A0A096M5D4_POEFO Loading...

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase

AlphaFold DB , UniProt , Accession A0A096M5D4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 332 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
1N54.6Low59.4Low174 Ų174128.3 Ų128.393%0.9364%0.637SS**  0-50.50-72.1-2.5000115.2I3 R4 H5N1-I3 PolarHBondContact O-N 2.83Å; N1-R4 PolarHBondContact O-N 3.07Å; N1-H5 PolarHBondContact O-CD2 2.89Å; N1-H5 PolarHBondContact O-N 3.01Å
2K50.9Low60.1Low196 Ų196124.8 Ų124.885%0.85262%0.622SS**Hα-helixtrans-60.5-40.4-179.9-104.1178.1175.3178.80115.4H5 S6K2-H5 PolarHBondContact O-N 3Å; K2-S6 PolarHBondContact O-N 3.23Å; K2-S6 VanDerWaalsContact O-N 3.14Å
3I52.3Low61.2Low140 Ų140123.1 Ų123.172%0.71861%0.611SS**Hα-helixtrans-70-40.8-177.9-59.4170000111.5N1 H5 S6 V7N1-I3 PolarHBondContact O-N 2.83Å; I3-H5 PolarHBondContact O-N 3.5Å; I3-S6 PolarHBondContact O-N 3.31Å; I3-V7 WeakPolarHBondContact O-CG2 2.68Å; I3-V7 PolarHBondContact O-N 2.87Å
4R47.5Very low61.9Low195 Ų195123.6 Ų123.674%0.73661%0.608SS**Hα-helixtrans-63.9-38.7177.4-171.3-179.2-88.9-174.1-6.4111.8N1 V8N1-R4 PolarHBondContact O-N 3.07Å; R4-V8 VanDerWaalsContact O-CG2 3.29Å; R4-V8 WeakPolarHBondContact O-CG2 3.46Å; R4-V8 PolarHBondContact O-N 2.99Å
5H53.4Low62.6Low132 Ų132120.7 Ų120.761%0.61160%0.595SS**Hα-helixtrans-66.2-38.7173.4-90.6-85.2000112.9N1 K2 I3 N9N1-H5 PolarHBondContact O-CD2 2.89Å; N1-H5 PolarHBondContact O-N 3.01Å; K2-H5 PolarHBondContact O-N 3Å; I3-H5 PolarHBondContact O-N 3.5Å; H5-N9 WeakPolarHBondContact O-CB 3.14Å; H5-N9 PolarHBondContact O-N 2.97Å
6S56.9Low63.1Low63 Ų63119.5 Ų119.544%0.44159%0.591SS.*Hα-helixtrans-66.3-38.8177.9-169.20000112.6K2 I3 N10K2-S6 PolarHBondContact O-N 3.23Å; K2-S6 VanDerWaalsContact O-N 3.14Å; I3-S6 PolarHBondContact O-N 3.31Å; S6-N10 WeakPolarHBondContact O-CB 3.21Å; S6-N10 PolarHBondContact O-N 2.81Å; S6-N10 PolarHBondContact O-ND2 3.14Å
7V63.1Low63.6Low93 Ų93118.6 Ų118.656%0.56459%0.585SS**Hα-helixtrans-69.4-41.3178.7174.90000111.2I3 N10 F11I3-V7 WeakPolarHBondContact O-CG2 2.68Å; I3-V7 PolarHBondContact O-N 2.87Å; V7-N10 PolarHBondContact O-N 2.82Å; V7-F11 WeakPolarHBondContact O-CB 3.1Å; V7-F11 PolarHBondContact O-N 3.44Å
8V68.4Low63.8Low75 Ų75114.4 Ų114.446%0.45557%0.567SS.*Hα-helixtrans-66-40.9177.2173.20000111.4R4 F11 L12R4-V8 VanDerWaalsContact O-CG2 3.29Å; R4-V8 WeakPolarHBondContact O-CG2 3.46Å; R4-V8 PolarHBondContact O-N 2.99Å; V8-F11 PolarHBondContact O-N 3.27Å; V8-L12 HydrophobicContact CG1-CD1 3.89Å; V8-L12 WeakPolarHBondContact O-CB 3.44Å; V8-L12 WeakPolarHBondContact O-CG 3.49Å; V8-L12 PolarHBondContact O-N 3.49Å
9N67.6Low64.2Low100 Ų100117.6 Ų117.654%0.53557%0.573SS.*Hα-helixtrans-65.4-41.6175.9-83.43.8000112.4H5 F11 L12 Q13H5-N9 WeakPolarHBondContact O-CB 3.14Å; H5-N9 PolarHBondContact O-N 2.97Å; N9-F11 VanDerWaalsContact C-N 3.32Å; N9-F11 PolarHBondContact O-N 3.42Å; N9-L12 PolarHBondContact O-N 3.02Å; N9-Q13 VanDerWaalsContact O-CB 3.3Å; N9-Q13 WeakPolarHBondContact O-CB 3.14Å; N9-Q13 PolarHBondContact O-N 3.48Å
10N67.8Low64.3Low107 Ų107115.2 Ų115.257%0.57257%0.566SS**Hα-helixtrans-66.6-35.1177.1-70.9-9.2000112.1S6 V7 Q13 F14S6-N10 WeakPolarHBondContact O-CB 3.21Å; S6-N10 PolarHBondContact O-N 2.81Å; S6-N10 PolarHBondContact O-ND2 3.14Å; V7-N10 PolarHBondContact O-N 2.82Å; N10-Q13 PolarHBondContact O-N 3.28Å; N10-F14 PolarHBondContact O-N 3.45Å
11F70.5Confident64.2Low136 Ų136114.8 Ų114.860%0.59656%0.564SS**Hα-helixtrans-70.2-42.3176.3-169.9-105.9000112.2V7 V8 N9 Q13 F14 I15V7-F11 WeakPolarHBondContact O-CB 3.1Å; V7-F11 PolarHBondContact O-N 3.44Å; V8-F11 PolarHBondContact O-N 3.27Å; N9-F11 VanDerWaalsContact C-N 3.32Å; N9-F11 PolarHBondContact O-N 3.42Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 3.46Å; F11-F14 PolarHBondContact O-N 3.33Å; F11-I15 HydrophobicContact CD1-CD1 3.71Å; F11-I15 HydrophobicContact CE1-CD1 3.41Å; F11-I15 VanDerWaalsContact CE1-CD1 3.41Å; F11-I15 HydrophobicContact CE1-CG1 4.36Å; F11-I15 HydrophobicContact CZ-CD1 4.05Å; F11-I15 WeakPolarHBondContact O-CG1 2.96Å; F11-I15 PolarHBondContact O-N 2.99Å
12L68.8Low64.3Low87 Ų87114 Ų11446%0.45555%0.549SS..Hα-helixtrans-62.5-39.7173.3-78.1164000111.8V8 N9 I15 L16V8-L12 HydrophobicContact CG1-CD1 3.89Å; V8-L12 WeakPolarHBondContact O-CB 3.44Å; V8-L12 WeakPolarHBondContact O-CG 3.49Å; V8-L12 PolarHBondContact O-N 3.49Å; N9-L12 PolarHBondContact O-N 3.02Å; L12-I15 PolarHBondContact O-N 3.04Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.01Å; L12-L16 PolarHBondContact O-N 2.81Å
13Q73.4Confident64.4Low102 Ų102106.1 Ų106.148%0.47752%0.521SS..Hα-helixtrans-62.4-43.2176.2-168.865.621.900111.6N9 N10 F11 I15 L16 E17N9-Q13 VanDerWaalsContact O-CB 3.3Å; N9-Q13 WeakPolarHBondContact O-CB 3.14Å; N9-Q13 PolarHBondContact O-N 3.48Å; N10-Q13 PolarHBondContact O-N 3.28Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 3.46Å; Q13-I15 PolarHBondContact O-N 2.91Å; Q13-L16 PolarHBondContact O-N 3.36Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.03Å; Q13-E17 PolarHBondContact NE2-OE1 2.93Å; Q13-E17 VanDerWaalsContact NE2-OE1 3.14Å; Q13-E17 WeakPolarHBondContact O-CB 3.33Å; Q13-E17 WeakPolarHBondContact O-CG 3.49Å; Q13-E17 PolarHBondContact O-N 3.17Å
14F71.5Confident64.4Low130 Ų130104.6 Ų104.657%0.5751%0.513SS*.Hα-helixtrans-64.6-37.9175.7-168-97.4000112.7N10 F11 E17 T18N10-F14 PolarHBondContact O-N 3.45Å; F11-F14 PolarHBondContact O-N 3.33Å; F14-E17 PolarHBondContact O-N 2.04Å; F14-T18 HydrophobicContact CD1-CG2 4.23Å; F14-T18 HydrophobicContact CE1-CG2 3.92Å; F14-T18 HydrophobicContact CZ-CG2 4.26Å; F14-T18 WeakPolarHBondContact O-CB 3.43Å; F14-T18 WeakPolarHBondContact O-CG2 3.33Å; F14-T18 PolarHBondContact O-N 2.95Å; F14-T18 PolarHBondContact O-OG1 3.42Å
15I72.7Confident64.5Low81 Ų81101.1 Ų101.142%0.41551%0.509SS..Hα-helixtrans-65.1-41.4173.3-69.2171.7000111F11 L12 Q13 T18 Y19F11-I15 HydrophobicContact CD1-CD1 3.71Å; F11-I15 HydrophobicContact CE1-CD1 3.41Å; F11-I15 VanDerWaalsContact CE1-CD1 3.41Å; F11-I15 HydrophobicContact CE1-CG1 4.36Å; F11-I15 HydrophobicContact CZ-CD1 4.05Å; F11-I15 WeakPolarHBondContact O-CG1 2.96Å; F11-I15 PolarHBondContact O-N 2.99Å; L12-I15 PolarHBondContact O-N 3.04Å; Q13-I15 PolarHBondContact O-N 2.91Å; I15-T18 WeakPolarHBondContact CA-OG1 3.37Å; I15-T18 PolarHBondContact O-OG1 3.02Å; I15-Y19 WeakPolarHBondContact O-CB 3.4Å; I15-Y19 PolarHBondContact O-N 3.3Å
16L70.2Confident64.2Low101 Ų10199.5 Ų99.553%0.52951%0.512SS..Hα-helixtrans-66.9-38.9176.7-98.5130.8000112.4L12 Q13 T20L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.01Å; L12-L16 PolarHBondContact O-N 2.81Å; Q13-L16 PolarHBondContact O-N 3.36Å; L16-T20 WeakPolarHBondContact O-CB 3.44Å; L16-T20 VanDerWaalsContact O-CG2 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.03Å; L16-T20 PolarHBondContact O-N 2.88Å; L16-T20 PolarHBondContact O-OG1 2.97Å
17E72.3Confident63.6Low104 Ų104104.6 Ų104.649%0.48653%0.527SS..Hα-helixtrans-69.7-41.5177.5-74.8172.1-168.400111.8Q13 F14 T20 M21Q13-E17 WeakPolarHBondContact CG-OE1 3.03Å; Q13-E17 PolarHBondContact NE2-OE1 2.93Å; Q13-E17 VanDerWaalsContact NE2-OE1 3.14Å; Q13-E17 WeakPolarHBondContact O-CB 3.33Å; Q13-E17 WeakPolarHBondContact O-CG 3.49Å; Q13-E17 PolarHBondContact O-N 3.17Å; F14-E17 PolarHBondContact O-N 2.04Å; E17-T20 VanDerWaalsContact CA-OG1 3.3Å; E17-T20 WeakPolarHBondContact CA-OG1 3.39Å; E17-T20 PolarHBondContact O-N 3.42Å; E17-T20 PolarHBondContact O-OG1 3.47Å; E17-M21 WeakPolarHBondContact O-CB 3.04Å; E17-M21 PolarHBondContact O-N 3.09Å
18T66.5Low62.5Low44 Ų44105.5 Ų105.527%0.2753%0.528SS..Hα-helixtrans-65.8-44.4172.948.60000111.4F14 I15 T20 M21 Y22F14-T18 HydrophobicContact CD1-CG2 4.23Å; F14-T18 HydrophobicContact CE1-CG2 3.92Å; F14-T18 HydrophobicContact CZ-CG2 4.26Å; F14-T18 WeakPolarHBondContact O-CB 3.43Å; F14-T18 WeakPolarHBondContact O-CG2 3.33Å; F14-T18 PolarHBondContact O-N 2.95Å; F14-T18 PolarHBondContact O-OG1 3.42Å; I15-T18 WeakPolarHBondContact CA-OG1 3.37Å; I15-T18 PolarHBondContact O-OG1 3.02Å; T18-T20 PolarHBondContact O-N 3.4Å; T18-M21 PolarHBondContact O-N 3.1Å; T18-Y22 VanDerWaalsContact O-CD2 3.27Å; T18-Y22 WeakPolarHBondContact O-CD2 2.94Å; T18-Y22 PolarHBondContact O-N 3.11Å
19Y72.3Confident61Low174 Ų174105.6 Ų105.668%0.68255%0.545SS*.Hα-helixtrans-64.1-38.5176.9-170.8-95.9000112.8I15 Y22 A23I15-Y19 WeakPolarHBondContact O-CB 3.4Å; I15-Y19 PolarHBondContact O-N 3.3Å; Y19-Y22 PolarHBondContact O-N 3.02Å; Y19-A23 WeakPolarHBondContact O-CB 3.5Å; Y19-A23 PolarHBondContact O-N 3Å
20T65.5Low59.6Low69 Ų69106.6 Ų106.642%0.42355%0.554SS.*Hα-helixtrans-69.9-36.2175.246.90000111.9L16 E17 T18 A23 L24L16-T20 WeakPolarHBondContact O-CB 3.44Å; L16-T20 VanDerWaalsContact O-CG2 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.03Å; L16-T20 PolarHBondContact O-N 2.88Å; L16-T20 PolarHBondContact O-OG1 2.97Å; E17-T20 VanDerWaalsContact CA-OG1 3.3Å; E17-T20 WeakPolarHBondContact CA-OG1 3.39Å; E17-T20 PolarHBondContact O-N 3.42Å; E17-T20 PolarHBondContact O-OG1 3.47Å; T18-T20 PolarHBondContact O-N 3.4Å; T20-A23 PolarHBondContact O-N 3.12Å; T20-L24 VanDerWaalsContact O-CB 3.3Å; T20-L24 WeakPolarHBondContact O-CB 3.27Å; T20-L24 WeakPolarHBondContact O-CD1 3.48Å; T20-L24 VanDerWaalsContact O-CG 3.23Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 3.16Å
21M61.5Low58.4Low108 Ų108108.4 Ų108.453%0.53256%0.559SS.*Hα-helixtrans-64.4-45.3171.4-173.117774.700112E17 T18 L24 L25E17-M21 WeakPolarHBondContact O-CB 3.04Å; E17-M21 PolarHBondContact O-N 3.09Å; T18-M21 PolarHBondContact O-N 3.1Å; M21-L24 PolarHBondContact O-N 3.42Å; M21-L25 HydrophobicContact CG-CD1 4.5Å; M21-L25 WeakPolarHBondContact O-CG 3.39Å; M21-L25 PolarHBondContact O-N 3.5Å
22Y57Low56.9Low157 Ų157105 Ų10562%0.61656%0.556SS**Hα-helixtrans-61-43.2171.8-89.7-80.2000111.4T18 Y19 L24 L25 S26T18-Y22 VanDerWaalsContact O-CD2 3.27Å; T18-Y22 WeakPolarHBondContact O-CD2 2.94Å; T18-Y22 PolarHBondContact O-N 3.11Å; Y19-Y22 PolarHBondContact O-N 3.02Å; Y22-L24 VanDerWaalsContact C-N 3.33Å; Y22-L24 PolarHBondContact O-N 2.95Å; Y22-L25 PolarHBondContact O-N 2.86Å; Y22-S26 WeakPolarHBondContact O-CB 3.3Å; Y22-S26 PolarHBondContact O-N 2.93Å; Y22-S26 PolarHBondContact O-OG 2.9Å
23A53.6Low56.5Low30 Ų30104.1 Ų104.125%0.24855%0.554CS.*Hα-helixtrans-68.1-29.9177.500000113Y19 T20 S26 K27Y19-A23 WeakPolarHBondContact O-CB 3.5Å; Y19-A23 PolarHBondContact O-N 3Å; T20-A23 PolarHBondContact O-N 3.12Å; A23-S26 PolarHBondContact O-N 3.01Å; A23-K27 VanDerWaalsContact O-CB 3.22Å; A23-K27 WeakPolarHBondContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CG 3.45Å; A23-K27 PolarHBondContact O-N 3.37Å
24L51.8Low57Low108 Ų108106.7 Ų106.757%0.56556%0.564SS**Hα-helixtrans-72.1-39.9172.6-79.8160.9000111.4T20 M21 Y22 S26 K27 N28T20-L24 VanDerWaalsContact O-CB 3.3Å; T20-L24 WeakPolarHBondContact O-CB 3.27Å; T20-L24 WeakPolarHBondContact O-CD1 3.48Å; T20-L24 VanDerWaalsContact O-CG 3.23Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 3.16Å; M21-L24 PolarHBondContact O-N 3.42Å; Y22-L24 VanDerWaalsContact C-N 3.33Å; Y22-L24 PolarHBondContact O-N 2.95Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.2Å; L24-K27 PolarHBondContact O-N 3.3Å; L24-N28 PolarHBondContact O-N 3.37Å; L24-N28 VanDerWaalsContact O-N 3.08Å
25L50Low58Low123 Ų123101 Ų10164%0.64454%0.542SS*.Hα-helixtrans-63.9-31169.9-70.7167.4000112.1M21 Y22 N28M21-L25 HydrophobicContact CG-CD1 4.5Å; M21-L25 WeakPolarHBondContact O-CG 3.39Å; M21-L25 PolarHBondContact O-N 3.5Å; Y22-L25 PolarHBondContact O-N 2.86Å; L25-N28 VanDerWaalsContact O-O 3.12Å
26S47.2Very low59.1Low98 Ų9897.1 Ų97.169%0.68552%0.522SS*.Hα-helixtrans-82.6-25175.5-550000114.1Y22 A23 L24Y22-S26 WeakPolarHBondContact O-CB 3.3Å; Y22-S26 PolarHBondContact O-N 2.93Å; Y22-S26 PolarHBondContact O-OG 2.9Å; A23-S26 PolarHBondContact O-N 3.01Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.2Å
27K44.9Very low60.4Low170 Ų17093.9 Ų93.974%0.73951%0.506SS*.Hα-helixtrans-88.3-27.8-177.9-82.8179.7178.8-1750113.3A23 L24 G29A23-K27 VanDerWaalsContact O-CB 3.22Å; A23-K27 WeakPolarHBondContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CG 3.45Å; A23-K27 PolarHBondContact O-N 3.37Å; L24-K27 PolarHBondContact O-N 3.3Å; K27-G29 PolarHBondContact O-N 2.64Å
28N40.1Very low61.6Low111 Ų11193.1 Ų93.159%0.59451%0.511SS*.SBendtrans-88100.8163.4-75.9-14.9000106.9L24 L25 V30L24-N28 PolarHBondContact O-N 3.37Å; L24-N28 VanDerWaalsContact O-N 3.08Å; L25-N28 VanDerWaalsContact O-O 3.12Å; N28-V30 HydrophobicContact CB-CG2 4.24Å; N28-V30 PolarHBondContact O-N 2.76Å
29G36.7Very low63.1Low78 Ų7896.1 Ų96.180%0.80453%0.525SS*.  trans-65.249.1169.400000112.7K27 Q31K27-G29 PolarHBondContact O-N 2.64Å; G29-Q31 PolarHBondContact O-N 2.8Å
30V38.2Very low64.3Low120 Ų12088 Ų8873%0.72749%0.493SS*.  trans-73.982.3160.8-175.50000104.5N28 A32N28-V30 HydrophobicContact CB-CG2 4.24Å; N28-V30 PolarHBondContact O-N 2.76Å; V30-A32 PolarHBondContact O-N 3.47Å
31Q41.8Very low65.9Low145 Ų14588.8 Ų88.868%0.67849%0.491SS*.  trans-46.4119152-103.4169.8-2800105.4G29 T33G29-Q31 PolarHBondContact O-N 2.8Å; Q31-T33 VanDerWaalsContact C-N 3.3Å; Q31-T33 PolarHBondContact O-N 3.47Å
32A39.3Very low67.6Low66 Ų6690.2 Ų90.255%0.54550%0.496SS..  trans-55.1105.2167.600000106V30 F34V30-A32 PolarHBondContact O-N 3.47Å; A32-F34 VanDerWaalsContact C-N 3.28Å; A32-F34 HydrophobicContact CB-CE2 4.18Å; A32-F34 HydrophobicContact CB-CZ 4.15Å; A32-F34 WeakPolarHBondContact O-CD2 3.5Å; A32-F34 PolarHBondContact O-N 3.12Å
33T59.8Low69.6Low67 Ų6785.2 Ų85.241%0.41148%0.479SS..  trans-74.991.2177.443.50000105.6Q31 G35 S171 C172Q31-T33 VanDerWaalsContact C-N 3.3Å; Q31-T33 PolarHBondContact O-N 3.47Å; T33-G35 PolarHBondContact O-N 2.83Å; T33-S171 VanDerWaalsContact CB-OG 3.25Å; T33-S171 WeakPolarHBondContact CB-OG 3.36Å; T33-S171 PolarHBondContact OG1-OG 2.72Å; T33-C172 WeakPolarHBondContact CB-O 3.09Å
34F83.6Confident71.8Confident157 Ų15783.9 Ų83.969%0.68947%0.468SS*.  trans-62127.3170.7-61-79.4000107.6A32 C172A32-F34 VanDerWaalsContact C-N 3.28Å; A32-F34 HydrophobicContact CB-CE2 4.18Å; A32-F34 HydrophobicContact CB-CZ 4.15Å; A32-F34 WeakPolarHBondContact O-CD2 3.5Å; A32-F34 PolarHBondContact O-N 3.12Å; F34-C172 WeakPolarHBondContact O-CB 3.11Å; F34-C172 PolarHBondContact O-N 3.34Å
35G92.8Very high74Confident9 Ų979.6 Ų79.69%0.09345%0.445CS..  trans-67.2-171.3168.800000112.2T33 T37T33-G35 PolarHBondContact O-N 2.83Å; G35-T37 PolarHBondContact O-N 3.48Å
36T96.6Very high76.2Confident1 Ų175.3 Ų75.31%0.00643%0.431CS..SBendtrans-51.1139.6173.9-63.20000110.8P38 I40 I157 W158 C159 F167 D168 F169 C172T36-P38 WeakPolarHBondContact O-CD 3.37Å; T36-I40 HydrophobicContact CG2-CB 4.22Å; T36-I40 HydrophobicContact CG2-CD1 4.02Å; T36-I40 HydrophobicContact CG2-CG2 3.72Å; T36-I157 CarbonylContact C-O 3.58Å; T36-I157 WeakPolarHBondContact CA-O 3.34Å; T36-W158 HydrophobicContact CG2-CB 4.02Å; T36-W158 WeakPolarHBondContact OG1-CA 3.48Å; T36-C159 PolarHBondContact OG1-N 3.48Å; T36-C159 VanDerWaalsContact OG1-N 3.08Å; T36-C159 PolarHBondContact OG1-O 3.19Å; T36-F167 HydrophobicContact CG2-CB 4.03Å; T36-F167 HydrophobicContact CG2-CD1 3.88Å; T36-F167 HydrophobicContact CG2-CG 4.08Å; T36-D168 VanDerWaalsContact CB-O 3.23Å; T36-D168 WeakPolarHBondContact CB-O 3.44Å; T36-D168 PolarHBondContact N-O 2.89Å; T36-D168 PolarHBondContact OG1-O 2.86Å; T36-F169 HydrophobicContact CG2-CD1 4.17Å; T36-F169 HydrophobicContact CG2-CE1 3.76Å; T36-F169 HydrophobicContact CG2-CZ 4.28Å; T36-F169 WeakPolarHBondContact O-CD1 3.41Å; T36-C172 PolarHBondContact N-SG 3.07Å; T36-C172 VanDerWaalsContact N-SG 3.42Å
37T97.5Very high78.6Confident32 Ų3273.8 Ų73.820%0.19641%0.41CS..PPolyproline II helixtrans-56.2125.7-179.5-55.60000110.5G35 N39 I40 I43 L156 I157G35-T37 PolarHBondContact O-N 3.48Å; T37-N39 PolarHBondContact O-N 3.46Å; T37-I40 VanDerWaalsContact O-CB 3.31Å; T37-I40 WeakPolarHBondContact O-CB 3.47Å; T37-I40 PolarHBondContact O-N 2.97Å; T37-I40 VanDerWaalsContact O-N 3.13Å; T37-I43 HydrophobicContact CG2-CD1 4.01Å; T37-L156 HydrophobicContact CG2-CD2 4.05Å; T37-I157 PolarHBondContact N-O 3.06Å; T37-I157 PolarHBondContact OG1-N 2.81Å; T37-I157 PolarHBondContact OG1-O 2.83Å
38P97.1Very high81.1Confident89 Ų8965.8 Ų65.858%0.57838%0.376SS*.THydrogen-bonded Turntrans-55.7138.2178.3-27.535.2000111.8T36 I40 I43T36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-I40 PolarHBondContact O-N 3.04Å; P38-I43 WeakPolarHBondContact O-CD1 3.29Å
39N97.7Very high83.6Confident106 Ų10665.4 Ų65.457%0.56737%0.369SS*.THydrogen-bonded Turntrans6126.3-177.9-53-65.1000114.8T37 K41 H42 I43T37-N39 PolarHBondContact O-N 3.46Å; N39-K41 PolarHBondContact O-N 3.35Å; N39-K41 VanDerWaalsContact O-N 3.09Å; N39-H42 HydrophobicContact CB-CB 4.42Å; N39-H42 PolarHBondContact O-N 2.93Å; N39-I43 WeakPolarHBondContact O-CG1 3.4Å; N39-I43 PolarHBondContact O-N 3.04Å
40I98.3Very high86.3Confident3 Ų364.4 Ų64.42%0.01535%0.347CS..Hα-helixtrans-47.5-42.3-178-175.1164.5000113.5T36 T37 P38 H42 I43 V44 W85 F88 L156 W158 F169T36-I40 HydrophobicContact CG2-CB 4.22Å; T36-I40 HydrophobicContact CG2-CD1 4.02Å; T36-I40 HydrophobicContact CG2-CG2 3.72Å; T37-I40 VanDerWaalsContact O-CB 3.31Å; T37-I40 WeakPolarHBondContact O-CB 3.47Å; T37-I40 PolarHBondContact O-N 2.97Å; T37-I40 VanDerWaalsContact O-N 3.13Å; P38-I40 PolarHBondContact O-N 3.04Å; I40-H42 PolarHBondContact O-N 3.21Å; I40-I43 PolarHBondContact O-N 2.72Å; I40-V44 HydrophobicContact CG1-CG2 4.04Å; I40-V44 WeakPolarHBondContact O-CB 3.45Å; I40-V44 WeakPolarHBondContact O-CG2 3.21Å; I40-V44 PolarHBondContact O-N 2.88Å; I40-W85 HydrophobicContact CB-CH2 4.33Å; I40-W85 HydrophobicContact CG1-CH2 3.97Å; I40-W85 HydrophobicContact CG1-CZ3 4.01Å; I40-W85 HydrophobicContact CG2-CH2 3.8Å; I40-F88 HydrophobicContact CD1-CE1 4.21Å; I40-F88 HydrophobicContact CD1-CZ 4.25Å; I40-L156 HydrophobicContact CG1-CD1 4.33Å; I40-W158 HydrophobicContact CD1-CB 3.69Å; I40-W158 HydrophobicContact CD1-CE3 4.26Å; I40-W158 HydrophobicContact CD1-CG 4.33Å; I40-F169 HydrophobicContact CG2-CE1 4.35Å; I40-F169 HydrophobicContact CG2-CZ 4.4Å
41K98.3Very high88.9Confident87 Ų8758.8 Ų58.838%0.37831%0.313SS..Hα-helixtrans-55.3-54175.8179.6168.4-175.1170.60112.3N39 I43 V44 I45 W85N39-K41 PolarHBondContact O-N 3.35Å; N39-K41 VanDerWaalsContact O-N 3.09Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-I43 PolarHBondContact O-N 3.49Å; K41-V44 PolarHBondContact O-N 3.23Å; K41-I45 HydrophobicContact CD-CD1 4.33Å; K41-I45 HydrophobicContact CG-CD1 3.64Å; K41-I45 HydrophobicContact CG-CG1 4.49Å; K41-I45 WeakPolarHBondContact O-CB 3.41Å; K41-I45 WeakPolarHBondContact O-CG1 3.34Å; K41-I45 PolarHBondContact O-N 2.96Å; K41-W85 HydrophobicContact CB-CD2 4.22Å; K41-W85 HydrophobicContact CB-CH2 3.93Å; K41-W85 HydrophobicContact CB-CZ2 3.45Å; K41-W85 VanDerWaalsContact CB-CZ2 3.45Å; K41-W85 HydrophobicContact CB-CZ3 4.46Å; K41-W85 HydrophobicContact CD-CZ2 4.37Å; K41-W85 HydrophobicContact CG-CD2 3.94Å; K41-W85 HydrophobicContact CG-CG 4.25Å; K41-W85 HydrophobicContact CG-CZ2 3.93Å
42H98.4Very high91.1Very high137 Ų13752.6 Ų52.663%0.63429%0.285SS*.Hα-helixtrans-63.9-38.5-178.5-61.9100.6000111.6N39 I40 G46N39-H42 HydrophobicContact CB-CB 4.42Å; N39-H42 PolarHBondContact O-N 2.93Å; I40-H42 PolarHBondContact O-N 3.21Å; H42-G46 PolarHBondContact O-N 3.33Å
43I98.6Very high93.3Very high52 Ų5252.2 Ų52.227%0.26728%0.276SS..Hα-helixtrans-64.6-50.8177.8-64.6167.9000110.4T37 P38 N39 I40 K41 G46 R47 L156T37-I43 HydrophobicContact CG2-CD1 4.01Å; P38-I43 WeakPolarHBondContact O-CD1 3.29Å; N39-I43 WeakPolarHBondContact O-CG1 3.4Å; N39-I43 PolarHBondContact O-N 3.04Å; I40-I43 PolarHBondContact O-N 2.72Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-I43 PolarHBondContact O-N 3.49Å; I43-G46 PolarHBondContact O-N 3.13Å; I43-R47 HydrophobicContact CG2-CG 4.46Å; I43-R47 WeakPolarHBondContact O-CB 3.34Å; I43-R47 VanDerWaalsContact O-CG 3.25Å; I43-R47 WeakPolarHBondContact O-CG 3.39Å; I43-R47 PolarHBondContact O-N 2.89Å; I43-L156 HydrophobicContact CG2-CD1 4.06Å; I43-L156 HydrophobicContact CG2-CD2 4Å
44V98.4Very high94.5Very high2 Ų255 Ų551%0.01229%0.288CS..Hα-helixtrans-65.7-46.4-177171.90000111.2I40 K41 R47 C48 W85 L152 F153 L156I40-V44 HydrophobicContact CG1-CG2 4.04Å; I40-V44 WeakPolarHBondContact O-CB 3.45Å; I40-V44 WeakPolarHBondContact O-CG2 3.21Å; I40-V44 PolarHBondContact O-N 2.88Å; K41-V44 PolarHBondContact O-N 3.23Å; V44-R47 PolarHBondContact O-N 3.45Å; V44-C48 WeakPolarHBondContact O-CB 3.37Å; V44-C48 PolarHBondContact O-N 3.13Å; V44-W85 HydrophobicContact CB-CE3 3.76Å; V44-W85 HydrophobicContact CB-CZ3 3.86Å; V44-W85 HydrophobicContact CG1-CE3 3.78Å; V44-W85 HydrophobicContact CG1-CZ3 4.22Å; V44-W85 HydrophobicContact CG2-CE3 4.3Å; V44-W85 HydrophobicContact CG2-CZ3 3.91Å; V44-L152 HydrophobicContact CG1-CB 4.28Å; V44-L152 HydrophobicContact CG1-CD2 3.95Å; V44-L152 HydrophobicContact CG1-CG 4.05Å; V44-F153 HydrophobicContact CG1-CE1 4.03Å; V44-F153 HydrophobicContact CG1-CZ 3.97Å; V44-F153 HydrophobicContact CG2-CD1 4.05Å; V44-F153 HydrophobicContact CG2-CE1 3.77Å; V44-L156 HydrophobicContact CG2-CD1 3.58Å
45I97.9Very high94.5Very high18 Ų1851.5 Ų51.59%0.09228%0.275CS..Hα-helixtrans-62.9-45177.2-68.7173.4000110.7K41 R47 C48 F49 E82 W85K41-I45 HydrophobicContact CD-CD1 4.33Å; K41-I45 HydrophobicContact CG-CD1 3.64Å; K41-I45 HydrophobicContact CG-CG1 4.49Å; K41-I45 WeakPolarHBondContact O-CB 3.41Å; K41-I45 WeakPolarHBondContact O-CG1 3.34Å; K41-I45 PolarHBondContact O-N 2.96Å; I45-R47 PolarHBondContact O-N 2.81Å; I45-C48 WeakPolarHBondContact O-CB 3.25Å; I45-C48 PolarHBondContact O-N 3.25Å; I45-F49 HydrophobicContact CG2-CD2 3.74Å; I45-F49 HydrophobicContact CG2-CE2 3.44Å; I45-F49 VanDerWaalsContact CG2-CE2 3.44Å; I45-F49 WeakPolarHBondContact O-CD2 3.47Å; I45-F49 PolarHBondContact O-N 3.01Å; I45-E82 WeakPolarHBondContact CD1-OE2 3.33Å; I45-W85 HydrophobicContact CD1-CB 4.18Å; I45-W85 HydrophobicContact CD1-CG 4.1Å; I45-W85 HydrophobicContact CG1-CB 3.99Å; I45-W85 HydrophobicContact CG1-CG 4.23Å
46G97.7Very high93.8Very high33 Ų3353.2 Ų53.234%0.3428%0.281SS..Hα-helixtrans-61.1-42.2177.200000112.9H42 I43 F49 T50H42-G46 PolarHBondContact O-N 3.33Å; I43-G46 PolarHBondContact O-N 3.13Å; G46-F49 PolarHBondContact O-N 3.38Å; G46-T50 WeakPolarHBondContact O-CB 3.39Å; G46-T50 PolarHBondContact O-N 3.01Å; G46-T50 PolarHBondContact O-OG1 2.94Å
47R97.7Very high92.1Very high67 Ų6756.6 Ų56.625%0.25330%0.303SS..Hα-helixtrans-63.6-40.2173.5-76.1172.7172.7-165.8-0.7111.7I43 V44 I45 T50 Y51 F151 L152 N154I43-R47 HydrophobicContact CG2-CG 4.46Å; I43-R47 WeakPolarHBondContact O-CB 3.34Å; I43-R47 VanDerWaalsContact O-CG 3.25Å; I43-R47 WeakPolarHBondContact O-CG 3.39Å; I43-R47 PolarHBondContact O-N 2.89Å; V44-R47 PolarHBondContact O-N 3.45Å; I45-R47 PolarHBondContact O-N 2.81Å; R47-T50 WeakPolarHBondContact O-CB 3.27Å; R47-T50 PolarHBondContact O-N 3.36Å; R47-Y51 VanDerWaalsContact O-CB 3.3Å; R47-Y51 WeakPolarHBondContact O-CB 3.35Å; R47-Y51 PolarHBondContact O-N 3.44Å; R47-F151 HydrophobicContact CB-CD1 3.97Å; R47-F151 HydrophobicContact CB-CE1 3.84Å; R47-F151 WeakPolarHBondContact CD-O 3.34Å; R47-F151 HydrophobicContact CG-CD1 4.46Å; R47-F151 HydrophobicContact CG-CE1 4.11Å; R47-F151 PolarHBondContact NH1-O 3.14Å; R47-F151 WeakPolarHBondContact O-CE1 3.45Å; R47-L152 WeakPolarHBondContact CD-O 3.31Å; R47-L152 PolarHBondContact NH1-O 3.07Å; R47-N154 PolarHBondContact NH1-O 2.72Å; R47-N154 PolarHBondContact NH2-O 2.73Å
48C96Very high90.5Very high1 Ų158.3 Ų58.31%0.00733%0.328CS..Hα-helixtrans-61.1-47.9176.1-176.90000112.7V44 I45 T50 Y51 T52 C81 L152V44-C48 WeakPolarHBondContact O-CB 3.37Å; V44-C48 PolarHBondContact O-N 3.13Å; I45-C48 WeakPolarHBondContact O-CB 3.25Å; I45-C48 PolarHBondContact O-N 3.25Å; C48-T50 VanDerWaalsContact C-N 3.35Å; C48-T50 PolarHBondContact O-N 3.22Å; C48-Y51 PolarHBondContact O-N 2.81Å; C48-T52 WeakPolarHBondContact O-CB 3.08Å; C48-T52 VanDerWaalsContact O-CG2 3.28Å; C48-T52 WeakPolarHBondContact O-CG2 3.28Å; C48-T52 PolarHBondContact O-N 3.26Å; C48-T52 PolarHBondContact O-OG1 3Å; C48-C81 VanDerWaalsContact C-SG 3.56Å; C48-C81 HydrophobicContact CB-CB 3.69Å; C48-C81 WeakPolarHBondContact CB-SG 3.42Å; C48-C81 WeakPolarHBondContact SG-CA 3.35Å; C48-C81 WeakPolarHBondContact SG-CB 3.33Å; C48-C81 CovalentContact SG-SG 2.04Å; C48-C81 PolarHBondContact SG-SG 3.45Å; C48-L152 HydrophobicContact CB-CD1 3.94Å; C48-L152 HydrophobicContact CB-CD2 4.16Å; C48-L152 HydrophobicContact CB-CG 4.18Å
49F93.3Very high88.8Confident103 Ų10355.1 Ų55.145%0.45231%0.306SS..Hα-helixtrans-64.4-40.2175.8-73.2-57.7000112.6I45 G46 Y51 T52 T53 C81I45-F49 HydrophobicContact CG2-CD2 3.74Å; I45-F49 HydrophobicContact CG2-CE2 3.44Å; I45-F49 VanDerWaalsContact CG2-CE2 3.44Å; I45-F49 WeakPolarHBondContact O-CD2 3.47Å; I45-F49 PolarHBondContact O-N 3.01Å; G46-F49 PolarHBondContact O-N 3.38Å; F49-Y51 PolarHBondContact O-N 2.78Å; F49-T52 PolarHBondContact O-OG1 3.19Å; F49-T53 WeakPolarHBondContact O-CB 3.47Å; F49-T53 PolarHBondContact O-N 3.4Å; F49-T53 PolarHBondContact O-OG1 3.1Å; F49-C81 HydrophobicContact CE1-CB 4.17Å; F49-C81 HydrophobicContact CE2-CB 4.26Å; F49-C81 HydrophobicContact CZ-CB 4.01Å
50T94.1Very high86.8Confident58 Ų5855.7 Ų55.736%0.35630%0.3SS..Hα-helixtrans-58.4-49.2175.2-61.10000110.9G46 R47 C48 L54 I55 F151G46-T50 WeakPolarHBondContact O-CB 3.39Å; G46-T50 PolarHBondContact O-N 3.01Å; G46-T50 PolarHBondContact O-OG1 2.94Å; R47-T50 WeakPolarHBondContact O-CB 3.27Å; R47-T50 PolarHBondContact O-N 3.36Å; C48-T50 VanDerWaalsContact C-N 3.35Å; C48-T50 PolarHBondContact O-N 3.22Å; T50-L54 HydrophobicContact CG2-CD1 4.38Å; T50-L54 WeakPolarHBondContact O-CA 3.35Å; T50-L54 WeakPolarHBondContact O-CB 3.37Å; T50-L54 PolarHBondContact O-N 3.42Å; T50-I55 PolarHBondContact O-N 3.5Å; T50-F151 HydrophobicContact CG2-CE1 4.35Å; T50-F151 HydrophobicContact CG2-CZ 4.19Å
51Y91.8Very high84.7Confident1 Ų160 Ų600%0.00432%0.319CS..Iπ-helixtrans-62.4-50.5-177.7-171-87.2000112.1R47 C48 F49 T53 I55 Q56 L59 Q114 W116 D146 L148 F151R47-Y51 VanDerWaalsContact O-CB 3.3Å; R47-Y51 WeakPolarHBondContact O-CB 3.35Å; R47-Y51 PolarHBondContact O-N 3.44Å; C48-Y51 PolarHBondContact O-N 2.81Å; F49-Y51 PolarHBondContact O-N 2.78Å; Y51-T53 VanDerWaalsContact C-N 3.32Å; Y51-T53 PolarHBondContact O-N 3.36Å; Y51-I55 HydrophobicContact CD2-CB 4.17Å; Y51-I55 HydrophobicContact CD2-CG2 4.23Å; Y51-I55 HydrophobicContact CE2-CG2 4.18Å; Y51-I55 PolarHBondContact O-N 3.34Å; Y51-Q56 HydrophobicContact CE1-CB 4.01Å; Y51-Q56 HydrophobicContact CE1-CG 3.95Å; Y51-Q56 PolarHBondContact O-N 3.08Å; Y51-L59 HydrophobicContact CE1-CD1 4.23Å; Y51-Q114 PolarHBondContact OH-NE2 3.27Å; Y51-W116 WeakPolarHBondContact OH-CH2 3.39Å; Y51-W116 WeakPolarHBondContact OH-CZ2 3.46Å; Y51-D146 VanDerWaalsContact CE2-O 3.23Å; Y51-D146 WeakPolarHBondContact CE2-O 3.3Å; Y51-D146 PolarHBondContact OH-O 3.37Å; Y51-L148 HydrophobicContact CD1-CB 4.17Å; Y51-L148 HydrophobicContact CD1-CD1 3.35Å; Y51-L148 HydrophobicContact CD1-CG 4.33Å; Y51-L148 HydrophobicContact CE1-CB 3.83Å; Y51-L148 HydrophobicContact CE1-CD1 3.93Å; Y51-L148 HydrophobicContact CE1-CG 4.47Å; Y51-L148 HydrophobicContact CG-CD1 3.75Å; Y51-L148 PolarHBondContact OH-N 2.96Å; Y51-F151 HydrophobicContact CD2-CB 3.63Å; Y51-F151 AromaticContact CD2-CD1 3.7Å; Y51-F151 HydrophobicContact CD2-CD1 3.7Å; Y51-F151 HydrophobicContact CD2-CD2 4.09Å; Y51-F151 HydrophobicContact CD2-CE1 4.37Å; Y51-F151 AromaticContact CD2-CG 3.54Å; Y51-F151 HydrophobicContact CD2-CG 3.54Å; Y51-F151 HydrophobicContact CE2-CB 3.92Å; Y51-F151 HydrophobicContact CE2-CG 4.2Å; Y51-F151 HydrophobicContact CG-CD1 4.22Å; Y51-F151 HydrophobicContact CG-CG 4.46Å
52T87.8Confident82.5Confident16 Ų1660 Ų6010%0.09833%0.327CS..Iπ-helixtrans-72.4-25.7-174.855.70000113.3C48 F49 Y79 L148C48-T52 WeakPolarHBondContact O-CB 3.08Å; C48-T52 VanDerWaalsContact O-CG2 3.28Å; C48-T52 WeakPolarHBondContact O-CG2 3.28Å; C48-T52 PolarHBondContact O-N 3.26Å; C48-T52 PolarHBondContact O-OG1 3Å; F49-T52 PolarHBondContact O-OG1 3.19Å; T52-Y79 HydrophobicContact CG2-CD2 3.67Å; T52-Y79 HydrophobicContact CG2-CG 4.31Å; T52-L148 HydrophobicContact CG2-CD1 4.3Å
53T85.6Confident79.9Confident58 Ų5861.2 Ų61.236%0.35634%0.337SS..Iπ-helixtrans-96.1-41-178-520000112.6F49 Y51F49-T53 WeakPolarHBondContact O-CB 3.47Å; F49-T53 PolarHBondContact O-N 3.4Å; F49-T53 PolarHBondContact O-OG1 3.1Å; Y51-T53 VanDerWaalsContact C-N 3.32Å; Y51-T53 PolarHBondContact O-N 3.36Å
54L86Confident77.2Confident126 Ų12663.8 Ų63.866%0.6636%0.355SS*.Iπ-helixtrans-111-37.6-167.9-55-179.1000113.6T50T50-L54 HydrophobicContact CG2-CD1 4.38Å; T50-L54 WeakPolarHBondContact O-CA 3.35Å; T50-L54 WeakPolarHBondContact O-CB 3.37Å; T50-L54 PolarHBondContact O-N 3.42Å
55I83.8Confident74.6Confident82 Ų8271.7 Ų71.742%0.42140%0.397SS..Iπ-helixtrans-87.5-47.4-172.5-53.4-58.3000111.3T50 Y51 P57T50-I55 PolarHBondContact O-N 3.5Å; Y51-I55 HydrophobicContact CD2-CB 4.17Å; Y51-I55 HydrophobicContact CD2-CG2 4.23Å; Y51-I55 HydrophobicContact CE2-CG2 4.18Å; Y51-I55 PolarHBondContact O-N 3.34Å; I55-P57 VanDerWaalsContact C-CD 3.48Å; I55-P57 WeakPolarHBondContact O-CD 3.15Å
56Q76.8Confident72Confident45 Ų4577.2 Ų77.221%0.2143%0.426CS..  trans-127.266.3179.5-69.1-63.6-2400111.1Y51 G58 L59 W116Y51-Q56 HydrophobicContact CE1-CB 4.01Å; Y51-Q56 HydrophobicContact CE1-CG 3.95Å; Y51-Q56 PolarHBondContact O-N 3.08Å; Q56-G58 PolarHBondContact O-N 3.15Å; Q56-G58 VanDerWaalsContact O-N 3.16Å; Q56-L59 HydrophobicContact CB-CB 4.45Å; Q56-L59 HydrophobicContact CB-CD1 3.59Å; Q56-L59 HydrophobicContact CB-CG 3.94Å; Q56-L59 HydrophobicContact CG-CD1 4.17Å; Q56-L59 WeakPolarHBondContact O-CB 3.34Å; Q56-L59 PolarHBondContact O-N 3.22Å; Q56-W116 HydrophobicContact CG-CH2 4.29Å
57P62.1Low69.2Low72 Ų7284.5 Ų84.547%0.46845%0.449SS..G310 helixtrans-64.3-22.3-177.628-35.7000112.7I55 L59 R60I55-P57 VanDerWaalsContact C-CD 3.48Å; I55-P57 WeakPolarHBondContact O-CD 3.15Å; P57-L59 PolarHBondContact O-N 2.94Å; P57-R60 WeakPolarHBondContact O-CB 3.22Å; P57-R60 PolarHBondContact O-N 3.45Å
58G63Low66.8Low69 Ų6987.4 Ų87.471%0.71148%0.476SS*.G310 helixtrans-64.6-16.8172.600000113.8Q56Q56-G58 PolarHBondContact O-N 3.15Å; Q56-G58 VanDerWaalsContact O-N 3.16Å
59L61Low64.5Low22 Ų2292.4 Ų92.412%0.11551%0.511CS..G310 helixtrans-88.5-3.4172-58.8175.3000112.5Y51 Q56 P57 H61 R78 Y79Y51-L59 HydrophobicContact CE1-CD1 4.23Å; Q56-L59 HydrophobicContact CB-CB 4.45Å; Q56-L59 HydrophobicContact CB-CD1 3.59Å; Q56-L59 HydrophobicContact CB-CG 3.94Å; Q56-L59 HydrophobicContact CG-CD1 4.17Å; Q56-L59 WeakPolarHBondContact O-CB 3.34Å; Q56-L59 PolarHBondContact O-N 3.22Å; P57-L59 PolarHBondContact O-N 2.94Å; L59-H61 PolarHBondContact O-N 3.18Å; L59-H61 VanDerWaalsContact O-N 3.12Å; L59-R78 WeakPolarHBondContact O-CB 3.36Å; L59-R78 WeakPolarHBondContact O-CD 3.42Å; L59-Y79 HydrophobicContact CB-CE2 3.84Å; L59-Y79 HydrophobicContact CD1-CE2 4.02Å; L59-Y79 HydrophobicContact CG-CE2 4.46Å
60R55.5Low62.3Low118 Ų11893.3 Ų93.345%0.44553%0.525SS..SBendtrans-64.9-20.2-173.8-166-178.2-178.8-176.5-1.7113.2P57 F75P57-R60 WeakPolarHBondContact O-CB 3.22Å; P57-R60 PolarHBondContact O-N 3.45Å; R60-F75 HydrophobicContact CG-CE1 4.04Å; R60-F75 HydrophobicContact CG-CZ 3.75Å
61H54.3Low60Low92 Ų9296.9 Ų96.943%0.42655%0.547SS..  trans-137.9142.2-173.5-62-103.9000113.4L59 F75L59-H61 PolarHBondContact O-N 3.18Å; L59-H61 VanDerWaalsContact O-N 3.12Å; H61-F75 AromaticContact CD2-CZ 3.79Å; H61-F75 AromaticContact CE1-CD2 3.21Å; H61-F75 WeakPolarHBondContact CE1-CD2 3.41Å; H61-F75 AromaticContact CE1-CE1 3.8Å; H61-F75 AromaticContact CE1-CE2 2.68Å; H61-F75 WeakPolarHBondContact CE1-CE2 3.45Å; H61-F75 AromaticContact CE1-CZ 2.96Å; H61-F75 WeakPolarHBondContact CE1-CZ 3.41Å; H61-F75 AromaticContact CG-CZ 3.99Å; H61-F75 AromaticContact ND1-CD2 3.72Å; H61-F75 AromaticContact ND1-CE1 3.81Å; H61-F75 AromaticContact ND1-CE2 3.46Å; H61-F75 WeakPolarHBondContact ND1-CE2 3.48Å; H61-F75 AromaticContact ND1-CZ 3.44Å; H61-F75 WeakPolarHBondContact ND1-CZ 3.23Å; H61-F75 AromaticContact NE2-CE2 3.14Å; H61-F75 WeakPolarHBondContact NE2-CE2 3.27Å; H61-F75 AromaticContact NE2-CZ 3.1Å; H61-F75 WeakPolarHBondContact NE2-CZ 3.47Å
62V52.5Low57.9Low89 Ų89104.5 Ų104.554%0.53958%0.582SS.*  trans-105.2119.4156.2-179.70000106.1T64 R78V62-T64 VanDerWaalsContact C-N 3.29Å; V62-T64 HydrophobicContact CG1-CG2 4.48Å; V62-T64 PolarHBondContact O-N 3.37Å; V62-R78 HydrophobicContact CG2-CB 4.35Å; V62-R78 HydrophobicContact CG2-CG 3.94Å
63L44.2Very low55.8Low161 Ų161110.7 Ų110.784%0.84362%0.62SS**  trans-70.694.5163.7-71.8172.7000106.5L65L63-L65 PolarHBondContact O-N 3.49Å
64T42.5Very low54.2Low107 Ų107116.1 Ų116.166%0.65664%0.641SS**  trans-65.2103.5161.844.70000106.5V62 D66V62-T64 VanDerWaalsContact C-N 3.29Å; V62-T64 HydrophobicContact CG1-CG2 4.48Å; V62-T64 PolarHBondContact O-N 3.37Å; T64-D66 PolarHBondContact O-N 3.13Å
65L44.1Very low52.7Low168 Ų168114.9 Ų114.988%0.8863%0.631SS**  trans-71.250.5164.4-76.3168.5000109.6L63L63-L65 PolarHBondContact O-N 3.49Å
66D41.7Very low51.5Low133 Ų133119.3 Ų119.371%0.71165%0.647SS**  trans-109.297.6173.2-79.7-33.8000108.6T64T64-D66 PolarHBondContact O-N 3.13Å
67K39.2Very low51Low186 Ų186120.9 Ų120.981%0.80966%0.661SS**  trans76.8124.7158.8-58.2-175.5-179.6175.70117.6S69K67-S69 PolarHBondContact O-N 3.05Å
68P46.8Very low51.6Low129 Ų129121.5 Ų121.584%0.83865%0.654SS**SBendtrans-83.778.7172.634.3-30000109.1
69S49.3Very low52.7Low106 Ų106118.6 Ų118.674%0.74162%0.622SS**  trans-167.6127.5164.1-78.10000112.1K67K67-S69 PolarHBondContact O-N 3.05Å
70V46.1Very low54.2Low122 Ų122121.9 Ų121.974%0.73964%0.639SS**  trans92.887.7158.3-159.90000118.6H72V70-H72 VanDerWaalsContact C-N 3.32Å; V70-H72 PolarHBondContact O-N 3.37Å
71T46.1Very low56.1Low132 Ų132116.5 Ų116.581%0.8162%0.62SS**SBend35.713.2127.251.60000124.5
72H47.2Very low58.1Low161 Ų161116.6 Ų116.675%0.74562%0.621SS**  trans-138.594.6160.6-90.6-90.4000109.9V70 H74V70-H72 VanDerWaalsContact C-N 3.32Å; V70-H72 PolarHBondContact O-N 3.37Å; H72-H74 VanDerWaalsContact C-N 3.26Å; H72-H74 PolarHBondContact O-N 2.89Å
73T45Very low60.2Low147 Ų147114.8 Ų114.890%0.90261%0.606SS**  trans-7284.8170.250.70000108.9F75T73-F75 PolarHBondContact O-N 3.17Å
74H51.6Low62.8Low171 Ų171107.2 Ų107.279%0.79257%0.567SS**  trans-65.9100.8163.1-95.2-82000107.9H72 K76H72-H74 VanDerWaalsContact C-N 3.26Å; H72-H74 PolarHBondContact O-N 2.89Å; H74-K76 PolarHBondContact O-N 3.42Å
75F54.9Low65.4Low101 Ų101102.3 Ų102.344%0.44354%0.536SS..  trans-64.9100.3169.9-172-59000107.9R60 H61 T73R60-F75 HydrophobicContact CG-CE1 4.04Å; R60-F75 HydrophobicContact CG-CZ 3.75Å; H61-F75 AromaticContact CD2-CZ 3.79Å; H61-F75 AromaticContact CE1-CD2 3.21Å; H61-F75 WeakPolarHBondContact CE1-CD2 3.41Å; H61-F75 AromaticContact CE1-CE1 3.8Å; H61-F75 AromaticContact CE1-CE2 2.68Å; H61-F75 WeakPolarHBondContact CE1-CE2 3.45Å; H61-F75 AromaticContact CE1-CZ 2.96Å; H61-F75 WeakPolarHBondContact CE1-CZ 3.41Å; H61-F75 AromaticContact CG-CZ 3.99Å; H61-F75 AromaticContact ND1-CD2 3.72Å; H61-F75 AromaticContact ND1-CE1 3.81Å; H61-F75 AromaticContact ND1-CE2 3.46Å; H61-F75 WeakPolarHBondContact ND1-CE2 3.48Å; H61-F75 AromaticContact ND1-CZ 3.44Å; H61-F75 WeakPolarHBondContact ND1-CZ 3.23Å; H61-F75 AromaticContact NE2-CE2 3.14Å; H61-F75 WeakPolarHBondContact NE2-CE2 3.27Å; H61-F75 AromaticContact NE2-CZ 3.1Å; H61-F75 WeakPolarHBondContact NE2-CZ 3.47Å; T73-F75 PolarHBondContact O-N 3.17Å
76K58.6Low68Low174 Ų17499.5 Ų99.576%0.75751%0.514SS*.  trans-87.8120.7170.5-167.7177.8179.7-177.70108.7H74 R78H74-K76 PolarHBondContact O-N 3.42Å; K76-R78 PolarHBondContact O-N 3.46Å
77P65.6Low70.7Confident79 Ų7994 Ų9451%0.51348%0.484SS..  trans-56.3139.3171.1-20.131.3000109.9Y79P77-Y79 PolarHBondContact O-N 3.42Å
78R74.2Confident73.5Confident84 Ų8485.1 Ų85.132%0.31745%0.445SS..SBendtrans-60.2-32.9176.1-177.4175.4175162.3-8.6112.6L59 V62 K76 P113L59-R78 WeakPolarHBondContact O-CB 3.36Å; L59-R78 WeakPolarHBondContact O-CD 3.42Å; V62-R78 HydrophobicContact CG2-CB 4.35Å; V62-R78 HydrophobicContact CG2-CG 3.94Å; K76-R78 PolarHBondContact O-N 3.46Å; R78-P113 PolarHBondContact NH2-O 3.03Å; R78-P113 VanDerWaalsContact NH2-O 3.13Å
79Y87.6Confident75.9Confident8 Ų882 Ų823%0.03142%0.42CS..SBendtrans-121.8127.9179.8-56.3-67000109.3T52 L59 P77 M111 P113 L148T52-Y79 HydrophobicContact CG2-CD2 3.67Å; T52-Y79 HydrophobicContact CG2-CG 4.31Å; L59-Y79 HydrophobicContact CB-CE2 3.84Å; L59-Y79 HydrophobicContact CD1-CE2 4.02Å; L59-Y79 HydrophobicContact CG-CE2 4.46Å; P77-Y79 PolarHBondContact O-N 3.42Å; Y79-M111 VanDerWaalsContact CD1-O 3.28Å; Y79-M111 WeakPolarHBondContact CD1-O 3.47Å; Y79-P113 PolarHBondContact OH-O 3.4Å; Y79-L148 HydrophobicContact CD1-CD2 3.74Å; Y79-L148 HydrophobicContact CD2-CD2 4.05Å; Y79-L148 HydrophobicContact CE1-CD2 3.92Å; Y79-L148 HydrophobicContact CE2-CD2 4.15Å; Y79-L148 HydrophobicContact CG-CD2 3.81Å
80D92.1Very high78.2Confident92 Ų9281.4 Ų81.449%0.49240%0.403SS..  trans-94.7100173.7-172.5-27.7000108.4E82 E83 I84D80-E82 VanDerWaalsContact C-N 3.29Å; D80-E82 PolarHBondContact O-N 2.89Å; D80-E82 PolarHBondContact OD1-N 3.4Å; D80-E83 HydrophobicContact CB-CB 3.89Å; D80-E83 PolarHBondContact O-N 3.23Å; D80-E83 PolarHBondContact OD1-N 3.28Å; D80-E83 VanDerWaalsContact OD1-N 3.14Å; D80-I84 WeakPolarHBondContact O-CB 3.24Å; D80-I84 VanDerWaalsContact O-CG1 3.27Å; D80-I84 WeakPolarHBondContact O-CG1 3.44Å; D80-I84 PolarHBondContact O-N 3.1Å
81C95Very high80.6Confident5 Ų575.8 Ų75.83%0.03437%0.37CS..Hα-helixtrans-64-32.3-173.8-66.40000113.2C48 F49 W85C48-C81 VanDerWaalsContact C-SG 3.56Å; C48-C81 HydrophobicContact CB-CB 3.69Å; C48-C81 WeakPolarHBondContact CB-SG 3.42Å; C48-C81 WeakPolarHBondContact SG-CA 3.35Å; C48-C81 WeakPolarHBondContact SG-CB 3.33Å; C48-C81 CovalentContact SG-SG 2.04Å; C48-C81 PolarHBondContact SG-SG 3.45Å; F49-C81 HydrophobicContact CE1-CB 4.17Å; F49-C81 HydrophobicContact CE2-CB 4.26Å; F49-C81 HydrophobicContact CZ-CB 4.01Å; C81-W85 WeakPolarHBondContact O-CB 3.48Å; C81-W85 PolarHBondContact O-N 3.37Å
82E96.5Very high83Confident94 Ų9469.5 Ų69.544%0.43933%0.331SS..Hα-helixtrans-72.6-41.8177.5-70-68.7172.100110.5I45 D80 W85 R86I45-E82 WeakPolarHBondContact CD1-OE2 3.33Å; D80-E82 VanDerWaalsContact C-N 3.29Å; D80-E82 PolarHBondContact O-N 2.89Å; D80-E82 PolarHBondContact OD1-N 3.4Å; E82-W85 PolarHBondContact O-N 3.01Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.3Å
83E96.6Very high85.3Confident51 Ų5162.6 Ų62.624%0.23830%0.3CS..Hα-helixtrans-68.6-39.9177.1-177.658.9-161.300111.9D80 W85 R86 Q87 M111D80-E83 HydrophobicContact CB-CB 3.89Å; D80-E83 PolarHBondContact O-N 3.23Å; D80-E83 PolarHBondContact OD1-N 3.28Å; D80-E83 VanDerWaalsContact OD1-N 3.14Å; E83-W85 VanDerWaalsContact C-N 3.33Å; E83-W85 PolarHBondContact O-N 3.26Å; E83-R86 PolarHBondContact O-N 3.1Å; E83-R86 IonicContact OE1-CZ 3.41Å; E83-R86 IonicContact OE1-NE 2.7Å; E83-R86 PolarHBondContact OE1-NE 2.87Å; E83-R86 IonicContact OE1-NH2 2.64Å; E83-R86 PolarHBondContact OE1-NH2 2.76Å; E83-R86 IonicContact OE2-CZ 3.49Å; E83-R86 IonicContact OE2-NE 3.44Å; E83-R86 PolarHBondContact OE2-NE 3.25Å; E83-R86 IonicContact OE2-NH2 3.37Å; E83-R86 PolarHBondContact OE2-NH2 2.93Å; E83-Q87 WeakPolarHBondContact O-CG 3.47Å; E83-Q87 PolarHBondContact O-N 3.05Å; E83-Q87 PolarHBondContact OE1-NE2 3.27Å; E83-M111 HydrophobicContact CG-CE 3.8Å; E83-M111 HydrophobicContact CG-SD 3.6Å
84I97.4Very high87.5Confident2 Ų260.9 Ų60.91%0.0128%0.282CS..Hα-helixtrans-57.7-47.5172.2-71.4163.9000110.2D80 R86 Q87 F88 M108 M111 M112 L148 L152D80-I84 WeakPolarHBondContact O-CB 3.24Å; D80-I84 VanDerWaalsContact O-CG1 3.27Å; D80-I84 WeakPolarHBondContact O-CG1 3.44Å; D80-I84 PolarHBondContact O-N 3.1Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.11Å; I84-Q87 PolarHBondContact O-N 3.48Å; I84-F88 WeakPolarHBondContact O-CB 3.35Å; I84-F88 PolarHBondContact O-N 2.96Å; I84-M108 HydrophobicContact CG2-CG 4.08Å; I84-M111 HydrophobicContact CG1-CB 4.14Å; I84-M112 HydrophobicContact CD1-CG 3.71Å; I84-M112 HydrophobicContact CD1-SD 4.19Å; I84-M112 HydrophobicContact CG1-CG 4.04Å; I84-M112 HydrophobicContact CG1-SD 4.44Å; I84-M112 HydrophobicContact CG2-CG 4.43Å; I84-M112 HydrophobicContact CG2-SD 3.77Å; I84-L148 HydrophobicContact CD1-CD2 4.46Å; I84-L152 HydrophobicContact CG2-CD2 4.09Å
85W98.1Very high89.3Confident4 Ų454.9 Ų54.92%0.01526%0.255CS..Hα-helixtrans-59.2-45.8175.3172.7-96.2000111.5I40 K41 V44 I45 C81 E82 E83 Q87 F88 E89 F167I40-W85 HydrophobicContact CB-CH2 4.33Å; I40-W85 HydrophobicContact CG1-CH2 3.97Å; I40-W85 HydrophobicContact CG1-CZ3 4.01Å; I40-W85 HydrophobicContact CG2-CH2 3.8Å; K41-W85 HydrophobicContact CB-CD2 4.22Å; K41-W85 HydrophobicContact CB-CH2 3.93Å; K41-W85 HydrophobicContact CB-CZ2 3.45Å; K41-W85 VanDerWaalsContact CB-CZ2 3.45Å; K41-W85 HydrophobicContact CB-CZ3 4.46Å; K41-W85 HydrophobicContact CD-CZ2 4.37Å; K41-W85 HydrophobicContact CG-CD2 3.94Å; K41-W85 HydrophobicContact CG-CG 4.25Å; K41-W85 HydrophobicContact CG-CZ2 3.93Å; V44-W85 HydrophobicContact CB-CE3 3.76Å; V44-W85 HydrophobicContact CB-CZ3 3.86Å; V44-W85 HydrophobicContact CG1-CE3 3.78Å; V44-W85 HydrophobicContact CG1-CZ3 4.22Å; V44-W85 HydrophobicContact CG2-CE3 4.3Å; V44-W85 HydrophobicContact CG2-CZ3 3.91Å; I45-W85 HydrophobicContact CD1-CB 4.18Å; I45-W85 HydrophobicContact CD1-CG 4.1Å; I45-W85 HydrophobicContact CG1-CB 3.99Å; I45-W85 HydrophobicContact CG1-CG 4.23Å; C81-W85 WeakPolarHBondContact O-CB 3.48Å; C81-W85 PolarHBondContact O-N 3.37Å; E82-W85 PolarHBondContact O-N 3.01Å; E83-W85 VanDerWaalsContact C-N 3.33Å; E83-W85 PolarHBondContact O-N 3.26Å; W85-Q87 VanDerWaalsContact C-N 3.31Å; W85-Q87 PolarHBondContact O-N 3.17Å; W85-F88 HydrophobicContact CD2-CD1 4.46Å; W85-F88 AromaticContact CE3-CD1 3.75Å; W85-F88 HydrophobicContact CE3-CD1 3.75Å; W85-F88 HydrophobicContact CE3-CE1 4.31Å; W85-F88 AromaticContact CH2-CD1 3.84Å; W85-F88 HydrophobicContact CH2-CD1 3.84Å; W85-F88 AromaticContact CH2-CE1 3.72Å; W85-F88 HydrophobicContact CH2-CE1 3.72Å; W85-F88 AromaticContact CZ3-CD1 3.4Å; W85-F88 HydrophobicContact CZ3-CD1 3.4Å; W85-F88 VanDerWaalsContact CZ3-CD1 3.4Å; W85-F88 AromaticContact CZ3-CE1 3.49Å; W85-F88 HydrophobicContact CZ3-CE1 3.49Å; W85-F88 VanDerWaalsContact CZ3-CE1 3.49Å; W85-F88 WeakPolarHBondContact O-CB 3.42Å; W85-F88 PolarHBondContact O-N 3.49Å; W85-E89 HydrophobicContact CZ2-CB 4.33Å; W85-E89 PolarHBondContact NE1-OE1 3.01Å; W85-E89 WeakPolarHBondContact O-CB 3.37Å; W85-E89 PolarHBondContact O-N 3.08Å; W85-F167 HydrophobicContact CH2-CE2 4.03Å; W85-F167 AromaticContact CH2-CZ 3.79Å; W85-F167 HydrophobicContact CH2-CZ 3.79Å; W85-F167 AromaticContact CZ2-CE2 3.79Å; W85-F167 HydrophobicContact CZ2-CE2 3.79Å; W85-F167 AromaticContact CZ2-CZ 3.92Å; W85-F167 HydrophobicContact CZ2-CZ 3.92Å
86R98.1Very high90.8Very high108 Ų10852.1 Ų52.141%0.40825%0.25SS..Hα-helixtrans-60.2-40.9-178.9-166.2-172.769.573.7-3.3112.2E82 E83 I84 K90E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.3Å; E83-R86 PolarHBondContact O-N 3.1Å; E83-R86 IonicContact OE1-CZ 3.41Å; E83-R86 IonicContact OE1-NE 2.7Å; E83-R86 PolarHBondContact OE1-NE 2.87Å; E83-R86 IonicContact OE1-NH2 2.64Å; E83-R86 PolarHBondContact OE1-NH2 2.76Å; E83-R86 IonicContact OE2-CZ 3.49Å; E83-R86 IonicContact OE2-NE 3.44Å; E83-R86 PolarHBondContact OE2-NE 3.25Å; E83-R86 IonicContact OE2-NH2 3.37Å; E83-R86 PolarHBondContact OE2-NH2 2.93Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.11Å; R86-K90 VanDerWaalsContact O-CB 3.29Å; R86-K90 WeakPolarHBondContact O-CB 3.38Å; R86-K90 PolarHBondContact O-N 3.34Å
87Q98.2Very high92.2Very high18 Ų1844.5 Ų44.58%0.08422%0.219CC..Hα-helixtrans-70.5-39.1176.7-63.7-64.9-13.700112.1E83 I84 W85 A91 E107 M108 M111E83-Q87 WeakPolarHBondContact O-CG 3.47Å; E83-Q87 PolarHBondContact O-N 3.05Å; E83-Q87 PolarHBondContact OE1-NE2 3.27Å; I84-Q87 PolarHBondContact O-N 3.48Å; W85-Q87 VanDerWaalsContact C-N 3.31Å; W85-Q87 PolarHBondContact O-N 3.17Å; Q87-A91 PolarHBondContact O-N 2.84Å; Q87-A91 VanDerWaalsContact O-N 3.1Å; Q87-E107 HydrophobicContact CG-CB 4.25Å; Q87-M108 HydrophobicContact CB-CB 3.91Å; Q87-M111 HydrophobicContact CG-CE 3.62Å; Q87-M111 HydrophobicContact CG-SD 3.88Å
88F98.4Very high93.4Very high0 Ų043.1 Ų43.10%021%0.211CC..Hα-helixtrans-58.8-53.2172.3169.3-101.4000111.8I40 I84 W85 K90 A91 V92 Y105 M108 F153 W158 F167 L186I40-F88 HydrophobicContact CD1-CE1 4.21Å; I40-F88 HydrophobicContact CD1-CZ 4.25Å; I84-F88 WeakPolarHBondContact O-CB 3.35Å; I84-F88 PolarHBondContact O-N 2.96Å; W85-F88 HydrophobicContact CD2-CD1 4.46Å; W85-F88 AromaticContact CE3-CD1 3.75Å; W85-F88 HydrophobicContact CE3-CD1 3.75Å; W85-F88 HydrophobicContact CE3-CE1 4.31Å; W85-F88 AromaticContact CH2-CD1 3.84Å; W85-F88 HydrophobicContact CH2-CD1 3.84Å; W85-F88 AromaticContact CH2-CE1 3.72Å; W85-F88 HydrophobicContact CH2-CE1 3.72Å; W85-F88 AromaticContact CZ3-CD1 3.4Å; W85-F88 HydrophobicContact CZ3-CD1 3.4Å; W85-F88 VanDerWaalsContact CZ3-CD1 3.4Å; W85-F88 AromaticContact CZ3-CE1 3.49Å; W85-F88 HydrophobicContact CZ3-CE1 3.49Å; W85-F88 VanDerWaalsContact CZ3-CE1 3.49Å; W85-F88 WeakPolarHBondContact O-CB 3.42Å; W85-F88 PolarHBondContact O-N 3.49Å; F88-K90 VanDerWaalsContact C-N 3.32Å; F88-K90 PolarHBondContact O-N 3.08Å; F88-A91 WeakPolarHBondContact O-CB 3.23Å; F88-A91 PolarHBondContact O-N 3.49Å; F88-A91 VanDerWaalsContact O-N 3.1Å; F88-V92 HydrophobicContact CD2-CG2 4.37Å; F88-V92 HydrophobicContact CE1-CG2 4.4Å; F88-V92 HydrophobicContact CE2-CG2 3.89Å; F88-V92 HydrophobicContact CZ-CG2 3.91Å; F88-V92 WeakPolarHBondContact O-CG2 3.38Å; F88-V92 PolarHBondContact O-N 2.87Å; F88-Y105 HydrophobicContact CD2-CD1 4.45Å; F88-Y105 AromaticContact CD2-CE1 3.85Å; F88-Y105 HydrophobicContact CD2-CE1 3.85Å; F88-Y105 HydrophobicContact CE2-CE1 4.06Å; F88-M108 HydrophobicContact CB-CG 4.3Å; F88-M108 HydrophobicContact CB-SD 3.6Å; F88-M108 HydrophobicContact CD2-SD 3.89Å; F88-M108 HydrophobicContact CG-SD 4.2Å; F88-F153 HydrophobicContact CB-CZ 4.1Å; F88-F153 AromaticContact CD1-CE1 3.93Å; F88-F153 HydrophobicContact CD1-CE1 3.93Å; F88-F153 HydrophobicContact CD1-CZ 4.2Å; F88-F153 HydrophobicContact CD2-CD1 4.37Å; F88-F153 AromaticContact CD2-CE1 3.39Å; F88-F153 HydrophobicContact CD2-CE1 3.39Å; F88-F153 HydrophobicContact CD2-CE2 4.32Å; F88-F153 AromaticContact CD2-CZ 3.36Å; F88-F153 HydrophobicContact CD2-CZ 3.36Å; F88-F153 AromaticContact CE1-CE1 3.83Å; F88-F153 HydrophobicContact CE1-CE1 3.83Å; F88-F153 AromaticContact CE2-CD1 3.91Å; F88-F153 HydrophobicContact CE2-CD1 3.91Å; F88-F153 AromaticContact CE2-CE1 3.27Å; F88-F153 HydrophobicContact CE2-CE1 3.27Å; F88-F153 AromaticContact CE2-CZ 3.77Å; F88-F153 HydrophobicContact CE2-CZ 3.77Å; F88-F153 AromaticContact CG-CE1 3.71Å; F88-F153 HydrophobicContact CG-CE1 3.71Å; F88-F153 AromaticContact CG-CZ 3.6Å; F88-F153 HydrophobicContact CG-CZ 3.6Å; F88-F153 HydrophobicContact CZ-CD1 4.13Å; F88-F153 AromaticContact CZ-CE1 3.51Å; F88-F153 HydrophobicContact CZ-CE1 3.51Å; F88-F153 HydrophobicContact CZ-CZ 4.34Å; F88-W158 HydrophobicContact CE2-CD2 4.1Å; F88-W158 AromaticContact CE2-CE2 3.7Å; F88-W158 HydrophobicContact CE2-CG 4.3Å; F88-W158 HydrophobicContact CE2-CZ2 4.15Å; F88-W158 AromaticContact CE2-NE1 3.58Å; F88-W158 HydrophobicContact CZ-CB 4.33Å; F88-W158 AromaticContact CZ-CD1 3.69Å; F88-W158 AromaticContact CZ-CD2 3.76Å; F88-W158 HydrophobicContact CZ-CD2 3.76Å; F88-W158 AromaticContact CZ-CE2 3.86Å; F88-W158 HydrophobicContact CZ-CE3 4.43Å; F88-W158 AromaticContact CZ-CG 3.68Å; F88-W158 HydrophobicContact CZ-CG 3.68Å; F88-W158 AromaticContact CZ-NE1 3.74Å; F88-F167 HydrophobicContact CD1-CZ 4.48Å; F88-F167 HydrophobicContact CE1-CE1 4.07Å; F88-F167 AromaticContact CE1-CZ 3.93Å; F88-F167 HydrophobicContact CE1-CZ 3.93Å; F88-L186 HydrophobicContact CD2-CD1 4.04Å; F88-L186 HydrophobicContact CE2-CD1 3.92Å
89E98Very high94.3Very high64 Ų6443.4 Ų43.430%0.29922%0.218SC..Hα-helixtrans-56.5-49.1-179.5-179.8178-94.900110.1W85 A91 V92 V93 F167W85-E89 HydrophobicContact CZ2-CB 4.33Å; W85-E89 PolarHBondContact NE1-OE1 3.01Å; W85-E89 WeakPolarHBondContact O-CB 3.37Å; W85-E89 PolarHBondContact O-N 3.08Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.92Å; E89-V92 PolarHBondContact O-N 3.2Å; E89-V93 HydrophobicContact CG-CG1 4.19Å; E89-V93 HydrophobicContact CG-CG2 4.27Å; E89-V93 WeakPolarHBondContact O-CG2 3.48Å; E89-V93 PolarHBondContact O-N 3.42Å; E89-F167 HydrophobicContact CB-CZ 4.39Å; E89-F167 HydrophobicContact CG-CE2 3.97Å; E89-F167 HydrophobicContact CG-CZ 4.2Å
90K96.9Very high94.7Very high92 Ų9243 Ų4340%0.422%0.217SC..Hα-helixtrans-54-43.6175.8-172.1-174.8174.8-172.80112.7R86 F88 V92 Q94R86-K90 VanDerWaalsContact O-CB 3.29Å; R86-K90 WeakPolarHBondContact O-CB 3.38Å; R86-K90 PolarHBondContact O-N 3.34Å; F88-K90 VanDerWaalsContact C-N 3.32Å; F88-K90 PolarHBondContact O-N 3.08Å; K90-V92 PolarHBondContact O-N 2.77Å; K90-Q94 VanDerWaalsContact CG-CD 3.42Å; K90-Q94 HydrophobicContact CG-CG 4.19Å; K90-Q94 VanDerWaalsContact CG-OE1 3.3Å; K90-Q94 WeakPolarHBondContact O-CB 3.41Å; K90-Q94 WeakPolarHBondContact O-CG 3.4Å; K90-Q94 PolarHBondContact O-N 2.98Å
91A96.5Very high94.9Very high5 Ų540.2 Ų40.24%0.04120%0.203CC..Hα-helixtrans-65-29.9-179.200000112.8Q87 F88 E89 H104 Y105Q87-A91 PolarHBondContact O-N 2.84Å; Q87-A91 VanDerWaalsContact O-N 3.1Å; F88-A91 WeakPolarHBondContact O-CB 3.23Å; F88-A91 PolarHBondContact O-N 3.49Å; F88-A91 VanDerWaalsContact O-N 3.1Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.92Å; A91-H104 HydrophobicContact CB-CB 4.13Å; A91-H104 WeakPolarHBondContact CB-O 3.29Å; A91-Y105 HydrophobicContact CB-CD1 3.62Å; A91-Y105 HydrophobicContact CB-CE1 3.72Å; A91-Y105 HydrophobicContact CB-CG 4.28Å
92V96.2Very high95Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-92.1-51.2-176-179.80000111.9F88 E89 K90 Y105 W158 F167 P182F88-V92 HydrophobicContact CD2-CG2 4.37Å; F88-V92 HydrophobicContact CE1-CG2 4.4Å; F88-V92 HydrophobicContact CE2-CG2 3.89Å; F88-V92 HydrophobicContact CZ-CG2 3.91Å; F88-V92 WeakPolarHBondContact O-CG2 3.38Å; F88-V92 PolarHBondContact O-N 2.87Å; E89-V92 PolarHBondContact O-N 3.2Å; K90-V92 PolarHBondContact O-N 2.77Å; V92-Y105 HydrophobicContact CG2-CE1 4.08Å; V92-W158 VanDerWaalsContact CG2-CD1 3.48Å; V92-F167 HydrophobicContact CB-CE1 3.95Å; V92-F167 HydrophobicContact CG1-CD1 3.93Å; V92-F167 HydrophobicContact CG1-CE1 3.66Å; V92-F167 HydrophobicContact CG2-CE1 4.46Å; V92-P182 HydrophobicContact CG2-CB 4.48Å
93V95.4Very high95Very high15 Ų1542 Ų429%0.09121%0.211CC..Hα-helixtrans-82.7-15.9-168.1-50.80000113.5E89 Q95 S165 F167E89-V93 HydrophobicContact CG-CG1 4.19Å; E89-V93 HydrophobicContact CG-CG2 4.27Å; E89-V93 WeakPolarHBondContact O-CG2 3.48Å; E89-V93 PolarHBondContact O-N 3.42Å; V93-Q95 PolarHBondContact O-N 3.29Å; V93-S165 WeakPolarHBondContact O-CA 3.41Å; V93-F167 HydrophobicContact CG1-CD1 4.14Å; V93-F167 HydrophobicContact CG1-CD2 3.87Å; V93-F167 HydrophobicContact CG1-CE1 4.09Å; V93-F167 HydrophobicContact CG1-CE2 3.81Å; V93-F167 HydrophobicContact CG1-CG 4.04Å; V93-F167 HydrophobicContact CG1-CZ 3.93Å
94Q92.3Very high95.1Very high112 Ų11242.6 Ų42.652%0.52321%0.214SC..THydrogen-bonded Turntrans-86.75.3176.1-61.4-169.5-17.300113.1K90K90-Q94 VanDerWaalsContact CG-CD 3.42Å; K90-Q94 HydrophobicContact CG-CG 4.19Å; K90-Q94 VanDerWaalsContact CG-OE1 3.3Å; K90-Q94 WeakPolarHBondContact O-CB 3.41Å; K90-Q94 WeakPolarHBondContact O-CG 3.4Å; K90-Q94 PolarHBondContact O-N 2.98Å
95Q89Confident95.1Very high45 Ų4542.5 Ų42.521%0.2121%0.213CC..SBendtrans-135.7146.8-172.7-59.8-56.6-35.300110.3V93 N99 V100 H104V93-Q95 PolarHBondContact O-N 3.29Å; Q95-N99 PolarHBondContact OE1-ND2 2.8Å; Q95-V100 HydrophobicContact CB-CG2 3.6Å; Q95-V100 HydrophobicContact CG-CG2 4.25Å; Q95-H104 PolarHBondContact NE2-NE2 2.93Å
96A86.4Confident95Very high43 Ų4348.2 Ų48.236%0.35524%0.238SC..  trans-63.7149.4167.100000110.7C98 N99A96-C98 PolarHBondContact O-N 3.29Å; A96-N99 HydrophobicContact CB-CB 4.39Å; A96-N99 PolarHBondContact O-N 3.48Å
97S86.8Confident94.9Very high13 Ų1347.6 Ų47.69%0.09124%0.24CC..THydrogen-bonded Turntrans-54.7-17.8-175.5-78.20000116.4C159 G160 P182S97-C159 VanDerWaalsContact OG-CB 3.3Å; S97-C159 WeakPolarHBondContact OG-CB 3.46Å; S97-G160 PolarHBondContact OG-O 3.28Å; S97-P182 WeakPolarHBondContact O-CD 3.23Å
98C91.5Very high94.9Very high51 Ų5146.8 Ų46.835%0.34524%0.236SC..THydrogen-bonded Turntrans-115.521.5174.9-78.40000113.7A96 C178 T180A96-C98 PolarHBondContact O-N 3.29Å; C98-C178 WeakPolarHBondContact CA-SG 3.32Å; C98-C178 HydrophobicContact CB-CB 3.69Å; C98-C178 WeakPolarHBondContact CB-SG 3.39Å; C98-C178 WeakPolarHBondContact SG-CB 3.46Å; C98-C178 CovalentContact SG-SG 2.05Å; C98-C178 PolarHBondContact SG-SG 3.02Å; C98-T180 CarbonylContact C-O 3.06Å; C98-T180 WeakPolarHBondContact O-CB 3.43Å; C98-T180 PolarHBondContact O-OG1 2.86Å
99N93.5Very high94.8Very high89 Ų8947.8 Ų47.848%0.47624%0.241SC..  trans-125.419.4179-162.245.9000113.1Q95 A96Q95-N99 PolarHBondContact OE1-ND2 2.8Å; A96-N99 HydrophobicContact CB-CB 4.39Å; A96-N99 PolarHBondContact O-N 3.48Å
100V95.8Very high94.6Very high1 Ų147.7 Ų47.71%0.00625%0.247CC..  trans-97.5110-179.5-1730000109.4Q95 H104 Y105 T180 P182 S185Q95-V100 HydrophobicContact CB-CG2 3.6Å; Q95-V100 HydrophobicContact CG-CG2 4.25Å; V100-H104 HydrophobicContact CG1-CB 4.35Å; V100-Y105 HydrophobicContact CG1-CD2 4.41Å; V100-Y105 HydrophobicContact CG1-CE2 3.63Å; V100-T180 CarbonylContact C-O 3.55Å; V100-T180 PolarHBondContact N-O 3.3Å; V100-T180 CarbonylContact O-C 3.58Å; V100-T180 VanDerWaalsContact O-C 3.22Å; V100-T180 WeakPolarHBondContact O-CA 3.4Å; V100-P182 HydrophobicContact CB-CB 3.92Å; V100-P182 HydrophobicContact CG1-CB 4.02Å; V100-P182 HydrophobicContact CG2-CB 3.92Å; V100-P182 HydrophobicContact CG2-CG 4.37Å; V100-S185 VanDerWaalsContact O-CB 3.28Å; V100-S185 WeakPolarHBondContact O-CB 3.43Å; V100-S185 PolarHBondContact O-OG 2.04Å
101T97Very high94.3Very high32 Ų3245.9 Ų45.920%0.19624%0.241CC..  trans-96.7170.5175.675.30000112E103 H104 T180T101-E103 WeakPolarHBondContact CB-OE2 3.44Å; T101-E103 PolarHBondContact O-N 3.05Å; T101-E103 PolarHBondContact OG1-N 2.99Å; T101-E103 PolarHBondContact OG1-OE2 3.42Å; T101-H104 PolarHBondContact N-ND1 3.38Å; T101-H104 WeakPolarHBondContact O-CB 3.4Å; T101-H104 PolarHBondContact O-N 3.47Å; T101-H104 PolarHBondContact OG1-ND1 3.5Å; T101-T180 HydrophobicContact CG2-CG2 3.92Å
102E96.5Very high94.1Very high22 Ų2246.2 Ų46.210%0.10324%0.242CC..G310 helixtrans-61.2-30.4177.3-59.295127.500112.9H104 Y105 K188 R189E102-H104 VanDerWaalsContact C-N 3.3Å; E102-H104 PolarHBondContact O-N 3.32Å; E102-Y105 PolarHBondContact O-N 3.03Å; E102-K188 HydrophobicContact CG-CB 4.32Å; E102-K188 HydrophobicContact CG-CD 4.46Å; E102-K188 HydrophobicContact CG-CG 4.21Å; E102-K188 WeakPolarHBondContact OE1-CD 3.35Å; E102-K188 WeakPolarHBondContact OE1-CE 3.04Å; E102-K188 IonicContact OE1-NZ 3.32Å; E102-K188 PolarHBondContact OE1-NZ 3.48Å; E102-R189 HydrophobicContact CB-CB 4.17Å; E102-R189 HydrophobicContact CG-CB 4.28Å
103E97.1Very high93.6Very high114 Ų11449.9 Ų49.953%0.53327%0.265SS..G310 helixtrans-66.2-32.5178.8-65.266.9-142.800111.9T101 Y105 F106 R189T101-E103 WeakPolarHBondContact CB-OE2 3.44Å; T101-E103 PolarHBondContact O-N 3.05Å; T101-E103 PolarHBondContact OG1-N 2.99Å; T101-E103 PolarHBondContact OG1-OE2 3.42Å; E103-Y105 PolarHBondContact O-N 3.18Å; E103-F106 WeakPolarHBondContact O-CB 3.11Å; E103-F106 PolarHBondContact O-N 3.45Å; E103-R189 IonicContact OE1-NH2 3.76Å
104H97.8Very high93Very high65 Ų6550.5 Ų50.530%0.30127%0.267SS..G310 helixtrans-62.5-29.5177-66.494.2000111.9A91 Q95 V100 T101 E102 F106A91-H104 HydrophobicContact CB-CB 4.13Å; A91-H104 WeakPolarHBondContact CB-O 3.29Å; Q95-H104 PolarHBondContact NE2-NE2 2.93Å; V100-H104 HydrophobicContact CG1-CB 4.35Å; T101-H104 PolarHBondContact N-ND1 3.38Å; T101-H104 WeakPolarHBondContact O-CB 3.4Å; T101-H104 PolarHBondContact O-N 3.47Å; T101-H104 PolarHBondContact OG1-ND1 3.5Å; E102-H104 VanDerWaalsContact C-N 3.3Å; E102-H104 PolarHBondContact O-N 3.32Å; H104-F106 VanDerWaalsContact C-N 3.35Å
105Y97.9Very high92.4Very high0 Ų051 Ų510%028%0.277CS..G310 helixtrans-86-1.9176.4-66.7-68.8000113.9F88 A91 V92 V100 E102 E103 E107 M108 F109 W158 P182 L186F88-Y105 HydrophobicContact CD2-CD1 4.45Å; F88-Y105 AromaticContact CD2-CE1 3.85Å; F88-Y105 HydrophobicContact CD2-CE1 3.85Å; F88-Y105 HydrophobicContact CE2-CE1 4.06Å; A91-Y105 HydrophobicContact CB-CD1 3.62Å; A91-Y105 HydrophobicContact CB-CE1 3.72Å; A91-Y105 HydrophobicContact CB-CG 4.28Å; V92-Y105 HydrophobicContact CG2-CE1 4.08Å; V100-Y105 HydrophobicContact CG1-CD2 4.41Å; V100-Y105 HydrophobicContact CG1-CE2 3.63Å; E102-Y105 PolarHBondContact O-N 3.03Å; E103-Y105 PolarHBondContact O-N 3.18Å; Y105-E107 VanDerWaalsContact C-N 3.34Å; Y105-E107 PolarHBondContact O-N 3.5Å; Y105-M108 HydrophobicContact CD1-CE 3.95Å; Y105-M108 HydrophobicContact CD1-SD 4.41Å; Y105-M108 HydrophobicContact CG-CE 4.4Å; Y105-M108 WeakPolarHBondContact O-CB 3.27Å; Y105-M108 PolarHBondContact O-N 3.49Å; Y105-F109 HydrophobicContact CG-CE2 4.49Å; Y105-F109 WeakPolarHBondContact O-CD2 3.35Å; Y105-F109 PolarHBondContact O-N 3.14Å; Y105-W158 PolarHBondContact OH-NE1 3.05Å; Y105-P182 WeakPolarHBondContact CE2-O 3.44Å; Y105-P182 VanDerWaalsContact OH-C 3.28Å; Y105-P182 WeakPolarHBondContact OH-CA 3.09Å; Y105-P182 WeakPolarHBondContact OH-CB 3.08Å; Y105-P182 PolarHBondContact OH-O 3.01Å; Y105-L186 HydrophobicContact CD1-CD1 4.22Å; Y105-L186 HydrophobicContact CD2-CB 4.18Å; Y105-L186 HydrophobicContact CE1-CB 4.38Å; Y105-L186 HydrophobicContact CE1-CD1 3.94Å; Y105-L186 HydrophobicContact CE2-CB 3.79Å
106F96.4Very high92.2Very high124 Ų12449.6 Ų49.654%0.54427%0.27SS..Hα-helixtrans-54-47.4-172.5177.4-96.6000113E103 H104 M108 F109 S110E103-F106 WeakPolarHBondContact O-CB 3.11Å; E103-F106 PolarHBondContact O-N 3.45Å; H104-F106 VanDerWaalsContact C-N 3.35Å; F106-M108 VanDerWaalsContact C-N 3.32Å; F106-M108 PolarHBondContact O-N 3.43Å; F106-F109 PolarHBondContact O-N 3.45Å; F106-S110 PolarHBondContact O-N 3.5Å
107E96.4Very high92.2Very high95 Ų9550.8 Ų50.844%0.44427%0.274SS..Hα-helixtrans-63.7-36.3179.7-66.2-62.7167.200112.5Q87 Y105 S110 M111Q87-E107 HydrophobicContact CG-CB 4.25Å; Y105-E107 VanDerWaalsContact C-N 3.34Å; Y105-E107 PolarHBondContact O-N 3.5Å; E107-S110 PolarHBondContact O-OG 3.3Å; E107-M111 WeakPolarHBondContact O-CG 3.41Å
108M97.1Very high92.5Very high1 Ų152.9 Ų52.91%0.00529%0.288CS..Hα-helixtrans-64.8-47.1174.7-173.6-159.959.700110.4I84 Q87 F88 Y105 F106 S110 M111 M112 V149 F153 L186I84-M108 HydrophobicContact CG2-CG 4.08Å; Q87-M108 HydrophobicContact CB-CB 3.91Å; F88-M108 HydrophobicContact CB-CG 4.3Å; F88-M108 HydrophobicContact CB-SD 3.6Å; F88-M108 HydrophobicContact CD2-SD 3.89Å; F88-M108 HydrophobicContact CG-SD 4.2Å; Y105-M108 HydrophobicContact CD1-CE 3.95Å; Y105-M108 HydrophobicContact CD1-SD 4.41Å; Y105-M108 HydrophobicContact CG-CE 4.4Å; Y105-M108 WeakPolarHBondContact O-CB 3.27Å; Y105-M108 PolarHBondContact O-N 3.49Å; F106-M108 VanDerWaalsContact C-N 3.32Å; F106-M108 PolarHBondContact O-N 3.43Å; M108-S110 PolarHBondContact O-N 3.21Å; M108-M111 PolarHBondContact O-N 3.28Å; M108-M112 HydrophobicContact CE-CE 3.75Å; M108-M112 HydrophobicContact CG-CE 3.73Å; M108-M112 WeakPolarHBondContact O-CE 3.45Å; M108-M112 HydrophobicContact SD-CE 4.02Å; M108-V149 HydrophobicContact CE-CG2 4.38Å; M108-F153 HydrophobicContact CE-CE2 4.41Å; M108-F153 HydrophobicContact SD-CE2 3.87Å; M108-F153 HydrophobicContact SD-CZ 3.96Å; M108-L186 HydrophobicContact CE-CD1 3.83Å; M108-L186 HydrophobicContact CE-CG 4.38Å; M108-L186 HydrophobicContact SD-CD1 4.48Å
109F96.3Very high92.6Very high20 Ų2054 Ų549%0.08829%0.291CS..Hα-helixtrans-67.6-34.4-179.3-83.1-80.6000113.4Y105 F106 M111 M112 V149 L186 R189 A190 N193Y105-F109 HydrophobicContact CG-CE2 4.49Å; Y105-F109 WeakPolarHBondContact O-CD2 3.35Å; Y105-F109 PolarHBondContact O-N 3.14Å; F106-F109 PolarHBondContact O-N 3.45Å; F109-M111 PolarHBondContact O-N 2.91Å; F109-M112 HydrophobicContact CD1-CE 4.38Å; F109-M112 PolarHBondContact O-N 3.21Å; F109-V149 HydrophobicContact CE1-CB 4.18Å; F109-V149 HydrophobicContact CE1-CG1 4Å; F109-V149 HydrophobicContact CE1-CG2 3.79Å; F109-V149 HydrophobicContact CZ-CG2 3.88Å; F109-L186 HydrophobicContact CZ-CG 4.4Å; F109-R189 HydrophobicContact CD1-CG 4.23Å; F109-R189 HydrophobicContact CD2-CB 4.26Å; F109-R189 HydrophobicContact CD2-CG 3.43Å; F109-R189 VanDerWaalsContact CD2-CG 3.43Å; F109-R189 HydrophobicContact CE1-CG 4.09Å; F109-R189 HydrophobicContact CE2-CB 3.65Å; F109-R189 HydrophobicContact CE2-CG 3.31Å; F109-R189 HydrophobicContact CG-CG 3.91Å; F109-R189 HydrophobicContact CZ-CB 3.86Å; F109-R189 HydrophobicContact CZ-CG 3.66Å; F109-A190 HydrophobicContact CE1-CB 4.03Å; F109-A190 HydrophobicContact CZ-CB 3.91Å; F109-N193 VanDerWaalsContact CD1-ND2 3.28Å; F109-N193 WeakPolarHBondContact CD1-ND2 3.18Å
110S93.8Very high92.5Very high63 Ų6354.2 Ų54.244%0.44129%0.285SS..Hα-helixtrans-62.1-26178.7770000112.4F106 E107 M108F106-S110 PolarHBondContact O-N 3.5Å; E107-S110 PolarHBondContact O-OG 3.3Å; M108-S110 PolarHBondContact O-N 3.21Å
111M90.9Very high92.5Very high53 Ų5354.2 Ų54.226%0.26129%0.285SS..THydrogen-bonded Turntrans-84.6-9.8176.9-61.9174.6-173.500113.7Y79 E83 I84 Q87 E107 M108 F109 P113Y79-M111 VanDerWaalsContact CD1-O 3.28Å; Y79-M111 WeakPolarHBondContact CD1-O 3.47Å; E83-M111 HydrophobicContact CG-CE 3.8Å; E83-M111 HydrophobicContact CG-SD 3.6Å; I84-M111 HydrophobicContact CG1-CB 4.14Å; Q87-M111 HydrophobicContact CG-CE 3.62Å; Q87-M111 HydrophobicContact CG-SD 3.88Å; E107-M111 WeakPolarHBondContact O-CG 3.41Å; M108-M111 PolarHBondContact O-N 3.28Å; F109-M111 PolarHBondContact O-N 2.91Å; M111-P113 VanDerWaalsContact O-CD 3.27Å; M111-P113 WeakPolarHBondContact O-CD 3.41Å
112M91.1Very high92.5Very high13 Ų1352.8 Ų52.86%0.06428%0.276CS..  trans-11443.5-176.4-62.6-171.8-66.800113.8I84 M108 F109 Q114 L148 V149 L152I84-M112 HydrophobicContact CD1-CG 3.71Å; I84-M112 HydrophobicContact CD1-SD 4.19Å; I84-M112 HydrophobicContact CG1-CG 4.04Å; I84-M112 HydrophobicContact CG1-SD 4.44Å; I84-M112 HydrophobicContact CG2-CG 4.43Å; I84-M112 HydrophobicContact CG2-SD 3.77Å; M108-M112 HydrophobicContact CE-CE 3.75Å; M108-M112 HydrophobicContact CG-CE 3.73Å; M108-M112 WeakPolarHBondContact O-CE 3.45Å; M108-M112 HydrophobicContact SD-CE 4.02Å; F109-M112 HydrophobicContact CD1-CE 4.38Å; F109-M112 PolarHBondContact O-N 3.21Å; M112-Q114 PolarHBondContact O-N 3.06Å; M112-L148 HydrophobicContact CB-CD2 4.04Å; M112-L148 HydrophobicContact CG-CD2 3.76Å; M112-L148 HydrophobicContact SD-CD2 3.97Å; M112-L148 HydrophobicContact SD-CG 4.14Å; M112-V149 HydrophobicContact CE-CB 3.94Å; M112-V149 HydrophobicContact CE-CG2 3.95Å; M112-V149 HydrophobicContact SD-CB 4.38Å; M112-L152 HydrophobicContact SD-CD2 4.45Å
113P86.4Confident92.6Very high76 Ų7651.9 Ų51.949%0.49427%0.272SS..  trans-68.8126.4-178.629.9-34.7000110.5R78 Y79 M111R78-P113 PolarHBondContact NH2-O 3.03Å; R78-P113 VanDerWaalsContact NH2-O 3.13Å; Y79-P113 PolarHBondContact OH-O 3.4Å; M111-P113 VanDerWaalsContact O-CD 3.27Å; M111-P113 WeakPolarHBondContact O-CD 3.41Å
114Q82.7Confident92.6Very high29 Ų2948.9 Ų48.914%0.13626%0.256CS..  trans-126.1150.8176-65.3-169.8-6300110.6Y51 M112Y51-Q114 PolarHBondContact OH-NE2 3.27Å; M112-Q114 PolarHBondContact O-N 3.06Å
115V80.5Confident92.5Very high121 Ų12146.3 Ų46.373%0.73325%0.245SC*.  trans-131.3128.6169.1-179.70000106.2
116W84.2Confident92.3Very high17 Ų1751 Ų516%0.06427%0.265CS..  trans-113.5151.8-178.7-71.981.3000111Y51 Q56 C118 F121 W142 D146 M197Y51-W116 WeakPolarHBondContact OH-CH2 3.39Å; Y51-W116 WeakPolarHBondContact OH-CZ2 3.46Å; Q56-W116 HydrophobicContact CG-CH2 4.29Å; W116-C118 PolarHBondContact O-N 2.68Å; W116-F121 HydrophobicContact CB-CE1 4.41Å; W116-F121 HydrophobicContact CB-CE2 4.46Å; W116-F121 HydrophobicContact CB-CZ 3.82Å; W116-W142 HydrophobicContact CD2-CG 4.44Å; W116-W142 HydrophobicContact CE3-CB 4.29Å; W116-W142 AromaticContact CE3-CD1 3.64Å; W116-W142 AromaticContact CE3-CD2 3.53Å; W116-W142 HydrophobicContact CE3-CD2 3.53Å; W116-W142 AromaticContact CE3-CE2 3.59Å; W116-W142 HydrophobicContact CE3-CE3 4.12Å; W116-W142 AromaticContact CE3-CG 3.58Å; W116-W142 HydrophobicContact CE3-CG 3.58Å; W116-W142 HydrophobicContact CE3-CZ2 4.2Å; W116-W142 AromaticContact CE3-NE1 3.65Å; W116-W142 HydrophobicContact CH2-CD2 4.04Å; W116-W142 AromaticContact CH2-CE3 3.74Å; W116-W142 HydrophobicContact CH2-CE3 3.74Å; W116-W142 HydrophobicContact CH2-CH2 4.46Å; W116-W142 AromaticContact CH2-CZ3 3.95Å; W116-W142 HydrophobicContact CH2-CZ3 3.95Å; W116-W142 HydrophobicContact CZ3-CB 4.46Å; W116-W142 AromaticContact CZ3-CD2 3.16Å; W116-W142 HydrophobicContact CZ3-CD2 3.16Å; W116-W142 AromaticContact CZ3-CE2 3.35Å; W116-W142 AromaticContact CZ3-CE3 3.28Å; W116-W142 HydrophobicContact CZ3-CE3 3.28Å; W116-W142 AromaticContact CZ3-CG 3.72Å; W116-W142 HydrophobicContact CZ3-CG 3.72Å; W116-W142 AromaticContact CZ3-CH2 3.73Å; W116-W142 HydrophobicContact CZ3-CH2 3.73Å; W116-W142 AromaticContact CZ3-CZ2 3.65Å; W116-W142 HydrophobicContact CZ3-CZ2 3.65Å; W116-W142 AromaticContact CZ3-CZ3 3.55Å; W116-W142 HydrophobicContact CZ3-CZ3 3.55Å; W116-W142 AromaticContact CZ3-NE1 3.93Å; W116-D146 WeakPolarHBondContact CH2-O 3.32Å; W116-D146 VanDerWaalsContact CZ2-O 3.27Å; W116-D146 WeakPolarHBondContact CZ2-O 3.42Å; W116-M197 HydrophobicContact CB-SD 4.46Å; W116-M197 VanDerWaalsContact CD1-SD 3.53Å; W116-M197 HydrophobicContact CG-CE 4.2Å; W116-M197 HydrophobicContact CG-SD 4.38Å
117P87.5Confident92.2Very high67 Ų6745.7 Ų45.744%0.43524%0.243SC..  trans-60.1138.5176-18.530.3000111.1F121P117-F121 WeakPolarHBondContact O-CE2 3.34Å
118C92Very high91.9Very high57 Ų5743.9 Ų43.939%0.38523%0.232SC..THydrogen-bonded Turntrans-61167173.1-58.80000111.8W116 R120 C199W116-C118 PolarHBondContact O-N 2.68Å; C118-R120 WeakPolarHBondContact O-CG 3.4Å; C118-R120 PolarHBondContact O-N 3.34Å; C118-C199 WeakPolarHBondContact CA-O 3.32Å; C118-C199 WeakPolarHBondContact CA-SG 3.4Å; C118-C199 HydrophobicContact CB-CB 3.98Å; C118-C199 WeakPolarHBondContact CB-O 3.37Å; C118-C199 WeakPolarHBondContact CB-SG 3.32Å; C118-C199 WeakPolarHBondContact SG-CB 3.21Å; C118-C199 CovalentContact SG-SG 2.04Å; C118-C199 PolarHBondContact SG-SG 3.08Å
119D94.1Very high91.6Very high74 Ų7451 Ų5140%0.39627%0.267SS..THydrogen-bonded Turntrans71.92.2176.9-51.1-62.5000115.1H140 C199 G200 N201D119-H140 PolarHBondContact O-CE1 3.43Å; D119-H140 VanDerWaalsContact O-CE1 3.25Å; D119-C199 PolarHBondContact N-O 2.93Å; D119-G200 WeakPolarHBondContact OD1-CA 2.98Å; D119-N201 CarbonylContact C-O 3.53Å; D119-N201 WeakPolarHBondContact CA-O 3.24Å; D119-N201 HydrophobicContact CB-CB 4.37Å; D119-N201 PolarHBondContact OD1-N 3.16Å
120R91Very high91.3Very high95 Ų9551.3 Ų51.336%0.35827%0.27SS..  trans-116.4-0-169.4-62.3-166.8-179.5-1553.4115.3C118 L122 H140 F141 W142C118-R120 WeakPolarHBondContact O-CG 3.4Å; C118-R120 PolarHBondContact O-N 3.34Å; R120-L122 PolarHBondContact O-N 2.84Å; R120-H140 WeakPolarHBondContact CB-O 3.27Å; R120-H140 WeakPolarHBondContact CD-O 3.42Å; R120-H140 WeakPolarHBondContact CG-O 3.49Å; R120-F141 CarbonylContact O-C 3.4Å; R120-F141 WeakPolarHBondContact O-CA 3.18Å; R120-W142 VanDerWaalsContact CB-CD1 3.47Å; R120-W142 PolarHBondContact O-N 3.06Å
121F96.1Very high91.1Very high1 Ų148.3 Ų48.30%0.00425%0.249CC..BIsolated β-bridgetrans-77.8125.1-173.4-67.2-103.5000110.8W116 P117 F123 F194 M197 A198 V202 T203W116-F121 HydrophobicContact CB-CE1 4.41Å; W116-F121 HydrophobicContact CB-CE2 4.46Å; W116-F121 HydrophobicContact CB-CZ 3.82Å; P117-F121 WeakPolarHBondContact O-CE2 3.34Å; F121-F123 HydrophobicContact CB-CE2 3.91Å; F121-F194 HydrophobicContact CB-CZ 4.34Å; F121-F194 HydrophobicContact CD1-CD2 4.14Å; F121-F194 HydrophobicContact CD1-CE1 4.19Å; F121-F194 AromaticContact CD1-CE2 3.62Å; F121-F194 HydrophobicContact CD1-CE2 3.62Å; F121-F194 AromaticContact CD1-CZ 3.64Å; F121-F194 HydrophobicContact CD1-CZ 3.64Å; F121-F194 HydrophobicContact CE1-CD2 4.23Å; F121-F194 AromaticContact CE1-CE2 3.98Å; F121-F194 HydrophobicContact CE1-CE2 3.98Å; F121-F194 HydrophobicContact CE1-CZ 4.45Å; F121-F194 HydrophobicContact CG-CZ 4.43Å; F121-M197 HydrophobicContact CE1-CB 4.32Å; F121-M197 HydrophobicContact CE1-CE 4.01Å; F121-M197 HydrophobicContact CE1-CG 4.08Å; F121-M197 HydrophobicContact CZ-CG 3.96Å; F121-A198 HydrophobicContact CB-CB 4.24Å; F121-A198 HydrophobicContact CD1-CB 3.71Å; F121-A198 HydrophobicContact CD2-CB 4.18Å; F121-A198 HydrophobicContact CE1-CB 4.08Å; F121-A198 HydrophobicContact CG-CB 3.77Å; F121-A198 HydrophobicContact CZ-CB 4.49Å; F121-V202 HydrophobicContact CB-CB 4.37Å; F121-V202 HydrophobicContact CB-CG1 4.02Å; F121-T203 PolarHBondContact O-N 3.1Å
122L96.8Very high90.9Very high1 Ų148.5 Ų48.51%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-119.8104.8-179.817859.2000110.5R120 V131 Y134 A135 F141 W142 T143 T203 L205R120-L122 PolarHBondContact O-N 2.84Å; L122-V131 HydrophobicContact CD1-CG2 4.18Å; L122-V131 HydrophobicContact CD2-CG2 3.39Å; L122-V131 HydrophobicContact CG-CG2 3.59Å; L122-Y134 HydrophobicContact CD2-CD1 3.78Å; L122-Y134 HydrophobicContact CD2-CE1 4.32Å; L122-A135 HydrophobicContact CD2-CB 4.44Å; L122-F141 HydrophobicContact CB-CB 3.93Å; L122-F141 HydrophobicContact CB-CD1 4.08Å; L122-F141 HydrophobicContact CB-CG 4.21Å; L122-F141 HydrophobicContact CD2-CB 3.78Å; L122-F141 HydrophobicContact CD2-CD2 4.48Å; L122-F141 HydrophobicContact CD2-CG 4.06Å; L122-W142 PolarHBondContact N-O 3.39Å; L122-T143 HydrophobicContact CB-CG2 4.22Å; L122-T143 HydrophobicContact CD2-CG2 4.04Å; L122-T143 HydrophobicContact CG-CG2 4.13Å; L122-T203 CarbonylContact C-O 3.54Å; L122-T203 WeakPolarHBondContact CA-O 3.26Å; L122-T203 HydrophobicContact CD1-CG2 3.72Å; L122-L205 HydrophobicContact CD1-CB 4.49Å
123F98.1Very high90.8Very high3 Ų350.6 Ų50.61%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-88157.5171.9-60.1-89.6000110.1F121 F194 A195 A198 V202 T203 V204 L205 F220 E224 L228F121-F123 HydrophobicContact CB-CE2 3.91Å; F123-F194 HydrophobicContact CD1-CD1 4.03Å; F123-F194 AromaticContact CD1-CE1 3.9Å; F123-F194 HydrophobicContact CD1-CE1 3.9Å; F123-F194 AromaticContact CE1-CD1 3.42Å; F123-F194 HydrophobicContact CE1-CD1 3.42Å; F123-F194 VanDerWaalsContact CE1-CD1 3.42Å; F123-F194 AromaticContact CE1-CE1 3.58Å; F123-F194 HydrophobicContact CE1-CE1 3.58Å; F123-F194 HydrophobicContact CE2-CE1 4.34Å; F123-F194 HydrophobicContact CG-CE1 4.43Å; F123-F194 AromaticContact CZ-CD1 3.88Å; F123-F194 HydrophobicContact CZ-CD1 3.88Å; F123-F194 AromaticContact CZ-CE1 3.8Å; F123-F194 HydrophobicContact CZ-CE1 3.8Å; F123-A195 HydrophobicContact CE1-CB 4.09Å; F123-A195 HydrophobicContact CZ-CB 4.32Å; F123-A198 HydrophobicContact CE2-CB 4.33Å; F123-A198 HydrophobicContact CZ-CB 4.06Å; F123-V202 HydrophobicContact CD2-CB 4.34Å; F123-V202 HydrophobicContact CE2-CB 4.02Å; F123-V202 HydrophobicContact CE2-CG1 4.25Å; F123-V202 HydrophobicContact CE2-CG2 4.49Å; F123-T203 PolarHBondContact N-O 3.23Å; F123-V204 HydrophobicContact CB-CB 4.14Å; F123-V204 HydrophobicContact CB-CG2 4.07Å; F123-V204 CarbonylContact O-C 3.24Å; F123-V204 VanDerWaalsContact O-CA 3.31Å; F123-V204 WeakPolarHBondContact O-CA 3.45Å; F123-L205 PolarHBondContact O-N 3.01Å; F123-F220 HydrophobicContact CB-CD2 3.92Å; F123-F220 HydrophobicContact CB-CE2 3.91Å; F123-F220 HydrophobicContact CD1-CD2 4.43Å; F123-F220 HydrophobicContact CG-CD2 4.4Å; F123-F220 HydrophobicContact CG-CE2 4.28Å; F123-E224 HydrophobicContact CD1-CB 3.99Å; F123-E224 HydrophobicContact CD1-CG 4.24Å; F123-E224 WeakPolarHBondContact CD1-OE2 3.4Å; F123-E224 HydrophobicContact CE1-CB 3.98Å; F123-E224 HydrophobicContact CE1-CG 4.32Å; F123-L228 HydrophobicContact CE2-CD2 4.14Å; F123-L228 HydrophobicContact CZ-CD2 3.82Å
124W97.3Very high90.9Very high52 Ų5247.6 Ų47.620%0.19724%0.243CC..EExtended strand (participates in β ladder)trans-155.7152.5-179.961.9-92.1000111.8T127 R128 V131 E145 L205W124-T127 WeakPolarHBondContact CB-OG1 3.37Å; W124-R128 HydrophobicContact CE3-CB 4.17Å; W124-R128 HydrophobicContact CH2-CB 3.49Å; W124-R128 VanDerWaalsContact CH2-CB 3.49Å; W124-R128 HydrophobicContact CH2-CG 3.64Å; W124-R128 HydrophobicContact CZ2-CB 4.11Å; W124-R128 HydrophobicContact CZ2-CG 3.92Å; W124-R128 HydrophobicContact CZ3-CB 3.51Å; W124-R128 HydrophobicContact CZ3-CG 4.21Å; W124-V131 HydrophobicContact CB-CB 4.04Å; W124-V131 HydrophobicContact CB-CG1 4.15Å; W124-V131 HydrophobicContact CB-CG2 3.83Å; W124-V131 HydrophobicContact CD2-CG1 3.87Å; W124-V131 HydrophobicContact CG-CB 4.04Å; W124-V131 HydrophobicContact CG-CG1 3.59Å; W124-V131 HydrophobicContact CG-CG2 3.99Å; W124-E145 VanDerWaalsContact CZ2-OE1 3.24Å; W124-E145 WeakPolarHBondContact CZ2-OE1 3.02Å; W124-E145 PolarHBondContact NE1-OE2 3.42Å; W124-E145 VanDerWaalsContact NE1-OE2 3.1Å; W124-L205 WeakPolarHBondContact CA-O 3.49Å; W124-L205 HydrophobicContact CB-CB 4.35Å
125S96.4Very high91.1Very high11 Ų1146.7 Ų46.78%0.07724%0.241CC..EExtended strand (participates in β ladder)trans-141.3120.8173.9-172.10000109.9T127 L205S125-T127 PolarHBondContact O-N 2.85Å; S125-T127 PolarHBondContact O-OG1 2.61Å; S125-L205 PolarHBondContact N-O 3.03Å; S125-L205 VanDerWaalsContact N-O 3.08Å
126K93.1Very high91.2Very high98 Ų9844.2 Ų44.243%0.42623%0.234SC..SBendtrans57.528.8180-50.7167.9-177.2171.30113.8I210 N212K126-I210 HydrophobicContact CB-CD1 4.1Å; K126-I210 HydrophobicContact CD-CD1 3.22Å; K126-I210 HydrophobicContact CG-CD1 4.32Å; K126-N212 PolarHBondContact NZ-O 2.99Å
127T93.4Very high91.1Very high12 Ų1247.6 Ų47.67%0.07426%0.256CS..  trans-131.720.2-177.947.10000112.9W124 S125 M129 L130 V131 L205 N207 V241W124-T127 WeakPolarHBondContact CB-OG1 3.37Å; S125-T127 PolarHBondContact O-N 2.85Å; S125-T127 PolarHBondContact O-OG1 2.61Å; T127-M129 PolarHBondContact O-N 3.3Å; T127-L130 PolarHBondContact O-N 3.13Å; T127-L130 VanDerWaalsContact O-N 3.07Å; T127-V131 PolarHBondContact O-N 3.01Å; T127-L205 HydrophobicContact CG2-CG 4.23Å; T127-L205 PolarHBondContact OG1-O 3.38Å; T127-N207 HydrophobicContact CG2-CB 3.7Å; T127-V241 HydrophobicContact CG2-CG2 3.97Å
128R91.8Very high90.6Very high58 Ų5847.9 Ų47.922%0.21925%0.25CS..Hα-helixtrans-45.6-50.4-173.4-171.4175.9174.874.1-0.8115.2W124 L130 V131 H132 E145 N154 D155W124-R128 HydrophobicContact CE3-CB 4.17Å; W124-R128 HydrophobicContact CH2-CB 3.49Å; W124-R128 VanDerWaalsContact CH2-CB 3.49Å; W124-R128 HydrophobicContact CH2-CG 3.64Å; W124-R128 HydrophobicContact CZ2-CB 4.11Å; W124-R128 HydrophobicContact CZ2-CG 3.92Å; W124-R128 HydrophobicContact CZ3-CB 3.51Å; W124-R128 HydrophobicContact CZ3-CG 4.21Å; R128-L130 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.04Å; R128-V131 WeakPolarHBondContact O-CG1 3.33Å; R128-V131 PolarHBondContact O-N 3.08Å; R128-H132 PolarHBondContact O-N 3.25Å; R128-E145 IonicContact NH1-OE1 2.63Å; R128-E145 PolarHBondContact NH1-OE1 3.35Å; R128-N154 PolarHBondContact NH1-OD1 3.46Å; R128-N154 VanDerWaalsContact NH2-CG 3.27Å; R128-N154 PolarHBondContact NH2-ND2 2.96Å; R128-N154 PolarHBondContact NH2-OD1 3.45Å; R128-D155 IonicContact CZ-OD1 2.76Å; R128-D155 IonicContact NE-OD1 3.01Å; R128-D155 IonicContact NH2-OD1 3.47Å; R128-D155 PolarHBondContact NH2-OD1 3.25Å; R128-D155 IonicContact NH2-OD2 3.51Å; R128-D155 PolarHBondContact NH2-OD2 3.18Å
129M88.9Confident89.6Confident150 Ų15055.5 Ų55.574%0.73927%0.271SS*.Hα-helixtrans-65.3-40.6-176.5-68-56.5-61.900112T127 S133T127-M129 PolarHBondContact O-N 3.3Å; M129-S133 PolarHBondContact O-N 3.45Å; M129-S133 PolarHBondContact O-OG 3.45Å
130L90.3Very high88.9Confident27 Ų2755.7 Ų55.714%0.14127%0.269CS..Hα-helixtrans-72.5-40.6179.7-177.661.1000111.5T127 R128 H132 S133 Y134 L205 V241 L280 L283 Q284T127-L130 PolarHBondContact O-N 3.13Å; T127-L130 VanDerWaalsContact O-N 3.07Å; R128-L130 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.04Å; L130-H132 PolarHBondContact O-N 3.07Å; L130-S133 PolarHBondContact O-N 2.86Å; L130-Y134 WeakPolarHBondContact O-CB 3.41Å; L130-Y134 PolarHBondContact O-N 3.4Å; L130-L205 HydrophobicContact CD2-CD2 4.15Å; L130-L205 HydrophobicContact CG-CD2 4.16Å; L130-V241 HydrophobicContact CD2-CB 4.22Å; L130-V241 HydrophobicContact CD2-CG1 4.19Å; L130-V241 HydrophobicContact CD2-CG2 3.88Å; L130-L280 HydrophobicContact CD1-CD2 4.23Å; L130-L280 HydrophobicContact CD2-CD2 4.13Å; L130-L280 HydrophobicContact CG-CD2 4.06Å; L130-L283 HydrophobicContact CD1-CB 4.17Å; L130-Q284 HydrophobicContact CD1-CG 3.83Å; L130-Q284 HydrophobicContact CD2-CG 4.11Å
131V91.1Very high88.8Confident0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-65-40.5-177.784.80000111.9L122 W124 T127 R128 S133 Y134 A135 T143 L205L122-V131 HydrophobicContact CD1-CG2 4.18Å; L122-V131 HydrophobicContact CD2-CG2 3.39Å; L122-V131 HydrophobicContact CG-CG2 3.59Å; W124-V131 HydrophobicContact CB-CB 4.04Å; W124-V131 HydrophobicContact CB-CG1 4.15Å; W124-V131 HydrophobicContact CB-CG2 3.83Å; W124-V131 HydrophobicContact CD2-CG1 3.87Å; W124-V131 HydrophobicContact CG-CB 4.04Å; W124-V131 HydrophobicContact CG-CG1 3.59Å; W124-V131 HydrophobicContact CG-CG2 3.99Å; T127-V131 PolarHBondContact O-N 3.01Å; R128-V131 WeakPolarHBondContact O-CG1 3.33Å; R128-V131 PolarHBondContact O-N 3.08Å; V131-S133 VanDerWaalsContact C-N 3.35Å; V131-Y134 PolarHBondContact O-N 3.27Å; V131-A135 WeakPolarHBondContact O-CB 3.48Å; V131-A135 PolarHBondContact O-N 2.84Å; V131-T143 HydrophobicContact CG1-CG2 4.36Å; V131-T143 HydrophobicContact CG2-CG2 3.94Å; V131-L205 HydrophobicContact CB-CD2 4.06Å; V131-L205 HydrophobicContact CG2-CD2 4.18Å
132H86.2Confident88.5Confident57 Ų5754.2 Ų54.226%0.26426%0.264SS..Hα-helixtrans-66.3-38.9176.9-68.8173.7000111.4R128 L130 A136 E145R128-H132 PolarHBondContact O-N 3.25Å; L130-H132 PolarHBondContact O-N 3.07Å; H132-A136 VanDerWaalsContact O-CB 3.27Å; H132-A136 WeakPolarHBondContact O-CB 3.37Å; H132-A136 PolarHBondContact O-N 3.29Å; H132-E145 IonicContact NE2-OE2 3.77Å
133S87.9Confident88.4Confident57 Ų5754.2 Ų54.240%0.39926%0.264SS..Hα-helixtrans-64.8-42.6174.2-56.40000111.4M129 L130 V131 A136 V137M129-S133 PolarHBondContact O-N 3.45Å; M129-S133 PolarHBondContact O-OG 3.45Å; L130-S133 PolarHBondContact O-N 2.86Å; V131-S133 VanDerWaalsContact C-N 3.35Å; S133-A136 PolarHBondContact O-N 3.48Å; S133-V137 WeakPolarHBondContact O-CG2 3.37Å; S133-V137 PolarHBondContact O-N 2.7Å; S133-V137 VanDerWaalsContact O-N 3.13Å
134Y88.6Confident88.4Confident12 Ų1254.4 Ų54.45%0.04727%0.265CS..Hα-helixtrans-63.8-47.7178-175-118.9000111.8L122 L130 V131 A136 V137 F138 F141 T279 L280 L283L122-Y134 HydrophobicContact CD2-CD1 3.78Å; L122-Y134 HydrophobicContact CD2-CE1 4.32Å; L130-Y134 WeakPolarHBondContact O-CB 3.41Å; L130-Y134 PolarHBondContact O-N 3.4Å; V131-Y134 PolarHBondContact O-N 3.27Å; Y134-A136 VanDerWaalsContact C-N 3.34Å; Y134-A136 PolarHBondContact O-N 2.98Å; Y134-V137 PolarHBondContact O-N 3.3Å; Y134-F138 AromaticContact CD2-CD2 3.64Å; Y134-F138 HydrophobicContact CD2-CD2 3.64Å; Y134-F138 HydrophobicContact CD2-CE2 4.08Å; Y134-F138 AromaticContact CE2-CD2 3.62Å; Y134-F138 HydrophobicContact CE2-CD2 3.62Å; Y134-F138 AromaticContact CE2-CE2 3.97Å; Y134-F138 HydrophobicContact CE2-CE2 3.97Å; Y134-F138 HydrophobicContact CE2-CG 4.27Å; Y134-F138 HydrophobicContact CG-CD2 4.46Å; Y134-F138 WeakPolarHBondContact O-CB 3.48Å; Y134-F138 WeakPolarHBondContact O-CD2 3.5Å; Y134-F138 PolarHBondContact O-N 2.8Å; Y134-F141 HydrophobicContact CD1-CD2 4.16Å; Y134-F141 HydrophobicContact CD1-CE2 4.44Å; Y134-F141 AromaticContact CE1-CD2 3.61Å; Y134-F141 HydrophobicContact CE1-CD2 3.61Å; Y134-F141 AromaticContact CE1-CE2 3.47Å; Y134-F141 HydrophobicContact CE1-CE2 3.47Å; Y134-F141 VanDerWaalsContact CE1-CE2 3.47Å; Y134-F141 HydrophobicContact CE1-CZ 4.31Å; Y134-F141 AromaticContact CZ-CE2 3.72Å; Y134-T279 HydrophobicContact CD2-CG2 4.29Å; Y134-T279 HydrophobicContact CE2-CG2 3.82Å; Y134-L280 HydrophobicContact CD1-CD2 4.25Å; Y134-L280 HydrophobicContact CD2-CD2 3.47Å; Y134-L280 VanDerWaalsContact CD2-CD2 3.47Å; Y134-L280 HydrophobicContact CD2-CG 4.08Å; Y134-L280 HydrophobicContact CE2-CD2 3.93Å; Y134-L280 HydrophobicContact CE2-CG 4.04Å; Y134-L280 HydrophobicContact CG-CD2 3.65Å; Y134-L283 HydrophobicContact CD2-CD1 3.68Å; Y134-L283 HydrophobicContact CG-CD1 4.33Å
135A86.9Confident88.3Confident10 Ų1052.6 Ų52.68%0.08326%0.259CS..Hα-helixtrans-63.8-37.1176.600000112.5L122 V131 V137 F138 R139 T143L122-A135 HydrophobicContact CD2-CB 4.44Å; V131-A135 WeakPolarHBondContact O-CB 3.48Å; V131-A135 PolarHBondContact O-N 2.84Å; A135-V137 PolarHBondContact O-N 3.1Å; A135-F138 CarbonylContact O-C 3.22Å; A135-F138 PolarHBondContact O-N 3.01Å; A135-R139 PolarHBondContact O-N 2.66Å; A135-T143 HydrophobicContact CB-CG2 4.34Å
136A83.6Confident88.1Confident70 Ų7054.4 Ų54.458%0.57927%0.268SS*.Hα-helixtrans-65.2-39.2177.900000112.9H132 S133 Y134H132-A136 VanDerWaalsContact O-CB 3.27Å; H132-A136 WeakPolarHBondContact O-CB 3.37Å; H132-A136 PolarHBondContact O-N 3.29Å; S133-A136 PolarHBondContact O-N 3.48Å; Y134-A136 VanDerWaalsContact C-N 3.34Å; Y134-A136 PolarHBondContact O-N 2.98Å
137V82.4Confident88.1Confident88 Ų8850 Ų5053%0.53325%0.249SC..Hα-helixtrans-75-44.4176.1176.10000110.7S133 Y134 A135 R139 L283S133-V137 WeakPolarHBondContact O-CG2 3.37Å; S133-V137 PolarHBondContact O-N 2.7Å; S133-V137 VanDerWaalsContact O-N 3.13Å; Y134-V137 PolarHBondContact O-N 3.3Å; A135-V137 PolarHBondContact O-N 3.1Å; V137-R139 PolarHBondContact O-N 3.46Å; V137-L283 HydrophobicContact CB-CD2 4.49Å; V137-L283 HydrophobicContact CG2-CD2 3.85Å
138F76.8Confident88.1Confident73 Ų7349.4 Ų49.432%0.3225%0.246SC..SBendtrans-100.979.1178-62.8-87.7000108.9Y134 A135 H140 F141 T279Y134-F138 AromaticContact CD2-CD2 3.64Å; Y134-F138 HydrophobicContact CD2-CD2 3.64Å; Y134-F138 HydrophobicContact CD2-CE2 4.08Å; Y134-F138 AromaticContact CE2-CD2 3.62Å; Y134-F138 HydrophobicContact CE2-CD2 3.62Å; Y134-F138 AromaticContact CE2-CE2 3.97Å; Y134-F138 HydrophobicContact CE2-CE2 3.97Å; Y134-F138 HydrophobicContact CE2-CG 4.27Å; Y134-F138 HydrophobicContact CG-CD2 4.46Å; Y134-F138 WeakPolarHBondContact O-CB 3.48Å; Y134-F138 WeakPolarHBondContact O-CD2 3.5Å; Y134-F138 PolarHBondContact O-N 2.8Å; A135-F138 CarbonylContact O-C 3.22Å; A135-F138 PolarHBondContact O-N 3.01Å; F138-H140 PolarHBondContact O-N 2.99Å; F138-F141 HydrophobicContact CB-CD2 3.95Å; F138-F141 HydrophobicContact CB-CE2 4.34Å; F138-F141 PolarHBondContact O-N 3.47Å; F138-T279 HydrophobicContact CD2-CG2 4.04Å; F138-T279 HydrophobicContact CE1-CG2 4.17Å; F138-T279 HydrophobicContact CE2-CG2 3.01Å; F138-T279 HydrophobicContact CZ-CG2 3.1Å
139R70.5Confident88.4Confident216 Ų21647.2 Ų47.282%0.81524%0.239SC*.THydrogen-bonded Turntrans-57.110.2175.4-60.3-172.8178.5-179.5-0.5115.3A135 V137A135-R139 PolarHBondContact O-N 2.66Å; V137-R139 PolarHBondContact O-N 3.46Å
140H79.8Confident88.8Confident79 Ų7940.1 Ų40.137%0.36620%0.204SC..THydrogen-bonded Turntrans-87.8-28.1172.1146.740.1000111.4D119 R120 F138D119-H140 PolarHBondContact O-CE1 3.43Å; D119-H140 VanDerWaalsContact O-CE1 3.25Å; R120-H140 WeakPolarHBondContact CB-O 3.27Å; R120-H140 WeakPolarHBondContact CD-O 3.42Å; R120-H140 WeakPolarHBondContact CG-O 3.49Å; F138-H140 PolarHBondContact O-N 2.99Å
141F89.3Confident89.1Confident16 Ų1641.7 Ų41.77%0.0721%0.209CC..  trans-93.1149.3-179.4-69.2-64.9000112.4R120 L122 Y134 F138R120-F141 CarbonylContact O-C 3.4Å; R120-F141 WeakPolarHBondContact O-CA 3.18Å; L122-F141 HydrophobicContact CB-CB 3.93Å; L122-F141 HydrophobicContact CB-CD1 4.08Å; L122-F141 HydrophobicContact CB-CG 4.21Å; L122-F141 HydrophobicContact CD2-CB 3.78Å; L122-F141 HydrophobicContact CD2-CD2 4.48Å; L122-F141 HydrophobicContact CD2-CG 4.06Å; Y134-F141 HydrophobicContact CD1-CD2 4.16Å; Y134-F141 HydrophobicContact CD1-CE2 4.44Å; Y134-F141 AromaticContact CE1-CD2 3.61Å; Y134-F141 HydrophobicContact CE1-CD2 3.61Å; Y134-F141 AromaticContact CE1-CE2 3.47Å; Y134-F141 HydrophobicContact CE1-CE2 3.47Å; Y134-F141 VanDerWaalsContact CE1-CE2 3.47Å; Y134-F141 HydrophobicContact CE1-CZ 4.31Å; Y134-F141 AromaticContact CZ-CE2 3.72Å; F138-F141 HydrophobicContact CB-CD2 3.95Å; F138-F141 HydrophobicContact CB-CE2 4.34Å; F138-F141 PolarHBondContact O-N 3.47Å
142W89.9Confident89.4Confident49 Ų4941.7 Ų41.719%0.18621%0.209CC..BIsolated β-bridgetrans-125.7126.1172.2-52.8110.2000108.5W116 R120 L122 D146 F194W116-W142 HydrophobicContact CD2-CG 4.44Å; W116-W142 HydrophobicContact CE3-CB 4.29Å; W116-W142 AromaticContact CE3-CD1 3.64Å; W116-W142 AromaticContact CE3-CD2 3.53Å; W116-W142 HydrophobicContact CE3-CD2 3.53Å; W116-W142 AromaticContact CE3-CE2 3.59Å; W116-W142 HydrophobicContact CE3-CE3 4.12Å; W116-W142 AromaticContact CE3-CG 3.58Å; W116-W142 HydrophobicContact CE3-CG 3.58Å; W116-W142 HydrophobicContact CE3-CZ2 4.2Å; W116-W142 AromaticContact CE3-NE1 3.65Å; W116-W142 HydrophobicContact CH2-CD2 4.04Å; W116-W142 AromaticContact CH2-CE3 3.74Å; W116-W142 HydrophobicContact CH2-CE3 3.74Å; W116-W142 HydrophobicContact CH2-CH2 4.46Å; W116-W142 AromaticContact CH2-CZ3 3.95Å; W116-W142 HydrophobicContact CH2-CZ3 3.95Å; W116-W142 HydrophobicContact CZ3-CB 4.46Å; W116-W142 AromaticContact CZ3-CD2 3.16Å; W116-W142 HydrophobicContact CZ3-CD2 3.16Å; W116-W142 AromaticContact CZ3-CE2 3.35Å; W116-W142 AromaticContact CZ3-CE3 3.28Å; W116-W142 HydrophobicContact CZ3-CE3 3.28Å; W116-W142 AromaticContact CZ3-CG 3.72Å; W116-W142 HydrophobicContact CZ3-CG 3.72Å; W116-W142 AromaticContact CZ3-CH2 3.73Å; W116-W142 HydrophobicContact CZ3-CH2 3.73Å; W116-W142 AromaticContact CZ3-CZ2 3.65Å; W116-W142 HydrophobicContact CZ3-CZ2 3.65Å; W116-W142 AromaticContact CZ3-CZ3 3.55Å; W116-W142 HydrophobicContact CZ3-CZ3 3.55Å; W116-W142 AromaticContact CZ3-NE1 3.93Å; R120-W142 VanDerWaalsContact CB-CD1 3.47Å; R120-W142 PolarHBondContact O-N 3.06Å; L122-W142 PolarHBondContact N-O 3.39Å; W142-D146 WeakPolarHBondContact CA-OD2 3.3Å; W142-D146 HydrophobicContact CB-CB 4.45Å; W142-D146 HydrophobicContact CE3-CB 3.78Å; W142-F194 WeakPolarHBondContact O-CZ 3.28Å
143T95.1Very high89.9Confident0 Ų039 Ų390%020%0.197CC..  trans-93.3174.9168.675.10000110.3L122 V131 A135 E145 D146L122-T143 HydrophobicContact CB-CG2 4.22Å; L122-T143 HydrophobicContact CD2-CG2 4.04Å; L122-T143 HydrophobicContact CG-CG2 4.13Å; V131-T143 HydrophobicContact CG1-CG2 4.36Å; V131-T143 HydrophobicContact CG2-CG2 3.94Å; A135-T143 HydrophobicContact CB-CG2 4.34Å; T143-E145 WeakPolarHBondContact CB-OE2 3.33Å; T143-E145 PolarHBondContact O-N 3.11Å; T143-E145 PolarHBondContact OG1-N 3.14Å; T143-E145 PolarHBondContact OG1-OE2 3.5Å; T143-D146 PolarHBondContact N-OD2 2.97Å; T143-D146 PolarHBondContact O-N 3.3Å; T143-D146 VanDerWaalsContact O-N 3.13Å
144L96.1Very high90.3Very high8 Ų837.5 Ų37.54%0.04218%0.184CC..G310 helixtrans-56.7-37.5172.9179.765.2000111D146 T147 G150 W187 A190 F194L144-D146 PolarHBondContact O-N 2.83Å; L144-T147 HydrophobicContact CD1-CG2 4.49Å; L144-T147 VanDerWaalsContact O-CB 3.32Å; L144-T147 WeakPolarHBondContact O-CB 3.41Å; L144-T147 WeakPolarHBondContact O-CG2 3.25Å; L144-T147 PolarHBondContact O-N 3.37Å; L144-T147 VanDerWaalsContact O-N 3.08Å; L144-T147 PolarHBondContact O-OG1 3.21Å; L144-G150 WeakPolarHBondContact O-CA 3.45Å; L144-W187 HydrophobicContact CD2-CE3 3.59Å; L144-W187 HydrophobicContact CD2-CZ3 3.68Å; L144-W187 HydrophobicContact CG-CE3 4.41Å; L144-W187 HydrophobicContact CG-CZ3 4.04Å; L144-A190 HydrophobicContact CD1-CB 4.04Å; L144-A190 WeakPolarHBondContact CD1-O 3.45Å; L144-A190 HydrophobicContact CD2-CB 4.26Å; L144-F194 HydrophobicContact CB-CD1 4.26Å; L144-F194 HydrophobicContact CB-CG 4.35Å; L144-F194 HydrophobicContact CD1-CB 3.45Å; L144-F194 VanDerWaalsContact CD1-CB 3.45Å; L144-F194 HydrophobicContact CD1-CD1 4.41Å; L144-F194 HydrophobicContact CD1-CD2 4.25Å; L144-F194 HydrophobicContact CD1-CG 3.82Å
145E95.3Very high90.6Very high13 Ų1342.3 Ų42.36%0.06121%0.211CC..G310 helixtrans-65.9-18.6179.9-62.774.8-162.700113.8W124 R128 H132 T143 G150 F151 N154W124-E145 VanDerWaalsContact CZ2-OE1 3.24Å; W124-E145 WeakPolarHBondContact CZ2-OE1 3.02Å; W124-E145 PolarHBondContact NE1-OE2 3.42Å; W124-E145 VanDerWaalsContact NE1-OE2 3.1Å; R128-E145 IonicContact NH1-OE1 2.63Å; R128-E145 PolarHBondContact NH1-OE1 3.35Å; H132-E145 IonicContact NE2-OE2 3.77Å; T143-E145 WeakPolarHBondContact CB-OE2 3.33Å; T143-E145 PolarHBondContact O-N 3.11Å; T143-E145 PolarHBondContact OG1-N 3.14Å; T143-E145 PolarHBondContact OG1-OE2 3.5Å; E145-G150 CarbonylContact O-C 3.44Å; E145-F151 WeakPolarHBondContact O-CA 3.33Å; E145-F151 PolarHBondContact O-N 3.25Å; E145-N154 VanDerWaalsContact CG-OD1 3.26Å; E145-N154 WeakPolarHBondContact CG-OD1 3.04Å
146D92.4Very high91.1Very high50 Ų5042.4 Ų42.427%0.26721%0.21SC..G310 helixtrans-85.2-11.2174.5-62.4-50000113.2Y51 W116 W142 T143 L144Y51-D146 VanDerWaalsContact CE2-O 3.23Å; Y51-D146 WeakPolarHBondContact CE2-O 3.3Å; Y51-D146 PolarHBondContact OH-O 3.37Å; W116-D146 WeakPolarHBondContact CH2-O 3.32Å; W116-D146 VanDerWaalsContact CZ2-O 3.27Å; W116-D146 WeakPolarHBondContact CZ2-O 3.42Å; W142-D146 WeakPolarHBondContact CA-OD2 3.3Å; W142-D146 HydrophobicContact CB-CB 4.45Å; W142-D146 HydrophobicContact CE3-CB 3.78Å; T143-D146 PolarHBondContact N-OD2 2.97Å; T143-D146 PolarHBondContact O-N 3.3Å; T143-D146 VanDerWaalsContact O-N 3.13Å; L144-D146 PolarHBondContact O-N 2.83Å
147T93.4Very high91.6Very high5 Ų542.4 Ų42.43%0.03120%0.2CC..SBendtrans-68162.7170.771.20000111.1L144 V149 G150 F151 F194L144-T147 HydrophobicContact CD1-CG2 4.49Å; L144-T147 VanDerWaalsContact O-CB 3.32Å; L144-T147 WeakPolarHBondContact O-CB 3.41Å; L144-T147 WeakPolarHBondContact O-CG2 3.25Å; L144-T147 PolarHBondContact O-N 3.37Å; L144-T147 VanDerWaalsContact O-N 3.08Å; L144-T147 PolarHBondContact O-OG1 3.21Å; T147-V149 WeakPolarHBondContact OG1-CG1 3.34Å; T147-G150 PolarHBondContact O-N 3.28Å; T147-G150 PolarHBondContact OG1-N 3.47Å; T147-F151 WeakPolarHBondContact O-CB 3.37Å; T147-F151 PolarHBondContact O-N 3.48Å; T147-F194 HydrophobicContact CG2-CD2 3.72Å; T147-F194 HydrophobicContact CG2-CE2 4.1Å
148L94.8Very high92.3Very high0 Ų038.2 Ų38.20%017%0.174CC..Hα-helixtrans-57.3-54.6177177.365.5000109.7Y51 T52 Y79 I84 M112 G150 F151 L152Y51-L148 HydrophobicContact CD1-CB 4.17Å; Y51-L148 HydrophobicContact CD1-CD1 3.35Å; Y51-L148 HydrophobicContact CD1-CG 4.33Å; Y51-L148 HydrophobicContact CE1-CB 3.83Å; Y51-L148 HydrophobicContact CE1-CD1 3.93Å; Y51-L148 HydrophobicContact CE1-CG 4.47Å; Y51-L148 HydrophobicContact CG-CD1 3.75Å; Y51-L148 PolarHBondContact OH-N 2.96Å; T52-L148 HydrophobicContact CG2-CD1 4.3Å; Y79-L148 HydrophobicContact CD1-CD2 3.74Å; Y79-L148 HydrophobicContact CD2-CD2 4.05Å; Y79-L148 HydrophobicContact CE1-CD2 3.92Å; Y79-L148 HydrophobicContact CE2-CD2 4.15Å; Y79-L148 HydrophobicContact CG-CD2 3.81Å; I84-L148 HydrophobicContact CD1-CD2 4.46Å; M112-L148 HydrophobicContact CB-CD2 4.04Å; M112-L148 HydrophobicContact CG-CD2 3.76Å; M112-L148 HydrophobicContact SD-CD2 3.97Å; M112-L148 HydrophobicContact SD-CG 4.14Å; L148-G150 VanDerWaalsContact C-N 3.32Å; L148-G150 PolarHBondContact O-N 3.44Å; L148-F151 PolarHBondContact O-N 2.69Å; L148-L152 HydrophobicContact CD1-CD1 3.42Å; L148-L152 VanDerWaalsContact CD1-CD1 3.42Å; L148-L152 HydrophobicContact CG-CD1 4.01Å; L148-L152 WeakPolarHBondContact O-CD1 3.27Å; L148-L152 PolarHBondContact O-N 3.38Å
149V96.9Very high93.2Very high12 Ų1234.7 Ų34.77%0.07316%0.159CC..Hα-helixtrans-59.7-42.7179660000112M108 F109 M112 T147 L152 F153 L186 A190M108-V149 HydrophobicContact CE-CG2 4.38Å; F109-V149 HydrophobicContact CE1-CB 4.18Å; F109-V149 HydrophobicContact CE1-CG1 4Å; F109-V149 HydrophobicContact CE1-CG2 3.79Å; F109-V149 HydrophobicContact CZ-CG2 3.88Å; M112-V149 HydrophobicContact CE-CB 3.94Å; M112-V149 HydrophobicContact CE-CG2 3.95Å; M112-V149 HydrophobicContact SD-CB 4.38Å; T147-V149 WeakPolarHBondContact OG1-CG1 3.34Å; V149-L152 PolarHBondContact O-N 2.93Å; V149-F153 HydrophobicContact CG2-CD2 3.9Å; V149-F153 HydrophobicContact CG2-CE2 4.27Å; V149-F153 WeakPolarHBondContact O-CD2 3.27Å; V149-F153 PolarHBondContact O-N 3.36Å; V149-L186 HydrophobicContact CG2-CD2 4.14Å; V149-A190 HydrophobicContact CG1-CB 4Å
150G97Very high94.3Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-60.2-50.1177.300000111.4L144 E145 T147 L148 L152 F153 N154L144-G150 WeakPolarHBondContact O-CA 3.45Å; E145-G150 CarbonylContact O-C 3.44Å; T147-G150 PolarHBondContact O-N 3.28Å; T147-G150 PolarHBondContact OG1-N 3.47Å; L148-G150 VanDerWaalsContact C-N 3.32Å; L148-G150 PolarHBondContact O-N 3.44Å; G150-L152 PolarHBondContact O-N 3.15Å; G150-F153 PolarHBondContact O-N 2.03Å; G150-N154 WeakPolarHBondContact O-CA 3.37Å; G150-N154 VanDerWaalsContact O-CB 3.24Å; G150-N154 WeakPolarHBondContact O-CB 3.19Å; G150-N154 PolarHBondContact O-N 2.7Å
151F96.3Very high94.8Very high60 Ų6023.1 Ų23.126%0.26312%0.115SC..Hα-helixtrans-62.2-41.8-178.9-173.2-93.2000112.4R47 T50 Y51 E145 T147 L148R47-F151 HydrophobicContact CB-CD1 3.97Å; R47-F151 HydrophobicContact CB-CE1 3.84Å; R47-F151 WeakPolarHBondContact CD-O 3.34Å; R47-F151 HydrophobicContact CG-CD1 4.46Å; R47-F151 HydrophobicContact CG-CE1 4.11Å; R47-F151 PolarHBondContact NH1-O 3.14Å; R47-F151 WeakPolarHBondContact O-CE1 3.45Å; T50-F151 HydrophobicContact CG2-CE1 4.35Å; T50-F151 HydrophobicContact CG2-CZ 4.19Å; Y51-F151 HydrophobicContact CD2-CB 3.63Å; Y51-F151 AromaticContact CD2-CD1 3.7Å; Y51-F151 HydrophobicContact CD2-CD1 3.7Å; Y51-F151 HydrophobicContact CD2-CD2 4.09Å; Y51-F151 HydrophobicContact CD2-CE1 4.37Å; Y51-F151 AromaticContact CD2-CG 3.54Å; Y51-F151 HydrophobicContact CD2-CG 3.54Å; Y51-F151 HydrophobicContact CE2-CB 3.92Å; Y51-F151 HydrophobicContact CE2-CG 4.2Å; Y51-F151 HydrophobicContact CG-CD1 4.22Å; Y51-F151 HydrophobicContact CG-CG 4.46Å; E145-F151 WeakPolarHBondContact O-CA 3.33Å; E145-F151 PolarHBondContact O-N 3.25Å; T147-F151 WeakPolarHBondContact O-CB 3.37Å; T147-F151 PolarHBondContact O-N 3.48Å; L148-F151 PolarHBondContact O-N 2.69Å
152L97.8Very high94.5Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-59.4-51.2177.9-95.162.5000111.4V44 R47 C48 I84 M112 L148 V149 G150 L156V44-L152 HydrophobicContact CG1-CB 4.28Å; V44-L152 HydrophobicContact CG1-CD2 3.95Å; V44-L152 HydrophobicContact CG1-CG 4.05Å; R47-L152 WeakPolarHBondContact CD-O 3.31Å; R47-L152 PolarHBondContact NH1-O 3.07Å; C48-L152 HydrophobicContact CB-CD1 3.94Å; C48-L152 HydrophobicContact CB-CD2 4.16Å; C48-L152 HydrophobicContact CB-CG 4.18Å; I84-L152 HydrophobicContact CG2-CD2 4.09Å; M112-L152 HydrophobicContact SD-CD2 4.45Å; L148-L152 HydrophobicContact CD1-CD1 3.42Å; L148-L152 VanDerWaalsContact CD1-CD1 3.42Å; L148-L152 HydrophobicContact CG-CD1 4.01Å; L148-L152 WeakPolarHBondContact O-CD1 3.27Å; L148-L152 PolarHBondContact O-N 3.38Å; V149-L152 PolarHBondContact O-N 2.93Å; G150-L152 PolarHBondContact O-N 3.15Å; L152-L156 WeakPolarHBondContact O-CD1 3.3Å
153F98.1Very high94.2Very high0 Ų037.1 Ų37.10%018%0.183CC..Hα-helixtrans-101.20-166.9-64.4-73.2000114.7V44 F88 M108 V149 G150 D155 L156 W158 L186V44-F153 HydrophobicContact CG1-CE1 4.03Å; V44-F153 HydrophobicContact CG1-CZ 3.97Å; V44-F153 HydrophobicContact CG2-CD1 4.05Å; V44-F153 HydrophobicContact CG2-CE1 3.77Å; F88-F153 HydrophobicContact CB-CZ 4.1Å; F88-F153 AromaticContact CD1-CE1 3.93Å; F88-F153 HydrophobicContact CD1-CE1 3.93Å; F88-F153 HydrophobicContact CD1-CZ 4.2Å; F88-F153 HydrophobicContact CD2-CD1 4.37Å; F88-F153 AromaticContact CD2-CE1 3.39Å; F88-F153 HydrophobicContact CD2-CE1 3.39Å; F88-F153 HydrophobicContact CD2-CE2 4.32Å; F88-F153 AromaticContact CD2-CZ 3.36Å; F88-F153 HydrophobicContact CD2-CZ 3.36Å; F88-F153 AromaticContact CE1-CE1 3.83Å; F88-F153 HydrophobicContact CE1-CE1 3.83Å; F88-F153 AromaticContact CE2-CD1 3.91Å; F88-F153 HydrophobicContact CE2-CD1 3.91Å; F88-F153 AromaticContact CE2-CE1 3.27Å; F88-F153 HydrophobicContact CE2-CE1 3.27Å; F88-F153 AromaticContact CE2-CZ 3.77Å; F88-F153 HydrophobicContact CE2-CZ 3.77Å; F88-F153 AromaticContact CG-CE1 3.71Å; F88-F153 HydrophobicContact CG-CE1 3.71Å; F88-F153 AromaticContact CG-CZ 3.6Å; F88-F153 HydrophobicContact CG-CZ 3.6Å; F88-F153 HydrophobicContact CZ-CD1 4.13Å; F88-F153 AromaticContact CZ-CE1 3.51Å; F88-F153 HydrophobicContact CZ-CE1 3.51Å; F88-F153 HydrophobicContact CZ-CZ 4.34Å; M108-F153 HydrophobicContact CE-CE2 4.41Å; M108-F153 HydrophobicContact SD-CE2 3.87Å; M108-F153 HydrophobicContact SD-CZ 3.96Å; V149-F153 HydrophobicContact CG2-CD2 3.9Å; V149-F153 HydrophobicContact CG2-CE2 4.27Å; V149-F153 WeakPolarHBondContact O-CD2 3.27Å; V149-F153 PolarHBondContact O-N 3.36Å; G150-F153 PolarHBondContact O-N 2.03Å; F153-D155 PolarHBondContact O-N 3.17Å; F153-L156 PolarHBondContact O-N 2.9Å; F153-L156 VanDerWaalsContact O-N 3.11Å; F153-W158 HydrophobicContact CB-CH2 3.82Å; F153-W158 HydrophobicContact CB-CZ3 3.99Å; F153-W158 HydrophobicContact CD1-CE3 4.46Å; F153-W158 HydrophobicContact CD1-CH2 4.07Å; F153-W158 HydrophobicContact CD1-CZ3 4.02Å; F153-W158 HydrophobicContact CG-CH2 4.18Å; F153-W158 HydrophobicContact CG-CZ3 4.41Å; F153-L186 HydrophobicContact CB-CD2 4.32Å; F153-L186 HydrophobicContact CD1-CD1 4.4Å; F153-L186 HydrophobicContact CD2-CD1 3.94Å; F153-L186 HydrophobicContact CD2-CD2 4.32Å; F153-L186 HydrophobicContact CE2-CD1 4.09Å; F153-L186 HydrophobicContact CG-CD1 4.11Å; F153-L186 HydrophobicContact CG-CD2 4.42Å; F153-L186 HydrophobicContact CZ-CD1 4.39Å
154N95.8Very high93.8Very high26 Ų2642 Ų4214%0.13921%0.209CC..THydrogen-bonded Turntrans-55130.7-178.5-152.925.8000112.5R47 R128 E145 G150 L156R47-N154 PolarHBondContact NH1-O 2.72Å; R47-N154 PolarHBondContact NH2-O 2.73Å; R128-N154 PolarHBondContact NH1-OD1 3.46Å; R128-N154 VanDerWaalsContact NH2-CG 3.27Å; R128-N154 PolarHBondContact NH2-ND2 2.96Å; R128-N154 PolarHBondContact NH2-OD1 3.45Å; E145-N154 VanDerWaalsContact CG-OD1 3.26Å; E145-N154 WeakPolarHBondContact CG-OD1 3.04Å; G150-N154 WeakPolarHBondContact O-CA 3.37Å; G150-N154 VanDerWaalsContact O-CB 3.24Å; G150-N154 WeakPolarHBondContact O-CB 3.19Å; G150-N154 PolarHBondContact O-N 2.7Å; N154-L156 PolarHBondContact O-N 2.96Å; N154-L156 VanDerWaalsContact O-N 3.1Å
155D94.3Very high93.6Very high113 Ų11346.3 Ų46.360%0.60424%0.239SC*.THydrogen-bonded Turntrans58.513.1-179.1-58.7-51.9000115.7R128 F153R128-D155 IonicContact CZ-OD1 2.76Å; R128-D155 IonicContact NE-OD1 3.01Å; R128-D155 IonicContact NH2-OD1 3.47Å; R128-D155 PolarHBondContact NH2-OD1 3.25Å; R128-D155 IonicContact NH2-OD2 3.51Å; R128-D155 PolarHBondContact NH2-OD2 3.18Å; F153-D155 PolarHBondContact O-N 3.17Å
156L96.7Very high93.5Very high12 Ų1249.5 Ų49.56%0.06326%0.257CS..  trans-91.5151.1174-51.6-174.9000110.9T37 I40 I43 V44 L152 F153 N154 W158T37-L156 HydrophobicContact CG2-CD2 4.05Å; I40-L156 HydrophobicContact CG1-CD1 4.33Å; I43-L156 HydrophobicContact CG2-CD1 4.06Å; I43-L156 HydrophobicContact CG2-CD2 4Å; V44-L156 HydrophobicContact CG2-CD1 3.58Å; L152-L156 WeakPolarHBondContact O-CD1 3.3Å; F153-L156 PolarHBondContact O-N 2.9Å; F153-L156 VanDerWaalsContact O-N 3.11Å; N154-L156 PolarHBondContact O-N 2.96Å; N154-L156 VanDerWaalsContact O-N 3.1Å; L156-W158 HydrophobicContact CB-CE3 3.97Å; L156-W158 HydrophobicContact CB-CZ3 3.88Å; L156-W158 VanDerWaalsContact O-CZ3 3.27Å; L156-W158 WeakPolarHBondContact O-CZ3 3.35Å
157I95.1Very high93.7Very high70 Ų7047.4 Ų47.436%0.35925%0.245SC..  trans-122.3140.2174-62.1173.3000107.4T36 T37 C172T36-I157 CarbonylContact C-O 3.58Å; T36-I157 WeakPolarHBondContact CA-O 3.34Å; T37-I157 PolarHBondContact N-O 3.06Å; T37-I157 PolarHBondContact OG1-N 2.81Å; T37-I157 PolarHBondContact OG1-O 2.83Å; I157-C172 HydrophobicContact CG2-CB 4.26Å
158W96.5Very high93.8Very high0 Ų049 Ų490%025%0.253CS..  trans-154.6151.7177.359.691.3000111.8T36 I40 F88 V92 Y105 F153 L156 F167 P182 V183 L186T36-W158 HydrophobicContact CG2-CB 4.02Å; T36-W158 WeakPolarHBondContact OG1-CA 3.48Å; I40-W158 HydrophobicContact CD1-CB 3.69Å; I40-W158 HydrophobicContact CD1-CE3 4.26Å; I40-W158 HydrophobicContact CD1-CG 4.33Å; F88-W158 HydrophobicContact CE2-CD2 4.1Å; F88-W158 AromaticContact CE2-CE2 3.7Å; F88-W158 HydrophobicContact CE2-CG 4.3Å; F88-W158 HydrophobicContact CE2-CZ2 4.15Å; F88-W158 AromaticContact CE2-NE1 3.58Å; F88-W158 HydrophobicContact CZ-CB 4.33Å; F88-W158 AromaticContact CZ-CD1 3.69Å; F88-W158 AromaticContact CZ-CD2 3.76Å; F88-W158 HydrophobicContact CZ-CD2 3.76Å; F88-W158 AromaticContact CZ-CE2 3.86Å; F88-W158 HydrophobicContact CZ-CE3 4.43Å; F88-W158 AromaticContact CZ-CG 3.68Å; F88-W158 HydrophobicContact CZ-CG 3.68Å; F88-W158 AromaticContact CZ-NE1 3.74Å; V92-W158 VanDerWaalsContact CG2-CD1 3.48Å; Y105-W158 PolarHBondContact OH-NE1 3.05Å; F153-W158 HydrophobicContact CB-CH2 3.82Å; F153-W158 HydrophobicContact CB-CZ3 3.99Å; F153-W158 HydrophobicContact CD1-CE3 4.46Å; F153-W158 HydrophobicContact CD1-CH2 4.07Å; F153-W158 HydrophobicContact CD1-CZ3 4.02Å; F153-W158 HydrophobicContact CG-CH2 4.18Å; F153-W158 HydrophobicContact CG-CZ3 4.41Å; L156-W158 HydrophobicContact CB-CE3 3.97Å; L156-W158 HydrophobicContact CB-CZ3 3.88Å; L156-W158 VanDerWaalsContact O-CZ3 3.27Å; L156-W158 WeakPolarHBondContact O-CZ3 3.35Å; W158-F167 HydrophobicContact CB-CD1 4.43Å; W158-F167 HydrophobicContact CB-CE1 4.34Å; W158-P182 WeakPolarHBondContact O-CG 3.15Å; W158-V183 HydrophobicContact CD2-CG2 3.66Å; W158-V183 HydrophobicContact CE3-CG2 3.95Å; W158-V183 HydrophobicContact CG-CG2 4.1Å; W158-V183 HydrophobicContact CH2-CB 4.47Å; W158-V183 HydrophobicContact CH2-CG1 4.27Å; W158-V183 HydrophobicContact CH2-CG2 4.2Å; W158-V183 HydrophobicContact CZ2-CB 4.19Å; W158-V183 HydrophobicContact CZ2-CG1 4.44Å; W158-V183 HydrophobicContact CZ2-CG2 3.94Å; W158-V183 HydrophobicContact CZ3-CG2 4.2Å; W158-V183 WeakPolarHBondContact O-CG2 3.13Å; W158-L186 HydrophobicContact CH2-CD1 4.18Å; W158-L186 HydrophobicContact CH2-CD2 4.18Å; W158-L186 HydrophobicContact CZ2-CB 3.8Å; W158-L186 HydrophobicContact CZ2-CD1 3.62Å; W158-L186 HydrophobicContact CZ2-CD2 4.2Å; W158-L186 HydrophobicContact CZ2-CG 4.07Å
159C95.6Very high93.8Very high0 Ų053.3 Ų53.30%027%0.273CS..  trans-161.7157.7172.166.30000110.2T36 S97 F167 D168 C172 P182T36-C159 PolarHBondContact OG1-N 3.48Å; T36-C159 VanDerWaalsContact OG1-N 3.08Å; T36-C159 PolarHBondContact OG1-O 3.19Å; S97-C159 VanDerWaalsContact OG-CB 3.3Å; S97-C159 WeakPolarHBondContact OG-CB 3.46Å; C159-F167 WeakPolarHBondContact O-CA 3.45Å; C159-D168 PolarHBondContact O-N 3.28Å; C159-C172 HydrophobicContact CB-CB 3.8Å; C159-C172 WeakPolarHBondContact CB-SG 3.44Å; C159-C172 PolarHBondContact N-SG 2.87Å; C159-C172 WeakPolarHBondContact SG-CA 3.46Å; C159-C172 WeakPolarHBondContact SG-CB 3.44Å; C159-C172 CovalentContact SG-SG 2.03Å; C159-C172 PolarHBondContact SG-SG 3.46Å; C159-P182 HydrophobicContact CB-CG 4.18Å
160G93.8Very high93.6Very high2 Ų259.6 Ų59.62%0.02131%0.306CS..BIsolated β-bridgetrans-93.4153.4177.100000111.8S97S97-G160 PolarHBondContact OG-O 3.28Å
161Q90.9Very high93.3Very high50 Ų5061.9 Ų61.923%0.23432%0.321CS..  trans-69.2158.9171-62.5-178.715.700110.9D164 D166 F167 D168Q161-D164 HydrophobicContact CB-CB 4.49Å; Q161-D166 PolarHBondContact N-O 2.87Å; Q161-F167 PolarHBondContact NE2-O 2.98Å; Q161-D168 HydrophobicContact CG-CB 3.8Å
162E83.3Confident93.1Very high172 Ų17259.2 Ų59.280%0.80431%0.31SS*.SBendtrans-78.6-36.5178.3-68.6-167.7168.200112.8
163E83.3Confident92.8Very high187 Ų18761 Ų6187%0.87432%0.322SS*.SBendtrans-103-33.8-171.6-61.1-174174.400113
164D85.9Confident92.3Very high103 Ų10362.3 Ų62.355%0.55133%0.333SS*.SBendtrans-109.3149.7-177.3-70.9-42.1000112.2Q161 D166Q161-D164 HydrophobicContact CB-CB 4.49Å; D164-D166 PolarHBondContact O-N 2.92Å
165S91.3Very high91.6Very high97 Ų9768.9 Ų68.968%0.67836%0.356SS*.SBendtrans-80.357.4174.4-60.20000112.2V93V93-S165 WeakPolarHBondContact O-CA 3.41Å
166D94.7Very high91.1Very high81 Ų8167.5 Ų67.543%0.43336%0.355SS..SBendtrans-140.2169.1176.8-1604.1000111.3Q161 D164Q161-D166 PolarHBondContact N-O 2.87Å; D164-D166 PolarHBondContact O-N 2.92Å
167F95.9Very high90.7Very high6 Ų671.4 Ų71.43%0.02638%0.38CS..BIsolated β-bridgetrans-70.8143.5172.2-67-80.8000111.3T36 W85 F88 E89 V92 V93 W158 C159 Q161 F169T36-F167 HydrophobicContact CG2-CB 4.03Å; T36-F167 HydrophobicContact CG2-CD1 3.88Å; T36-F167 HydrophobicContact CG2-CG 4.08Å; W85-F167 HydrophobicContact CH2-CE2 4.03Å; W85-F167 AromaticContact CH2-CZ 3.79Å; W85-F167 HydrophobicContact CH2-CZ 3.79Å; W85-F167 AromaticContact CZ2-CE2 3.79Å; W85-F167 HydrophobicContact CZ2-CE2 3.79Å; W85-F167 AromaticContact CZ2-CZ 3.92Å; W85-F167 HydrophobicContact CZ2-CZ 3.92Å; F88-F167 HydrophobicContact CD1-CZ 4.48Å; F88-F167 HydrophobicContact CE1-CE1 4.07Å; F88-F167 AromaticContact CE1-CZ 3.93Å; F88-F167 HydrophobicContact CE1-CZ 3.93Å; E89-F167 HydrophobicContact CB-CZ 4.39Å; E89-F167 HydrophobicContact CG-CE2 3.97Å; E89-F167 HydrophobicContact CG-CZ 4.2Å; V92-F167 HydrophobicContact CB-CE1 3.95Å; V92-F167 HydrophobicContact CG1-CD1 3.93Å; V92-F167 HydrophobicContact CG1-CE1 3.66Å; V92-F167 HydrophobicContact CG2-CE1 4.46Å; V93-F167 HydrophobicContact CG1-CD1 4.14Å; V93-F167 HydrophobicContact CG1-CD2 3.87Å; V93-F167 HydrophobicContact CG1-CE1 4.09Å; V93-F167 HydrophobicContact CG1-CE2 3.81Å; V93-F167 HydrophobicContact CG1-CG 4.04Å; V93-F167 HydrophobicContact CG1-CZ 3.93Å; W158-F167 HydrophobicContact CB-CD1 4.43Å; W158-F167 HydrophobicContact CB-CE1 4.34Å; C159-F167 WeakPolarHBondContact O-CA 3.45Å; Q161-F167 PolarHBondContact NE2-O 2.98Å; F167-F169 HydrophobicContact CB-CD2 4.19Å; F167-F169 HydrophobicContact CB-CE2 3.66Å; F167-F169 HydrophobicContact CB-CZ 3.91Å; F167-F169 HydrophobicContact CG-CZ 4.47Å; F167-F169 PolarHBondContact O-N 2.79Å
168D95Very high90.4Very high37 Ų3769.3 Ų69.320%0.19837%0.371CS..  trans-87.4106.8168.3-167.3-29.7000109.1T36 C159 Q161 N170 S171T36-D168 VanDerWaalsContact CB-O 3.23Å; T36-D168 WeakPolarHBondContact CB-O 3.44Å; T36-D168 PolarHBondContact N-O 2.89Å; T36-D168 PolarHBondContact OG1-O 2.86Å; C159-D168 PolarHBondContact O-N 3.28Å; Q161-D168 HydrophobicContact CG-CB 3.8Å; D168-N170 WeakPolarHBondContact OD1-CA 3.06Å; D168-N170 WeakPolarHBondContact OD1-CB 3.3Å; D168-N170 PolarHBondContact OD1-N 2.94Å; D168-S171 VanDerWaalsContact CG-O 3.28Å; D168-S171 PolarHBondContact OD1-N 2.98Å
169F94.9Very high90Very high92 Ų9279.9 Ų79.940%0.40441%0.411SS..SBendtrans-88.2-9.8176-69.5-80.5000113.4T36 I40 F167T36-F169 HydrophobicContact CG2-CD1 4.17Å; T36-F169 HydrophobicContact CG2-CE1 3.76Å; T36-F169 HydrophobicContact CG2-CZ 4.28Å; T36-F169 WeakPolarHBondContact O-CD1 3.41Å; I40-F169 HydrophobicContact CG2-CE1 4.35Å; I40-F169 HydrophobicContact CG2-CZ 4.4Å; F167-F169 HydrophobicContact CB-CD2 4.19Å; F167-F169 HydrophobicContact CB-CE2 3.66Å; F167-F169 HydrophobicContact CB-CZ 3.91Å; F167-F169 HydrophobicContact CG-CZ 4.47Å; F167-F169 PolarHBondContact O-N 2.79Å
170N92.8Very high89.9Confident144 Ų14482 Ų8277%0.7742%0.424SS*.SBendtrans-86.9-46.8-178.4-62.9-46.9000111D168D168-N170 WeakPolarHBondContact OD1-CA 3.06Å; D168-N170 WeakPolarHBondContact OD1-CB 3.3Å; D168-N170 PolarHBondContact OD1-N 2.94Å
171S91.3Very high90Very high47 Ų4782 Ų8233%0.32942%0.423SS..  trans-157.2123.8-173.81730000112.5T33 D168T33-S171 VanDerWaalsContact CB-OG 3.25Å; T33-S171 WeakPolarHBondContact CB-OG 3.36Å; T33-S171 PolarHBondContact OG1-OG 2.72Å; D168-S171 VanDerWaalsContact CG-O 3.28Å; D168-S171 PolarHBondContact OD1-N 2.98Å
172C92.4Very high90.2Very high4 Ų479.7 Ų79.73%0.02741%0.412CS..PPolyproline II helixtrans-103.1143.2166.3-680000111.3T33 F34 T36 I157 C159T33-C172 WeakPolarHBondContact CB-O 3.09Å; F34-C172 WeakPolarHBondContact O-CB 3.11Å; F34-C172 PolarHBondContact O-N 3.34Å; T36-C172 PolarHBondContact N-SG 3.07Å; T36-C172 VanDerWaalsContact N-SG 3.42Å; I157-C172 HydrophobicContact CG2-CB 4.26Å; C159-C172 HydrophobicContact CB-CB 3.8Å; C159-C172 WeakPolarHBondContact CB-SG 3.44Å; C159-C172 PolarHBondContact N-SG 2.87Å; C159-C172 WeakPolarHBondContact SG-CA 3.46Å; C159-C172 WeakPolarHBondContact SG-CB 3.44Å; C159-C172 CovalentContact SG-SG 2.03Å; C159-C172 PolarHBondContact SG-SG 3.46Å
173P90.8Very high90.8Very high38 Ų3872.4 Ų72.425%0.24738%0.379CS..PPolyproline II helixtrans-59.6149.6168.525.5-31.4000110W175 H181P173-W175 PolarHBondContact O-N 2.84Å; P173-H181 PolarHBondContact O-NE2 3.14Å
174A87.8Confident91.4Very high28 Ų2866.1 Ų66.123%0.23135%0.348CS..PPolyproline II helixtrans-58.8141.4170.800000110S176 T177A174-S176 PolarHBondContact O-N 3.23Å; A174-T177 WeakPolarHBondContact O-CB 3.44Å; A174-T177 PolarHBondContact O-N 2.95Å; A174-T177 PolarHBondContact O-OG1 3.49Å
175W82.1Confident91.9Very high163 Ų16361.2 Ų61.262%0.61732%0.322SS*.THydrogen-bonded Turntrans-59-23.7-178.364.8-95.3000113.5P173 T177 Y184P173-W175 PolarHBondContact O-N 2.84Å; W175-T177 VanDerWaalsContact C-N 3.34Å; W175-Y184 HydrophobicContact CE3-CD2 4.17Å; W175-Y184 HydrophobicContact CZ3-CD2 4.49Å
176S82.8Confident92.3Very high84 Ų8456.6 Ų56.659%0.58729%0.289SS*.THydrogen-bonded Turntrans-82.1-8.9177.357.30000114A174 C178A174-S176 PolarHBondContact O-N 3.23Å; S176-C178 VanDerWaalsContact C-N 3.31Å; S176-C178 PolarHBondContact O-N 2.9Å
177T87.8Confident92.4Very high95 Ų9554.7 Ų54.758%0.58328%0.276SS*.SBendtrans-66.2-35-177.2-59.80000111.8A174 W175A174-T177 WeakPolarHBondContact O-CB 3.44Å; A174-T177 PolarHBondContact O-N 2.95Å; A174-T177 PolarHBondContact O-OG1 3.49Å; W175-T177 VanDerWaalsContact C-N 3.34Å
178C89.7Confident92.5Very high25 Ų2557.5 Ų57.517%0.16929%0.289CS..  trans-146.9151.9-178.556.10000111.5C98 S176 T180C98-C178 WeakPolarHBondContact CA-SG 3.32Å; C98-C178 HydrophobicContact CB-CB 3.69Å; C98-C178 WeakPolarHBondContact CB-SG 3.39Å; C98-C178 WeakPolarHBondContact SG-CB 3.46Å; C98-C178 CovalentContact SG-SG 2.05Å; C98-C178 PolarHBondContact SG-SG 3.02Å; S176-C178 VanDerWaalsContact C-N 3.31Å; S176-C178 PolarHBondContact O-N 2.9Å; C178-T180 VanDerWaalsContact C-N 3.26Å; C178-T180 PolarHBondContact O-N 3.48Å
179R88.5Confident92.6Very high223 Ų22358 Ų5884%0.84229%0.287SS*.THydrogen-bonded Turntrans-72.3-22.1-177.9-67-174.8179.6-177.41.4113.5Y184R179-Y184 WeakPolarHBondContact O-CD1 3.42Å
180T93.3Very high92.8Very high44 Ų4453.7 Ų53.727%0.2727%0.269SS..THydrogen-bonded Turntrans-108.935.4-175.8400000110.7C98 V100 T101 C178C98-T180 CarbonylContact C-O 3.06Å; C98-T180 WeakPolarHBondContact O-CB 3.43Å; C98-T180 PolarHBondContact O-OG1 2.86Å; V100-T180 CarbonylContact C-O 3.55Å; V100-T180 PolarHBondContact N-O 3.3Å; V100-T180 CarbonylContact O-C 3.58Å; V100-T180 VanDerWaalsContact O-C 3.22Å; V100-T180 WeakPolarHBondContact O-CA 3.4Å; T101-T180 HydrophobicContact CG2-CG2 3.92Å; C178-T180 VanDerWaalsContact C-N 3.26Å; C178-T180 PolarHBondContact O-N 3.48Å
181H95.2Very high93Very high3 Ų346.9 Ų46.91%0.01423%0.233CC..  trans-72.5135.2172.6-176.5-77.6000109.8P173 V183 Y184 S185P173-H181 PolarHBondContact O-NE2 3.14Å; H181-V183 WeakPolarHBondContact ND1-CB 3.28Å; H181-V183 PolarHBondContact ND1-N 3.44Å; H181-V183 VanDerWaalsContact ND1-N 3.14Å; H181-V183 PolarHBondContact O-N 2.95Å; H181-Y184 PolarHBondContact O-N 2.92Å; H181-S185 PolarHBondContact O-N 2.92Å; H181-S185 PolarHBondContact O-OG 3.48Å
182P96.1Very high93.4Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-55.2-45.6-173.717.2-31.1000113.7V92 S97 V100 Y105 W158 C159 L186V92-P182 HydrophobicContact CG2-CB 4.48Å; S97-P182 WeakPolarHBondContact O-CD 3.23Å; V100-P182 HydrophobicContact CB-CB 3.92Å; V100-P182 HydrophobicContact CG1-CB 4.02Å; V100-P182 HydrophobicContact CG2-CB 3.92Å; V100-P182 HydrophobicContact CG2-CG 4.37Å; Y105-P182 WeakPolarHBondContact CE2-O 3.44Å; Y105-P182 VanDerWaalsContact OH-C 3.28Å; Y105-P182 WeakPolarHBondContact OH-CA 3.09Å; Y105-P182 WeakPolarHBondContact OH-CB 3.08Å; Y105-P182 PolarHBondContact OH-O 3.01Å; W158-P182 WeakPolarHBondContact O-CG 3.15Å; C159-P182 HydrophobicContact CB-CG 4.18Å; P182-L186 PolarHBondContact O-N 3.11Å; P182-L186 VanDerWaalsContact O-N 3.1Å
183V96Very high93.6Very high19 Ų1949.2 Ų49.212%0.11524%0.24CC..Hα-helixtrans-61.4-47.6175.6175.90000111.3W158 H181 S185 L186 W187W158-V183 HydrophobicContact CD2-CG2 3.66Å; W158-V183 HydrophobicContact CE3-CG2 3.95Å; W158-V183 HydrophobicContact CG-CG2 4.1Å; W158-V183 HydrophobicContact CH2-CB 4.47Å; W158-V183 HydrophobicContact CH2-CG1 4.27Å; W158-V183 HydrophobicContact CH2-CG2 4.2Å; W158-V183 HydrophobicContact CZ2-CB 4.19Å; W158-V183 HydrophobicContact CZ2-CG1 4.44Å; W158-V183 HydrophobicContact CZ2-CG2 3.94Å; W158-V183 HydrophobicContact CZ3-CG2 4.2Å; W158-V183 WeakPolarHBondContact O-CG2 3.13Å; H181-V183 WeakPolarHBondContact ND1-CB 3.28Å; H181-V183 PolarHBondContact ND1-N 3.44Å; H181-V183 VanDerWaalsContact ND1-N 3.14Å; H181-V183 PolarHBondContact O-N 2.95Å; V183-S185 PolarHBondContact O-N 3.23Å; V183-L186 PolarHBondContact O-N 3.25Å; V183-W187 PolarHBondContact O-N 3.23Å; V183-W187 VanDerWaalsContact O-N 3.08Å
184Y95.4Very high93.9Very high55 Ų5547.6 Ų47.622%0.21623%0.229CC..Hα-helixtrans-64.1-43.5-177.9179.6-96.1000111.4W175 R179 H181 W187 K188 M219W175-Y184 HydrophobicContact CE3-CD2 4.17Å; W175-Y184 HydrophobicContact CZ3-CD2 4.49Å; R179-Y184 WeakPolarHBondContact O-CD1 3.42Å; H181-Y184 PolarHBondContact O-N 2.92Å; Y184-W187 PolarHBondContact O-N 3.47Å; Y184-K188 HydrophobicContact CE1-CD 3.94Å; Y184-K188 VanDerWaalsContact O-CB 3.28Å; Y184-K188 WeakPolarHBondContact O-CB 3.37Å; Y184-K188 PolarHBondContact O-N 3.3Å; Y184-M219 HydrophobicContact CD2-CE 4.05Å; Y184-M219 HydrophobicContact CE2-CE 3.78Å
185S97.1Very high94.4Very high0 Ų046.2 Ų46.20%022%0.218CC..Hα-helixtrans-64.6-39.7179.5-60.60000112.5V100 H181 V183 K188 R189V100-S185 VanDerWaalsContact O-CB 3.28Å; V100-S185 WeakPolarHBondContact O-CB 3.43Å; V100-S185 PolarHBondContact O-OG 2.04Å; H181-S185 PolarHBondContact O-N 2.92Å; H181-S185 PolarHBondContact O-OG 3.48Å; V183-S185 PolarHBondContact O-N 3.23Å; S185-K188 PolarHBondContact O-N 3.45Å; S185-R189 PolarHBondContact O-N 3.05Å
186L97.9Very high95.1Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-62.4-50.4173.5-175.1148.1000110.8F88 Y105 M108 F109 V149 F153 W158 P182 V183 K188 R189 A190F88-L186 HydrophobicContact CD2-CD1 4.04Å; F88-L186 HydrophobicContact CE2-CD1 3.92Å; Y105-L186 HydrophobicContact CD1-CD1 4.22Å; Y105-L186 HydrophobicContact CD2-CB 4.18Å; Y105-L186 HydrophobicContact CE1-CB 4.38Å; Y105-L186 HydrophobicContact CE1-CD1 3.94Å; Y105-L186 HydrophobicContact CE2-CB 3.79Å; M108-L186 HydrophobicContact CE-CD1 3.83Å; M108-L186 HydrophobicContact CE-CG 4.38Å; M108-L186 HydrophobicContact SD-CD1 4.48Å; F109-L186 HydrophobicContact CZ-CG 4.4Å; V149-L186 HydrophobicContact CG2-CD2 4.14Å; F153-L186 HydrophobicContact CB-CD2 4.32Å; F153-L186 HydrophobicContact CD1-CD1 4.4Å; F153-L186 HydrophobicContact CD2-CD1 3.94Å; F153-L186 HydrophobicContact CD2-CD2 4.32Å; F153-L186 HydrophobicContact CE2-CD1 4.09Å; F153-L186 HydrophobicContact CG-CD1 4.11Å; F153-L186 HydrophobicContact CG-CD2 4.42Å; F153-L186 HydrophobicContact CZ-CD1 4.39Å; W158-L186 HydrophobicContact CH2-CD1 4.18Å; W158-L186 HydrophobicContact CH2-CD2 4.18Å; W158-L186 HydrophobicContact CZ2-CB 3.8Å; W158-L186 HydrophobicContact CZ2-CD1 3.62Å; W158-L186 HydrophobicContact CZ2-CD2 4.2Å; W158-L186 HydrophobicContact CZ2-CG 4.07Å; P182-L186 PolarHBondContact O-N 3.11Å; P182-L186 VanDerWaalsContact O-N 3.1Å; V183-L186 PolarHBondContact O-N 3.25Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 2.94Å; L186-R189 PolarHBondContact O-N 3.35Å; L186-A190 WeakPolarHBondContact O-CB 3.45Å; L186-A190 PolarHBondContact O-N 2.9Å
187W97.6Very high95.7Very high42 Ų4239.9 Ų39.916%0.15919%0.186CC..Hα-helixtrans-64.5-34.8-180-75.3114.4000112.2L144 V183 Y184 A190 S191 M219L144-W187 HydrophobicContact CD2-CE3 3.59Å; L144-W187 HydrophobicContact CD2-CZ3 3.68Å; L144-W187 HydrophobicContact CG-CE3 4.41Å; L144-W187 HydrophobicContact CG-CZ3 4.04Å; V183-W187 PolarHBondContact O-N 3.23Å; V183-W187 VanDerWaalsContact O-N 3.08Å; Y184-W187 PolarHBondContact O-N 3.47Å; W187-A190 HydrophobicContact CE3-CB 4.49Å; W187-A190 PolarHBondContact O-N 3.35Å; W187-S191 WeakPolarHBondContact O-CB 3.37Å; W187-S191 PolarHBondContact O-N 2.99Å; W187-S191 PolarHBondContact O-OG 3.46Å; W187-M219 HydrophobicContact CB-CE 3.97Å
188K97.7Very high96.1Very high65 Ų6535.4 Ų35.428%0.28316%0.158SC..Hα-helixtrans-62.3-48.5174.2179.6162.5175.1-141.80111.6E102 Y184 S185 L186 S191 Q192 M219 V223E102-K188 HydrophobicContact CG-CB 4.32Å; E102-K188 HydrophobicContact CG-CD 4.46Å; E102-K188 HydrophobicContact CG-CG 4.21Å; E102-K188 WeakPolarHBondContact OE1-CD 3.35Å; E102-K188 WeakPolarHBondContact OE1-CE 3.04Å; E102-K188 IonicContact OE1-NZ 3.32Å; E102-K188 PolarHBondContact OE1-NZ 3.48Å; Y184-K188 HydrophobicContact CE1-CD 3.94Å; Y184-K188 VanDerWaalsContact O-CB 3.28Å; Y184-K188 WeakPolarHBondContact O-CB 3.37Å; Y184-K188 PolarHBondContact O-N 3.3Å; S185-K188 PolarHBondContact O-N 3.45Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 2.94Å; K188-S191 PolarHBondContact O-N 2.82Å; K188-Q192 WeakPolarHBondContact O-CB 3.46Å; K188-Q192 PolarHBondContact O-N 2.86Å; K188-M219 HydrophobicContact CB-CE 4.27Å; K188-M219 HydrophobicContact CB-SD 4.14Å; K188-V223 HydrophobicContact CD-CG2 4.18Å; K188-V223 HydrophobicContact CG-CG1 4.22Å; K188-V223 HydrophobicContact CG-CG2 3.91Å; K188-V223 WeakPolarHBondContact O-CG1 3.28Å
189R97.9Very high96.4Very high46 Ų4634.5 Ų34.517%0.17415%0.153CC..Hα-helixtrans-63.4-42.7175.1-179.458.168.6-174.5-1112.1E102 E103 F109 S185 L186 Q192 N193E102-R189 HydrophobicContact CB-CB 4.17Å; E102-R189 HydrophobicContact CG-CB 4.28Å; E103-R189 IonicContact OE1-NH2 3.76Å; F109-R189 HydrophobicContact CD1-CG 4.23Å; F109-R189 HydrophobicContact CD2-CB 4.26Å; F109-R189 HydrophobicContact CD2-CG 3.43Å; F109-R189 VanDerWaalsContact CD2-CG 3.43Å; F109-R189 HydrophobicContact CE1-CG 4.09Å; F109-R189 HydrophobicContact CE2-CB 3.65Å; F109-R189 HydrophobicContact CE2-CG 3.31Å; F109-R189 HydrophobicContact CG-CG 3.91Å; F109-R189 HydrophobicContact CZ-CB 3.86Å; F109-R189 HydrophobicContact CZ-CG 3.66Å; S185-R189 PolarHBondContact O-N 3.05Å; L186-R189 PolarHBondContact O-N 3.35Å; R189-Q192 PolarHBondContact O-N 3.46Å; R189-N193 VanDerWaalsContact O-CG 3.29Å; R189-N193 PolarHBondContact O-N 3.42Å; R189-N193 PolarHBondContact O-OD1 3.48Å
190A98.1Very high96.8Very high2 Ų224.1 Ų24.12%0.01712%0.115CC..Hα-helixtrans-62.4-45.2178.600000111.7F109 L144 V149 L186 W187 N193 F194F109-A190 HydrophobicContact CE1-CB 4.03Å; F109-A190 HydrophobicContact CZ-CB 3.91Å; L144-A190 HydrophobicContact CD1-CB 4.04Å; L144-A190 WeakPolarHBondContact CD1-O 3.45Å; L144-A190 HydrophobicContact CD2-CB 4.26Å; V149-A190 HydrophobicContact CG1-CB 4Å; L186-A190 WeakPolarHBondContact O-CB 3.45Å; L186-A190 PolarHBondContact O-N 2.9Å; W187-A190 HydrophobicContact CE3-CB 4.49Å; W187-A190 PolarHBondContact O-N 3.35Å; A190-N193 PolarHBondContact O-N 3.32Å; A190-F194 WeakPolarHBondContact O-CB 3.17Å; A190-F194 PolarHBondContact O-N 3.24Å
191S98.4Very high96.9Very high2 Ų225.1 Ų25.11%0.01412%0.118CC..Hα-helixtrans-63.1-42.9178.2-58.70000111.7W187 K188 F194 A195 M219W187-S191 WeakPolarHBondContact O-CB 3.37Å; W187-S191 PolarHBondContact O-N 2.99Å; W187-S191 PolarHBondContact O-OG 3.46Å; K188-S191 PolarHBondContact O-N 2.82Å; S191-F194 PolarHBondContact O-N 3.12Å; S191-A195 WeakPolarHBondContact O-CB 3.47Å; S191-A195 PolarHBondContact O-N 3.28Å; S191-M219 WeakPolarHBondContact OG-CG 3.32Å
192Q98.2Very high97Very high47 Ų4725 Ų2522%0.2212%0.118CC..Hα-helixtrans-58.8-53.8173.6176.9172.62.200111K188 R189 F194 A195 E196 V223K188-Q192 WeakPolarHBondContact O-CB 3.46Å; K188-Q192 PolarHBondContact O-N 2.86Å; R189-Q192 PolarHBondContact O-N 3.46Å; Q192-F194 VanDerWaalsContact C-N 3.28Å; Q192-F194 PolarHBondContact O-N 2.88Å; Q192-A195 PolarHBondContact O-N 3.41Å; Q192-E196 HydrophobicContact CG-CG 4.29Å; Q192-E196 VanDerWaalsContact CG-OE1 3.28Å; Q192-E196 WeakPolarHBondContact CG-OE1 2.93Å; Q192-E196 PolarHBondContact NE2-OE1 3.39Å; Q192-E196 WeakPolarHBondContact O-CG 3.27Å; Q192-E196 PolarHBondContact O-N 3.04Å; Q192-V223 HydrophobicContact CB-CG1 3.87Å
193N97Very high97.1Very high53 Ų5325.3 Ų25.328%0.28312%0.12SC..Hα-helixtrans-59.7-39.1-179.1-69.71.6000112.1F109 R189 A190 M197F109-N193 VanDerWaalsContact CD1-ND2 3.28Å; F109-N193 WeakPolarHBondContact CD1-ND2 3.18Å; R189-N193 VanDerWaalsContact O-CG 3.29Å; R189-N193 PolarHBondContact O-N 3.42Å; R189-N193 PolarHBondContact O-OD1 3.48Å; A190-N193 PolarHBondContact O-N 3.32Å; N193-M197 VanDerWaalsContact O-CB 3.23Å; N193-M197 WeakPolarHBondContact O-CB 3.41Å; N193-M197 PolarHBondContact O-N 3.46Å
194F97.6Very high97.2Very high3 Ų324.4 Ų24.41%0.01311%0.114CC..Hα-helixtrans-65.6-41.7177.9-177.8-109.3000112.4F121 F123 W142 L144 T147 A190 S191 Q192 M197 A198F121-F194 HydrophobicContact CB-CZ 4.34Å; F121-F194 HydrophobicContact CD1-CD2 4.14Å; F121-F194 HydrophobicContact CD1-CE1 4.19Å; F121-F194 AromaticContact CD1-CE2 3.62Å; F121-F194 HydrophobicContact CD1-CE2 3.62Å; F121-F194 AromaticContact CD1-CZ 3.64Å; F121-F194 HydrophobicContact CD1-CZ 3.64Å; F121-F194 HydrophobicContact CE1-CD2 4.23Å; F121-F194 AromaticContact CE1-CE2 3.98Å; F121-F194 HydrophobicContact CE1-CE2 3.98Å; F121-F194 HydrophobicContact CE1-CZ 4.45Å; F121-F194 HydrophobicContact CG-CZ 4.43Å; F123-F194 HydrophobicContact CD1-CD1 4.03Å; F123-F194 AromaticContact CD1-CE1 3.9Å; F123-F194 HydrophobicContact CD1-CE1 3.9Å; F123-F194 AromaticContact CE1-CD1 3.42Å; F123-F194 HydrophobicContact CE1-CD1 3.42Å; F123-F194 VanDerWaalsContact CE1-CD1 3.42Å; F123-F194 AromaticContact CE1-CE1 3.58Å; F123-F194 HydrophobicContact CE1-CE1 3.58Å; F123-F194 HydrophobicContact CE2-CE1 4.34Å; F123-F194 HydrophobicContact CG-CE1 4.43Å; F123-F194 AromaticContact CZ-CD1 3.88Å; F123-F194 HydrophobicContact CZ-CD1 3.88Å; F123-F194 AromaticContact CZ-CE1 3.8Å; F123-F194 HydrophobicContact CZ-CE1 3.8Å; W142-F194 WeakPolarHBondContact O-CZ 3.28Å; L144-F194 HydrophobicContact CB-CD1 4.26Å; L144-F194 HydrophobicContact CB-CG 4.35Å; L144-F194 HydrophobicContact CD1-CB 3.45Å; L144-F194 VanDerWaalsContact CD1-CB 3.45Å; L144-F194 HydrophobicContact CD1-CD1 4.41Å; L144-F194 HydrophobicContact CD1-CD2 4.25Å; L144-F194 HydrophobicContact CD1-CG 3.82Å; T147-F194 HydrophobicContact CG2-CD2 3.72Å; T147-F194 HydrophobicContact CG2-CE2 4.1Å; A190-F194 WeakPolarHBondContact O-CB 3.17Å; A190-F194 PolarHBondContact O-N 3.24Å; S191-F194 PolarHBondContact O-N 3.12Å; Q192-F194 VanDerWaalsContact C-N 3.28Å; Q192-F194 PolarHBondContact O-N 2.88Å; F194-M197 HydrophobicContact CD2-CE 4.07Å; F194-M197 PolarHBondContact O-N 3.07Å; F194-A198 PolarHBondContact O-N 2.62Å
195A98Very high97.2Very high0 Ų021.9 Ų21.90%010%0.104CC..Hα-helixtrans-69.4-40.7175.500000113.4F123 S191 Q192 M197 A198 E224 L228F123-A195 HydrophobicContact CE1-CB 4.09Å; F123-A195 HydrophobicContact CZ-CB 4.32Å; S191-A195 WeakPolarHBondContact O-CB 3.47Å; S191-A195 PolarHBondContact O-N 3.28Å; Q192-A195 PolarHBondContact O-N 3.41Å; A195-M197 PolarHBondContact O-N 3.45Å; A195-A198 WeakPolarHBondContact O-CB 3.38Å; A195-A198 PolarHBondContact O-N 3.33Å; A195-E224 HydrophobicContact CB-CB 4.1Å; A195-E224 WeakPolarHBondContact CB-O 3.24Å; A195-L228 HydrophobicContact CB-CD2 4.09Å
196E96.7Very high97.3Very high85 Ų8521.9 Ų21.940%0.39710%0.104SC..Hα-helixtrans-63.6-32.2175.7-72.3176.1178.100112.1Q192 R232Q192-E196 HydrophobicContact CG-CG 4.29Å; Q192-E196 VanDerWaalsContact CG-OE1 3.28Å; Q192-E196 WeakPolarHBondContact CG-OE1 2.93Å; Q192-E196 PolarHBondContact NE2-OE1 3.39Å; Q192-E196 WeakPolarHBondContact O-CG 3.27Å; Q192-E196 PolarHBondContact O-N 3.04Å; E196-R232 PolarHBondContact O-NH1 2.95Å
197M95.1Very high97.1Very high29 Ų2922.7 Ų22.714%0.14311%0.109CC..Hα-helixtrans-75.1-26.1177.5-178.4168.755.300113.3W116 F121 N193 F194 A195 R232W116-M197 HydrophobicContact CB-SD 4.46Å; W116-M197 VanDerWaalsContact CD1-SD 3.53Å; W116-M197 HydrophobicContact CG-CE 4.2Å; W116-M197 HydrophobicContact CG-SD 4.38Å; F121-M197 HydrophobicContact CE1-CB 4.32Å; F121-M197 HydrophobicContact CE1-CE 4.01Å; F121-M197 HydrophobicContact CE1-CG 4.08Å; F121-M197 HydrophobicContact CZ-CG 3.96Å; N193-M197 VanDerWaalsContact O-CB 3.23Å; N193-M197 WeakPolarHBondContact O-CB 3.41Å; N193-M197 PolarHBondContact O-N 3.46Å; F194-M197 HydrophobicContact CD2-CE 4.07Å; F194-M197 PolarHBondContact O-N 3.07Å; A195-M197 PolarHBondContact O-N 3.45Å; M197-R232 PolarHBondContact O-NH2 2.8Å; M197-R232 VanDerWaalsContact O-NH2 3.11Å
198A97Very high97Very high0 Ų020.7 Ų20.70%010%0.101CC..  trans-59141.2-173.700000113.2F121 F123 F194 A195 V202 L228 V233F121-A198 HydrophobicContact CB-CB 4.24Å; F121-A198 HydrophobicContact CD1-CB 3.71Å; F121-A198 HydrophobicContact CD2-CB 4.18Å; F121-A198 HydrophobicContact CE1-CB 4.08Å; F121-A198 HydrophobicContact CG-CB 3.77Å; F121-A198 HydrophobicContact CZ-CB 4.49Å; F123-A198 HydrophobicContact CE2-CB 4.33Å; F123-A198 HydrophobicContact CZ-CB 4.06Å; F194-A198 PolarHBondContact O-N 2.62Å; A195-A198 WeakPolarHBondContact O-CB 3.38Å; A195-A198 PolarHBondContact O-N 3.33Å; A198-V202 HydrophobicContact CB-CG1 4.03Å; A198-L228 HydrophobicContact CB-CD2 4.07Å; A198-V233 HydrophobicContact CB-CG2 4.28Å
199C96.6Very high96.8Very high7 Ų718 Ų185%0.0479%0.091CC..  trans-154.2158.8-179.854.80000112.2C118 D119 R232C118-C199 WeakPolarHBondContact CA-O 3.32Å; C118-C199 WeakPolarHBondContact CA-SG 3.4Å; C118-C199 HydrophobicContact CB-CB 3.98Å; C118-C199 WeakPolarHBondContact CB-O 3.37Å; C118-C199 WeakPolarHBondContact CB-SG 3.32Å; C118-C199 WeakPolarHBondContact SG-CB 3.21Å; C118-C199 CovalentContact SG-SG 2.04Å; C118-C199 PolarHBondContact SG-SG 3.08Å; D119-C199 PolarHBondContact N-O 2.93Å; C199-R232 CarbonylContact C-O 3.23Å; C199-R232 VanDerWaalsContact CA-O 3.3Å; C199-R232 WeakPolarHBondContact CA-O 3.31Å; C199-R232 HydrophobicContact CB-CB 4.21Å
200G96.3Very high96.6Very high4 Ų418.2 Ų18.24%0.04110%0.095CC..EExtended strand (participates in β ladder)trans71.1-136.7-176.300000111.8D119 R232 V233 N234 Y235D119-G200 WeakPolarHBondContact OD1-CA 2.98Å; G200-R232 PolarHBondContact N-O 2.7Å; G200-V233 CarbonylContact O-C 3.56Å; G200-V233 WeakPolarHBondContact O-CA 3.42Å; G200-N234 PolarHBondContact O-N 3.41Å; G200-Y235 PolarHBondContact O-N 3.1Å
201N95.6Very high96.4Very high65 Ų6522.5 Ų22.535%0.34812%0.121SC..EExtended strand (participates in β ladder)trans-85.4121.1176.8-63.4-15.7000110.5D119 Y235D119-N201 CarbonylContact C-O 3.53Å; D119-N201 WeakPolarHBondContact CA-O 3.24Å; D119-N201 HydrophobicContact CB-CB 4.37Å; D119-N201 PolarHBondContact OD1-N 3.16Å; N201-Y235 WeakPolarHBondContact CA-O 2.98Å; N201-Y235 WeakPolarHBondContact OD1-CB 3.02Å
202V97.4Very high96.3Very high1 Ų126.6 Ų26.61%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-107.1153.9174.3-52.90000109.6F121 F123 A198 V233 Y235 V236 N237F121-V202 HydrophobicContact CB-CB 4.37Å; F121-V202 HydrophobicContact CB-CG1 4.02Å; F123-V202 HydrophobicContact CD2-CB 4.34Å; F123-V202 HydrophobicContact CE2-CB 4.02Å; F123-V202 HydrophobicContact CE2-CG1 4.25Å; F123-V202 HydrophobicContact CE2-CG2 4.49Å; A198-V202 HydrophobicContact CB-CG1 4.03Å; V202-V233 HydrophobicContact CG1-CG1 4Å; V202-V233 HydrophobicContact CG1-CG2 3.99Å; V202-V233 HydrophobicContact CG2-CG1 3.83Å; V202-Y235 PolarHBondContact N-O 2.58Å; V202-V236 HydrophobicContact CG2-CB 4.18Å; V202-V236 HydrophobicContact CG2-CG1 4.15Å; V202-V236 HydrophobicContact CG2-CG2 3.79Å; V202-N237 PolarHBondContact O-N 2.95Å; V202-N237 PolarHBondContact O-ND2 3.43Å
203T97.1Very high96.2Very high6 Ų624.4 Ų24.44%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-121139.9175.6-60.20000109.4F121 L122 F123 N237 K239F121-T203 PolarHBondContact O-N 3.1Å; L122-T203 CarbonylContact C-O 3.54Å; L122-T203 WeakPolarHBondContact CA-O 3.26Å; L122-T203 HydrophobicContact CD1-CG2 3.72Å; F123-T203 PolarHBondContact N-O 3.23Å; T203-N237 CarbonylContact C-O 3.55Å; T203-N237 WeakPolarHBondContact CA-O 3.03Å; T203-N237 HydrophobicContact CG2-CB 4.42Å; T203-K239 HydrophobicContact CG2-CD 3.85Å; T203-K239 HydrophobicContact CG2-CG 4.18Å
204V97.8Very high96.3Very high1 Ų121.9 Ų21.91%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-122.3130.2168.860.80000110.4F123 L206 F220 V236 N237 I238 K239F123-V204 HydrophobicContact CB-CB 4.14Å; F123-V204 HydrophobicContact CB-CG2 4.07Å; F123-V204 CarbonylContact O-C 3.24Å; F123-V204 VanDerWaalsContact O-CA 3.31Å; F123-V204 WeakPolarHBondContact O-CA 3.45Å; V204-L206 HydrophobicContact CG2-CD2 3.76Å; V204-L206 HydrophobicContact CG2-CG 4Å; V204-F220 HydrophobicContact CB-CE2 4.03Å; V204-F220 HydrophobicContact CB-CZ 3.94Å; V204-F220 HydrophobicContact CG1-CZ 4.1Å; V204-F220 HydrophobicContact CG2-CD1 4.3Å; V204-F220 HydrophobicContact CG2-CD2 4.04Å; V204-F220 HydrophobicContact CG2-CE1 3.87Å; V204-F220 HydrophobicContact CG2-CE2 3.59Å; V204-F220 HydrophobicContact CG2-CG 4.4Å; V204-F220 HydrophobicContact CG2-CZ 3.5Å; V204-V236 HydrophobicContact CG1-CG1 4.41Å; V204-N237 PolarHBondContact N-O 3.03Å; V204-I238 HydrophobicContact CG1-CB 4.19Å; V204-I238 HydrophobicContact CG1-CG1 3.93Å; V204-I238 HydrophobicContact CG1-CG2 4.2Å; V204-K239 PolarHBondContact O-N 3.46Å
205L97.1Very high96.3Very high1 Ų124.5 Ų24.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-104.8116.6177.4-170.864.9000111.4L122 F123 W124 S125 T127 L130 V131 K239 V241 L280L122-L205 HydrophobicContact CD1-CB 4.49Å; F123-L205 PolarHBondContact O-N 3.01Å; W124-L205 WeakPolarHBondContact CA-O 3.49Å; W124-L205 HydrophobicContact CB-CB 4.35Å; S125-L205 PolarHBondContact N-O 3.03Å; S125-L205 VanDerWaalsContact N-O 3.08Å; T127-L205 HydrophobicContact CG2-CG 4.23Å; T127-L205 PolarHBondContact OG1-O 3.38Å; L130-L205 HydrophobicContact CD2-CD2 4.15Å; L130-L205 HydrophobicContact CG-CD2 4.16Å; V131-L205 HydrophobicContact CB-CD2 4.06Å; V131-L205 HydrophobicContact CG2-CD2 4.18Å; L205-K239 WeakPolarHBondContact CA-O 3.48Å; L205-K239 HydrophobicContact CD1-CB 3.76Å; L205-V241 HydrophobicContact CD1-CB 4.33Å; L205-V241 HydrophobicContact CD1-CG1 3.57Å; L205-V241 HydrophobicContact CD1-CG2 3.81Å; L205-V241 HydrophobicContact CG-CG2 4.16Å; L205-L280 HydrophobicContact CD1-CD1 3.56Å; L205-L280 HydrophobicContact CD1-CD2 4.38Å; L205-L280 HydrophobicContact CD2-CD2 4.33Å
206L97.4Very high96.2Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-119.9148.6-176.2-58.3176.1000111.4V204 F214 F220 I238 K239 V241 I257 L260V204-L206 HydrophobicContact CG2-CD2 3.76Å; V204-L206 HydrophobicContact CG2-CG 4Å; L206-F214 HydrophobicContact CD1-CB 4.46Å; L206-F220 HydrophobicContact CD2-CD1 4.42Å; L206-I238 HydrophobicContact CD1-CG2 4.05Å; L206-K239 PolarHBondContact N-O 2.96Å; L206-V241 WeakPolarHBondContact O-CG2 3.01Å; L206-V241 PolarHBondContact O-N 3.45Å; L206-I257 HydrophobicContact CB-CD1 4.35Å; L206-I257 HydrophobicContact CD1-CD1 3.49Å; L206-I257 VanDerWaalsContact CD1-CD1 3.49Å; L206-L260 HydrophobicContact CD1-CD2 3.59Å
207N95.1Very high96.2Very high18 Ų1833.3 Ų33.310%0.09617%0.168CC..EExtended strand (participates in β ladder)trans-91.1107.2-179.8-171.8-17000111T127 S209 I210 A213 V241T127-N207 HydrophobicContact CG2-CB 3.7Å; N207-S209 VanDerWaalsContact C-N 3.33Å; N207-S209 WeakPolarHBondContact OD1-CA 3.17Å; N207-S209 WeakPolarHBondContact OD1-CB 3.47Å; N207-S209 PolarHBondContact OD1-N 3.34Å; N207-I210 HydrophobicContact CB-CD1 3.92Å; N207-I210 HydrophobicContact CB-CG1 3.94Å; N207-I210 WeakPolarHBondContact O-CG1 3.37Å; N207-A213 WeakPolarHBondContact O-CA 3.38Å; N207-A213 WeakPolarHBondContact O-CB 3.23Å; N207-V241 CarbonylContact C-O 3.6Å
208G94.8Very high96.2Very high0 Ų033 Ų330%017%0.168CC..THydrogen-bonded Turntrans-81.6-4.4175.400000114.6I210 V241 I249 E250G208-I210 PolarHBondContact O-N 3.32Å; G208-V241 PolarHBondContact N-O 3.47Å; G208-I249 WeakPolarHBondContact O-CA 3.22Å; G208-I249 PolarHBondContact O-N 2.88Å; G208-E250 WeakPolarHBondContact CA-O 3.2Å; G208-E250 PolarHBondContact O-N 3.41Å
209S93.3Very high96.2Very high8 Ų835.1 Ų35.16%0.05618%0.179CC..THydrogen-bonded Turntrans-86.810.8174.9-69.60000114.3N207 T242 N243 P247 I249N207-S209 VanDerWaalsContact C-N 3.33Å; N207-S209 WeakPolarHBondContact OD1-CA 3.17Å; N207-S209 WeakPolarHBondContact OD1-CB 3.47Å; N207-S209 PolarHBondContact OD1-N 3.34Å; S209-T242 WeakPolarHBondContact OG-CA 3.06Å; S209-N243 PolarHBondContact OG-N 3.44Å; S209-P247 WeakPolarHBondContact CA-O 3.42Å; S209-P247 WeakPolarHBondContact CB-O 3.18Å; S209-P247 PolarHBondContact OG-O 2.79Å; S209-I249 WeakPolarHBondContact O-CD1 3.19Å
210I93.9Very high96.3Very high51 Ų5135.2 Ų35.226%0.26218%0.178SC..SBendtrans-133.8159.1178.858.7169000109.9K126 N207 G208K126-I210 HydrophobicContact CB-CD1 4.1Å; K126-I210 HydrophobicContact CD-CD1 3.22Å; K126-I210 HydrophobicContact CG-CD1 4.32Å; N207-I210 HydrophobicContact CB-CD1 3.92Å; N207-I210 HydrophobicContact CB-CG1 3.94Å; N207-I210 WeakPolarHBondContact O-CG1 3.37Å; G208-I210 PolarHBondContact O-N 3.32Å
211T94.5Very high96.4Very high91 Ų9135 Ų3556%0.55818%0.176SC*.SBendtrans-73.9151166.455.40000110.5I249T211-I249 HydrophobicContact CG2-CG2 3.73Å
212N96.1Very high96.4Very high88 Ų8833.9 Ų33.947%0.47117%0.174SC..  trans54.454.3-175.5-54-60.9000111.2K126 F214 E250K126-N212 PolarHBondContact NZ-O 2.99Å; N212-F214 CarbonylContact C-O 3.58Å; N212-F214 WeakPolarHBondContact CA-O 3.3Å; N212-F214 CarbonylContact O-C 3.58Å; N212-F214 PolarHBondContact O-N 3.02Å; N212-E250 PolarHBondContact N-OE1 3.48Å
213A96.3Very high96.5Very high1 Ų134.2 Ų34.21%0.00818%0.176CC..SBendtrans-54.3-44.1173.900000110.3N207 E250 S256 I257N207-A213 WeakPolarHBondContact O-CA 3.38Å; N207-A213 WeakPolarHBondContact O-CB 3.23Å; A213-E250 HydrophobicContact CB-CB 4.11Å; A213-E250 VanDerWaalsContact CB-OE2 3.27Å; A213-E250 WeakPolarHBondContact CB-OE2 3.23Å; A213-E250 PolarHBondContact N-OE2 2.83Å; A213-E250 VanDerWaalsContact N-OE2 3.16Å; A213-S256 PolarHBondContact N-OG 2.89Å; A213-S256 VanDerWaalsContact N-OG 3.13Å; A213-I257 HydrophobicContact CB-CD1 3.71Å; A213-I257 HydrophobicContact CB-CG1 4.26Å
214F98.2Very high96.6Very high1 Ų134.6 Ų34.60%0.00418%0.177CC..SBendtrans-93.2140.3158.2173.4-110.2000110.2L206 N212 R216 F220 L225 S256 I257 E259 L260 I263L206-F214 HydrophobicContact CD1-CB 4.46Å; N212-F214 CarbonylContact C-O 3.58Å; N212-F214 WeakPolarHBondContact CA-O 3.3Å; N212-F214 CarbonylContact O-C 3.58Å; N212-F214 PolarHBondContact O-N 3.02Å; F214-R216 HydrophobicContact CE1-CB 4.3Å; F214-R216 HydrophobicContact CZ-CB 4.36Å; F214-F220 HydrophobicContact CD2-CD1 4.04Å; F214-F220 AromaticContact CD2-CE1 3.97Å; F214-F220 HydrophobicContact CD2-CE1 3.97Å; F214-F220 HydrophobicContact CE2-CD1 4.12Å; F214-F220 HydrophobicContact CE2-CE1 4.04Å; F214-L225 HydrophobicContact CE2-CD2 3.88Å; F214-L225 HydrophobicContact CZ-CD2 3.94Å; F214-S256 WeakPolarHBondContact CA-OG 3.4Å; F214-S256 WeakPolarHBondContact CD1-O 3.34Å; F214-S256 PolarHBondContact N-OG 3.18Å; F214-S256 WeakPolarHBondContact O-CB 3.48Å; F214-S256 PolarHBondContact O-OG 2.79Å; F214-I257 HydrophobicContact CB-CD1 4.28Å; F214-E259 HydrophobicContact CD1-CB 4.38Å; F214-E259 HydrophobicContact CE1-CB 4.47Å; F214-E259 HydrophobicContact CE1-CG 4.2Å; F214-L260 HydrophobicContact CB-CB 4.16Å; F214-L260 HydrophobicContact CD1-CB 3.88Å; F214-L260 HydrophobicContact CD2-CB 4Å; F214-L260 HydrophobicContact CD2-CD1 4Å; F214-L260 HydrophobicContact CD2-CD2 4.18Å; F214-L260 HydrophobicContact CD2-CG 4.29Å; F214-L260 HydrophobicContact CE1-CB 4.23Å; F214-L260 HydrophobicContact CE2-CB 4.35Å; F214-L260 HydrophobicContact CE2-CD1 3.81Å; F214-L260 HydrophobicContact CG-CB 3.74Å; F214-L260 HydrophobicContact CG-CD2 4.47Å; F214-L260 HydrophobicContact CG-CG 4.5Å; F214-L260 HydrophobicContact CZ-CB 4.45Å; F214-L260 HydrophobicContact CZ-CD1 4.25Å; F214-I263 HydrophobicContact CE1-CD1 3.76Å; F214-I263 HydrophobicContact CZ-CD1 3.73Å
215N97.4Very high96.6Very high58 Ų5834.6 Ų34.631%0.3118%0.177SC..  trans-138.2117.5171.8178.7-13.2000108.5K217 S218N215-K217 PolarHBondContact O-N 2.97Å; N215-K217 VanDerWaalsContact O-N 3.08Å; N215-K217 WeakPolarHBondContact OD1-CB 3.42Å; N215-K217 PolarHBondContact OD1-N 3.07Å; N215-S218 WeakPolarHBondContact O-CB 3.41Å; N215-S218 PolarHBondContact O-N 2.92Å; N215-S218 PolarHBondContact O-OG 3.21Å
216R97.3Very high96.6Very high87 Ų8737.8 Ų37.833%0.32819%0.194SC..THydrogen-bonded Turntrans-56.4-25.9179.5-174.457.8177.4164.10.7113.6F214 G221 S222 D226F214-R216 HydrophobicContact CE1-CB 4.3Å; F214-R216 HydrophobicContact CZ-CB 4.36Å; R216-G221 PolarHBondContact NH1-O 2.85Å; R216-G221 CarbonylContact O-C 3.6Å; R216-G221 VanDerWaalsContact O-C 3.24Å; R216-S222 WeakPolarHBondContact O-CA 3.21Å; R216-S222 VanDerWaalsContact O-CB 3.3Å; R216-S222 WeakPolarHBondContact O-CB 3.3Å; R216-S222 PolarHBondContact O-N 2.9Å; R216-D226 IonicContact CZ-OD1 3.21Å; R216-D226 IonicContact CZ-OD2 3.44Å; R216-D226 IonicContact NH1-OD1 2.71Å; R216-D226 PolarHBondContact NH1-OD1 2.97Å; R216-D226 IonicContact NH1-OD2 3.51Å; R216-D226 VanDerWaalsContact NH2-CG 3.26Å; R216-D226 IonicContact NH2-OD1 2.81Å; R216-D226 PolarHBondContact NH2-OD1 3.15Å; R216-D226 IonicContact NH2-OD2 2.89Å; R216-D226 PolarHBondContact NH2-OD2 3.46Å
217K95.5Very high96.6Very high183 Ų18339 Ų3980%0.79620%0.203SC*.THydrogen-bonded Turntrans-90.7-2.5178.3-58.8-179.3-179176.40114.3N215N215-K217 PolarHBondContact O-N 2.97Å; N215-K217 VanDerWaalsContact O-N 3.08Å; N215-K217 WeakPolarHBondContact OD1-CB 3.42Å; N215-K217 PolarHBondContact OD1-N 3.07Å
218S95.9Very high96.8Very high21 Ų2138.5 Ų38.515%0.14720%0.2CC..SBendtrans-74167.7175.766.50000111.8N215 F220 G221 S222N215-S218 WeakPolarHBondContact O-CB 3.41Å; N215-S218 PolarHBondContact O-N 2.92Å; N215-S218 PolarHBondContact O-OG 3.21Å; S218-F220 VanDerWaalsContact C-N 3.31Å; S218-F220 PolarHBondContact O-N 3.48Å; S218-G221 PolarHBondContact O-N 2.88Å; S218-G221 VanDerWaalsContact O-N 3.16Å; S218-G221 PolarHBondContact OG-N 3.01Å; S218-G221 VanDerWaalsContact OG-N 3.08Å; S218-S222 WeakPolarHBondContact O-CB 3.43Å; S218-S222 PolarHBondContact O-N 3.14Å; S218-S222 PolarHBondContact O-OG 3.45Å
219M96.9Very high96.8Very high46 Ų4641.5 Ų41.523%0.22722%0.216CC..Hα-helixtrans-55.3-48.3174.2-16566.375.300111Y184 W187 K188 S191 G221 V223 E224Y184-M219 HydrophobicContact CD2-CE 4.05Å; Y184-M219 HydrophobicContact CE2-CE 3.78Å; W187-M219 HydrophobicContact CB-CE 3.97Å; K188-M219 HydrophobicContact CB-CE 4.27Å; K188-M219 HydrophobicContact CB-SD 4.14Å; S191-M219 WeakPolarHBondContact OG-CG 3.32Å; M219-G221 PolarHBondContact O-N 2.98Å; M219-V223 WeakPolarHBondContact O-CA 3.35Å; M219-V223 VanDerWaalsContact O-CB 3.31Å; M219-V223 WeakPolarHBondContact O-CB 3.36Å; M219-V223 PolarHBondContact O-N 3.48Å; M219-V223 HydrophobicContact SD-CB 4.06Å; M219-V223 HydrophobicContact SD-CG1 4.46Å; M219-V223 HydrophobicContact SD-CG2 3.76Å; M219-E224 PolarHBondContact O-N 3.04Å; M219-E224 VanDerWaalsContact O-N 3.08Å
220F98.3Very high96.9Very high8 Ų843.8 Ų43.84%0.03523%0.231CC..Iπ-helixtrans-57.5-50.2173.6175.3-107.6000112.1F123 V204 L206 F214 S218 E224 L225 L260F123-F220 HydrophobicContact CB-CD2 3.92Å; F123-F220 HydrophobicContact CB-CE2 3.91Å; F123-F220 HydrophobicContact CD1-CD2 4.43Å; F123-F220 HydrophobicContact CG-CD2 4.4Å; F123-F220 HydrophobicContact CG-CE2 4.28Å; V204-F220 HydrophobicContact CB-CE2 4.03Å; V204-F220 HydrophobicContact CB-CZ 3.94Å; V204-F220 HydrophobicContact CG1-CZ 4.1Å; V204-F220 HydrophobicContact CG2-CD1 4.3Å; V204-F220 HydrophobicContact CG2-CD2 4.04Å; V204-F220 HydrophobicContact CG2-CE1 3.87Å; V204-F220 HydrophobicContact CG2-CE2 3.59Å; V204-F220 HydrophobicContact CG2-CG 4.4Å; V204-F220 HydrophobicContact CG2-CZ 3.5Å; L206-F220 HydrophobicContact CD2-CD1 4.42Å; F214-F220 HydrophobicContact CD2-CD1 4.04Å; F214-F220 AromaticContact CD2-CE1 3.97Å; F214-F220 HydrophobicContact CD2-CE1 3.97Å; F214-F220 HydrophobicContact CE2-CD1 4.12Å; F214-F220 HydrophobicContact CE2-CE1 4.04Å; S218-F220 VanDerWaalsContact C-N 3.31Å; S218-F220 PolarHBondContact O-N 3.48Å; F220-E224 VanDerWaalsContact CA-OE2 3.23Å; F220-E224 WeakPolarHBondContact CA-OE2 3.32Å; F220-E224 WeakPolarHBondContact CB-OE2 3.2Å; F220-E224 HydrophobicContact CD2-CB 4.2Å; F220-E224 VanDerWaalsContact CD2-OE2 3.3Å; F220-E224 WeakPolarHBondContact CD2-OE2 3.43Å; F220-L225 WeakPolarHBondContact O-CB 3.4Å; F220-L225 PolarHBondContact O-N 3.39Å; F220-L260 HydrophobicContact CE1-CD1 4.01Å; F220-L260 HydrophobicContact CE1-CD2 4.16Å; F220-L260 HydrophobicContact CZ-CD1 4.34Å
221G98Very high97Very high0 Ų049.2 Ų49.20%026%0.255CS..Iπ-helixtrans-72.3-35-172.600000115.4R216 S218 M219R216-G221 PolarHBondContact NH1-O 2.85Å; R216-G221 CarbonylContact O-C 3.6Å; R216-G221 VanDerWaalsContact O-C 3.24Å; S218-G221 PolarHBondContact O-N 2.88Å; S218-G221 VanDerWaalsContact O-N 3.16Å; S218-G221 PolarHBondContact OG-N 3.01Å; S218-G221 VanDerWaalsContact OG-N 3.08Å; M219-G221 PolarHBondContact O-N 2.98Å
222S97.1Very high97.1Very high42 Ų4249.9 Ų49.929%0.29425%0.247SC..Iπ-helixtrans-104.8-17.7-17261.70000114.6R216 S218R216-S222 WeakPolarHBondContact O-CA 3.21Å; R216-S222 VanDerWaalsContact O-CB 3.3Å; R216-S222 WeakPolarHBondContact O-CB 3.3Å; R216-S222 PolarHBondContact O-N 2.9Å; S218-S222 WeakPolarHBondContact O-CB 3.43Å; S218-S222 PolarHBondContact O-N 3.14Å; S218-S222 PolarHBondContact O-OG 3.45Å
223V98.3Very high97.2Very high8 Ų845.9 Ų45.95%0.04823%0.226CC..Iπ-helixtrans-119.9-63.2-176.4-176.20000109.6K188 Q192 M219 D226 S227K188-V223 HydrophobicContact CD-CG2 4.18Å; K188-V223 HydrophobicContact CG-CG1 4.22Å; K188-V223 HydrophobicContact CG-CG2 3.91Å; K188-V223 WeakPolarHBondContact O-CG1 3.28Å; Q192-V223 HydrophobicContact CB-CG1 3.87Å; M219-V223 WeakPolarHBondContact O-CA 3.35Å; M219-V223 VanDerWaalsContact O-CB 3.31Å; M219-V223 WeakPolarHBondContact O-CB 3.36Å; M219-V223 PolarHBondContact O-N 3.48Å; M219-V223 HydrophobicContact SD-CB 4.06Å; M219-V223 HydrophobicContact SD-CG1 4.46Å; M219-V223 HydrophobicContact SD-CG2 3.76Å; V223-D226 PolarHBondContact O-N 3.14Å; V223-S227 VanDerWaalsContact O-CB 3.26Å; V223-S227 WeakPolarHBondContact O-CB 3.47Å; V223-S227 PolarHBondContact O-N 3.06Å; V223-S227 PolarHBondContact O-OG 2.05Å
224E98.7Very high97Very high14 Ų1450.6 Ų50.67%0.06525%0.251CS..Iπ-helixtrans-65.9-53.3-172-58.2173.7159.800111F123 A195 M219 F220 D226 S227 L228F123-E224 HydrophobicContact CD1-CB 3.99Å; F123-E224 HydrophobicContact CD1-CG 4.24Å; F123-E224 WeakPolarHBondContact CD1-OE2 3.4Å; F123-E224 HydrophobicContact CE1-CB 3.98Å; F123-E224 HydrophobicContact CE1-CG 4.32Å; A195-E224 HydrophobicContact CB-CB 4.1Å; A195-E224 WeakPolarHBondContact CB-O 3.24Å; M219-E224 PolarHBondContact O-N 3.04Å; M219-E224 VanDerWaalsContact O-N 3.08Å; F220-E224 VanDerWaalsContact CA-OE2 3.23Å; F220-E224 WeakPolarHBondContact CA-OE2 3.32Å; F220-E224 WeakPolarHBondContact CB-OE2 3.2Å; F220-E224 HydrophobicContact CD2-CB 4.2Å; F220-E224 VanDerWaalsContact CD2-OE2 3.3Å; F220-E224 WeakPolarHBondContact CD2-OE2 3.43Å; E224-D226 VanDerWaalsContact C-N 3.31Å; E224-D226 PolarHBondContact O-N 3.24Å; E224-S227 PolarHBondContact O-N 3.25Å; E224-L228 WeakPolarHBondContact O-CG 3.12Å; E224-L228 PolarHBondContact O-N 3.09Å; E224-L228 VanDerWaalsContact O-N 3.1Å
225L98.2Very high96.9Very high0 Ų053.8 Ų53.80%026%0.263CS..Hα-helixtrans-55.5-48.9179.4-179.457.6000110.3F214 F220 S227 L228 L260 I263 L264 R267F214-L225 HydrophobicContact CE2-CD2 3.88Å; F214-L225 HydrophobicContact CZ-CD2 3.94Å; F220-L225 WeakPolarHBondContact O-CB 3.4Å; F220-L225 PolarHBondContact O-N 3.39Å; L225-S227 PolarHBondContact O-N 2.98Å; L225-L228 HydrophobicContact CD1-CD1 4.19Å; L225-L228 WeakPolarHBondContact O-CB 3.45Å; L225-L228 PolarHBondContact O-N 3.39Å; L225-L260 HydrophobicContact CD1-CD1 4.31Å; L225-L260 HydrophobicContact CD2-CD1 3.68Å; L225-I263 HydrophobicContact CD2-CB 4.49Å; L225-I263 HydrophobicContact CD2-CD1 4.49Å; L225-I263 HydrophobicContact CD2-CG2 3.8Å; L225-I263 HydrophobicContact CG-CG2 4.31Å; L225-L264 HydrophobicContact CD1-CD2 3.66Å; L225-R267 PolarHBondContact O-NH1 3.25Å; L225-R267 PolarHBondContact O-NH2 3.4Å
226D97.3Very high96.9Very high69 Ų6951.2 Ų51.237%0.36925%0.249SC..Hα-helixtrans-64.6-27.7-179.4-75.5-8.1000113.5R216 V223 E224 R267R216-D226 IonicContact CZ-OD1 3.21Å; R216-D226 IonicContact CZ-OD2 3.44Å; R216-D226 IonicContact NH1-OD1 2.71Å; R216-D226 PolarHBondContact NH1-OD1 2.97Å; R216-D226 IonicContact NH1-OD2 3.51Å; R216-D226 VanDerWaalsContact NH2-CG 3.26Å; R216-D226 IonicContact NH2-OD1 2.81Å; R216-D226 PolarHBondContact NH2-OD1 3.15Å; R216-D226 IonicContact NH2-OD2 2.89Å; R216-D226 PolarHBondContact NH2-OD2 3.46Å; V223-D226 PolarHBondContact O-N 3.14Å; E224-D226 VanDerWaalsContact C-N 3.31Å; E224-D226 PolarHBondContact O-N 3.24Å; D226-R267 PolarHBondContact O-NH2 2.02Å; D226-R267 VanDerWaalsContact O-NH2 3.14Å; D226-R267 IonicContact OD1-NH1 3.46Å; D226-R267 PolarHBondContact OD1-NH1 3.47Å
227S98.3Very high96.9Very high26 Ų2648.9 Ų48.918%0.18224%0.244CC..Hα-helixtrans-87.2-9.8178.9-53.80000113.8V223 E224 L225 N229V223-S227 VanDerWaalsContact O-CB 3.26Å; V223-S227 WeakPolarHBondContact O-CB 3.47Å; V223-S227 PolarHBondContact O-N 3.06Å; V223-S227 PolarHBondContact O-OG 2.05Å; E224-S227 PolarHBondContact O-N 3.25Å; L225-S227 PolarHBondContact O-N 2.98Å; S227-N229 PolarHBondContact O-N 3.13Å
228L98.1Very high97Very high7 Ų740.2 Ų40.24%0.03721%0.206CC..  trans-62.9132.7174.4-67.4-179.5000111.4F123 A195 A198 E224 L225 V233 R267 F269F123-L228 HydrophobicContact CE2-CD2 4.14Å; F123-L228 HydrophobicContact CZ-CD2 3.82Å; A195-L228 HydrophobicContact CB-CD2 4.09Å; A198-L228 HydrophobicContact CB-CD2 4.07Å; E224-L228 WeakPolarHBondContact O-CG 3.12Å; E224-L228 PolarHBondContact O-N 3.09Å; E224-L228 VanDerWaalsContact O-N 3.1Å; L225-L228 HydrophobicContact CD1-CD1 4.19Å; L225-L228 WeakPolarHBondContact O-CB 3.45Å; L225-L228 PolarHBondContact O-N 3.39Å; L228-V233 HydrophobicContact CD2-CG2 4.33Å; L228-R267 PolarHBondContact O-NH2 2.82Å; L228-F269 HydrophobicContact CB-CE1 4.15Å; L228-F269 HydrophobicContact CB-CZ 3.68Å
229N96.5Very high97.1Very high63 Ų6340.7 Ų40.734%0.33721%0.205SC..  trans-96.8114178.6-175-21000111.3S227 Q231 R232 V233S227-N229 PolarHBondContact O-N 3.13Å; N229-Q231 PolarHBondContact O-N 2.97Å; N229-Q231 VanDerWaalsContact O-N 3.15Å; N229-Q231 WeakPolarHBondContact OD1-CB 3.49Å; N229-Q231 PolarHBondContact OD1-N 2.9Å; N229-R232 HydrophobicContact CB-CB 4.3Å; N229-R232 HydrophobicContact CB-CG 4.33Å; N229-R232 PolarHBondContact O-N 3.01Å; N229-V233 PolarHBondContact O-N 2.7Å
230P95.1Very high97Very high56 Ų5638.6 Ų38.636%0.36420%0.195SC..THydrogen-bonded Turntrans-66.8-13.9-178.928.2-35.2000114.4F269P230-F269 HydrophobicContact CB-CD1 4.16Å; P230-F269 HydrophobicContact CB-CE1 3.74Å; P230-F269 HydrophobicContact CB-CE2 4.47Å; P230-F269 HydrophobicContact CB-CZ 3.91Å; P230-F269 HydrophobicContact CG-CZ 4.43Å
231Q95.9Very high96.8Very high165 Ų16538.5 Ų38.577%0.77120%0.195SC*.THydrogen-bonded Turntrans-83.6-18.7173.6-57.9-58.8-40.600112.8N229N229-Q231 PolarHBondContact O-N 2.97Å; N229-Q231 VanDerWaalsContact O-N 3.15Å; N229-Q231 WeakPolarHBondContact OD1-CB 3.49Å; N229-Q231 PolarHBondContact OD1-N 2.9Å
232R96.6Very high96.4Very high105 Ų10539.8 Ų39.840%0.39620%0.203SC..THydrogen-bonded Turntrans-106.8-33.9-179.2-63.7-173.967.5-159-4.9112.4E196 M197 C199 G200 N229E196-R232 PolarHBondContact O-NH1 2.95Å; M197-R232 PolarHBondContact O-NH2 2.8Å; M197-R232 VanDerWaalsContact O-NH2 3.11Å; C199-R232 CarbonylContact C-O 3.23Å; C199-R232 VanDerWaalsContact CA-O 3.3Å; C199-R232 WeakPolarHBondContact CA-O 3.31Å; C199-R232 HydrophobicContact CB-CB 4.21Å; G200-R232 PolarHBondContact N-O 2.7Å; N229-R232 HydrophobicContact CB-CB 4.3Å; N229-R232 HydrophobicContact CB-CG 4.33Å; N229-R232 PolarHBondContact O-N 3.01Å
233V97.6Very high95.7Very high3 Ų341.2 Ų41.22%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-92.2112.4178.5173.70000109A198 G200 V202 L228 N229 V236 F269A198-V233 HydrophobicContact CB-CG2 4.28Å; G200-V233 CarbonylContact O-C 3.56Å; G200-V233 WeakPolarHBondContact O-CA 3.42Å; V202-V233 HydrophobicContact CG1-CG1 4Å; V202-V233 HydrophobicContact CG1-CG2 3.99Å; V202-V233 HydrophobicContact CG2-CG1 3.83Å; L228-V233 HydrophobicContact CD2-CG2 4.33Å; N229-V233 PolarHBondContact O-N 2.7Å; V233-V236 HydrophobicContact CG1-CG2 4.02Å; V233-F269 HydrophobicContact CB-CD1 4.32Å; V233-F269 HydrophobicContact CB-CE1 3.99Å; V233-F269 HydrophobicContact CG1-CD1 4.11Å; V233-F269 HydrophobicContact CG1-CE1 4.17Å
234N91.1Very high94.8Very high100 Ų10042.4 Ų42.454%0.53522%0.215SC..EExtended strand (participates in β ladder)trans-77.5-36-178.6-65.5-23.8000111.7G200G200-N234 PolarHBondContact O-N 3.41Å
235Y96.4Very high93.9Very high69 Ų6948.8 Ų48.827%0.27125%0.245SC..EExtended strand (participates in β ladder)trans-155.9138.7-167.9-143.5-85.7000112.4G200 N201 V202 R270 W271 T272G200-Y235 PolarHBondContact O-N 3.1Å; N201-Y235 WeakPolarHBondContact CA-O 2.98Å; N201-Y235 WeakPolarHBondContact OD1-CB 3.02Å; V202-Y235 PolarHBondContact N-O 2.58Å; Y235-R270 CarbonylContact C-O 3.36Å; Y235-R270 WeakPolarHBondContact CA-O 3.37Å; Y235-R270 HydrophobicContact CD2-CB 3.38Å; Y235-R270 HydrophobicContact CD2-CG 4.42Å; Y235-R270 HydrophobicContact CE2-CB 3.47Å; Y235-R270 VanDerWaalsContact CE2-CB 3.47Å; Y235-R270 HydrophobicContact CE2-CG 4.49Å; Y235-R270 HydrophobicContact CG-CB 4.18Å; Y235-W271 PolarHBondContact OH-O 2.89Å; Y235-W271 VanDerWaalsContact OH-O 3.11Å; Y235-T272 HydrophobicContact CE1-CG2 3.48Å; Y235-T272 VanDerWaalsContact CE1-CG2 3.48Å; Y235-T272 VanDerWaalsContact CE1-N 3.34Å; Y235-T272 WeakPolarHBondContact OH-CG2 3.3Å
236V98.3Very high92.9Very high3 Ų349.7 Ų49.72%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-113.2111.1176.5-176.30000110V202 V204 V233 I238 L264 F269 R270 W271 T272V202-V236 HydrophobicContact CG2-CB 4.18Å; V202-V236 HydrophobicContact CG2-CG1 4.15Å; V202-V236 HydrophobicContact CG2-CG2 3.79Å; V204-V236 HydrophobicContact CG1-CG1 4.41Å; V233-V236 HydrophobicContact CG1-CG2 4.02Å; V236-I238 HydrophobicContact CG1-CG1 4.36Å; V236-L264 HydrophobicContact CB-CD1 4.17Å; V236-L264 HydrophobicContact CB-CD2 4.33Å; V236-L264 HydrophobicContact CG1-CD1 3.88Å; V236-L264 HydrophobicContact CG1-CD2 4.24Å; V236-L264 HydrophobicContact CG2-CD2 3.96Å; V236-F269 HydrophobicContact CG2-CB 4.19Å; V236-F269 HydrophobicContact CG2-CD1 4.23Å; V236-F269 HydrophobicContact CG2-CG 4.29Å; V236-R270 PolarHBondContact N-O 3.33Å; V236-W271 HydrophobicContact CB-CB 4.38Å; V236-W271 WeakPolarHBondContact O-CA 3.43Å; V236-W271 WeakPolarHBondContact O-CB 3.23Å; V236-T272 PolarHBondContact O-N 2.86Å
237N97.3Very high92.5Very high39 Ų3950.2 Ų50.221%0.20926%0.261CS..EExtended strand (participates in β ladder)trans-90.5107.7176.7-58.6-72.1000110V202 T203 V204 T272V202-N237 PolarHBondContact O-N 2.95Å; V202-N237 PolarHBondContact O-ND2 3.43Å; T203-N237 CarbonylContact C-O 3.55Å; T203-N237 WeakPolarHBondContact CA-O 3.03Å; T203-N237 HydrophobicContact CG2-CB 4.42Å; V204-N237 PolarHBondContact N-O 3.03Å; N237-T272 PolarHBondContact OD1-OG1 2.93Å
238I98.3Very high92.1Very high0 Ų055.7 Ų55.70%028%0.284CS..EExtended strand (participates in β ladder)trans-89.3121.5176.6-52.8162000108.6V204 L206 V236 V240 L260 I261 L264 T272 C273 T274V204-I238 HydrophobicContact CG1-CB 4.19Å; V204-I238 HydrophobicContact CG1-CG1 3.93Å; V204-I238 HydrophobicContact CG1-CG2 4.2Å; L206-I238 HydrophobicContact CD1-CG2 4.05Å; V236-I238 HydrophobicContact CG1-CG1 4.36Å; I238-V240 HydrophobicContact CG2-CG2 3.97Å; I238-L260 HydrophobicContact CD1-CD2 4.11Å; I238-L260 HydrophobicContact CD1-CG 4.32Å; I238-L260 HydrophobicContact CG1-CD2 4.3Å; I238-L260 HydrophobicContact CG2-CD2 4.37Å; I238-I261 HydrophobicContact CD1-CG1 3.88Å; I238-L264 HydrophobicContact CD1-CD1 3.77Å; I238-L264 HydrophobicContact CG1-CD1 4.27Å; I238-T272 WeakPolarHBondContact CB-O 3.48Å; I238-T272 WeakPolarHBondContact CG1-O 3.49Å; I238-T272 PolarHBondContact N-O 2.88Å; I238-C273 HydrophobicContact CB-CB 4.05Å; I238-C273 HydrophobicContact CD1-CB 4.31Å; I238-C273 CarbonylContact O-C 3.13Å; I238-C273 VanDerWaalsContact O-CA 3.31Å; I238-C273 WeakPolarHBondContact O-CA 3.31Å; I238-T274 PolarHBondContact O-N 2.9Å
239K96.8Very high91.9Very high31 Ų3158.1 Ų58.114%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-112.1110.8172-63.4-178.7-172.4-75.30108.2T203 V204 L205 L206 D277 L280T203-K239 HydrophobicContact CG2-CD 3.85Å; T203-K239 HydrophobicContact CG2-CG 4.18Å; V204-K239 PolarHBondContact O-N 3.46Å; L205-K239 WeakPolarHBondContact CA-O 3.48Å; L205-K239 HydrophobicContact CD1-CB 3.76Å; L206-K239 PolarHBondContact N-O 2.96Å; K239-D277 IonicContact NZ-OD2 2.63Å; K239-D277 PolarHBondContact NZ-OD2 3.06Å; K239-L280 HydrophobicContact CB-CD1 4.23Å; K239-L280 HydrophobicContact CD-CD1 3.7Å
240V96Very high91.9Very high2 Ų256 Ų561%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-97.6106.5175.3-174.90000107.3I238 I257 T274 N275I238-V240 HydrophobicContact CG2-CG2 3.97Å; V240-I257 HydrophobicContact CG2-CD1 3.86Å; V240-I257 HydrophobicContact CG2-CG1 3.96Å; V240-I257 HydrophobicContact CG2-CG2 4.1Å; V240-T274 PolarHBondContact N-O 2.84Å; V240-N275 CarbonylContact O-C 3.22Å; V240-N275 WeakPolarHBondContact O-CA 3.34Å
241V92.8Very high91.9Very high7 Ų754.9 Ų54.94%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-97.3139.8-179.3-74.60000110.8T127 L130 L205 L206 N207 G208 L280T127-V241 HydrophobicContact CG2-CG2 3.97Å; L130-V241 HydrophobicContact CD2-CB 4.22Å; L130-V241 HydrophobicContact CD2-CG1 4.19Å; L130-V241 HydrophobicContact CD2-CG2 3.88Å; L205-V241 HydrophobicContact CD1-CB 4.33Å; L205-V241 HydrophobicContact CD1-CG1 3.57Å; L205-V241 HydrophobicContact CD1-CG2 3.81Å; L205-V241 HydrophobicContact CG-CG2 4.16Å; L206-V241 WeakPolarHBondContact O-CG2 3.01Å; L206-V241 PolarHBondContact O-N 3.45Å; N207-V241 CarbonylContact C-O 3.6Å; G208-V241 PolarHBondContact N-O 3.47Å; V241-L280 HydrophobicContact CG1-CB 3.95Å; V241-L280 HydrophobicContact CG1-CD1 3.65Å; V241-L280 HydrophobicContact CG1-CG 4.29Å
242T89Confident91.9Very high27 Ų2748 Ų4817%0.16625%0.248CC..  trans-111141.317242.90000108.1S209 H248 Q284S209-T242 WeakPolarHBondContact OG-CA 3.06Å; T242-H248 VanDerWaalsContact CB-ND1 3.3Å; T242-H248 WeakPolarHBondContact CB-ND1 3.21Å; T242-H248 HydrophobicContact CG2-CB 4.35Å; T242-H248 WeakPolarHBondContact CG2-ND1 3.5Å; T242-H248 PolarHBondContact OG1-CE1 3.08Å; T242-H248 PolarHBondContact OG1-ND1 2.73Å; T242-Q284 PolarHBondContact O-NE2 2.91Å; T242-Q284 VanDerWaalsContact O-NE2 3.14Å; T242-Q284 PolarHBondContact O-OE1 2.86Å
243N83.1Confident91.8Very high71 Ų7146.1 Ų46.138%0.3826%0.261SS..  trans-70.9140178.4-69.5-18.8000108.9S209 E245 G246S209-N243 PolarHBondContact OG-N 3.44Å; N243-E245 PolarHBondContact O-N 2.79Å; N243-E245 VanDerWaalsContact O-N 3.14Å; N243-G246 PolarHBondContact O-N 3.36Å
244P79.7Confident91.7Very high33 Ų3351.3 Ų51.321%0.21429%0.285CS..THydrogen-bonded Turntrans-52.1-37.5-179.7-31.836.9000114.7Q284 S293P244-Q284 HydrophobicContact CG-CB 3.58Å; P244-Q284 HydrophobicContact CG-CG 4.5Å; P244-S293 VanDerWaalsContact C-OG 3.3Å; P244-S293 WeakPolarHBondContact CA-OG 3Å; P244-S293 VanDerWaalsContact CB-OG 3.23Å; P244-S293 WeakPolarHBondContact CB-OG 3.28Å; P244-S293 PolarHBondContact O-OG 3.18Å
245E79.6Confident91.9Very high149 Ų14948.8 Ų48.870%0.69628%0.282SS*.THydrogen-bonded Turntrans-96.9-8.3178.5-60.6-177.416100113.2N243 Q291N243-E245 PolarHBondContact O-N 2.79Å; N243-E245 VanDerWaalsContact O-N 3.14Å; E245-Q291 HydrophobicContact CG-CG 4.35Å; E245-Q291 PolarHBondContact OE1-NE2 3.02Å
246G78.3Confident92Very high19 Ų1945.9 Ų45.920%0.19627%0.273CS..SBendtrans-87.2159.1-172.800000112.5N243N243-G246 PolarHBondContact O-N 3.36Å
247P87.1Confident92Very high79 Ų7945.8 Ų45.851%0.51327%0.272SS..  trans-63.1152.5170.728.3-34.6000110.7S209 I249S209-P247 WeakPolarHBondContact CA-O 3.42Å; S209-P247 WeakPolarHBondContact CB-O 3.18Å; S209-P247 PolarHBondContact OG-O 2.79Å; P247-I249 HydrophobicContact CB-CD1 4.27Å; P247-I249 HydrophobicContact CB-CG1 3.81Å; P247-I249 HydrophobicContact CG-CD1 3.71Å; P247-I249 HydrophobicContact CG-CG1 3.73Å; P247-I249 PolarHBondContact O-N 3.3Å
248H90.4Very high92.1Very high142 Ų14246.4 Ų46.466%0.65728%0.277SS*.  trans-92.193.1167.9-60.8-85000108.3T242T242-H248 VanDerWaalsContact CB-ND1 3.3Å; T242-H248 WeakPolarHBondContact CB-ND1 3.21Å; T242-H248 HydrophobicContact CG2-CB 4.35Å; T242-H248 WeakPolarHBondContact CG2-ND1 3.5Å; T242-H248 PolarHBondContact OG1-CE1 3.08Å; T242-H248 PolarHBondContact OG1-ND1 2.73Å
249I94.2Very high92.1Very high58 Ų5850.4 Ų50.430%0.29730%0.296SS..  trans-93.9-48.5-172.2-57.8-170.4000111.6G208 S209 T211 P247G208-I249 WeakPolarHBondContact O-CA 3.22Å; G208-I249 PolarHBondContact O-N 2.88Å; S209-I249 WeakPolarHBondContact O-CD1 3.19Å; T211-I249 HydrophobicContact CG2-CG2 3.73Å; P247-I249 HydrophobicContact CB-CD1 4.27Å; P247-I249 HydrophobicContact CB-CG1 3.81Å; P247-I249 HydrophobicContact CG-CD1 3.71Å; P247-I249 HydrophobicContact CG-CG1 3.73Å; P247-I249 PolarHBondContact O-N 3.3Å
250E95.9Very high92.1Very high18 Ų1849 Ų498%0.08429%0.289CS..  trans-126151.1-179.9-64.6-167.3-175.800111.4G208 N212 A213 S256 I257G208-E250 WeakPolarHBondContact CA-O 3.2Å; G208-E250 PolarHBondContact O-N 3.41Å; N212-E250 PolarHBondContact N-OE1 3.48Å; A213-E250 HydrophobicContact CB-CB 4.11Å; A213-E250 VanDerWaalsContact CB-OE2 3.27Å; A213-E250 WeakPolarHBondContact CB-OE2 3.23Å; A213-E250 PolarHBondContact N-OE2 2.83Å; A213-E250 VanDerWaalsContact N-OE2 3.16Å; E250-S256 WeakPolarHBondContact OE2-CB 3.17Å; E250-S256 PolarHBondContact OE2-N 2.83Å; E250-S256 VanDerWaalsContact OE2-N 3.09Å; E250-S256 PolarHBondContact OE2-OG 2.86Å; E250-I257 HydrophobicContact CB-CG1 4.47Å
251S95.5Very high92.3Very high32 Ų3249.9 Ų49.922%0.22429%0.294CS..BIsolated β-bridgetrans-148172.9-176.470.90000109.5G253 Q254 I257 N275S251-G253 PolarHBondContact O-N 2.82Å; S251-Q254 PolarHBondContact O-N 3.19Å; S251-I257 WeakPolarHBondContact O-CB 3.48Å; S251-N275 WeakPolarHBondContact CA-OD1 3.47Å; S251-N275 VanDerWaalsContact CB-OD1 3.29Å; S251-N275 WeakPolarHBondContact CB-OD1 3.42Å
252C96.6Very high92.5Very high20 Ų2055.2 Ų55.214%0.13532%0.319CS..THydrogen-bonded Turntrans-52.5-26.8-179.2-69.70000115.6I261 C273 T274 N275C252-I261 VanDerWaalsContact O-CD1 3.31Å; C252-I261 WeakPolarHBondContact O-CD1 3.43Å; C252-C273 WeakPolarHBondContact CA-SG 3.39Å; C252-C273 HydrophobicContact CB-CB 3.58Å; C252-C273 WeakPolarHBondContact CB-SG 3.3Å; C252-C273 VanDerWaalsContact SG-CA 3.58Å; C252-C273 WeakPolarHBondContact SG-CB 3.33Å; C252-C273 CovalentContact SG-SG 2.03Å; C252-C273 PolarHBondContact SG-SG 3.02Å; C252-T274 VanDerWaalsContact SG-C 3.59Å; C252-T274 PolarHBondContact SG-N 3.15Å; C252-N275 PolarHBondContact N-OD1 3.43Å; C252-N275 PolarHBondContact SG-OD1 2.87Å
253G94.9Very high92.9Very high66 Ų6655.1 Ų55.168%0.6832%0.317SS*.THydrogen-bonded Turntrans-104.66.2178.500000114.4S251 V258S251-G253 PolarHBondContact O-N 2.82Å; G253-V258 VanDerWaalsContact C-CG2 3.46Å
254Q95.2Very high93.6Very high113 Ų11351.8 Ų51.853%0.52830%0.299SS..BIsolated β-bridgetrans-140.4145.2-167.5-171.4175.2-1.500112.9S251S251-Q254 PolarHBondContact O-N 3.19Å
255G95.8Very high94.5Very high46 Ų4659.4 Ų59.447%0.47432%0.324SS..THydrogen-bonded Turntrans68.9-145.7172.200000112.9I257 V258G255-I257 PolarHBondContact O-N 2.88Å; G255-V258 PolarHBondContact O-N 2.99Å
256S98.1Very high95.3Very high9 Ų956.5 Ų56.56%0.06332%0.32CS..Hα-helixtrans-67-17.3-174.869.70000114.1A213 F214 E250 V258 E259 L260A213-S256 PolarHBondContact N-OG 2.89Å; A213-S256 VanDerWaalsContact N-OG 3.13Å; F214-S256 WeakPolarHBondContact CA-OG 3.4Å; F214-S256 WeakPolarHBondContact CD1-O 3.34Å; F214-S256 PolarHBondContact N-OG 3.18Å; F214-S256 WeakPolarHBondContact O-CB 3.48Å; F214-S256 PolarHBondContact O-OG 2.79Å; E250-S256 WeakPolarHBondContact OE2-CB 3.17Å; E250-S256 PolarHBondContact OE2-N 2.83Å; E250-S256 VanDerWaalsContact OE2-N 3.09Å; E250-S256 PolarHBondContact OE2-OG 2.86Å; S256-V258 VanDerWaalsContact C-N 3.27Å; S256-V258 PolarHBondContact O-N 3.2Å; S256-E259 WeakPolarHBondContact O-CB 3.21Å; S256-E259 PolarHBondContact O-N 3.36Å; S256-L260 PolarHBondContact O-N 2.65Å; S256-L260 VanDerWaalsContact O-N 3.16Å
257I98.2Very high96.2Very high0 Ų058.8 Ų58.80%032%0.322CS..Hα-helixtrans-65.7-32.4176.9-54.7-59.3000111.7L206 A213 F214 V240 E250 S251 G255 E259 L260 I261L206-I257 HydrophobicContact CB-CD1 4.35Å; L206-I257 HydrophobicContact CD1-CD1 3.49Å; L206-I257 VanDerWaalsContact CD1-CD1 3.49Å; A213-I257 HydrophobicContact CB-CD1 3.71Å; A213-I257 HydrophobicContact CB-CG1 4.26Å; F214-I257 HydrophobicContact CB-CD1 4.28Å; V240-I257 HydrophobicContact CG2-CD1 3.86Å; V240-I257 HydrophobicContact CG2-CG1 3.96Å; V240-I257 HydrophobicContact CG2-CG2 4.1Å; E250-I257 HydrophobicContact CB-CG1 4.47Å; S251-I257 WeakPolarHBondContact O-CB 3.48Å; G255-I257 PolarHBondContact O-N 2.88Å; I257-E259 VanDerWaalsContact C-N 3.3Å; I257-E259 PolarHBondContact O-N 2.8Å; I257-L260 WeakPolarHBondContact O-CB 3.47Å; I257-L260 PolarHBondContact O-N 2.81Å; I257-I261 HydrophobicContact CG2-CD1 4.16Å; I257-I261 WeakPolarHBondContact O-CG1 3.26Å; I257-I261 PolarHBondContact O-N 3.03Å
258V98.1Very high96.6Very high52 Ų5257.9 Ų57.932%0.31533%0.327SS..Hα-helixtrans-64.4-38.4175.1-179.90000110.8G253 G255 S256 I261 Q262G253-V258 VanDerWaalsContact C-CG2 3.46Å; G255-V258 PolarHBondContact O-N 2.99Å; S256-V258 VanDerWaalsContact C-N 3.27Å; S256-V258 PolarHBondContact O-N 3.2Å; V258-I261 PolarHBondContact O-N 2.91Å; V258-Q262 WeakPolarHBondContact O-CG 3.47Å; V258-Q262 PolarHBondContact O-N 3.43Å
259E98.2Very high96.9Very high85 Ų8551.5 Ų51.540%0.39730%0.298SS..Hα-helixtrans-62.7-45.8174.6-172.9-169.516100111F214 S256 I257 I261 Q262 I263F214-E259 HydrophobicContact CD1-CB 4.38Å; F214-E259 HydrophobicContact CE1-CB 4.47Å; F214-E259 HydrophobicContact CE1-CG 4.2Å; S256-E259 WeakPolarHBondContact O-CB 3.21Å; S256-E259 PolarHBondContact O-N 3.36Å; I257-E259 VanDerWaalsContact C-N 3.3Å; I257-E259 PolarHBondContact O-N 2.8Å; E259-I261 VanDerWaalsContact C-N 3.32Å; E259-I261 PolarHBondContact O-N 2.85Å; E259-Q262 WeakPolarHBondContact O-CB 3.13Å; E259-Q262 PolarHBondContact O-N 2.63Å; E259-I263 HydrophobicContact CG-CD1 4.2Å; E259-I263 WeakPolarHBondContact O-CG1 3.17Å; E259-I263 PolarHBondContact O-N 2.9Å
260L98.5Very high97.1Very high0 Ų057.5 Ų57.50%032%0.317CS..Hα-helixtrans-56.7-46.5174.9173.559.2000111.7L206 F214 F220 L225 I238 S256 I257 Q262 I263 L264L206-L260 HydrophobicContact CD1-CD2 3.59Å; F214-L260 HydrophobicContact CB-CB 4.16Å; F214-L260 HydrophobicContact CD1-CB 3.88Å; F214-L260 HydrophobicContact CD2-CB 4Å; F214-L260 HydrophobicContact CD2-CD1 4Å; F214-L260 HydrophobicContact CD2-CD2 4.18Å; F214-L260 HydrophobicContact CD2-CG 4.29Å; F214-L260 HydrophobicContact CE1-CB 4.23Å; F214-L260 HydrophobicContact CE2-CB 4.35Å; F214-L260 HydrophobicContact CE2-CD1 3.81Å; F214-L260 HydrophobicContact CG-CB 3.74Å; F214-L260 HydrophobicContact CG-CD2 4.47Å; F214-L260 HydrophobicContact CG-CG 4.5Å; F214-L260 HydrophobicContact CZ-CB 4.45Å; F214-L260 HydrophobicContact CZ-CD1 4.25Å; F220-L260 HydrophobicContact CE1-CD1 4.01Å; F220-L260 HydrophobicContact CE1-CD2 4.16Å; F220-L260 HydrophobicContact CZ-CD1 4.34Å; L225-L260 HydrophobicContact CD1-CD1 4.31Å; L225-L260 HydrophobicContact CD2-CD1 3.68Å; I238-L260 HydrophobicContact CD1-CD2 4.11Å; I238-L260 HydrophobicContact CD1-CG 4.32Å; I238-L260 HydrophobicContact CG1-CD2 4.3Å; I238-L260 HydrophobicContact CG2-CD2 4.37Å; S256-L260 PolarHBondContact O-N 2.65Å; S256-L260 VanDerWaalsContact O-N 3.16Å; I257-L260 WeakPolarHBondContact O-CB 3.47Å; I257-L260 PolarHBondContact O-N 2.81Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 2.63Å; L260-I263 PolarHBondContact O-N 3.08Å; L260-L264 HydrophobicContact CD1-CD1 4.15Å; L260-L264 HydrophobicContact CD1-CG 4.11Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.48Å
261I98.3Very high97.2Very high22 Ų2260.7 Ų60.711%0.11333%0.328CS..Hα-helixtrans-59.7-42.7178.3-75.3167.6000111.2I238 C252 I257 V258 E259 L264 W265 W271 C273I238-I261 HydrophobicContact CD1-CG1 3.88Å; C252-I261 VanDerWaalsContact O-CD1 3.31Å; C252-I261 WeakPolarHBondContact O-CD1 3.43Å; I257-I261 HydrophobicContact CG2-CD1 4.16Å; I257-I261 WeakPolarHBondContact O-CG1 3.26Å; I257-I261 PolarHBondContact O-N 3.03Å; V258-I261 PolarHBondContact O-N 2.91Å; E259-I261 VanDerWaalsContact C-N 3.32Å; E259-I261 PolarHBondContact O-N 2.85Å; I261-L264 PolarHBondContact O-N 3.21Å; I261-W265 WeakPolarHBondContact O-CB 3.48Å; I261-W265 PolarHBondContact O-N 2.61Å; I261-W271 HydrophobicContact CB-CZ2 4.47Å; I261-W271 HydrophobicContact CD1-CE3 4.3Å; I261-W271 HydrophobicContact CD1-CH2 4.08Å; I261-W271 HydrophobicContact CD1-CZ3 3.8Å; I261-W271 HydrophobicContact CG1-CD2 4.36Å; I261-W271 HydrophobicContact CG1-CE3 4.05Å; I261-W271 HydrophobicContact CG1-CH2 4.28Å; I261-W271 HydrophobicContact CG1-CZ3 4.01Å; I261-W271 HydrophobicContact CG2-CD2 4.2Å; I261-W271 HydrophobicContact CG2-CE3 4.43Å; I261-W271 HydrophobicContact CG2-CH2 3.58Å; I261-W271 HydrophobicContact CG2-CZ2 3.25Å; I261-W271 HydrophobicContact CG2-CZ3 4.15Å; I261-C273 HydrophobicContact CD1-CB 4.37Å
262Q98.1Very high97.2Very high119 Ų11961.6 Ų61.656%0.55633%0.332SS*.Hα-helixtrans-63.5-40.4176.3-72173.1-6.200112.2V258 E259 L260 W265 S266V258-Q262 WeakPolarHBondContact O-CG 3.47Å; V258-Q262 PolarHBondContact O-N 3.43Å; E259-Q262 WeakPolarHBondContact O-CB 3.13Å; E259-Q262 PolarHBondContact O-N 2.63Å; L260-Q262 VanDerWaalsContact C-N 3.32Å; L260-Q262 PolarHBondContact O-N 2.63Å; Q262-W265 PolarHBondContact O-N 3.21Å; Q262-S266 WeakPolarHBondContact O-CB 3.15Å; Q262-S266 PolarHBondContact O-N 3.14Å; Q262-S266 PolarHBondContact O-OG 2.88Å
263I98Very high97.3Very high25 Ų2562.1 Ų62.113%0.12834%0.336CS..Hα-helixtrans-63.5-45.9175.6-66.2164000110.5F214 L225 E259 L260 W265 S266 R267F214-I263 HydrophobicContact CE1-CD1 3.76Å; F214-I263 HydrophobicContact CZ-CD1 3.73Å; L225-I263 HydrophobicContact CD2-CB 4.49Å; L225-I263 HydrophobicContact CD2-CD1 4.49Å; L225-I263 HydrophobicContact CD2-CG2 3.8Å; L225-I263 HydrophobicContact CG-CG2 4.31Å; E259-I263 HydrophobicContact CG-CD1 4.2Å; E259-I263 WeakPolarHBondContact O-CG1 3.17Å; E259-I263 PolarHBondContact O-N 2.9Å; L260-I263 PolarHBondContact O-N 3.08Å; I263-W265 PolarHBondContact O-N 3.16Å; I263-S266 PolarHBondContact O-N 2.85Å; I263-S266 PolarHBondContact O-OG 2.9Å; I263-R267 WeakPolarHBondContact O-CB 3.3Å; I263-R267 WeakPolarHBondContact O-CG 3.45Å; I263-R267 PolarHBondContact O-N 3.03Å; I263-R267 VanDerWaalsContact O-N 3.14Å
264L98.1Very high97.3Very high1 Ų161.6 Ų61.61%0.00532%0.319CS..Hα-helixtrans-62-45.5178.6-71173.8000111.7L225 V236 I238 L260 I261 R267 G268 F269 W271L225-L264 HydrophobicContact CD1-CD2 3.66Å; V236-L264 HydrophobicContact CB-CD1 4.17Å; V236-L264 HydrophobicContact CB-CD2 4.33Å; V236-L264 HydrophobicContact CG1-CD1 3.88Å; V236-L264 HydrophobicContact CG1-CD2 4.24Å; V236-L264 HydrophobicContact CG2-CD2 3.96Å; I238-L264 HydrophobicContact CD1-CD1 3.77Å; I238-L264 HydrophobicContact CG1-CD1 4.27Å; L260-L264 HydrophobicContact CD1-CD1 4.15Å; L260-L264 HydrophobicContact CD1-CG 4.11Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.48Å; I261-L264 PolarHBondContact O-N 3.21Å; L264-R267 PolarHBondContact O-N 3.42Å; L264-G268 PolarHBondContact O-N 2.78Å; L264-F269 HydrophobicContact CB-CB 4.29Å; L264-F269 HydrophobicContact CD2-CB 4.21Å; L264-F269 HydrophobicContact CD2-CD2 3.84Å; L264-F269 HydrophobicContact CD2-CG 4.18Å; L264-F269 PolarHBondContact O-N 3.14Å; L264-W271 HydrophobicContact CD1-CB 4.07Å; L264-W271 HydrophobicContact CD1-CG 4.49Å
265W96.8Very high97.1Very high193 Ų19359.9 Ų59.973%0.73131%0.314SS*.Hα-helixtrans-62.5-48.7178.217969.2000112.2I261 Q262 I263 R267 G268I261-W265 WeakPolarHBondContact O-CB 3.48Å; I261-W265 PolarHBondContact O-N 2.61Å; Q262-W265 PolarHBondContact O-N 3.21Å; I263-W265 PolarHBondContact O-N 3.16Å; W265-R267 PolarHBondContact O-N 3.21Å; W265-G268 PolarHBondContact O-N 2.92Å
266S97.3Very high96.1Very high88 Ų8861.7 Ų61.762%0.61532%0.319SS*.Hα-helixtrans-63.1-26.1179.962.60000113.4Q262 I263Q262-S266 WeakPolarHBondContact O-CB 3.15Å; Q262-S266 PolarHBondContact O-N 3.14Å; Q262-S266 PolarHBondContact O-OG 2.88Å; I263-S266 PolarHBondContact O-N 2.85Å; I263-S266 PolarHBondContact O-OG 2.9Å
267R96.5Very high95.4Very high66 Ų6662.6 Ų62.625%0.24932%0.323CS..THydrogen-bonded Turntrans-91.13.9176.4-68178.261.6-165.5-7.8114.1L225 D226 L228 I263 L264 W265 F269L225-R267 PolarHBondContact O-NH1 3.25Å; L225-R267 PolarHBondContact O-NH2 3.4Å; D226-R267 PolarHBondContact O-NH2 2.02Å; D226-R267 VanDerWaalsContact O-NH2 3.14Å; D226-R267 IonicContact OD1-NH1 3.46Å; D226-R267 PolarHBondContact OD1-NH1 3.47Å; L228-R267 PolarHBondContact O-NH2 2.82Å; I263-R267 WeakPolarHBondContact O-CB 3.3Å; I263-R267 WeakPolarHBondContact O-CG 3.45Å; I263-R267 PolarHBondContact O-N 3.03Å; I263-R267 VanDerWaalsContact O-N 3.14Å; L264-R267 PolarHBondContact O-N 3.42Å; W265-R267 PolarHBondContact O-N 3.21Å; R267-F269 HydrophobicContact CB-CD2 3.76Å; R267-F269 HydrophobicContact CB-CE2 3.67Å
268G95.5Very high94.6Very high60 Ų6067.9 Ų67.962%0.61935%0.351SS*.THydrogen-bonded Turntrans81.913.417400000115.1L264 W265L264-G268 PolarHBondContact O-N 2.78Å; W265-G268 PolarHBondContact O-N 2.92Å
269F97.5Very high93.8Very high8 Ų867.3 Ų67.34%0.03535%0.348CS..  trans-78.2141.8175.2-63.1-77.2000111.3L228 P230 V233 V236 L264 R267L228-F269 HydrophobicContact CB-CE1 4.15Å; L228-F269 HydrophobicContact CB-CZ 3.68Å; P230-F269 HydrophobicContact CB-CD1 4.16Å; P230-F269 HydrophobicContact CB-CE1 3.74Å; P230-F269 HydrophobicContact CB-CE2 4.47Å; P230-F269 HydrophobicContact CB-CZ 3.91Å; P230-F269 HydrophobicContact CG-CZ 4.43Å; V233-F269 HydrophobicContact CB-CD1 4.32Å; V233-F269 HydrophobicContact CB-CE1 3.99Å; V233-F269 HydrophobicContact CG1-CD1 4.11Å; V233-F269 HydrophobicContact CG1-CE1 4.17Å; V236-F269 HydrophobicContact CG2-CB 4.19Å; V236-F269 HydrophobicContact CG2-CD1 4.23Å; V236-F269 HydrophobicContact CG2-CG 4.29Å; L264-F269 HydrophobicContact CB-CB 4.29Å; L264-F269 HydrophobicContact CD2-CB 4.21Å; L264-F269 HydrophobicContact CD2-CD2 3.84Å; L264-F269 HydrophobicContact CD2-CG 4.18Å; L264-F269 PolarHBondContact O-N 3.14Å; R267-F269 HydrophobicContact CB-CD2 3.76Å; R267-F269 HydrophobicContact CB-CE2 3.67Å
270R97.3Very high93.3Very high184 Ų18463.3 Ų63.369%0.69433%0.329SS*.EExtended strand (participates in β ladder)trans-81.1144.2161.7-57.8179.8178.4-176.6-0108.8Y235 V236Y235-R270 CarbonylContact C-O 3.36Å; Y235-R270 WeakPolarHBondContact CA-O 3.37Å; Y235-R270 HydrophobicContact CD2-CB 3.38Å; Y235-R270 HydrophobicContact CD2-CG 4.42Å; Y235-R270 HydrophobicContact CE2-CB 3.47Å; Y235-R270 VanDerWaalsContact CE2-CB 3.47Å; Y235-R270 HydrophobicContact CE2-CG 4.49Å; Y235-R270 HydrophobicContact CG-CB 4.18Å; V236-R270 PolarHBondContact N-O 3.33Å
271W97.9Very high92.6Very high86 Ų8664.7 Ų64.733%0.32634%0.338SS..EExtended strand (participates in β ladder)trans-148.2153.6-17558.8-94000112.4Y235 V236 I261 L264 C273Y235-W271 PolarHBondContact OH-O 2.89Å; Y235-W271 VanDerWaalsContact OH-O 3.11Å; V236-W271 HydrophobicContact CB-CB 4.38Å; V236-W271 WeakPolarHBondContact O-CA 3.43Å; V236-W271 WeakPolarHBondContact O-CB 3.23Å; I261-W271 HydrophobicContact CB-CZ2 4.47Å; I261-W271 HydrophobicContact CD1-CE3 4.3Å; I261-W271 HydrophobicContact CD1-CH2 4.08Å; I261-W271 HydrophobicContact CD1-CZ3 3.8Å; I261-W271 HydrophobicContact CG1-CD2 4.36Å; I261-W271 HydrophobicContact CG1-CE3 4.05Å; I261-W271 HydrophobicContact CG1-CH2 4.28Å; I261-W271 HydrophobicContact CG1-CZ3 4.01Å; I261-W271 HydrophobicContact CG2-CD2 4.2Å; I261-W271 HydrophobicContact CG2-CE3 4.43Å; I261-W271 HydrophobicContact CG2-CH2 3.58Å; I261-W271 HydrophobicContact CG2-CZ2 3.25Å; I261-W271 HydrophobicContact CG2-CZ3 4.15Å; L264-W271 HydrophobicContact CD1-CB 4.07Å; L264-W271 HydrophobicContact CD1-CG 4.49Å; W271-C273 HydrophobicContact CE3-CB 4.49Å; W271-C273 HydrophobicContact CZ3-CB 4.37Å
272T97.4Very high92Very high51 Ų5166.6 Ų66.631%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-123.3156.3164.146.80000108.4Y235 V236 N237 I238Y235-T272 HydrophobicContact CE1-CG2 3.48Å; Y235-T272 VanDerWaalsContact CE1-CG2 3.48Å; Y235-T272 VanDerWaalsContact CE1-N 3.34Å; Y235-T272 WeakPolarHBondContact OH-CG2 3.3Å; V236-T272 PolarHBondContact O-N 2.86Å; N237-T272 PolarHBondContact OD1-OG1 2.93Å; I238-T272 WeakPolarHBondContact CB-O 3.48Å; I238-T272 WeakPolarHBondContact CG1-O 3.49Å; I238-T272 PolarHBondContact N-O 2.88Å
273C97.9Very high91.5Very high31 Ų3162.2 Ų62.221%0.20933%0.328CS..EExtended strand (participates in β ladder)trans-133.9133.1168.7-169.50000110.5I238 C252 I261 W271I238-C273 HydrophobicContact CB-CB 4.05Å; I238-C273 HydrophobicContact CD1-CB 4.31Å; I238-C273 CarbonylContact O-C 3.13Å; I238-C273 VanDerWaalsContact O-CA 3.31Å; I238-C273 WeakPolarHBondContact O-CA 3.31Å; C252-C273 WeakPolarHBondContact CA-SG 3.39Å; C252-C273 HydrophobicContact CB-CB 3.58Å; C252-C273 WeakPolarHBondContact CB-SG 3.3Å; C252-C273 VanDerWaalsContact SG-CA 3.58Å; C252-C273 WeakPolarHBondContact SG-CB 3.33Å; C252-C273 CovalentContact SG-SG 2.03Å; C252-C273 PolarHBondContact SG-SG 3.02Å; I261-C273 HydrophobicContact CD1-CB 4.37Å; W271-C273 HydrophobicContact CE3-CB 4.49Å; W271-C273 HydrophobicContact CZ3-CB 4.37Å
274T95.8Very high90.9Very high55 Ų5562.8 Ų62.834%0.33733%0.33SS..EExtended strand (participates in β ladder)trans-128.3125.1-179.5-50.90000110.4I238 V240 C252 S276I238-T274 PolarHBondContact O-N 2.9Å; V240-T274 PolarHBondContact N-O 2.84Å; C252-T274 VanDerWaalsContact SG-C 3.59Å; C252-T274 PolarHBondContact SG-N 3.15Å; T274-S276 WeakPolarHBondContact CG2-O 3.04Å
275N89.1Confident90.3Very high76 Ų7662.8 Ų62.841%0.40633%0.33SS..SBendtrans-82.1-20.8177.6-70.9-36.6000113.7V240 S251 C252V240-N275 CarbonylContact O-C 3.22Å; V240-N275 WeakPolarHBondContact O-CA 3.34Å; S251-N275 WeakPolarHBondContact CA-OD1 3.47Å; S251-N275 VanDerWaalsContact CB-OD1 3.29Å; S251-N275 WeakPolarHBondContact CB-OD1 3.42Å; C252-N275 PolarHBondContact N-OD1 3.43Å; C252-N275 PolarHBondContact SG-OD1 2.87Å
276S75.6Confident89.7Confident84 Ų8459.1 Ų59.159%0.58732%0.323SS*.  trans-145.9112.2-176.6-175.90000108.8T274T274-S276 WeakPolarHBondContact CG2-O 3.04Å
277D82.7Confident88.7Confident28 Ų2864 Ų6415%0.1534%0.336CS..  trans-106.8118.2168.7-176.3-53.7000107.1K239 T279 L280 V281K239-D277 IonicContact NZ-OD2 2.63Å; K239-D277 PolarHBondContact NZ-OD2 3.06Å; D277-T279 PolarHBondContact O-N 3.22Å; D277-T279 WeakPolarHBondContact OD1-CA 3.49Å; D277-T279 WeakPolarHBondContact OD1-CB 3.14Å; D277-T279 PolarHBondContact OD1-N 3.1Å; D277-T279 PolarHBondContact OD1-OG1 3.14Å; D277-T279 VanDerWaalsContact OD1-OG1 3.12Å; D277-L280 HydrophobicContact CB-CB 4.17Å; D277-L280 HydrophobicContact CB-CD1 3.86Å; D277-L280 HydrophobicContact CB-CG 4.21Å; D277-L280 PolarHBondContact O-N 2.98Å; D277-V281 WeakPolarHBondContact O-CG2 3.17Å; D277-V281 PolarHBondContact O-N 3.03Å
278L81.4Confident87.8Confident111 Ų11163.6 Ų63.658%0.58134%0.339SS*.Hα-helixtrans-50.1-38.9-176.6-17667.6000112.2V281 I282 L297L278-V281 PolarHBondContact O-N 2.68Å; L278-I282 HydrophobicContact CG-CD1 4.02Å; L278-I282 VanDerWaalsContact O-CG1 3.24Å; L278-I282 WeakPolarHBondContact O-CG1 3.12Å; L278-I282 PolarHBondContact O-N 3.32Å; L278-L297 HydrophobicContact CD1-CD2 3.4Å; L278-L297 VanDerWaalsContact CD1-CD2 3.4Å; L278-L297 HydrophobicContact CG-CD2 4.43Å
279T83.1Confident87Confident40 Ų4065.5 Ų65.525%0.24533%0.334CS..Hα-helixtrans-65.4-45.5-179.5-50.50000111.8Y134 F138 D277 V281 I282 L283Y134-T279 HydrophobicContact CD2-CG2 4.29Å; Y134-T279 HydrophobicContact CE2-CG2 3.82Å; F138-T279 HydrophobicContact CD2-CG2 4.04Å; F138-T279 HydrophobicContact CE1-CG2 4.17Å; F138-T279 HydrophobicContact CE2-CG2 3.01Å; F138-T279 HydrophobicContact CZ-CG2 3.1Å; D277-T279 PolarHBondContact O-N 3.22Å; D277-T279 WeakPolarHBondContact OD1-CA 3.49Å; D277-T279 WeakPolarHBondContact OD1-CB 3.14Å; D277-T279 PolarHBondContact OD1-N 3.1Å; D277-T279 PolarHBondContact OD1-OG1 3.14Å; D277-T279 VanDerWaalsContact OD1-OG1 3.12Å; T279-V281 VanDerWaalsContact C-N 3.32Å; T279-I282 PolarHBondContact O-N 2.82Å; T279-L283 WeakPolarHBondContact O-CG 3.36Å; T279-L283 PolarHBondContact O-N 2.68Å
280L87.2Confident86.1Confident1 Ų171.3 Ų71.31%0.00537%0.366CS..Hα-helixtrans-68.2-36.6179.4-71.9166.3000110.7L130 Y134 L205 K239 V241 D277 L283 Q284L130-L280 HydrophobicContact CD1-CD2 4.23Å; L130-L280 HydrophobicContact CD2-CD2 4.13Å; L130-L280 HydrophobicContact CG-CD2 4.06Å; Y134-L280 HydrophobicContact CD1-CD2 4.25Å; Y134-L280 HydrophobicContact CD2-CD2 3.47Å; Y134-L280 VanDerWaalsContact CD2-CD2 3.47Å; Y134-L280 HydrophobicContact CD2-CG 4.08Å; Y134-L280 HydrophobicContact CE2-CD2 3.93Å; Y134-L280 HydrophobicContact CE2-CG 4.04Å; Y134-L280 HydrophobicContact CG-CD2 3.65Å; L205-L280 HydrophobicContact CD1-CD1 3.56Å; L205-L280 HydrophobicContact CD1-CD2 4.38Å; L205-L280 HydrophobicContact CD2-CD2 4.33Å; K239-L280 HydrophobicContact CB-CD1 4.23Å; K239-L280 HydrophobicContact CD-CD1 3.7Å; V241-L280 HydrophobicContact CG1-CB 3.95Å; V241-L280 HydrophobicContact CG1-CD1 3.65Å; V241-L280 HydrophobicContact CG1-CG 4.29Å; D277-L280 HydrophobicContact CB-CB 4.17Å; D277-L280 HydrophobicContact CB-CD1 3.86Å; D277-L280 HydrophobicContact CB-CG 4.21Å; D277-L280 PolarHBondContact O-N 2.98Å; L280-L283 PolarHBondContact O-N 2.99Å; L280-Q284 VanDerWaalsContact O-CG 3.27Å; L280-Q284 WeakPolarHBondContact O-CG 3.27Å; L280-Q284 PolarHBondContact O-N 2.83Å
281V83.9Confident85.1Confident30 Ų3064.4 Ų64.418%0.18234%0.341CS..Hα-helixtrans-62.3-48.2172.3-176.60000110.2D277 L278 T279 L283 Q284 C285 L297D277-V281 WeakPolarHBondContact O-CG2 3.17Å; D277-V281 PolarHBondContact O-N 3.03Å; L278-V281 PolarHBondContact O-N 2.68Å; T279-V281 VanDerWaalsContact C-N 3.32Å; V281-L283 VanDerWaalsContact C-N 3.31Å; V281-L283 PolarHBondContact O-N 3.46Å; V281-Q284 PolarHBondContact O-N 3.08Å; V281-Q284 VanDerWaalsContact O-N 3.15Å; V281-C285 WeakPolarHBondContact O-CB 3.14Å; V281-C285 PolarHBondContact O-N 3.25Å; V281-C285 PolarHBondContact O-SG 3.08Å; V281-L297 HydrophobicContact CB-CD1 4.37Å; V281-L297 HydrophobicContact CG1-CD1 3.67Å; V281-L297 HydrophobicContact CG1-CG 4.43Å
282I84.6Confident83.9Confident61 Ų6164.8 Ų64.831%0.31336%0.355SS..Hα-helixtrans-55-48.6176.4-71.5164.2000110.6L278 T279 Q284 C285 I286 L297L278-I282 HydrophobicContact CG-CD1 4.02Å; L278-I282 VanDerWaalsContact O-CG1 3.24Å; L278-I282 WeakPolarHBondContact O-CG1 3.12Å; L278-I282 PolarHBondContact O-N 3.32Å; T279-I282 PolarHBondContact O-N 2.82Å; I282-Q284 VanDerWaalsContact C-N 3.31Å; I282-Q284 PolarHBondContact O-N 3.07Å; I282-C285 PolarHBondContact O-N 3.33Å; I282-C285 VanDerWaalsContact O-N 3.07Å; I282-I286 WeakPolarHBondContact O-CG1 3.38Å; I282-I286 PolarHBondContact O-N 3.45Å; I282-I286 VanDerWaalsContact O-N 3.15Å; I282-L297 HydrophobicContact CB-CD1 4.42Å; I282-L297 HydrophobicContact CD1-CD2 4.34Å; I282-L297 HydrophobicContact CG1-CD1 3.74Å; I282-L297 HydrophobicContact CG1-CD2 3.75Å; I282-L297 HydrophobicContact CG1-CG 4.39Å
283L87.6Confident82.7Confident28 Ų2864.5 Ų64.515%0.14736%0.355CS..Hα-helixtrans-60.1-39.7179.6-71.9175.3000113L130 Y134 V137 T279 L280 V281 C285 I286L130-L283 HydrophobicContact CD1-CB 4.17Å; Y134-L283 HydrophobicContact CD2-CD1 3.68Å; Y134-L283 HydrophobicContact CG-CD1 4.33Å; V137-L283 HydrophobicContact CB-CD2 4.49Å; V137-L283 HydrophobicContact CG2-CD2 3.85Å; T279-L283 WeakPolarHBondContact O-CG 3.36Å; T279-L283 PolarHBondContact O-N 2.68Å; L280-L283 PolarHBondContact O-N 2.99Å; V281-L283 VanDerWaalsContact C-N 3.31Å; V281-L283 PolarHBondContact O-N 3.46Å; L283-C285 VanDerWaalsContact C-N 3.3Å; L283-I286 HydrophobicContact CD2-CD1 4.01Å
284Q85.9Confident81.8Confident37 Ų3763 Ų6317%0.17335%0.345CS..Hα-helixtrans-69.4-29.2176.7-69.4172.3-38.200112.3L130 T242 P244 L280 V281 I282L130-Q284 HydrophobicContact CD1-CG 3.83Å; L130-Q284 HydrophobicContact CD2-CG 4.11Å; T242-Q284 PolarHBondContact O-NE2 2.91Å; T242-Q284 VanDerWaalsContact O-NE2 3.14Å; T242-Q284 PolarHBondContact O-OE1 2.86Å; P244-Q284 HydrophobicContact CG-CB 3.58Å; P244-Q284 HydrophobicContact CG-CG 4.5Å; L280-Q284 VanDerWaalsContact O-CG 3.27Å; L280-Q284 WeakPolarHBondContact O-CG 3.27Å; L280-Q284 PolarHBondContact O-N 2.83Å; V281-Q284 PolarHBondContact O-N 3.08Å; V281-Q284 VanDerWaalsContact O-N 3.15Å; I282-Q284 VanDerWaalsContact C-N 3.31Å; I282-Q284 PolarHBondContact O-N 3.07Å
285C86.3Confident80.5Confident1 Ų165.5 Ų65.51%0.00735%0.353CS..Hα-helixtrans-87-10-177.6-65.60000114.7V281 I282 L283 Q287 D288 L289 C294 L297V281-C285 WeakPolarHBondContact O-CB 3.14Å; V281-C285 PolarHBondContact O-N 3.25Å; V281-C285 PolarHBondContact O-SG 3.08Å; I282-C285 PolarHBondContact O-N 3.33Å; I282-C285 VanDerWaalsContact O-N 3.07Å; L283-C285 VanDerWaalsContact C-N 3.3Å; C285-Q287 PolarHBondContact O-N 3.01Å; C285-D288 CarbonylContact O-C 3.58Å; C285-D288 VanDerWaalsContact O-C 3.23Å; C285-D288 PolarHBondContact O-N 2.71Å; C285-L289 HydrophobicContact CB-CD2 4.23Å; C285-L289 WeakPolarHBondContact O-CD2 2.94Å; C285-L289 PolarHBondContact O-N 2.84Å; C285-C294 VanDerWaalsContact CA-SG 3.54Å; C285-C294 HydrophobicContact CB-CB 3.63Å; C285-C294 WeakPolarHBondContact CB-SG 3.49Å; C285-C294 VanDerWaalsContact SG-CA 3.52Å; C285-C294 WeakPolarHBondContact SG-CB 3.33Å; C285-C294 CovalentContact SG-SG 2.02Å; C285-C294 PolarHBondContact SG-SG 3.16Å; C285-L297 HydrophobicContact CB-CD1 4.14Å
286I83.6Confident79.3Confident116 Ų11669.3 Ų69.360%0.59537%0.37SS*.SBendtrans-57.6-33.2-178.8-78169.3000112.3I282 L283I282-I286 WeakPolarHBondContact O-CG1 3.38Å; I282-I286 PolarHBondContact O-N 3.45Å; I282-I286 VanDerWaalsContact O-N 3.15Å; L283-I286 HydrophobicContact CD2-CD1 4.01Å
287Q76.8Confident78.8Confident190 Ų19066 Ų6689%0.88835%0.346SS*.SBendtrans-78.2-31-178.2-66.4-173.5-17.800112.8C285C285-Q287 PolarHBondContact O-N 3.01Å
288D77.9Confident77.7Confident58 Ų5866.2 Ų66.231%0.3135%0.352SS..  trans-153.6103179-175.27.1000111.4C285 N290 Q291C285-D288 CarbonylContact O-C 3.58Å; C285-D288 VanDerWaalsContact O-C 3.23Å; C285-D288 PolarHBondContact O-N 2.71Å; D288-N290 VanDerWaalsContact C-N 3.27Å; D288-N290 PolarHBondContact O-N 2.88Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 2.65Å; D288-Q291 HydrophobicContact CB-CG 4.13Å; D288-Q291 PolarHBondContact OD2-NE2 3.21Å
289L78.8Confident76.5Confident99 Ų9963.9 Ų63.952%0.51834%0.344SS..THydrogen-bonded Turntrans-76.7-12.7178.4-67172.8000113.3C285 Q291C285-L289 HydrophobicContact CB-CD2 4.23Å; C285-L289 WeakPolarHBondContact O-CD2 2.94Å; C285-L289 PolarHBondContact O-N 2.84Å; L289-Q291 VanDerWaalsContact C-N 3.29Å
290N76.9Confident75.3Confident130 Ų13064.6 Ų64.670%0.69535%0.351SS*.THydrogen-bonded Turntrans-82.6-10.8-175.7-61.1-51.1000112.8D288 Q295D288-N290 VanDerWaalsContact C-N 3.27Å; D288-N290 PolarHBondContact O-N 2.88Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 2.65Å; N290-Q295 PolarHBondContact O-NE2 2.82Å
291Q77.8Confident73.9Confident39 Ų3970 Ų7018%0.18238%0.378CS..SBendtrans-57.4136.7176.8-69.4-63.6-24.500111.2E245 D288 L289 S293 C294 Q295E245-Q291 HydrophobicContact CG-CG 4.35Å; E245-Q291 PolarHBondContact OE1-NE2 3.02Å; D288-Q291 HydrophobicContact CB-CG 4.13Å; D288-Q291 PolarHBondContact OD2-NE2 3.21Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; Q291-S293 PolarHBondContact O-N 3.08Å; Q291-S293 VanDerWaalsContact O-N 3.13Å; Q291-C294 HydrophobicContact CB-CB 4.11Å; Q291-C294 CarbonylContact O-C 3.55Å; Q291-C294 WeakPolarHBondContact O-CA 3.41Å; Q291-C294 WeakPolarHBondContact O-CB 3.47Å; Q291-C294 PolarHBondContact O-N 2.94Å; Q291-Q295 WeakPolarHBondContact O-CG 3.34Å; Q291-Q295 PolarHBondContact O-N 3.44Å; Q291-Q295 VanDerWaalsContact O-N 3.09Å
292P72.8Confident72.5Confident95 Ų9573.7 Ų73.762%0.61740%0.396SS*.THydrogen-bonded Turntrans-53.7-38-177.1-27.634.6000113.9C294 Q295P292-C294 VanDerWaalsContact C-N 3.26Å; P292-C294 PolarHBondContact O-N 2.73Å; P292-Q295 PolarHBondContact O-N 2.91Å
293S70.8Confident70.9Confident44 Ų4477 Ų7731%0.30841%0.41SS..THydrogen-bonded Turntrans-70-19.6176.8450000113.7P244 Q291P244-S293 VanDerWaalsContact C-OG 3.3Å; P244-S293 WeakPolarHBondContact CA-OG 3Å; P244-S293 VanDerWaalsContact CB-OG 3.23Å; P244-S293 WeakPolarHBondContact CB-OG 3.28Å; P244-S293 PolarHBondContact O-OG 3.18Å; Q291-S293 PolarHBondContact O-N 3.08Å; Q291-S293 VanDerWaalsContact O-N 3.13Å
294C78.4Confident69.2Low0 Ų082 Ų820%043%0.432CS..THydrogen-bonded Turntrans-95.9-15.6177.4-60.20000113.3C285 Q291 P292 M296 L297 A298C285-C294 VanDerWaalsContact CA-SG 3.54Å; C285-C294 HydrophobicContact CB-CB 3.63Å; C285-C294 WeakPolarHBondContact CB-SG 3.49Å; C285-C294 VanDerWaalsContact SG-CA 3.52Å; C285-C294 WeakPolarHBondContact SG-CB 3.33Å; C285-C294 CovalentContact SG-SG 2.02Å; C285-C294 PolarHBondContact SG-SG 3.16Å; Q291-C294 HydrophobicContact CB-CB 4.11Å; Q291-C294 CarbonylContact O-C 3.55Å; Q291-C294 WeakPolarHBondContact O-CA 3.41Å; Q291-C294 WeakPolarHBondContact O-CB 3.47Å; Q291-C294 PolarHBondContact O-N 2.94Å; P292-C294 VanDerWaalsContact C-N 3.26Å; P292-C294 PolarHBondContact O-N 2.73Å; C294-M296 VanDerWaalsContact C-N 3.26Å; C294-M296 PolarHBondContact O-N 2.89Å; C294-L297 WeakPolarHBondContact O-CB 3.29Å; C294-L297 PolarHBondContact O-N 2.77Å; C294-A298 PolarHBondContact O-N 3.11Å
295Q69.8Low67.5Low108 Ų10887.6 Ų87.651%0.50546%0.456SS..Hα-helixtrans-63.3-28.8-177.5-73.6172.311.300113.4N290 Q291 P292 L297 A298 S299N290-Q295 PolarHBondContact O-NE2 2.82Å; Q291-Q295 WeakPolarHBondContact O-CG 3.34Å; Q291-Q295 PolarHBondContact O-N 3.44Å; Q291-Q295 VanDerWaalsContact O-N 3.09Å; P292-Q295 PolarHBondContact O-N 2.91Å; Q295-L297 PolarHBondContact O-N 3.48Å; Q295-A298 PolarHBondContact O-N 2.97Å; Q295-S299 PolarHBondContact O-N 2.85Å; Q295-S299 PolarHBondContact O-OG 2.89Å
296M64.3Low65.7Low155 Ų15592.8 Ų92.876%0.76448%0.484SS*.Hα-helixtrans-66.3-25.6173.2-71.3-153.8-73.700113.2C294 S299 S300C294-M296 VanDerWaalsContact C-N 3.26Å; C294-M296 PolarHBondContact O-N 2.89Å; M296-S299 PolarHBondContact O-OG 2.81Å; M296-S300 PolarHBondContact O-OG 2.03Å
297L65.1Low63.9Low16 Ų1693.5 Ų93.58%0.08449%0.485CS..Hα-helixtrans-77.5-39.6172-66.5172.1000111.3L278 V281 I282 C285 C294 Q295 S299 S300 M301L278-L297 HydrophobicContact CD1-CD2 3.4Å; L278-L297 VanDerWaalsContact CD1-CD2 3.4Å; L278-L297 HydrophobicContact CG-CD2 4.43Å; V281-L297 HydrophobicContact CB-CD1 4.37Å; V281-L297 HydrophobicContact CG1-CD1 3.67Å; V281-L297 HydrophobicContact CG1-CG 4.43Å; I282-L297 HydrophobicContact CB-CD1 4.42Å; I282-L297 HydrophobicContact CD1-CD2 4.34Å; I282-L297 HydrophobicContact CG1-CD1 3.74Å; I282-L297 HydrophobicContact CG1-CD2 3.75Å; I282-L297 HydrophobicContact CG1-CG 4.39Å; C285-L297 HydrophobicContact CB-CD1 4.14Å; C294-L297 WeakPolarHBondContact O-CB 3.29Å; C294-L297 PolarHBondContact O-N 2.77Å; Q295-L297 PolarHBondContact O-N 3.48Å; L297-S299 PolarHBondContact O-N 3.32Å; L297-S300 PolarHBondContact O-N 2.71Å; L297-S300 PolarHBondContact O-OG 3.22Å; L297-M301 WeakPolarHBondContact O-CB 3.48Å; L297-M301 WeakPolarHBondContact O-CG 3.35Å; L297-M301 PolarHBondContact O-N 3Å
298A58Low62.3Low32 Ų3287.9 Ų87.926%0.26447%0.466SS..Hα-helixtrans-62.5-42.317800000111.9C294 Q295 M301 L302C294-A298 PolarHBondContact O-N 3.11Å; Q295-A298 PolarHBondContact O-N 2.97Å; A298-M301 PolarHBondContact O-N 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.45Å; A298-L302 WeakPolarHBondContact O-CD1 3.43Å; A298-L302 WeakPolarHBondContact O-CG 3.16Å; A298-L302 PolarHBondContact O-N 3.47Å
299S58Low60.8Low61 Ų6187.5 Ų87.543%0.42747%0.468SS..Hα-helixtrans-67.3-37.3179.753.30000113.4Q295 M296 L297 Q303Q295-S299 PolarHBondContact O-N 2.85Å; Q295-S299 PolarHBondContact O-OG 2.89Å; M296-S299 PolarHBondContact O-OG 2.81Å; L297-S299 PolarHBondContact O-N 3.32Å; S299-Q303 WeakPolarHBondContact O-CG 3.41Å; S299-Q303 PolarHBondContact O-N 3.43Å; S299-Q303 VanDerWaalsContact O-N 3.14Å
300S57.5Low59.3Low55 Ų5586.9 Ų86.939%0.38547%0.468SS..Hα-helixtrans-72.9-35.4175.8500000113.1M296 L297 Q304M296-S300 PolarHBondContact O-OG 2.03Å; L297-S300 PolarHBondContact O-N 2.71Å; L297-S300 PolarHBondContact O-OG 3.22Å; S300-Q304 PolarHBondContact O-N 2.77Å
301M56.8Low57.7Low116 Ų11687.5 Ų87.557%0.57147%0.467SS*.Hα-helixtrans-72.4-33.4173.6-72.2-162.4157.900113.4L297 A298 Q304 K305L297-M301 WeakPolarHBondContact O-CB 3.48Å; L297-M301 WeakPolarHBondContact O-CG 3.35Å; L297-M301 PolarHBondContact O-N 3Å; A298-M301 PolarHBondContact O-N 3.28Å; M301-Q304 PolarHBondContact O-N 2.76Å; M301-K305 PolarHBondContact O-N 3Å
302L54.9Low56.1Low106 Ų10690 Ų9056%0.55549%0.485SS*.Hα-helixtrans-69.1-38.3174.2-74.1166000112A298 Q304 K305 D306A298-L302 WeakPolarHBondContact O-CB 3.45Å; A298-L302 WeakPolarHBondContact O-CD1 3.43Å; A298-L302 WeakPolarHBondContact O-CG 3.16Å; A298-L302 PolarHBondContact O-N 3.47Å; L302-Q304 VanDerWaalsContact C-N 3.33Å; L302-Q304 PolarHBondContact O-N 2.93Å; L302-K305 WeakPolarHBondContact O-CB 3.44Å; L302-K305 PolarHBondContact O-N 3.21Å; L302-K305 VanDerWaalsContact O-N 3.14Å; L302-D306 PolarHBondContact O-N 2.84Å; L302-D306 VanDerWaalsContact O-N 3.11Å
303Q51.3Low54.8Low131 Ų13190 Ų9061%0.61248%0.48SS*.Hα-helixtrans-63.2-35.3174.5-78.8176.8-10.400113.1S299 K305 D306 Q307S299-Q303 WeakPolarHBondContact O-CG 3.41Å; S299-Q303 PolarHBondContact O-N 3.43Å; S299-Q303 VanDerWaalsContact O-N 3.14Å; Q303-K305 VanDerWaalsContact C-N 3.33Å; Q303-D306 PolarHBondContact O-N 2.52Å; Q303-Q307 PolarHBondContact O-N 3.13Å
304Q51Low53.7Low132 Ų13293.4 Ų93.462%0.61749%0.494SS*.Hα-helixtrans-68.2-32.1173.6-79.8-176.2-28.100112.7S300 M301 L302 Q307 S308S300-Q304 PolarHBondContact O-N 2.77Å; M301-Q304 PolarHBondContact O-N 2.76Å; L302-Q304 VanDerWaalsContact C-N 3.33Å; L302-Q304 PolarHBondContact O-N 2.93Å; Q304-Q307 PolarHBondContact O-N 3.01Å; Q304-S308 WeakPolarHBondContact O-CB 3.45Å; Q304-S308 PolarHBondContact O-N 3.41Å
305K49.8Very low51.9Low156 Ų15699 Ų9968%0.67852%0.522SS*.Hα-helixtrans-68.6-36.3175.1-158.5177.8-176.3-178.70111.8M301 L302 Q303 S309M301-K305 PolarHBondContact O-N 3Å; L302-K305 WeakPolarHBondContact O-CB 3.44Å; L302-K305 PolarHBondContact O-N 3.21Å; L302-K305 VanDerWaalsContact O-N 3.14Å; Q303-K305 VanDerWaalsContact C-N 3.33Å; K305-S309 WeakPolarHBondContact O-CB 3.37Å; K305-S309 PolarHBondContact O-N 2.86Å; K305-S309 VanDerWaalsContact O-N 3.08Å; K305-S309 PolarHBondContact O-OG 3.16Å
306D49.1Very low50.7Low110 Ų11096 Ų9659%0.58852%0.516SS*.Hα-helixtrans-73.4-28.7174.8-79.5-20.4000113.4L302 Q303 S309 T310L302-D306 PolarHBondContact O-N 2.84Å; L302-D306 VanDerWaalsContact O-N 3.11Å; Q303-D306 PolarHBondContact O-N 2.52Å; D306-S309 WeakPolarHBondContact CA-OG 3.43Å; D306-S309 PolarHBondContact O-OG 3.09Å; D306-T310 PolarHBondContact O-N 2.82Å; D306-T310 PolarHBondContact O-OG1 3.01Å
307Q45.2Very low50Low131 Ų13194.1 Ų94.161%0.61251%0.509SS*.Hα-helixtrans-75.9-37.8172.9-77.6177.6-12.600112.8Q303 Q304 T310 E311Q303-Q307 PolarHBondContact O-N 3.13Å; Q304-Q307 PolarHBondContact O-N 3.01Å; Q307-T310 WeakPolarHBondContact CA-OG1 3.34Å; Q307-T310 PolarHBondContact O-N 3.18Å; Q307-T310 PolarHBondContact O-OG1 3.39Å; Q307-T310 VanDerWaalsContact O-OG1 3.07Å; Q307-E311 PolarHBondContact O-N 3.28Å
308S45Very low49.3Very low71 Ų7199 Ų9950%0.49753%0.533SS..Hα-helixtrans-70.3-35.1175.3176.10000112.3Q304 T312Q304-S308 WeakPolarHBondContact O-CB 3.45Å; Q304-S308 PolarHBondContact O-N 3.41Å; S308-T312 PolarHBondContact O-N 3.22Å; S308-T312 PolarHBondContact O-OG1 3.36Å
309S46.5Very low48.5Very low51 Ų51104.4 Ų104.436%0.35755%0.551SS.*Hα-helixtrans-69.8-31.9175.167.90000112.6K305 D306 N313K305-S309 WeakPolarHBondContact O-CB 3.37Å; K305-S309 PolarHBondContact O-N 2.86Å; K305-S309 VanDerWaalsContact O-N 3.08Å; K305-S309 PolarHBondContact O-OG 3.16Å; D306-S309 WeakPolarHBondContact CA-OG 3.43Å; D306-S309 PolarHBondContact O-OG 3.09Å; S309-N313 VanDerWaalsContact O-CG 3.26Å; S309-N313 PolarHBondContact O-N 3.14Å; S309-N313 VanDerWaalsContact O-N 3.15Å; S309-N313 PolarHBondContact O-ND2 3.48Å
310T45.4Very low47.8Very low85 Ų85108 Ų10852%0.52156%0.559SS.*Hα-helixtrans-73.6-35.3174.829.40000113.4D306 Q307 N313 L314D306-T310 PolarHBondContact O-N 2.82Å; D306-T310 PolarHBondContact O-OG1 3.01Å; Q307-T310 WeakPolarHBondContact CA-OG1 3.34Å; Q307-T310 PolarHBondContact O-N 3.18Å; Q307-T310 PolarHBondContact O-OG1 3.39Å; Q307-T310 VanDerWaalsContact O-OG1 3.07Å; T310-N313 PolarHBondContact O-N 2.91Å; T310-L314 WeakPolarHBondContact O-CB 3.36Å; T310-L314 PolarHBondContact O-N 3.48Å
311E43.8Very low47.1Very low144 Ų144110.1 Ų110.167%0.67357%0.572SS**Hα-helixtrans-68.4-34.5173.1-79.7-174.9158.700112.8Q307 M315Q307-E311 PolarHBondContact O-N 3.28Å; E311-M315 PolarHBondContact O-N 2.91Å; E311-M315 VanDerWaalsContact O-N 3.08Å
312T44.5Very low46.5Very low90 Ų90111.8 Ų111.855%0.55258%0.583SS**Hα-helixtrans-70.2-36.9177.1-34.50000111S308 A316S308-T312 PolarHBondContact O-N 3.22Å; S308-T312 PolarHBondContact O-OG1 3.36Å; T312-A316 WeakPolarHBondContact O-CB 3.31Å; T312-A316 PolarHBondContact O-N 3.35Å
313N46.7Very low45.8Very low97 Ų97113.2 Ų113.252%0.51959%0.591SS.*Hα-helixtrans-70.7-39.6175-72.4-19000112.1S309 T310 M315 A316 D317S309-N313 VanDerWaalsContact O-CG 3.26Å; S309-N313 PolarHBondContact O-N 3.14Å; S309-N313 VanDerWaalsContact O-N 3.15Å; S309-N313 PolarHBondContact O-ND2 3.48Å; T310-N313 PolarHBondContact O-N 2.91Å; N313-M315 VanDerWaalsContact C-N 3.32Å; N313-M315 PolarHBondContact O-N 3.49Å; N313-A316 PolarHBondContact O-N 2.92Å; N313-D317 PolarHBondContact O-N 2.96Å
314L47.1Very low45.2Very low115 Ų115112.3 Ų112.360%0.60260%0.596SS**Hα-helixtrans-64.5-36.9176.3-156.578.7000111.9T310 I318T310-L314 WeakPolarHBondContact O-CB 3.36Å; T310-L314 PolarHBondContact O-N 3.48Å; L314-I318 HydrophobicContact CG-CD1 4.42Å; L314-I318 WeakPolarHBondContact O-CD1 3.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.5Å; L314-I318 PolarHBondContact O-N 3.2Å
315M40.5Very low44.8Very low117 Ų117115.4 Ų115.458%0.57661%0.61SS**Hα-helixtrans-70.7-36.2173.4-77.5-71-17100112.7E311 N313 F319E311-M315 PolarHBondContact O-N 2.91Å; E311-M315 VanDerWaalsContact O-N 3.08Å; N313-M315 VanDerWaalsContact C-N 3.32Å; N313-M315 PolarHBondContact O-N 3.49Å; M315-F319 WeakPolarHBondContact O-CD2 3.33Å; M315-F319 PolarHBondContact O-N 2.96Å; M315-F319 VanDerWaalsContact O-N 3.12Å; M315-F319 HydrophobicContact SD-CD2 4.44Å; M315-F319 HydrophobicContact SD-CE2 4.1Å
316A45Very low44.1Very low45 Ų45116.8 Ų116.837%0.37262%0.622SS.*Hα-helixtrans-66.6-40.4175.800000112.2T312 N313 I318 F319 F320T312-A316 WeakPolarHBondContact O-CB 3.31Å; T312-A316 PolarHBondContact O-N 3.35Å; N313-A316 PolarHBondContact O-N 2.92Å; A316-I318 PolarHBondContact O-N 3.03Å; A316-F319 PolarHBondContact O-N 3.19Å; A316-F320 PolarHBondContact O-N 3Å
317D49.4Very low43.4Very low116 Ų116120.6 Ų120.662%0.6264%0.636SS**Hα-helixtrans-69.2-30.1178-71.7-24.5000112.9N313N313-D317 PolarHBondContact O-N 2.96Å
318I50Low43.1Very low117 Ų117124.5 Ų124.560%0.665%0.651SS**Hα-helixtrans-77.6-37.6176.4-66.7168.7000111.8L314 A316L314-I318 HydrophobicContact CG-CD1 4.42Å; L314-I318 WeakPolarHBondContact O-CD1 3.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.5Å; L314-I318 PolarHBondContact O-N 3.2Å; A316-I318 PolarHBondContact O-N 3.03Å
319F40.5Very low42.5Very low146 Ų146124.8 Ų124.864%0.6467%0.665SS**Hα-helixtrans-91.1-19.5-176.5-82.4-85.9000114.3M315 A316M315-F319 WeakPolarHBondContact O-CD2 3.33Å; M315-F319 PolarHBondContact O-N 2.96Å; M315-F319 VanDerWaalsContact O-N 3.12Å; M315-F319 HydrophobicContact SD-CD2 4.44Å; M315-F319 HydrophobicContact SD-CE2 4.1Å; A316-F319 PolarHBondContact O-N 3.19Å
320F44.7Very low42Very low137 Ų137127.2 Ų127.260%0.60169%0.688SS**  trans-139.771.2-177.3-61.2-80000113.2A316 N322 L323A316-F320 PolarHBondContact O-N 3Å; F320-N322 PolarHBondContact O-N 3.39Å; F320-L323 HydrophobicContact CB-CD1 3.96Å; F320-L323 HydrophobicContact CD1-CD1 4.29Å; F320-L323 HydrophobicContact CG-CD1 4.28Å
321P41.3Very low41.6Very low100 Ų100126.7 Ų126.765%0.64970%0.7SS**THydrogen-bonded Turntrans-71.9-0.5-174.227.8-34.9000115.4
322N44.4Very low41.1Very low151 Ų151131.8 Ų131.881%0.80773%0.73SS**THydrogen-bonded Turntrans-143.150-171.4-73.5-48.3000113.7F320F320-N322 PolarHBondContact O-N 3.39Å
323L40.3Very low40.9Very low135 Ų135133.9 Ų133.971%0.70774%0.739SS**  trans-92.3124.9162.4-101.5125.1000109.6F320F320-L323 HydrophobicContact CB-CD1 3.96Å; F320-L323 HydrophobicContact CD1-CD1 4.29Å; F320-L323 HydrophobicContact CG-CD1 4.28Å
324P38.5Very low40.6Very low112 Ų112135.8 Ų135.873%0.72775%0.751SS**  trans-70.7136178.828-30.9000110.4M326P324-M326 PolarHBondContact O-N 3.34Å; P324-M326 VanDerWaalsContact O-N 3.1Å
325E44Very low40.3Very low197 Ų197137 Ų13792%0.92176%0.759SS**  trans-56.3112.4172.6-76.5-176.114400110E327E325-E327 PolarHBondContact O-N 3.16Å
326M33.1Very low40.3Very low186 Ų186138.2 Ų138.292%0.91677%0.77SS**  trans-76.2123.3166.3-96.5-175.764.300109.5P324P324-M326 PolarHBondContact O-N 3.34Å; P324-M326 VanDerWaalsContact O-N 3.1Å
327E34.5Very low40Very low189 Ų189144 Ų14488%0.88380%0.795SS**  trans-45.9141.1-176.8-70.8174.2130.200114.9E325 G329E325-E327 PolarHBondContact O-N 3.16Å; E327-G329 PolarHBondContact O-N 3.26Å; E327-G329 VanDerWaalsContact O-N 3.11Å
328K40.7Very low39.3Very low214 Ų214145.9 Ų145.993%0.9381%0.807SS**  trans-56.3111.1162.9-72.6177.2177174.70109.4
329G32.1Very low38.6Very low77 Ų77147.9 Ų147.979%0.79482%0.821SS**PPolyproline II helixtrans-63.1131.417400000112.2E327E327-G329 PolarHBondContact O-N 3.26Å; E327-G329 VanDerWaalsContact O-N 3.11Å
330A35.4Very low38.4Very low101 Ų101148.1 Ų148.184%0.83584%0.835SS**PPolyproline II helixtrans-55.6155.117600000113.7
331G36.4Very low37.9Very low75 Ų75149 Ų14977%0.77386%0.855SS**PPolyproline II helixtrans-72.6171-174.800000116.3
332L34Very low37.6Very low251 Ų251153.5 Ų153.5100%1.31487%0.873SS**  trans-145.50143.5-106.5156.3000107.4

Retrieved 332 of 332 residues in 63.7 ms (Link to these results)

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