A0A087YPP3_POEFO Loading...

Pleckstrin homology domain containing, family O member 1b

AlphaFold DB , UniProt , Accession A0A087YPP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 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
1T36.9Very low41.6Very low196 Ų196156.2 Ų156.2100%1.20285%0.847SS**  0117.60-9.30000108.9
2M33.1Very low41.7Very low183 Ų183154.8 Ų154.890%0.90185%0.852SS**  trans27.9108.8162-74.4168.8140.100121.8
3K45.8Very low41.9Very low181 Ų181153.1 Ų153.179%0.78785%0.848SS**  trans-31.8128.4135.4178.9174.2174174.20112.6N5K3-N5 WeakPolarHBondContact CE-OD1 3.42Å
4K51.2Low41.5Very low199 Ų199152.2 Ų152.287%0.86584%0.841SS**  trans-128.6101.6164.5-157.2171.6-175.2177.90110.5
5N39.4Very low41.6Very low125 Ų125150.8 Ų150.867%0.66884%0.842SS**  trans-65.8139.3164.1-62.7-8.9000108.8K3K3-N5 WeakPolarHBondContact CE-OD1 3.42Å
6S41.6Very low41.7Very low121 Ų121144.8 Ų144.885%0.84683%0.825SS**  trans-124.1104160.336.30000108.9G8S6-G8 PolarHBondContact O-N 3.3Å
7S45.6Very low41.8Very low122 Ų122147.1 Ų147.185%0.85383%0.827SS**  trans-78.1100.7169.537.30000109.4
8G37.7Very low41.7Very low78 Ų78149.1 Ų149.180%0.80483%0.828SS**  trans-93.2120.7165.300000110S6S6-G8 PolarHBondContact O-N 3.3Å
9K44.3Very low42.4Very low209 Ų209147.5 Ų147.591%0.90982%0.818SS**  trans-53.6130.9-171.2-71.1161.3173.8176.60113.7G11K9-G11 PolarHBondContact O-N 3.09Å
10R42.8Very low43.7Very low253 Ų253144.3 Ų144.396%0.95580%0.804SS**  trans-61110.7158.7-87.1-179-90.2178.5-5.7108.6
11G39.4Very low45.5Very low51 Ų51141.3 Ų141.353%0.52680%0.798SS.*PPolyproline II helixtrans-76.5155.8151.700000109.3K9 V13K9-G11 PolarHBondContact O-N 3.09Å; G11-V13 PolarHBondContact O-N 3.24Å
12P42.4Very low47.8Very low139 Ų139135 Ų13590%0.90376%0.76SS**PPolyproline II helixtrans-62.5119173.8-12.427.2000108.5D14P12-D14 PolarHBondContact O-N 3.47Å
13V44.6Very low50.5Low133 Ų133129.8 Ų129.881%0.80674%0.737SS**PPolyproline II helixtrans-73.1118.2168.3164.50000106.9G11G11-V13 PolarHBondContact O-N 3.24Å
14D35.7Very low52.8Low141 Ų141122.8 Ų122.875%0.75471%0.706SS**PPolyproline II helixtrans-50.5130171.5-136.6-14.1000110.5P12 G16P12-D14 PolarHBondContact O-N 3.47Å; D14-G16 PolarHBondContact O-N 3.25Å
15P43.4Very low54.9Low131 Ų131116.5 Ų116.585%0.85168%0.684SS**  trans-81.966.117534.7-32.5000109.5
16G42.8Very low57.5Low55 Ų55111 Ų11157%0.56766%0.658SS**  trans-134.5108.6-179.800000111.1D14D14-G16 PolarHBondContact O-N 3.25Å
17Q44.3Very low60Low184 Ų184109.3 Ų109.386%0.8663%0.633SS**  trans66.860177.4-68.4178.3-68.500116.5N19Q17-N19 VanDerWaalsContact C-N 3.32Å; Q17-N19 PolarHBondContact O-N 3.27Å; Q17-N19 VanDerWaalsContact O-N 3.1Å
18Q40.2Very low62.4Low183 Ų183103.7 Ų103.786%0.85559%0.593SS**  trans-67.9103.2141.8-67-174.625.400106.3P20Q18-P20 WeakPolarHBondContact O-CD 3.35Å; Q18-P20 VanDerWaalsContact O-N 3.1Å
19N54.7Low65.1Low118 Ų118105.7 Ų105.763%0.63158%0.577SS**  trans-64.2107.3162.4-108.7-42.4000105.3Q17 A21 K49Q17-N19 VanDerWaalsContact C-N 3.32Å; Q17-N19 PolarHBondContact O-N 3.27Å; Q17-N19 VanDerWaalsContact O-N 3.1Å; N19-A21 PolarHBondContact O-N 3.11Å; N19-K49 PolarHBondContact OD1-NZ 3.43Å
20P68.9Low67.5Low83 Ų8396.7 Ų96.754%0.53954%0.537SS..PPolyproline II helixtrans-59.1140.4-17922.9-30.1000108.3Q18 K49Q18-P20 WeakPolarHBondContact O-CD 3.35Å; Q18-P20 VanDerWaalsContact O-N 3.1Å; P20-K49 VanDerWaalsContact CG-CE 3.48Å; P20-K49 WeakPolarHBondContact O-CE 3.41Å
21A80.4Confident69.9Low83 Ų8387.5 Ų87.569%0.68650%0.504SS*.PPolyproline II helixtrans-53.6141.1176.200000109.2N19N19-A21 PolarHBondContact O-N 3.11Å
22P86.1Confident72.2Confident62 Ų6287.9 Ų87.940%0.40350%0.498SS..PPolyproline II helixtrans-63.9141.1178.327-33.8000110.6K24 T25 V47 L48P22-K24 VanDerWaalsContact C-N 3.28Å; P22-K24 PolarHBondContact O-N 3.07Å; P22-T25 HydrophobicContact CB-CG2 3.67Å; P22-T25 HydrophobicContact CG-CG2 3.5Å; P22-V47 HydrophobicContact CB-CG1 3.48Å; P22-V47 VanDerWaalsContact CB-CG1 3.48Å; P22-V47 HydrophobicContact CG-CG1 4.28Å; P22-L48 CarbonylContact C-O 3.52Å; P22-L48 WeakPolarHBondContact CA-O 3.44Å; P22-L48 WeakPolarHBondContact CB-O 3.48Å
23D89.6Confident74.3Confident75 Ų7582.3 Ų82.340%0.40147%0.466SS..SBendtrans-64-37.9179.8-64.7-52.1000111.1L48 G50 R133D23-L48 HydrophobicContact CB-CD2 4.23Å; D23-L48 HydrophobicContact CB-CG 4.15Å; D23-L48 PolarHBondContact N-O 3.24Å; D23-G50 PolarHBondContact OD2-N 2.93Å; D23-R133 IonicContact OD2-NH1 3.42Å
24K93.9Very high76.2Confident33 Ų3384.3 Ų84.314%0.14346%0.464CS..EExtended strand (participates in β ladder)trans-156.6143174.6-169.4173.5179.7179.80111.2P22 L48 S122 W123 I126P22-K24 VanDerWaalsContact C-N 3.28Å; P22-K24 PolarHBondContact O-N 3.07Å; K24-L48 HydrophobicContact CB-CB 4.45Å; K24-L48 PolarHBondContact N-O 2.83Å; K24-L48 PolarHBondContact O-N 2.93Å; K24-S122 VanDerWaalsContact NZ-C 3.29Å; K24-S122 PolarHBondContact NZ-OG 3Å; K24-W123 HydrophobicContact CB-CH2 4.2Å; K24-W123 HydrophobicContact CB-CZ3 4.15Å; K24-W123 HydrophobicContact CD-CD2 3.79Å; K24-W123 HydrophobicContact CD-CE3 3.82Å; K24-W123 HydrophobicContact CD-CG 4.43Å; K24-W123 HydrophobicContact CD-CH2 4.08Å; K24-W123 HydrophobicContact CD-CZ2 4.04Å; K24-W123 HydrophobicContact CD-CZ3 3.97Å; K24-W123 VanDerWaalsContact CE-CE2 3.46Å; K24-W123 HydrophobicContact CG-CE3 4.39Å; K24-W123 HydrophobicContact CG-CH2 3.81Å; K24-W123 HydrophobicContact CG-CZ2 3.96Å; K24-W123 HydrophobicContact CG-CZ3 4.03Å; K24-W123 VanDerWaalsContact NZ-N 3.17Å; K24-I126 HydrophobicContact CB-CG1 4.48Å; K24-I126 HydrophobicContact CB-CG2 4.23Å; K24-I126 HydrophobicContact CD-CG2 3.73Å
25T94.4Very high78.2Confident67 Ų6778.8 Ų78.841%0.41144%0.441SS..EExtended strand (participates in β ladder)trans-134.9149.1173.160.10000111.1P22 F45 V46 V47P22-T25 HydrophobicContact CB-CG2 3.67Å; P22-T25 HydrophobicContact CG-CG2 3.5Å; T25-F45 HydrophobicContact CG2-CZ 4.46Å; T25-V46 CarbonylContact C-O 3.56Å; T25-V46 VanDerWaalsContact CA-O 3.27Å; T25-V46 WeakPolarHBondContact CA-O 3.42Å; T25-V47 HydrophobicContact CG2-CB 4.06Å; T25-V47 HydrophobicContact CG2-CG1 3.68Å; T25-V47 HydrophobicContact CG2-CG2 3.76Å
26G94.1Very high79.7Confident11 Ų1180.1 Ų80.111%0.11344%0.439CS..EExtended strand (participates in β ladder)trans173.9168.5174.200000114.2V46G26-V46 PolarHBondContact N-O 3.29Å; G26-V46 PolarHBondContact O-N 2.93Å
27W94.7Very high81.1Confident84 Ų8486.5 Ų86.532%0.31845%0.452SS..EExtended strand (participates in β ladder)trans-85.2123.6177.3-73.497.2000110.8N43 F45 E59W27-N43 VanDerWaalsContact CE3-ND2 3.32Å; W27-F45 AromaticContact CD1-CD2 3.92Å; W27-F45 HydrophobicContact CD2-CB 4.24Å; W27-F45 HydrophobicContact CD2-CD2 4.01Å; W27-F45 AromaticContact CE2-CD2 3.79Å; W27-F45 HydrophobicContact CE3-CB 4.1Å; W27-F45 HydrophobicContact CG-CD2 4.13Å; W27-F45 HydrophobicContact CH2-CB 4.16Å; W27-F45 HydrophobicContact CZ2-CB 4.28Å; W27-F45 HydrophobicContact CZ2-CD2 4.34Å; W27-F45 HydrophobicContact CZ3-CB 4.06Å; W27-F45 AromaticContact NE1-CD2 3.69Å; W27-E59 HydrophobicContact CZ2-CB 3.91Å
28I95.1Very high83Confident4 Ų487.7 Ų87.72%0.02145%0.448CS..EExtended strand (participates in β ladder)trans-132.2142.9178.2-48.9177.8000109.2K30 N43 R44 V46 F95 F112 L113 W123I28-K30 PolarHBondContact O-N 3.47Å; I28-N43 PolarHBondContact O-OD1 3.35Å; I28-R44 PolarHBondContact N-O 3.35Å; I28-R44 PolarHBondContact O-N 3.14Å; I28-R44 VanDerWaalsContact O-O 3.05Å; I28-V46 HydrophobicContact CB-CG2 4.06Å; I28-V46 HydrophobicContact CD1-CB 4Å; I28-V46 HydrophobicContact CD1-CG1 4.34Å; I28-V46 HydrophobicContact CD1-CG2 3.93Å; I28-V46 HydrophobicContact CG1-CB 4.37Å; I28-V46 HydrophobicContact CG1-CG2 4.1Å; I28-F95 HydrophobicContact CD1-CZ 4.2Å; I28-F95 HydrophobicContact CG2-CE1 4.28Å; I28-F95 HydrophobicContact CG2-CZ 4.33Å; I28-F112 HydrophobicContact CG2-CB 3.77Å; I28-F112 HydrophobicContact CG2-CD1 3.99Å; I28-F112 HydrophobicContact CG2-CG 4.23Å; I28-L113 WeakPolarHBondContact CG2-O 3.41Å; I28-W123 HydrophobicContact CD1-CD2 3.53Å; I28-W123 HydrophobicContact CD1-CE3 4.09Å; I28-W123 HydrophobicContact CD1-CG 3.89Å; I28-W123 HydrophobicContact CD1-CH2 4.19Å; I28-W123 HydrophobicContact CD1-CZ2 3.65Å; I28-W123 HydrophobicContact CD1-CZ3 4.38Å; I28-W123 HydrophobicContact CG1-CZ2 4.16Å
29R94.4Very high85.3Confident121 Ų12183.4 Ų83.446%0.45743%0.428SS..EExtended strand (participates in β ladder)trans-81.3116.5170.6-76.4-179.2-85.7-173.1-8.4109.9W41 K42 F112 L113R29-W41 HydrophobicContact CB-CE3 4.1Å; R29-W41 WeakPolarHBondContact O-CZ3 3.5Å; R29-K42 CarbonylContact C-O 3.53Å; R29-K42 WeakPolarHBondContact CA-O 3.43Å; R29-F112 CarbonylContact O-C 3.53Å; R29-F112 WeakPolarHBondContact O-CA 3.4Å; R29-L113 HydrophobicContact CB-CB 4.07Å; R29-L113 PolarHBondContact N-O 3.12Å; R29-L113 PolarHBondContact O-N 3.13Å
30K94.7Very high86.9Confident19 Ų1981.2 Ų81.28%0.08342%0.416CS..EExtended strand (participates in β ladder)trans-92.2135.7174.4-169.1-170.6-168.9-140.60110.5I28 W41 K42 R44 I55 E68 Q110 F112I28-K30 PolarHBondContact O-N 3.47Å; K30-W41 WeakPolarHBondContact O-CA 3.27Å; K30-K42 PolarHBondContact N-O 2.98Å; K30-K42 PolarHBondContact O-N 2.88Å; K30-R44 HydrophobicContact CB-CG 4.12Å; K30-I55 HydrophobicContact CD-CD1 4.03Å; K30-I55 HydrophobicContact CD-CG2 4.39Å; K30-E68 IonicContact NZ-OE1 2.79Å; K30-E68 PolarHBondContact NZ-OE1 3.21Å; K30-E68 IonicContact NZ-OE2 2.83Å; K30-E68 PolarHBondContact NZ-OE2 3.01Å; K30-Q110 VanDerWaalsContact NZ-OE1 3.13Å; K30-F112 HydrophobicContact CB-CD1 4.15Å; K30-F112 HydrophobicContact CB-CE1 4.08Å; K30-F112 HydrophobicContact CD-CE1 4.31Å; K30-F112 HydrophobicContact CG-CD1 4.12Å; K30-F112 HydrophobicContact CG-CE1 3.72Å
31F93.1Very high88Confident61 Ų6180.4 Ų80.427%0.26840%0.402SS..EExtended strand (participates in β ladder)trans-74.8124.9170.6-179.2-106.8000110.4G33 E39 W41 V111F31-G33 WeakPolarHBondContact CE2-O 3.22Å; F31-G33 VanDerWaalsContact CZ-CA 3.5Å; F31-G33 WeakPolarHBondContact CZ-O 3.46Å; F31-E39 HydrophobicContact CD2-CB 4.45Å; F31-E39 HydrophobicContact CE2-CB 3.85Å; F31-E39 HydrophobicContact CE2-CG 3.86Å; F31-W41 HydrophobicContact CB-CD2 4.3Å; F31-W41 HydrophobicContact CB-CE3 4.01Å; F31-W41 HydrophobicContact CB-CH2 3.98Å; F31-W41 HydrophobicContact CB-CZ2 4.19Å; F31-W41 HydrophobicContact CB-CZ3 3.84Å; F31-W41 HydrophobicContact CD2-CD2 4.25Å; F31-W41 AromaticContact CD2-CE2 3.76Å; F31-W41 AromaticContact CD2-CZ2 3.94Å; F31-W41 HydrophobicContact CD2-CZ2 3.94Å; F31-W41 AromaticContact CD2-NE1 3.89Å; F31-W41 HydrophobicContact CG-CZ2 4.45Å; F31-V111 HydrophobicContact CB-CB 3.86Å; F31-V111 HydrophobicContact CB-CG1 4.23Å; F31-V111 WeakPolarHBondContact CB-O 3.39Å; F31-V111 HydrophobicContact CG-CB 4.45Å; F31-V111 PolarHBondContact N-O 2.89Å
32C88.4Confident88.6Confident58 Ų5881.2 Ų81.239%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-111.111.9-178.5-610000113.1I40C32-I40 HydrophobicContact CB-CB 4.45Å; C32-I40 HydrophobicContact CB-CG2 4.08Å; C32-I40 PolarHBondContact N-O 3.33Å
33G86.7Confident89Confident23 Ų2382.4 Ų82.424%0.23739%0.393CS..EExtended strand (participates in β ladder)trans114.2-174.4-179.900000113.3F31 I40F31-G33 WeakPolarHBondContact CE2-O 3.22Å; F31-G33 VanDerWaalsContact CZ-CA 3.5Å; F31-G33 WeakPolarHBondContact CZ-O 3.46Å; G33-I40 PolarHBondContact O-N 3.26Å
34K85.4Confident89.3Confident174 Ų17480.4 Ų80.476%0.75738%0.38SS*.EExtended strand (participates in β ladder)trans-107.8112.4-178.6-157.7164.1-178.9179.30108.1
35G77.6Confident89.3Confident26 Ų2679.4 Ų79.427%0.26838%0.375SS..  trans-74.7176.2172.300000111.2F37 R38G35-F37 PolarHBondContact O-N 3.36Å; G35-F37 VanDerWaalsContact O-N 3.11Å; G35-R38 WeakPolarHBondContact CA-O 3.46Å; G35-R38 PolarHBondContact N-O 2.89Å
36I75.1Confident89.3Confident159 Ų15976.3 Ų76.382%0.81536%0.356SS*.SBendtrans-56.5-32.4-175.6-56.5169.6000111.9
37F71.5Confident89.3Confident189 Ų18976 Ų7683%0.82935%0.352SS*.SBendtrans-119.6-20.6-176.7-60.9-74.6000115G35G35-F37 PolarHBondContact O-N 3.36Å; G35-F37 VanDerWaalsContact O-N 3.11Å
38R84.3Confident89.3Confident208 Ų20872 Ų7279%0.78534%0.337SS*.SBendtrans-155.8161.4-174.5-63.6-171.7179.3-137.5-3.1112.5G35G35-R38 WeakPolarHBondContact CA-O 3.46Å; G35-R38 PolarHBondContact N-O 2.89Å
39E87.3Confident89.2Confident93 Ų9373.6 Ų73.644%0.43534%0.344SS..EExtended strand (participates in β ladder)trans-60.3134.2165.5-69.5-175.4-179.800110.7F31 W41F31-E39 HydrophobicContact CD2-CB 4.45Å; F31-E39 HydrophobicContact CE2-CB 3.85Å; F31-E39 HydrophobicContact CE2-CG 3.86Å; E39-W41 PolarHBondContact OE2-NE1 2.85Å
40I89.4Confident89Confident73 Ų7369.2 Ų69.237%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-96.5118.6179.3-57.6171.3000108.3C32 G33 K42C32-I40 HydrophobicContact CB-CB 4.45Å; C32-I40 HydrophobicContact CB-CG2 4.08Å; C32-I40 PolarHBondContact N-O 3.33Å; G33-I40 PolarHBondContact O-N 3.26Å; I40-K42 HydrophobicContact CG2-CG 4.49Å
41W92.3Very high88.9Confident66 Ų6670 Ų7025%0.2534%0.342CS..EExtended strand (participates in β ladder)trans-121.2123.5176.8-69.687.3000108.9R29 K30 F31 E39 K94 V111 L113R29-W41 HydrophobicContact CB-CE3 4.1Å; R29-W41 WeakPolarHBondContact O-CZ3 3.5Å; K30-W41 WeakPolarHBondContact O-CA 3.27Å; F31-W41 HydrophobicContact CB-CD2 4.3Å; F31-W41 HydrophobicContact CB-CE3 4.01Å; F31-W41 HydrophobicContact CB-CH2 3.98Å; F31-W41 HydrophobicContact CB-CZ2 4.19Å; F31-W41 HydrophobicContact CB-CZ3 3.84Å; F31-W41 HydrophobicContact CD2-CD2 4.25Å; F31-W41 AromaticContact CD2-CE2 3.76Å; F31-W41 AromaticContact CD2-CZ2 3.94Å; F31-W41 HydrophobicContact CD2-CZ2 3.94Å; F31-W41 AromaticContact CD2-NE1 3.89Å; F31-W41 HydrophobicContact CG-CZ2 4.45Å; E39-W41 PolarHBondContact OE2-NE1 2.85Å; W41-K94 HydrophobicContact CH2-CD 4.33Å; W41-K94 HydrophobicContact CH2-CG 4.34Å; W41-V111 HydrophobicContact CH2-CG1 3.69Å; W41-V111 HydrophobicContact CZ2-CG1 4.44Å; W41-V111 HydrophobicContact CZ3-CG1 4.39Å; W41-L113 HydrophobicContact CE3-CB 4.12Å; W41-L113 HydrophobicContact CH2-CB 4.02Å; W41-L113 HydrophobicContact CZ3-CB 3.6Å
42K93.4Very high88.9Confident100 Ų10071.3 Ų71.344%0.43535%0.349SS..EExtended strand (participates in β ladder)trans-109.3138176.6-67.1-171.4178-174.70109.8R29 K30 I40R29-K42 CarbonylContact C-O 3.53Å; R29-K42 WeakPolarHBondContact CA-O 3.43Å; K30-K42 PolarHBondContact N-O 2.98Å; K30-K42 PolarHBondContact O-N 2.88Å; I40-K42 HydrophobicContact CG2-CG 4.49Å
43N94.3Very high89.2Confident87 Ų8768.6 Ų68.647%0.46533%0.33SS..EExtended strand (participates in β ladder)trans-74.6128170.5-16321.1000108.5W27 I28W27-N43 VanDerWaalsContact CE3-ND2 3.32Å; I28-N43 PolarHBondContact O-OD1 3.35Å
44R94.7Very high89.5Confident33 Ų3368.4 Ų68.413%0.12532%0.323CS..EExtended strand (participates in β ladder)trans-134139.2179.7-62.2-65.9-170.2-170.93.5108.9I28 K30 I55 C56 E57 D67I28-R44 PolarHBondContact N-O 3.35Å; I28-R44 PolarHBondContact O-N 3.14Å; I28-R44 VanDerWaalsContact O-O 3.05Å; K30-R44 HydrophobicContact CB-CG 4.12Å; R44-I55 HydrophobicContact CB-CG2 3.5Å; R44-I55 HydrophobicContact CG-CG2 3.68Å; R44-C56 CarbonylContact C-O 3.46Å; R44-C56 VanDerWaalsContact CA-O 3.27Å; R44-C56 WeakPolarHBondContact CA-O 3.35Å; R44-C56 WeakPolarHBondContact CB-O 3.38Å; R44-E57 IonicContact CZ-OE2 3.52Å; R44-E57 VanDerWaalsContact NH1-CG 3.27Å; R44-E57 IonicContact NH1-OE2 3.09Å; R44-E57 PolarHBondContact NH1-OE2 2.95Å; R44-E57 IonicContact NH2-OE2 3.28Å; R44-D67 IonicContact NH1-OD2 2.73Å
45F94.1Very high90Very high11 Ų1160.2 Ų60.25%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-80.7121.4169.6-171.1-106.3000108.4T25 W27 V47 C56 K58 E59T25-F45 HydrophobicContact CG2-CZ 4.46Å; W27-F45 AromaticContact CD1-CD2 3.92Å; W27-F45 HydrophobicContact CD2-CB 4.24Å; W27-F45 HydrophobicContact CD2-CD2 4.01Å; W27-F45 AromaticContact CE2-CD2 3.79Å; W27-F45 HydrophobicContact CE3-CB 4.1Å; W27-F45 HydrophobicContact CG-CD2 4.13Å; W27-F45 HydrophobicContact CH2-CB 4.16Å; W27-F45 HydrophobicContact CZ2-CB 4.28Å; W27-F45 HydrophobicContact CZ2-CD2 4.34Å; W27-F45 HydrophobicContact CZ3-CB 4.06Å; W27-F45 AromaticContact NE1-CD2 3.69Å; F45-V47 HydrophobicContact CD1-CG2 3.7Å; F45-V47 HydrophobicContact CE1-CG2 3.37Å; F45-V47 HydrophobicContact CZ-CG2 4.35Å; F45-C56 HydrophobicContact CB-CB 4.4Å; F45-C56 PolarHBondContact N-O 3.44Å; F45-C56 PolarHBondContact O-N 3.12Å; F45-K58 WeakPolarHBondContact CB-O 3.22Å; F45-E59 HydrophobicContact CD1-CG 4.42Å; F45-E59 HydrophobicContact CD2-CB 4.2Å; F45-E59 HydrophobicContact CD2-CG 4.14Å; F45-E59 HydrophobicContact CE1-CG 4.1Å; F45-E59 HydrophobicContact CE2-CB 4.37Å; F45-E59 HydrophobicContact CE2-CG 3.81Å; F45-E59 HydrophobicContact CG-CB 4.28Å; F45-E59 HydrophobicContact CG-CG 4.43Å; F45-E59 HydrophobicContact CZ-CG 3.78Å
46V94.6Very high90.6Very high2 Ų259 Ų591%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-110.3133.7-175.3-177.90000108.9T25 G26 I28 L53 F54 I55 W123T25-V46 CarbonylContact C-O 3.56Å; T25-V46 VanDerWaalsContact CA-O 3.27Å; T25-V46 WeakPolarHBondContact CA-O 3.42Å; G26-V46 PolarHBondContact N-O 3.29Å; G26-V46 PolarHBondContact O-N 2.93Å; I28-V46 HydrophobicContact CB-CG2 4.06Å; I28-V46 HydrophobicContact CD1-CB 4Å; I28-V46 HydrophobicContact CD1-CG1 4.34Å; I28-V46 HydrophobicContact CD1-CG2 3.93Å; I28-V46 HydrophobicContact CG1-CB 4.37Å; I28-V46 HydrophobicContact CG1-CG2 4.1Å; V46-L53 HydrophobicContact CG1-CD1 3.36Å; V46-L53 HydrophobicContact CG1-CD2 4.31Å; V46-L53 HydrophobicContact CG1-CG 3.86Å; V46-F54 CarbonylContact C-O 3.56Å; V46-F54 VanDerWaalsContact CA-O 3.3Å; V46-F54 WeakPolarHBondContact CA-O 3.45Å; V46-I55 HydrophobicContact CG2-CG1 4.41Å; V46-W123 HydrophobicContact CB-CH2 4.13Å; V46-W123 HydrophobicContact CG1-CH2 4Å; V46-W123 HydrophobicContact CG1-CZ3 4.1Å
47V94.3Very high91.4Very high4 Ų456.9 Ų56.92%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-127.5119.2177.9179.90000109.1P22 T25 F45 F54 L63P22-V47 HydrophobicContact CB-CG1 3.48Å; P22-V47 VanDerWaalsContact CB-CG1 3.48Å; P22-V47 HydrophobicContact CG-CG1 4.28Å; T25-V47 HydrophobicContact CG2-CB 4.06Å; T25-V47 HydrophobicContact CG2-CG1 3.68Å; T25-V47 HydrophobicContact CG2-CG2 3.76Å; F45-V47 HydrophobicContact CD1-CG2 3.7Å; F45-V47 HydrophobicContact CE1-CG2 3.37Å; F45-V47 HydrophobicContact CZ-CG2 4.35Å; V47-F54 HydrophobicContact CB-CB 4.27Å; V47-F54 PolarHBondContact N-O 2.92Å; V47-F54 WeakPolarHBondContact O-CD2 3.28Å; V47-F54 PolarHBondContact O-N 3.43Å; V47-L63 HydrophobicContact CB-CD2 3.9Å; V47-L63 HydrophobicContact CG1-CD2 3.63Å; V47-L63 HydrophobicContact CG2-CD2 4.31Å
48L94.3Very high92Very high0 Ų055.1 Ų55.10%025%0.253CS..EExtended strand (participates in β ladder)trans-94126.8170.9177.263.4000108.9P22 D23 K24 L53 L72 W123 I126 L127 A130P22-L48 CarbonylContact C-O 3.52Å; P22-L48 WeakPolarHBondContact CA-O 3.44Å; P22-L48 WeakPolarHBondContact CB-O 3.48Å; D23-L48 HydrophobicContact CB-CD2 4.23Å; D23-L48 HydrophobicContact CB-CG 4.15Å; D23-L48 PolarHBondContact N-O 3.24Å; K24-L48 HydrophobicContact CB-CB 4.45Å; K24-L48 PolarHBondContact N-O 2.83Å; K24-L48 PolarHBondContact O-N 2.93Å; L48-L53 HydrophobicContact CB-CD1 3.95Å; L48-L53 HydrophobicContact CD1-CD1 4.17Å; L48-L72 HydrophobicContact CD1-CD1 3.56Å; L48-W123 HydrophobicContact CB-CZ3 4.35Å; L48-I126 HydrophobicContact CD2-CB 4.16Å; L48-I126 HydrophobicContact CD2-CG1 3.55Å; L48-I126 HydrophobicContact CD2-CG2 3.7Å; L48-L127 HydrophobicContact CD1-CD2 4.29Å; L48-L127 HydrophobicContact CD2-CD2 4.39Å; L48-A130 HydrophobicContact CD1-CB 4.08Å; L48-A130 HydrophobicContact CD2-CB 4.17Å
49K92.6Very high92.1Very high39 Ų3951.7 Ų51.717%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-142.9111.6175.3-178.5-177.9175.7-167.70110.2N19 P20 D51 Q52 F54 L63N19-K49 PolarHBondContact OD1-NZ 3.43Å; P20-K49 VanDerWaalsContact CG-CE 3.48Å; P20-K49 WeakPolarHBondContact O-CE 3.41Å; K49-D51 PolarHBondContact O-N 3.35Å; K49-Q52 PolarHBondContact N-O 3.11Å; K49-Q52 PolarHBondContact O-N 2.77Å; K49-F54 HydrophobicContact CB-CE2 4.18Å; K49-L63 HydrophobicContact CB-CD1 4.36Å; K49-L63 HydrophobicContact CD-CD1 3.26Å; K49-L63 HydrophobicContact CG-CD1 4.46Å
50G90Very high91.4Very high29 Ų2948.7 Ų48.730%0.29924%0.235SC..THydrogen-bonded Turntrans62.1-118.6-17600000109.9D23D23-G50 PolarHBondContact OD2-N 2.93Å
51D92.8Very high90.3Very high36 Ų3655.6 Ų55.619%0.19326%0.262CS..THydrogen-bonded Turntrans-1025.8-175.7-56.2-21.9000112.5K49 L72 A134K49-D51 PolarHBondContact O-N 3.35Å; D51-L72 WeakPolarHBondContact O-CB 3.44Å; D51-L72 VanDerWaalsContact O-CG 3.24Å; D51-L72 WeakPolarHBondContact O-CG 3.4Å; D51-L72 PolarHBondContact O-N 3.44Å; D51-A134 HydrophobicContact CB-CB 3.73Å
52Q93.8Very high89.1Confident87 Ų8758.3 Ų58.341%0.40728%0.277SS..EExtended strand (participates in β ladder)trans-117139.8-177.7-65.8179.7400111.7K49 F54 V69 L70K49-Q52 PolarHBondContact N-O 3.11Å; K49-Q52 PolarHBondContact O-N 2.77Å; Q52-F54 HydrophobicContact CB-CD2 4.46Å; Q52-F54 HydrophobicContact CB-CE2 3.69Å; Q52-F54 HydrophobicContact CB-CZ 3.97Å; Q52-F54 VanDerWaalsContact OE1-CZ 3.24Å; Q52-V69 HydrophobicContact CB-CG1 4.45Å; Q52-L70 WeakPolarHBondContact CA-O 3.23Å
53L95.1Very high87.9Confident2 Ų255.3 Ų55.31%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-113.4114.1175.9-173.571.6000110V46 L48 L70 L72 L97 W123 L127V46-L53 HydrophobicContact CG1-CD1 3.36Å; V46-L53 HydrophobicContact CG1-CD2 4.31Å; V46-L53 HydrophobicContact CG1-CG 3.86Å; L48-L53 HydrophobicContact CB-CD1 3.95Å; L48-L53 HydrophobicContact CD1-CD1 4.17Å; L53-L70 HydrophobicContact CB-CB 4.2Å; L53-L70 HydrophobicContact CD2-CD1 4.29Å; L53-L70 PolarHBondContact N-O 3.15Å; L53-L70 PolarHBondContact O-N 3.1Å; L53-L72 HydrophobicContact CB-CD2 4.17Å; L53-L97 HydrophobicContact CD2-CD2 4.43Å; L53-W123 HydrophobicContact CD1-CZ3 4.47Å; L53-L127 HydrophobicContact CD1-CD2 3.91Å; L53-L127 HydrophobicContact CD2-CD2 3.97Å; L53-L127 HydrophobicContact CG-CD2 4.47Å
54F93.7Very high86.5Confident19 Ų1955 Ų558%0.08328%0.283CS..EExtended strand (participates in β ladder)trans-96135.6-179.8-58.5-96.4000110.1V46 V47 K49 Q52 L63 A66 V69V46-F54 CarbonylContact C-O 3.56Å; V46-F54 VanDerWaalsContact CA-O 3.3Å; V46-F54 WeakPolarHBondContact CA-O 3.45Å; V47-F54 HydrophobicContact CB-CB 4.27Å; V47-F54 PolarHBondContact N-O 2.92Å; V47-F54 WeakPolarHBondContact O-CD2 3.28Å; V47-F54 PolarHBondContact O-N 3.43Å; K49-F54 HydrophobicContact CB-CE2 4.18Å; Q52-F54 HydrophobicContact CB-CD2 4.46Å; Q52-F54 HydrophobicContact CB-CE2 3.69Å; Q52-F54 HydrophobicContact CB-CZ 3.97Å; Q52-F54 VanDerWaalsContact OE1-CZ 3.24Å; F54-L63 HydrophobicContact CB-CD2 4.09Å; F54-L63 HydrophobicContact CD1-CB 4.19Å; F54-L63 HydrophobicContact CD1-CD2 4.24Å; F54-L63 HydrophobicContact CD2-CD1 4.32Å; F54-L63 HydrophobicContact CD2-CD2 3.84Å; F54-L63 HydrophobicContact CE1-CB 4.1Å; F54-L63 HydrophobicContact CE2-CD1 4.03Å; F54-L63 HydrophobicContact CE2-CD2 4.36Å; F54-L63 HydrophobicContact CG-CD2 3.79Å; F54-L63 HydrophobicContact CZ-CB 4.39Å; F54-L63 HydrophobicContact CZ-CD1 4.26Å; F54-A66 HydrophobicContact CB-CB 4.05Å; F54-A66 HydrophobicContact CD1-CB 3.73Å; F54-A66 HydrophobicContact CG-CB 4.39Å; F54-V69 HydrophobicContact CD1-CB 4.42Å; F54-V69 HydrophobicContact CD1-CG1 4.05Å; F54-V69 HydrophobicContact CD1-CG2 3.68Å; F54-V69 HydrophobicContact CE1-CB 4.5Å; F54-V69 HydrophobicContact CE1-CG1 3.8Å; F54-V69 HydrophobicContact CE1-CG2 3.87Å; F54-V69 HydrophobicContact CZ-CG1 4.29Å
55I93.9Very high85.4Confident1 Ų162 Ų621%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-123.1122.3178.3-55.9-179.7000108.3K30 R44 V46 D67 E68 L70 F112K30-I55 HydrophobicContact CD-CD1 4.03Å; K30-I55 HydrophobicContact CD-CG2 4.39Å; R44-I55 HydrophobicContact CB-CG2 3.5Å; R44-I55 HydrophobicContact CG-CG2 3.68Å; V46-I55 HydrophobicContact CG2-CG1 4.41Å; I55-D67 PolarHBondContact O-N 3.39Å; I55-E68 HydrophobicContact CB-CB 4.21Å; I55-E68 PolarHBondContact N-O 3.17Å; I55-E68 PolarHBondContact O-N 2.91Å; I55-E68 VanDerWaalsContact O-N 3.15Å; I55-L70 HydrophobicContact CD1-CD1 3.76Å; I55-L70 HydrophobicContact CD1-CG 4.41Å; I55-F112 HydrophobicContact CD1-CE1 4.12Å; I55-F112 HydrophobicContact CD1-CZ 4.05Å
56C91.6Very high84.8Confident2 Ų262.7 Ų62.71%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-125.7150.1-174.9-54.40000110.8R44 F45 K58 V60 D67R44-C56 CarbonylContact C-O 3.46Å; R44-C56 VanDerWaalsContact CA-O 3.27Å; R44-C56 WeakPolarHBondContact CA-O 3.35Å; R44-C56 WeakPolarHBondContact CB-O 3.38Å; F45-C56 HydrophobicContact CB-CB 4.4Å; F45-C56 PolarHBondContact N-O 3.44Å; F45-C56 PolarHBondContact O-N 3.12Å; C56-K58 VanDerWaalsContact CB-O 3.28Å; C56-K58 WeakPolarHBondContact CB-O 3.44Å; C56-V60 HydrophobicContact CB-CG2 3.93Å; C56-D67 WeakPolarHBondContact CA-OD2 3.35Å
57E90.6Very high84.3Confident113 Ų11367.4 Ų67.453%0.52834%0.343SS..SBendtrans-72.3-36173.1-169.7155.1145.700112.7R44 D67R44-E57 IonicContact CZ-OE2 3.52Å; R44-E57 VanDerWaalsContact NH1-CG 3.27Å; R44-E57 IonicContact NH1-OE2 3.09Å; R44-E57 PolarHBondContact NH1-OE2 2.95Å; R44-E57 IonicContact NH2-OE2 3.28Å; E57-D67 WeakPolarHBondContact CB-OD2 3.41Å; E57-D67 PolarHBondContact N-OD2 3.37Å
58K86Confident84.1Confident152 Ų15270 Ų7066%0.66136%0.355SS*.SBendtrans-112.8162.4-179-63.4-179.5-177.7177.40109.5F45 C56 V60F45-K58 WeakPolarHBondContact CB-O 3.22Å; C56-K58 VanDerWaalsContact CB-O 3.28Å; C56-K58 WeakPolarHBondContact CB-O 3.44Å; K58-V60 HydrophobicContact CB-CG2 4.42Å; K58-V60 VanDerWaalsContact O-CG2 3.25Å; K58-V60 WeakPolarHBondContact O-CG2 3.47Å; K58-V60 PolarHBondContact O-N 2.99Å
59E84.6Confident84.1Confident136 Ų13673.7 Ų73.764%0.63638%0.377SS*.  trans-68.1116.6166.8-177.2165.4-173.400108.5W27 F45W27-E59 HydrophobicContact CZ2-CB 3.91Å; F45-E59 HydrophobicContact CD1-CG 4.42Å; F45-E59 HydrophobicContact CD2-CB 4.2Å; F45-E59 HydrophobicContact CD2-CG 4.14Å; F45-E59 HydrophobicContact CE1-CG 4.1Å; F45-E59 HydrophobicContact CE2-CB 4.37Å; F45-E59 HydrophobicContact CE2-CG 3.81Å; F45-E59 HydrophobicContact CG-CB 4.28Å; F45-E59 HydrophobicContact CG-CG 4.43Å; F45-E59 HydrophobicContact CZ-CG 3.78Å
60V74.1Confident84.1Confident31 Ų3172.4 Ų72.419%0.18837%0.371CS..  trans-125.9129.2-175.7-159.20000109.1C56 K58 E62 R65C56-V60 HydrophobicContact CB-CG2 3.93Å; K58-V60 HydrophobicContact CB-CG2 4.42Å; K58-V60 VanDerWaalsContact O-CG2 3.25Å; K58-V60 WeakPolarHBondContact O-CG2 3.47Å; K58-V60 PolarHBondContact O-N 2.99Å; V60-E62 HydrophobicContact CG1-CB 4.33Å; V60-E62 WeakPolarHBondContact CG1-O 3.49Å; V60-R65 HydrophobicContact CG1-CB 4.49Å
61K65.6Low84.3Confident218 Ų21874.1 Ų74.195%0.94837%0.374SS*.SBendtrans-80.4-25.4170.6-80.3-177.7174.6179.20112.8
62E66.1Low84.4Confident122 Ų12272.4 Ų72.457%0.5737%0.365SS*.  trans-99.9114.4178.6-70.8175.2179.100111.4V60 G64 R65V60-E62 HydrophobicContact CG1-CB 4.33Å; V60-E62 WeakPolarHBondContact CG1-O 3.49Å; E62-G64 PolarHBondContact O-N 3Å; E62-R65 IonicContact OE2-NH2 2.77Å
63L69.8Low84.3Confident37 Ų3770.5 Ų70.519%0.19436%0.361CS..G310 helixtrans-68.7-13.2-177.8-62.8170.8000114.2V47 K49 F54 R65 A66V47-L63 HydrophobicContact CB-CD2 3.9Å; V47-L63 HydrophobicContact CG1-CD2 3.63Å; V47-L63 HydrophobicContact CG2-CD2 4.31Å; K49-L63 HydrophobicContact CB-CD1 4.36Å; K49-L63 HydrophobicContact CD-CD1 3.26Å; K49-L63 HydrophobicContact CG-CD1 4.46Å; F54-L63 HydrophobicContact CB-CD2 4.09Å; F54-L63 HydrophobicContact CD1-CB 4.19Å; F54-L63 HydrophobicContact CD1-CD2 4.24Å; F54-L63 HydrophobicContact CD2-CD1 4.32Å; F54-L63 HydrophobicContact CD2-CD2 3.84Å; F54-L63 HydrophobicContact CE1-CB 4.1Å; F54-L63 HydrophobicContact CE2-CD1 4.03Å; F54-L63 HydrophobicContact CE2-CD2 4.36Å; F54-L63 HydrophobicContact CG-CD2 3.79Å; F54-L63 HydrophobicContact CZ-CB 4.39Å; F54-L63 HydrophobicContact CZ-CD1 4.26Å; L63-R65 PolarHBondContact O-N 2.84Å; L63-A66 PolarHBondContact O-N 3.48Å
64G65.3Low84.2Confident81 Ų8173.2 Ų73.284%0.83538%0.375SS*.G310 helixtrans-68.7-8.4179.100000114.9E62E62-G64 PolarHBondContact O-N 3Å
65R70.8Confident84.2Confident180 Ų18072.3 Ų72.368%0.67937%0.372SS*.G310 helixtrans-111.723.6176.1-51.2-165.7-153.9-178.56.4113.5V60 E62 L63V60-R65 HydrophobicContact CG1-CB 4.49Å; E62-R65 IonicContact OE2-NH2 2.77Å; L63-R65 PolarHBondContact O-N 2.84Å
66A80.3Confident84.2Confident25 Ų2575.8 Ų75.821%0.20739%0.388CS..  trans-65.4137.2175.800000110.7F54 L63 E68 V69F54-A66 HydrophobicContact CB-CB 4.05Å; F54-A66 HydrophobicContact CD1-CB 3.73Å; F54-A66 HydrophobicContact CG-CB 4.39Å; L63-A66 PolarHBondContact O-N 3.48Å; A66-E68 VanDerWaalsContact C-N 3.34Å; A66-V69 HydrophobicContact CB-CG2 3.98Å
67D85.3Confident84.3Confident102 Ų10280.6 Ų80.655%0.54541%0.406SS..SBendtrans-75.2-30.8177.4-61-54.1000111R44 I55 C56 E57R44-D67 IonicContact NH1-OD2 2.73Å; I55-D67 PolarHBondContact O-N 3.39Å; C56-D67 WeakPolarHBondContact CA-OD2 3.35Å; E57-D67 WeakPolarHBondContact CB-OD2 3.41Å; E57-D67 PolarHBondContact N-OD2 3.37Å
68E91Very high84.5Confident59 Ų5975.3 Ų75.328%0.27638%0.381SS..EExtended strand (participates in β ladder)trans-146.4133.3-179.1178.7179.517800108.9K30 I55 A66 L70 Q110K30-E68 IonicContact NZ-OE1 2.79Å; K30-E68 PolarHBondContact NZ-OE1 3.21Å; K30-E68 IonicContact NZ-OE2 2.83Å; K30-E68 PolarHBondContact NZ-OE2 3.01Å; I55-E68 HydrophobicContact CB-CB 4.21Å; I55-E68 PolarHBondContact N-O 3.17Å; I55-E68 PolarHBondContact O-N 2.91Å; I55-E68 VanDerWaalsContact O-N 3.15Å; A66-E68 VanDerWaalsContact C-N 3.34Å; E68-L70 HydrophobicContact CG-CD2 3.93Å; E68-L70 HydrophobicContact CG-CG 4.25Å; E68-Q110 PolarHBondContact OE1-NE2 3.36Å
69V93.2Very high84.9Confident76 Ų7671.1 Ų71.146%0.46136%0.364SS..EExtended strand (participates in β ladder)trans-119.6125.3175.8-173.90000107.4Q52 F54 A66Q52-V69 HydrophobicContact CB-CG1 4.45Å; F54-V69 HydrophobicContact CD1-CB 4.42Å; F54-V69 HydrophobicContact CD1-CG1 4.05Å; F54-V69 HydrophobicContact CD1-CG2 3.68Å; F54-V69 HydrophobicContact CE1-CB 4.5Å; F54-V69 HydrophobicContact CE1-CG1 3.8Å; F54-V69 HydrophobicContact CE1-CG2 3.87Å; F54-V69 HydrophobicContact CZ-CG1 4.29Å; A66-V69 HydrophobicContact CB-CG2 3.98Å
70L93.6Very high85.2Confident12 Ų1266.8 Ų66.86%0.06334%0.344CS..EExtended strand (participates in β ladder)trans-112.9123.1-178.9-60.8-179.1000109Q52 L53 I55 E68 Y75 Q110Q52-L70 WeakPolarHBondContact CA-O 3.23Å; L53-L70 HydrophobicContact CB-CB 4.2Å; L53-L70 HydrophobicContact CD2-CD1 4.29Å; L53-L70 PolarHBondContact N-O 3.15Å; L53-L70 PolarHBondContact O-N 3.1Å; I55-L70 HydrophobicContact CD1-CD1 3.76Å; I55-L70 HydrophobicContact CD1-CG 4.41Å; E68-L70 HydrophobicContact CG-CD2 3.93Å; E68-L70 HydrophobicContact CG-CG 4.25Å; L70-Y75 HydrophobicContact CB-CE2 4Å; L70-Y75 HydrophobicContact CD1-CE2 4.44Å; L70-Y75 HydrophobicContact CD2-CE2 4.49Å; L70-Y75 WeakPolarHBondContact CD2-OH 3.47Å; L70-Q110 HydrophobicContact CD1-CG 3.85Å
71D93.4Very high85.9Confident65 Ų6567 Ų6735%0.34834%0.344SS..EExtended strand (participates in β ladder)trans-79.7123.3170.7-164.1-19.8000109.5S73 D74 Y75D71-S73 PolarHBondContact O-N 2.68Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 VanDerWaalsContact OD1-N 3.1Å; D71-S73 PolarHBondContact OD1-OG 3.43Å; D71-S73 VanDerWaalsContact OD1-OG 3.08Å; D71-S73 PolarHBondContact OD2-OG 3.03Å; D71-D74 PolarHBondContact O-N 3.28Å; D71-Y75 WeakPolarHBondContact O-CD2 3.48Å
72L94.8Very high86.5Confident0 Ų066.1 Ų66.10%033%0.334CS..G310 helixtrans-71.8-16-178.7-64.9178.4000113L48 D51 L53 D74 Y75 L97 L127 A130 I131 A134L48-L72 HydrophobicContact CD1-CD1 3.56Å; D51-L72 WeakPolarHBondContact O-CB 3.44Å; D51-L72 VanDerWaalsContact O-CG 3.24Å; D51-L72 WeakPolarHBondContact O-CG 3.4Å; D51-L72 PolarHBondContact O-N 3.44Å; L53-L72 HydrophobicContact CB-CD2 4.17Å; L72-D74 PolarHBondContact O-N 3.38Å; L72-Y75 PolarHBondContact O-N 3.28Å; L72-Y75 VanDerWaalsContact O-N 3.17Å; L72-L97 HydrophobicContact CD2-CD2 4.32Å; L72-L127 HydrophobicContact CD2-CD2 4.19Å; L72-A130 HydrophobicContact CD1-CB 3.42Å; L72-A130 VanDerWaalsContact CD1-CB 3.42Å; L72-I131 HydrophobicContact CB-CG1 4.02Å; L72-I131 HydrophobicContact CD2-CG1 4.17Å; L72-A134 HydrophobicContact CB-CB 4.3Å
73S91.8Very high86.4Confident48 Ų4866 Ų6634%0.33633%0.332SS..G310 helixtrans-62.6-29.7171.463.90000112.6D71 Y75D71-S73 PolarHBondContact O-N 2.68Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 VanDerWaalsContact OD1-N 3.1Å; D71-S73 PolarHBondContact OD1-OG 3.43Å; D71-S73 VanDerWaalsContact OD1-OG 3.08Å; D71-S73 PolarHBondContact OD2-OG 3.03Å; S73-Y75 PolarHBondContact O-N 2.76Å
74D91.8Very high85.6Confident58 Ų5871.9 Ų71.931%0.3136%0.363SS..G310 helixtrans-76.8-6.7179.2-64.6-26.6000112.9D71 L72 C100 N105 V107D71-D74 PolarHBondContact O-N 3.28Å; L72-D74 PolarHBondContact O-N 3.38Å; D74-C100 WeakPolarHBondContact O-CB 3.36Å; D74-C100 PolarHBondContact O-N 3.15Å; D74-N105 PolarHBondContact O-ND2 2.78Å; D74-V107 HydrophobicContact CB-CB 4.41Å; D74-V107 HydrophobicContact CB-CG2 4.01Å
75Y94.1Very high85.1Confident0 Ų077.6 Ų77.60%037%0.366CS..EExtended strand (participates in β ladder)trans-109.4145.4-178.2-67.1-81.2000111.9L70 D71 L72 S73 L97 Q98 V107 P108 Q110 I131 K135L70-Y75 HydrophobicContact CB-CE2 4Å; L70-Y75 HydrophobicContact CD1-CE2 4.44Å; L70-Y75 HydrophobicContact CD2-CE2 4.49Å; L70-Y75 WeakPolarHBondContact CD2-OH 3.47Å; D71-Y75 WeakPolarHBondContact O-CD2 3.48Å; L72-Y75 PolarHBondContact O-N 3.28Å; L72-Y75 VanDerWaalsContact O-N 3.17Å; S73-Y75 PolarHBondContact O-N 2.76Å; Y75-L97 HydrophobicContact CD1-CB 4.22Å; Y75-L97 HydrophobicContact CD1-CD1 4.49Å; Y75-L97 HydrophobicContact CD1-CD2 3.65Å; Y75-L97 HydrophobicContact CD1-CG 3.43Å; Y75-L97 VanDerWaalsContact CD1-CG 3.43Å; Y75-L97 HydrophobicContact CD2-CD2 3.76Å; Y75-L97 HydrophobicContact CD2-CG 4.29Å; Y75-L97 HydrophobicContact CE1-CB 4.37Å; Y75-L97 HydrophobicContact CE1-CD2 3.75Å; Y75-L97 HydrophobicContact CE1-CG 3.88Å; Y75-L97 HydrophobicContact CE2-CD2 3.87Å; Y75-L97 HydrophobicContact CG-CD1 4.35Å; Y75-L97 HydrophobicContact CG-CD2 3.63Å; Y75-L97 HydrophobicContact CG-CG 3.63Å; Y75-Q98 CarbonylContact C-O 3.57Å; Y75-Q98 WeakPolarHBondContact CA-O 3.35Å; Y75-Q98 WeakPolarHBondContact CD1-O 3.39Å; Y75-V107 HydrophobicContact CE1-CG1 4.02Å; Y75-V107 HydrophobicContact CE2-CG1 3.98Å; Y75-V107 VanDerWaalsContact CZ-CG1 3.43Å; Y75-V107 WeakPolarHBondContact OH-CG1 3.01Å; Y75-P108 PolarHBondContact OH-O 2.62Å; Y75-Q110 HydrophobicContact CE1-CG 4.08Å; Y75-Q110 VanDerWaalsContact OH-CG 3.26Å; Y75-Q110 WeakPolarHBondContact OH-CG 3.46Å; Y75-Q110 PolarHBondContact OH-NE2 2.99Å; Y75-I131 WeakPolarHBondContact O-CG2 3.2Å; Y75-K135 WeakPolarHBondContact O-CE 3.46Å
76E94Very high84Confident74 Ų7471.9 Ų71.935%0.34635%0.353SS..EExtended strand (participates in β ladder)trans-85.3-50.8-176.9-170.2176.217700112.1Q98 I131 K135E76-Q98 HydrophobicContact CB-CG 4.46Å; E76-Q98 PolarHBondContact N-O 3.16Å; E76-Q98 PolarHBondContact OE2-NE2 3.32Å; E76-I131 WeakPolarHBondContact O-CG2 3.34Å; E76-K135 VanDerWaalsContact CA-NZ 3.34Å; E76-K135 PolarHBondContact O-NZ 2.79Å
77R93.9Very high82.7Confident103 Ų10383 Ų8339%0.38939%0.39SS..EExtended strand (participates in β ladder)trans-166.1160.8-174.561.3-171.6-176.4119.214.7110.8E79 Q98R77-E79 IonicContact CZ-OE1 3.33Å; R77-E79 IonicContact CZ-OE2 2.62Å; R77-E79 IonicContact NH1-OE2 3.31Å; R77-E79 PolarHBondContact NH1-OE2 3.15Å; R77-E79 IonicContact NH2-OE1 2.97Å; R77-E79 PolarHBondContact NH2-OE1 2.85Å; R77-E79 VanDerWaalsContact NH2-OE1 3.09Å; R77-E79 IonicContact NH2-OE2 3.54Å; R77-E79 PolarHBondContact NH2-OE2 2.84Å; R77-Q98 HydrophobicContact CG-CB 4.2Å; R77-Q98 WeakPolarHBondContact O-CB 3.47Å; R77-Q98 PolarHBondContact O-N 3.29Å
78C94.9Very high81.3Confident3 Ų380.9 Ų80.92%0.0238%0.383CS..EExtended strand (participates in β ladder)trans-110.7125.7171.5-166.90000109.1F95 R96 L97 I124 L127 N128 I131C78-F95 VanDerWaalsContact SG-CD2 3.51Å; C78-R96 CarbonylContact C-O 3.58Å; C78-R96 WeakPolarHBondContact CA-O 3.41Å; C78-L97 HydrophobicContact CB-CD1 3.79Å; C78-I124 WeakPolarHBondContact O-CG2 3.27Å; C78-L127 HydrophobicContact CB-CB 3.91Å; C78-L127 HydrophobicContact CB-CD1 4.47Å; C78-N128 WeakPolarHBondContact CA-OD1 3.36Å; C78-N128 WeakPolarHBondContact CB-OD1 3.1Å; C78-N128 PolarHBondContact N-OD1 3Å; C78-N128 PolarHBondContact O-ND2 3.08Å; C78-N128 PolarHBondContact O-OD1 3.35Å; C78-I131 HydrophobicContact CB-CD1 4.43Å
79E94Very high79.6Confident64 Ų6486.5 Ų86.530%0.29941%0.406SS..EExtended strand (participates in β ladder)trans-138.9155.8-17668.7174.4174.700113.9R77 F95 R96R77-E79 IonicContact CZ-OE1 3.33Å; R77-E79 IonicContact CZ-OE2 2.62Å; R77-E79 IonicContact NH1-OE2 3.31Å; R77-E79 PolarHBondContact NH1-OE2 3.15Å; R77-E79 IonicContact NH2-OE1 2.97Å; R77-E79 PolarHBondContact NH2-OE1 2.85Å; R77-E79 VanDerWaalsContact NH2-OE1 3.09Å; R77-E79 IonicContact NH2-OE2 3.54Å; R77-E79 PolarHBondContact NH2-OE2 2.84Å; E79-F95 CarbonylContact O-C 3.49Å; E79-F95 VanDerWaalsContact O-CA 3.24Å; E79-F95 WeakPolarHBondContact O-CA 3.27Å; E79-F95 WeakPolarHBondContact O-CB 3.28Å; E79-R96 PolarHBondContact N-O 3.39Å; E79-R96 PolarHBondContact O-N 3.01Å
80E92.3Very high78Confident44 Ų4491 Ų9121%0.20642%0.42CS..EExtended strand (participates in β ladder)trans-71134.5173.1178.1177-140.200111.2R82 K120 I124E80-R82 HydrophobicContact CG-CG 3.96Å; E80-R82 PolarHBondContact O-N 2.81Å; E80-R82 VanDerWaalsContact O-N 3.09Å; E80-R82 IonicContact OE2-CZ 2.84Å; E80-R82 IonicContact OE2-NE 2.83Å; E80-R82 PolarHBondContact OE2-NE 2.93Å; E80-R82 IonicContact OE2-NH2 3.97Å; E80-R82 PolarHBondContact OE2-NH2 2.89Å; E80-K120 HydrophobicContact CB-CD 4.39Å; E80-K120 HydrophobicContact CG-CD 4.13Å; E80-K120 IonicContact OE1-NZ 3.49Å; E80-K120 PolarHBondContact OE1-NZ 2.81Å; E80-K120 IonicContact OE2-NZ 2.68Å; E80-I124 HydrophobicContact CB-CD1 4.13Å
81I88.7Confident76.7Confident37 Ų3792 Ų9219%0.1943%0.425CS..  trans-83.391.3174.1-56.7-175.9000109.1K94 R96 V111I81-K94 HydrophobicContact CB-CD 4.48Å; I81-K94 HydrophobicContact CB-CG 4.33Å; I81-K94 HydrophobicContact CD1-CD 4.16Å; I81-K94 HydrophobicContact CD1-CG 4Å; I81-K94 HydrophobicContact CG1-CG 4.47Å; I81-K94 PolarHBondContact N-O 2.92Å; I81-R96 HydrophobicContact CD1-CB 3.83Å; I81-R96 HydrophobicContact CG1-CB 3.8Å; I81-V111 HydrophobicContact CD1-CG1 3.72Å; I81-V111 HydrophobicContact CD1-CG2 4.23Å
82R77.1Confident75.9Confident198 Ų19892.6 Ų92.675%0.74743%0.425SS*.  trans-81.8122.6174.8-63.6-175.7-179139.54.5110.6E80 N84E80-R82 HydrophobicContact CG-CG 3.96Å; E80-R82 PolarHBondContact O-N 2.81Å; E80-R82 VanDerWaalsContact O-N 3.09Å; E80-R82 IonicContact OE2-CZ 2.84Å; E80-R82 IonicContact OE2-NE 2.83Å; E80-R82 PolarHBondContact OE2-NE 2.93Å; E80-R82 IonicContact OE2-NH2 3.97Å; E80-R82 PolarHBondContact OE2-NH2 2.89Å; R82-N84 PolarHBondContact O-N 2.89Å
83K63.8Low75.6Confident120 Ų12093.2 Ų93.252%0.52243%0.43SS..  trans-79.9100.4167.1-69.1-167.8-178.5-1730108.6K85 S86K83-K85 PolarHBondContact O-N 2.99Å; K83-S86 PolarHBondContact O-N 3.49Å
84N54.3Low75.6Confident160 Ų16092.6 Ų92.686%0.85642%0.421SS*.THydrogen-bonded Turntrans-52.9-2.917853.11.7000117R82R82-N84 PolarHBondContact O-N 2.89Å
85K53.1Low75.7Confident202 Ų20289.8 Ų89.888%0.87841%0.406SS*.THydrogen-bonded Turntrans-137.95.9177.5-71.4-173176.41720115.8K83K83-K85 PolarHBondContact O-N 2.99Å
86S49.3Very low75.8Confident60 Ų6093.7 Ų93.742%0.4242%0.421SS..  trans-118.4108.1-176.5-166.40000111K83 S88K83-S86 PolarHBondContact O-N 3.49Å; S86-S88 PolarHBondContact O-N 2.68Å; S86-S88 WeakPolarHBondContact OG-CB 3.25Å; S86-S88 PolarHBondContact OG-N 2.83Å
87R52.4Low75.9Confident259 Ų25990.2 Ų90.298%0.97741%0.405SS*.  trans-59.714.6163.459.1-176.8-169.9159.14.9114.1K89R87-K89 PolarHBondContact O-N 3.38Å
88S55.2Low75.9Confident56 Ų5687.3 Ų87.339%0.39240%0.395SS..  trans-82.7109.1177.7-172.70000109.8S86 K90S86-S88 PolarHBondContact O-N 2.68Å; S86-S88 WeakPolarHBondContact OG-CB 3.25Å; S86-S88 PolarHBondContact OG-N 2.83Å; S88-K90 PolarHBondContact O-N 3.42Å; S88-K90 WeakPolarHBondContact OG-CB 3.49Å
89K56.6Low75.9Confident178 Ų17892 Ų9277%0.77441%0.413SS*.G310 helixtrans-54.7-2.3170-166.9159.5-178.5164.40114.1R87 N91 H92R87-K89 PolarHBondContact O-N 3.38Å; K89-N91 VanDerWaalsContact C-N 3.34Å; K89-N91 PolarHBondContact O-N 3Å; K89-H92 PolarHBondContact O-CE1 3.31Å; K89-H92 VanDerWaalsContact O-CE1 3.28Å; K89-H92 PolarHBondContact O-ND1 2.98Å
90K58.8Low75.7Confident170 Ų17090.2 Ų90.274%0.73941%0.407SS*.G310 helixtrans-77.6-8.2-174.3-162171.1180179.70115S88S88-K90 PolarHBondContact O-N 3.42Å; S88-K90 WeakPolarHBondContact OG-CB 3.49Å
91N67.5Low75.4Confident34 Ų3492.6 Ų92.618%0.18243%0.429CS..G310 helixtrans-111.54.4-172.9-56.2-80000115.1K89 S93 K94K89-N91 VanDerWaalsContact C-N 3.34Å; K89-N91 PolarHBondContact O-N 3Å; N91-S93 PolarHBondContact O-N 3.49Å; N91-S93 VanDerWaalsContact O-N 3.07Å; N91-K94 PolarHBondContact O-N 3.47Å; N91-K94 VanDerWaalsContact O-N 3.14Å
92H75.1Confident75.1Confident76 Ų7693.4 Ų93.435%0.35244%0.438SS..THydrogen-bonded Turntrans-65-7.4-177.363.5-40.2000116K89 P117 K120K89-H92 PolarHBondContact O-CE1 3.31Å; K89-H92 VanDerWaalsContact O-CE1 3.28Å; K89-H92 PolarHBondContact O-ND1 2.98Å; H92-P117 HydrophobicContact CB-CB 4.07Å; H92-P117 WeakPolarHBondContact CD2-CB 3.5Å; H92-P117 WeakPolarHBondContact CD2-CG 3.34Å; H92-P117 WeakPolarHBondContact O-CB 3.49Å; H92-K120 WeakPolarHBondContact O-CD 3.26Å; H92-K120 WeakPolarHBondContact O-CE 3.5Å
93S89.8Confident75.2Confident14 Ų1490.6 Ų90.610%0.09845%0.445CS..THydrogen-bonded Turntrans-110.35175.365.40000114N91 L113 A114N91-S93 PolarHBondContact O-N 3.49Å; N91-S93 VanDerWaalsContact O-N 3.07Å; S93-L113 WeakPolarHBondContact O-CA 3.35Å; S93-L113 VanDerWaalsContact OG-CD1 3.27Å; S93-L113 WeakPolarHBondContact OG-CD1 3.43Å; S93-A114 WeakPolarHBondContact CB-O 3.49Å; S93-A114 PolarHBondContact O-N 3.29Å; S93-A114 PolarHBondContact OG-O 3.26Å
94K91.6Very high75.9Confident34 Ų3488.5 Ų88.515%0.14846%0.458CS..EExtended strand (participates in β ladder)trans-95130.2-179.1-166.5179.2179.8164.10110.7W41 I81 N91 V111 F112 L113W41-K94 HydrophobicContact CH2-CD 4.33Å; W41-K94 HydrophobicContact CH2-CG 4.34Å; I81-K94 HydrophobicContact CB-CD 4.48Å; I81-K94 HydrophobicContact CB-CG 4.33Å; I81-K94 HydrophobicContact CD1-CD 4.16Å; I81-K94 HydrophobicContact CD1-CG 4Å; I81-K94 HydrophobicContact CG1-CG 4.47Å; I81-K94 PolarHBondContact N-O 2.92Å; N91-K94 PolarHBondContact O-N 3.47Å; N91-K94 VanDerWaalsContact O-N 3.14Å; K94-V111 VanDerWaalsContact CE-CG1 3.44Å; K94-V111 HydrophobicContact CG-CG1 4.35Å; K94-F112 WeakPolarHBondContact CA-O 3.13Å; K94-L113 HydrophobicContact CB-CD1 3.9Å; K94-L113 HydrophobicContact CG-CD1 4.43Å
95F94.4Very high77.4Confident0 Ų081.7 Ų81.70%042%0.421CS..EExtended strand (participates in β ladder)trans-141161.5-17966.5-81.6000111.6I28 C78 E79 F112 A114 K120 W123 I124 L127I28-F95 HydrophobicContact CD1-CZ 4.2Å; I28-F95 HydrophobicContact CG2-CE1 4.28Å; I28-F95 HydrophobicContact CG2-CZ 4.33Å; C78-F95 VanDerWaalsContact SG-CD2 3.51Å; E79-F95 CarbonylContact O-C 3.49Å; E79-F95 VanDerWaalsContact O-CA 3.24Å; E79-F95 WeakPolarHBondContact O-CA 3.27Å; E79-F95 WeakPolarHBondContact O-CB 3.28Å; F95-F112 HydrophobicContact CD1-CB 3.87Å; F95-F112 HydrophobicContact CD2-CB 4.04Å; F95-F112 HydrophobicContact CD2-CD2 4.17Å; F95-F112 HydrophobicContact CE1-CB 3.41Å; F95-F112 VanDerWaalsContact CE1-CB 3.41Å; F95-F112 HydrophobicContact CE1-CG 4.46Å; F95-F112 HydrophobicContact CE2-CB 3.61Å; F95-F112 AromaticContact CE2-CD2 3.59Å; F95-F112 HydrophobicContact CE2-CD2 3.59Å; F95-F112 AromaticContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CG-CB 4.19Å; F95-F112 HydrophobicContact CZ-CB 3.28Å; F95-F112 HydrophobicContact CZ-CD2 4.02Å; F95-F112 AromaticContact CZ-CG 3.87Å; F95-F112 HydrophobicContact CZ-CG 3.87Å; F95-F112 PolarHBondContact N-O 3.14Å; F95-F112 PolarHBondContact O-N 3.33Å; F95-A114 HydrophobicContact CE1-CB 4.12Å; F95-K120 HydrophobicContact CB-CD 4.37Å; F95-K120 HydrophobicContact CB-CG 3.91Å; F95-K120 HydrophobicContact CD1-CB 4.3Å; F95-K120 HydrophobicContact CD1-CG 3.62Å; F95-K120 HydrophobicContact CE1-CG 4.46Å; F95-K120 HydrophobicContact CG-CG 4.06Å; F95-W123 HydrophobicContact CE1-CB 4.4Å; F95-W123 HydrophobicContact CE2-CB 4.31Å; F95-W123 HydrophobicContact CZ-CB 3.87Å; F95-W123 HydrophobicContact CZ-CG 4.32Å; F95-I124 HydrophobicContact CB-CD1 3.82Å; F95-I124 HydrophobicContact CB-CG1 3.95Å; F95-I124 HydrophobicContact CD2-CG1 4.21Å; F95-I124 HydrophobicContact CG-CD1 4.49Å; F95-I124 HydrophobicContact CG-CG1 4.18Å; F95-L127 HydrophobicContact CE2-CD1 3.99Å
96R95.1Very high79Confident82 Ų8278.3 Ų78.331%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-126134.1-177.9-177.7-178.1-67.2-98.31.5109.6C78 E79 I81 Q110 V111C78-R96 CarbonylContact C-O 3.58Å; C78-R96 WeakPolarHBondContact CA-O 3.41Å; E79-R96 PolarHBondContact N-O 3.39Å; E79-R96 PolarHBondContact O-N 3.01Å; I81-R96 HydrophobicContact CD1-CB 3.83Å; I81-R96 HydrophobicContact CG1-CB 3.8Å; R96-Q110 CarbonylContact C-O 3.57Å; R96-Q110 VanDerWaalsContact CA-O 3.32Å; R96-Q110 WeakPolarHBondContact CA-O 3.49Å; R96-Q110 WeakPolarHBondContact CG-O 3.34Å; R96-V111 HydrophobicContact CG-CG2 4.23Å
97L95.9Very high80.9Confident0 Ų076.7 Ų76.70%041%0.405CS..EExtended strand (participates in β ladder)trans-92.1109.2162.2-164.565.7000107.7L53 L72 Y75 C78 N109 Q110 F112 I131L53-L97 HydrophobicContact CD2-CD2 4.43Å; L72-L97 HydrophobicContact CD2-CD2 4.32Å; Y75-L97 HydrophobicContact CD1-CB 4.22Å; Y75-L97 HydrophobicContact CD1-CD1 4.49Å; Y75-L97 HydrophobicContact CD1-CD2 3.65Å; Y75-L97 HydrophobicContact CD1-CG 3.43Å; Y75-L97 VanDerWaalsContact CD1-CG 3.43Å; Y75-L97 HydrophobicContact CD2-CD2 3.76Å; Y75-L97 HydrophobicContact CD2-CG 4.29Å; Y75-L97 HydrophobicContact CE1-CB 4.37Å; Y75-L97 HydrophobicContact CE1-CD2 3.75Å; Y75-L97 HydrophobicContact CE1-CG 3.88Å; Y75-L97 HydrophobicContact CE2-CD2 3.87Å; Y75-L97 HydrophobicContact CG-CD1 4.35Å; Y75-L97 HydrophobicContact CG-CD2 3.63Å; Y75-L97 HydrophobicContact CG-CG 3.63Å; C78-L97 HydrophobicContact CB-CD1 3.79Å; L97-N109 WeakPolarHBondContact O-CA 3.26Å; L97-Q110 HydrophobicContact CB-CB 4.05Å; L97-Q110 PolarHBondContact N-O 3.37Å; L97-Q110 PolarHBondContact O-N 3.43Å; L97-F112 HydrophobicContact CB-CE2 4.24Å; L97-I131 HydrophobicContact CD1-CD1 3.68Å
98Q95.1Very high82.8Confident42 Ų4268.3 Ų68.320%0.19638%0.384CS..EExtended strand (participates in β ladder)trans-83.2127.5-176179.1174.9-16.200109.6Y75 E76 R77 N109Y75-Q98 CarbonylContact C-O 3.57Å; Y75-Q98 WeakPolarHBondContact CA-O 3.35Å; Y75-Q98 WeakPolarHBondContact CD1-O 3.39Å; E76-Q98 HydrophobicContact CB-CG 4.46Å; E76-Q98 PolarHBondContact N-O 3.16Å; E76-Q98 PolarHBondContact OE2-NE2 3.32Å; R77-Q98 HydrophobicContact CG-CB 4.2Å; R77-Q98 WeakPolarHBondContact O-CB 3.47Å; R77-Q98 PolarHBondContact O-N 3.29Å; Q98-N109 WeakPolarHBondContact CA-OD1 3.48Å
99R93.7Very high84.6Confident101 Ų10168.7 Ų68.738%0.38138%0.382SS..EExtended strand (participates in β ladder)trans-64.5150.8175.274.6179.1-172.9125.62.1110.9N105 V107 N109R99-N105 PolarHBondContact NH1-O 2.83Å; R99-V107 WeakPolarHBondContact CB-O 3.29Å; R99-V107 WeakPolarHBondContact CD-O 3.27Å; R99-N109 PolarHBondContact N-OD1 3.41Å
100C89.5Confident86.4Confident28 Ų2860.7 Ų60.719%0.18935%0.347CS..PPolyproline II helixtrans-67.3140.9168.3-163.80000110.7D74 S102 N105D74-C100 WeakPolarHBondContact O-CB 3.36Å; D74-C100 PolarHBondContact O-N 3.15Å; C100-S102 PolarHBondContact O-N 3.19Å; C100-N105 PolarHBondContact N-ND2 2.81Å; C100-N105 PolarHBondContact O-ND2 2.82Å
101S86.4Confident88.1Confident93 Ų9353.1 Ų53.165%0.6532%0.315SS*.  trans-85.815.2176.2-58.80000113.1
102S83.6Confident89.4Confident55 Ų5551.7 Ų51.739%0.38531%0.307SS..  trans-63.3137177.947.20000111.3C100 G104 N105C100-S102 PolarHBondContact O-N 3.19Å; S102-G104 PolarHBondContact O-N 3.18Å; S102-N105 PolarHBondContact O-N 2.85Å; S102-N105 VanDerWaalsContact O-N 3.13Å
103P77.6Confident90.3Very high139 Ų13949.6 Ų49.690%0.90330%0.299SS*.THydrogen-bonded Turntrans-60.7126174.523.4-29.8000109.3
104G80Confident90.5Very high76 Ų7649 Ų4978%0.78429%0.294SS*.THydrogen-bonded Turntrans103.6-14.1-175.400000115.1S102 T106S102-G104 PolarHBondContact O-N 3.18Å; G104-T106 PolarHBondContact O-N 3.25Å
105N85.1Confident90.5Very high17 Ų1752.5 Ų52.59%0.09132%0.319CS..  trans-80.3108.5176.2-173.58.2000112.2D74 R99 C100 S102 V107D74-N105 PolarHBondContact O-ND2 2.78Å; R99-N105 PolarHBondContact NH1-O 2.83Å; C100-N105 PolarHBondContact N-ND2 2.81Å; C100-N105 PolarHBondContact O-ND2 2.82Å; S102-N105 PolarHBondContact O-N 2.85Å; S102-N105 VanDerWaalsContact O-N 3.13Å; N105-V107 VanDerWaalsContact OD1-CB 3.27Å; N105-V107 WeakPolarHBondContact OD1-CB 3.39Å; N105-V107 VanDerWaalsContact OD1-CG2 3.29Å; N105-V107 WeakPolarHBondContact OD1-CG2 3.5Å; N105-V107 PolarHBondContact OD1-N 2.96Å
106T86.4Confident90.4Very high130 Ų13054.2 Ų54.280%0.79833%0.331SS*.  trans-93.1-1.4178.356.80000113.6G104G104-T106 PolarHBondContact O-N 3.25Å
107V90.1Very high90.2Very high27 Ų2751.5 Ų51.516%0.16432%0.323CS..PPolyproline II helixtrans-70.4133.2-173.6-177.20000110.7D74 Y75 R99 N105D74-V107 HydrophobicContact CB-CB 4.41Å; D74-V107 HydrophobicContact CB-CG2 4.01Å; Y75-V107 HydrophobicContact CE1-CG1 4.02Å; Y75-V107 HydrophobicContact CE2-CG1 3.98Å; Y75-V107 VanDerWaalsContact CZ-CG1 3.43Å; Y75-V107 WeakPolarHBondContact OH-CG1 3.01Å; R99-V107 WeakPolarHBondContact CB-O 3.29Å; R99-V107 WeakPolarHBondContact CD-O 3.27Å; N105-V107 VanDerWaalsContact OD1-CB 3.27Å; N105-V107 WeakPolarHBondContact OD1-CB 3.39Å; N105-V107 VanDerWaalsContact OD1-CG2 3.29Å; N105-V107 WeakPolarHBondContact OD1-CG2 3.5Å; N105-V107 PolarHBondContact OD1-N 2.96Å
108P91.4Very high90Very high83 Ų8357.6 Ų57.654%0.53935%0.352SS..PPolyproline II helixtrans-76.8156.8179.630.8-35.3000112.4Y75 Q110Y75-P108 PolarHBondContact OH-O 2.62Å; P108-Q110 PolarHBondContact O-N 3.23Å
109N93.3Very high90Very high63 Ų6357.6 Ų57.634%0.33735%0.352SS..PPolyproline II helixtrans-61.9130.6166.5-71-41.2000110.2L97 Q98 R99L97-N109 WeakPolarHBondContact O-CA 3.26Å; Q98-N109 WeakPolarHBondContact CA-OD1 3.48Å; R99-N109 PolarHBondContact N-OD1 3.41Å
110Q94.2Very high90Very high11 Ų1153 Ų535%0.05134%0.335CS..EExtended strand (participates in β ladder)trans-97.4142.4175.3-52.7-68.7-9.300109.8K30 E68 L70 Y75 R96 L97 P108 F112K30-Q110 VanDerWaalsContact NZ-OE1 3.13Å; E68-Q110 PolarHBondContact OE1-NE2 3.36Å; L70-Q110 HydrophobicContact CD1-CG 3.85Å; Y75-Q110 HydrophobicContact CE1-CG 4.08Å; Y75-Q110 VanDerWaalsContact OH-CG 3.26Å; Y75-Q110 WeakPolarHBondContact OH-CG 3.46Å; Y75-Q110 PolarHBondContact OH-NE2 2.99Å; R96-Q110 CarbonylContact C-O 3.57Å; R96-Q110 VanDerWaalsContact CA-O 3.32Å; R96-Q110 WeakPolarHBondContact CA-O 3.49Å; R96-Q110 WeakPolarHBondContact CG-O 3.34Å; L97-Q110 HydrophobicContact CB-CB 4.05Å; L97-Q110 PolarHBondContact N-O 3.37Å; L97-Q110 PolarHBondContact O-N 3.43Å; P108-Q110 PolarHBondContact O-N 3.23Å; Q110-F112 HydrophobicContact CB-CD2 4.32Å; Q110-F112 HydrophobicContact CB-CE2 3.52Å; Q110-F112 HydrophobicContact CB-CZ 3.76Å; Q110-F112 HydrophobicContact CG-CZ 4.45Å
111V94.5Very high90.2Very high11 Ų1155.8 Ų55.87%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-126.8129.5178.8176.90000108.8F31 W41 I81 K94 R96F31-V111 HydrophobicContact CB-CB 3.86Å; F31-V111 HydrophobicContact CB-CG1 4.23Å; F31-V111 WeakPolarHBondContact CB-O 3.39Å; F31-V111 HydrophobicContact CG-CB 4.45Å; F31-V111 PolarHBondContact N-O 2.89Å; W41-V111 HydrophobicContact CH2-CG1 3.69Å; W41-V111 HydrophobicContact CZ2-CG1 4.44Å; W41-V111 HydrophobicContact CZ3-CG1 4.39Å; I81-V111 HydrophobicContact CD1-CG1 3.72Å; I81-V111 HydrophobicContact CD1-CG2 4.23Å; K94-V111 VanDerWaalsContact CE-CG1 3.44Å; K94-V111 HydrophobicContact CG-CG1 4.35Å; R96-V111 HydrophobicContact CG-CG2 4.23Å
112F95.4Very high90.7Very high3 Ų354.2 Ų54.21%0.01334%0.337CS..EExtended strand (participates in β ladder)trans-128154-172.4-64.6-69.5000111.1I28 R29 K30 I55 K94 F95 L97 Q110I28-F112 HydrophobicContact CG2-CB 3.77Å; I28-F112 HydrophobicContact CG2-CD1 3.99Å; I28-F112 HydrophobicContact CG2-CG 4.23Å; R29-F112 CarbonylContact O-C 3.53Å; R29-F112 WeakPolarHBondContact O-CA 3.4Å; K30-F112 HydrophobicContact CB-CD1 4.15Å; K30-F112 HydrophobicContact CB-CE1 4.08Å; K30-F112 HydrophobicContact CD-CE1 4.31Å; K30-F112 HydrophobicContact CG-CD1 4.12Å; K30-F112 HydrophobicContact CG-CE1 3.72Å; I55-F112 HydrophobicContact CD1-CE1 4.12Å; I55-F112 HydrophobicContact CD1-CZ 4.05Å; K94-F112 WeakPolarHBondContact CA-O 3.13Å; F95-F112 HydrophobicContact CD1-CB 3.87Å; F95-F112 HydrophobicContact CD2-CB 4.04Å; F95-F112 HydrophobicContact CD2-CD2 4.17Å; F95-F112 HydrophobicContact CE1-CB 3.41Å; F95-F112 VanDerWaalsContact CE1-CB 3.41Å; F95-F112 HydrophobicContact CE1-CG 4.46Å; F95-F112 HydrophobicContact CE2-CB 3.61Å; F95-F112 AromaticContact CE2-CD2 3.59Å; F95-F112 HydrophobicContact CE2-CD2 3.59Å; F95-F112 AromaticContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CG-CB 4.19Å; F95-F112 HydrophobicContact CZ-CB 3.28Å; F95-F112 HydrophobicContact CZ-CD2 4.02Å; F95-F112 AromaticContact CZ-CG 3.87Å; F95-F112 HydrophobicContact CZ-CG 3.87Å; F95-F112 PolarHBondContact N-O 3.14Å; F95-F112 PolarHBondContact O-N 3.33Å; L97-F112 HydrophobicContact CB-CE2 4.24Å; Q110-F112 HydrophobicContact CB-CD2 4.32Å; Q110-F112 HydrophobicContact CB-CE2 3.52Å; Q110-F112 HydrophobicContact CB-CZ 3.76Å; Q110-F112 HydrophobicContact CG-CZ 4.45Å
113L94Very high91.3Very high32 Ų3251.7 Ų51.717%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-132.7108.4174.8-178.975.7000108.2I28 R29 W41 S93 K94I28-L113 WeakPolarHBondContact CG2-O 3.41Å; R29-L113 HydrophobicContact CB-CB 4.07Å; R29-L113 PolarHBondContact N-O 3.12Å; R29-L113 PolarHBondContact O-N 3.13Å; W41-L113 HydrophobicContact CE3-CB 4.12Å; W41-L113 HydrophobicContact CH2-CB 4.02Å; W41-L113 HydrophobicContact CZ3-CB 3.6Å; S93-L113 WeakPolarHBondContact O-CA 3.35Å; S93-L113 VanDerWaalsContact OG-CD1 3.27Å; S93-L113 WeakPolarHBondContact OG-CD1 3.43Å; K94-L113 HydrophobicContact CB-CD1 3.9Å; K94-L113 HydrophobicContact CG-CD1 4.43Å
114A93.8Very high92.1Very high1 Ų146.1 Ų46.11%0.00828%0.281CS..  trans-74165.6178.200000111.7S93 F95 S116 E119 K120S93-A114 WeakPolarHBondContact CB-O 3.49Å; S93-A114 PolarHBondContact O-N 3.29Å; S93-A114 PolarHBondContact OG-O 3.26Å; F95-A114 HydrophobicContact CE1-CB 4.12Å; A114-S116 VanDerWaalsContact C-N 3.33Å; A114-S116 WeakPolarHBondContact CB-O 3.32Å; A114-E119 HydrophobicContact CB-CB 4.23Å; A114-K120 HydrophobicContact CB-CB 3.79Å
115V91.9Very high92.9Very high109 Ų10947.6 Ų47.666%0.66127%0.271SS*.SBendtrans-69.5-36.8178.9-173.60000110.5E119V115-E119 WeakPolarHBondContact CB-OE2 3.38Å; V115-E119 WeakPolarHBondContact CG2-OE2 3.36Å; V115-E119 PolarHBondContact N-OE2 3Å
116S91.1Very high93.4Very high36 Ų3649 Ų4925%0.25228%0.278SS..SBendtrans-135.3161.6178.395.90000111.7A114 E118 E119 K120A114-S116 VanDerWaalsContact C-N 3.33Å; A114-S116 WeakPolarHBondContact CB-O 3.32Å; S116-E118 VanDerWaalsContact C-N 3.34Å; S116-E118 WeakPolarHBondContact CB-OE2 3.4Å; S116-E118 PolarHBondContact OG-N 3.25Å; S116-E118 PolarHBondContact OG-OE2 3.32Å; S116-E119 PolarHBondContact O-N 2.91Å; S116-E119 PolarHBondContact OG-N 3.49Å; S116-K120 PolarHBondContact O-N 2.78Å
117P90.9Very high93.9Very high24 Ų2442.9 Ų42.916%0.15624%0.24CC..Hα-helixtrans-64.5-36173.328.3-36.8000113.1H92 E119 K120 D121H92-P117 HydrophobicContact CB-CB 4.07Å; H92-P117 WeakPolarHBondContact CD2-CB 3.5Å; H92-P117 WeakPolarHBondContact CD2-CG 3.34Å; H92-P117 WeakPolarHBondContact O-CB 3.49Å; P117-E119 VanDerWaalsContact C-N 3.29Å; P117-E119 PolarHBondContact O-N 2.91Å; P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 WeakPolarHBondContact O-CE 3.21Å; P117-K120 PolarHBondContact O-N 3.07Å; P117-D121 PolarHBondContact O-N 3.48Å
118E92.6Very high94.2Very high128 Ų12843.8 Ų43.860%0.59824%0.244SC*.Hα-helixtrans-64.2-40.9175.9-54.675.2-160.200110S116 D121 S122S116-E118 VanDerWaalsContact C-N 3.34Å; S116-E118 WeakPolarHBondContact CB-OE2 3.4Å; S116-E118 PolarHBondContact OG-N 3.25Å; S116-E118 PolarHBondContact OG-OE2 3.32Å; E118-D121 PolarHBondContact O-N 3.45Å; E118-S122 WeakPolarHBondContact O-CB 3.48Å; E118-S122 PolarHBondContact O-N 3.41Å
119E94.1Very high94.4Very high43 Ų4342.8 Ų42.820%0.20124%0.237CC..Hα-helixtrans-65.8-40.2175.7-158.3-162.9178.300111.4A114 V115 S116 P117 S122 W123A114-E119 HydrophobicContact CB-CB 4.23Å; V115-E119 WeakPolarHBondContact CB-OE2 3.38Å; V115-E119 WeakPolarHBondContact CG2-OE2 3.36Å; V115-E119 PolarHBondContact N-OE2 3Å; S116-E119 PolarHBondContact O-N 2.91Å; S116-E119 PolarHBondContact OG-N 3.49Å; P117-E119 VanDerWaalsContact C-N 3.29Å; P117-E119 PolarHBondContact O-N 2.91Å; E119-S122 PolarHBondContact O-N 2.91Å; E119-W123 WeakPolarHBondContact O-CB 3.3Å; E119-W123 PolarHBondContact O-N 2.85Å; E119-W123 PolarHBondContact OE1-NE1 3.02Å; E119-W123 VanDerWaalsContact OE1-NE1 3.16Å
120K93.9Very high94.4Very high5 Ų539.9 Ų39.92%0.02222%0.221CC..Hα-helixtrans-56.6-50.9172.1175.6-134.545.5156.90110.6E80 H92 F95 A114 S116 P117 S122 W123 I124E80-K120 HydrophobicContact CB-CD 4.39Å; E80-K120 HydrophobicContact CG-CD 4.13Å; E80-K120 IonicContact OE1-NZ 3.49Å; E80-K120 PolarHBondContact OE1-NZ 2.81Å; E80-K120 IonicContact OE2-NZ 2.68Å; H92-K120 WeakPolarHBondContact O-CD 3.26Å; H92-K120 WeakPolarHBondContact O-CE 3.5Å; F95-K120 HydrophobicContact CB-CD 4.37Å; F95-K120 HydrophobicContact CB-CG 3.91Å; F95-K120 HydrophobicContact CD1-CB 4.3Å; F95-K120 HydrophobicContact CD1-CG 3.62Å; F95-K120 HydrophobicContact CE1-CG 4.46Å; F95-K120 HydrophobicContact CG-CG 4.06Å; A114-K120 HydrophobicContact CB-CB 3.79Å; S116-K120 PolarHBondContact O-N 2.78Å; P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 WeakPolarHBondContact O-CE 3.21Å; P117-K120 PolarHBondContact O-N 3.07Å; K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.95Å; K120-W123 PolarHBondContact O-N 3.03Å; K120-W123 VanDerWaalsContact O-N 3.17Å; K120-I124 HydrophobicContact CD-CD1 3.79Å; K120-I124 HydrophobicContact CG-CD1 3.81Å; K120-I124 HydrophobicContact CG-CG1 4.43Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.65Å
121D94.3Very high94.4Very high86 Ų8639.5 Ų39.546%0.4622%0.22SC..Hα-helixtrans-62.6-39.9179.8-71-34.2000111.5P117 E118 W123 I124 N125P117-D121 PolarHBondContact O-N 3.48Å; E118-D121 PolarHBondContact O-N 3.45Å; D121-W123 PolarHBondContact O-N 2.89Å; D121-I124 PolarHBondContact O-N 2.99Å; D121-N125 WeakPolarHBondContact O-CB 3.4Å; D121-N125 PolarHBondContact O-N 3.24Å
122S96Very high94.4Very high60 Ų6042.8 Ų42.842%0.4224%0.24SC..Hα-helixtrans-63.6-39.7174.1178.30000112.4K24 E118 E119 K120 I126K24-S122 VanDerWaalsContact NZ-C 3.29Å; K24-S122 PolarHBondContact NZ-OG 3Å; E118-S122 WeakPolarHBondContact O-CB 3.48Å; E118-S122 PolarHBondContact O-N 3.41Å; E119-S122 PolarHBondContact O-N 2.91Å; K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.95Å; S122-I126 WeakPolarHBondContact O-CG2 3.48Å; S122-I126 PolarHBondContact O-N 3.05Å
123W96.5Very high94.2Very high1 Ų146.9 Ų46.90%0.00426%0.256CS..Hα-helixtrans-67.4-44.2174.3-83.3113.6000112.2K24 I28 V46 L48 L53 F95 E119 K120 D121 N125 I126 L127K24-W123 HydrophobicContact CB-CH2 4.2Å; K24-W123 HydrophobicContact CB-CZ3 4.15Å; K24-W123 HydrophobicContact CD-CD2 3.79Å; K24-W123 HydrophobicContact CD-CE3 3.82Å; K24-W123 HydrophobicContact CD-CG 4.43Å; K24-W123 HydrophobicContact CD-CH2 4.08Å; K24-W123 HydrophobicContact CD-CZ2 4.04Å; K24-W123 HydrophobicContact CD-CZ3 3.97Å; K24-W123 VanDerWaalsContact CE-CE2 3.46Å; K24-W123 HydrophobicContact CG-CE3 4.39Å; K24-W123 HydrophobicContact CG-CH2 3.81Å; K24-W123 HydrophobicContact CG-CZ2 3.96Å; K24-W123 HydrophobicContact CG-CZ3 4.03Å; K24-W123 VanDerWaalsContact NZ-N 3.17Å; I28-W123 HydrophobicContact CD1-CD2 3.53Å; I28-W123 HydrophobicContact CD1-CE3 4.09Å; I28-W123 HydrophobicContact CD1-CG 3.89Å; I28-W123 HydrophobicContact CD1-CH2 4.19Å; I28-W123 HydrophobicContact CD1-CZ2 3.65Å; I28-W123 HydrophobicContact CD1-CZ3 4.38Å; I28-W123 HydrophobicContact CG1-CZ2 4.16Å; V46-W123 HydrophobicContact CB-CH2 4.13Å; V46-W123 HydrophobicContact CG1-CH2 4Å; V46-W123 HydrophobicContact CG1-CZ3 4.1Å; L48-W123 HydrophobicContact CB-CZ3 4.35Å; L53-W123 HydrophobicContact CD1-CZ3 4.47Å; F95-W123 HydrophobicContact CE1-CB 4.4Å; F95-W123 HydrophobicContact CE2-CB 4.31Å; F95-W123 HydrophobicContact CZ-CB 3.87Å; F95-W123 HydrophobicContact CZ-CG 4.32Å; E119-W123 WeakPolarHBondContact O-CB 3.3Å; E119-W123 PolarHBondContact O-N 2.85Å; E119-W123 PolarHBondContact OE1-NE1 3.02Å; E119-W123 VanDerWaalsContact OE1-NE1 3.16Å; K120-W123 PolarHBondContact O-N 3.03Å; K120-W123 VanDerWaalsContact O-N 3.17Å; D121-W123 PolarHBondContact O-N 2.89Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 2.84Å; W123-I126 HydrophobicContact CE3-CG2 4.19Å; W123-I126 WeakPolarHBondContact O-CG2 3.45Å; W123-L127 HydrophobicContact CE3-CD1 4.46Å; W123-L127 HydrophobicContact CE3-CG 4.49Å; W123-L127 VanDerWaalsContact O-CB 3.23Å; W123-L127 WeakPolarHBondContact O-CB 3.33Å; W123-L127 WeakPolarHBondContact O-CD1 3.36Å; W123-L127 WeakPolarHBondContact O-CG 3.35Å; W123-L127 PolarHBondContact O-N 3.44Å
124I95.5Very high94.1Very high22 Ų2246 Ų4611%0.11325%0.252CS..Hα-helixtrans-58.4-47.5176.3-72.3169.7000110.5C78 E80 F95 K120 D121 L127 N128C78-I124 WeakPolarHBondContact O-CG2 3.27Å; E80-I124 HydrophobicContact CB-CD1 4.13Å; F95-I124 HydrophobicContact CB-CD1 3.82Å; F95-I124 HydrophobicContact CB-CG1 3.95Å; F95-I124 HydrophobicContact CD2-CG1 4.21Å; F95-I124 HydrophobicContact CG-CD1 4.49Å; F95-I124 HydrophobicContact CG-CG1 4.18Å; K120-I124 HydrophobicContact CD-CD1 3.79Å; K120-I124 HydrophobicContact CG-CD1 3.81Å; K120-I124 HydrophobicContact CG-CG1 4.43Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.65Å; D121-I124 PolarHBondContact O-N 2.99Å; I124-L127 PolarHBondContact O-N 3.19Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.47Å; I124-N128 WeakPolarHBondContact O-CB 3.46Å; I124-N128 PolarHBondContact O-N 3.49Å; I124-N128 PolarHBondContact O-ND2 3.1Å
125N96Very high93.8Very high107 Ų10750.2 Ų50.257%0.57227%0.271SS*.Hα-helixtrans-63.4-49.1-177-171.819.7000112.3D121 W123 L127 N128 T129D121-N125 WeakPolarHBondContact O-CB 3.4Å; D121-N125 PolarHBondContact O-N 3.24Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 2.84Å; N125-L127 PolarHBondContact O-N 2.95Å; N125-N128 PolarHBondContact O-N 3.33Å; N125-T129 WeakPolarHBondContact O-CB 3.33Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.91Å
126I96.3Very high93.6Very high46 Ų4648 Ų4824%0.23626%0.255CS..Hα-helixtrans-67.8-37.3-179.1-159.470.8000111.6K24 L48 S122 W123 T129 A130K24-I126 HydrophobicContact CB-CG1 4.48Å; K24-I126 HydrophobicContact CB-CG2 4.23Å; K24-I126 HydrophobicContact CD-CG2 3.73Å; L48-I126 HydrophobicContact CD2-CB 4.16Å; L48-I126 HydrophobicContact CD2-CG1 3.55Å; L48-I126 HydrophobicContact CD2-CG2 3.7Å; S122-I126 WeakPolarHBondContact O-CG2 3.48Å; S122-I126 PolarHBondContact O-N 3.05Å; W123-I126 HydrophobicContact CE3-CG2 4.19Å; W123-I126 WeakPolarHBondContact O-CG2 3.45Å; I126-T129 PolarHBondContact O-N 2.93Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 2.86Å
127L96.5Very high93Very high2 Ų253.1 Ų53.11%0.0127%0.269CS..Hα-helixtrans-67-42.3176.7-73.2169.6000111.6L48 L53 L72 C78 F95 W123 I124 N125 T129 A130 I131L48-L127 HydrophobicContact CD1-CD2 4.29Å; L48-L127 HydrophobicContact CD2-CD2 4.39Å; L53-L127 HydrophobicContact CD1-CD2 3.91Å; L53-L127 HydrophobicContact CD2-CD2 3.97Å; L53-L127 HydrophobicContact CG-CD2 4.47Å; L72-L127 HydrophobicContact CD2-CD2 4.19Å; C78-L127 HydrophobicContact CB-CB 3.91Å; C78-L127 HydrophobicContact CB-CD1 4.47Å; F95-L127 HydrophobicContact CE2-CD1 3.99Å; W123-L127 HydrophobicContact CE3-CD1 4.46Å; W123-L127 HydrophobicContact CE3-CG 4.49Å; W123-L127 VanDerWaalsContact O-CB 3.23Å; W123-L127 WeakPolarHBondContact O-CB 3.33Å; W123-L127 WeakPolarHBondContact O-CD1 3.36Å; W123-L127 WeakPolarHBondContact O-CG 3.35Å; W123-L127 PolarHBondContact O-N 3.44Å; I124-L127 PolarHBondContact O-N 3.19Å; N125-L127 PolarHBondContact O-N 2.95Å; L127-T129 VanDerWaalsContact C-N 3.34Å; L127-T129 PolarHBondContact O-N 3.06Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-I131 WeakPolarHBondContact O-CB 3.18Å; L127-I131 WeakPolarHBondContact O-CD1 3.43Å; L127-I131 WeakPolarHBondContact O-CG1 3.39Å; L127-I131 PolarHBondContact O-N 3.07Å
128N96.2Very high91.8Very high46 Ų4658.4 Ų58.425%0.24629%0.294CS..Hα-helixtrans-65.1-39.2176.2-77.6-30000112.2C78 I124 N125 T132C78-N128 WeakPolarHBondContact CA-OD1 3.36Å; C78-N128 WeakPolarHBondContact CB-OD1 3.1Å; C78-N128 PolarHBondContact N-OD1 3Å; C78-N128 PolarHBondContact O-ND2 3.08Å; C78-N128 PolarHBondContact O-OD1 3.35Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.47Å; I124-N128 WeakPolarHBondContact O-CB 3.46Å; I124-N128 PolarHBondContact O-N 3.49Å; I124-N128 PolarHBondContact O-ND2 3.1Å; N125-N128 PolarHBondContact O-N 3.33Å; N128-T132 WeakPolarHBondContact O-CB 3.33Å; N128-T132 PolarHBondContact O-N 2.86Å; N128-T132 PolarHBondContact O-OG1 3.49Å
129T95.1Very high90.3Very high63 Ų6357.8 Ų57.839%0.38730%0.295SS..Hα-helixtrans-60.2-47.3173.2-57.70000110.8N125 I126 L127 T132 R133N125-T129 WeakPolarHBondContact O-CB 3.33Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.91Å; I126-T129 PolarHBondContact O-N 2.93Å; L127-T129 VanDerWaalsContact C-N 3.34Å; L127-T129 PolarHBondContact O-N 3.06Å; T129-T132 PolarHBondContact O-N 2.96Å; T129-R133 WeakPolarHBondContact O-CB 3.24Å; T129-R133 PolarHBondContact O-N 2.88Å
130A94.7Very high88.6Confident1 Ų159.7 Ų59.71%0.00831%0.306CS..Hα-helixtrans-67.8-40179.600000113L48 L72 I126 L127 T132 R133 A134L48-A130 HydrophobicContact CD1-CB 4.08Å; L48-A130 HydrophobicContact CD2-CB 4.17Å; L72-A130 HydrophobicContact CD1-CB 3.42Å; L72-A130 VanDerWaalsContact CD1-CB 3.42Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 2.86Å; L127-A130 PolarHBondContact O-N 3.13Å; A130-T132 VanDerWaalsContact C-N 3.33Å; A130-T132 PolarHBondContact O-N 2.81Å; A130-R133 PolarHBondContact O-N 3.38Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 3.3Å
131I94.3Very high87Confident3 Ų365.7 Ų65.72%0.01533%0.334CS..Hα-helixtrans-61.2-43.9173.1-68.4161.4000110.8L72 Y75 E76 C78 L97 L127 R133 A134 K135L72-I131 HydrophobicContact CB-CG1 4.02Å; L72-I131 HydrophobicContact CD2-CG1 4.17Å; Y75-I131 WeakPolarHBondContact O-CG2 3.2Å; E76-I131 WeakPolarHBondContact O-CG2 3.34Å; C78-I131 HydrophobicContact CB-CD1 4.43Å; L97-I131 HydrophobicContact CD1-CD1 3.68Å; L127-I131 WeakPolarHBondContact O-CB 3.18Å; L127-I131 WeakPolarHBondContact O-CD1 3.43Å; L127-I131 WeakPolarHBondContact O-CG1 3.39Å; L127-I131 PolarHBondContact O-N 3.07Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 2.98Å; I131-A134 PolarHBondContact O-N 3.47Å; I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 HydrophobicContact CG2-CG 4.47Å; I131-K135 WeakPolarHBondContact O-CB 3.47Å; I131-K135 WeakPolarHBondContact O-CG 3.4Å; I131-K135 PolarHBondContact O-N 3.05Å
132T93.4Very high85.3Confident80 Ų8066.6 Ų66.649%0.49134%0.343SS..Hα-helixtrans-62.7-42.9178.9-57.10000110.3N128 T129 A130 N136N128-T132 WeakPolarHBondContact O-CB 3.33Å; N128-T132 PolarHBondContact O-N 2.86Å; N128-T132 PolarHBondContact O-OG1 3.49Å; T129-T132 PolarHBondContact O-N 2.96Å; A130-T132 VanDerWaalsContact C-N 3.33Å; A130-T132 PolarHBondContact O-N 2.81Å; T132-N136 WeakPolarHBondContact CG2-ND2 3.39Å; T132-N136 WeakPolarHBondContact O-CB 3.4Å; T132-N136 PolarHBondContact O-N 3.17Å; T132-N136 PolarHBondContact O-ND2 2.82Å
133R91.5Very high83.2Confident90 Ų9070.9 Ų70.934%0.3436%0.358SS..Hα-helixtrans-61.6-51.2174.4-169.3-166.8-56.5141.1-5.5111.8D23 T129 A130 I131 K135 N136 R137D23-R133 IonicContact OD2-NH1 3.42Å; T129-R133 WeakPolarHBondContact O-CB 3.24Å; T129-R133 PolarHBondContact O-N 2.88Å; A130-R133 PolarHBondContact O-N 3.38Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 2.98Å; R133-K135 VanDerWaalsContact C-N 3.28Å; R133-K135 PolarHBondContact O-N 3.34Å; R133-N136 CarbonylContact O-C 3.41Å; R133-N136 PolarHBondContact O-N 3.32Å; R133-N136 VanDerWaalsContact O-N 3.08Å; R133-R137 PolarHBondContact O-N 2.86Å
134A91.4Very high81.4Confident12 Ų1274.5 Ų74.510%0.09938%0.38CS..Hα-helixtrans-56.5-4218000000112.4D51 L72 A130 I131 R137D51-A134 HydrophobicContact CB-CB 3.73Å; L72-A134 HydrophobicContact CB-CB 4.3Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 3.3Å; I131-A134 PolarHBondContact O-N 3.47Å; A134-R137 WeakPolarHBondContact O-CB 3.4Å; A134-R137 PolarHBondContact O-N 3.35Å
135K88.5Confident79.7Confident91 Ų9178 Ų7840%0.39640%0.399SS..Hα-helixtrans-71.3-34.3177.5-74.8178.1169.6-178.10113.6Y75 E76 I131 R133 R137Y75-K135 WeakPolarHBondContact O-CE 3.46Å; E76-K135 VanDerWaalsContact CA-NZ 3.34Å; E76-K135 PolarHBondContact O-NZ 2.79Å; I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 HydrophobicContact CG2-CG 4.47Å; I131-K135 WeakPolarHBondContact O-CB 3.47Å; I131-K135 WeakPolarHBondContact O-CG 3.4Å; I131-K135 PolarHBondContact O-N 3.05Å; R133-K135 VanDerWaalsContact C-N 3.28Å; R133-K135 PolarHBondContact O-N 3.34Å; K135-R137 VanDerWaalsContact C-N 3.31Å
136N86.2Confident77.9Confident62 Ų6279.2 Ų79.233%0.33241%0.405SS..THydrogen-bonded Turntrans-91.710.2179.1-66.6-59.2000112.8T132 R133 I138 L139 D140T132-N136 WeakPolarHBondContact CG2-ND2 3.39Å; T132-N136 WeakPolarHBondContact O-CB 3.4Å; T132-N136 PolarHBondContact O-N 3.17Å; T132-N136 PolarHBondContact O-ND2 2.82Å; R133-N136 CarbonylContact O-C 3.41Å; R133-N136 PolarHBondContact O-N 3.32Å; R133-N136 VanDerWaalsContact O-N 3.08Å; N136-I138 PolarHBondContact O-N 2.9Å; N136-I138 VanDerWaalsContact O-N 3.09Å; N136-L139 CarbonylContact O-C 3.6Å; N136-L139 WeakPolarHBondContact O-CA 3.22Å; N136-L139 WeakPolarHBondContact O-CB 3.37Å; N136-L139 PolarHBondContact O-N 3.47Å; N136-D140 PolarHBondContact O-N 2.76Å
137R79.7Confident76.3Confident143 Ų14380.8 Ų80.854%0.5442%0.42SS..Hα-helixtrans-52.2-37.1-179.2-178.2175.8168.1-175.5-2.6113.3R133 A134 K135 L139 D140 E141R133-R137 PolarHBondContact O-N 2.86Å; A134-R137 WeakPolarHBondContact O-CB 3.4Å; A134-R137 PolarHBondContact O-N 3.35Å; K135-R137 VanDerWaalsContact C-N 3.31Å; R137-L139 VanDerWaalsContact C-N 3.3Å; R137-L139 PolarHBondContact O-N 3.38Å; R137-D140 PolarHBondContact O-N 2.85Å; R137-E141 HydrophobicContact CG-CG 4.44Å; R137-E141 IonicContact CZ-OE1 3.88Å; R137-E141 IonicContact NE-OE1 3.82Å; R137-E141 PolarHBondContact NE-OE1 3.07Å; R137-E141 IonicContact NH2-OE1 2.76Å; R137-E141 PolarHBondContact NH2-OE1 3.23Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.35Å; R137-E141 PolarHBondContact O-N 2.97Å
138I65.1Low74.5Confident135 Ų13587.7 Ų87.769%0.69245%0.452SS*.Hα-helixtrans-65.3-34.8177.1-59.5169.9000111.5N136 V142N136-I138 PolarHBondContact O-N 2.9Å; N136-I138 VanDerWaalsContact O-N 3.09Å; I138-V142 WeakPolarHBondContact O-CG2 3.24Å
139L62.3Low72.9Confident116 Ų11690.8 Ų90.861%0.60747%0.468SS*.Hα-helixtrans-81.7-34.7178.5-60.4177000111.7N136 R137 V142N136-L139 CarbonylContact O-C 3.6Å; N136-L139 WeakPolarHBondContact O-CA 3.22Å; N136-L139 WeakPolarHBondContact O-CB 3.37Å; N136-L139 PolarHBondContact O-N 3.47Å; R137-L139 VanDerWaalsContact C-N 3.3Å; R137-L139 PolarHBondContact O-N 3.38Å; L139-V142 CarbonylContact O-C 3.33Å; L139-V142 PolarHBondContact O-N 3.28Å
140D58.2Low71.7Confident82 Ų8290.3 Ų90.344%0.43947%0.468SS..Hα-helixtrans-69.5-33.2175.8-72.2-12.9000111.8N136 R137 V142 M143N136-D140 PolarHBondContact O-N 2.76Å; R137-D140 PolarHBondContact O-N 2.85Å; D140-V142 VanDerWaalsContact C-N 3.26Å; D140-V142 PolarHBondContact O-N 3.23Å; D140-M143 VanDerWaalsContact O-CG 3.3Å; D140-M143 WeakPolarHBondContact O-CG 3.46Å; D140-M143 PolarHBondContact O-N 2.9Å
141E60.5Low70.5Confident132 Ų13297.1 Ų97.162%0.61750%0.499SS*.Hα-helixtrans-69.2-23.9171.1-74177.6-167.700112.1R137 M143R137-E141 HydrophobicContact CG-CG 4.44Å; R137-E141 IonicContact CZ-OE1 3.88Å; R137-E141 IonicContact NE-OE1 3.82Å; R137-E141 PolarHBondContact NE-OE1 3.07Å; R137-E141 IonicContact NH2-OE1 2.76Å; R137-E141 PolarHBondContact NH2-OE1 3.23Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.35Å; R137-E141 PolarHBondContact O-N 2.97Å; E141-M143 PolarHBondContact O-N 2.86Å
142V56.8Low69.5Low104 Ų104105.4 Ų105.463%0.6354%0.542SS*.THydrogen-bonded Turntrans-9240.6170.1-168.60000110.3I138 L139 D140 V144I138-V142 WeakPolarHBondContact O-CG2 3.24Å; L139-V142 CarbonylContact O-C 3.33Å; L139-V142 PolarHBondContact O-N 3.28Å; D140-V142 VanDerWaalsContact C-N 3.26Å; D140-V142 PolarHBondContact O-N 3.23Å; V142-V144 PolarHBondContact O-N 2.94Å
143M53.1Low68.3Low151 Ų151106.1 Ų106.174%0.74455%0.547SS*.  trans-67.2102.3156.9-82.4178.433.600107.7D140 E141 D145D140-M143 VanDerWaalsContact O-CG 3.3Å; D140-M143 WeakPolarHBondContact O-CG 3.46Å; D140-M143 PolarHBondContact O-N 2.9Å; E141-M143 PolarHBondContact O-N 2.86Å; M143-D145 PolarHBondContact O-N 3Å
144V58.7Low67.4Low76 Ų76109.8 Ų109.846%0.46156%0.561SS.*  trans-47.2123.4171.91760000108.2V142 D146 Q148 L149V142-V144 PolarHBondContact O-N 2.94Å; V144-D146 PolarHBondContact O-N 3.06Å; V144-D146 VanDerWaalsContact O-N 3.11Å; V144-Q148 HydrophobicContact CG1-CB 4.16Å; V144-L149 HydrophobicContact CG1-CG 4.16Å
145D59.3Low66.4Low97 Ų97115.3 Ų115.352%0.51959%0.589SS.*  trans-53.3120174.7-175.227.2000108.2M143 S147 Q148M143-D145 PolarHBondContact O-N 3Å; D145-S147 VanDerWaalsContact CG-OG 3.24Å; D145-S147 PolarHBondContact O-N 3.39Å; D145-S147 WeakPolarHBondContact OD2-CB 3.38Å; D145-S147 PolarHBondContact OD2-OG 3.16Å; D145-Q148 HydrophobicContact CB-CG 4.46Å; D145-Q148 WeakPolarHBondContact O-CB 3.18Å; D145-Q148 PolarHBondContact O-N 3.46Å
146D58.8Low65.8Low132 Ų132120.3 Ų120.371%0.70661%0.605SS**THydrogen-bonded Turntrans-56.6-17.1-176.5-79.5-27.7000112V144 Q148 L149V144-D146 PolarHBondContact O-N 3.06Å; V144-D146 VanDerWaalsContact O-N 3.11Å; D146-Q148 VanDerWaalsContact C-N 3.26Å; D146-Q148 PolarHBondContact O-N 3.45Å; D146-L149 PolarHBondContact O-N 3.42Å
147S61.4Low65.1Low79 Ų79123.5 Ų123.555%0.55263%0.626SS**THydrogen-bonded Turntrans-64.6-25.6171.386.60000113.7D145D145-S147 VanDerWaalsContact CG-OG 3.24Å; D145-S147 PolarHBondContact O-N 3.39Å; D145-S147 WeakPolarHBondContact OD2-CB 3.38Å; D145-S147 PolarHBondContact OD2-OG 3.16Å
148Q58.9Low64.7Low146 Ų146125.3 Ų125.368%0.68264%0.638SS**THydrogen-bonded Turntrans-88.4-14.4176.4-60-173.52.400112.8V144 D145 D146 S150V144-Q148 HydrophobicContact CG1-CB 4.16Å; D145-Q148 HydrophobicContact CB-CG 4.46Å; D145-Q148 WeakPolarHBondContact O-CB 3.18Å; D145-Q148 PolarHBondContact O-N 3.46Å; D146-Q148 VanDerWaalsContact C-N 3.26Å; D146-Q148 PolarHBondContact O-N 3.45Å; Q148-S150 PolarHBondContact O-N 3.21Å
149L63.6Low64.9Low111 Ų111125 Ų12558%0.58164%0.637SS**  trans-83.130.2172.1-71.8167.4000112.4V144 D146 H151V144-L149 HydrophobicContact CG1-CG 4.16Å; D146-L149 PolarHBondContact O-N 3.42Å; L149-H151 PolarHBondContact O-N 3.35Å
150S70.4Confident65.1Low53 Ų53123.7 Ų123.737%0.37164%0.635SS.*  trans-71.7118167.760.60000108.8Q148 L152Q148-S150 PolarHBondContact O-N 3.21Å; S150-L152 PolarHBondContact O-N 3.06Å; S150-L152 VanDerWaalsContact O-N 3.16Å
151H69.5Low65.3Low145 Ų145127.3 Ų127.367%0.67165%0.649SS**  trans-56125.3171.8-62.7-69000108.6L149 T153 R154L149-H151 PolarHBondContact O-N 3.35Å; H151-T153 PolarHBondContact O-N 2.89Å; H151-R154 HydrophobicContact CB-CB 4.4Å; H151-R154 WeakPolarHBondContact O-CB 3.14Å; H151-R154 PolarHBondContact O-N 3.09Å
152L72.1Confident65.2Low176 Ų176128.5 Ų128.592%0.92166%0.659SS**THydrogen-bonded Turntrans-52.5-20.8177.3-111.469000113.4S150S150-L152 PolarHBondContact O-N 3.06Å; S150-L152 VanDerWaalsContact O-N 3.16Å
153T68.4Low65.8Low96 Ų96133.8 Ų133.859%0.58967%0.668SS**THydrogen-bonded Turntrans-94.1-1.3178.350.80000114.2H151 D155 R156H151-T153 PolarHBondContact O-N 2.89Å; T153-D155 VanDerWaalsContact C-N 3.27Å; T153-D155 PolarHBondContact O-N 2.79Å; T153-R156 WeakPolarHBondContact O-CB 3.38Å; T153-R156 PolarHBondContact O-N 2.93Å
154R72.3Confident66.7Low166 Ų166136.7 Ų136.763%0.62667%0.671SS**THydrogen-bonded Turntrans-63.6-35.9-179.2-166.2-179.481.9161.21.9112.1H151H151-R154 HydrophobicContact CB-CB 4.4Å; H151-R154 WeakPolarHBondContact O-CB 3.14Å; H151-R154 PolarHBondContact O-N 3.09Å
155D70.1Confident67.4Low129 Ų129139.4 Ų139.469%0.6968%0.682SS**THydrogen-bonded Turntrans-98.54-178.2-53.3-26.7000111.9T153 V157T153-D155 VanDerWaalsContact C-N 3.27Å; T153-D155 PolarHBondContact O-N 2.79Å; D155-V157 PolarHBondContact O-N 3.14Å
156R77.2Confident68Low196 Ų196138.7 Ų138.774%0.7468%0.683SS**SBendtrans-64.9132.1171.3-161.5175.9-172.7-171.52.5107.9T153 K158T153-R156 WeakPolarHBondContact O-CB 3.38Å; T153-R156 PolarHBondContact O-N 2.93Å; R156-K158 PolarHBondContact O-N 3.02Å
157V70.4Confident69Low128 Ų128135.5 Ų135.578%0.77667%0.668SS**  trans-45.9113.1179.7177.40000109.5D155 I159D155-V157 PolarHBondContact O-N 3.14Å; V157-I159 PolarHBondContact O-N 3.32Å
158K71.3Confident69.7Low182 Ų182141.5 Ų141.579%0.79168%0.679SS**  trans-66.9100.2175.2-73.7-179.6179.2176.60107.4R156 P160R156-K158 PolarHBondContact O-N 3.02Å; K158-P160 WeakPolarHBondContact O-CD 3.49Å
159I70.3Confident70.5Confident128 Ų128136.8 Ų136.866%0.65667%0.67SS**  trans-59.6123.1172.9-57.2172.2000106.2V157 H161V157-I159 PolarHBondContact O-N 3.32Å; I159-H161 PolarHBondContact O-N 3.09Å; I159-H161 VanDerWaalsContact O-N 3.16Å; I159-H161 PolarHBondContact O-ND1 3.29Å
160P66.4Low71.1Confident88 Ų88137.7 Ų137.757%0.57167%0.671SS**  trans-57.8125.6178.921.1-30.7000108.7K158 N162K158-P160 WeakPolarHBondContact O-CD 3.49Å; P160-N162 PolarHBondContact O-N 2.78Å
161H62.2Low71.5Confident159 Ų159140.6 Ų140.674%0.73668%0.681SS**THydrogen-bonded Turntrans-7015.7-178.4-68.961.1000112.9I159 R163I159-H161 PolarHBondContact O-N 3.09Å; I159-H161 VanDerWaalsContact O-N 3.16Å; I159-H161 PolarHBondContact O-ND1 3.29Å; H161-R163 PolarHBondContact O-N 3.09Å
162N59Low71.6Confident156 Ų156138.6 Ų138.683%0.83468%0.675SS**THydrogen-bonded Turntrans-70.4-4.9172.8-65.2-30.7000112.3P160P160-N162 PolarHBondContact O-N 2.78Å
163R68.9Low71.3Confident216 Ų216132.7 Ų132.782%0.81565%0.652SS**SBendtrans-96.8120.9160.6-68.1-172.9-170.1-172.13.2108.6H161 L165H161-R163 PolarHBondContact O-N 3.09Å; R163-L165 PolarHBondContact O-N 3.07Å
164R70.8Confident71.1Confident212 Ų212132.9 Ų132.980%0.865%0.653SS**PPolyproline II helixtrans-46.2128.3174.3-168.6177.5-176.4-174.92.1109.5
165L73.4Confident70.5Confident133 Ų133127.2 Ų127.270%0.69665%0.646SS**PPolyproline II helixtrans-51.7139.4172.2-72.5165.8000108.9R163 T167R163-L165 PolarHBondContact O-N 3.07Å; L165-T167 PolarHBondContact O-N 3.37Å
166P73.4Confident69.9Low82 Ų82125.1 Ų125.153%0.53264%0.641SS.*PPolyproline II helixtrans-52.2119.4178.9-24.732.7000110H170 L171P166-H170 HydrophobicContact CB-CB 4.15Å; P166-L171 HydrophobicContact CB-CD2 4.03Å; P166-L171 HydrophobicContact CB-CG 4.15Å
167T79.3Confident68.9Low65 Ų65119.9 Ų119.940%0.39963%0.631SS.*PPolyproline II helixtrans-61.1152.5178-36.50000109L165 G169 H170 L171L165-T167 PolarHBondContact O-N 3.37Å; T167-G169 PolarHBondContact O-N 3.24Å; T167-H170 WeakPolarHBondContact O-CA 3.41Å; T167-H170 WeakPolarHBondContact O-CB 3.15Å; T167-H170 PolarHBondContact O-N 2.86Å; T167-L171 PolarHBondContact O-N 2.87Å; T167-L171 VanDerWaalsContact O-N 3.15Å
168R75.2Confident68Low204 Ų204118.7 Ų118.777%0.7763%0.629SS**Hα-helixtrans-45-37.1173.9-175.7-179.5175-158.3-1.1113L171 L172R168-L171 PolarHBondContact O-N 3.46Å; R168-L172 HydrophobicContact CG-CD1 4.07Å; R168-L172 WeakPolarHBondContact O-CB 3.43Å; R168-L172 VanDerWaalsContact O-CG 3.23Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.1Å
169G75.8Confident67.2Low48 Ų48115.1 Ų115.150%0.49563%0.626SS.*Hα-helixtrans-66.5-35.9174.100000115.1T167 L172 A173T167-G169 PolarHBondContact O-N 3.24Å; G169-L172 PolarHBondContact O-N 3.28Å; G169-A173 WeakPolarHBondContact O-CB 3.16Å; G169-A173 PolarHBondContact O-N 2.65Å
170H77.3Confident66.3Low130 Ų130113.4 Ų113.460%0.60263%0.626SS**Hα-helixtrans-66.6-42.9173.1-99.685.1000111.5P166 T167 L172 A173 V174P166-H170 HydrophobicContact CB-CB 4.15Å; T167-H170 WeakPolarHBondContact O-CA 3.41Å; T167-H170 WeakPolarHBondContact O-CB 3.15Å; T167-H170 PolarHBondContact O-N 2.86Å; H170-L172 VanDerWaalsContact C-N 3.33Å; H170-L172 PolarHBondContact O-N 3.37Å; H170-A173 PolarHBondContact O-N 3.23Å; H170-V174 WeakPolarHBondContact O-CG2 3.28Å; H170-V174 PolarHBondContact O-N 3.21Å; H170-V174 VanDerWaalsContact O-N 3.1Å
171L78.4Confident65.6Low114 Ų114116.9 Ų116.960%0.59764%0.639SS**Hα-helixtrans-63.7-41.1176.7-66.3174.6000111.4P166 T167 R168 G175P166-L171 HydrophobicContact CB-CD2 4.03Å; P166-L171 HydrophobicContact CB-CG 4.15Å; T167-L171 PolarHBondContact O-N 2.87Å; T167-L171 VanDerWaalsContact O-N 3.15Å; R168-L171 PolarHBondContact O-N 3.46Å; L171-G175 PolarHBondContact O-N 2.83Å; L171-G175 VanDerWaalsContact O-N 3.08Å
172L71.4Confident65.2Low102 Ų102112.7 Ų112.753%0.53464%0.64SS.*Hα-helixtrans-68.2-37175.1-70170.9000112R168 G169 H170 G175 S176R168-L172 HydrophobicContact CG-CD1 4.07Å; R168-L172 WeakPolarHBondContact O-CB 3.43Å; R168-L172 VanDerWaalsContact O-CG 3.23Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.1Å; G169-L172 PolarHBondContact O-N 3.28Å; H170-L172 VanDerWaalsContact C-N 3.33Å; H170-L172 PolarHBondContact O-N 3.37Å; L172-G175 PolarHBondContact O-N 2.81Å; L172-S176 VanDerWaalsContact O-CB 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.19Å; L172-S176 PolarHBondContact O-OG 3.3Å
173A66.9Low64.8Low53 Ų53112.8 Ų112.844%0.43864%0.637SS.*Hα-helixtrans-62.9-43.3176.700000112.2G169 H170 S176 T177G169-A173 WeakPolarHBondContact O-CB 3.16Å; G169-A173 PolarHBondContact O-N 2.65Å; H170-A173 PolarHBondContact O-N 3.23Å; A173-S176 PolarHBondContact O-N 3.21Å; A173-T177 WeakPolarHBondContact O-CG2 3.23Å; A173-T177 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-OG1 3Å
174V63.6Low64.1Low100 Ų100110.1 Ų110.161%0.60664%0.638SS**Hα-helixtrans-66.8-38.9175.8176.50000111.5H170 S176 T177 S178H170-V174 WeakPolarHBondContact O-CG2 3.28Å; H170-V174 PolarHBondContact O-N 3.21Å; H170-V174 VanDerWaalsContact O-N 3.1Å; V174-S176 VanDerWaalsContact C-N 3.35Å; V174-T177 WeakPolarHBondContact CA-OG1 3.41Å; V174-T177 PolarHBondContact O-N 3Å; V174-T177 PolarHBondContact O-OG1 3.42Å; V174-S178 PolarHBondContact O-N 3.46Å
175G60.2Low63.1Low47 Ų47105.7 Ų105.749%0.48563%0.634SS.*Hα-helixtrans-65.1-37.8173.300000112.8L171 L172 S178L171-G175 PolarHBondContact O-N 2.83Å; L171-G175 VanDerWaalsContact O-N 3.08Å; L172-G175 PolarHBondContact O-N 2.81Å; G175-S178 PolarHBondContact O-N 2.81Å
176S57Low62Low84 Ų84107 Ų10759%0.58764%0.641SS**Hα-helixtrans-75.1-29.2177.8-64.30000113.2L172 A173 V174 S178L172-S176 VanDerWaalsContact O-CB 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.19Å; L172-S176 PolarHBondContact O-OG 3.3Å; A173-S176 PolarHBondContact O-N 3.21Å; V174-S176 VanDerWaalsContact C-N 3.35Å; S176-S178 VanDerWaalsContact C-N 3.25Å
177T55.3Low60.9Low87 Ų87110.4 Ų110.453%0.53466%0.655SS.*Hα-helixtrans-73.6-20.1169.855.30000112.5A173 V174 S179A173-T177 WeakPolarHBondContact O-CG2 3.23Å; A173-T177 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-OG1 3Å; V174-T177 WeakPolarHBondContact CA-OG1 3.41Å; V174-T177 PolarHBondContact O-N 3Å; V174-T177 PolarHBondContact O-OG1 3.42Å; T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.29Å
178S52.3Low59.4Low103 Ų103114.6 Ų114.672%0.7267%0.674SS**THydrogen-bonded Turntrans-83.80.9-178.5-159.10000114.2V174 G175 S176V174-S178 PolarHBondContact O-N 3.46Å; G175-S178 PolarHBondContact O-N 2.81Å; S176-S178 VanDerWaalsContact C-N 3.25Å
179S53.5Low57.9Low106 Ų106112 Ų11274%0.74167%0.674SS**THydrogen-bonded Turntrans-109.412.6173.385.20000114.3T177T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.29Å
180S51.3Low56.3Low93 Ų93118 Ų11865%0.6569%0.689SS**SBendtrans-111.2122170.3-169.20000109.6G182S180-G182 PolarHBondContact O-N 3.5Å; S180-G182 VanDerWaalsContact O-N 3.08Å
181D53.4Low54.9Low160 Ų160119.9 Ų119.986%0.85670%0.699SS**  trans-43106178.6-153.67.7000112.3M183D181-M183 PolarHBondContact O-N 3.16Å
182G53.7Low53Low72 Ų72123 Ų12374%0.74271%0.71SS**SBendtrans57.824.7143.600000122.1S180S180-G182 PolarHBondContact O-N 3.5Å; S180-G182 VanDerWaalsContact O-N 3.08Å
183M50.7Low51.6Low158 Ų158125.4 Ų125.478%0.77872%0.723SS**  trans-144.698.6170.6-72.5-171.259.900113.8D181 T185D181-M183 PolarHBondContact O-N 3.16Å; M183-T185 HydrophobicContact CE-CG2 4.43Å
184L53.7Low49.9Very low160 Ų160128.6 Ų128.684%0.83874%0.742SS**  trans-103.590.4160.5-84.8163.7000108.3L186L184-L186 PolarHBondContact O-N 2.76Å
185T49.2Very low48.4Very low118 Ų118128.2 Ų128.272%0.72475%0.75SS**  trans-75.4109.6162.936.90000108.2M183 D187M183-T185 HydrophobicContact CE-CG2 4.43Å; T185-D187 PolarHBondContact O-N 3.02Å; T185-D187 VanDerWaalsContact O-N 3.16Å
186L50.1Low47.2Very low161 Ų161131.2 Ų131.284%0.84376%0.764SS**  trans-59.9111.3166.9-77.2158.9000108.3L184 L188L184-L186 PolarHBondContact O-N 2.76Å; L186-L188 VanDerWaalsContact C-N 3.35Å; L186-L188 PolarHBondContact O-N 3.09Å
187D51.3Low46.1Very low153 Ų153136.1 Ų136.182%0.81878%0.777SS**  trans-74.292.5172.4-150.313.6000107.7T185 I189T185-D187 PolarHBondContact O-N 3.02Å; T185-D187 VanDerWaalsContact O-N 3.16Å; D187-I189 PolarHBondContact O-N 3.39Å
188L48.1Very low45Very low153 Ų153141.6 Ų141.680%0.80179%0.793SS**  trans-75.1103.3169-73.5168000106.5L186 Q190L186-L188 VanDerWaalsContact C-N 3.35Å; L186-L188 PolarHBondContact O-N 3.09Å; L188-Q190 PolarHBondContact O-N 3.34Å
189I42.7Very low44Very low149 Ų149140 Ų14076%0.76479%0.792SS**  trans-59104.7168.6-53.3168.5000106.6D187 E191D187-I189 PolarHBondContact O-N 3.39Å; I189-E191 PolarHBondContact O-N 2.89Å
190Q41.8Very low43Very low175 Ų175143.3 Ų143.382%0.81880%0.8SS**  trans-80.799.9170.5-173.61692.800107.5L188 E192L188-Q190 PolarHBondContact O-N 3.34Å; Q190-E192 PolarHBondContact O-N 2.95Å
191E48.3Very low42.2Very low170 Ų170143.3 Ų143.379%0.79481%0.805SS**  trans-69.6113.6158.3-62.3-175165.600107.2I189I189-E191 PolarHBondContact O-N 2.89Å
192E38.5Very low41.2Very low180 Ų180141.6 Ų141.684%0.84181%0.806SS**  trans179.5109.8141.4-99.2177.7142.600112.5Q190Q190-E192 PolarHBondContact O-N 2.95Å
193D42.2Very low40.3Very low151 Ų151147.1 Ų147.181%0.80781%0.813SS**  trans24115.9137-150.711.2000120.8
194S32Very low40.2Very low120 Ų120144.4 Ų144.484%0.83981%0.807SS**  -174.4135.9127.221.40000113.4
195A30.9Very low39.6Very low93 Ų93142.7 Ų142.777%0.76981%0.805SS**  trans-69.1151-177.200000115.4
196S34.5Very low38.7Very low110 Ų110141.7 Ų141.777%0.76981%0.809SS**  172.1110.7123.858.60000114.6
197H34.8Very low38.3Very low187 Ų187145.5 Ų145.587%0.86681%0.812SS**  trans49.2139.1133.5-91.9-82.1000126.3
198K31.2Very low37.6Very low202 Ų202144.3 Ų144.388%0.87881%0.813SS**  trans81.2121.8159.3-77.2-177.1170.9-174.40116.4
199G31.2Very low36.9Very low68 Ų68140.2 Ų140.270%0.70181%0.808SS**  cis118.8110.312.600000110
200I33.1Very low37.4Very low177 Ų177138.5 Ų138.591%0.90881%0.806SS**  trans-179.3135.1141.2-89.7151.5000108.5
201A34.5Very low36.8Very low92 Ų92137.3 Ų137.376%0.7681%0.805SS**  trans-97.2153-173.300000112.9
202S31.9Very low36.3Very low125 Ų125134.8 Ų134.887%0.87481%0.805SS**  trans-16514414637.60000111.4
203E35.3Very low36.3Very low187 Ų187132.5 Ų132.587%0.87481%0.806SS**  trans-76171.7-159.4-105.3-150.6125.100118.3
204P48.2Very low36Very low101 Ų101136.7 Ų136.766%0.65681%0.81SS**  trans-94.7-179.9-175.340.1-33.5000113.7
205P42Very low36.2Very low124 Ų124135.9 Ų135.981%0.80581%0.805SS**  -152.8167.8112.935.4-16.1000117.9
206A30.8Very low36.3Very low97 Ų97140 Ų14080%0.80281%0.808SS**  trans90.8102147.300000120.6
207R40.1Very low36.2Very low242 Ų242139.2 Ų139.291%0.91380%0.799SS**  trans-81157.5146-65.7-178.2178.1-172.1-0.5109.3
208P38.2Very low36Very low128 Ų128137.9 Ų137.983%0.83180%0.798SS**  -142.3142.1108.723.5-3.5000114.1
209G31.7Very low35.9Very low67 Ų67131.3 Ų131.369%0.69179%0.788SS**  trans-95.7-164.3146.600000108.9
210P53.4Low36Very low113 Ų113133.2 Ų133.273%0.73479%0.79SS**  cis-124179.8-0.524.81.7000110.8
211D29.8Very low36.1Very low150 Ų150132.1 Ų132.180%0.80279%0.786SS**  -174.8139.194.3-85.4-29.9000112.4
212C37.5Very low35.9Very low116 Ų116132 Ų13278%0.78479%0.785SS**  trans-86.9169.6163.6-63.80000109.9
213P37.8Very low35.9Very low133 Ų133132 Ų13286%0.86478%0.775SS**  -131.1137.412433.1-22.2000112.7
214R37Very low35.7Very low238 Ų238132.6 Ų132.690%0.89877%0.769SS**  trans-125.7126.2169.8-170.3-173.1-167.9-173.54106.8
215S35.4Very low34.8Very low104 Ų104133.9 Ų133.973%0.72778%0.775SS**  trans-150.2110.1161.8-41.60000106.8
216Q32.8Very low34.2Very low180 Ų180132.6 Ų132.684%0.84178%0.775SS**  75.5135.791.3-76.7-161.331.900111.6
217T32.9Very low34.3Very low92 Ų92137.1 Ų137.156%0.56478%0.78SS**  cis-179.8154.912.9-880000107.7
218D31.2Very low33.9Very low159 Ų159131 Ų13185%0.8577%0.774SS**  trans53.4152.7157.3-62.5-19.2000120.8
219G29.8Very low33.4Very low64 Ų64130 Ų13066%0.6677%0.77SS**  cis174.3128.46.200000104.9
220S31.8Very low33.3Very low108 Ų108131.9 Ų131.976%0.75577%0.772SS**  89.3121.697.6-149.40000115.1
221L35.2Very low32.2Very low155 Ų155135.8 Ų135.881%0.81278%0.778SS**  trans74.6116.2148.4-61.8165.2000119
222A32.1Very low32.2Very low90 Ų90133.3 Ų133.374%0.74477%0.772SS**  82.2151.384.900000110.5
223D30.1Very low31.7Very low124 Ų124136.1 Ų136.166%0.66377%0.774SS**  cis-169.4167.78.2-163.93.3000105.6
224R32.7Very low31.3Very low200 Ų200134.9 Ų134.976%0.75577%0.768SS**  trans68.6114.2151.7-52.2-142.9168.4-161.8-13.4120.3
225T28.4Very low31.4Very low127 Ų127131.3 Ų131.378%0.77977%0.766SS**  88.6116.488.4-53.50000112
226A30.4Very low31.9Very low97 Ų97132 Ų13280%0.80277%0.768SS**  162.2147.7118.300000111.9
227E31.9Very low31.8Very low193 Ų193129 Ų12990%0.90277%0.766SS**  trans-65.3154.3-170-56.4170.8104.600115.5
228S31.9Very low31.5Very low114 Ų114132.5 Ų132.580%0.79778%0.776SS**  trans-168.1118.9135.950.20000108
229S28.1Very low31.3Very low107 Ų107130.2 Ų130.275%0.74877%0.768SS**  84.1111.285.3-166.80000113.6
230S29.1Very low31.4Very low105 Ų105132.2 Ų132.273%0.73478%0.778SS**  trans72.4107.7140.6-53.70000121.1
231K30.8Very low31.2Very low196 Ų196131.7 Ų131.785%0.85277%0.77SS**  68.7126.7120.8-126.3-179.3178.3164.80121
232S29.2Very low30.8Very low97 Ų97136.5 Ų136.568%0.67878%0.778SS**  trans89145.7141.9-59.80000120.4
233Q27.8Very low30.7Very low176 Ų176139.9 Ų139.982%0.82278%0.778SS**  trans95.1102.3144.1-94.8172.5-24.200119.9
234S29.5Very low30.8Very low107 Ų107143.5 Ų143.575%0.74879%0.788SS**  63.7130.8123.752.50000121.8
235L37.8Very low30.4Very low163 Ų163140.8 Ų140.885%0.85379%0.793SS**  trans-45.4-178.4157.3-49.2167000113.2
236P47.1Very low30.2Very low117 Ų117138 Ų13876%0.7679%0.79SS**  cis-143.4-175.14.136.2-13.2000114.8
237C30Very low30.1Very low119 Ų119138.3 Ų138.380%0.80479%0.793SS**  trans-162.4150.9149.9-103.30000109.4
238E27.7Very low29.8Very low165 Ų165133.4 Ų133.477%0.77179%0.785SS**  cis-166.2139.8-30.5-172.8172.515400106.5
239T27Very low29.7Very low111 Ų111137 Ų13768%0.68179%0.789SS**  trans-34150.9157.715.90000118.2V241T239-V241 HydrophobicContact CG2-CG2 4.42Å
240A30.2Very low29.9Very low106 Ų106138.1 Ų138.188%0.87679%0.792SS**  trans-143.5121.513500000110.9
241V29.2Very low30Very low97 Ų97139 Ų13959%0.58880%0.796SS**  trans-93.8148.5178.8161.30000109T239 Q243T239-V241 HydrophobicContact CG2-CG2 4.42Å; V241-Q243 HydrophobicContact CG1-CG 4.35Å
242W26.7Very low29.9Very low256 Ų256138.1 Ų138.197%0.9779%0.794SS**  trans-147.2147.1140-93.190.3000112.2
243Q29.1Very low30Very low161 Ų161143.1 Ų143.175%0.75281%0.807SS**  trans-96.5146.6-159.6-71.8169.9-600115.4V241V241-Q243 HydrophobicContact CG1-CG 4.35Å
244K33.3Very low30Very low199 Ų199141 Ų14187%0.86580%0.801SS**  trans19.2131130.9-151.4174.4-169.7-179.70120.1
245T23.9Very low30.2Very low143 Ų143145.3 Ų145.388%0.87780%0.801SS**  trans-169.1127.5130.2-65.80000112.7
246G24.3Very low29.8Very low69 Ų69147.4 Ų147.471%0.71180%0.798SS**  trans54.1120.7131.700000126.1
247A27.7Very low29.5Very low103 Ų103150.2 Ų150.285%0.85181%0.805SS**  73.1126.612800000123.9
248A26.4Very low29.4Very low91 Ų91148 Ų14875%0.75280%0.803SS**  trans56120.3144.600000120.8
249Q28.9Very low30.3Very low188 Ų188145.6 Ų145.688%0.87981%0.811SS**  171.5133.7117.6-91.3175.917.900111.7
250T31.6Very low30.7Very low131 Ų131144.1 Ų144.180%0.80481%0.81SS**  trans-57.7158.9161.133.70000112.2
251P32.7Very low31.6Very low125 Ų125148.4 Ų148.481%0.81281%0.812SS**  -139.3142.9107.432.5-17.6000114.4
252Q27.4Very low32Very low177 Ų177151.3 Ų151.383%0.82782%0.816SS**  trans-58.6144159.3-86.7-174.3-108.100111
253Q32.1Very low33.2Very low202 Ų202147.2 Ų147.294%0.94481%0.814SS**  trans-134132.2144-109.8-177.1-17.600109.9
254D28.6Very low34Very low131 Ų131149.9 Ų149.970%0.70182%0.817SS**  trans-99.4152.4-173.7-17321.6000110.9
255R32.6Very low34.4Very low198 Ų198146.7 Ų146.775%0.74782%0.818SS**  trans79.4120.1153.8-97.1175.9170.5-177.60.4124.1
256R30.1Very low35.2Very low207 Ų207144.2 Ų144.278%0.78181%0.812SS**  105.798.9126.4-100.3-179.3-177.6-115.92.5119.6
257L40.6Very low36.3Very low176 Ų176144.9 Ų144.992%0.92181%0.806SS**  trans27.5119.9132.8-56.1175.1000119.5
258G28.2Very low37.2Very low73 Ų73147.1 Ų147.175%0.75380%0.801SS**  trans-159.5117.2156.700000109.9A260G258-A260 PolarHBondContact O-N 2.74Å
259A45.1Very low38.5Very low114 Ų114148.8 Ų148.894%0.94280%0.797SS**  trans-61.3123.2176.500000110.3
260A35.1Very low39.4Very low79 Ų79147.9 Ų147.965%0.65379%0.792SS**  trans-154.9126.3165.400000108.5G258 K262G258-A260 PolarHBondContact O-N 2.74Å; A260-K262 PolarHBondContact O-N 3.39Å
261E49.2Very low40.1Very low196 Ų196148.3 Ų148.392%0.91679%0.788SS**  trans-35.1128.3169.8-74165118.600112.2
262K39Very low40.7Very low158 Ų158148.5 Ų148.569%0.68778%0.782SS**  trans-137.7105.7164.6-65.8-174-178.4-1780109.1A260 R264A260-K262 PolarHBondContact O-N 3.39Å; K262-R264 HydrophobicContact CB-CG 4.41Å; K262-R264 PolarHBondContact O-N 2.84Å; K262-R264 VanDerWaalsContact O-N 3.17Å
263N52.3Low41.4Very low171 Ų171147.4 Ų147.491%0.91478%0.782SS**  trans-35.7116.2144.4-65.8-54000108.6
264R44.1Very low42Very low217 Ų217143.3 Ų143.382%0.81977%0.773SS**  trans-123.7107.1170.5-70.8-168.7-160.2-165.76.1108.4K262 A266K262-R264 HydrophobicContact CB-CG 4.41Å; K262-R264 PolarHBondContact O-N 2.84Å; K262-R264 VanDerWaalsContact O-N 3.17Å; R264-A266 PolarHBondContact O-N 3.46Å
265C41.8Very low42.5Very low131 Ų131145 Ų14589%0.88578%0.782SS**PPolyproline II helixtrans-52.3124.3155.6-57.10000108S267C265-S267 PolarHBondContact O-N 3.17Å
266A41.3Very low42.9Very low91 Ų91140.1 Ų140.175%0.75278%0.784SS**PPolyproline II helixtrans-67.7128.4171.700000109R264R264-A266 PolarHBondContact O-N 3.46Å
267S48.3Very low43.4Very low83 Ų83140 Ų14058%0.5879%0.789SS**PPolyproline II helixtrans-68141174.6-165.40000109.9C265 D269C265-S267 PolarHBondContact O-N 3.17Å; S267-D269 PolarHBondContact O-N 3.49Å; S267-D269 PolarHBondContact OG-OD2 2.82Å
268M46.4Very low43.2Very low151 Ų151139.1 Ų139.174%0.74479%0.785SS**THydrogen-bonded Turntrans-67.79.6-174.9-156.6-175.974.600114.6
269D53.1Low43.5Very low126 Ų126144.9 Ų144.967%0.67479%0.792SS**THydrogen-bonded Turntrans-98.5-10.8-175.7-64-69.8000113.5S267S267-D269 PolarHBondContact O-N 3.49Å; S267-D269 PolarHBondContact OG-OD2 2.82Å
270E46.9Very low43.1Very low168 Ų168145.7 Ų145.779%0.78579%0.786SS**G310 helixtrans-84.9-11.9-179.8-159.5169.8-174.200113.3L272E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.42Å
271I48Very low43.3Very low140 Ų140147.8 Ų147.872%0.71879%0.793SS**G310 helixtrans-84.2-8-178-47175.5000111.7
272L44.2Very low42.7Very low129 Ų129146.5 Ų146.568%0.67579%0.792SS**G310 helixtrans-112.88.6-167-65.1-180000116.4E270E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.42Å
273N43.2Very low42.3Very low155 Ų155142.4 Ų142.483%0.82979%0.794SS**  trans-13798.4174.9-103.85.4000112.8
274P43.1Very low41.8Very low115 Ų115141.4 Ų141.475%0.74780%0.795SS**  trans-101.283.8163.835.3-24.3000109.4
275D40.7Very low41.8Very low168 Ų168134.5 Ų134.590%0.89879%0.791SS**  trans-162.190.3160-103.6-39.5000111.1
276A40.8Very low41.9Very low95 Ų95139 Ų13979%0.78579%0.789SS**SBendtrans-176117.6141.100000111.8
277K39.6Very low42.2Very low204 Ų204140.6 Ų140.689%0.88779%0.79SS**  trans97.186.5157.8-63-177.5177.4179.40118.6
278N37.3Very low42.3Very low157 Ų157140.7 Ų140.784%0.8480%0.796SS**  trans-18.8129.6144.4-60.1-22.2000116.8
279Q34.1Very low42.6Very low195 Ų195136.9 Ų136.991%0.91179%0.788SS**  -158105.3123.7-106.4172.179.600109.2
280T36.4Very low43.2Very low130 Ų130135 Ų13580%0.79878%0.783SS**  trans-68.1150.1162.640.40000110
281P39.7Very low44.2Very low124 Ų124130.4 Ų130.481%0.80576%0.763SS**  -125.6151.6103.734.9-28.7000112.7
282N36.3Very low45.7Very low169 Ų169126.1 Ų126.190%0.90475%0.753SS**  trans-40142.6171.6-80.5-27000114
283G29.7Very low47.4Very low71 Ų71127.2 Ų127.273%0.73275%0.749SS**  trans176.290.2169.200000112.5
284T43.5Very low48.9Very low151 Ų151124.2 Ų124.293%0.92673%0.732SS**  trans-35.1135.2169.4-39.40000114.2
285G42.7Very low50.6Low71 Ų71120.5 Ų120.573%0.73271%0.705SS**  trans80.286156.100000117.6
286R44.9Very low52.7Low225 Ų225118 Ų11885%0.84969%0.688SS**  trans-135.875.9166.2-91.3171.565.5-158.12.1111.9
287T46.8Very low54.4Low126 Ų126117 Ų11777%0.77367%0.669SS**SBendtrans-132.36.6161.952.90000113.8
288A50.2Low56.1Low85 Ų85109.9 Ų109.970%0.70264%0.64SS**SBendtrans-105-21.9177.100000114.6P290A288-P290 VanDerWaalsContact C-CD 3.42Å
289A53.8Low58.2Low70 Ų70105.8 Ų105.858%0.57962%0.618SS**Hα-helixtrans-81.6-12.5-17400000118.9
290P66.1Low60.6Low88 Ų88102.3 Ų102.357%0.57160%0.602SS**Hα-helixtrans-74.3-34.5179.8-14.727.6000113.9A288 L294A288-P290 VanDerWaalsContact C-CD 3.42Å; P290-L294 PolarHBondContact O-N 3.23Å
291L67.2Low62.3Low71 Ų71102.7 Ų102.737%0.37259%0.592SS.*Hα-helixtrans-73.2-42.4-174.4-82.5160.9000112.4R293 L294 Q295 L353L291-R293 VanDerWaalsContact C-N 3.3Å; L291-R293 PolarHBondContact O-N 3.03Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-L294 VanDerWaalsContact O-N 3.17Å; L291-Q295 PolarHBondContact O-N 3.31Å; L291-L353 HydrophobicContact CD2-CD2 4.16Å
292G79.8Confident64.1Low49 Ų4999 Ų9951%0.50557%0.565SS.*Hα-helixtrans-61.5-39.1177.400000112.3Q295 E296G292-Q295 PolarHBondContact O-N 3.48Å; G292-E296 WeakPolarHBondContact O-CB 3.37Å; G292-E296 PolarHBondContact O-N 3.39Å
293R79Confident66.2Low152 Ų15295.1 Ų95.157%0.57454%0.542SS*.Hα-helixtrans-66.3-37.2175.4-178.456.1173.1-153.7-2.4112.6L291 E296 L297L291-R293 VanDerWaalsContact C-N 3.3Å; L291-R293 PolarHBondContact O-N 3.03Å; R293-E296 IonicContact NH1-OE2 3Å; R293-E296 PolarHBondContact NH1-OE2 3.19Å; R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 3.12Å; R293-L297 VanDerWaalsContact O-N 3.16Å
294L76Confident68.2Low92 Ų9299.7 Ų99.748%0.48254%0.537SS..Hα-helixtrans-68.2-42.1176-175.762.7000111P290 L291 E296 L297 I298P290-L294 PolarHBondContact O-N 3.23Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-L294 VanDerWaalsContact O-N 3.17Å; L294-E296 PolarHBondContact O-N 3.21Å; L294-L297 PolarHBondContact O-N 3.24Å; L294-I298 HydrophobicContact CD1-CD1 4.41Å; L294-I298 HydrophobicContact CG-CD1 3.98Å; L294-I298 WeakPolarHBondContact O-CD1 3.33Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 2.73Å
295Q78.4Confident69.5Low38 Ų3895.8 Ų95.818%0.17851%0.513CS..Hα-helixtrans-59-46.5175.6-171.561.259.400111.4L291 G292 L297 I298 D299 R350L291-Q295 PolarHBondContact O-N 3.31Å; G292-Q295 PolarHBondContact O-N 3.48Å; Q295-L297 VanDerWaalsContact C-N 3.34Å; Q295-L297 PolarHBondContact O-N 3.3Å; Q295-I298 WeakPolarHBondContact O-CB 3.49Å; Q295-I298 PolarHBondContact O-N 2.79Å; Q295-I298 VanDerWaalsContact O-N 3.14Å; Q295-D299 PolarHBondContact NE2-OD1 2.83Å; Q295-D299 PolarHBondContact O-N 2.83Å; Q295-R350 VanDerWaalsContact CD-NH1 3.3Å
296E84.1Confident70.9Confident116 Ų11697.7 Ų97.754%0.54250%0.503SS..Hα-helixtrans-60.3-40.8177.8-173.9-179-146.200112.6G292 R293 L294 I298 D299 Q300G292-E296 WeakPolarHBondContact O-CB 3.37Å; G292-E296 PolarHBondContact O-N 3.39Å; R293-E296 IonicContact NH1-OE2 3Å; R293-E296 PolarHBondContact NH1-OE2 3.19Å; L294-E296 PolarHBondContact O-N 3.21Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-D299 PolarHBondContact O-N 2.91Å; E296-Q300 WeakPolarHBondContact O-CB 3.06Å; E296-Q300 PolarHBondContact O-N 2.97Å
297L76Confident72.3Confident73 Ų7394.1 Ų94.138%0.38249%0.489SS..Hα-helixtrans-66.7-36.5176-74.9171.8000112.5R293 L294 Q295 K301R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 3.12Å; R293-L297 VanDerWaalsContact O-N 3.16Å; L294-L297 PolarHBondContact O-N 3.24Å; Q295-L297 VanDerWaalsContact C-N 3.34Å; Q295-L297 PolarHBondContact O-N 3.3Å; L297-K301 VanDerWaalsContact O-CG 3.26Å; L297-K301 WeakPolarHBondContact O-CG 3.49Å; L297-K301 PolarHBondContact O-N 2.86Å; L297-K301 VanDerWaalsContact O-N 3.07Å
298I76.9Confident73.2Confident54 Ų5492.6 Ų92.628%0.27748%0.476SS..Hα-helixtrans-66.6-48176.7-69.9164.5000109.7L294 Q295 E296 Q300 K301 L302L294-I298 HydrophobicContact CD1-CD1 4.41Å; L294-I298 HydrophobicContact CG-CD1 3.98Å; L294-I298 WeakPolarHBondContact O-CD1 3.33Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 2.73Å; Q295-I298 WeakPolarHBondContact O-CB 3.49Å; Q295-I298 PolarHBondContact O-N 2.79Å; Q295-I298 VanDerWaalsContact O-N 3.14Å; E296-I298 VanDerWaalsContact C-N 3.34Å; I298-Q300 VanDerWaalsContact C-N 3.3Å; I298-Q300 PolarHBondContact O-N 3.28Å; I298-K301 PolarHBondContact O-N 3.32Å; I298-K301 VanDerWaalsContact O-N 3.13Å; I298-L302 WeakPolarHBondContact O-CB 3.35Å; I298-L302 PolarHBondContact O-N 2.9Å
299D81.7Confident73.7Confident71 Ų7192.3 Ų92.338%0.3846%0.462SS..Hα-helixtrans-61.4-40.5-179.9-61.3-17.8000110.8Q295 E296 K301 L302 E303Q295-D299 PolarHBondContact NE2-OD1 2.83Å; Q295-D299 PolarHBondContact O-N 2.83Å; E296-D299 PolarHBondContact O-N 2.91Å; D299-K301 PolarHBondContact O-N 3.32Å; D299-L302 PolarHBondContact O-N 2.63Å; D299-E303 PolarHBondContact O-N 3.07Å
300Q82.9Confident74.7Confident123 Ų12394.9 Ų94.958%0.57547%0.466SS*.Hα-helixtrans-63.5-40.7174.6-177.9-178.974.400113E296 I298 L302 R304E296-Q300 WeakPolarHBondContact O-CB 3.06Å; E296-Q300 PolarHBondContact O-N 2.97Å; I298-Q300 VanDerWaalsContact C-N 3.3Å; I298-Q300 PolarHBondContact O-N 3.28Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-R304 PolarHBondContact O-N 3.43Å
301K73.9Confident74.7Confident138 Ų13896.4 Ų96.460%0.647%0.465SS*.Hα-helixtrans-67.4-36.6177.5-73.6-71.7-178.4-176.20111.1L297 I298 D299 R304 T305L297-K301 VanDerWaalsContact O-CG 3.26Å; L297-K301 WeakPolarHBondContact O-CG 3.49Å; L297-K301 PolarHBondContact O-N 2.86Å; L297-K301 VanDerWaalsContact O-N 3.07Å; I298-K301 PolarHBondContact O-N 3.32Å; I298-K301 VanDerWaalsContact O-N 3.13Å; D299-K301 PolarHBondContact O-N 3.32Å; K301-R304 PolarHBondContact O-N 3.5Å; K301-T305 PolarHBondContact O-N 3.46Å; K301-T305 PolarHBondContact O-OG1 3.08Å
302L76Confident74.6Confident45 Ų4597.5 Ų97.524%0.23648%0.475CS..Hα-helixtrans-65.6-49.7177.3-167.4158.8000111.5I298 D299 Q300 R304 T305 E306 W346I298-L302 WeakPolarHBondContact O-CB 3.35Å; I298-L302 PolarHBondContact O-N 2.9Å; D299-L302 PolarHBondContact O-N 2.63Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; L302-R304 PolarHBondContact O-N 3.26Å; L302-T305 WeakPolarHBondContact CA-OG1 3.16Å; L302-T305 WeakPolarHBondContact O-CA 3.25Å; L302-T305 PolarHBondContact O-N 2.96Å; L302-T305 PolarHBondContact O-OG1 2.84Å; L302-E306 HydrophobicContact CD2-CG 3.95Å; L302-E306 WeakPolarHBondContact CD2-OE1 3.45Å; L302-E306 PolarHBondContact O-N 3.37Å; L302-W346 HydrophobicContact CD1-CD2 4.1Å; L302-W346 HydrophobicContact CD1-CG 4.42Å; L302-W346 HydrophobicContact CD1-CZ2 3.99Å
303E81.3Confident73.7Confident88 Ų88104.6 Ų104.641%0.41149%0.486SS..Hα-helixtrans-59.4-36.9178-166-164.3-161.900111.5D299 E306 R307D299-E303 PolarHBondContact O-N 3.07Å; E303-E306 PolarHBondContact O-N 3.26Å; E303-R307 VanDerWaalsContact CD-CZ 3.42Å; E303-R307 WeakPolarHBondContact O-CG 3.19Å; E303-R307 PolarHBondContact O-N 3.38Å; E303-R307 IonicContact OE1-CZ 3.99Å; E303-R307 VanDerWaalsContact OE1-CZ 3.31Å; E303-R307 IonicContact OE1-NH1 2.83Å; E303-R307 PolarHBondContact OE1-NH1 3.09Å; E303-R307 IonicContact OE1-NH2 3.81Å; E303-R307 PolarHBondContact OE1-NH2 2.84Å; E303-R307 IonicContact OE2-CZ 3.82Å; E303-R307 IonicContact OE2-NH1 3.58Å; E303-R307 PolarHBondContact OE2-NH1 2.87Å; E303-R307 IonicContact OE2-NH2 3.36Å; E303-R307 PolarHBondContact OE2-NH2 3.48Å
304R70.3Confident72.7Confident168 Ų168102 Ų10263%0.63449%0.487SS*.Hα-helixtrans-65.2-40.4174.3-168.1-179-175.198.52.2112.1Q300 K301 L302 L308Q300-R304 PolarHBondContact O-N 3.43Å; K301-R304 PolarHBondContact O-N 3.5Å; L302-R304 PolarHBondContact O-N 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.3Å; R304-L308 PolarHBondContact O-N 2.97Å
305T71Confident71.6Confident69 Ų69104.1 Ų104.142%0.42350%0.499SS..Hα-helixtrans-66.1-43.4175.648.80000111.6K301 L302 R307 L308 L309K301-T305 PolarHBondContact O-N 3.46Å; K301-T305 PolarHBondContact O-OG1 3.08Å; L302-T305 WeakPolarHBondContact CA-OG1 3.16Å; L302-T305 WeakPolarHBondContact O-CA 3.25Å; L302-T305 PolarHBondContact O-N 2.96Å; L302-T305 PolarHBondContact O-OG1 2.84Å; T305-R307 PolarHBondContact O-N 2.95Å; T305-L308 PolarHBondContact O-N 3.03Å; T305-L309 WeakPolarHBondContact O-CG 3.35Å; T305-L309 PolarHBondContact O-N 3.31Å
306E72.3Confident70.5Confident111 Ų111103.9 Ų103.952%0.51950%0.504SS..Hα-helixtrans-61.9-40.6177.6-74.2-176.6161.100113L302 E303 L308 L309 L310L302-E306 HydrophobicContact CD2-CG 3.95Å; L302-E306 WeakPolarHBondContact CD2-OE1 3.45Å; L302-E306 PolarHBondContact O-N 3.37Å; E303-E306 PolarHBondContact O-N 3.26Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 2.97Å; E306-L309 WeakPolarHBondContact O-CB 3.22Å; E306-L309 PolarHBondContact O-N 3.47Å; E306-L309 VanDerWaalsContact O-N 3.16Å; E306-L310 PolarHBondContact O-N 3.36Å
307R74.7Confident68.8Low149 Ų149106.3 Ų106.356%0.56252%0.515SS*.Hα-helixtrans-58.8-45.4174.4-76.3-177.1179.2115.13.2112.1E303 T305 L309 L310 E311E303-R307 VanDerWaalsContact CD-CZ 3.42Å; E303-R307 WeakPolarHBondContact O-CG 3.19Å; E303-R307 PolarHBondContact O-N 3.38Å; E303-R307 IonicContact OE1-CZ 3.99Å; E303-R307 VanDerWaalsContact OE1-CZ 3.31Å; E303-R307 IonicContact OE1-NH1 2.83Å; E303-R307 PolarHBondContact OE1-NH1 3.09Å; E303-R307 IonicContact OE1-NH2 3.81Å; E303-R307 PolarHBondContact OE1-NH2 2.84Å; E303-R307 IonicContact OE2-CZ 3.82Å; E303-R307 IonicContact OE2-NH1 3.58Å; E303-R307 PolarHBondContact OE2-NH1 2.87Å; E303-R307 IonicContact OE2-NH2 3.36Å; E303-R307 PolarHBondContact OE2-NH2 3.48Å; T305-R307 PolarHBondContact O-N 2.95Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 2.74Å; R307-L310 PolarHBondContact O-N 2.94Å; R307-E311 PolarHBondContact O-N 2.91Å; R307-E311 VanDerWaalsContact O-N 3.09Å
308L66.9Low67.9Low94 Ų94108.2 Ų108.249%0.49253%0.532SS..Hα-helixtrans-64-32.7177.2-69.4169.3000112R304 T305 E306 V312R304-L308 WeakPolarHBondContact O-CG 3.3Å; R304-L308 PolarHBondContact O-N 2.97Å; T305-L308 PolarHBondContact O-N 3.03Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 2.97Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.5Å; L308-V312 PolarHBondContact O-N 3.4Å
309L60.4Low66.1Low79 Ų79109.6 Ų109.641%0.41456%0.559SS.*Hα-helixtrans-69.4-38.4174.9-64.5178.7000112.8T305 E306 R307 E311 R313 L339T305-L309 WeakPolarHBondContact O-CG 3.35Å; T305-L309 PolarHBondContact O-N 3.31Å; E306-L309 WeakPolarHBondContact O-CB 3.22Å; E306-L309 PolarHBondContact O-N 3.47Å; E306-L309 VanDerWaalsContact O-N 3.16Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 2.74Å; L309-E311 VanDerWaalsContact C-N 3.31Å; L309-R313 WeakPolarHBondContact O-CB 3.04Å; L309-R313 PolarHBondContact O-N 2.78Å; L309-L339 HydrophobicContact CD1-CD1 4.38Å; L309-L339 HydrophobicContact CD1-CD2 4.29Å; L309-L339 HydrophobicContact CD2-CD1 3.25Å; L309-L339 HydrophobicContact CD2-CD2 4.01Å; L309-L339 HydrophobicContact CD2-CG 4.25Å; L309-L339 HydrophobicContact CG-CD1 4.42Å
310L74.1Confident64.1Low124 Ų124110 Ų11065%0.64958%0.58SS**Hα-helixtrans-66-40.5177.8-137.8116.3000110.4E306 R307 R313 T314E306-L310 PolarHBondContact O-N 3.36Å; R307-L310 PolarHBondContact O-N 2.94Å; L310-R313 PolarHBondContact O-N 2.92Å; L310-T314 WeakPolarHBondContact O-CG2 3.37Å; L310-T314 PolarHBondContact O-N 3.41Å; L310-T314 PolarHBondContact O-OG1 2.98Å; L310-T314 VanDerWaalsContact O-OG1 3.07Å
311E65.9Low62.1Low120 Ų120108.7 Ų108.756%0.56159%0.59SS**Hα-helixtrans-61.8-49.6176-165.2166.5-165.100111.8R307 L309 R313 T314 D315R307-E311 PolarHBondContact O-N 2.91Å; R307-E311 VanDerWaalsContact O-N 3.09Å; L309-E311 VanDerWaalsContact C-N 3.31Å; E311-R313 VanDerWaalsContact C-N 3.27Å; E311-R313 PolarHBondContact O-N 3.48Å; E311-T314 WeakPolarHBondContact CA-OG1 3.44Å; E311-T314 PolarHBondContact O-N 3.48Å; E311-T314 PolarHBondContact O-OG1 2.99Å; E311-D315 PolarHBondContact O-N 3.19Å; E311-D315 VanDerWaalsContact O-N 3.12Å
312V64.5Low60.6Low95 Ų95112.1 Ų112.158%0.57661%0.605SS**Hα-helixtrans-65.7-28.2176.2173.30000112.6L308L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.5Å; L308-V312 PolarHBondContact O-N 3.4Å
313R62.3Low59.1Low197 Ų197114 Ų11474%0.74364%0.636SS**Hα-helixtrans-79-34.2176.1-177.8179.7-97.3-138.1-2.9112.1L309 L310 E311 D315 A316L309-R313 WeakPolarHBondContact O-CB 3.04Å; L309-R313 PolarHBondContact O-N 2.78Å; L310-R313 PolarHBondContact O-N 2.92Å; E311-R313 VanDerWaalsContact C-N 3.27Å; E311-R313 PolarHBondContact O-N 3.48Å; R313-D315 VanDerWaalsContact C-N 3.26Å; R313-A316 PolarHBondContact O-N 2.88Å
314T56.6Low57.1Low98 Ų98113.5 Ų113.560%0.60166%0.655SS**Hα-helixtrans-70.1-25.1173.8470000112.6L310 E311 A316L310-T314 WeakPolarHBondContact O-CG2 3.37Å; L310-T314 PolarHBondContact O-N 3.41Å; L310-T314 PolarHBondContact O-OG1 2.98Å; L310-T314 VanDerWaalsContact O-OG1 3.07Å; E311-T314 WeakPolarHBondContact CA-OG1 3.44Å; E311-T314 PolarHBondContact O-N 3.48Å; E311-T314 PolarHBondContact O-OG1 2.99Å; T314-A316 PolarHBondContact O-N 2.97Å
315D53.6Low55.8Low136 Ų136114.7 Ų114.773%0.72766%0.664SS**THydrogen-bonded Turntrans-72.2-0.5171.3-69.6-25.9000113.4E311 R313E311-D315 PolarHBondContact O-N 3.19Å; E311-D315 VanDerWaalsContact O-N 3.12Å; R313-D315 VanDerWaalsContact C-N 3.26Å
316A56.1Low54.6Low33 Ų33117.7 Ų117.727%0.27369%0.685SS.*THydrogen-bonded Turntrans-121.717.8-166.900000117.3R313 T314R313-A316 PolarHBondContact O-N 2.88Å; T314-A316 PolarHBondContact O-N 2.97Å
317E48.4Very low53.9Low167 Ų167118.1 Ų118.178%0.7870%0.695SS**SBendtrans-141.9156171.7-93.8-58.1100.400112.7
318P56.5Low52.8Low113 Ų113116 Ų11673%0.73470%0.7SS**  -114.6139.1-108.936.2-24.5000113.4
319G40Very low52.3Low83 Ų83117.3 Ų117.386%0.85671%0.708SS**  trans-155.291.6174.300000113.4
320G38.4Very low52.4Low79 Ų79115.6 Ų115.681%0.81471%0.709SS**  trans101.497.6143.800000119.2
321A40.9Very low51.9Low96 Ų96114.3 Ų114.379%0.79371%0.708SS**  trans80.8111.7136.500000121.4
322K42.6Very low52.1Low210 Ų210114.6 Ų114.691%0.91370%0.704SS**  trans77.5101.4140.2-69.2-175.4176.5-179.70119
323G44.7Very low52.4Low86 Ų86112.8 Ų112.889%0.88770%0.699SS**  8298.4125.800000116.4
324G39.3Very low52.5Low77 Ų77108.2 Ų108.279%0.79469%0.686SS**  trans164.6119.7163.800000112.8
325K42.8Very low53.2Low192 Ų192105.8 Ų105.884%0.83568%0.676SS**  trans9.8141.7166.1-76178.5174.2179.30120.3V327K325-V327 PolarHBondContact O-N 3.5Å; K325-V327 VanDerWaalsContact O-N 3.13Å
326P45.9Very low54.1Low133 Ų133103.6 Ų103.686%0.86466%0.661SS**PPolyproline II helixtrans-65.5116.8172.730.3-31.5000109.5
327V57.5Low55Low119 Ų119109 Ų10972%0.72168%0.675SS**PPolyproline II helixtrans-78.3144.1169.81730000107.4K325 D329K325-V327 PolarHBondContact O-N 3.5Å; K325-V327 VanDerWaalsContact O-N 3.13Å; V327-D329 PolarHBondContact O-N 2.98Å
328P51.7Low56.1Low104 Ų104105.3 Ų105.368%0.67566%0.66SS**PPolyproline II helixtrans-72.5123.6-168.528.7-33.2000110.9G330 P331P328-G330 PolarHBondContact O-N 3.45Å; P328-P331 WeakPolarHBondContact O-CD 3.43Å
329D57Low56.8Low123 Ų123102.8 Ų102.866%0.65864%0.64SS**  trans-64.87.4175.3-71.8-51.3000114.8V327 A333V327-D329 PolarHBondContact O-N 2.98Å; D329-A333 VanDerWaalsContact O-CB 3.29Å; D329-A333 WeakPolarHBondContact O-CB 3.34Å; D329-A333 PolarHBondContact O-N 3.29Å
330G61.5Low58.4Low43 Ų43106 Ų10644%0.44363%0.631SS.*Hα-helixtrans-55.2-56.9-175.700000114.9P328 R332 E334P328-G330 PolarHBondContact O-N 3.45Å; G330-R332 VanDerWaalsContact C-N 3.34Å; G330-R332 PolarHBondContact O-N 2.95Å; G330-E334 VanDerWaalsContact O-CB 3.29Å; G330-E334 WeakPolarHBondContact O-CB 3.35Å; G330-E334 PolarHBondContact O-N 3.32Å
331P63.5Low60.1Low96 Ų96108 Ų10862%0.62362%0.619SS**Hα-helixtrans-71.9-27.3-174.625.4-31000113.1P328 A335P328-P331 WeakPolarHBondContact O-CD 3.43Å; P331-A335 WeakPolarHBondContact O-CB 3.46Å; P331-A335 PolarHBondContact O-N 3.25Å
332R69.8Low61.8Low127 Ų127106.3 Ų106.348%0.47960%0.604SS.*Hα-helixtrans-75.3-45.6177.1-173.2-179.7178.8-173.27111.5G330 E334 A335 E336G330-R332 VanDerWaalsContact C-N 3.34Å; G330-R332 PolarHBondContact O-N 2.95Å; R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 PolarHBondContact O-N 3.24Å; R332-A335 PolarHBondContact O-N 3.03Å; R332-E336 IonicContact NE-OE1 3.96Å; R332-E336 WeakPolarHBondContact O-CG 3.48Å; R332-E336 PolarHBondContact O-N 3.34Å
333A72.3Confident63.5Low56 Ų56100.7 Ų100.746%0.46359%0.588SS.*Hα-helixtrans-64.6-36.1175.800000111.8D329 R337D329-A333 VanDerWaalsContact O-CB 3.29Å; D329-A333 WeakPolarHBondContact O-CB 3.34Å; D329-A333 PolarHBondContact O-N 3.29Å; A333-R337 WeakPolarHBondContact O-CB 3.43Å; A333-R337 PolarHBondContact O-N 2.9Å
334E64.4Low64.9Low102 Ų10299.4 Ų99.448%0.47757%0.569SS.*Hα-helixtrans-67.5-43.1174.6-175167.9-157.100112.2G330 R332 E336 R337 L338G330-E334 VanDerWaalsContact O-CB 3.29Å; G330-E334 WeakPolarHBondContact O-CB 3.35Å; G330-E334 PolarHBondContact O-N 3.32Å; R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 PolarHBondContact O-N 3.24Å; E334-E336 PolarHBondContact O-N 3.17Å; E334-R337 PolarHBondContact O-N 3.44Å; E334-R337 IonicContact OE1-NH2 3.9Å; E334-L338 HydrophobicContact CG-CD1 4.26Å; E334-L338 WeakPolarHBondContact O-CG 3.46Å; E334-L338 PolarHBondContact O-N 3.24Å
335A70Confident66.6Low47 Ų4798 Ų9839%0.38855%0.549SS..Hα-helixtrans-60.1-46.117400000111.6P331 R332 R337 L338 L339P331-A335 WeakPolarHBondContact O-CB 3.46Å; P331-A335 PolarHBondContact O-N 3.25Å; R332-A335 PolarHBondContact O-N 3.03Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 2.93Å; A335-L338 PolarHBondContact O-N 2.9Å; A335-L339 VanDerWaalsContact O-CD1 3.28Å; A335-L339 WeakPolarHBondContact O-CD1 3.41Å; A335-L339 WeakPolarHBondContact O-CG 3.37Å; A335-L339 PolarHBondContact O-N 3.34Å
336E72.3Confident68.3Low90 Ų9093.2 Ų93.242%0.42153%0.526SS..Hα-helixtrans-61.7-36.9176-73.7-178.2-169.800112.8R332 E334 K340R332-E336 IonicContact NE-OE1 3.96Å; R332-E336 WeakPolarHBondContact O-CG 3.48Å; R332-E336 PolarHBondContact O-N 3.34Å; E334-E336 PolarHBondContact O-N 3.17Å; E336-K340 WeakPolarHBondContact O-CG 3.36Å; E336-K340 PolarHBondContact O-N 2.94Å; E336-K340 VanDerWaalsContact O-N 3.09Å
337R75.9Confident69.9Low145 Ų14590.5 Ų90.555%0.54751%0.507SS..Hα-helixtrans-65.7-49.6175.5-170.2-172.374.8-158.8-4.6111.5A333 E334 A335 L339 K340 E341A333-R337 WeakPolarHBondContact O-CB 3.43Å; A333-R337 PolarHBondContact O-N 2.9Å; E334-R337 PolarHBondContact O-N 3.44Å; E334-R337 IonicContact OE1-NH2 3.9Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 2.93Å; R337-L339 PolarHBondContact O-N 3.39Å; R337-K340 PolarHBondContact O-N 3.39Å; R337-E341 PolarHBondContact O-N 3.18Å
338L71.3Confident70.8Confident91 Ų9191.1 Ų91.148%0.47650%0.502SS..Hα-helixtrans-60-34.3179.2-72.2171.5000111.7E334 A335 A342E334-L338 HydrophobicContact CG-CD1 4.26Å; E334-L338 WeakPolarHBondContact O-CG 3.46Å; E334-L338 PolarHBondContact O-N 3.24Å; A335-L338 PolarHBondContact O-N 2.9Å; L338-A342 WeakPolarHBondContact O-CB 3.48Å; L338-A342 PolarHBondContact O-N 3.44Å
339L71.4Confident72Confident60 Ų6089.4 Ų89.431%0.31449%0.493SS..Hα-helixtrans-70.8-42.6176.2-71.2160.6000112.6L309 A335 R337 E341 A342 V343L309-L339 HydrophobicContact CD1-CD1 4.38Å; L309-L339 HydrophobicContact CD1-CD2 4.29Å; L309-L339 HydrophobicContact CD2-CD1 3.25Å; L309-L339 HydrophobicContact CD2-CD2 4.01Å; L309-L339 HydrophobicContact CD2-CG 4.25Å; L309-L339 HydrophobicContact CG-CD1 4.42Å; A335-L339 VanDerWaalsContact O-CD1 3.28Å; A335-L339 WeakPolarHBondContact O-CD1 3.41Å; A335-L339 WeakPolarHBondContact O-CG 3.37Å; A335-L339 PolarHBondContact O-N 3.34Å; R337-L339 PolarHBondContact O-N 3.39Å; L339-E341 VanDerWaalsContact C-N 3.26Å; L339-E341 PolarHBondContact O-N 2.89Å; L339-A342 PolarHBondContact O-N 3.17Å; L339-V343 WeakPolarHBondContact O-CG2 3.36Å; L339-V343 PolarHBondContact O-N 3.47Å
340K73.6Confident73.2Confident151 Ų15188.1 Ų88.166%0.65748%0.478SS*.Hα-helixtrans-60.2-41174-74.2172.5-178.1171.80111.2E336 R337 V343 A344E336-K340 WeakPolarHBondContact O-CG 3.36Å; E336-K340 PolarHBondContact O-N 2.94Å; E336-K340 VanDerWaalsContact O-N 3.09Å; R337-K340 PolarHBondContact O-N 3.39Å; K340-V343 PolarHBondContact O-N 3.43Å; K340-A344 WeakPolarHBondContact O-CB 3.33Å; K340-A344 PolarHBondContact O-N 3.03Å
341E73.9Confident74.2Confident121 Ų12191.6 Ų91.657%0.56548%0.483SS*.Hα-helixtrans-64.6-43.7175.1-170.9176.1171.500111.7R337 L339 V343 A344 A345R337-E341 PolarHBondContact O-N 3.18Å; L339-E341 VanDerWaalsContact C-N 3.26Å; L339-E341 PolarHBondContact O-N 2.89Å; E341-V343 PolarHBondContact O-N 2.82Å; E341-A344 PolarHBondContact O-N 3.42Å; E341-A345 WeakPolarHBondContact O-CB 3.37Å; E341-A345 PolarHBondContact O-N 2.94Å
342A77.1Confident75.2Confident59 Ų5990.1 Ų90.149%0.48847%0.472SS..Hα-helixtrans-62.4-41.2176.300000112.7L338 L339 A345 W346L338-A342 WeakPolarHBondContact O-CB 3.48Å; L338-A342 PolarHBondContact O-N 3.44Å; L339-A342 PolarHBondContact O-N 3.17Å; A342-A345 PolarHBondContact O-N 3.42Å; A342-W346 WeakPolarHBondContact O-CB 3.33Å; A342-W346 PolarHBondContact O-N 3.03Å
343V77.8Confident75.7Confident93 Ų9386 Ų8656%0.56446%0.46SS*.Hα-helixtrans-66.6-40.7176.2171.50000111.3L339 K340 E341 W346 T347L339-V343 WeakPolarHBondContact O-CG2 3.36Å; L339-V343 PolarHBondContact O-N 3.47Å; K340-V343 PolarHBondContact O-N 3.43Å; E341-V343 PolarHBondContact O-N 2.82Å; V343-W346 PolarHBondContact O-N 3.26Å; V343-T347 PolarHBondContact O-N 3.19Å; V343-T347 PolarHBondContact O-OG1 2.51Å
344A74.2Confident76.3Confident59 Ų5987.2 Ų87.249%0.48846%0.458SS..Hα-helixtrans-63.7-47.6175.500000111.5K340 E341 W346 T347 Q348K340-A344 WeakPolarHBondContact O-CB 3.33Å; K340-A344 PolarHBondContact O-N 3.03Å; E341-A344 PolarHBondContact O-N 3.42Å; A344-W346 VanDerWaalsContact C-N 3.29Å; A344-W346 PolarHBondContact O-N 3Å; A344-T347 PolarHBondContact O-N 3.13Å; A344-Q348 PolarHBondContact O-N 3.11Å
345A74.8Confident77.3Confident46 Ų4686.7 Ų86.738%0.3846%0.456SS..Hα-helixtrans-62.2-35.917700000112.4E341 A342 S349E341-A345 WeakPolarHBondContact O-CB 3.37Å; E341-A345 PolarHBondContact O-N 2.94Å; A342-A345 PolarHBondContact O-N 3.42Å; A345-S349 WeakPolarHBondContact O-CB 3.3Å; A345-S349 PolarHBondContact O-N 2.89Å; A345-S349 PolarHBondContact O-OG 3.16Å
346W79.1Confident77.9Confident93 Ų9388 Ų8835%0.35246%0.456SS..Hα-helixtrans-66.3-46.5174.1176.486.7000112L302 A342 V343 A344 Q348 S349 R350L302-W346 HydrophobicContact CD1-CD2 4.1Å; L302-W346 HydrophobicContact CD1-CG 4.42Å; L302-W346 HydrophobicContact CD1-CZ2 3.99Å; A342-W346 WeakPolarHBondContact O-CB 3.33Å; A342-W346 PolarHBondContact O-N 3.03Å; V343-W346 PolarHBondContact O-N 3.26Å; A344-W346 VanDerWaalsContact C-N 3.29Å; A344-W346 PolarHBondContact O-N 3Å; W346-Q348 VanDerWaalsContact C-N 3.28Å; W346-Q348 PolarHBondContact O-N 3.42Å; W346-S349 WeakPolarHBondContact O-CB 3.48Å; W346-S349 PolarHBondContact O-N 3.17Å; W346-S349 VanDerWaalsContact O-N 3.07Å; W346-R350 PolarHBondContact O-N 3.28Å
347T78.4Confident78.6Confident75 Ų7589.3 Ų89.346%0.4646%0.462SS..Hα-helixtrans-59.9-43179-540000110.5V343 A344 R350 Q351V343-T347 PolarHBondContact O-N 3.19Å; V343-T347 PolarHBondContact O-OG1 2.51Å; A344-T347 PolarHBondContact O-N 3.13Å; T347-R350 WeakPolarHBondContact O-CB 3.43Å; T347-R350 PolarHBondContact O-N 3.29Å; T347-Q351 PolarHBondContact O-N 2.8Å
348Q77.2Confident79.3Confident132 Ų13288.5 Ų88.562%0.61746%0.464SS*.Hα-helixtrans-61.6-44.3173.8-173.8-179.89.400111.9A344 W346 R350 Q351 V352A344-Q348 PolarHBondContact O-N 3.11Å; W346-Q348 VanDerWaalsContact C-N 3.28Å; W346-Q348 PolarHBondContact O-N 3.42Å; Q348-R350 VanDerWaalsContact C-N 3.32Å; Q348-R350 PolarHBondContact O-N 2.78Å; Q348-Q351 PolarHBondContact O-N 2.89Å; Q348-V352 WeakPolarHBondContact O-CG2 3.35Å; Q348-V352 PolarHBondContact O-N 2.94Å
349S75.9Confident79.9Confident69 Ų6988.6 Ų88.648%0.48346%0.464SS..Hα-helixtrans-64-36.9178.1-60.20000112.3A345 W346 V352 L353A345-S349 WeakPolarHBondContact O-CB 3.3Å; A345-S349 PolarHBondContact O-N 2.89Å; A345-S349 PolarHBondContact O-OG 3.16Å; W346-S349 WeakPolarHBondContact O-CB 3.48Å; W346-S349 PolarHBondContact O-N 3.17Å; W346-S349 VanDerWaalsContact O-N 3.07Å; S349-V352 PolarHBondContact O-N 3.23Å; S349-L353 WeakPolarHBondContact O-CG 3.42Å; S349-L353 PolarHBondContact O-N 3.28Å
350R81.8Confident80.3Confident96 Ų9690.4 Ų90.436%0.36247%0.47SS..Hα-helixtrans-63.2-45.8174.5-174.272.9-177.8-147.8-5.3111.1Q295 W346 T347 Q348 V352 L353 D354Q295-R350 VanDerWaalsContact CD-NH1 3.3Å; W346-R350 PolarHBondContact O-N 3.28Å; T347-R350 WeakPolarHBondContact O-CB 3.43Å; T347-R350 PolarHBondContact O-N 3.29Å; Q348-R350 VanDerWaalsContact C-N 3.32Å; Q348-R350 PolarHBondContact O-N 2.78Å; R350-V352 VanDerWaalsContact C-N 3.34Å; R350-V352 PolarHBondContact O-N 3.16Å; R350-L353 WeakPolarHBondContact O-CB 3.37Å; R350-L353 PolarHBondContact O-N 3.4Å; R350-L353 VanDerWaalsContact O-N 3.15Å; R350-D354 PolarHBondContact O-N 2.86Å
351Q84.1Confident80.9Confident115 Ų11584.8 Ų84.854%0.53745%0.452SS..Hα-helixtrans-59.1-45.6176.3-174.6-176.1-18.800111.5T347 Q348 L353 D354 E355T347-Q351 PolarHBondContact O-N 2.8Å; Q348-Q351 PolarHBondContact O-N 2.89Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 3.38Å; Q351-D354 PolarHBondContact O-N 2.96Å; Q351-D354 VanDerWaalsContact O-N 3.15Å; Q351-E355 PolarHBondContact NE2-OE1 3.23Å; Q351-E355 VanDerWaalsContact NE2-OE1 3.1Å; Q351-E355 WeakPolarHBondContact O-CG 3.29Å; Q351-E355 PolarHBondContact O-N 3.23Å
352V83.9Confident81.5Confident65 Ų6582.6 Ų82.639%0.39444%0.444SS..Hα-helixtrans-62.5-37.4176.9172.70000111.6Q348 S349 R350 E355 I356Q348-V352 WeakPolarHBondContact O-CG2 3.35Å; Q348-V352 PolarHBondContact O-N 2.94Å; S349-V352 PolarHBondContact O-N 3.23Å; R350-V352 VanDerWaalsContact C-N 3.34Å; R350-V352 PolarHBondContact O-N 3.16Å; V352-E355 PolarHBondContact O-N 3.31Å; V352-I356 HydrophobicContact CG1-CD1 3.86Å; V352-I356 HydrophobicContact CG1-CG1 4.44Å; V352-I356 WeakPolarHBondContact O-CB 3.29Å; V352-I356 VanDerWaalsContact O-CG1 3.23Å; V352-I356 WeakPolarHBondContact O-CG1 3.39Å; V352-I356 PolarHBondContact O-N 3.08Å
353L81.1Confident81.5Confident42 Ų4287.8 Ų87.822%0.2245%0.452CS..Hα-helixtrans-64-41174.6-76.3172.8000111.9L291 S349 R350 Q351 I356 Q357L291-L353 HydrophobicContact CD2-CD2 4.16Å; S349-L353 WeakPolarHBondContact O-CG 3.42Å; S349-L353 PolarHBondContact O-N 3.28Å; R350-L353 WeakPolarHBondContact O-CB 3.37Å; R350-L353 PolarHBondContact O-N 3.4Å; R350-L353 VanDerWaalsContact O-N 3.15Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 3.38Å; L353-I356 PolarHBondContact O-N 2.94Å; L353-Q357 WeakPolarHBondContact O-CG 3.37Å; L353-Q357 PolarHBondContact O-N 3.5Å
354D83.4Confident81.8Confident80 Ų8091.9 Ų91.943%0.42846%0.457SS..Hα-helixtrans-65.2-42.6176.6-68.3-20.6000110.9R350 Q351 I356 Q357 E358R350-D354 PolarHBondContact O-N 2.86Å; Q351-D354 PolarHBondContact O-N 2.96Å; Q351-D354 VanDerWaalsContact O-N 3.15Å; D354-I356 PolarHBondContact O-N 3.29Å; D354-Q357 WeakPolarHBondContact O-CB 3.4Å; D354-Q357 PolarHBondContact O-N 3.08Å; D354-Q357 VanDerWaalsContact O-N 3.12Å; D354-E358 PolarHBondContact O-N 3.3Å
355E85.8Confident82Confident91 Ų9196.4 Ų96.443%0.42547%0.468SS..Hα-helixtrans-60-42.9173.8-71.5173.2-161.700111.8Q351 V352 Q357 E358 L359Q351-E355 PolarHBondContact NE2-OE1 3.23Å; Q351-E355 VanDerWaalsContact NE2-OE1 3.1Å; Q351-E355 WeakPolarHBondContact O-CG 3.29Å; Q351-E355 PolarHBondContact O-N 3.23Å; V352-E355 PolarHBondContact O-N 3.31Å; E355-Q357 VanDerWaalsContact C-N 3.31Å; E355-Q357 PolarHBondContact O-N 3.04Å; E355-E358 PolarHBondContact O-N 3.1Å; E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.47Å; E355-L359 PolarHBondContact O-N 3.15Å
356I83.2Confident82Confident76 Ų76100.6 Ų100.639%0.3948%0.483SS..Hα-helixtrans-64.7-36.9175.8-70.4167.1000111.2V352 L353 D354 K360V352-I356 HydrophobicContact CG1-CD1 3.86Å; V352-I356 HydrophobicContact CG1-CG1 4.44Å; V352-I356 WeakPolarHBondContact O-CB 3.29Å; V352-I356 VanDerWaalsContact O-CG1 3.23Å; V352-I356 WeakPolarHBondContact O-CG1 3.39Å; V352-I356 PolarHBondContact O-N 3.08Å; L353-I356 PolarHBondContact O-N 2.94Å; D354-I356 PolarHBondContact O-N 3.29Å; I356-K360 WeakPolarHBondContact O-CB 3.46Å; I356-K360 PolarHBondContact O-N 2.97Å
357Q86.1Confident81.4Confident117 Ų117103.5 Ų103.555%0.54750%0.501SS..Hα-helixtrans-67.2-41.8175.8-74.5-174.722.100111.9L353 D354 E355 K360 A361L353-Q357 WeakPolarHBondContact O-CG 3.37Å; L353-Q357 PolarHBondContact O-N 3.5Å; D354-Q357 WeakPolarHBondContact O-CB 3.4Å; D354-Q357 PolarHBondContact O-N 3.08Å; D354-Q357 VanDerWaalsContact O-N 3.12Å; E355-Q357 VanDerWaalsContact C-N 3.31Å; E355-Q357 PolarHBondContact O-N 3.04Å; Q357-K360 WeakPolarHBondContact O-CB 3.37Å; Q357-K360 PolarHBondContact O-N 3.22Å; Q357-A361 PolarHBondContact O-N 2.86Å
358E91Very high80.6Confident127 Ų127106.5 Ų106.559%0.59352%0.521SS*.Hα-helixtrans-62.2-47.7174.7-174.1177.3-174.900111D354 E355 K360 A361 L362D354-E358 PolarHBondContact O-N 3.3Å; E355-E358 PolarHBondContact O-N 3.1Å; E358-K360 VanDerWaalsContact C-N 3.3Å; E358-K360 PolarHBondContact O-N 3.29Å; E358-A361 WeakPolarHBondContact O-CA 3.36Å; E358-A361 WeakPolarHBondContact O-CB 3.46Å; E358-A361 PolarHBondContact O-N 3.5Å; E358-L362 HydrophobicContact CG-CD1 4.4Å; E358-L362 WeakPolarHBondContact O-CG 3.36Å; E358-L362 PolarHBondContact O-N 2.92Å
359L83.9Confident79.1Confident93 Ų93103.5 Ų103.549%0.48753%0.526SS..Hα-helixtrans-57.6-44174.3-72.3173.1000111.2E355 A361 L362 Y363E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.47Å; E355-L359 PolarHBondContact O-N 3.15Å; L359-A361 VanDerWaalsContact C-N 3.28Å; L359-A361 PolarHBondContact O-N 3.46Å; L359-L362 PolarHBondContact O-N 2.79Å; L359-Y363 WeakPolarHBondContact O-CB 3.15Å; L359-Y363 VanDerWaalsContact O-CD2 3.27Å; L359-Y363 WeakPolarHBondContact O-CD2 3.33Å; L359-Y363 PolarHBondContact O-N 2.77Å
360K80.9Confident77.2Confident98 Ų98106.4 Ų106.443%0.42655%0.545SS..Hα-helixtrans-60.2-36.1173.8-107.3-178.8174177.10112.9I356 Q357 E358 R364I356-K360 WeakPolarHBondContact O-CB 3.46Å; I356-K360 PolarHBondContact O-N 2.97Å; Q357-K360 WeakPolarHBondContact O-CB 3.37Å; Q357-K360 PolarHBondContact O-N 3.22Å; E358-K360 VanDerWaalsContact C-N 3.3Å; E358-K360 PolarHBondContact O-N 3.29Å; K360-R364 PolarHBondContact O-N 2.86Å; K360-R364 VanDerWaalsContact O-N 3.12Å
361A85.3Confident75.8Confident34 Ų34107 Ų10728%0.28156%0.561SS.*Hα-helixtrans-68.5-44.517600000111.3Q357 E358 L359 R364 Q365Q357-A361 PolarHBondContact O-N 2.86Å; E358-A361 WeakPolarHBondContact O-CA 3.36Å; E358-A361 WeakPolarHBondContact O-CB 3.46Å; E358-A361 PolarHBondContact O-N 3.5Å; L359-A361 VanDerWaalsContact C-N 3.28Å; L359-A361 PolarHBondContact O-N 3.46Å; A361-R364 PolarHBondContact O-N 3.45Å; A361-Q365 WeakPolarHBondContact O-CG 3.44Å; A361-Q365 PolarHBondContact O-N 3.29Å; A361-Q365 VanDerWaalsContact O-N 3.11Å
362L87.1Confident73.6Confident75 Ų75109.6 Ų109.639%0.39358%0.579SS.*Hα-helixtrans-63.2-45.2176.3-66.7174000111.7E358 L359 R364 Q365 L366E358-L362 HydrophobicContact CG-CD1 4.4Å; E358-L362 WeakPolarHBondContact O-CG 3.36Å; E358-L362 PolarHBondContact O-N 2.92Å; L359-L362 PolarHBondContact O-N 2.79Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 3.32Å; L362-Q365 WeakPolarHBondContact O-CA 3.43Å; L362-Q365 WeakPolarHBondContact O-CB 3.26Å; L362-Q365 PolarHBondContact O-N 3.48Å; L362-L366 WeakPolarHBondContact O-CD1 3.34Å; L362-L366 PolarHBondContact O-N 3.36Å
363Y77.3Confident72Confident168 Ų168111.5 Ų111.566%0.65960%0.595SS**Hα-helixtrans-61-36.6175.4-90.2-77.2000112.5L359 Q365 L366 E367L359-Y363 WeakPolarHBondContact O-CB 3.15Å; L359-Y363 VanDerWaalsContact O-CD2 3.27Å; L359-Y363 WeakPolarHBondContact O-CD2 3.33Å; L359-Y363 PolarHBondContact O-N 2.77Å; Y363-Q365 VanDerWaalsContact C-N 3.31Å; Y363-Q365 PolarHBondContact O-N 2.99Å; Y363-L366 PolarHBondContact O-N 3.04Å; Y363-E367 PolarHBondContact O-N 3.01Å; Y363-E367 VanDerWaalsContact O-N 3.14Å
364R83.7Confident70.1Confident179 Ų179116 Ų11668%0.67563%0.625SS**Hα-helixtrans-66.4-28.7172-86.1-169.3-65.5-149.5-0.2113.7K360 A361 L362 L366K360-R364 PolarHBondContact O-N 2.86Å; K360-R364 VanDerWaalsContact O-N 3.12Å; A361-R364 PolarHBondContact O-N 3.45Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 3.32Å; R364-L366 VanDerWaalsContact C-N 3.34Å
365Q77.8Confident68.1Low154 Ų154121.4 Ų121.472%0.7264%0.644SS**Hα-helixtrans-76.2-25.3174.2-67.11731900112.3A361 L362 Y363A361-Q365 WeakPolarHBondContact O-CG 3.44Å; A361-Q365 PolarHBondContact O-N 3.29Å; A361-Q365 VanDerWaalsContact O-N 3.11Å; L362-Q365 WeakPolarHBondContact O-CA 3.43Å; L362-Q365 WeakPolarHBondContact O-CB 3.26Å; L362-Q365 PolarHBondContact O-N 3.48Å; Y363-Q365 VanDerWaalsContact C-N 3.31Å; Y363-Q365 PolarHBondContact O-N 2.99Å
366L74.1Confident66.1Low133 Ų133123 Ų12370%0.69666%0.663SS**Hα-helixtrans-90-13.2-179.7-80148.5000114L362 Y363 R364 P368L362-L366 WeakPolarHBondContact O-CD1 3.34Å; L362-L366 PolarHBondContact O-N 3.36Å; Y363-L366 PolarHBondContact O-N 3.04Å; R364-L366 VanDerWaalsContact C-N 3.34Å; L366-P368 VanDerWaalsContact O-CD 3.22Å; L366-P368 WeakPolarHBondContact O-CD 3.23Å
367E68.1Low63.9Low154 Ų154126.3 Ų126.372%0.7268%0.681SS**  trans-68.2113.5171.8-96.9-170.4153.300110.7Y363 G369Y363-E367 PolarHBondContact O-N 3.01Å; Y363-E367 VanDerWaalsContact O-N 3.14Å; E367-G369 PolarHBondContact O-N 3.16Å
368P60.2Low62.1Low138 Ų138132.1 Ų132.190%0.89670%0.698SS**  trans-85.199.5176.417.4-1.4000109.1L366L366-P368 VanDerWaalsContact O-CD 3.22Å; L366-P368 WeakPolarHBondContact O-CD 3.23Å
369G46.7Very low60Low70 Ų70134.8 Ų134.872%0.72271%0.708SS**  trans179.449179.600000119.3E367E367-G369 PolarHBondContact O-N 3.16Å
370C35.7Very low58Low130 Ų130135.7 Ų135.788%0.87872%0.722SS**  164.9151.6123.3-106.90000113
371P53.3Low56.1Low108 Ų108138.3 Ų138.370%0.70174%0.74SS**  trans-93.1130.1-158.135.2-29.4000111.8
372N37.3Very low53.9Low169 Ų169149.1 Ų149.190%0.90479%0.787SS**  trans-118103.2150.4-82.5-23.1000108.7T374N372-T374 PolarHBondContact O-N 3.3Å
373S49.7Very low52.3Low106 Ų106152.8 Ų152.874%0.74181%0.807SS**  trans-47.3126.3168.7166.80000111.5
374T41.3Very low51Low136 Ų136152 Ų15283%0.83482%0.815SS**  trans-155.386.4137.78.20000108.1N372N372-T374 PolarHBondContact O-N 3.3Å
375K41.5Very low49.1Very low194 Ų194150.5 Ų150.584%0.84382%0.823SS**  trans-62.6133.2160.8-66.4-178.9179.2178.50107.6N377K375-N377 PolarHBondContact O-N 3.24Å
376P44.3Very low47.5Very low125 Ų125150.3 Ų150.381%0.81283%0.829SS**  trans-71.2118.416828.6-29000107.9R378P376-R378 PolarHBondContact O-N 2.92Å; P376-R378 VanDerWaalsContact O-N 3.09Å
377N37.5Very low45.8Very low145 Ų145151.4 Ų151.478%0.77584%0.837SS**  trans-67.2103.4176.7-169.44.9000109K375 K379K375-N377 PolarHBondContact O-N 3.24Å; N377-K379 PolarHBondContact O-N 3.42Å
378R48.3Very low44.3Very low238 Ų238151.2 Ų151.290%0.89885%0.845SS**  trans-88.184.9170.3-164.4179.3-178.1179.80.8107.9P376P376-R378 PolarHBondContact O-N 2.92Å; P376-R378 VanDerWaalsContact O-N 3.09Å
379K47Very low43.2Very low183 Ų183152.1 Ų152.180%0.79684%0.841SS**  trans-178.9102.8162.9-99.7162.5-168.7-167.60109N377N377-K379 PolarHBondContact O-N 3.42Å
380S41.3Very low42.9Very low112 Ų112158.5 Ų158.578%0.78385%0.85SS**  trans167.1151133.5-158.90000110.4
381L40.9Very low43.5Very low154 Ų154160.8 Ų160.881%0.80685%0.848SS**  trans82.1105.4-177.4-82.982.7000114.3
382M39.5Very low42.6Very low260 Ų260165.6 Ų165.6100%1.28186%0.861SS**  cis50.6046.3-95.9-164.117400113.1

Retrieved 382 of 382 residues in 525.2 ms (Link to these results)