ 4.27Å; E374-F427 HydrophobicContact CG-CD1 4.26Å; E374-F427 HydrophobicContact CG-CD2 3.76Å; E374-F427 HydrophobicContact CG-CE1 4.29Å; E374-F427 HydrophobicContact CG-CE2 3.78Å; E374-F427 HydrophobicContact CG-CG 4Å; E374-F427 HydrophobicContact CG-CZ 4.04Å; E374-F427 WeakPolarHBondContact OE1-CA 3.38Å; E374-R428 PolarHBondContact OE1-N 3.28Å; E374-P429 HydrophobicContact CB-CG 4.36Å; E374-R431 IonicContact OE1-CZ 3.02Å; E374-R431 IonicContact OE1-NE 3.85Å; E374-R431 PolarHBondContact OE1-NE 3.08Å; E374-R431 IonicContact OE1-NH2 3.76Å; E374-R431 WeakPolarHBondContact OE2-CD 3.45Å; E374-R431 IonicContact OE2-NE 2.64Å; E374-R431 PolarHBondContact OE2-NE 3Å; E374-R431 VanDerWaalsContact OE2-NE 3.12Å; E374-F432 HydrophobicContact CB-CD2 4.2Å; E374-F432 HydrophobicContact CB-CE2 4.02Å; E374-F432 VanDerWaalsContact OE2-CE2 3.27Å; E374-F432 WeakPolarHBondContact OE2-CE2 3.27Å
375T98.9Very high98.7Very high0 Ų07.5 Ų7.50%04%0.038CC..Hα-helixtrans-60-45.6170.6-60.40000111.3W328 Y332 F371 I372 S379W328-T375 HydrophobicContact CB-CG2 4.01Å; Y332-T375 HydrophobicContact CD2-CG2 4.02Å; Y332-T375 HydrophobicContact CE2-CG2 4.08Å; F371-T375 WeakPolarHBondContact O-CB 3.33Å; F371-T375 PolarHBondContact O-N 3.49Å; F371-T375 PolarHBondContact O-OG1 2.96Å; I372-T375 WeakPolarHBondContact O-CB 3.47Å; I372-T375 PolarHBondContact O-N 3.3Å; T375-S379 WeakPolarHBondContact O-CB 3.45Å; T375-S379 PolarHBondContact O-N 2.97Å; T375-S379 VanDerWaalsContact O-N 3.15Å; T375-S379 PolarHBondContact O-OG 3.37Å
376F98.8Very high98.7Very high4 Ų49 Ų92%0.0185%0.046CC..Hα-helixtrans-62.9-46.6177-68.4-8.2000112.4A325 I372 L373 E374 S380 F381 I448 L450 F451 K465 V468A325-F376 HydrophobicContact CB-CE1 3.99Å; I372-F376 HydrophobicContact CG2-CD2 4.29Å; I372-F376 HydrophobicContact CG2-CE1 3.97Å; I372-F376 HydrophobicContact CG2-CE2 3.69Å; I372-F376 HydrophobicContact CG2-CZ 3.51Å; I372-F376 WeakPolarHBondContact O-CG 3.46Å; I372-F376 PolarHBondContact O-N 3.03Å; L373-F376 WeakPolarHBondContact O-CB 3.28Å; L373-F376 PolarHBondContact O-N 2.99Å; E374-F376 VanDerWaalsContact C-N 3.35Å; E374-F376 PolarHBondContact O-N 2.83Å; F376-S380 WeakPolarHBondContact O-CA 3.22Å; F376-S380 PolarHBondContact O-N 3.14Å; F376-S380 VanDerWaalsContact O-N 3.11Å; F376-F381 AromaticContact CD1-CE1 3.94Å; F376-F381 HydrophobicContact CD1-CE1 3.94Å; F376-F381 HydrophobicContact CE1-CE1 4.28Å; F376-I448 HydrophobicContact CB-CG2 4.28Å; F376-L450 HydrophobicContact CB-CD2 3.7Å; F376-L450 HydrophobicContact CD1-CD2 3.79Å; F376-L450 HydrophobicContact CD2-CD2 4.1Å; F376-L450 HydrophobicContact CE1-CD2 4.45Å; F376-L450 HydrophobicContact CG-CD2 3.58Å; F376-F451 HydrophobicContact CD2-CE2 4.15Å; F376-F451 HydrophobicContact CD2-CZ 4.48Å; F376-F451 HydrophobicContact CE2-CE2 4.07Å; F376-F451 HydrophobicContact CE2-CZ 4.03Å; F376-F451 HydrophobicContact CZ-CZ 4.43Å; F376-K465 HydrophobicContact CE2-CG 4.14Å; F376-V468 HydrophobicContact CZ-CG2 4.46Å
377R98.8Very high98.8Very high0 Ų08.5 Ų8.50%04%0.042CC..Hα-helixtrans-66.3-57.5-179.7-172.2-153.364.779-5.5111.4L373 E374 S380 N415 H416 W421 P424 E426 F432 I448L373-R377 PolarHBondContact O-N 3.36Å; E374-R377 PolarHBondContact O-N 2.89Å; E374-R377 IonicContact OE1-CZ 3.12Å; E374-R377 IonicContact OE1-NE 2.73Å; E374-R377 IonicContact OE1-NH2 2.81Å; E374-R377 PolarHBondContact OE1-NH2 3.23Å; E374-R377 IonicContact OE2-CZ 3.39Å; E374-R377 IonicContact OE2-NE 3.01Å; E374-R377 PolarHBondContact OE2-NE 3.32Å; E374-R377 IonicContact OE2-NH2 3.01Å; R377-S380 PolarHBondContact O-N 2.89Å; R377-S380 PolarHBondContact O-OG 3.43Å; R377-N415 HydrophobicContact CG-CB 3.85Å; R377-N415 WeakPolarHBondContact CG-O 3.48Å; R377-N415 PolarHBondContact NH1-O 3.21Å; R377-N415 WeakPolarHBondContact O-CB 3.35Å; R377-H416 PolarHBondContact O-CE1 2.87Å; R377-H416 VanDerWaalsContact O-CE1 3.31Å; R377-W421 VanDerWaalsContact CD-CD2 3.46Å; R377-W421 VanDerWaalsContact CD-CE3 3.41Å; R377-W421 HydrophobicContact CG-CD2 4.32Å; R377-W421 HydrophobicContact CG-CH2 4.21Å; R377-W421 HydrophobicContact CG-CZ2 4Å; R377-W421 HydrophobicContact CG-CZ3 4.45Å; R377-P424 PolarHBondContact NH1-O 3.36Å; R377-P424 PolarHBondContact NH2-O 3.13Å; R377-E426 PolarHBondContact NH2-O 2.97Å; R377-E426 VanDerWaalsContact NH2-O 3.08Å; R377-F432 HydrophobicContact CB-CZ 4.31Å; R377-I448 HydrophobicContact CB-CD1 4.42Å; R377-I448 HydrophobicContact CB-CG1 4.33Å; R377-I448 HydrophobicContact CB-CG2 4.48Å
378H98.8Very high98.8Very high44 Ų447.8 Ų7.820%0.2044%0.039CC..Hα-helixtrans-68.9-45.8-170.2-176.4-82.2000112.5Y332 E374 S380 H416 S425 F427Y332-H378 AromaticContact CE1-CE1 3.97Å; Y332-H378 AromaticContact CE1-ND1 3.57Å; Y332-H378 AromaticContact CZ-ND1 3.43Å; Y332-H378 PolarHBondContact OH-ND1 2.99Å; E374-H378 WeakPolarHBondContact O-CB 3.04Å; E374-H378 PolarHBondContact O-N 3.22Å; H378-S380 VanDerWaalsContact C-N 3.29Å; H378-S380 PolarHBondContact O-N 3.1Å; H378-H416 PolarHBondContact O-CE1 3.43Å; H378-H416 PolarHBondContact O-NE2 3.09Å; H378-H416 VanDerWaalsContact O-NE2 3.17Å; H378-S425 PolarHBondContact NE2-O 3.34Å; H378-S425 VanDerWaalsContact NE2-O 3.1Å; H378-F427 HydrophobicContact CB-CD2 3.78Å; H378-F427 HydrophobicContact CB-CE2 4.42Å; H378-F427 AromaticContact CG-CD2 3.85Å
379S98.6Very high98.8Very high1 Ų18.2 Ų8.21%0.0074%0.042CC..Hα-helixtrans-67.9-35.3174.868.10000111.3T375 F381 M499T375-S379 WeakPolarHBondContact O-CB 3.45Å; T375-S379 PolarHBondContact O-N 2.97Å; T375-S379 VanDerWaalsContact O-N 3.15Å; T375-S379 PolarHBondContact O-OG 3.37Å; S379-F381 PolarHBondContact O-N 2.9Å; S379-F381 WeakPolarHBondContact OG-CD1 3.46Å; S379-F381 PolarHBondContact OG-N 3Å; S379-M499 VanDerWaalsContact O-CE 3.28Å; S379-M499 WeakPolarHBondContact O-CE 3.37Å
380S98.7Very high98.8Very high0 Ų07.2 Ų7.20%04%0.038CC..  trans42.842.7-170.9-78.60000111.1F376 R377 H378 V382 P383 W412 N415 M499F376-S380 WeakPolarHBondContact O-CA 3.22Å; F376-S380 PolarHBondContact O-N 3.14Å; F376-S380 VanDerWaalsContact O-N 3.11Å; R377-S380 PolarHBondContact O-N 2.89Å; R377-S380 PolarHBondContact O-OG 3.43Å; H378-S380 VanDerWaalsContact C-N 3.29Å; H378-S380 PolarHBondContact O-N 3.1Å; S380-V382 CarbonylContact O-C 3.54Å; S380-V382 VanDerWaalsContact O-C 3.23Å; S380-V382 PolarHBondContact O-N 2.86Å; S380-P383 WeakPolarHBondContact O-CA 3.27Å; S380-P383 VanDerWaalsContact O-N 3.1Å; S380-W412 VanDerWaalsContact CB-CD1 3.44Å; S380-N415 WeakPolarHBondContact OG-CB 3.32Å; S380-N415 PolarHBondContact OG-ND2 3.48Å; S380-M499 VanDerWaalsContact O-CE 3.26Å; S380-M499 WeakPolarHBondContact O-CE 3.42Å
381F98.6Very high98.8Very high7 Ų79 Ų93%0.0315%0.049CC..SBendtrans-60.6-12-166.169.5-96.7000113.1T324 A325 F376 S379 P383 L450 T498 M499T324-F381 HydrophobicContact CG2-CB 3.95Å; T324-F381 HydrophobicContact CG2-CD2 3.6Å; T324-F381 HydrophobicContact CG2-CE2 4.29Å; T324-F381 HydrophobicContact CG2-CG 3.84Å; A325-F381 HydrophobicContact CB-CE1 3.84Å; A325-F381 HydrophobicContact CB-CZ 3.82Å; F376-F381 AromaticContact CD1-CE1 3.94Å; F376-F381 HydrophobicContact CD1-CE1 3.94Å; F376-F381 HydrophobicContact CE1-CE1 4.28Å; S379-F381 PolarHBondContact O-N 2.9Å; S379-F381 WeakPolarHBondContact OG-CD1 3.46Å; S379-F381 PolarHBondContact OG-N 3Å; F381-P383 VanDerWaalsContact O-CD 3.28Å; F381-P383 WeakPolarHBondContact O-CD 3.34Å; F381-L450 HydrophobicContact CD1-CD1 4.36Å; F381-L450 HydrophobicContact CD1-CD2 4.35Å; F381-L450 HydrophobicContact CE1-CD1 4.31Å; F381-L450 HydrophobicContact CE1-CD2 3.58Å; F381-L450 HydrophobicContact CZ-CD2 3.8Å; F381-T498 HydrophobicContact CD2-CG2 4.47Å; F381-T498 CarbonylContact O-C 3.22Å; F381-T498 WeakPolarHBondContact O-CA 3.48Å; F381-M499 PolarHBondContact O-N 2.9Å
382V98.6Very high98.7Very high22 Ų2216 Ų1613%0.1338%0.075CC..SBendtrans-10782.1162-172.50000108.3S380 F384 Q411 L450 T498S380-V382 CarbonylContact O-C 3.54Å; S380-V382 VanDerWaalsContact O-C 3.23Å; S380-V382 PolarHBondContact O-N 2.86Å; V382-F384 VanDerWaalsContact C-N 3.31Å; V382-F384 VanDerWaalsContact CG1-O 3.25Å; V382-F384 WeakPolarHBondContact CG1-O 3.45Å; V382-F384 PolarHBondContact O-N 2.94Å; V382-Q411 PolarHBondContact O-NE2 3.01Å; V382-L450 HydrophobicContact CB-CD1 3.79Å; V382-L450 HydrophobicContact CG2-CD1 4.07Å; V382-T498 HydrophobicContact CG2-CG2 4.2Å
383P98.6Very high98.7Very high1 Ų120.3 Ų20.31%0.00610%0.099CC..  trans-71.1-28.4-165.927.9-37000112.8H62 S380 F381 Q411 W412 Y495 M499H62-P383 HydrophobicContact CB-CB 3.8Å; S380-P383 WeakPolarHBondContact O-CA 3.27Å; S380-P383 VanDerWaalsContact O-N 3.1Å; F381-P383 VanDerWaalsContact O-CD 3.28Å; F381-P383 WeakPolarHBondContact O-CD 3.34Å; P383-Q411 PolarHBondContact O-N 2.95Å; P383-W412 HydrophobicContact CB-CB 3.96Å; P383-W412 PolarHBondContact O-N 3.06Å; P383-Y495 HydrophobicContact CG-CD2 4.23Å; P383-Y495 HydrophobicContact CG-CE2 3.9Å; P383-M499 HydrophobicContact CB-CE 3.89Å; P383-M499 HydrophobicContact CB-SD 4.03Å; P383-M499 HydrophobicContact CG-CE 4.07Å; P383-M499 HydrophobicContact CG-CG 3.78Å; P383-M499 HydrophobicContact CG-SD 3.75Å
384F98.9Very high98.6Very high4 Ų420.7 Ų20.72%0.01810%0.101CC..BIsolated β-bridgetrans-122.7152.1168.6-63.8-82.3000109.4P61 H62 L65 V382 F408 I409 N410 Y495P61-F384 HydrophobicContact CB-CE2 4.12Å; P61-F384 HydrophobicContact CB-CZ 4.4Å; H62-F384 VanDerWaalsContact CA-CZ 3.43Å; H62-F384 HydrophobicContact CB-CD2 4.41Å; H62-F384 HydrophobicContact CB-CE2 3.61Å; H62-F384 HydrophobicContact CB-CZ 3.85Å; L65-F384 HydrophobicContact CB-CZ 4.48Å; L65-F384 HydrophobicContact CD1-CE1 3.91Å; L65-F384 HydrophobicContact CD1-CZ 3.7Å; V382-F384 VanDerWaalsContact C-N 3.31Å; V382-F384 VanDerWaalsContact CG1-O 3.25Å; V382-F384 WeakPolarHBondContact CG1-O 3.45Å; V382-F384 PolarHBondContact O-N 2.94Å; F384-F408 HydrophobicContact CD1-CB 4.15Å; F384-F408 HydrophobicContact CE1-CB 4.34Å; F384-I409 VanDerWaalsContact CA-O 3.22Å; F384-I409 WeakPolarHBondContact CA-O 3.31Å; F384-I409 WeakPolarHBondContact CD1-O 3.09Å; F384-N410 HydrophobicContact CD1-CB 4.07Å; F384-N410 HydrophobicContact CE1-CB 3.72Å; F384-Y495 HydrophobicContact CD2-CE2 4.07Å; F384-Y495 WeakPolarHBondContact CD2-OH 3.01Å; F384-Y495 AromaticContact CE2-CE2 3.99Å; F384-Y495 HydrophobicContact CE2-CE2 3.99Å; F384-Y495 WeakPolarHBondContact CE2-OH 3.47Å
385T98.8Very high98.5Very high10 Ų1023.2 Ų23.26%0.06112%0.116CC..PPolyproline II helixtrans-62163.2158.2690000109.2H388 I409 Q411 M449T385-H388 PolarHBondContact OG1-CD2 2.66Å; T385-H388 PolarHBondContact OG1-NE2 2.85Å; T385-I409 HydrophobicContact CG2-CB 3.85Å; T385-I409 HydrophobicContact CG2-CG1 4.38Å; T385-I409 HydrophobicContact CG2-CG2 4.03Å; T385-I409 PolarHBondContact N-O 3.49Å; T385-I409 WeakPolarHBondContact OG1-CB 3.26Å; T385-I409 WeakPolarHBondContact OG1-CG1 3.47Å; T385-Q411 HydrophobicContact CG2-CG 3.91Å; T385-M449 HydrophobicContact CG2-CE 4.22Å
386I98.6Very high98.5Very high32 Ų3223.2 Ų23.216%0.16412%0.116CC..SBendtrans-51.6135.4160.9-62.5168.8000107.5R108 F114 F125 H388 L497R108-I386 PolarHBondContact NH1-O 3.04Å; F114-I386 HydrophobicContact CE2-CG2 4.19Å; F114-I386 HydrophobicContact CZ-CG2 4.06Å; F125-I386 HydrophobicContact CD1-CD1 4.33Å; F125-I386 HydrophobicContact CD1-CG2 3.95Å; F125-I386 HydrophobicContact CE1-CD1 3.71Å; F125-I386 HydrophobicContact CE1-CG1 3.91Å; F125-I386 HydrophobicContact CE1-CG2 3.92Å; F125-I386 HydrophobicContact CE2-CD1 4.19Å; F125-I386 HydrophobicContact CZ-CD1 3.62Å; F125-I386 HydrophobicContact CZ-CG1 4.17Å; I386-H388 PolarHBondContact O-CD2 3.47Å; I386-H388 PolarHBondContact O-N 3.34Å; I386-L497 HydrophobicContact CG1-CD1 3.9Å
387P98.7Very high98.3Very high1 Ų127.3 Ų27.31%0.00614%0.139CC..PPolyproline II helixtrans-47.3136.7179.3-3235.3000113.4R108 P109 L111 F114 S232 F408R108-P387 WeakPolarHBondContact CD-O 3.48Å; R108-P387 PolarHBondContact NH1-O 3.19Å; P109-P387 WeakPolarHBondContact CD-O 3.41Å; P109-P387 HydrophobicContact CG-CB 3.64Å; L111-P387 HydrophobicContact CD1-CG 4.33Å; F114-P387 HydrophobicContact CZ-CG 4.3Å; S232-P387 WeakPolarHBondContact OG-CG 3.32Å; P387-F408 HydrophobicContact CB-CD1 4.1Å; P387-F408 HydrophobicContact CB-CE1 4Å; P387-F408 HydrophobicContact CG-CD1 4.06Å; P387-F408 HydrophobicContact CG-CE1 3.77Å
388H98.9Very high98.1Very high6 Ų629.5 Ų29.53%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-98.3166.2174.4-76-117.1000110.2F105 G107 T385 I386 V407F105-H388 PolarHBondContact O-ND1 3.11Å; G107-H388 CarbonylContact O-C 3.41Å; G107-H388 WeakPolarHBondContact O-CA 3.18Å; T385-H388 PolarHBondContact OG1-CD2 2.66Å; T385-H388 PolarHBondContact OG1-NE2 2.85Å; I386-H388 PolarHBondContact O-CD2 3.47Å; I386-H388 PolarHBondContact O-N 3.34Å; H388-V407 HydrophobicContact CB-CB 4Å; H388-V407 PolarHBondContact N-O 2.98Å; H388-V407 PolarHBondContact O-N 3.01Å
389S98.8Very high98Very high9 Ų929.7 Ų29.76%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-138.1142.6170-1780000110.2G107 R108 C405G107-S389 WeakPolarHBondContact CA-O 3.15Å; G107-S389 PolarHBondContact N-O 2.94Å; G107-S389 PolarHBondContact O-N 2.61Å; R108-S389 VanDerWaalsContact C-CB 3.46Å; S389-C405 VanDerWaalsContact CA-O 3.26Å; S389-C405 WeakPolarHBondContact CA-O 3.38Å
390T98.8Very high98Very high1 Ų131 Ų311%0.00617%0.167CC..  trans-71.6132.3174510000110.9D104 F105 T394 I401 P402 R403 E404 C405 V407D104-T390 CarbonylContact O-C 3.5Å; D104-T390 WeakPolarHBondContact O-CA 3.45Å; F105-T390 HydrophobicContact CD1-CG2 3.95Å; F105-T390 HydrophobicContact CE1-CG2 3.75Å; F105-T390 HydrophobicContact CZ-CG2 4.3Å; T390-T394 HydrophobicContact CG2-CG2 4.29Å; T390-I401 HydrophobicContact CG2-CG2 3.64Å; T390-P402 PolarHBondContact OG1-O 2.77Å; T390-R403 WeakPolarHBondContact OG1-CA 3.31Å; T390-E404 WeakPolarHBondContact O-CA 3.49Å; T390-E404 PolarHBondContact O-N 2.96Å; T390-E404 PolarHBondContact OG1-N 3.43Å; T390-E404 VanDerWaalsContact OG1-N 3.11Å; T390-C405 HydrophobicContact CG2-CB 4.33Å; T390-C405 PolarHBondContact N-O 3.12Å; T390-C405 VanDerWaalsContact N-O 3.12Å; T390-C405 WeakPolarHBondContact OG1-CB 3.39Å; T390-C405 PolarHBondContact OG1-N 3.43Å; T390-V407 HydrophobicContact CG2-CG2 4.22Å
391T98.5Very high97.9Very high38 Ų3831.1 Ų31.123%0.23317%0.167CC..SBendtrans-86.6-14.4-17867.20000113D103 D104 K106D103-T391 PolarHBondContact O-OG1 3.39Å; D104-T391 PolarHBondContact O-N 2.91Å; D104-T391 PolarHBondContact O-OG1 2.93Å; K106-T391 HydrophobicContact CG-CG2 3.96Å
392R97.8Very high97.9Very high145 Ų14532 Ų3255%0.54717%0.174SC..SBendtrans-157.6166.6179.963.2-177.272.1-176.80.8109.7D104 T394D104-R392 WeakPolarHBondContact OD1-CD 3.26Å; D104-R392 IonicContact OD1-NE 3.84Å; R392-T394 PolarHBondContact O-N 2.75Å
393D97.9Very high97.8Very high94 Ų9437.8 Ų37.850%0.50319%0.193SC..  trans-60.1133.1167.6-64-14.2000109.1Y400 P402 R403D393-Y400 HydrophobicContact CB-CE2 3.98Å; D393-Y400 PolarHBondContact OD1-OH 2.92Å; D393-Y400 PolarHBondContact OD2-OH 2.87Å; D393-P402 WeakPolarHBondContact OD1-CA 3.32Å; D393-R403 WeakPolarHBondContact OD1-CB 3.1Å; D393-R403 PolarHBondContact OD1-N 3.4Å
394T97.9Very high97.7Very high15 Ų1544 Ų449%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-144.9174.1-177.9-1670000111Q101 D104 F105 T390 R392 I401Q101-T394 PolarHBondContact NE2-OG1 2.76Å; Q101-T394 VanDerWaalsContact NE2-OG1 3.1Å; D104-T394 HydrophobicContact CB-CG2 4.31Å; D104-T394 WeakPolarHBondContact OD2-CB 3.4Å; D104-T394 PolarHBondContact OD2-OG1 3.15Å; F105-T394 HydrophobicContact CE2-CG2 3.97Å; F105-T394 HydrophobicContact CZ-CG2 3.86Å; T390-T394 HydrophobicContact CG2-CG2 4.29Å; R392-T394 PolarHBondContact O-N 2.75Å; T394-I401 HydrophobicContact CG2-CB 4.02Å; T394-I401 HydrophobicContact CG2-CD1 4.41Å; T394-I401 PolarHBondContact N-O 3.06Å; T394-I401 PolarHBondContact O-N 3.22Å
395T97.6Very high97.6Very high53 Ų5344.1 Ų44.133%0.32522%0.224SC..EExtended strand (participates in β ladder)trans-127.4134.4172.1-59.30000108.8L39 Q101 F399L39-T395 HydrophobicContact CD2-CG2 4.25Å; Q101-T395 PolarHBondContact NE2-O 3.43Å; T395-F399 CarbonylContact C-O 3.53Å; T395-F399 WeakPolarHBondContact CA-O 3.35Å; T395-F399 WeakPolarHBondContact CG2-O 3.46Å
396L98.1Very high97.6Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-129.3122.9175.1-177.367.5000108.7V75 L88 T93 Q96 A97 F105 G398 F399 I401V75-L396 HydrophobicContact CG1-CD2 4.37Å; V75-L396 HydrophobicContact CG2-CD2 3.91Å; V75-L396 HydrophobicContact CG2-CG 4.18Å; L88-L396 HydrophobicContact CD1-CD2 3.93Å; L88-L396 HydrophobicContact CD2-CD2 3.58Å; L88-L396 HydrophobicContact CG-CD2 4.45Å; T93-L396 HydrophobicContact CG2-CD2 4.24Å; Q96-L396 HydrophobicContact CB-CD1 4.15Å; Q96-L396 HydrophobicContact CG-CD1 3.61Å; A97-L396 HydrophobicContact CB-CD1 4.06Å; A97-L396 HydrophobicContact CB-CD2 3.96Å; F105-L396 HydrophobicContact CZ-CB 4.41Å; F105-L396 HydrophobicContact CZ-CD2 4.19Å; L396-G398 PolarHBondContact O-N 2.95Å; L396-G398 VanDerWaalsContact O-N 3.13Å; L396-F399 PolarHBondContact N-O 3.2Å; L396-F399 WeakPolarHBondContact O-CB 3.37Å; L396-F399 PolarHBondContact O-N 3.43Å; L396-I401 HydrophobicContact CB-CD1 3.49Å; L396-I401 VanDerWaalsContact CB-CD1 3.49Å; L396-I401 HydrophobicContact CD2-CD1 4.22Å
397N94.9Very high97.7Very high91 Ų9142.5 Ų42.549%0.48722%0.215SC..THydrogen-bonded Turntrans5038.2-178.9-60.7-8.8000113.4V75 T93 F399V75-N397 HydrophobicContact CG2-CB 4.3Å; T93-N397 PolarHBondContact OG1-ND2 3.46Å; T93-N397 VanDerWaalsContact OG1-ND2 3.13Å; N397-F399 VanDerWaalsContact C-N 3.32Å; N397-F399 PolarHBondContact O-N 3.47Å
398G93.3Very high97.7Very high46 Ų4642.5 Ų42.547%0.47422%0.215SC..THydrogen-bonded Turntrans82.7-1.8-179.200000115.6L396L396-G398 PolarHBondContact O-N 2.95Å; L396-G398 VanDerWaalsContact O-N 3.13Å
399F97.6Very high97.7Very high48 Ų4842.2 Ų42.221%0.21121%0.214CC..EExtended strand (participates in β ladder)trans-96.6132.2176.5-59.1-65.4000112.3K40 S41 P42 P43 V75 T395 L396 N397K40-F399 HydrophobicContact CB-CD1 4.15Å; K40-F399 HydrophobicContact CB-CE1 4.41Å; K40-F399 CarbonylContact O-C 3.45Å; K40-F399 VanDerWaalsContact O-CA 3.28Å; K40-F399 WeakPolarHBondContact O-CA 3.47Å; S41-F399 VanDerWaalsContact O-CD1 3.24Å; S41-F399 WeakPolarHBondContact O-CD1 3.17Å; P42-F399 HydrophobicContact CB-CB 4.5Å; P42-F399 HydrophobicContact CB-CG 4.47Å; P42-F399 HydrophobicContact CG-CB 3.95Å; P42-F399 HydrophobicContact CG-CG 4.43Å; P43-F399 HydrophobicContact CG-CE1 4.39Å; P43-F399 HydrophobicContact CG-CZ 4.13Å; V75-F399 HydrophobicContact CB-CD2 3.95Å; V75-F399 HydrophobicContact CB-CE2 4.24Å; V75-F399 HydrophobicContact CG1-CD2 3.88Å; T395-F399 CarbonylContact C-O 3.53Å; T395-F399 WeakPolarHBondContact CA-O 3.35Å; T395-F399 WeakPolarHBondContact CG2-O 3.46Å; L396-F399 PolarHBondContact N-O 3.2Å; L396-F399 WeakPolarHBondContact O-CB 3.37Å; L396-F399 PolarHBondContact O-N 3.43Å; N397-F399 VanDerWaalsContact C-N 3.32Å; N397-F399 PolarHBondContact O-N 3.47Å
400Y97.9Very high97.7Very high28 Ų2841.8 Ų41.811%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-72.7129.7173.2177-109.8000110.7V35 P36 L39 K40 D393 P402V35-Y400 HydrophobicContact CG1-CD1 4.48Å; P36-Y400 HydrophobicContact CG-CD2 3.89Å; P36-Y400 HydrophobicContact CG-CE2 3.74Å; P36-Y400 HydrophobicContact CG-CG 4.33Å; L39-Y400 HydrophobicContact CD1-CD2 3.98Å; L39-Y400 HydrophobicContact CD1-CG 4.38Å; K40-Y400 PolarHBondContact O-N 3.16Å; D393-Y400 HydrophobicContact CB-CE2 3.98Å; D393-Y400 PolarHBondContact OD1-OH 2.92Å; D393-Y400 PolarHBondContact OD2-OH 2.87Å; Y400-P402 HydrophobicContact CE1-CB 4.15Å
401I97.9Very high97.7Very high2 Ų241.8 Ų41.81%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-125.1117176.1-57.3160.6000107.3L86 F105 T390 T394 L396 C405L86-I401 HydrophobicContact CD1-CD1 4.48Å; L86-I401 HydrophobicContact CD1-CG1 4.45Å; L86-I401 HydrophobicContact CD2-CD1 3.49Å; L86-I401 VanDerWaalsContact CD2-CD1 3.49Å; L86-I401 HydrophobicContact CD2-CG1 4.02Å; L86-I401 HydrophobicContact CD2-CG2 4.1Å; F105-I401 HydrophobicContact CE1-CD1 4.23Å; F105-I401 HydrophobicContact CZ-CD1 3.82Å; T390-I401 HydrophobicContact CG2-CG2 3.64Å; T394-I401 HydrophobicContact CG2-CB 4.02Å; T394-I401 HydrophobicContact CG2-CD1 4.41Å; T394-I401 PolarHBondContact N-O 3.06Å; T394-I401 PolarHBondContact O-N 3.22Å; L396-I401 HydrophobicContact CB-CD1 3.49Å; L396-I401 VanDerWaalsContact CB-CD1 3.49Å; L396-I401 HydrophobicContact CD2-CD1 4.22Å; I401-C405 HydrophobicContact CG2-CB 3.79Å
402P96.9Very high97.7Very high26 Ų2642.2 Ų42.217%0.16921%0.208CC..  trans-68.7160.2179.731.5-36.7000110.8P33 T390 D393 Y400 C405P33-P402 HydrophobicContact CB-CB 4.34Å; P33-P402 HydrophobicContact CB-CG 4.43Å; P33-P402 HydrophobicContact CG-CB 4.36Å; P33-P402 HydrophobicContact CG-CG 4.07Å; T390-P402 PolarHBondContact OG1-O 2.77Å; D393-P402 WeakPolarHBondContact OD1-CA 3.32Å; Y400-P402 HydrophobicContact CE1-CB 4.15Å; P402-C405 HydrophobicContact CG-CB 4.3Å; P402-C405 VanDerWaalsContact O-CB 3.32Å; P402-C405 WeakPolarHBondContact O-CB 3.32Å
403R97.1Very high97.7Very high144 Ų14435.9 Ų35.954%0.54319%0.185SC..THydrogen-bonded Turntrans-54.9149.9165.7176.9172.2163.7-176.4-4.1111T390 D393 C405T390-R403 WeakPolarHBondContact OG1-CA 3.31Å; D393-R403 WeakPolarHBondContact OD1-CB 3.1Å; D393-R403 PolarHBondContact OD1-N 3.4Å; R403-C405 PolarHBondContact O-N 2.84Å
404E97Very high97.8Very high130 Ų13031.4 Ų31.461%0.60716%0.161SC*.THydrogen-bonded Turntrans61.321.9177.7-72.4159.5-157.200113.9T390 C406T390-E404 WeakPolarHBondContact O-CA 3.49Å; T390-E404 PolarHBondContact O-N 2.96Å; T390-E404 PolarHBondContact OG1-N 3.43Å; T390-E404 VanDerWaalsContact OG1-N 3.11Å; E404-C406 PolarHBondContact O-N 2.95Å
405C97.8Very high97.8Very high8 Ų830.7 Ų30.75%0.05416%0.156CC..  trans-73124.7170.9-174.50000109.7S389 T390 I401 P402 R403 V407S389-C405 VanDerWaalsContact CA-O 3.26Å; S389-C405 WeakPolarHBondContact CA-O 3.38Å; T390-C405 HydrophobicContact CG2-CB 4.33Å; T390-C405 PolarHBondContact N-O 3.12Å; T390-C405 VanDerWaalsContact N-O 3.12Å; T390-C405 WeakPolarHBondContact OG1-CB 3.39Å; T390-C405 PolarHBondContact OG1-N 3.43Å; I401-C405 HydrophobicContact CG2-CB 3.79Å; P402-C405 HydrophobicContact CG-CB 4.3Å; P402-C405 VanDerWaalsContact O-CB 3.32Å; P402-C405 WeakPolarHBondContact O-CB 3.32Å; R403-C405 PolarHBondContact O-N 2.84Å; C405-V407 WeakPolarHBondContact O-CG2 3.23Å
406C98.6Very high97.9Very high7 Ų729.1 Ų29.15%0.04715%0.145CC..EExtended strand (participates in β ladder)trans-67.7131.3171.7-177.10000110V85 L86 P109 E404V85-C406 CarbonylContact C-O 3.56Å; V85-C406 WeakPolarHBondContact CA-O 3.13Å; V85-C406 HydrophobicContact CG2-CB 4.25Å; L86-C406 PolarHBondContact N-O 3.18Å; P109-C406 HydrophobicContact CB-CB 4.3Å; E404-C406 PolarHBondContact O-N 2.95Å
407V98.9Very high97.9Very high0 Ų030.3 Ų30.30%015%0.151CC..EExtended strand (participates in β ladder)trans-126121.7-175.2-170.70000110.9L86 L88 F105 H388 T390 C405 I409L86-V407 HydrophobicContact CB-CB 4.46Å; L86-V407 HydrophobicContact CB-CG1 4.26Å; L86-V407 HydrophobicContact CB-CG2 4.14Å; L86-V407 HydrophobicContact CD2-CG1 4.03Å; L86-V407 HydrophobicContact CD2-CG2 4.06Å; L86-V407 HydrophobicContact CG-CG1 4.35Å; L86-V407 CarbonylContact O-C 3.23Å; L86-V407 VanDerWaalsContact O-CA 3.3Å; L86-V407 WeakPolarHBondContact O-CA 3.35Å; L88-V407 HydrophobicContact CD1-CG1 3.86Å; L88-V407 HydrophobicContact CG-CG1 3.84Å; F105-V407 HydrophobicContact CD1-CG1 4.45Å; F105-V407 HydrophobicContact CD1-CG2 4.11Å; F105-V407 HydrophobicContact CE1-CG2 4.23Å; H388-V407 HydrophobicContact CB-CB 4Å; H388-V407 PolarHBondContact N-O 2.98Å; H388-V407 PolarHBondContact O-N 3.01Å; T390-V407 HydrophobicContact CG2-CG2 4.22Å; C405-V407 WeakPolarHBondContact O-CG2 3.23Å; V407-I409 HydrophobicContact CG1-CD1 3.77Å
408F98.9Very high98Very high1 Ų129.1 Ų29.10%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-96.9130.9170.2-67-6.4000110L65 I80 V85 L86 V87 L88 G233 F238 F384 P387L65-F408 HydrophobicContact CD1-CD2 4.22Å; I80-F408 HydrophobicContact CD1-CE2 4.08Å; I80-F408 HydrophobicContact CD1-CZ 4.29Å; V85-F408 HydrophobicContact CG1-CB 4.43Å; V85-F408 HydrophobicContact CG1-CD1 3.83Å; V85-F408 HydrophobicContact CG1-CD2 3.76Å; V85-F408 HydrophobicContact CG1-CE1 3.92Å; V85-F408 HydrophobicContact CG1-CE2 3.86Å; V85-F408 HydrophobicContact CG1-CG 3.73Å; V85-F408 HydrophobicContact CG1-CZ 3.93Å; L86-F408 PolarHBondContact O-N 3.12Å; V87-F408 WeakPolarHBondContact CA-O 3.45Å; V87-F408 HydrophobicContact CG2-CB 4.44Å; L88-F408 PolarHBondContact N-O 3.01Å; G233-F408 VanDerWaalsContact N-CZ 3.3Å; F238-F408 HydrophobicContact CE2-CZ 4.49Å; F238-F408 HydrophobicContact CZ-CZ 4.03Å; F384-F408 HydrophobicContact CD1-CB 4.15Å; F384-F408 HydrophobicContact CE1-CB 4.34Å; P387-F408 HydrophobicContact CB-CD1 4.1Å; P387-F408 HydrophobicContact CB-CE1 4Å; P387-F408 HydrophobicContact CG-CD1 4.06Å; P387-F408 HydrophobicContact CG-CE1 3.77Å
409I98.8Very high98.1Very high0 Ų035.7 Ų35.70%017%0.167CC..EExtended strand (participates in β ladder)trans-108.2108.5177.9-49-63000108L88 I94 L98 F384 T385 V407 Q411 M449L88-I409 HydrophobicContact CB-CD1 3.92Å; L88-I409 HydrophobicContact CD1-CD1 3.71Å; L88-I409 HydrophobicContact CG-CD1 4.09Å; I94-I409 HydrophobicContact CD1-CG2 3.83Å; I94-I409 HydrophobicContact CG1-CG2 4.04Å; I94-I409 HydrophobicContact CG2-CG2 3.61Å; L98-I409 HydrophobicContact CD1-CD1 4.21Å; L98-I409 HydrophobicContact CD1-CG1 4.09Å; L98-I409 HydrophobicContact CD1-CG2 4.08Å; L98-I409 HydrophobicContact CD2-CD1 4Å; L98-I409 HydrophobicContact CD2-CG1 4.39Å; L98-I409 HydrophobicContact CG-CD1 4.3Å; F384-I409 VanDerWaalsContact CA-O 3.22Å; F384-I409 WeakPolarHBondContact CA-O 3.31Å; F384-I409 WeakPolarHBondContact CD1-O 3.09Å; T385-I409 HydrophobicContact CG2-CB 3.85Å; T385-I409 HydrophobicContact CG2-CG1 4.38Å; T385-I409 HydrophobicContact CG2-CG2 4.03Å; T385-I409 PolarHBondContact N-O 3.49Å; T385-I409 WeakPolarHBondContact OG1-CB 3.26Å; T385-I409 WeakPolarHBondContact OG1-CG1 3.47Å; V407-I409 HydrophobicContact CG1-CD1 3.77Å; I409-Q411 PolarHBondContact O-N 3.08Å; I409-Q411 VanDerWaalsContact O-N 3.15Å; I409-M449 HydrophobicContact CG2-CE 3.62Å; I409-M449 HydrophobicContact CG2-SD 4.34Å
410N98.8Very high98Very high0 Ų035.6 Ų35.60%017%0.169CC..BIsolated β-bridgetrans-84.888.8-173.2-168.7-10.3000111.2H62 S66 L88 F384 W412 Q413H62-N410 PolarHBondContact O-ND2 2.98Å; S66-N410 PolarHBondContact OG-ND2 2.98Å; L88-N410 PolarHBondContact O-N 2.81Å; F384-N410 HydrophobicContact CD1-CB 4.07Å; F384-N410 HydrophobicContact CE1-CB 3.72Å; N410-W412 VanDerWaalsContact C-N 3.34Å; N410-W412 PolarHBondContact OD1-N 2.93Å; N410-Q413 HydrophobicContact CB-CB 4.11Å; N410-Q413 PolarHBondContact OD1-N 2.68Å
411Q98.8Very high98Very high1 Ų134.8 Ų34.81%0.00517%0.165CC..Hα-helixtrans-68.1-35.8177.9-60.8-164.2113.100111.9V382 P383 T385 I409 Q413 V414 N415 M449 L450V382-Q411 PolarHBondContact O-NE2 3.01Å; P383-Q411 PolarHBondContact O-N 2.95Å; T385-Q411 HydrophobicContact CG2-CG 3.91Å; I409-Q411 PolarHBondContact O-N 3.08Å; I409-Q411 VanDerWaalsContact O-N 3.15Å; Q411-Q413 VanDerWaalsContact C-N 3.31Å; Q411-Q413 PolarHBondContact O-N 2.96Å; Q411-V414 PolarHBondContact O-N 3.31Å; Q411-N415 PolarHBondContact O-N 3.39Å; Q411-N415 VanDerWaalsContact O-N 3.1Å; Q411-M449 HydrophobicContact CB-CB 4.38Å; Q411-M449 HydrophobicContact CB-CG 4.29Å; Q411-M449 WeakPolarHBondContact CB-O 3.32Å; Q411-M449 HydrophobicContact CG-CE 3.92Å; Q411-M449 HydrophobicContact CG-CG 3.9Å; Q411-M449 HydrophobicContact CG-SD 3.96Å; Q411-L450 PolarHBondContact NE2-O 3.14Å; Q411-L450 VanDerWaalsContact NE2-O 3.16Å; Q411-L450 PolarHBondContact OE1-O 3.07Å
412W98.8Very high97.9Very high47 Ų4737.5 Ų37.518%0.17819%0.194CC..Hα-helixtrans-59.3-43.3177.7-174.998.1000111.3H62 L63 S66 S380 P383 N410 V414 N415 H416H62-W412 HydrophobicContact CB-CB 4.08Å; H62-W412 HydrophobicContact CB-CG 4.31Å; H62-W412 AromaticContact CD2-CD1 3.55Å; H62-W412 AromaticContact CD2-CD2 3.75Å; H62-W412 AromaticContact CD2-CE2 3.91Å; H62-W412 AromaticContact CD2-CG 3.59Å; H62-W412 AromaticContact CD2-NE1 3.76Å; L63-W412 HydrophobicContact CD2-CD2 4.16Å; L63-W412 HydrophobicContact CD2-CE3 4.24Å; L63-W412 HydrophobicContact CD2-CH2 3.34Å; L63-W412 HydrophobicContact CD2-CZ2 3.2Å; L63-W412 HydrophobicContact CD2-CZ3 3.87Å; S66-W412 WeakPolarHBondContact OG-CZ3 3.46Å; S380-W412 VanDerWaalsContact CB-CD1 3.44Å; P383-W412 HydrophobicContact CB-CB 3.96Å; P383-W412 PolarHBondContact O-N 3.06Å; N410-W412 VanDerWaalsContact C-N 3.34Å; N410-W412 PolarHBondContact OD1-N 2.93Å; W412-V414 PolarHBondContact O-N 2.9Å; W412-N415 PolarHBondContact O-N 3.44Å; W412-H416 AromaticContact CD1-CE1 3.88Å; W412-H416 AromaticContact CD1-ND1 3.83Å; W412-H416 HydrophobicContact CD2-CB 4.32Å; W412-H416 AromaticContact CD2-ND1 3.72Å; W412-H416 AromaticContact CE2-CE1 3.78Å; W412-H416 AromaticContact CE2-CG 3.67Å; W412-H416 AromaticContact CE2-ND1 3.48Å; W412-H416 HydrophobicContact CE3-CB 4.15Å; W412-H416 AromaticContact CG-ND1 3.91Å; W412-H416 HydrophobicContact CH2-CB 3.84Å; W412-H416 HydrophobicContact CZ2-CB 4.01Å; W412-H416 AromaticContact CZ2-CD2 3.79Å; W412-H416 AromaticContact CZ2-CG 3.63Å; W412-H416 AromaticContact CZ2-ND1 3.94Å; W412-H416 HydrophobicContact CZ3-CB 3.92Å; W412-H416 AromaticContact NE1-CE1 3.43Å; W412-H416 PolarHBondContact NE1-CE1 3.43Å; W412-H416 AromaticContact NE1-ND1 3.53Å; W412-H416 AromaticContact NE1-NE2 3.95Å; W412-H416 WeakPolarHBondContact O-CB 3.41Å; W412-H416 PolarHBondContact O-N 2.79Å; W412-H416 PolarHBondContact O-ND1 3.05Å
413Q98.8Very high97.9Very high13 Ų1338.5 Ų38.56%0.06120%0.198CC..Hα-helixtrans-58.7-46.8177.2-174.1-82.3-2600111.3S66 N410 Q411 N415 H416 D417S66-Q413 WeakPolarHBondContact OG-CB 3.4Å; N410-Q413 HydrophobicContact CB-CB 4.11Å; N410-Q413 PolarHBondContact OD1-N 2.68Å; Q411-Q413 VanDerWaalsContact C-N 3.31Å; Q411-Q413 PolarHBondContact O-N 2.96Å; Q413-N415 VanDerWaalsContact C-N 3.28Å; Q413-N415 PolarHBondContact O-N 3.24Å; Q413-H416 CarbonylContact O-C 3.55Å; Q413-H416 PolarHBondContact O-N 2.88Å; Q413-H416 VanDerWaalsContact O-N 3.13Å; Q413-D417 PolarHBondContact O-N 3.12Å
414V98.8Very high98Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-60-42.2179.7175.90000110.9L91 I94 Q411 W412 H416 L420 W421 M449L91-V414 HydrophobicContact CB-CG1 4.05Å; L91-V414 HydrophobicContact CD1-CG1 4.15Å; I94-V414 HydrophobicContact CD1-CG2 3.64Å; Q411-V414 PolarHBondContact O-N 3.31Å; W412-V414 PolarHBondContact O-N 2.9Å; V414-H416 VanDerWaalsContact C-N 3.27Å; V414-H416 PolarHBondContact O-N 2.96Å; V414-L420 HydrophobicContact CG1-CD1 4.21Å; V414-W421 PolarHBondContact O-NE1 3.09Å; V414-M449 HydrophobicContact CB-CB 4.14Å; V414-M449 HydrophobicContact CG1-CB 3.97Å; V414-M449 HydrophobicContact CG2-SD 4.22Å
415N98.8Very high98Very high0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-76-12.3-179.4-69-17.7000114.3R377 S380 Q411 W412 Q413 W421 M449R377-N415 HydrophobicContact CG-CB 3.85Å; R377-N415 WeakPolarHBondContact CG-O 3.48Å; R377-N415 PolarHBondContact NH1-O 3.21Å; R377-N415 WeakPolarHBondContact O-CB 3.35Å; S380-N415 WeakPolarHBondContact OG-CB 3.32Å; S380-N415 PolarHBondContact OG-ND2 3.48Å; Q411-N415 PolarHBondContact O-N 3.39Å; Q411-N415 VanDerWaalsContact O-N 3.1Å; W412-N415 PolarHBondContact O-N 3.44Å; Q413-N415 VanDerWaalsContact C-N 3.28Å; Q413-N415 PolarHBondContact O-N 3.24Å; N415-W421 VanDerWaalsContact C-CD1 3.5Å; N415-W421 VanDerWaalsContact O-CD1 3.26Å; N415-W421 PolarHBondContact O-NE1 3.05Å; N415-M449 PolarHBondContact ND2-O 3.37Å; N415-M449 PolarHBondContact OD1-N 3.33Å
416H98.7Very high98Very high20 Ų2035.3 Ų35.39%0.09320%0.2CC..THydrogen-bonded Turntrans-121.712.7-179.8-6980.1000113.3R377 H378 W412 Q413 V414 P418 P424R377-H416 PolarHBondContact O-CE1 2.87Å; R377-H416 VanDerWaalsContact O-CE1 3.31Å; H378-H416 PolarHBondContact O-CE1 3.43Å; H378-H416 PolarHBondContact O-NE2 3.09Å; H378-H416 VanDerWaalsContact O-NE2 3.17Å; W412-H416 AromaticContact CD1-CE1 3.88Å; W412-H416 AromaticContact CD1-ND1 3.83Å; W412-H416 HydrophobicContact CD2-CB 4.32Å; W412-H416 AromaticContact CD2-ND1 3.72Å; W412-H416 AromaticContact CE2-CE1 3.78Å; W412-H416 AromaticContact CE2-CG 3.67Å; W412-H416 AromaticContact CE2-ND1 3.48Å; W412-H416 HydrophobicContact CE3-CB 4.15Å; W412-H416 AromaticContact CG-ND1 3.91Å; W412-H416 HydrophobicContact CH2-CB 3.84Å; W412-H416 HydrophobicContact CZ2-CB 4.01Å; W412-H416 AromaticContact CZ2-CD2 3.79Å; W412-H416 AromaticContact CZ2-CG 3.63Å; W412-H416 AromaticContact CZ2-ND1 3.94Å; W412-H416 HydrophobicContact CZ3-CB 3.92Å; W412-H416 AromaticContact NE1-CE1 3.43Å; W412-H416 PolarHBondContact NE1-CE1 3.43Å; W412-H416 AromaticContact NE1-ND1 3.53Å; W412-H416 AromaticContact NE1-NE2 3.95Å; W412-H416 WeakPolarHBondContact O-CB 3.41Å; W412-H416 PolarHBondContact O-N 2.79Å; W412-H416 PolarHBondContact O-ND1 3.05Å; Q413-H416 CarbonylContact O-C 3.55Å; Q413-H416 PolarHBondContact O-N 2.88Å; Q413-H416 VanDerWaalsContact O-N 3.13Å; V414-H416 VanDerWaalsContact C-N 3.27Å; V414-H416 PolarHBondContact O-N 2.96Å; H416-P418 VanDerWaalsContact O-CD 3.22Å; H416-P418 WeakPolarHBondContact O-CD 3.22Å; H416-P424 HydrophobicContact CB-CB 4.11Å; H416-P424 WeakPolarHBondContact O-CB 3.39Å; H416-P424 WeakPolarHBondContact O-CG 3.17Å
417D98.4Very high98Very high24 Ų2435.5 Ų35.513%0.12820%0.2CC..  trans-68115.2176.1-172-17.1000110Q413 Q419 L420 W421Q413-D417 PolarHBondContact O-N 3.12Å; D417-Q419 PolarHBondContact O-N 3.31Å; D417-Q419 VanDerWaalsContact O-N 3.16Å; D417-Q419 WeakPolarHBondContact OD1-CB 3.19Å; D417-Q419 PolarHBondContact OD1-N 3.44Å; D417-L420 HydrophobicContact CB-CB 4.14Å; D417-L420 HydrophobicContact CB-CD1 4.03Å; D417-L420 HydrophobicContact CB-CG 4.01Å; D417-L420 PolarHBondContact O-N 2.86Å; D417-W421 VanDerWaalsContact O-CD1 3.27Å; D417-W421 PolarHBondContact O-N 3.44Å
418P96.6Very high98Very high67 Ų6740 Ų4044%0.43522%0.217SC..Hα-helixtrans-58.6-27.9178.5-2233.5000113.1H416 L420 G422 P424H416-P418 VanDerWaalsContact O-CD 3.22Å; H416-P418 WeakPolarHBondContact O-CD 3.22Å; P418-L420 VanDerWaalsContact C-N 3.31Å; P418-L420 PolarHBondContact O-N 3.47Å; P418-G422 WeakPolarHBondContact O-CA 3.5Å; P418-G422 PolarHBondContact O-N 3.09Å; P418-P424 HydrophobicContact CB-CG 4.46Å; P418-P424 HydrophobicContact CG-CG 4.15Å
419Q95.9Very high98Very high184 Ų18440 Ų4086%0.8622%0.217SC*.Hα-helixtrans-71.6-27.2177.7-58.4-172.78.800112.4D417D417-Q419 PolarHBondContact O-N 3.31Å; D417-Q419 VanDerWaalsContact O-N 3.16Å; D417-Q419 WeakPolarHBondContact OD1-CB 3.19Å; D417-Q419 PolarHBondContact OD1-N 3.44Å
420L96.8Very high97.9Very high45 Ų4543.1 Ų43.124%0.23623%0.231CC..Hα-helixtrans-90.3-33.6178.1-64.8-179.3000112.7L91 V414 D417 P418 K447L91-L420 HydrophobicContact CB-CD1 4.31Å; V414-L420 HydrophobicContact CG1-CD1 4.21Å; D417-L420 HydrophobicContact CB-CB 4.14Å; D417-L420 HydrophobicContact CB-CD1 4.03Å; D417-L420 HydrophobicContact CB-CG 4.01Å; D417-L420 PolarHBondContact O-N 2.86Å; P418-L420 VanDerWaalsContact C-N 3.31Å; P418-L420 PolarHBondContact O-N 3.47Å; L420-K447 HydrophobicContact CD2-CD 4.42Å
421W97.4Very high97.8Very high11 Ų1144.2 Ų44.24%0.04224%0.236CC..Hα-helixtrans-118.3-11.2-166.2-57.9105.4000115.3R377 V414 N415 D417 D423 P424 R431 F432 L444 K447 I448R377-W421 VanDerWaalsContact CD-CD2 3.46Å; R377-W421 VanDerWaalsContact CD-CE3 3.41Å; R377-W421 HydrophobicContact CG-CD2 4.32Å; R377-W421 HydrophobicContact CG-CH2 4.21Å; R377-W421 HydrophobicContact CG-CZ2 4Å; R377-W421 HydrophobicContact CG-CZ3 4.45Å; V414-W421 PolarHBondContact O-NE1 3.09Å; N415-W421 VanDerWaalsContact C-CD1 3.5Å; N415-W421 VanDerWaalsContact O-CD1 3.26Å; N415-W421 PolarHBondContact O-NE1 3.05Å; D417-W421 VanDerWaalsContact O-CD1 3.27Å; D417-W421 PolarHBondContact O-N 3.44Å; W421-D423 VanDerWaalsContact C-N 3.32Å; W421-D423 PolarHBondContact O-N 3.37Å; W421-P424 HydrophobicContact CB-CB 4.25Å; W421-R431 PolarHBondContact O-NH1 2.87Å; W421-F432 HydrophobicContact CE3-CZ 4.46Å; W421-F432 AromaticContact CH2-CE1 3.79Å; W421-F432 HydrophobicContact CH2-CE1 3.79Å; W421-F432 AromaticContact CH2-CZ 3.78Å; W421-F432 HydrophobicContact CH2-CZ 3.78Å; W421-F432 AromaticContact CZ3-CE1 3.49Å; W421-F432 HydrophobicContact CZ3-CE1 3.49Å; W421-F432 VanDerWaalsContact CZ3-CE1 3.49Å; W421-F432 AromaticContact CZ3-CZ 3.45Å; W421-F432 HydrophobicContact CZ3-CZ 3.45Å; W421-F432 VanDerWaalsContact CZ3-CZ 3.45Å; W421-L444 HydrophobicContact CE3-CD1 4.23Å; W421-L444 HydrophobicContact CH2-CD1 4.41Å; W421-L444 HydrophobicContact CZ3-CD1 3.81Å; W421-L444 HydrophobicContact CZ3-CD2 4.39Å; W421-L444 HydrophobicContact CZ3-CG 3.89Å; W421-K447 HydrophobicContact CH2-CB 4.18Å; W421-K447 HydrophobicContact CZ2-CB 4.09Å; W421-I448 HydrophobicContact CH2-CG1 3.69Å; W421-I448 HydrophobicContact CZ2-CG1 4.22Å
422G96.4Very high97.8Very high59 Ų5944.1 Ų44.161%0.60824%0.235SC*.SBendtrans72.6-80.6-175.100000112.1P418 P424P418-G422 WeakPolarHBondContact O-CA 3.5Å; P418-G422 PolarHBondContact O-N 3.09Å; G422-P424 WeakPolarHBondContact O-CD 3.35Å
423D96.9Very high97.8Very high47 Ų4743 Ų4325%0.25123%0.233SC..SBendtrans-107.869.5179.455.4-0.4000111.8W421 S425 E426 R428 R431W421-D423 VanDerWaalsContact C-N 3.32Å; W421-D423 PolarHBondContact O-N 3.37Å; D423-S425 PolarHBondContact O-N 3.22Å; D423-S425 VanDerWaalsContact O-N 3.13Å; D423-E426 HydrophobicContact CB-CB 4.29Å; D423-E426 HydrophobicContact CB-CG 4.18Å; D423-E426 PolarHBondContact O-N 3.47Å; D423-E426 VanDerWaalsContact O-N 3.08Å; D423-R428 VanDerWaalsContact CG-NH2 3.26Å; D423-R428 IonicContact OD1-CZ 3.55Å; D423-R428 IonicContact OD1-NH1 3.07Å; D423-R428 IonicContact OD1-NH2 3.11Å; D423-R428 PolarHBondContact OD1-NH2 2.85Å; D423-R428 IonicContact OD2-CZ 3.11Å; D423-R428 IonicContact OD2-NH1 2.82Å; D423-R428 PolarHBondContact OD2-NH1 3.29Å; D423-R428 IonicContact OD2-NH2 3.69Å; D423-R428 PolarHBondContact OD2-NH2 2.72Å; D423-R431 PolarHBondContact O-NH2 3.39Å; D423-R431 VanDerWaalsContact O-NH2 3.1Å; D423-R431 IonicContact OD1-CZ 3.52Å; D423-R431 IonicContact OD1-NH1 2.72Å; D423-R431 PolarHBondContact OD1-NH1 3.34Å; D423-R431 IonicContact OD1-NH2 3.74Å; D423-R431 PolarHBondContact OD1-NH2 3.11Å
424P97.8Very high97.6Very high15 Ų1544.1 Ų44.110%0.09724%0.24CC..THydrogen-bonded Turntrans-61.8-26.9-170.623.9-34.9000114.3R377 H416 P418 W421 G422 E426R377-P424 PolarHBondContact NH1-O 3.36Å; R377-P424 PolarHBondContact NH2-O 3.13Å; H416-P424 HydrophobicContact CB-CB 4.11Å; H416-P424 WeakPolarHBondContact O-CB 3.39Å; H416-P424 WeakPolarHBondContact O-CG 3.17Å; P418-P424 HydrophobicContact CB-CG 4.46Å; P418-P424 HydrophobicContact CG-CG 4.15Å; W421-P424 HydrophobicContact CB-CB 4.25Å; G422-P424 WeakPolarHBondContact O-CD 3.35Å; P424-E426 VanDerWaalsContact C-N 3.32Å
425S97.6Very high97.3Very high93 Ų9349.1 Ų49.165%0.6528%0.282SS*.THydrogen-bonded Turntrans-80.1-9.7179.8-58.30000114.1H378 D423H378-S425 PolarHBondContact NE2-O 3.34Å; H378-S425 VanDerWaalsContact NE2-O 3.1Å; D423-S425 PolarHBondContact O-N 3.22Å; D423-S425 VanDerWaalsContact O-N 3.13Å
426E98.1Very high96.9Very high108 Ų10855.8 Ų55.851%0.50531%0.313SS..SBendtrans-91.9127.5177.7-69.5-59.2149.900110.5R377 D423 P424 R428 R431R377-E426 PolarHBondContact NH2-O 2.97Å; R377-E426 VanDerWaalsContact NH2-O 3.08Å; D423-E426 HydrophobicContact CB-CB 4.29Å; D423-E426 HydrophobicContact CB-CG 4.18Å; D423-E426 PolarHBondContact O-N 3.47Å; D423-E426 VanDerWaalsContact O-N 3.08Å; P424-E426 VanDerWaalsContact C-N 3.32Å; E426-R428 PolarHBondContact O-N 3.32Å; E426-R431 PolarHBondContact O-NH2 3.36Å
427F98.6Very high96.5Very high10 Ų1056.6 Ų56.64%0.04433%0.326CS..  trans-81.3101.4170.5-173.7-83.7000109.5Y332 K336 I339 F371 E374 H378 P429Y332-F427 HydrophobicContact CD1-CD1 4.35Å; Y332-F427 AromaticContact CD1-CD2 3.46Å; Y332-F427 HydrophobicContact CD1-CD2 3.46Å; Y332-F427 VanDerWaalsContact CD1-CD2 3.46Å; Y332-F427 HydrophobicContact CD1-CE1 4.49Å; Y332-F427 AromaticContact CD1-CE2 3.62Å; Y332-F427 HydrophobicContact CD1-CE2 3.62Å; Y332-F427 AromaticContact CD1-CG 3.86Å; Y332-F427 HydrophobicContact CD1-CG 3.86Å; Y332-F427 HydrophobicContact CD1-CZ 4.16Å; Y332-F427 HydrophobicContact CD2-CD2 4.1Å; Y332-F427 AromaticContact CD2-CE2 3.47Å; Y332-F427 HydrophobicContact CD2-CE2 3.47Å; Y332-F427 VanDerWaalsContact CD2-CE2 3.47Å; Y332-F427 AromaticContact CD2-CZ 3.99Å; Y332-F427 HydrophobicContact CD2-CZ 3.99Å; Y332-F427 HydrophobicContact CE1-CB 4.48Å; Y332-F427 AromaticContact CE1-CD2 3.46Å; Y332-F427 HydrophobicContact CE1-CD2 3.46Å; Y332-F427 VanDerWaalsContact CE1-CD2 3.46Å; Y332-F427 AromaticContact CE1-CE2 3.89Å; Y332-F427 HydrophobicContact CE1-CE2 3.89Å; Y332-F427 HydrophobicContact CE1-CG 4.1Å; Y332-F427 HydrophobicContact CE2-CD2 4.13Å; Y332-F427 AromaticContact CE2-CE2 3.77Å; Y332-F427 HydrophobicContact CE2-CE2 3.77Å; Y332-F427 AromaticContact CG-CD2 3.81Å; Y332-F427 HydrophobicContact CG-CD2 3.81Å; Y332-F427 HydrophobicContact CG-CE1 4.32Å; Y332-F427 AromaticContact CG-CE2 3.42Å; Y332-F427 HydrophobicContact CG-CE2 3.42Å; Y332-F427 VanDerWaalsContact CG-CE2 3.42Å; Y332-F427 HydrophobicContact CG-CG 4.41Å; Y332-F427 AromaticContact CG-CZ 3.72Å; Y332-F427 HydrophobicContact CG-CZ 3.72Å; Y332-F427 AromaticContact CZ-CD2 3.84Å; Y332-F427 AromaticContact CZ-CE2 3.99Å; K336-F427 HydrophobicContact CD-CB 4.26Å; K336-F427 HydrophobicContact CD-CD1 3.56Å; K336-F427 HydrophobicContact CD-CE1 4.3Å; K336-F427 HydrophobicContact CD-CG 4.17Å; K336-F427 PolarHBondContact NZ-O 3.19Å; I339-F427 HydrophobicContact CD1-CD1 3.63Å; I339-F427 HydrophobicContact CD1-CE1 3.64Å; F371-F427 AromaticContact CD2-CE1 3.89Å; F371-F427 HydrophobicContact CD2-CE1 3.89Å; F371-F427 AromaticContact CD2-CZ 3.73Å; F371-F427 HydrophobicContact CD2-CZ 3.73Å; F371-F427 AromaticContact CE2-CE1 3.89Å; F371-F427 HydrophobicContact CE2-CE1 3.89Å; F371-F427 AromaticContact CE2-CZ 3.58Å; F371-F427 HydrophobicContact CE2-CZ 3.58Å; E374-F427 HydrophobicContact CB-CE2 4.26Å; E374-F427 HydrophobicContact CB-CZ 4.27Å; E374-F427 HydrophobicContact CG-CD1 4.26Å; E374-F427 HydrophobicContact CG-CD2 3.76Å; E374-F427 HydrophobicContact CG-CE1 4.29Å; E374-F427 HydrophobicContact CG-CE2 3.78Å; E374-F427 HydrophobicContact CG-CG 4Å; E374-F427 HydrophobicContact CG-CZ 4.04Å; E374-F427 WeakPolarHBondContact OE1-CA 3.38Å; H378-F427 HydrophobicContact CB-CD2 3.78Å; H378-F427 HydrophobicContact CB-CE2 4.42Å; H378-F427 AromaticContact CG-CD2 3.85Å; F427-P429 HydrophobicContact CD1-CG 4.37Å; F427-P429 HydrophobicContact CE1-CG 3.79Å; F427-P429 HydrophobicContact CZ-CG 4.47Å
428R98Very high96.1Very high95 Ų9559.7 Ų59.736%0.35835%0.346SS..  trans-136.692.9-176.3-175176.965.2-145.3-12.5111.2E374 D423 E426 E430 R431E374-R428 PolarHBondContact OE1-N 3.28Å; D423-R428 VanDerWaalsContact CG-NH2 3.26Å; D423-R428 IonicContact OD1-CZ 3.55Å; D423-R428 IonicContact OD1-NH1 3.07Å; D423-R428 IonicContact OD1-NH2 3.11Å; D423-R428 PolarHBondContact OD1-NH2 2.85Å; D423-R428 IonicContact OD2-CZ 3.11Å; D423-R428 IonicContact OD2-NH1 2.82Å; D423-R428 PolarHBondContact OD2-NH1 3.29Å; D423-R428 IonicContact OD2-NH2 3.69Å; D423-R428 PolarHBondContact OD2-NH2 2.72Å; E426-R428 PolarHBondContact O-N 3.32Å; R428-E430 HydrophobicContact CG-CB 4.04Å; R428-E430 VanDerWaalsContact CG-OE2 3.27Å; R428-E430 WeakPolarHBondContact CG-OE2 3.28Å; R428-E430 PolarHBondContact O-N 2.89Å; R428-E430 VanDerWaalsContact O-N 3.16Å; R428-R431 VanDerWaalsContact O-CG 3.26Å; R428-R431 WeakPolarHBondContact O-CG 3.42Å; R428-R431 PolarHBondContact O-N 2.88Å; R428-R431 VanDerWaalsContact O-N 3.15Å
429P98.5Very high96.1Very high0 Ų059.9 Ų59.90%035%0.346CS..G310 helixtrans-52-35.2175.3-30.238.3000113.7I339 Y367 A370 F371 E374 F427 R431 F432I339-P429 HydrophobicContact CD1-CG 3.92Å; I339-P429 HydrophobicContact CG2-CG 4.09Å; Y367-P429 HydrophobicContact CE2-CB 4.49Å; A370-P429 HydrophobicContact CB-CB 4.36Å; A370-P429 WeakPolarHBondContact CB-O 3.28Å; F371-P429 HydrophobicContact CB-CB 4.33Å; F371-P429 HydrophobicContact CB-CG 4.25Å; F371-P429 HydrophobicContact CD2-CG 4.21Å; E374-P429 HydrophobicContact CB-CG 4.36Å; F427-P429 HydrophobicContact CD1-CG 4.37Å; F427-P429 HydrophobicContact CE1-CG 3.79Å; F427-P429 HydrophobicContact CZ-CG 4.47Å; P429-R431 PolarHBondContact O-N 3.5Å; P429-F432 PolarHBondContact O-N 3.02Å
430E97.9Very high96.1Very high66 Ų6652.6 Ų52.631%0.30831%0.313SS..G310 helixtrans-55.8-21-178.5-6582.1174.600113.4K342 Y367 R428 F432 L433K342-E430 IonicContact NZ-OE1 2.74Å; K342-E430 PolarHBondContact NZ-OE1 3.47Å; Y367-E430 HydrophobicContact CE2-CG 4.32Å; Y367-E430 PolarHBondContact OH-OE1 3.39Å; R428-E430 HydrophobicContact CG-CB 4.04Å; R428-E430 VanDerWaalsContact CG-OE2 3.27Å; R428-E430 WeakPolarHBondContact CG-OE2 3.28Å; R428-E430 PolarHBondContact O-N 2.89Å; R428-E430 VanDerWaalsContact O-N 3.16Å; E430-F432 PolarHBondContact O-N 3.35Å; E430-L433 PolarHBondContact O-N 3.1Å
431R97.1Very high96.1Very high23 Ų2353 Ų539%0.08732%0.315CS..G310 helixtrans-58-30.8175.576.9173.760.1-111.80.6112.6E374 W421 D423 E426 R428 P429 L444E374-R431 IonicContact OE1-CZ 3.02Å; E374-R431 IonicContact OE1-NE 3.85Å; E374-R431 PolarHBondContact OE1-NE 3.08Å; E374-R431 IonicContact OE1-NH2 3.76Å; E374-R431 WeakPolarHBondContact OE2-CD 3.45Å; E374-R431 IonicContact OE2-NE 2.64Å; E374-R431 PolarHBondContact OE2-NE 3Å; E374-R431 VanDerWaalsContact OE2-NE 3.12Å; W421-R431 PolarHBondContact O-NH1 2.87Å; D423-R431 PolarHBondContact O-NH2 3.39Å; D423-R431 VanDerWaalsContact O-NH2 3.1Å; D423-R431 IonicContact OD1-CZ 3.52Å; D423-R431 IonicContact OD1-NH1 2.72Å; D423-R431 PolarHBondContact OD1-NH1 3.34Å; D423-R431 IonicContact OD1-NH2 3.74Å; D423-R431 PolarHBondContact OD1-NH2 3.11Å; E426-R431 PolarHBondContact O-NH2 3.36Å; R428-R431 VanDerWaalsContact O-CG 3.26Å; R428-R431 WeakPolarHBondContact O-CG 3.42Å; R428-R431 PolarHBondContact O-N 2.88Å; R428-R431 VanDerWaalsContact O-N 3.15Å; P429-R431 PolarHBondContact O-N 3.5Å; R431-L444 WeakPolarHBondContact O-CD2 3.4Å
432F98.2Very high96Very high0 Ų059.4 Ų59.40%034%0.343CS..G310 helixtrans-92.62-175.9-68-67000114A370 L373 E374 R377 W421 P429 E430 I440 N441 L444 I448A370-F432 HydrophobicContact CB-CB 3.97Å; L373-F432 HydrophobicContact CB-CD1 4.38Å; L373-F432 HydrophobicContact CB-CD2 3.67Å; L373-F432 HydrophobicContact CB-CE2 3.85Å; L373-F432 HydrophobicContact CB-CG 3.96Å; L373-F432 HydrophobicContact CB-CZ 4.3Å; L373-F432 HydrophobicContact CD1-CB 4.14Å; L373-F432 HydrophobicContact CD1-CD1 4.28Å; L373-F432 HydrophobicContact CD1-CG 4.12Å; E374-F432 HydrophobicContact CB-CD2 4.2Å; E374-F432 HydrophobicContact CB-CE2 4.02Å; E374-F432 VanDerWaalsContact OE2-CE2 3.27Å; E374-F432 WeakPolarHBondContact OE2-CE2 3.27Å; R377-F432 HydrophobicContact CB-CZ 4.31Å; W421-F432 HydrophobicContact CE3-CZ 4.46Å; W421-F432 AromaticContact CH2-CE1 3.79Å; W421-F432 HydrophobicContact CH2-CE1 3.79Å; W421-F432 AromaticContact CH2-CZ 3.78Å; W421-F432 HydrophobicContact CH2-CZ 3.78Å; W421-F432 AromaticContact CZ3-CE1 3.49Å; W421-F432 HydrophobicContact CZ3-CE1 3.49Å; W421-F432 VanDerWaalsContact CZ3-CE1 3.49Å; W421-F432 AromaticContact CZ3-CZ 3.45Å; W421-F432 HydrophobicContact CZ3-CZ 3.45Å; W421-F432 VanDerWaalsContact CZ3-CZ 3.45Å; P429-F432 PolarHBondContact O-N 3.02Å; E430-F432 PolarHBondContact O-N 3.35Å; F432-I440 CarbonylContact O-C 3.52Å; F432-I440 WeakPolarHBondContact O-CA 3.32Å; F432-N441 PolarHBondContact O-N 3.38Å; F432-L444 HydrophobicContact CD1-CD2 4.17Å; F432-L444 HydrophobicContact CD1-CG 4.17Å; F432-L444 HydrophobicContact CE1-CD2 4.35Å; F432-L444 HydrophobicContact CE1-CG 4.07Å; F432-I448 HydrophobicContact CE1-CD1 3.67Å; F432-I448 HydrophobicContact CE1-CG1 3.93Å; F432-I448 HydrophobicContact CE2-CD1 4.17Å; F432-I448 HydrophobicContact CZ-CD1 3.43Å; F432-I448 VanDerWaalsContact CZ-CD1 3.43Å; F432-I448 HydrophobicContact CZ-CG1 3.79Å
433L97.8Very high96Very high24 Ų2460.9 Ų60.913%0.12634%0.342CS..BIsolated β-bridgetrans-88.4154.6175.4-60174.1000110.7P366 Y367 A370 E430 T439 I440P366-L433 HydrophobicContact CB-CD2 4.01Å; Y367-L433 HydrophobicContact CD2-CD1 3.92Å; Y367-L433 HydrophobicContact CE2-CD1 4.45Å; A370-L433 HydrophobicContact CB-CD2 3.8Å; A370-L433 HydrophobicContact CB-CG 4.12Å; E430-L433 PolarHBondContact O-N 3.1Å; L433-T439 WeakPolarHBondContact CA-O 3.26Å; L433-I440 HydrophobicContact CD2-CD1 4.34Å
434T95.8Very high95.9Very high35 Ų3560 Ų6022%0.21534%0.338CS..  trans-68.2168.6164.864.90000110.6E436 G437 T439T434-E436 VanDerWaalsContact CB-OE2 3.32Å; T434-E436 WeakPolarHBondContact CB-OE2 3.25Å; T434-E436 PolarHBondContact O-N 2.87Å; T434-E436 VanDerWaalsContact O-N 3.14Å; T434-E436 PolarHBondContact OG1-OE2 3.48Å; T434-G437 PolarHBondContact O-N 3.4Å; T434-T439 WeakPolarHBondContact CG2-OG1 3.1Å; T434-T439 PolarHBondContact N-O 3.38Å; T434-T439 PolarHBondContact OG1-OG1 3.44Å
435A91.7Very high95.8Very high106 Ų10660.5 Ų60.588%0.87634%0.341SS*.THydrogen-bonded Turntrans-57.3-31-178.700000112.7G437A435-G437 VanDerWaalsContact C-N 3.32Å
436E91.3Very high95.7Very high140 Ų14063 Ų6365%0.65434%0.343SS*.THydrogen-bonded Turntrans-80.1-12.5177.9-53.272.3-154.300113T434 T438T434-E436 VanDerWaalsContact CB-OE2 3.32Å; T434-E436 WeakPolarHBondContact CB-OE2 3.25Å; T434-E436 PolarHBondContact O-N 2.87Å; T434-E436 VanDerWaalsContact O-N 3.14Å; T434-E436 PolarHBondContact OG1-OE2 3.48Å; E436-T438 HydrophobicContact CB-CG2 4.23Å; E436-T438 PolarHBondContact O-N 2.89Å
437G90Very high95.7Very high36 Ų3661.3 Ų61.337%0.37133%0.334SS..SBendtrans73.98.1-178.500000115.1T434 A435T434-G437 PolarHBondContact O-N 3.4Å; A435-G437 VanDerWaalsContact C-N 3.32Å
438T90.8Very high95.7Very high90 Ų9062.1 Ų62.155%0.55234%0.338SS*.SBendtrans-98-18.3-170.755.90000114.5P366 E436P366-T438 WeakPolarHBondContact CG-O 3.19Å; E436-T438 HydrophobicContact CB-CG2 4.23Å; E436-T438 PolarHBondContact O-N 2.89Å
439T95Very high95.7Very high71 Ų7157.8 Ų57.844%0.43632%0.322SS..SBendtrans-144.7168.2-179.4630000111.5L433 T434L433-T439 WeakPolarHBondContact CA-O 3.26Å; T434-T439 WeakPolarHBondContact CG2-OG1 3.1Å; T434-T439 PolarHBondContact N-O 3.38Å; T434-T439 PolarHBondContact OG1-OG1 3.44Å
440I97.5Very high95.7Very high30 Ų3058.1 Ų58.115%0.15432%0.324CS..BIsolated β-bridgetrans-77.4133.7174.7-64.8-62.2000111.2P366 E369 A370 L373 F432 L433 K442P366-I440 VanDerWaalsContact O-CD1 3.23Å; P366-I440 WeakPolarHBondContact O-CD1 3.41Å; E369-I440 HydrophobicContact CB-CD1 3.94Å; E369-I440 HydrophobicContact CB-CG1 4.07Å; E369-I440 HydrophobicContact CG-CD1 3.8Å; E369-I440 HydrophobicContact CG-CG1 3.64Å; A370-I440 HydrophobicContact CB-CD1 3.8Å; L373-I440 HydrophobicContact CD1-CD1 4.2Å; L373-I440 HydrophobicContact CD1-CG2 3.94Å; F432-I440 CarbonylContact O-C 3.52Å; F432-I440 WeakPolarHBondContact O-CA 3.32Å; L433-I440 HydrophobicContact CD2-CD1 4.34Å; I440-K442 VanDerWaalsContact C-N 3.29Å; I440-K442 PolarHBondContact O-N 3.1Å
441N96.6Very high95.7Very high54 Ų5457 Ų5729%0.28932%0.318SS..  trans-68.285.3164.8-174.4-22000109.9F432 P443 L444 S445F432-N441 PolarHBondContact O-N 3.38Å; N441-P443 WeakPolarHBondContact OD1-CD 3.44Å; N441-L444 HydrophobicContact CB-CB 4.21Å; N441-L444 PolarHBondContact O-N 2.93Å; N441-L444 PolarHBondContact OD1-N 3.04Å; N441-S445 PolarHBondContact O-N 3.46Å
442K94.8Very high95.8Very high145 Ų14556.4 Ų56.463%0.6332%0.319SS*.Hα-helixtrans-54.5-49.2-177.5-66.4-177.7-179.8178.20112.9I440 L444 S445 E446I440-K442 VanDerWaalsContact C-N 3.29Å; I440-K442 PolarHBondContact O-N 3.1Å; K442-L444 PolarHBondContact O-N 3.39Å; K442-S445 WeakPolarHBondContact CA-OG 3.38Å; K442-S445 PolarHBondContact O-N 2.96Å; K442-S445 VanDerWaalsContact O-N 3.08Å; K442-S445 PolarHBondContact O-OG 3.17Å; K442-E446 WeakPolarHBondContact O-CG 3.27Å; K442-E446 PolarHBondContact O-N 3.43Å
443P95.7Very high95.7Very high90 Ų9057.9 Ų57.958%0.58433%0.327SS*.Hα-helixtrans-56-36.6178.4-27.135000114.1N441N441-P443 WeakPolarHBondContact OD1-CD 3.44Å
444L96.2Very high95.8Very high29 Ų2958.1 Ų58.115%0.15234%0.335CS..Hα-helixtrans-75.1-40.5176.5-172.165.4000111.8W421 R431 F432 N441 K442 E446 K447W421-L444 HydrophobicContact CE3-CD1 4.23Å; W421-L444 HydrophobicContact CH2-CD1 4.41Å; W421-L444 HydrophobicContact CZ3-CD1 3.81Å; W421-L444 HydrophobicContact CZ3-CD2 4.39Å; W421-L444 HydrophobicContact CZ3-CG 3.89Å; R431-L444 WeakPolarHBondContact O-CD2 3.4Å; F432-L444 HydrophobicContact CD1-CD2 4.17Å; F432-L444 HydrophobicContact CD1-CG 4.17Å; F432-L444 HydrophobicContact CE1-CD2 4.35Å; F432-L444 HydrophobicContact CE1-CG 4.07Å; N441-L444 HydrophobicContact CB-CB 4.21Å; N441-L444 PolarHBondContact O-N 2.93Å; N441-L444 PolarHBondContact OD1-N 3.04Å; K442-L444 PolarHBondContact O-N 3.39Å; L444-E446 PolarHBondContact O-N 3.46Å; L444-K447 HydrophobicContact CD1-CD 4.2Å; L444-K447 WeakPolarHBondContact O-CB 3.26Å; L444-K447 PolarHBondContact O-N 3.4Å; L444-K447 VanDerWaalsContact O-N 3.08Å
445S95.6Very high95.9Very high25 Ų2561 Ų6118%0.17534%0.344CS..Hα-helixtrans-60.4-33.2178.176.20000113N441 K442 K447 I448N441-S445 PolarHBondContact O-N 3.46Å; K442-S445 WeakPolarHBondContact CA-OG 3.38Å; K442-S445 PolarHBondContact O-N 2.96Å; K442-S445 VanDerWaalsContact O-N 3.08Å; K442-S445 PolarHBondContact O-OG 3.17Å; S445-K447 PolarHBondContact O-N 3.03Å; S445-I448 WeakPolarHBondContact O-CG1 3.25Å; S445-I448 PolarHBondContact O-N 3.48Å
446E95.6Very high96.2Very high145 Ų14556.9 Ų56.968%0.67831%0.306SS*.THydrogen-bonded Turntrans-71.7-11.4178.5-71.7175.8-176.400113.6K442 L444K442-E446 WeakPolarHBondContact O-CG 3.27Å; K442-E446 PolarHBondContact O-N 3.43Å; L444-E446 PolarHBondContact O-N 3.46Å
447K97.8Very high96.5Very high73 Ų7355.2 Ų55.232%0.31729%0.294SS..THydrogen-bonded Turntrans-81.7-15.7174-59.9-173.8-173.5176.10113L91 L420 W421 L444 S445 M449L91-K447 HydrophobicContact CD2-CB 3.97Å; L91-K447 HydrophobicContact CD2-CG 3.92Å; L420-K447 HydrophobicContact CD2-CD 4.42Å; W421-K447 HydrophobicContact CH2-CB 4.18Å; W421-K447 HydrophobicContact CZ2-CB 4.09Å; L444-K447 HydrophobicContact CD1-CD 4.2Å; L444-K447 WeakPolarHBondContact O-CB 3.26Å; L444-K447 PolarHBondContact O-N 3.4Å; L444-K447 VanDerWaalsContact O-N 3.08Å; S445-K447 PolarHBondContact O-N 3.03Å; K447-M449 PolarHBondContact O-N 2.99Å
448I98.3Very high97Very high27 Ų2756.3 Ų56.314%0.13830%0.295CS..  trans-65.8125.6175.9-56.7173.6000108.7L373 F376 R377 W421 F432 S445 L450L373-I448 HydrophobicContact CB-CD1 3.76Å; L373-I448 HydrophobicContact CD2-CD1 3.75Å; L373-I448 HydrophobicContact CG-CD1 4.3Å; L373-I448 WeakPolarHBondContact O-CD1 3.47Å; F376-I448 HydrophobicContact CB-CG2 4.28Å; R377-I448 HydrophobicContact CB-CD1 4.42Å; R377-I448 HydrophobicContact CB-CG1 4.33Å; R377-I448 HydrophobicContact CB-CG2 4.48Å; W421-I448 HydrophobicContact CH2-CG1 3.69Å; W421-I448 HydrophobicContact CZ2-CG1 4.22Å; F432-I448 HydrophobicContact CE1-CD1 3.67Å; F432-I448 HydrophobicContact CE1-CG1 3.93Å; F432-I448 HydrophobicContact CE2-CD1 4.17Å; F432-I448 HydrophobicContact CZ-CD1 3.43Å; F432-I448 VanDerWaalsContact CZ-CD1 3.43Å; F432-I448 HydrophobicContact CZ-CG1 3.79Å; S445-I448 WeakPolarHBondContact O-CG1 3.25Å; S445-I448 PolarHBondContact O-N 3.48Å; I448-L450 HydrophobicContact CG2-CB 4.5Å
449M98.1Very high97.3Very high4 Ų453.4 Ų53.42%0.0228%0.276CS..  trans-108.7106174.9-159.5-179.3173.800109.7I94 L98 T385 I409 Q411 V414 N415 K447 L453I94-M449 HydrophobicContact CD1-SD 4.01Å; I94-M449 HydrophobicContact CG2-CE 3.6Å; I94-M449 HydrophobicContact CG2-SD 3.88Å; L98-M449 HydrophobicContact CD1-CE 4.33Å; T385-M449 HydrophobicContact CG2-CE 4.22Å; I409-M449 HydrophobicContact CG2-CE 3.62Å; I409-M449 HydrophobicContact CG2-SD 4.34Å; Q411-M449 HydrophobicContact CB-CB 4.38Å; Q411-M449 HydrophobicContact CB-CG 4.29Å; Q411-M449 WeakPolarHBondContact CB-O 3.32Å; Q411-M449 HydrophobicContact CG-CE 3.92Å; Q411-M449 HydrophobicContact CG-CG 3.9Å; Q411-M449 HydrophobicContact CG-SD 3.96Å; V414-M449 HydrophobicContact CB-CB 4.14Å; V414-M449 HydrophobicContact CG1-CB 3.97Å; V414-M449 HydrophobicContact CG2-SD 4.22Å; N415-M449 PolarHBondContact ND2-O 3.37Å; N415-M449 PolarHBondContact OD1-N 3.33Å; K447-M449 PolarHBondContact O-N 2.99Å; M449-L453 HydrophobicContact CE-CD1 4.36Å; M449-L453 HydrophobicContact CE-CG 4.17Å
450L98.1Very high97.4Very high8 Ų850.7 Ų50.74%0.04226%0.262CS..SBendtrans-137.1-32.3174.9-171.972.3000111.8F376 F381 V382 Q411 I448F376-L450 HydrophobicContact CB-CD2 3.7Å; F376-L450 HydrophobicContact CD1-CD2 3.79Å; F376-L450 HydrophobicContact CD2-CD2 4.1Å; F376-L450 HydrophobicContact CE1-CD2 4.45Å; F376-L450 HydrophobicContact CG-CD2 3.58Å; F381-L450 HydrophobicContact CD1-CD1 4.36Å; F381-L450 HydrophobicContact CD1-CD2 4.35Å; F381-L450 HydrophobicContact CE1-CD1 4.31Å; F381-L450 HydrophobicContact CE1-CD2 3.58Å; F381-L450 HydrophobicContact CZ-CD2 3.8Å; V382-L450 HydrophobicContact CB-CD1 3.79Å; V382-L450 HydrophobicContact CG2-CD1 4.07Å; Q411-L450 PolarHBondContact NE2-O 3.14Å; Q411-L450 VanDerWaalsContact NE2-O 3.16Å; Q411-L450 PolarHBondContact OE1-O 3.07Å; I448-L450 HydrophobicContact CG2-CB 4.5Å
451F98.4Very high97.4Very high42 Ų4250.5 Ų50.518%0.18426%0.26CS..SBendtrans-95.612.1-175.2-61.9-81.8000113.6F376 R457 C458 E461 K465F376-F451 HydrophobicContact CD2-CE2 4.15Å; F376-F451 HydrophobicContact CD2-CZ 4.48Å; F376-F451 HydrophobicContact CE2-CE2 4.07Å; F376-F451 HydrophobicContact CE2-CZ 4.03Å; F376-F451 HydrophobicContact CZ-CZ 4.43Å; F451-R457 WeakPolarHBondContact O-CG 3.23Å; F451-C458 HydrophobicContact CB-CB 3.91Å; F451-C458 HydrophobicContact CD1-CB 3.9Å; F451-C458 HydrophobicContact CG-CB 4.41Å; F451-C458 PolarHBondContact O-N 2.95Å; F451-E461 HydrophobicContact CB-CB 4.3Å; F451-E461 HydrophobicContact CB-CG 4.17Å; F451-E461 HydrophobicContact CD1-CB 3.79Å; F451-E461 HydrophobicContact CD1-CG 3.84Å; F451-E461 HydrophobicContact CD2-CG 3.83Å; F451-E461 HydrophobicContact CE1-CB 4.28Å; F451-E461 HydrophobicContact CE1-CG 4.16Å; F451-E461 HydrophobicContact CE2-CG 4.17Å; F451-E461 HydrophobicContact CG-CB 3.99Å; F451-E461 HydrophobicContact CG-CG 3.66Å; F451-E461 HydrophobicContact CZ-CG 4.32Å; F451-K465 HydrophobicContact CZ-CG 4.31Å
452G97.9Very high97.4Very high10 Ų1051.5 Ų51.510%0.10327%0.268CS..  trans65.3-171.9-171.700000113.4
453L98.1Very high97.4Very high32 Ų3245.2 Ų45.217%0.16824%0.242CC..  trans-138.7163.8178.5-71.2177.2000111.7I94 R95 L98 V99 M449 R457I94-L453 HydrophobicContact CG2-CD1 4.22Å; R95-L453 HydrophobicContact CB-CD1 4.38Å; L98-L453 HydrophobicContact CB-CB 4.05Å; L98-L453 HydrophobicContact CD1-CB 4.13Å; V99-L453 HydrophobicContact CG2-CB 4.02Å; M449-L453 HydrophobicContact CE-CD1 4.36Å; M449-L453 HydrophobicContact CE-CG 4.17Å; L453-R457 PolarHBondContact O-N 3.06Å
454G98.2Very high97.5Very high28 Ų2841.1 Ų41.129%0.28922%0.215SC..G310 helixtrans65.7-144.7169.500000115L98 R456 R457L98-G454 VanDerWaalsContact O-CA 3.31Å; L98-G454 WeakPolarHBondContact O-CA 3.45Å; G454-R456 PolarHBondContact O-N 3.43Å; G454-R456 VanDerWaalsContact O-N 3.16Å; G454-R457 WeakPolarHBondContact O-CB 3.37Å; G454-R457 PolarHBondContact O-N 2.88Å; G454-R457 VanDerWaalsContact O-N 3.15Å
455K98.3Very high97.6Very high96 Ų9641.9 Ų41.942%0.41722%0.218SC..G310 helixtrans-60-29-171.8-58.4-68.5-171172.20113.4D103 K106 W133 R137D103-K455 IonicContact OD1-NZ 3.85Å; D103-K455 WeakPolarHBondContact OD2-CE 3.43Å; D103-K455 IonicContact OD2-NZ 3.64Å; D103-K455 PolarHBondContact OD2-NZ 2.91Å; K106-K455 HydrophobicContact CB-CB 4.03Å; K106-K455 HydrophobicContact CB-CG 4.44Å; W133-K455 HydrophobicContact CH2-CB 4.2Å; W133-K455 WeakPolarHBondContact CH2-O 3.32Å; R137-K455 PolarHBondContact NE-O 3.41Å
456R98.4Very high97.7Very high20 Ų2043.6 Ų43.68%0.07522%0.22CC..G310 helixtrans-104.911-177.1-68.4-80.1-175.8166-0.4113.4K106 D128 W133 G454K106-R456 HydrophobicContact CB-CG 4.39Å; K106-R456 PolarHBondContact O-NE 3.48Å; K106-R456 PolarHBondContact O-NH2 3.46Å; D128-R456 PolarHBondContact O-NH2 3.14Å; W133-R456 HydrophobicContact CZ2-CG 4.35Å; G454-R456 PolarHBondContact O-N 3.43Å; G454-R456 VanDerWaalsContact O-N 3.16Å
457R98.4Very high97.9Very high105 Ų10536.8 Ų36.840%0.39619%0.188SC..  trans-52.5149.3174.1-174.4175.1179.7169.23111.1R137 F451 L453 G454 I459 E461R137-R457 VanDerWaalsContact CZ-O 3.27Å; R137-R457 PolarHBondContact NH1-O 3.14Å; R137-R457 PolarHBondContact NH2-O 3.36Å; F451-R457 WeakPolarHBondContact O-CG 3.23Å; L453-R457 PolarHBondContact O-N 3.06Å; G454-R457 WeakPolarHBondContact O-CB 3.37Å; G454-R457 PolarHBondContact O-N 2.88Å; G454-R457 VanDerWaalsContact O-N 3.15Å; R457-I459 PolarHBondContact O-N 3.06Å; R457-E461 IonicContact CZ-OE1 3.49Å; R457-E461 IonicContact CZ-OE2 2.72Å; R457-E461 IonicContact NE-OE2 3.1Å; R457-E461 PolarHBondContact NE-OE2 3.05Å; R457-E461 IonicContact NH2-OE1 2.73Å; R457-E461 PolarHBondContact NH2-OE1 3.15Å; R457-E461 IonicContact NH2-OE2 3.54Å; R457-E461 PolarHBondContact NH2-OE2 2.95Å
458C98.6Very high97.9Very high58 Ų5833.3 Ų33.339%0.39217%0.173SC..  trans-53.8134176.7-172.70000111.4F451 G460 E461F451-C458 HydrophobicContact CB-CB 3.91Å; F451-C458 HydrophobicContact CD1-CB 3.9Å; F451-C458 HydrophobicContact CG-CB 4.41Å; F451-C458 PolarHBondContact O-N 2.95Å; C458-G460 PolarHBondContact SG-N 2.94Å; C458-G460 VanDerWaalsContact SG-N 3.35Å; C458-E461 HydrophobicContact CB-CB 4.47Å
459I98.1Very high98Very high30 Ų3032 Ų3215%0.15417%0.167CC..THydrogen-bonded Turntrans-81.5-21175.260.1171.2000112.6M123 R137 A140 Q141 L144 R457M123-I459 HydrophobicContact CE-CD1 4.27Å; R137-I459 HydrophobicContact CG-CG2 4.23Å; R137-I459 VanDerWaalsContact CZ-CG2 3.41Å; A140-I459 HydrophobicContact CB-CD1 3.85Å; Q141-I459 PolarHBondContact NE2-O 2.76Å; Q141-I459 VanDerWaalsContact OE1-CA 3.25Å; Q141-I459 VanDerWaalsContact OE1-CG2 3.23Å; Q141-I459 PolarHBondContact OE1-O 3.09Å; L144-I459 HydrophobicContact CD2-CD1 4.48Å; L144-I459 HydrophobicContact CD2-CG1 4.32Å; R457-I459 PolarHBondContact O-N 3.06Å
460G97.9Very high98Very high14 Ų1431.9 Ų31.914%0.14417%0.166CC..THydrogen-bonded Turntrans-101.319.5-179.100000114.2C458 V462 L463 G464C458-G460 PolarHBondContact SG-N 2.94Å; C458-G460 VanDerWaalsContact SG-N 3.35Å; G460-V462 PolarHBondContact O-N 2.91Å; G460-L463 PolarHBondContact O-N 3.45Å; G460-G464 PolarHBondContact O-N 2.77Å
461E97.3Very high98Very high25 Ų2531.6 Ų31.612%0.11716%0.164CC..Hα-helixtrans-60.5-46.6-176.4174.3178.7162.900113F451 R457 C458 K465F451-E461 HydrophobicContact CB-CB 4.3Å; F451-E461 HydrophobicContact CB-CG 4.17Å; F451-E461 HydrophobicContact CD1-CB 3.79Å; F451-E461 HydrophobicContact CD1-CG 3.84Å; F451-E461 HydrophobicContact CD2-CG 3.83Å; F451-E461 HydrophobicContact CE1-CB 4.28Å; F451-E461 HydrophobicContact CE1-CG 4.16Å; F451-E461 HydrophobicContact CE2-CG 4.17Å; F451-E461 HydrophobicContact CG-CB 3.99Å; F451-E461 HydrophobicContact CG-CG 3.66Å; F451-E461 HydrophobicContact CZ-CG 4.32Å; R457-E461 IonicContact CZ-OE1 3.49Å; R457-E461 IonicContact CZ-OE2 2.72Å; R457-E461 IonicContact NE-OE2 3.1Å; R457-E461 PolarHBondContact NE-OE2 3.05Å; R457-E461 IonicContact NH2-OE1 2.73Å; R457-E461 PolarHBondContact NH2-OE1 3.15Å; R457-E461 IonicContact NH2-OE2 3.54Å; R457-E461 PolarHBondContact NH2-OE2 2.95Å; C458-E461 HydrophobicContact CB-CB 4.47Å; E461-K465 HydrophobicContact CG-CD 4.14Å; E461-K465 WeakPolarHBondContact O-CB 3.25Å; E461-K465 WeakPolarHBondContact O-CG 3.44Å; E461-K465 PolarHBondContact O-N 3.41Å; E461-K465 IonicContact OE1-NZ 3.58Å; E461-K465 PolarHBondContact OE1-NZ 3.42Å
462V95.9Very high98.1Very high75 Ų7529.6 Ų29.646%0.45516%0.155SC..Hα-helixtrans-65.3-48.9-179.3176.80000109.8G460 G464 K465 W466G460-V462 PolarHBondContact O-N 2.91Å; V462-G464 PolarHBondContact O-N 3.3Å; V462-K465 PolarHBondContact O-N 2.9Å; V462-W466 HydrophobicContact CG1-CD2 3.91Å; V462-W466 VanDerWaalsContact CG1-CE2 3.47Å; V462-W466 HydrophobicContact CG1-CE3 4.34Å; V462-W466 HydrophobicContact CG1-CG 4.49Å; V462-W466 HydrophobicContact CG1-CH2 4.06Å; V462-W466 HydrophobicContact CG1-CZ2 3.57Å; V462-W466 HydrophobicContact CG1-CZ3 4.42Å; V462-W466 VanDerWaalsContact O-CG 3.3Å; V462-W466 PolarHBondContact O-N 2.73Å
463L95.8Very high98.1Very high14 Ų1429.1 Ų29.17%0.07315%0.151CC..Hα-helixtrans-50.3-55.8174.4174.661.2000111.5L144 L161 M203 G460 K465 W466 E467L144-L463 HydrophobicContact CD1-CD2 3.66Å; L144-L463 HydrophobicContact CD2-CD2 4.08Å; L144-L463 HydrophobicContact CG-CD2 4.04Å; L161-L463 HydrophobicContact CB-CD1 4.21Å; L161-L463 HydrophobicContact CD1-CD1 3.31Å; L161-L463 HydrophobicContact CD2-CD1 3.39Å; L161-L463 HydrophobicContact CG-CD1 3.77Å; M203-L463 HydrophobicContact CE-CD1 4.05Å; M203-L463 HydrophobicContact CE-CD2 4.26Å; M203-L463 HydrophobicContact SD-CD1 4.32Å; G460-L463 PolarHBondContact O-N 3.45Å; L463-K465 VanDerWaalsContact C-N 3.35Å; L463-K465 PolarHBondContact O-N 3.3Å; L463-W466 PolarHBondContact O-N 2.84Å; L463-W466 VanDerWaalsContact O-N 3.1Å; L463-E467 WeakPolarHBondContact O-CB 3.49Å; L463-E467 PolarHBondContact O-N 3.38Å
464G97.1Very high98.1Very high3 Ų327.6 Ų27.63%0.03114%0.143CC..Hα-helixtrans-63.9-36.8-17700000113.8G460 V462 V468G460-G464 PolarHBondContact O-N 2.77Å; V462-G464 PolarHBondContact O-N 3.3Å; G464-V468 WeakPolarHBondContact O-CB 3.47Å; G464-V468 VanDerWaalsContact O-CG2 3.24Å; G464-V468 WeakPolarHBondContact O-CG2 3.39Å; G464-V468 PolarHBondContact O-N 2.74Å; G464-V468 VanDerWaalsContact O-N 3.09Å
465K98.2Very high98.1Very high46 Ų4626.2 Ų26.220%0.213%0.129CC..Hα-helixtrans-63.9-40.7173.5-77.1173.4174.21750111.7F376 F451 E461 V462 L463 F469F376-K465 HydrophobicContact CE2-CG 4.14Å; F451-K465 HydrophobicContact CZ-CG 4.31Å; E461-K465 HydrophobicContact CG-CD 4.14Å; E461-K465 WeakPolarHBondContact O-CB 3.25Å; E461-K465 WeakPolarHBondContact O-CG 3.44Å; E461-K465 PolarHBondContact O-N 3.41Å; E461-K465 IonicContact OE1-NZ 3.58Å; E461-K465 PolarHBondContact OE1-NZ 3.42Å; V462-K465 PolarHBondContact O-N 2.9Å; L463-K465 VanDerWaalsContact C-N 3.35Å; L463-K465 PolarHBondContact O-N 3.3Å; K465-F469 VanDerWaalsContact O-CB 3.26Å; K465-F469 WeakPolarHBondContact O-CB 3.32Å; K465-F469 PolarHBondContact O-N 3.31Å
466W98.4Very high98.1Very high60 Ų6021.7 Ų21.723%0.22711%0.109CC..Hα-helixtrans-71.1-42.5-180-68.51.6000111.9I149 L161 L359 V462 L463 F469 L470I149-W466 HydrophobicContact CB-CH2 4.32Å; I149-W466 HydrophobicContact CB-CZ3 3.76Å; I149-W466 HydrophobicContact CG2-CE3 3.93Å; I149-W466 HydrophobicContact CG2-CH2 4.18Å; I149-W466 HydrophobicContact CG2-CZ3 3.48Å; I149-W466 VanDerWaalsContact CG2-CZ3 3.48Å; L161-W466 HydrophobicContact CD2-CB 3.5Å; L161-W466 VanDerWaalsContact CD2-CB 3.5Å; L161-W466 HydrophobicContact CD2-CE3 4.02Å; L161-W466 HydrophobicContact CD2-CG 4.41Å; L359-W466 HydrophobicContact CD1-CB 3.83Å; L359-W466 HydrophobicContact CD1-CD2 3.92Å; L359-W466 HydrophobicContact CD1-CG 3.58Å; L359-W466 HydrophobicContact CD2-CD2 3.54Å; L359-W466 HydrophobicContact CD2-CE3 3.37Å; L359-W466 HydrophobicContact CD2-CG 4.07Å; L359-W466 HydrophobicContact CD2-CH2 4.17Å; L359-W466 HydrophobicContact CD2-CZ2 4.33Å; L359-W466 HydrophobicContact CD2-CZ3 3.7Å; L359-W466 HydrophobicContact CG-CD2 4.33Å; L359-W466 HydrophobicContact CG-CG 4.47Å; V462-W466 HydrophobicContact CG1-CD2 3.91Å; V462-W466 VanDerWaalsContact CG1-CE2 3.47Å; V462-W466 HydrophobicContact CG1-CE3 4.34Å; V462-W466 HydrophobicContact CG1-CG 4.49Å; V462-W466 HydrophobicContact CG1-CH2 4.06Å; V462-W466 HydrophobicContact CG1-CZ2 3.57Å; V462-W466 HydrophobicContact CG1-CZ3 4.42Å; V462-W466 VanDerWaalsContact O-CG 3.3Å; V462-W466 PolarHBondContact O-N 2.73Å; L463-W466 PolarHBondContact O-N 2.84Å; L463-W466 VanDerWaalsContact O-N 3.1Å; W466-F469 PolarHBondContact O-N 3.06Å; W466-L470 WeakPolarHBondContact O-CB 3.48Å; W466-L470 WeakPolarHBondContact O-CG 3.43Å; W466-L470 PolarHBondContact O-N 2.95Å
467E98.5Very high98.1Very high3 Ų321.2 Ų21.21%0.01411%0.108CC..Hα-helixtrans-63.1-50.1179.2-173.1169-178.800111.8L161 V165 V199 I322 L463 F469 L470 F471L161-E467 HydrophobicContact CD1-CB 4.26Å; L161-E467 HydrophobicContact CD1-CG 4.48Å; V165-E467 HydrophobicContact CG2-CB 4.4Å; V165-E467 HydrophobicContact CG2-CG 3.79Å; V199-E467 WeakPolarHBondContact CG1-OE1 3.34Å; I322-E467 HydrophobicContact CG2-CB 4.42Å; I322-E467 HydrophobicContact CG2-CG 3.83Å; L463-E467 WeakPolarHBondContact O-CB 3.49Å; L463-E467 PolarHBondContact O-N 3.38Å; E467-F469 VanDerWaalsContact C-N 3.3Å; E467-F469 PolarHBondContact O-N 3.41Å; E467-L470 PolarHBondContact O-N 3.3Å; E467-F471 HydrophobicContact CG-CD2 3.8Å; E467-F471 HydrophobicContact CG-CE2 3.79Å; E467-F471 WeakPolarHBondContact O-CD2 3.42Å; E467-F471 PolarHBondContact O-N 3.32Å
468V98.8Very high98.1Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-59.2-43.3175.8173.30000110.9I322 A325 I326 I372 F376 G464 L472I322-V468 HydrophobicContact CD1-CG2 4.27Å; I322-V468 HydrophobicContact CG2-CG2 4.13Å; A325-V468 HydrophobicContact CB-CG2 3.8Å; I326-V468 HydrophobicContact CG1-CG1 4.49Å; I326-V468 HydrophobicContact CG1-CG2 4.16Å; I372-V468 HydrophobicContact CD1-CG1 4.26Å; I372-V468 HydrophobicContact CG1-CG1 4.14Å; I372-V468 HydrophobicContact CG2-CG1 3.95Å; F376-V468 HydrophobicContact CZ-CG2 4.46Å; G464-V468 WeakPolarHBondContact O-CB 3.47Å; G464-V468 VanDerWaalsContact O-CG2 3.24Å; G464-V468 WeakPolarHBondContact O-CG2 3.39Å; G464-V468 PolarHBondContact O-N 2.74Å; G464-V468 VanDerWaalsContact O-N 3.09Å; V468-L472 HydrophobicContact CG1-CD1 3.76Å; V468-L472 HydrophobicContact CG1-CG 4.42Å; V468-L472 WeakPolarHBondContact O-CB 3.38Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.43Å; V468-L472 PolarHBondContact O-N 3.44Å; V468-L472 VanDerWaalsContact O-N 3.09Å
469F98.9Very high98Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-59.7-51.6177.4168.5-91.7000112.2L359 R362 L365 L368 I372 K465 W466 E467 L472 A473L359-F469 HydrophobicContact CD1-CD1 4.31Å; R362-F469 HydrophobicContact CB-CD1 4.15Å; R362-F469 HydrophobicContact CB-CD2 4.25Å; R362-F469 HydrophobicContact CB-CE1 3.71Å; R362-F469 HydrophobicContact CB-CE2 3.79Å; R362-F469 HydrophobicContact CB-CG 4.42Å; R362-F469 HydrophobicContact CB-CZ 3.51Å; R362-F469 HydrophobicContact CG-CD1 4.32Å; R362-F469 HydrophobicContact CG-CD2 3.79Å; R362-F469 HydrophobicContact CG-CE1 4.28Å; R362-F469 HydrophobicContact CG-CE2 3.72Å; R362-F469 HydrophobicContact CG-CG 4.1Å; R362-F469 HydrophobicContact CG-CZ 3.99Å; L365-F469 HydrophobicContact CB-CE2 4.24Å; L365-F469 HydrophobicContact CD1-CE2 3.86Å; L365-F469 HydrophobicContact CD1-CZ 3.7Å; L368-F469 HydrophobicContact CD2-CD2 3.88Å; L368-F469 HydrophobicContact CD2-CE2 3.68Å; L368-F469 HydrophobicContact CD2-CZ 4.49Å; L368-F469 HydrophobicContact CG-CD2 4.2Å; L368-F469 HydrophobicContact CG-CE2 4.25Å; I372-F469 HydrophobicContact CD1-CB 3.93Å; I372-F469 HydrophobicContact CD1-CD2 4.23Å; K465-F469 VanDerWaalsContact O-CB 3.26Å; K465-F469 WeakPolarHBondContact O-CB 3.32Å; K465-F469 PolarHBondContact O-N 3.31Å; W466-F469 PolarHBondContact O-N 3.06Å; E467-F469 VanDerWaalsContact C-N 3.3Å; E467-F469 PolarHBondContact O-N 3.41Å; F469-L472 PolarHBondContact O-N 3.32Å; F469-A473 HydrophobicContact CZ-CB 4.42Å; F469-A473 VanDerWaalsContact O-CB 3.25Å; F469-A473 WeakPolarHBondContact O-CB 3.33Å; F469-A473 PolarHBondContact O-N 3.17Å
470L98.8Very high98Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-64.1-47.2-176.9-77.7172000111.7E162 V165 L359 W466 E467 L472 A473 I474E162-L470 HydrophobicContact CB-CD1 4.11Å; E162-L470 HydrophobicContact CG-CD1 4.18Å; E162-L470 HydrophobicContact CG-CD2 4.49Å; V165-L470 HydrophobicContact CB-CB 4.26Å; V165-L470 HydrophobicContact CB-CD1 4.18Å; V165-L470 HydrophobicContact CG1-CB 3.49Å; V165-L470 VanDerWaalsContact CG1-CB 3.49Å; V165-L470 HydrophobicContact CG1-CD1 4.32Å; L359-L470 HydrophobicContact CB-CD2 4.24Å; W466-L470 WeakPolarHBondContact O-CB 3.48Å; W466-L470 WeakPolarHBondContact O-CG 3.43Å; W466-L470 PolarHBondContact O-N 2.95Å; E467-L470 PolarHBondContact O-N 3.3Å; L470-L472 PolarHBondContact O-N 3.28Å; L470-A473 PolarHBondContact O-N 3.01Å; L470-I474 WeakPolarHBondContact O-CB 3.45Å; L470-I474 WeakPolarHBondContact O-CD1 3.42Å; L470-I474 VanDerWaalsContact O-CG1 3.24Å; L470-I474 WeakPolarHBondContact O-CG1 3.42Å; L470-I474 PolarHBondContact O-N 3.31Å
471F98.8Very high98.1Very high2 Ų215.7 Ų15.71%0.0098%0.076CC..Hα-helixtrans-56.6-50176.3-90.2-67.8000111.3V165 E168 A169 V196 V199 I326 E467 L475V165-F471 HydrophobicContact CB-CE2 4.44Å; V165-F471 HydrophobicContact CG1-CD1 4.26Å; V165-F471 HydrophobicContact CG1-CD2 3.62Å; V165-F471 HydrophobicContact CG1-CE1 4.38Å; V165-F471 HydrophobicContact CG1-CE2 3.77Å; V165-F471 HydrophobicContact CG1-CG 3.89Å; V165-F471 HydrophobicContact CG1-CZ 4.15Å; V165-F471 HydrophobicContact CG2-CD2 4.47Å; V165-F471 HydrophobicContact CG2-CE2 4.1Å; E168-F471 HydrophobicContact CB-CE1 4.28Å; E168-F471 HydrophobicContact CB-CZ 4.09Å; A169-F471 HydrophobicContact CB-CD1 3.81Å; A169-F471 HydrophobicContact CB-CE1 4.01Å; V196-F471 HydrophobicContact CG2-CE2 4.1Å; V196-F471 HydrophobicContact CG2-CZ 4.41Å; V199-F471 HydrophobicContact CG2-CE2 4.08Å; V199-F471 HydrophobicContact CG2-CZ 3.88Å; I326-F471 HydrophobicContact CD1-CB 3.76Å; I326-F471 HydrophobicContact CD1-CD2 3.52Å; I326-F471 HydrophobicContact CD1-CE2 4.26Å; I326-F471 HydrophobicContact CD1-CG 3.74Å; E467-F471 HydrophobicContact CG-CD2 3.8Å; E467-F471 HydrophobicContact CG-CE2 3.79Å; E467-F471 WeakPolarHBondContact O-CD2 3.42Å; E467-F471 PolarHBondContact O-N 3.32Å; F471-L475 VanDerWaalsContact O-CB 3.25Å; F471-L475 WeakPolarHBondContact O-CB 3.3Å; F471-L475 WeakPolarHBondContact O-CD1 3.25Å; F471-L475 WeakPolarHBondContact O-CG 3.14Å; F471-L475 PolarHBondContact O-N 3.3Å
472L98.9Very high98.1Very high0 Ų016.5 Ų16.50%09%0.085CC..Hα-helixtrans-66.6-42.3-179-68.4174.6000112.2L333 L368 F371 I372 V468 F469 L470 L476L333-L472 HydrophobicContact CD1-CD2 4.46Å; L368-L472 HydrophobicContact CD1-CB 4.08Å; L368-L472 HydrophobicContact CD1-CD1 4.5Å; F371-L472 HydrophobicContact CD1-CD1 4.35Å; F371-L472 HydrophobicContact CE1-CD1 3.95Å; I372-L472 HydrophobicContact CD1-CD1 4.1Å; I372-L472 HydrophobicContact CG1-CD1 3.71Å; V468-L472 HydrophobicContact CG1-CD1 3.76Å; V468-L472 HydrophobicContact CG1-CG 4.42Å; V468-L472 WeakPolarHBondContact O-CB 3.38Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.43Å; V468-L472 PolarHBondContact O-N 3.44Å; V468-L472 VanDerWaalsContact O-N 3.09Å; F469-L472 PolarHBondContact O-N 3.32Å; L470-L472 PolarHBondContact O-N 3.28Å; L472-L476 HydrophobicContact CB-CD1 4.36Å; L472-L476 WeakPolarHBondContact O-CB 3.36Å; L472-L476 WeakPolarHBondContact O-CG 3.32Å; L472-L476 PolarHBondContact O-N 3.37Å
473A98.8Very high98.2Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-60.6-50178.800000111.1L347 P357 L368 F469 L470 Q477L347-A473 HydrophobicContact CD2-CB 4.32Å; P357-A473 HydrophobicContact CB-CB 3.65Å; P357-A473 HydrophobicContact CG-CB 3.99Å; L368-A473 HydrophobicContact CD2-CB 3.7Å; F469-A473 HydrophobicContact CZ-CB 4.42Å; F469-A473 VanDerWaalsContact O-CB 3.25Å; F469-A473 WeakPolarHBondContact O-CB 3.33Å; F469-A473 PolarHBondContact O-N 3.17Å; L470-A473 PolarHBondContact O-N 3.01Å; A473-Q477 WeakPolarHBondContact O-CB 3.4Å; A473-Q477 PolarHBondContact O-N 3.09Å
474I98.5Very high98.3Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-64.4-49-178.6-65.4166000110.5A169 L470 Q477 Q478A169-I474 HydrophobicContact CB-CB 4Å; A169-I474 HydrophobicContact CB-CD1 3.88Å; A169-I474 HydrophobicContact CB-CG2 3.71Å; L470-I474 WeakPolarHBondContact O-CB 3.45Å; L470-I474 WeakPolarHBondContact O-CD1 3.42Å; L470-I474 VanDerWaalsContact O-CG1 3.24Å; L470-I474 WeakPolarHBondContact O-CG1 3.42Å; L470-I474 PolarHBondContact O-N 3.31Å; I474-Q477 PolarHBondContact O-N 2.82Å; I474-Q478 PolarHBondContact O-N 3.49Å
475L98.6Very high98.1Very high0 Ų021.9 Ų21.90%012%0.121CC..Hα-helixtrans-64.1-45.9-178.9-68172.1000111.7L172 F471 Q477 Q478 L479 F481L172-L475 HydrophobicContact CD2-CD1 3.96Å; L172-L475 HydrophobicContact CD2-CD2 4.21Å; L172-L475 HydrophobicContact CG-CD2 4.24Å; F471-L475 VanDerWaalsContact O-CB 3.25Å; F471-L475 WeakPolarHBondContact O-CB 3.3Å; F471-L475 WeakPolarHBondContact O-CD1 3.25Å; F471-L475 WeakPolarHBondContact O-CG 3.14Å; F471-L475 PolarHBondContact O-N 3.3Å; L475-Q477 VanDerWaalsContact C-N 3.33Å; L475-Q477 PolarHBondContact O-N 3.28Å; L475-Q478 PolarHBondContact O-N 2.96Å; L475-L479 HydrophobicContact CD2-CD1 4.38Å; L475-L479 WeakPolarHBondContact O-CA 3.25Å; L475-L479 WeakPolarHBondContact O-CB 3.38Å; L475-L479 PolarHBondContact O-N 2.91Å; L475-F481 HydrophobicContact CB-CE2 4.18Å; L475-F481 HydrophobicContact CB-CZ 4.24Å
476L98.6Very high97.8Very high0 Ų024 Ų240%016%0.155CC..Hα-helixtrans-76.5-19.2-177-62173000113.4L333 Q340 I343 Q344 L347 L472 Q478 F481 R512L333-L476 HydrophobicContact CD1-CD1 3.86Å; L333-L476 HydrophobicContact CD1-CD2 3.93Å; L333-L476 HydrophobicContact CD1-CG 4.44Å; L333-L476 HydrophobicContact CD2-CD1 4.47Å; Q340-L476 HydrophobicContact CG-CD2 4.2Å; I343-L476 HydrophobicContact CD1-CD1 4.18Å; I343-L476 HydrophobicContact CG2-CB 4.44Å; I343-L476 HydrophobicContact CG2-CD1 3.79Å; Q344-L476 WeakPolarHBondContact CG-O 3.48Å; L347-L476 HydrophobicContact CD1-CB 3.93Å; L472-L476 HydrophobicContact CB-CD1 4.36Å; L472-L476 WeakPolarHBondContact O-CB 3.36Å; L472-L476 WeakPolarHBondContact O-CG 3.32Å; L472-L476 PolarHBondContact O-N 3.37Å; L476-Q478 VanDerWaalsContact C-N 3.32Å; L476-F481 HydrophobicContact CD2-CD2 3.75Å; L476-F481 HydrophobicContact CD2-CE2 3.89Å; L476-R512 VanDerWaalsContact O-CD 3.27Å; L476-R512 WeakPolarHBondContact O-CD 3.36Å; L476-R512 PolarHBondContact O-NH1 3.48Å
477Q98.1Very high97.6Very high11 Ų1123.2 Ų23.25%0.05116%0.157CC..Hα-helixtrans-65.4-40.5168.7-167.8-165.645.500110.4L347 G352 R355 P357 A473 I474 L475 R512 F513L347-Q477 HydrophobicContact CD1-CB 4.4Å; G352-Q477 PolarHBondContact O-NE2 3.09Å; R355-Q477 PolarHBondContact O-NE2 3.25Å; P357-Q477 VanDerWaalsContact CD-OE1 3.3Å; P357-Q477 HydrophobicContact CG-CB 4.17Å; A473-Q477 WeakPolarHBondContact O-CB 3.4Å; A473-Q477 PolarHBondContact O-N 3.09Å; I474-Q477 PolarHBondContact O-N 2.82Å; L475-Q477 VanDerWaalsContact C-N 3.33Å; L475-Q477 PolarHBondContact O-N 3.28Å; Q477-R512 PolarHBondContact O-NH1 3.32Å; Q477-F513 VanDerWaalsContact O-CE2 3.28Å; Q477-F513 WeakPolarHBondContact O-CE2 3.22Å
478Q96.6Very high97.4Very high52 Ų5231.8 Ų31.824%0.24320%0.195CC..Hα-helixtrans-94.8-37.1-173-63.7-175.8-10.200113.9S173 I474 L475 L476 L511 R512S173-Q478 PolarHBondContact OG-OE1 2.88Å; I474-Q478 PolarHBondContact O-N 3.49Å; L475-Q478 PolarHBondContact O-N 2.96Å; L476-Q478 VanDerWaalsContact C-N 3.32Å; Q478-L511 WeakPolarHBondContact O-CA 3.36Å; Q478-R512 PolarHBondContact O-N 3.33Å
479L98.1Very high97.3Very high1 Ų133 Ų331%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-118.4152.1-168.3-60173.7000111.9L176 Q177 Q344 L475 F481 A509 R510 L511 R512L176-L479 HydrophobicContact CB-CD1 4.43Å; L176-L479 HydrophobicContact CD1-CD1 3.92Å; Q177-L479 HydrophobicContact CG-CD2 4.45Å; Q344-L479 PolarHBondContact NE2-O 3.48Å; L475-L479 HydrophobicContact CD2-CD1 4.38Å; L475-L479 WeakPolarHBondContact O-CA 3.25Å; L475-L479 WeakPolarHBondContact O-CB 3.38Å; L475-L479 PolarHBondContact O-N 2.91Å; L479-F481 HydrophobicContact CB-CE2 4.22Å; L479-F481 HydrophobicContact CB-CZ 4.26Å; L479-F481 HydrophobicContact CD1-CZ 4.15Å; L479-A509 HydrophobicContact CD1-CB 4.4Å; L479-A509 HydrophobicContact CD2-CB 4.49Å; L479-R510 VanDerWaalsContact CA-O 3.29Å; L479-R510 CarbonylContact C-O 3.51Å; L479-R510 WeakPolarHBondContact CA-O 3.48Å; L479-L511 HydrophobicContact CD2-CD2 3.91Å; L479-L511 HydrophobicContact CD2-CG 4.42Å; L479-R512 WeakPolarHBondContact O-CD 3.47Å
480E98.4Very high97.2Very high35 Ų3536.1 Ų36.116%0.16422%0.218CC..EExtended strand (participates in β ladder)trans-119.3123.3165.3-175.6-179.3163.700109.2A509 R510 R512E480-A509 CarbonylContact O-C 3.46Å; E480-A509 WeakPolarHBondContact O-CA 3.28Å; E480-R510 IonicContact OE1-NE 2.96Å; E480-R510 PolarHBondContact OE2-NH2 3.26Å; E480-R510 IonicContact OE2-NH2 2.64Å; E480-R510 PolarHBondContact OE2-NE 2.85Å; E480-R510 IonicContact OE2-NE 3.91Å; E480-R510 IonicContact OE2-CZ 3.98Å; E480-R510 PolarHBondContact OE1-NH2 3.01Å; E480-R510 IonicContact OE1-NH2 2.79Å; E480-R510 IonicContact OE1-CZ 3.64Å; E480-R510 PolarHBondContact O-N 3.07Å; E480-R510 PolarHBondContact N-O 2.94Å; E480-R510 VanDerWaalsContact CD-NE 3.29Å; E480-R510 HydrophobicContact CB-CG 3.86Å; E480-R512 HydrophobicContact CB-CG 4.06Å
481F98.6Very high97.1Very high2 Ų238.7 Ų38.71%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-92.6139.7-179.3-62.4-83.7000110.8L176 F186 L330 V334 Q340 L475 L476 L479 Q508 A509L176-F481 HydrophobicContact CD1-CE1 3.76Å; L176-F481 HydrophobicContact CD1-CZ 4.08Å; F186-F481 HydrophobicContact CZ-CD1 4.22Å; F186-F481 HydrophobicContact CZ-CE1 4.19Å; L330-F481 HydrophobicContact CD2-CD1 4.32Å; L330-F481 HydrophobicContact CD2-CD2 3.89Å; L330-F481 HydrophobicContact CD2-CE1 4.21Å; L330-F481 HydrophobicContact CD2-CE2 3.79Å; L330-F481 HydrophobicContact CD2-CG 4.15Å; L330-F481 HydrophobicContact CD2-CZ 3.95Å; V334-F481 HydrophobicContact CG1-CB 3.83Å; Q340-F481 PolarHBondContact NE2-O 2.79Å; L475-F481 HydrophobicContact CB-CE2 4.18Å; L475-F481 HydrophobicContact CB-CZ 4.24Å; L476-F481 HydrophobicContact CD2-CD2 3.75Å; L476-F481 HydrophobicContact CD2-CE2 3.89Å; L479-F481 HydrophobicContact CB-CE2 4.22Å; L479-F481 HydrophobicContact CB-CZ 4.26Å; L479-F481 HydrophobicContact CD1-CZ 4.15Å; F481-Q508 WeakPolarHBondContact CA-O 3.23Å; F481-Q508 CarbonylContact C-O 3.57Å; F481-A509 HydrophobicContact CD1-CB 4.11Å; F481-A509 HydrophobicContact CE1-CB 4.12Å
482S98.4Very high97Very high43 Ų4342.7 Ų42.730%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-151.617217658.80000111Q508S482-Q508 PolarHBondContact N-O 2.88Å; S482-Q508 PolarHBondContact O-N 3.17Å
483V98Very high97Very high28 Ų2844.5 Ų44.517%0.1727%0.268CS..  trans-124.7151.4164-67.70000108.1V334 V489 F507V334-V483 HydrophobicContact CB-CG1 4.18Å; V334-V483 HydrophobicContact CG2-CG1 4.13Å; V483-V489 HydrophobicContact CB-CG2 4.4Å; V483-V489 HydrophobicContact CG1-CG2 4.06Å; V483-V489 HydrophobicContact CG2-CG2 3.81Å; V483-F507 HydrophobicContact CG1-CD2 4.14Å; V483-F507 HydrophobicContact CG1-CE2 4.29Å
484P96.5Very high96.9Very high40 Ų4049.2 Ų49.226%0.2629%0.292SS..  trans-56.8143.9177.2-2532.9000112.3G486 V487 H506P484-G486 PolarHBondContact O-N 3.37Å; P484-V487 HydrophobicContact CB-CG2 3.91Å; P484-V487 HydrophobicContact CG-CG2 4.26Å; P484-V487 WeakPolarHBondContact O-CB 3.46Å; P484-V487 WeakPolarHBondContact O-CG2 3.43Å; P484-V487 PolarHBondContact O-N 2.96Å; P484-H506 VanDerWaalsContact CD-O 3.25Å; P484-H506 WeakPolarHBondContact CD-O 3.44Å
485P94.3Very high96.9Very high137 Ų13751 Ų5189%0.8930%0.299SS*.THydrogen-bonded Turntrans-54137.4175.4-25.734.3000112.1V487P485-V487 VanDerWaalsContact C-N 3.3Å; P485-V487 PolarHBondContact O-N 3.5Å
486G91.9Very high96.9Very high89 Ų8951 Ų5192%0.91830%0.3SS*.THydrogen-bonded Turntrans85-9.5-179.900000115.2P484 K488P484-G486 PolarHBondContact O-N 3.37Å; G486-K488 PolarHBondContact O-N 2.94Å
487V94.4Very high96.8Very high45 Ų4552.2 Ų52.227%0.27331%0.306SS..  trans-73.9124.1172.4176.30000109.8P484 P485 V489 H506P484-V487 HydrophobicContact CB-CG2 3.91Å; P484-V487 HydrophobicContact CG-CG2 4.26Å; P484-V487 WeakPolarHBondContact O-CB 3.46Å; P484-V487 WeakPolarHBondContact O-CG2 3.43Å; P484-V487 PolarHBondContact O-N 2.96Å; P485-V487 VanDerWaalsContact C-N 3.3Å; P485-V487 PolarHBondContact O-N 3.5Å; V487-V489 PolarHBondContact O-N 2.82Å; V487-H506 HydrophobicContact CG1-CB 3.94Å
488K92.9Very high96.8Very high183 Ų18351.9 Ų51.980%0.79631%0.305SS*.  trans-77.9120.5175.4-173.2-176.9178.9-173.20110.1G486G486-K488 PolarHBondContact O-N 2.94Å
489V96.4Very high96.9Very high24 Ų2449.4 Ų49.415%0.14529%0.293CS..  trans-98.4115.5171.8-178.40000108.7M331 T335 V483 V487 L491M331-V489 HydrophobicContact CE-CG1 3.28Å; M331-V489 HydrophobicContact SD-CG1 4.11Å; T335-V489 HydrophobicContact CG2-CB 3.79Å; T335-V489 HydrophobicContact CG2-CG1 3.74Å; T335-V489 HydrophobicContact CG2-CG2 4.3Å; V483-V489 HydrophobicContact CB-CG2 4.4Å; V483-V489 HydrophobicContact CG1-CG2 4.06Å; V483-V489 HydrophobicContact CG2-CG2 3.81Å; V487-V489 PolarHBondContact O-N 2.82Å; V489-L491 HydrophobicContact CG1-CD2 4.18Å; V489-L491 PolarHBondContact O-N 2.86Å
490D97Very high96.9Very high66 Ų6650.4 Ų50.435%0.35330%0.298SS..  trans-86.3111178.5-169.6-2.4000111T492 A502D490-T492 WeakPolarHBondContact OD1-CB 3.29Å; D490-T492 PolarHBondContact OD1-N 3.09Å; D490-T492 PolarHBondContact OD1-OG1 2.83Å; D490-A502 HydrophobicContact CB-CB 4.21Å
491L97.2Very high96.8Very high55 Ų5549.2 Ų49.229%0.28829%0.292SS..  trans-93.49.2177.5-62.7178.8000112.9W328 M331 T335 V489 P493W328-L491 VanDerWaalsContact CH2-O 3.32Å; W328-L491 WeakPolarHBondContact CH2-O 3.46Å; W328-L491 HydrophobicContact CZ3-CB 4.46Å; W328-L491 HydrophobicContact CZ3-CD2 4.34Å; M331-L491 HydrophobicContact CB-CD2 3.78Å; M331-L491 HydrophobicContact CE-CD2 4.02Å; T335-L491 HydrophobicContact CG2-CD1 4.07Å; T335-L491 HydrophobicContact CG2-CD2 4.3Å; T335-L491 HydrophobicContact CG2-CG 4.34Å; V489-L491 HydrophobicContact CG1-CD2 4.18Å; V489-L491 PolarHBondContact O-N 2.86Å; L491-P493 VanDerWaalsContact O-CD 3.25Å; L491-P493 WeakPolarHBondContact O-CD 3.33Å
492T97.6Very high96.7Very high86 Ų8650.7 Ų50.753%0.52831%0.305SS..PPolyproline II helixtrans-69.5119.4178.4-500000109.9D490D490-T492 WeakPolarHBondContact OD1-CB 3.29Å; D490-T492 PolarHBondContact OD1-N 3.09Å; D490-T492 PolarHBondContact OD1-OG1 2.83Å
493P97.6Very high96.5Very high38 Ų3853.7 Ų53.725%0.24731%0.31CS..PPolyproline II helixtrans-67.5137.1178.1-18.431.8000111.7W328 L491 M499 K500W328-P493 HydrophobicContact CH2-CB 4.18Å; W328-P493 HydrophobicContact CH2-CG 3.85Å; W328-P493 HydrophobicContact CZ2-CB 3.97Å; W328-P493 HydrophobicContact CZ2-CG 4.08Å; L491-P493 VanDerWaalsContact O-CD 3.25Å; L491-P493 WeakPolarHBondContact O-CD 3.33Å; P493-M499 HydrophobicContact CB-CB 3.92Å; P493-M499 HydrophobicContact CB-CE 4.02Å; P493-M499 HydrophobicContact CB-CG 4.44Å; P493-M499 HydrophobicContact CB-SD 3.82Å; P493-M499 HydrophobicContact CG-CE 4.47Å; P493-K500 CarbonylContact C-O 3.45Å; P493-K500 WeakPolarHBondContact CA-O 3.28Å
494I98.1Very high96.4Very high98 Ų9852.8 Ų52.850%0.50330%0.304SS..BIsolated β-bridgetrans-91.4118.5171.3-57.6171.6000107.4M499 K500I494-M499 WeakPolarHBondContact O-CA 3.25Å; I494-M499 WeakPolarHBondContact O-CB 3.48Å; I494-K500 PolarHBondContact N-O 3.42Å; I494-K500 PolarHBondContact O-N 3.25Å
495Y98.1Very high96.3Very high37 Ų3756.5 Ų56.515%0.14532%0.318CS..PPolyproline II helixtrans-61139.2-175.2-176.7-110.4000113K59 P61 H62 S232 P383 F384 M499K59-Y495 VanDerWaalsContact O-CB 3.27Å; K59-Y495 WeakPolarHBondContact O-CB 2.87Å; P61-Y495 HydrophobicContact CG-CD1 4.11Å; P61-Y495 HydrophobicContact CG-CE1 3.61Å; P61-Y495 HydrophobicContact CG-CE2 4.32Å; H62-Y495 AromaticContact CE1-CD2 3.96Å; H62-Y495 AromaticContact ND1-CD2 3.42Å; H62-Y495 WeakPolarHBondContact ND1-CD2 3.19Å; H62-Y495 AromaticContact ND1-CE2 3.78Å; S232-Y495 PolarHBondContact O-OH 3.29Å; P383-Y495 HydrophobicContact CG-CD2 4.23Å; P383-Y495 HydrophobicContact CG-CE2 3.9Å; F384-Y495 HydrophobicContact CD2-CE2 4.07Å; F384-Y495 WeakPolarHBondContact CD2-OH 3.01Å; F384-Y495 AromaticContact CE2-CE2 3.99Å; F384-Y495 HydrophobicContact CE2-CE2 3.99Å; F384-Y495 WeakPolarHBondContact CE2-OH 3.47Å; Y495-M499 HydrophobicContact CD2-SD 4.38Å
496G97.4Very high96.5Very high2 Ų254.5 Ų54.52%0.02130%0.297CS..SBendtrans-178.3-177.817800000109.9V227 T498V227-G496 CarbonylContact O-C 3.43Å; V227-G496 WeakPolarHBondContact O-CA 3.3Å; G496-T498 VanDerWaalsContact C-N 3.25Å; G496-T498 PolarHBondContact O-N 3Å
497L97.7Very high96.8Very high24 Ų2450.2 Ų50.213%0.12625%0.253CS..SBendtrans-56.5-45.3170.1175.763.6000110.6F125 F226 V227 A230 I386F125-L497 HydrophobicContact CE1-CD2 4.39Å; F125-L497 HydrophobicContact CZ-CD2 3.9Å; F226-L497 HydrophobicContact CE1-CD2 3.99Å; V227-L497 HydrophobicContact CB-CB 4.12Å; V227-L497 PolarHBondContact O-N 2.89Å; A230-L497 HydrophobicContact CB-CD2 4.34Å; I386-L497 HydrophobicContact CG1-CD1 3.9Å
498T98.4Very high96.9Very high4 Ų451.1 Ų51.13%0.02525%0.254CS..SBendtrans-113.3127.5161.258.20000108.3V227 D320 T321 F381 V382 G496 K500V227-T498 WeakPolarHBondContact CG1-OG1 3.27Å; D320-T498 WeakPolarHBondContact OD2-CB 3.33Å; D320-T498 VanDerWaalsContact OD2-CG2 3.29Å; D320-T498 WeakPolarHBondContact OD2-CG2 3.35Å; D320-T498 PolarHBondContact OD2-OG1 2.84Å; T321-T498 HydrophobicContact CG2-CG2 3.93Å; F381-T498 HydrophobicContact CD2-CG2 4.47Å; F381-T498 CarbonylContact O-C 3.22Å; F381-T498 WeakPolarHBondContact O-CA 3.48Å; V382-T498 HydrophobicContact CG2-CG2 4.2Å; G496-T498 VanDerWaalsContact C-N 3.25Å; G496-T498 PolarHBondContact O-N 3Å; T498-K500 PolarHBondContact OG1-NZ 3.37Å
499M98.4Very high97.2Very high0 Ų042.8 Ų42.80%022%0.22CC..  trans-81.3120.2178.9-62.8-169.3-61.700109.9H62 T324 W328 S379 S380 F381 P383 P493 I494 Y495H62-M499 VanDerWaalsContact CE1-SD 3.53Å; T324-M499 WeakPolarHBondContact CG2-O 3.31Å; W328-M499 PolarHBondContact NE1-O 2.92Å; S379-M499 VanDerWaalsContact O-CE 3.28Å; S379-M499 WeakPolarHBondContact O-CE 3.37Å; S380-M499 VanDerWaalsContact O-CE 3.26Å; S380-M499 WeakPolarHBondContact O-CE 3.42Å; F381-M499 PolarHBondContact O-N 2.9Å; P383-M499 HydrophobicContact CB-CE 3.89Å; P383-M499 HydrophobicContact CB-SD 4.03Å; P383-M499 HydrophobicContact CG-CE 4.07Å; P383-M499 HydrophobicContact CG-CG 3.78Å; P383-M499 HydrophobicContact CG-SD 3.75Å; P493-M499 HydrophobicContact CB-CB 3.92Å; P493-M499 HydrophobicContact CB-CE 4.02Å; P493-M499 HydrophobicContact CB-CG 4.44Å; P493-M499 HydrophobicContact CB-SD 3.82Å; P493-M499 HydrophobicContact CG-CE 4.47Å; I494-M499 WeakPolarHBondContact O-CA 3.25Å; I494-M499 WeakPolarHBondContact O-CB 3.48Å; Y495-M499 HydrophobicContact CD2-SD 4.38Å
500K97.1Very high97.2Very high23 Ų2348.7 Ų48.710%0.124%0.239CC..BIsolated β-bridgetrans-89.3170.5173.9-50.7-51.6-166.7-1550110Y189 D320 T324 P493 I494 T498Y189-K500 HydrophobicContact CE2-CD 4.18Å; Y189-K500 WeakPolarHBondContact OH-CE 3.31Å; D320-K500 IonicContact OD1-NZ 2.85Å; D320-K500 PolarHBondContact OD1-NZ 3.23Å; D320-K500 IonicContact OD2-NZ 3.56Å; D320-K500 PolarHBondContact OD2-NZ 3.3Å; T324-K500 HydrophobicContact CG2-CD 4.19Å; T324-K500 PolarHBondContact OG1-NZ 2.87Å; P493-K500 CarbonylContact C-O 3.45Å; P493-K500 WeakPolarHBondContact CA-O 3.28Å; I494-K500 PolarHBondContact N-O 3.42Å; I494-K500 PolarHBondContact O-N 3.25Å; T498-K500 PolarHBondContact OG1-NZ 3.37Å
501H96.6Very high97.1Very high9 Ų948.7 Ų48.74%0.04224%0.239CC..  trans-104.2168.1163.954.581.8000109.7S327 W328 M331S327-H501 PolarHBondContact OG-CE1 2.87Å; S327-H501 PolarHBondContact OG-NE2 2.86Å; W328-H501 HydrophobicContact CH2-CB 3.79Å; W328-H501 HydrophobicContact CZ2-CB 3.89Å; W328-H501 HydrophobicContact CZ3-CB 4.2Å; M331-H501 HydrophobicContact CE-CB 4.28Å; M331-H501 WeakPolarHBondContact CG-NE2 3.37Å
502A96.1Very high97Very high33 Ų3348.4 Ų48.427%0.27323%0.234SC..  trans-59.2144.9168.900000110.3D490D490-A502 HydrophobicContact CB-CB 4.21Å
503R95.3Very high96.5Very high107 Ų10746.9 Ų46.940%0.40422%0.22SC..  trans-62.7139.2177.6-62.7-57.4-168.3130.7-1.7110.1D187 Y189 N190D187-R503 IonicContact OD1-NH1 3.18Å; D187-R503 IonicContact OD2-CZ 3.45Å; D187-R503 IonicContact OD2-NH1 3.69Å; D187-R503 PolarHBondContact OD2-NH1 2.9Å; Y189-R503 VanDerWaalsContact CD1-CZ 3.4Å; N190-R503 PolarHBondContact OD1-NH1 3.33Å
504C95Very high95.1Very high8 Ų850.6 Ų50.65%0.05425%0.247CC..  trans-129.799.7179.3-178.30000109.3P188 M331 H506 F507P188-C504 VanDerWaalsContact CD-O 3.26Å; P188-C504 WeakPolarHBondContact CD-O 3.13Å; M331-C504 HydrophobicContact CE-CB 4.38Å; M331-C504 HydrophobicContact SD-CB 4.2Å; C504-H506 PolarHBondContact O-N 3.31Å; C504-F507 HydrophobicContact CB-CD2 4.14Å; C504-F507 HydrophobicContact CB-CE2 3.91Å
505E96.1Very high93.3Very high119 Ų11952.7 Ų52.756%0.55626%0.258SS*.THydrogen-bonded Turntrans-82.9-1.4-175.2-60.2-178.2177.500113.4H185 F186 D187H185-E505 PolarHBondContact ND1-O 3.19Å; F186-E505 CarbonylContact C-O 3.6Å; F186-E505 PolarHBondContact N-O 2.97Å; F186-E505 CarbonylContact O-C 3.47Å; F186-E505 VanDerWaalsContact O-C 3.22Å; F186-E505 VanDerWaalsContact O-O 3.12Å; D187-E505 HydrophobicContact CB-CG 4.37Å
506H96.7Very high90.5Very high94 Ų9463.9 Ų63.944%0.43531%0.307SS..THydrogen-bonded Turntrans-96.715-173.4-54.8-60.3000113.8P484 V487 C504P484-H506 VanDerWaalsContact CD-O 3.25Å; P484-H506 WeakPolarHBondContact CD-O 3.44Å; V487-H506 HydrophobicContact CG1-CB 3.94Å; C504-H506 PolarHBondContact O-N 3.31Å
507F98Very high90.1Very high0 Ų067 Ų670%032%0.321CS..BIsolated β-bridgetrans-66.7139.1176.8-89.8-118.1000110.4H185 F186 P188 L330 M331 V334 V483 C504H185-F507 CarbonylContact C-O 3.58Å; H185-F507 WeakPolarHBondContact CA-O 3.41Å; F186-F507 WeakPolarHBondContact CD1-O 3.15Å; F186-F507 HydrophobicContact CD2-CB 3.89Å; F186-F507 HydrophobicContact CE1-CB 4.41Å; F186-F507 HydrophobicContact CE2-CB 3.61Å; F186-F507 HydrophobicContact CE2-CD1 4.41Å; F186-F507 HydrophobicContact CE2-CG 4.39Å; F186-F507 HydrophobicContact CG-CB 4.4Å; F186-F507 HydrophobicContact CZ-CB 3.89Å; F186-F507 PolarHBondContact N-O 2.94Å; F186-F507 WeakPolarHBondContact O-CB 3.47Å; F186-F507 PolarHBondContact O-N 2.91Å; P188-F507 HydrophobicContact CB-CD1 4Å; P188-F507 HydrophobicContact CB-CE1 4.2Å; P188-F507 HydrophobicContact CB-CG 4.18Å; P188-F507 HydrophobicContact CG-CD1 3.9Å; P188-F507 HydrophobicContact CG-CD2 3.64Å; P188-F507 HydrophobicContact CG-CE1 3.93Å; P188-F507 HydrophobicContact CG-CE2 3.69Å; P188-F507 HydrophobicContact CG-CG 3.75Å; P188-F507 HydrophobicContact CG-CZ 3.83Å; L330-F507 HydrophobicContact CB-CE1 3.88Å; L330-F507 HydrophobicContact CB-CZ 4.46Å; M331-F507 HydrophobicContact CG-CZ 4.33Å; M331-F507 HydrophobicContact SD-CE2 3.52Å; M331-F507 VanDerWaalsContact SD-CE2 3.52Å; M331-F507 HydrophobicContact SD-CZ 3.55Å; M331-F507 VanDerWaalsContact SD-CZ 3.55Å; V334-F507 HydrophobicContact CB-CE1 4.24Å; V334-F507 HydrophobicContact CB-CZ 4.24Å; V334-F507 HydrophobicContact CG1-CD1 3.81Å; V334-F507 HydrophobicContact CG1-CE1 3.3Å; V334-F507 HydrophobicContact CG1-CZ 3.78Å; V334-F507 HydrophobicContact CG2-CE1 3.91Å; V334-F507 HydrophobicContact CG2-CE2 4.04Å; V334-F507 HydrophobicContact CG2-CZ 3.43Å; V334-F507 VanDerWaalsContact CG2-CZ 3.43Å; V483-F507 HydrophobicContact CG1-CD2 4.14Å; V483-F507 HydrophobicContact CG1-CE2 4.29Å; C504-F507 HydrophobicContact CB-CD2 4.14Å; C504-F507 HydrophobicContact CB-CE2 3.91Å
508Q98.3Very high89.7Confident63 Ų6369.2 Ų69.229%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-122.8146.1172-60.9-172.8-48.600109.2M180 G184 F481 S482M180-Q508 HydrophobicContact CE-CB 3.85Å; M180-Q508 HydrophobicContact CE-CG 4.12Å; M180-Q508 HydrophobicContact SD-CB 4.11Å; M180-Q508 HydrophobicContact SD-CG 4.46Å; G184-Q508 PolarHBondContact O-NE2 2.88Å; F481-Q508 WeakPolarHBondContact CA-O 3.23Å; F481-Q508 CarbonylContact C-O 3.57Å; S482-Q508 PolarHBondContact N-O 2.88Å; S482-Q508 PolarHBondContact O-N 3.17Å
509A97.7Very high89.3Confident9 Ų972.8 Ų72.87%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-126.6138.1171.900000109.4M180 F186 L479 E480 F481M180-A509 HydrophobicContact CG-CB 4.34Å; M180-A509 VanDerWaalsContact CG-O 3.28Å; M180-A509 WeakPolarHBondContact CG-O 3.38Å; M180-A509 PolarHBondContact SD-N 2.91Å; M180-A509 VanDerWaalsContact SD-N 3.37Å; F186-A509 HydrophobicContact CE1-CB 3.85Å; F186-A509 HydrophobicContact CZ-CB 3.93Å; L479-A509 HydrophobicContact CD1-CB 4.4Å; L479-A509 HydrophobicContact CD2-CB 4.49Å; E480-A509 CarbonylContact O-C 3.46Å; E480-A509 WeakPolarHBondContact O-CA 3.28Å; F481-A509 HydrophobicContact CD1-CB 4.11Å; F481-A509 HydrophobicContact CE1-CB 4.12Å
510R96.7Very high88.7Confident148 Ų14877.1 Ų77.156%0.55837%0.369SS*.EExtended strand (participates in β ladder)trans-124.6143.3171.866.1178.5-173.6-176.6-2.1110.3L479 E480 R512L479-R510 VanDerWaalsContact CA-O 3.29Å; L479-R510 CarbonylContact C-O 3.51Å; L479-R510 WeakPolarHBondContact CA-O 3.48Å; E480-R510 IonicContact OE1-NE 2.96Å; E480-R510 PolarHBondContact OE2-NH2 3.26Å; E480-R510 IonicContact OE2-NH2 2.64Å; E480-R510 PolarHBondContact OE2-NE 2.85Å; E480-R510 IonicContact OE2-NE 3.91Å; E480-R510 IonicContact OE2-CZ 3.98Å; E480-R510 PolarHBondContact OE1-NH2 3.01Å; E480-R510 IonicContact OE1-NH2 2.79Å; E480-R510 IonicContact OE1-CZ 3.64Å; E480-R510 PolarHBondContact O-N 3.07Å; E480-R510 PolarHBondContact N-O 2.94Å; E480-R510 VanDerWaalsContact CD-NE 3.29Å; E480-R510 HydrophobicContact CB-CG 3.86Å; R510-R512 PolarHBondContact O-N 3.03Å
511L96.3Very high88.2Confident66 Ų6680.5 Ų80.535%0.34639%0.386SS..EExtended strand (participates in β ladder)trans-61.8132.9167.8-74.1172.5000109.5Q478 L479 F513 I515Q478-L511 WeakPolarHBondContact O-CA 3.36Å; L479-L511 HydrophobicContact CD2-CD2 3.91Å; L479-L511 HydrophobicContact CD2-CG 4.42Å; L511-F513 VanDerWaalsContact C-N 3.28Å; L511-I515 HydrophobicContact CD1-CD1 4.22Å; L511-I515 HydrophobicContact CD1-CG1 4.25Å
512R94.6Very high87.6Confident48 Ų4885.3 Ų85.318%0.18141%0.409CS..SBendtrans-74.2-24.1175.8-67.1178.464.7-144-17.6112.3Q344 D348 L476 Q477 Q478 L479 E480 R510Q344-R512 VanDerWaalsContact CB-CZ 3.44Å; Q344-R512 VanDerWaalsContact CD-NE 3.35Å; D348-R512 IonicContact OD1-CZ 2.63Å; D348-R512 IonicContact OD1-NH1 2.81Å; D348-R512 PolarHBondContact OD1-NH1 3.26Å; D348-R512 VanDerWaalsContact OD1-NH1 3.11Å; D348-R512 IonicContact OD1-NH2 2.89Å; D348-R512 PolarHBondContact OD1-NH2 3.17Å; D348-R512 IonicContact OD2-NH2 3.39Å; D348-R512 PolarHBondContact OD2-NH2 3.25Å; L476-R512 VanDerWaalsContact O-CD 3.27Å; L476-R512 WeakPolarHBondContact O-CD 3.36Å; L476-R512 PolarHBondContact O-NH1 3.48Å; Q477-R512 PolarHBondContact O-NH1 3.32Å; Q478-R512 PolarHBondContact O-N 3.33Å; L479-R512 WeakPolarHBondContact O-CD 3.47Å; E480-R512 HydrophobicContact CB-CG 4.06Å; R510-R512 PolarHBondContact O-N 3.03Å
513F86.8Confident87Confident55 Ų5589 Ų8924%0.24142%0.419CS..SBendtrans-131.3136.7-176.9-44.6-54000109.5R353 Q477 L511R353-F513 HydrophobicContact CG-CD2 4.37Å; R353-F513 HydrophobicContact CG-CE2 3.88Å; R353-F513 HydrophobicContact CG-CZ 4Å; R353-F513 VanDerWaalsContact NH1-CD1 3.31Å; Q477-F513 VanDerWaalsContact O-CE2 3.28Å; Q477-F513 WeakPolarHBondContact O-CE2 3.22Å; L511-F513 VanDerWaalsContact C-N 3.28Å
514S68.6Low86.4Confident115 Ų11587.6 Ų87.680%0.80442%0.42SS*.  trans-66.7132.7169.3-61.60000109.5K516S514-K516 PolarHBondContact O-N 3.15Å; S514-K516 VanDerWaalsContact O-N 3.17Å
515I59.2Low85.7Confident143 Ų14394.3 Ų94.373%0.73345%0.45SS*.  trans-63.2115.2166.4-54.3173.1000105.6L511L511-I515 HydrophobicContact CD1-CD1 4.22Å; L511-I515 HydrophobicContact CD1-CG1 4.25Å
516K39.4Very low84.7Confident271 Ų27192 Ų92100%1.17844%0.441SS*.  trans-82.20171.6-89.3-167.5177-174.60110.2S514S514-K516 PolarHBondContact O-N 3.15Å; S514-K516 VanDerWaalsContact O-N 3.17Å

Retrieved 516 of 516 residues in 2051 ms (Link to these results)

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