A0A096N3R2_PAPAN Loading...

V-set and immunoglobulin domain containing 8

AlphaFold DB , UniProt , Accession A0A096N3R2, Species PAPAN (Papio anubis, Olive baboon), Gene VSIG8, Length 414 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
1M41.6Very low49.6Very low248 Ų248137.6 Ų137.6100%1.22282%0.823SS**  091.20-62.7174-177.100105.1
2G45.1Very low50Low74 Ų74135.2 Ų135.276%0.76381%0.809SS**  75.3122.480.400000107.8
3V44.1Very low50.1Low140 Ų140133.2 Ų133.285%0.84880%0.804SS**  cis-159.3120.322.3170.50000105.9G5V3-G5 PolarHBondContact O-N 2.95Å
4G44.3Very low50.2Low82 Ų82134.4 Ų134.485%0.84580%0.802SS**  trans-90.392.5169.100000108.9A6G4-A6 PolarHBondContact O-N 3.24Å; G4-A6 VanDerWaalsContact O-N 3.13Å
5G45.3Very low50.4Low62 Ų62132 Ų13264%0.63979%0.794SS**  trans-70.2102.5178.900000111.1V3 F7V3-G5 PolarHBondContact O-N 2.95Å; G5-F7 PolarHBondContact O-N 3.44Å
6A52.9Low50.8Low83 Ų83131 Ų13169%0.68679%0.792SS**  trans-72.5101.9166.300000108.8G4 H8G4-A6 PolarHBondContact O-N 3.24Å; G4-A6 VanDerWaalsContact O-N 3.13Å; A6-H8 PolarHBondContact O-N 3.48Å
7F52.6Low51.2Low203 Ų203128.1 Ų128.189%0.8979%0.785SS**  trans-7292.2168.2-101.8-91.6000108.8G5 L9G5-F7 PolarHBondContact O-N 3.44Å; F7-L9 PolarHBondContact O-N 3.08Å
8H52.6Low51.6Low168 Ų168130.4 Ų130.478%0.77879%0.791SS**  trans-71.1102.1163.1-88.6-70.7000108.7A6 L10A6-H8 PolarHBondContact O-N 3.48Å; H8-L10 VanDerWaalsContact C-N 3.35Å; H8-L10 PolarHBondContact O-N 3.3Å
9L56Low52.1Low155 Ų155129.8 Ų129.881%0.81278%0.782SS**  trans-64.894.8163.7-98.6140.8000108.3F7 L11F7-L9 PolarHBondContact O-N 3.08Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.07Å
10L54.8Low52.9Low152 Ų152126.7 Ų126.780%0.79677%0.766SS**  trans-66.395.7163.1-104.4145.1000107.3H8 V12H8-L10 VanDerWaalsContact C-N 3.35Å; H8-L10 PolarHBondContact O-N 3.3Å; L10-V12 VanDerWaalsContact C-N 3.26Å; L10-V12 PolarHBondContact O-N 3.07Å
11L55.8Low54Low147 Ų147121.1 Ų121.177%0.7773%0.734SS**  trans-66.492.6165-130.8103.1000106.5L9 C13L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.07Å; L11-C13 VanDerWaalsContact C-N 3.32Å; L11-C13 PolarHBondContact O-N 3.32Å
12V54.6Low56.2Low108 Ų108109.4 Ų109.466%0.65568%0.676SS**  trans-67.599.3168.9-179.50000105.7L10 L14L10-V12 VanDerWaalsContact C-N 3.26Å; L10-V12 PolarHBondContact O-N 3.07Å; V12-L14 HydrophobicContact CG1-CG 4.19Å; V12-L14 PolarHBondContact O-N 2.72Å
13C52.1Low58.2Low110 Ų110111.2 Ų111.274%0.74366%0.66SS**  trans-61.984164-69.70000107.7L11 S15L11-C13 VanDerWaalsContact C-N 3.32Å; L11-C13 PolarHBondContact O-N 3.32Å; C13-S15 PolarHBondContact O-N 3.09Å
14L51.3Low60.4Low150 Ų150105.8 Ų105.879%0.78563%0.626SS**  trans-64.687.6156.4-77.2159.1000104.7V12 P16V12-L14 HydrophobicContact CG1-CG 4.19Å; V12-L14 PolarHBondContact O-N 2.72Å; L14-P16 VanDerWaalsContact O-CD 3.24Å; L14-P16 WeakPolarHBondContact O-CD 3.46Å
15S53.6Low62Low98 Ų98106.6 Ų106.669%0.68561%0.611SS**  trans-52.1116.1161.846.40000105.3C13 A17C13-S15 PolarHBondContact O-N 3.09Å; S15-A17 PolarHBondContact O-N 3.26Å
16P55.8Low63Low116 Ų116105.4 Ų105.475%0.75360%0.598SS**  trans-58.2111.9173.723.1-29000104.8L14 L18L14-P16 VanDerWaalsContact O-CD 3.24Å; L14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 2.71Å
17A57.9Low63.2Low82 Ų82109.1 Ų109.168%0.67861%0.607SS**  trans-56.4109.9167.500000104.3S15 L19S15-A17 PolarHBondContact O-N 3.26Å; A17-L19 PolarHBondContact O-N 2.7Å
18L59.2Low63.9Low169 Ų169102.4 Ų102.489%0.88560%0.595SS**  trans-58.992.3172.5-88.4141.5000106P16 S20P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 2.71Å; L18-S20 PolarHBondContact O-N 3.48Å
19L60.3Low65Low120 Ų12099.9 Ų99.963%0.62858%0.584SS**  trans-63.4124.1173.1-77.4155.3000106.1A17 A21A17-L19 PolarHBondContact O-N 2.7Å; L19-A21 PolarHBondContact O-N 3.39Å; L19-A21 VanDerWaalsContact O-N 3.14Å
20S67.7Low66.5Low66 Ų6695.9 Ų95.946%0.46256%0.561SS.*  trans-66.2113.5176.1-52.70000108.5L18 V22 R23L18-S20 PolarHBondContact O-N 3.48Å; S20-V22 PolarHBondContact O-N 2.77Å; S20-R23 PolarHBondContact O-NE 3.01Å
21A77.3Confident68.3Low10 Ų1091.9 Ų91.98%0.08354%0.542CS..SBendtrans-65.7-21.3-176.200000113.6L19 L48 D49 D52 T132L19-A21 PolarHBondContact O-N 3.39Å; L19-A21 VanDerWaalsContact O-N 3.14Å; A21-L48 CarbonylContact O-C 3.58Å; A21-L48 WeakPolarHBondContact O-CA 3.45Å; A21-D49 WeakPolarHBondContact CA-OD2 3.4Å; A21-D49 PolarHBondContact O-N 3.04Å; A21-D52 WeakPolarHBondContact CB-OD2 3.39Å; A21-T132 HydrophobicContact CB-CG2 3.82Å; A21-T132 WeakPolarHBondContact CB-OG1 3.14Å; A21-T132 PolarHBondContact N-OG1 3.11Å
22V87.4Confident70Confident3 Ų386.6 Ų86.62%0.01852%0.515CS..EExtended strand (participates in β ladder)trans-121.9135.4171.5-173.90000108.5S20 L48 V128 K130 T132 A134S20-V22 PolarHBondContact O-N 2.77Å; V22-L48 HydrophobicContact CB-CD2 4.35Å; V22-L48 HydrophobicContact CG1-CD2 4.17Å; V22-L48 HydrophobicContact CG2-CD2 3.7Å; V22-V128 HydrophobicContact CG1-CB 4.03Å; V22-V128 HydrophobicContact CG1-CG1 3.79Å; V22-K130 HydrophobicContact CG2-CB 3.48Å; V22-K130 VanDerWaalsContact CG2-CB 3.48Å; V22-T132 WeakPolarHBondContact CG2-O 3.44Å; V22-T132 PolarHBondContact N-OG1 3.33Å; V22-A134 HydrophobicContact CB-CB 4.15Å; V22-A134 HydrophobicContact CG1-CB 3.8Å
23R87.3Confident71.9Confident112 Ų11286.9 Ų86.942%0.42351%0.505SS..EExtended strand (participates in β ladder)trans-133135.9173.5-56.6-175.8-166.9-179.66.5109.7S20 Y46 V47S20-R23 PolarHBondContact O-NE 3.01Å; R23-Y46 CarbonylContact O-C 3.46Å; R23-Y46 VanDerWaalsContact O-CA 3.26Å; R23-Y46 WeakPolarHBondContact O-CA 3.27Å; R23-V47 PolarHBondContact N-O 2.82Å; R23-V47 PolarHBondContact O-N 3.29Å
24I89Confident74Confident26 Ų2683 Ų8313%0.13348%0.476CS..EExtended strand (participates in β ladder)trans-102127.5172.8-63.8167.7000107.5G26 V128 A134 R136I24-G26 PolarHBondContact O-N 3.11Å; I24-V128 HydrophobicContact CD1-CB 4.46Å; I24-V128 HydrophobicContact CD1-CG2 4.07Å; I24-V128 HydrophobicContact CG1-CG2 4.35Å; I24-A134 VanDerWaalsContact CD1-C 3.5Å; I24-A134 HydrophobicContact CD1-CB 3.8Å; I24-A134 WeakPolarHBondContact CD1-O 3.37Å; I24-A134 HydrophobicContact CG1-CB 3.77Å; I24-R136 HydrophobicContact CD1-CB 4.24Å; I24-R136 HydrophobicContact CG2-CB 3.8Å; I24-R136 HydrophobicContact CG2-CG 4.43Å
25N78.2Confident76Confident99 Ų9975.9 Ų75.953%0.52944%0.44SS..  trans-79.3105.7175-70.4-22.1000108.1P45 R136N25-P45 HydrophobicContact CB-CG 4.28Å; N25-P45 PolarHBondContact N-O 3.14Å; N25-R136 PolarHBondContact O-NH1 2.85Å
26G67.3Low77.9Confident36 Ų3675.7 Ų75.737%0.37143%0.428SS..  trans180129.7177.900000111.4I24 G28I24-G26 PolarHBondContact O-N 3.11Å; G26-G28 PolarHBondContact O-N 3.48Å
27D56.9Low79.7Confident161 Ų16172 Ų7286%0.86141%0.411SS*.  trans-79.5117.7179.2-65-35.1000110.2
28G66.6Low81.4Confident63 Ų6371.2 Ų71.265%0.64940%0.395SS*.SBendtrans52.2-155.6164.800000116.2G26G26-G28 PolarHBondContact O-N 3.48Å
29Q75.5Confident83.2Confident115 Ų11568.7 Ų68.754%0.53738%0.383SS..  trans-91.8106177-169.3169.416.900109.1K137 I139Q29-K137 HydrophobicContact CG-CB 4.29Å; Q29-I139 HydrophobicContact CG-CD1 3.79Å; Q29-I139 HydrophobicContact CG-CG1 3.95Å; Q29-I139 VanDerWaalsContact NE2-CD1 3.29Å
30E88.2Confident84.8Confident70 Ų7063.9 Ų63.933%0.32736%0.358SS..EExtended strand (participates in β ladder)trans-79.6138.4180-177.5177.7-171.300110.8L32 R136 K137 V138 I139E30-L32 HydrophobicContact CG-CD2 4.13Å; E30-L32 HydrophobicContact CG-CG 4.3Å; E30-R136 IonicContact OE2-CZ 2.74Å; E30-R136 IonicContact OE2-NH2 3.04Å; E30-R136 PolarHBondContact OE2-NH2 2.89Å; E30-K137 PolarHBondContact N-O 3.41Å; E30-V138 HydrophobicContact CB-CG1 4.3Å; E30-V138 HydrophobicContact CG-CG1 4.44Å; E30-V138 CarbonylContact O-C 3.51Å; E30-V138 WeakPolarHBondContact O-CA 3.37Å; E30-I139 PolarHBondContact O-N 3.15Å
31V91.9Very high86.1Confident68 Ų6867.6 Ų67.641%0.41236%0.362SS..EExtended strand (participates in β ladder)trans-116.8121.5177.5-172.60000109.5Y33 I139V31-Y33 HydrophobicContact CG1-CE2 4.04Å; V31-I139 CarbonylContact C-O 3.52Å; V31-I139 WeakPolarHBondContact CA-O 3.47Å; V31-I139 HydrophobicContact CG1-CB 4.34Å; V31-I139 HydrophobicContact CG1-CG2 4.3Å; V31-I139 HydrophobicContact CG2-CB 4.22Å; V31-I139 HydrophobicContact CG2-CD1 4.01Å
32L93Very high87Confident36 Ų3667.1 Ų67.119%0.18836%0.359CS..EExtended strand (participates in β ladder)trans-113.6126.6-179.3-61.5178.4000110.7E30 L34 V40 L42 V138 I139 T141E30-L32 HydrophobicContact CG-CD2 4.13Å; E30-L32 HydrophobicContact CG-CG 4.3Å; L32-L34 HydrophobicContact CB-CD1 4.29Å; L32-L34 HydrophobicContact CB-CG 4.23Å; L32-V40 HydrophobicContact CD1-CG2 4.28Å; L32-L42 HydrophobicContact CD1-CD2 3.75Å; L32-V138 HydrophobicContact CD1-CG1 3.75Å; L32-V138 HydrophobicContact CG-CG1 4.05Å; L32-I139 PolarHBondContact N-O 2.87Å; L32-T141 PolarHBondContact O-N 3.08Å
33Y94Very high87.3Confident115 Ų11568 Ų6845%0.45137%0.368SS..EExtended strand (participates in β ladder)trans-102.1116.3169.7-65.7-79.5000109.1V31 T141 Q143 N244V31-Y33 HydrophobicContact CG1-CE2 4.04Å; Y33-T141 WeakPolarHBondContact CA-O 3.4Å; Y33-T141 HydrophobicContact CD1-CG2 3.99Å; Y33-T141 HydrophobicContact CE1-CG2 4.02Å; Y33-Q143 VanDerWaalsContact CD1-NE2 3.31Å; Y33-N244 HydrophobicContact CD1-CB 3.79Å; Y33-N244 HydrophobicContact CD2-CB 4.39Å; Y33-N244 HydrophobicContact CE1-CB 4.43Å; Y33-N244 HydrophobicContact CG-CB 3.77Å
34L94.8Very high87.6Confident27 Ų2762.7 Ų62.714%0.14135%0.348CS..EExtended strand (participates in β ladder)trans-128.2144.3-171.6-57.7169.1000110.2L32 V40 L116 V140 T141 V142 Q143L32-L34 HydrophobicContact CB-CD1 4.29Å; L32-L34 HydrophobicContact CB-CG 4.23Å; L34-V40 HydrophobicContact CD1-CB 3.73Å; L34-V40 HydrophobicContact CD1-CG1 3.73Å; L34-V40 HydrophobicContact CD1-CG2 3.73Å; L34-V40 HydrophobicContact CD2-CB 4.42Å; L34-V40 HydrophobicContact CD2-CG2 4.1Å; L34-L116 HydrophobicContact CB-CD1 3.68Å; L34-L116 HydrophobicContact CD1-CD1 3.52Å; L34-L116 HydrophobicContact CG-CD1 4.18Å; L34-V140 HydrophobicContact CD1-CG1 3.82Å; L34-T141 PolarHBondContact N-O 2.93Å; L34-V142 CarbonylContact O-C 3.54Å; L34-V142 WeakPolarHBondContact O-CA 3.33Å; L34-Q143 PolarHBondContact O-N 2.85Å
35A93.8Very high87.8Confident2 Ų263.7 Ų63.72%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-79148.6177.500000110.8G37 D38 Q143 R145 V245A35-G37 PolarHBondContact O-N 2.59Å; A35-D38 VanDerWaalsContact CB-OD2 3.27Å; A35-D38 WeakPolarHBondContact CB-OD2 3.43Å; A35-D38 PolarHBondContact N-OD2 2.96Å; A35-D38 VanDerWaalsContact N-OD2 3.13Å; A35-D38 VanDerWaalsContact O-CB 3.29Å; A35-D38 WeakPolarHBondContact O-CB 3.5Å; A35-D38 PolarHBondContact O-N 2.73Å; A35-D38 VanDerWaalsContact O-N 3.13Å; A35-Q143 CarbonylContact C-O 3.59Å; A35-Q143 WeakPolarHBondContact CA-O 3.49Å; A35-R145 HydrophobicContact CB-CG 4.39Å; A35-V245 HydrophobicContact CB-CB 4.15Å; A35-V245 HydrophobicContact CB-CG2 4.35Å
36E94.4Very high88.5Confident94 Ų9459.1 Ų59.144%0.43933%0.332SS..THydrogen-bonded Turntrans-54.5134167-175.7178.6-159.700110.8D38 V118 V142 Q143E36-D38 VanDerWaalsContact C-N 3.33Å; E36-V118 HydrophobicContact CB-CG2 4.49Å; E36-V142 HydrophobicContact CB-CG1 4.44Å; E36-Q143 PolarHBondContact N-O 3.43Å
37G93.6Very high89.6Confident39 Ų3960.7 Ų60.740%0.40233%0.334SS..THydrogen-bonded Turntrans86.9-11.8-175.800000115.2A35 L116A35-G37 PolarHBondContact O-N 2.59Å; G37-L116 PolarHBondContact N-O 2.83Å
38D93.8Very high91.2Very high65 Ų6553.4 Ų53.435%0.34830%0.295SS..  trans-69164.6178.1-73.4-13.6000112.1A35 E36 N115 L116A35-D38 VanDerWaalsContact CB-OD2 3.27Å; A35-D38 WeakPolarHBondContact CB-OD2 3.43Å; A35-D38 PolarHBondContact N-OD2 2.96Å; A35-D38 VanDerWaalsContact N-OD2 3.13Å; A35-D38 VanDerWaalsContact O-CB 3.29Å; A35-D38 WeakPolarHBondContact O-CB 3.5Å; A35-D38 PolarHBondContact O-N 2.73Å; A35-D38 VanDerWaalsContact O-N 3.13Å; E36-D38 VanDerWaalsContact C-N 3.33Å; D38-N115 PolarHBondContact O-N 2.52Å; D38-L116 HydrophobicContact CB-CD1 4.18Å; D38-L116 VanDerWaalsContact O-CG 3.27Å; D38-L116 WeakPolarHBondContact O-CG 3.32Å; D38-L116 PolarHBondContact O-N 2.96Å
39N95.3Very high92.1Very high115 Ų11552.5 Ų52.562%0.61528%0.275SS*.  trans-114.2137.4170.9-59-34.4000109.1L113 M114 N115N39-L113 WeakPolarHBondContact CA-O 3.42Å; N39-M114 WeakPolarHBondContact OD1-CA 3.32Å; N39-M114 WeakPolarHBondContact OD1-CB 3.07Å; N39-N115 PolarHBondContact OD1-N 3.03Å
40V95.2Very high92.6Very high20 Ų2051.2 Ų51.212%0.12128%0.277CS..EExtended strand (participates in β ladder)trans-132.4144.6-178.969.10000112L32 L34 L42 N112 L113 L116L32-V40 HydrophobicContact CD1-CG2 4.28Å; L34-V40 HydrophobicContact CD1-CB 3.73Å; L34-V40 HydrophobicContact CD1-CG1 3.73Å; L34-V40 HydrophobicContact CD1-CG2 3.73Å; L34-V40 HydrophobicContact CD2-CB 4.42Å; L34-V40 HydrophobicContact CD2-CG2 4.1Å; V40-L42 HydrophobicContact CG1-CD2 4.1Å; V40-L42 HydrophobicContact CG1-CG 4.49Å; V40-L42 HydrophobicContact CG2-CD2 4.07Å; V40-N112 WeakPolarHBondContact O-CA 3.43Å; V40-L113 HydrophobicContact CG1-CB 4.1Å; V40-L113 PolarHBondContact N-O 3.15Å; V40-L113 PolarHBondContact O-N 3.4Å; V40-L116 HydrophobicContact CB-CD1 4.2Å; V40-L116 HydrophobicContact CG1-CD1 3.91Å; V40-L116 HydrophobicContact CG1-CD2 4.15Å; V40-L116 HydrophobicContact CG1-CG 4.44Å
41R95.3Very high92.3Very high143 Ų14356.9 Ų56.954%0.5430%0.303SS..EExtended strand (participates in β ladder)trans-101.3115.9167.9-177.4177.9178.3-177.92.9109.2A100 D108 I111 N112R41-A100 HydrophobicContact CG-CB 4.41Å; R41-D108 IonicContact CZ-OD2 3.98Å; R41-D108 IonicContact NH2-OD2 2.73Å; R41-D108 PolarHBondContact NH2-OD2 2.79Å; R41-I111 CarbonylContact C-O 3.58Å; R41-I111 VanDerWaalsContact CA-O 3.31Å; R41-I111 WeakPolarHBondContact CA-O 3.38Å; R41-N112 WeakPolarHBondContact CB-OD1 3.48Å; R41-N112 WeakPolarHBondContact CG-OD1 3.27Å
42L94.7Very high91.8Very high1 Ų154.5 Ų54.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-88.4111.3171.9-53.7-175.1000108.5L32 V40 W62 S110 I111 Y124 V138 V140L32-L42 HydrophobicContact CD1-CD2 3.75Å; V40-L42 HydrophobicContact CG1-CD2 4.1Å; V40-L42 HydrophobicContact CG1-CG 4.49Å; V40-L42 HydrophobicContact CG2-CD2 4.07Å; L42-W62 HydrophobicContact CB-CH2 3.52Å; L42-W62 HydrophobicContact CB-CZ2 4.16Å; L42-W62 HydrophobicContact CB-CZ3 4.1Å; L42-W62 HydrophobicContact CD1-CH2 4.21Å; L42-W62 HydrophobicContact CD1-CZ3 3.91Å; L42-S110 VanDerWaalsContact O-CA 3.27Å; L42-S110 WeakPolarHBondContact O-CA 3.5Å; L42-S110 WeakPolarHBondContact O-CB 3.3Å; L42-I111 HydrophobicContact CB-CG1 3.93Å; L42-I111 HydrophobicContact CD1-CD1 4.16Å; L42-I111 HydrophobicContact CD1-CG1 4.37Å; L42-I111 HydrophobicContact CG-CG1 4.37Å; L42-I111 PolarHBondContact N-O 2.88Å; L42-I111 PolarHBondContact O-N 3.07Å; L42-I111 VanDerWaalsContact O-N 3.07Å; L42-Y124 HydrophobicContact CD1-CD1 4.38Å; L42-Y124 HydrophobicContact CD1-CD2 4.42Å; L42-Y124 HydrophobicContact CD1-CG 4.03Å; L42-V138 HydrophobicContact CD2-CG1 4.23Å; L42-V140 HydrophobicContact CD1-CG2 4.2Å; L42-V140 HydrophobicContact CD2-CG2 3.92Å
43G93.7Very high91.3Very high21 Ų2159.4 Ų59.422%0.21631%0.305CS..  trans-73.1128.7-175.500000112.5S110 R136G43-S110 WeakPolarHBondContact CA-OG 3.28Å; G43-R136 PolarHBondContact O-NE 2.83Å; G43-R136 PolarHBondContact O-NH1 2.96Å; G43-R136 VanDerWaalsContact O-NH1 3.09Å
44C94.6Very high90.4Very high0 Ų055.6 Ų55.60%030%0.301CS..  trans-144.762.3169.4-167.80000112W62 A109 S110 C126C44-W62 HydrophobicContact CB-CH2 4.5Å; C44-W62 HydrophobicContact CB-CZ2 3.72Å; C44-A109 HydrophobicContact CB-CB 4.16Å; C44-A109 WeakPolarHBondContact O-CA 3.26Å; C44-A109 WeakPolarHBondContact O-CB 3.41Å; C44-A109 PolarHBondContact O-N 3.27Å; C44-S110 PolarHBondContact N-OG 3.13Å; C44-C126 HydrophobicContact CB-CB 3.73Å; C44-C126 WeakPolarHBondContact CB-SG 3.41Å; C44-C126 WeakPolarHBondContact SG-CB 3.49Å; C44-C126 CovalentContact SG-SG 2.03Å; C44-C126 PolarHBondContact SG-SG 2.77Å
45P93.9Very high89.2Confident48 Ų4857.7 Ų57.731%0.31232%0.316SS..BIsolated β-bridgetrans-70.9133.7170.630.2-32.9000110.2N25N25-P45 HydrophobicContact CB-CG 4.28Å; N25-P45 PolarHBondContact N-O 3.14Å
46Y92.3Very high88.5Confident3 Ų364.1 Ų64.11%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-126154.1-18069-86000111.6R23 L48 L58 I60 P104 S105 Y107 A109 V128R23-Y46 CarbonylContact O-C 3.46Å; R23-Y46 VanDerWaalsContact O-CA 3.26Å; R23-Y46 WeakPolarHBondContact O-CA 3.27Å; Y46-L48 HydrophobicContact CD2-CD2 3.88Å; Y46-L48 HydrophobicContact CD2-CG 4.06Å; Y46-L48 HydrophobicContact CE2-CD1 4.17Å; Y46-L48 HydrophobicContact CE2-CD2 3.95Å; Y46-L48 HydrophobicContact CE2-CG 3.9Å; Y46-L58 HydrophobicContact CE2-CD1 4.13Å; Y46-L58 VanDerWaalsContact OH-CD2 3.26Å; Y46-L58 WeakPolarHBondContact OH-CD2 3.17Å; Y46-I60 HydrophobicContact CE1-CD1 4.02Å; Y46-P104 WeakPolarHBondContact CE1-O 3.34Å; Y46-P104 PolarHBondContact OH-O 3.29Å; Y46-S105 WeakPolarHBondContact OH-CA 3.45Å; Y46-S105 PolarHBondContact OH-O 3.09Å; Y46-Y107 VanDerWaalsContact CE1-C 3.46Å; Y46-Y107 HydrophobicContact CE2-CD1 4.06Å; Y46-Y107 VanDerWaalsContact CZ-CA 3.49Å; Y46-Y107 PolarHBondContact N-O 2.89Å; Y46-Y107 WeakPolarHBondContact O-CB 3.49Å; Y46-Y107 PolarHBondContact OH-N 2.85Å; Y46-A109 HydrophobicContact CD1-CB 3.89Å; Y46-A109 HydrophobicContact CE1-CB 4.03Å; Y46-V128 HydrophobicContact CD1-CG1 4.31Å; Y46-V128 HydrophobicContact CD1-CG2 4.16Å; Y46-V128 HydrophobicContact CD2-CG1 3.95Å; Y46-V128 HydrophobicContact CE2-CG1 4.28Å; Y46-V128 HydrophobicContact CG-CG1 3.98Å; Y46-V128 HydrophobicContact CG-CG2 4.25Å
47V90.8Very high88Confident69 Ų6962.3 Ų62.342%0.41836%0.357SS..EExtended strand (participates in β ladder)trans-122.1136.9176.5-174.80000107.8R23R23-V47 PolarHBondContact N-O 2.82Å; R23-V47 PolarHBondContact O-N 3.29Å
48L89.6Confident87.9Confident8 Ų861 Ų614%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-102.4145.6173.3-58.4-179.9000109.3A21 V22 Y46 D52 Y53 Y107 K130A21-L48 CarbonylContact O-C 3.58Å; A21-L48 WeakPolarHBondContact O-CA 3.45Å; V22-L48 HydrophobicContact CB-CD2 4.35Å; V22-L48 HydrophobicContact CG1-CD2 4.17Å; V22-L48 HydrophobicContact CG2-CD2 3.7Å; Y46-L48 HydrophobicContact CD2-CD2 3.88Å; Y46-L48 HydrophobicContact CD2-CG 4.06Å; Y46-L48 HydrophobicContact CE2-CD1 4.17Å; Y46-L48 HydrophobicContact CE2-CD2 3.95Å; Y46-L48 HydrophobicContact CE2-CG 3.9Å; L48-D52 HydrophobicContact CB-CB 4.42Å; L48-Y53 HydrophobicContact CB-CD1 4.17Å; L48-Y53 HydrophobicContact CB-CE1 4.25Å; L48-Y53 WeakPolarHBondContact O-CE1 3.43Å; L48-Y107 HydrophobicContact CB-CE1 4.44Å; L48-Y107 HydrophobicContact CD1-CE1 4.05Å; L48-Y107 HydrophobicContact CG-CD1 4.43Å; L48-Y107 HydrophobicContact CG-CE1 4.17Å; L48-K130 HydrophobicContact CD2-CB 4.43Å; L48-K130 HydrophobicContact CD2-CG 4.46Å
49D86.4Confident87.9Confident43 Ų4359 Ų5923%0.2333%0.33CS..  trans-68.4152.3167.2-82.2-20.8000110A21 E51 D52 Y53A21-D49 WeakPolarHBondContact CA-OD2 3.4Å; A21-D49 PolarHBondContact O-N 3.04Å; D49-E51 PolarHBondContact O-N 2.82Å; D49-E51 VanDerWaalsContact O-N 3.08Å; D49-D52 PolarHBondContact O-N 3.08Å; D49-Y53 WeakPolarHBondContact O-CD1 3.31Å
50P84.3Confident87.9Confident88 Ų8853.6 Ų53.657%0.57130%0.301SS*.G310 helixtrans-57.1-27.8-175.4-26.435000115.1D52 Y53P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 2.95Å; P50-Y53 HydrophobicContact CB-CD2 4.28Å; P50-Y53 HydrophobicContact CB-CE2 3.89Å; P50-Y53 HydrophobicContact CG-CE2 4.36Å; P50-Y53 WeakPolarHBondContact O-CB 3.48Å; P50-Y53 PolarHBondContact O-N 3.47Å
51E82.8Confident87.9Confident190 Ų19053.8 Ų53.889%0.88830%0.301SS*.G310 helixtrans-71.4-24.1177.8-57.3-162.2167.600112.8D49D49-E51 PolarHBondContact O-N 2.82Å; D49-E51 VanDerWaalsContact O-N 3.08Å
52D82.1Confident87.8Confident18 Ų1847 Ų4710%0.09628%0.275CS..G310 helixtrans-96.16.3-179.6-89.610000112.6A21 L48 D49 P50 G54 K130 T131A21-D52 WeakPolarHBondContact CB-OD2 3.39Å; L48-D52 HydrophobicContact CB-CB 4.42Å; D49-D52 PolarHBondContact O-N 3.08Å; P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 2.95Å; D52-G54 PolarHBondContact O-N 3.47Å; D52-K130 HydrophobicContact CB-CG 3.95Å; D52-K130 WeakPolarHBondContact O-CE 3.38Å; D52-K130 VanDerWaalsContact OD2-CG 3.27Å; D52-K130 WeakPolarHBondContact OD2-CG 3.37Å; D52-T131 WeakPolarHBondContact OD1-CB 3.1Å; D52-T131 PolarHBondContact OD1-OG1 2.81Å; D52-T131 WeakPolarHBondContact OD2-CB 3.07Å; D52-T131 PolarHBondContact OD2-N 2.84Å; D52-T131 PolarHBondContact OD2-OG1 2.71Å; D52-T131 VanDerWaalsContact OD2-OG1 3.14Å
53Y81.6Confident87.6Confident138 Ų13847 Ų4754%0.54128%0.275SS..  trans-62.6126.2176.5-71.9-8.3000111.3L48 D49 P50L48-Y53 HydrophobicContact CB-CD1 4.17Å; L48-Y53 HydrophobicContact CB-CE1 4.25Å; L48-Y53 WeakPolarHBondContact O-CE1 3.43Å; D49-Y53 WeakPolarHBondContact O-CD1 3.31Å; P50-Y53 HydrophobicContact CB-CD2 4.28Å; P50-Y53 HydrophobicContact CB-CE2 3.89Å; P50-Y53 HydrophobicContact CG-CE2 4.36Å; P50-Y53 WeakPolarHBondContact O-CB 3.48Å; P50-Y53 PolarHBondContact O-N 3.47Å
54G75.3Confident87.4Confident36 Ų3647.6 Ų47.637%0.37127%0.272SS..SBendtrans144.2158.7176.600000111.6D52 N56 K130D52-G54 PolarHBondContact O-N 3.47Å; G54-N56 VanDerWaalsContact C-N 3.33Å; G54-N56 PolarHBondContact O-N 2.72Å; G54-K130 PolarHBondContact O-NZ 2.87Å
55P70.4Confident86.9Confident70 Ų7049.3 Ų49.346%0.45528%0.283SS..SBendtrans-78.6-16.9-176.230.4-34.6000113.5
56N79.1Confident85.7Confident137 Ų13751 Ų5173%0.73329%0.289SS*.THydrogen-bonded Turntrans-80.9136.7-169.5-60.8-18.4000111.7G54 L58 K130G54-N56 VanDerWaalsContact C-N 3.33Å; G54-N56 PolarHBondContact O-N 2.72Å; N56-L58 VanDerWaalsContact C-N 3.26Å; N56-L58 PolarHBondContact O-N 3.44Å; N56-K130 WeakPolarHBondContact O-CE 3.33Å; N56-K130 PolarHBondContact O-NZ 3.01Å
57G83.4Confident84Confident57 Ų5756 Ų5659%0.58832%0.324SS*.THydrogen-bonded Turntrans7115.5175.900000115.2K130G57-K130 WeakPolarHBondContact O-CD 3.35Å
58L91.3Very high82.4Confident11 Ų1155.9 Ų55.96%0.05832%0.321CS..  trans-79.3123.5166.7178.569.7000109Y46 N56 I60 Y80 V128 K130Y46-L58 HydrophobicContact CE2-CD1 4.13Å; Y46-L58 VanDerWaalsContact OH-CD2 3.26Å; Y46-L58 WeakPolarHBondContact OH-CD2 3.17Å; N56-L58 VanDerWaalsContact C-N 3.26Å; N56-L58 PolarHBondContact O-N 3.44Å; L58-I60 HydrophobicContact CD1-CD1 4.49Å; L58-I60 HydrophobicContact CD1-CG1 4.27Å; L58-I60 HydrophobicContact CD2-CD1 3.96Å; L58-I60 HydrophobicContact CG-CD1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.24Å; L58-Y80 HydrophobicContact CD2-CE1 4.39Å; L58-V128 HydrophobicContact CD1-CG1 3.92Å; L58-K130 HydrophobicContact CB-CD 4.31Å
59D93.9Very high80.7Confident24 Ų2460.2 Ų60.213%0.12835%0.35CS..EExtended strand (participates in β ladder)trans-124.5122.6174.6168.139.6000109.2Q81 K129D59-Q81 HydrophobicContact CB-CG 4.14Å; D59-Q81 VanDerWaalsContact OD1-CD 3.31Å; D59-Q81 WeakPolarHBondContact OD1-CG 3.04Å; D59-Q81 PolarHBondContact OD1-NE2 2.97Å; D59-K129 HydrophobicContact CB-CB 4.12Å; D59-K129 PolarHBondContact N-O 2.9Å; D59-K129 PolarHBondContact O-N 2.75Å; D59-K129 WeakPolarHBondContact OD2-CD 3.43Å; D59-K129 WeakPolarHBondContact OD2-CE 3.34Å; D59-K129 IonicContact OD2-NZ 3.66Å; D59-K129 PolarHBondContact OD2-NZ 3.42Å
60I95.4Very high79.2Confident0 Ų061.9 Ų61.90%037%0.37CS..EExtended strand (participates in β ladder)trans-120128.4177.8-62.7160.6000108Y46 L58 S79 Y80 F99 P104 A109 R127 V128Y46-I60 HydrophobicContact CE1-CD1 4.02Å; L58-I60 HydrophobicContact CD1-CD1 4.49Å; L58-I60 HydrophobicContact CD1-CG1 4.27Å; L58-I60 HydrophobicContact CD2-CD1 3.96Å; L58-I60 HydrophobicContact CG-CD1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.24Å; I60-S79 CarbonylContact O-C 3.6Å; I60-S79 WeakPolarHBondContact O-CA 3.31Å; I60-S79 VanDerWaalsContact O-CB 3.31Å; I60-S79 WeakPolarHBondContact O-CB 3.26Å; I60-Y80 HydrophobicContact CD1-CD1 4.27Å; I60-Y80 PolarHBondContact N-O 2.89Å; I60-Y80 PolarHBondContact O-N 2.85Å; I60-F99 HydrophobicContact CG2-CE1 3.98Å; I60-F99 HydrophobicContact CG2-CZ 4.24Å; I60-P104 HydrophobicContact CD1-CB 3.75Å; I60-A109 HydrophobicContact CD1-CB 4.02Å; I60-A109 HydrophobicContact CG1-CB 4.32Å; I60-A109 HydrophobicContact CG2-CB 3.62Å; I60-R127 CarbonylContact C-O 3.43Å; I60-R127 WeakPolarHBondContact CA-O 3.38Å; I60-V128 HydrophobicContact CG1-CG1 4.22Å; I60-V128 HydrophobicContact CG1-CG2 4.34Å
61E94.4Very high77.6Confident24 Ų2463.1 Ų63.111%0.11237%0.368CS..EExtended strand (participates in β ladder)trans-129.2138179.4-65.2173.7162.800110.6V76 R127 K129E61-V76 HydrophobicContact CB-CG1 4.27Å; E61-V76 HydrophobicContact CG-CG1 4.39Å; E61-R127 HydrophobicContact CB-CB 4.34Å; E61-R127 PolarHBondContact N-O 2.82Å; E61-R127 PolarHBondContact O-N 2.96Å; E61-R127 IonicContact OE2-NH1 3.92Å; E61-K129 IonicContact OE1-NZ 3.74Å; E61-K129 PolarHBondContact OE1-NZ 3.4Å; E61-K129 WeakPolarHBondContact OE2-CE 3.48Å; E61-K129 IonicContact OE2-NZ 2.88Å; E61-K129 PolarHBondContact OE2-NZ 3.28Å
62W94.3Very high76.2Confident1 Ų160.7 Ų60.70%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-116.4130.5166.3-85.691.7000109.9L42 C44 V76 F77 L78 A109 I111 E125 C126L42-W62 HydrophobicContact CB-CH2 3.52Å; L42-W62 HydrophobicContact CB-CZ2 4.16Å; L42-W62 HydrophobicContact CB-CZ3 4.1Å; L42-W62 HydrophobicContact CD1-CH2 4.21Å; L42-W62 HydrophobicContact CD1-CZ3 3.91Å; C44-W62 HydrophobicContact CB-CH2 4.5Å; C44-W62 HydrophobicContact CB-CZ2 3.72Å; W62-V76 WeakPolarHBondContact O-CA 3.38Å; W62-F77 HydrophobicContact CB-CE1 4.15Å; W62-F77 HydrophobicContact CB-CE2 3.85Å; W62-F77 HydrophobicContact CB-CZ 3.6Å; W62-F77 HydrophobicContact CE3-CZ 4.47Å; W62-F77 HydrophobicContact CG-CZ 4.43Å; W62-F77 WeakPolarHBondContact O-CD1 3.43Å; W62-F77 PolarHBondContact O-N 3.07Å; W62-L78 HydrophobicContact CB-CB 4.35Å; W62-L78 PolarHBondContact N-O 2.94Å; W62-L78 PolarHBondContact O-N 2.76Å; W62-A109 PolarHBondContact NE1-O 2.93Å; W62-I111 HydrophobicContact CB-CD1 4.43Å; W62-I111 VanDerWaalsContact CD1-CG2 3.48Å; W62-I111 HydrophobicContact CD2-CD1 3.54Å; W62-I111 HydrophobicContact CD2-CG1 3.94Å; W62-I111 HydrophobicContact CD2-CG2 4.26Å; W62-I111 HydrophobicContact CE3-CD1 3.69Å; W62-I111 HydrophobicContact CE3-CG1 4.29Å; W62-I111 HydrophobicContact CG-CD1 3.91Å; W62-I111 HydrophobicContact CG-CG1 4.45Å; W62-I111 HydrophobicContact CG-CG2 4.01Å; W62-I111 HydrophobicContact CH2-CD1 4.39Å; W62-I111 HydrophobicContact CH2-CG1 4.17Å; W62-I111 HydrophobicContact CZ2-CD1 4.26Å; W62-I111 HydrophobicContact CZ2-CG1 3.79Å; W62-I111 HydrophobicContact CZ3-CD1 4.13Å; W62-I111 HydrophobicContact CZ3-CG1 4.41Å; W62-E125 WeakPolarHBondContact CA-O 3.15Å; W62-C126 HydrophobicContact CD2-CB 4.07Å; W62-C126 HydrophobicContact CE3-CB 4.25Å; W62-C126 HydrophobicContact CH2-CB 3.78Å; W62-C126 HydrophobicContact CZ2-CB 3.57Å; W62-C126 HydrophobicContact CZ3-CB 4.1Å
63M90.4Very high75.2Confident2 Ų268.5 Ų68.51%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-142.3153.7-174.765.4-151.6-58.900112.6V65 E74 N75 V76 Y124 E125 R127M63-V65 HydrophobicContact CG-CG2 4.31Å; M63-E74 HydrophobicContact CE-CB 3.25Å; M63-E74 VanDerWaalsContact CE-CD 3.44Å; M63-E74 HydrophobicContact CE-CG 3.41Å; M63-E74 VanDerWaalsContact CE-CG 3.41Å; M63-N75 VanDerWaalsContact CA-O 3.29Å; M63-N75 WeakPolarHBondContact CA-O 3.43Å; M63-V76 HydrophobicContact CB-CG2 4.15Å; M63-V76 HydrophobicContact CE-CG2 4.18Å; M63-Y124 WeakPolarHBondContact O-CA 3.34Å; M63-E125 HydrophobicContact CG-CB 3.87Å; M63-E125 PolarHBondContact N-O 2.88Å; M63-E125 PolarHBondContact O-N 3.02Å; M63-E125 HydrophobicContact SD-CB 4.46Å; M63-R127 VanDerWaalsContact CE-NH2 3.34Å; M63-R127 PolarHBondContact SD-NH2 2.83Å
64Q89.7Confident74.5Confident33 Ų3367.6 Ų67.615%0.15439%0.385CS..EExtended strand (participates in β ladder)trans-88.8123165.1-72.5-176.2-16.900109.2N75 F77 L90 A122 T123 Y124Q64-N75 PolarHBondContact N-O 2.86Å; Q64-N75 VanDerWaalsContact N-O 3.12Å; Q64-F77 HydrophobicContact CG-CD1 4.29Å; Q64-F77 HydrophobicContact CG-CE1 4.21Å; Q64-L90 HydrophobicContact CG-CD1 4.39Å; Q64-A122 HydrophobicContact CB-CB 4.44Å; Q64-A122 HydrophobicContact CG-CB 4.03Å; Q64-T123 WeakPolarHBondContact CA-O 3.29Å; Q64-Y124 HydrophobicContact CG-CD1 4.07Å; Q64-Y124 HydrophobicContact CG-CE1 3.72Å; Q64-Y124 PolarHBondContact NE2-OH 3.18Å
65V83.9Confident74.9Confident36 Ų3668.7 Ų68.722%0.21838%0.383CS..EExtended strand (participates in β ladder)trans-91.1116.5175.1-174.60000107.8M63 T123 E125M63-V65 HydrophobicContact CG-CG2 4.31Å; V65-T123 HydrophobicContact CB-CG2 4.46Å; V65-T123 PolarHBondContact N-O 3.32Å; V65-E125 HydrophobicContact CG2-CB 3.52Å; V65-E125 HydrophobicContact CG2-CG 4.43Å; V65-E125 WeakPolarHBondContact CG2-OE2 3.35Å
66N68.6Low75.8Confident84 Ų8467.2 Ų67.245%0.44937%0.372SS..PPolyproline II helixtrans-75.2139.7173.4-161.99.5000109.8D68N66-D68 PolarHBondContact O-N 2.68Å
67S56.3Low76.4Confident106 Ų10660.8 Ų60.874%0.74134%0.337SS*.SBendtrans-75.4-9.5-178.5-49.90000113.6P69S67-P69 WeakPolarHBondContact O-CD 3.45Å
68D56.8Low76.9Confident67 Ų6758 Ų5836%0.35831%0.309SS..  trans-84.8113.6-179.6-178.69.3000111.8N66 A70 H71N66-D68 PolarHBondContact O-N 2.68Å; D68-A70 PolarHBondContact O-N 3.05Å; D68-A70 WeakPolarHBondContact OD1-CB 3.46Å; D68-A70 PolarHBondContact OD1-N 2.79Å; D68-H71 CarbonylContact O-C 3.55Å; D68-H71 PolarHBondContact O-N 3.27Å; D68-H71 IonicContact OD2-CG 3.81Å; D68-H71 IonicContact OD2-ND1 3.58Å; D68-H71 PolarHBondContact OD2-ND1 2.93Å; D68-H71 VanDerWaalsContact OD2-ND1 3.16Å
69P54.9Low77.1Confident99 Ų9958.1 Ų58.164%0.64331%0.311SS*.G310 helixtrans-65.6-20.5179.9-1730.3000114.4S67 H72S67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-H72 WeakPolarHBondContact CA-CE1 3.45Å; P69-H72 PolarHBondContact O-CE1 3.07Å; P69-H72 PolarHBondContact O-ND1 2.97Å
70A53.9Low77.1Confident79 Ų7957.6 Ų57.665%0.65331%0.307SS*.G310 helixtrans-79.4-20.8-179.500000112.9D68D68-A70 PolarHBondContact O-N 3.05Å; D68-A70 WeakPolarHBondContact OD1-CB 3.46Å; D68-A70 PolarHBondContact OD1-N 2.79Å
71H51.5Low77Confident114 Ų11460.9 Ų60.953%0.52832%0.322SS..G310 helixtrans-134.364.1-179.6-6192.3000110D68 R73D68-H71 CarbonylContact O-C 3.55Å; D68-H71 PolarHBondContact O-N 3.27Å; D68-H71 IonicContact OD2-CG 3.81Å; D68-H71 IonicContact OD2-ND1 3.58Å; D68-H71 PolarHBondContact OD2-ND1 2.93Å; D68-H71 VanDerWaalsContact OD2-ND1 3.16Å; H71-R73 PolarHBondContact O-N 3.14Å
72H54Low76.6Confident138 Ų13866.4 Ų66.464%0.63935%0.353SS*.  trans-62.972.5166-72.689.9000109.8P69 E74P69-H72 WeakPolarHBondContact CA-CE1 3.45Å; P69-H72 PolarHBondContact O-CE1 3.07Å; P69-H72 PolarHBondContact O-ND1 2.97Å; H72-E74 PolarHBondContact O-N 2.93Å
73R60.8Low76.2Confident183 Ų18373.2 Ų73.269%0.69138%0.382SS*.  trans-83.598.9167.4-80.8-172.5165.5172.4-3.1106.9H71 N75H71-R73 PolarHBondContact O-N 3.14Å; R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 2.91Å
74E67.2Low76.2Confident118 Ų11882 Ų8255%0.55142%0.416SS*.  trans-64.687.5167.6-71.9-155.2157.400109.3M63 H72 V76 R127M63-E74 HydrophobicContact CE-CB 3.25Å; M63-E74 VanDerWaalsContact CE-CD 3.44Å; M63-E74 HydrophobicContact CE-CG 3.41Å; M63-E74 VanDerWaalsContact CE-CG 3.41Å; H72-E74 PolarHBondContact O-N 2.93Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 2.85Å; E74-V76 VanDerWaalsContact O-N 3.07Å; E74-R127 IonicContact OE1-CZ 3.79Å; E74-R127 IonicContact OE1-NH1 3.19Å; E74-R127 PolarHBondContact OE1-NH1 3.48Å; E74-R127 IonicContact OE1-NH2 3.61Å; E74-R127 PolarHBondContact OE1-NH2 2.84Å; E74-R127 IonicContact OE2-CZ 2.72Å; E74-R127 IonicContact OE2-NH1 2.85Å; E74-R127 PolarHBondContact OE2-NH1 3.06Å; E74-R127 IonicContact OE2-NH2 3.77Å
75N81.8Confident76.4Confident60 Ų6084.1 Ų84.132%0.32143%0.427SS..EExtended strand (participates in β ladder)trans-86.577.6-178.5-67.7-29.7000110M63 Q64 R73 F77 L90M63-N75 VanDerWaalsContact CA-O 3.29Å; M63-N75 WeakPolarHBondContact CA-O 3.43Å; Q64-N75 PolarHBondContact N-O 2.86Å; Q64-N75 VanDerWaalsContact N-O 3.12Å; R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 2.91Å; N75-F77 PolarHBondContact O-N 2.82Å; N75-L90 HydrophobicContact CB-CD1 3.86Å; N75-L90 HydrophobicContact CB-CG 4.46Å
76V89.5Confident76.8Confident38 Ų3885.7 Ų85.723%0.2343%0.434CS..EExtended strand (participates in β ladder)trans-63.4125.5170.5-176.10000108.3E61 W62 M63 E74 G88E61-V76 HydrophobicContact CB-CG1 4.27Å; E61-V76 HydrophobicContact CG-CG1 4.39Å; W62-V76 WeakPolarHBondContact O-CA 3.38Å; M63-V76 HydrophobicContact CB-CG2 4.15Å; M63-V76 HydrophobicContact CE-CG2 4.18Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 2.85Å; E74-V76 VanDerWaalsContact O-N 3.07Å; V76-G88 VanDerWaalsContact O-CA 3.3Å; V76-G88 WeakPolarHBondContact O-CA 3.43Å
77F91.7Very high77.8Confident2 Ų285.8 Ų85.81%0.00943%0.432CS..EExtended strand (participates in β ladder)trans-116.2-18.8179.561.8-98.4000113.2W62 Q64 N75 G88 L90 L93 V97 I111 Y124W62-F77 HydrophobicContact CB-CE1 4.15Å; W62-F77 HydrophobicContact CB-CE2 3.85Å; W62-F77 HydrophobicContact CB-CZ 3.6Å; W62-F77 HydrophobicContact CE3-CZ 4.47Å; W62-F77 HydrophobicContact CG-CZ 4.43Å; W62-F77 WeakPolarHBondContact O-CD1 3.43Å; W62-F77 PolarHBondContact O-N 3.07Å; Q64-F77 HydrophobicContact CG-CD1 4.29Å; Q64-F77 HydrophobicContact CG-CE1 4.21Å; N75-F77 PolarHBondContact O-N 2.82Å; F77-G88 PolarHBondContact O-N 2.03Å; F77-L90 HydrophobicContact CB-CB 3.94Å; F77-L90 HydrophobicContact CB-CD1 4Å; F77-L90 HydrophobicContact CB-CG 4.39Å; F77-L90 HydrophobicContact CD1-CD1 4.35Å; F77-L93 HydrophobicContact CD1-CD1 4.28Å; F77-L93 HydrophobicContact CG-CD1 4.25Å; F77-V97 HydrophobicContact CD2-CG1 3.94Å; F77-V97 HydrophobicContact CD2-CG2 4.4Å; F77-V97 HydrophobicContact CE2-CB 4.46Å; F77-V97 HydrophobicContact CE2-CG1 4.18Å; F77-V97 HydrophobicContact CE2-CG2 3.78Å; F77-I111 HydrophobicContact CE2-CD1 4.02Å; F77-I111 HydrophobicContact CZ-CD1 3.92Å; F77-Y124 AromaticContact CE1-CD1 3.64Å; F77-Y124 HydrophobicContact CE1-CD1 3.64Å; F77-Y124 AromaticContact CE1-CE1 3.85Å; F77-Y124 HydrophobicContact CE1-CE1 3.85Å; F77-Y124 AromaticContact CZ-CD1 3.74Å; F77-Y124 HydrophobicContact CZ-CD1 3.74Å; F77-Y124 AromaticContact CZ-CE1 3.98Å; F77-Y124 HydrophobicContact CZ-CE1 3.98Å
78L94.3Very high79.1Confident0 Ų081.5 Ų81.50%040%0.404CS..EExtended strand (participates in β ladder)trans-147.3131.2176.8-173.972000108.9W62 I85 V97 F99 I111W62-L78 HydrophobicContact CB-CB 4.35Å; W62-L78 PolarHBondContact N-O 2.94Å; W62-L78 PolarHBondContact O-N 2.76Å; L78-I85 HydrophobicContact CD1-CG2 3.64Å; L78-V97 HydrophobicContact CD2-CG2 4.41Å; L78-F99 HydrophobicContact CD1-CD2 4.42Å; L78-F99 HydrophobicContact CD1-CE2 4.11Å; L78-F99 HydrophobicContact CD2-CD1 4.26Å; L78-F99 HydrophobicContact CD2-CD2 3.84Å; L78-F99 HydrophobicContact CD2-CE1 4.15Å; L78-F99 HydrophobicContact CD2-CE2 3.71Å; L78-F99 HydrophobicContact CD2-CG 4.11Å; L78-F99 HydrophobicContact CD2-CZ 3.88Å; L78-F99 HydrophobicContact CG-CD2 4.18Å; L78-F99 HydrophobicContact CG-CE2 3.64Å; L78-F99 HydrophobicContact CG-CZ 3.9Å; L78-I111 HydrophobicContact CD2-CG2 3.64Å
79S94.8Very high80Confident13 Ų1385.8 Ų85.89%0.09143%0.427CS..EExtended strand (participates in β ladder)trans-140.3159.8173.1640000112.4I60 I85 N86I60-S79 CarbonylContact O-C 3.6Å; I60-S79 WeakPolarHBondContact O-CA 3.31Å; I60-S79 VanDerWaalsContact O-CB 3.31Å; I60-S79 WeakPolarHBondContact O-CB 3.26Å; S79-I85 CarbonylContact O-C 3.57Å; S79-I85 WeakPolarHBondContact O-CA 3.31Å; S79-N86 PolarHBondContact N-O 2.83Å; S79-N86 PolarHBondContact O-N 2.85Å
80Y94.9Very high81.2Confident13 Ų1383 Ų835%0.05141%0.407CS..EExtended strand (participates in β ladder)trans-129.3114.2174.4177.4-86.5000108.7L58 I60 R84 I85 D103 P104L58-Y80 HydrophobicContact CD2-CE1 4.39Å; I60-Y80 HydrophobicContact CD1-CD1 4.27Å; I60-Y80 PolarHBondContact N-O 2.89Å; I60-Y80 PolarHBondContact O-N 2.85Å; Y80-R84 WeakPolarHBondContact CA-O 3.44Å; Y80-I85 HydrophobicContact CD2-CG1 3.99Å; Y80-D103 PolarHBondContact OH-OD1 3.05Å; Y80-P104 HydrophobicContact CD1-CB 4.42Å; Y80-P104 HydrophobicContact CD2-CB 4.25Å; Y80-P104 HydrophobicContact CD2-CG 3.83Å; Y80-P104 HydrophobicContact CE2-CG 4.21Å; Y80-P104 HydrophobicContact CG-CB 4.15Å; Y80-P104 HydrophobicContact CG-CG 4.15Å
81Q92.5Very high82.4Confident68 Ų6882.9 Ų82.932%0.31840%0.4SS..EExtended strand (participates in β ladder)trans-142.4142.1-179-69.3175.45.900108.6D59 K83 R84D59-Q81 HydrophobicContact CB-CG 4.14Å; D59-Q81 VanDerWaalsContact OD1-CD 3.31Å; D59-Q81 WeakPolarHBondContact OD1-CG 3.04Å; D59-Q81 PolarHBondContact OD1-NE2 2.97Å; Q81-K83 PolarHBondContact O-N 2.82Å; Q81-K83 VanDerWaalsContact O-N 3.11Å; Q81-R84 PolarHBondContact N-O 3.04Å; Q81-R84 WeakPolarHBondContact O-CA 3.03Å; Q81-R84 WeakPolarHBondContact O-CB 3.27Å; Q81-R84 PolarHBondContact O-N 2.74Å; Q81-R84 VanDerWaalsContact O-O 3.09Å
82D87.6Confident83.9Confident140 Ų14084.9 Ų84.975%0.74941%0.409SS*.THydrogen-bonded Turntrans50.139.2178.1-60.2-38.8000114R84D82-R84 PolarHBondContact O-N 2.91Å
83K85.9Confident85.3Confident144 Ų14478.6 Ų78.663%0.62638%0.38SS*.THydrogen-bonded Turntrans60.921.7-176.3-53.1-178179-176.70114.8Q81Q81-K83 PolarHBondContact O-N 2.82Å; Q81-K83 VanDerWaalsContact O-N 3.11Å
84R90.4Very high86.4Confident187 Ų18772.9 Ų72.971%0.70636%0.361SS*.EExtended strand (participates in β ladder)trans-121140.4178-66.7-177.6170.8-166.9-2.5110Y80 Q81 D82Y80-R84 WeakPolarHBondContact CA-O 3.44Å; Q81-R84 PolarHBondContact N-O 3.04Å; Q81-R84 WeakPolarHBondContact O-CA 3.03Å; Q81-R84 WeakPolarHBondContact O-CB 3.27Å; Q81-R84 PolarHBondContact O-N 2.74Å; Q81-R84 VanDerWaalsContact O-O 3.09Å; D82-R84 PolarHBondContact O-N 2.91Å
85I92.8Very high87.4Confident78 Ų7874.8 Ų74.840%0.437%0.37SS..EExtended strand (participates in β ladder)trans-89.5124.5172-62.4168.6000107.5L78 S79 Y80 F99L78-I85 HydrophobicContact CD1-CG2 3.64Å; S79-I85 CarbonylContact O-C 3.57Å; S79-I85 WeakPolarHBondContact O-CA 3.31Å; Y80-I85 HydrophobicContact CD2-CG1 3.99Å; I85-F99 HydrophobicContact CD1-CD2 3.92Å; I85-F99 HydrophobicContact CG1-CD2 3.91Å; I85-F99 HydrophobicContact CG1-CE2 4.1Å; I85-F99 HydrophobicContact CG2-CD2 4.18Å; I85-F99 HydrophobicContact CG2-CE2 4.07Å
86N91.9Very high87.9Confident68 Ų6873.5 Ų73.536%0.36436%0.361SS..EExtended strand (participates in β ladder)trans-112.6141.4175.6-56.7-57.8000109.5S79S79-N86 PolarHBondContact N-O 2.83Å; S79-N86 PolarHBondContact O-N 2.85Å
87H90.5Very high88.2Confident86 Ų8671.7 Ų71.740%0.39835%0.35SS..EExtended strand (participates in β ladder)trans-104.6127.9176.7-69.2-71.3000109.2Q94 R98H87-Q94 HydrophobicContact CB-CG 4.1Å; H87-R98 PolarHBondContact CE1-NH1 3.16Å
88G84.3Confident88.3Confident16 Ų1677 Ų7717%0.16537%0.369CS..  trans-90.7-173.2-179.900000113V76 F77 L90 Q94V76-G88 VanDerWaalsContact O-CA 3.3Å; V76-G88 WeakPolarHBondContact O-CA 3.43Å; F77-G88 PolarHBondContact O-N 2.03Å; G88-L90 VanDerWaalsContact C-N 3.26Å; G88-L90 PolarHBondContact O-N 3.32Å; G88-Q94 PolarHBondContact O-NE2 3.37Å
89N74.3Confident88.4Confident158 Ų15877.8 Ų77.885%0.84537%0.373SS*.SBendtrans-80.431-161.5-70.7-21000116.7P91N89-P91 VanDerWaalsContact O-CD 3.28Å; N89-P91 WeakPolarHBondContact O-CD 3.19Å
90L81.3Confident88.4Confident39 Ų3978.7 Ų78.720%0.20438%0.381CS..  trans-114.480.4177.4-74.1175.8000111.8Q64 N75 F77 G88 H92 L93 Q94Q64-L90 HydrophobicContact CG-CD1 4.39Å; N75-L90 HydrophobicContact CB-CD1 3.86Å; N75-L90 HydrophobicContact CB-CG 4.46Å; F77-L90 HydrophobicContact CB-CB 3.94Å; F77-L90 HydrophobicContact CB-CD1 4Å; F77-L90 HydrophobicContact CB-CG 4.39Å; F77-L90 HydrophobicContact CD1-CD1 4.35Å; G88-L90 VanDerWaalsContact C-N 3.26Å; G88-L90 PolarHBondContact O-N 3.32Å; L90-H92 VanDerWaalsContact C-N 3.27Å; L90-H92 PolarHBondContact O-N 3.4Å; L90-H92 VanDerWaalsContact O-N 3.16Å; L90-L93 HydrophobicContact CB-CB 4.49Å; L90-L93 HydrophobicContact CB-CD1 4.2Å; L90-L93 HydrophobicContact CD1-CD1 3.96Å; L90-L93 PolarHBondContact O-N 2.98Å; L90-Q94 WeakPolarHBondContact O-CG 3.39Å; L90-Q94 PolarHBondContact O-N 3.46Å; L90-Q94 VanDerWaalsContact O-N 3.13Å
91P78.6Confident88.3Confident78 Ų7879.3 Ų79.351%0.50639%0.389SS..Hα-helixtrans-58.5-33.7-17121.2-32.5000113.9N89 L93 Q94N89-P91 VanDerWaalsContact O-CD 3.28Å; N89-P91 WeakPolarHBondContact O-CD 3.19Å; P91-L93 PolarHBondContact O-N 3.05Å; P91-Q94 PolarHBondContact O-N 2.97Å
92H81.9Confident88.2Confident155 Ų15582.2 Ų82.272%0.71842%0.417SS*.Hα-helixtrans-64-23.7177.9-64.4-73.2000114.1L90 R96L90-H92 VanDerWaalsContact C-N 3.27Å; L90-H92 PolarHBondContact O-N 3.4Å; L90-H92 VanDerWaalsContact O-N 3.16Å; H92-R96 PolarHBondContact O-NE 3.38Å; H92-R96 VanDerWaalsContact O-NE 3.07Å; H92-R96 PolarHBondContact O-NH2 3.31Å; H92-R96 VanDerWaalsContact O-NH2 3.08Å
93L84.3Confident88.4Confident6 Ų678 Ų783%0.03139%0.394CS..Hα-helixtrans-97.9-32.3177.2-67.6169.6000112.1F77 L90 P91 Q95 R96 V97 L113F77-L93 HydrophobicContact CD1-CD1 4.28Å; F77-L93 HydrophobicContact CG-CD1 4.25Å; L90-L93 HydrophobicContact CB-CB 4.49Å; L90-L93 HydrophobicContact CB-CD1 4.2Å; L90-L93 HydrophobicContact CD1-CD1 3.96Å; L90-L93 PolarHBondContact O-N 2.98Å; P91-L93 PolarHBondContact O-N 3.05Å; L93-Q95 PolarHBondContact O-N 2.95Å; L93-R96 PolarHBondContact O-N 3.07Å; L93-V97 WeakPolarHBondContact O-CB 3.43Å; L93-V97 VanDerWaalsContact O-CG1 3.28Å; L93-V97 WeakPolarHBondContact O-CG1 3.48Å; L93-V97 PolarHBondContact O-N 3.26Å; L93-L113 HydrophobicContact CD2-CD1 3.82Å
94Q84.9Confident88.7Confident63 Ų6371.1 Ų71.129%0.29436%0.364SS..Hα-helixtrans-51-35.9-176.6-72.61805.300113.7H87 G88 L90 P91 R98H87-Q94 HydrophobicContact CB-CG 4.1Å; G88-Q94 PolarHBondContact O-NE2 3.37Å; L90-Q94 WeakPolarHBondContact O-CG 3.39Å; L90-Q94 PolarHBondContact O-N 3.46Å; L90-Q94 VanDerWaalsContact O-N 3.13Å; P91-Q94 PolarHBondContact O-N 2.97Å; Q94-R98 PolarHBondContact O-NH1 2.91Å
95Q86.9Confident88.7Confident158 Ų15863.6 Ų63.674%0.73834%0.34SS*.THydrogen-bonded Turntrans-78.7-21.2-178.8-66.5-177.3-13.800113.5L93L93-Q95 PolarHBondContact O-N 2.95Å
96R93.4Very high88.6Confident34 Ų3466.5 Ų66.513%0.12835%0.352CS..THydrogen-bonded Turntrans-113.9-5.8-169.5-62.8-176.7-64.51310113.8H92 L93 L113 M114 N115 D120H92-R96 PolarHBondContact O-NE 3.38Å; H92-R96 VanDerWaalsContact O-NE 3.07Å; H92-R96 PolarHBondContact O-NH2 3.31Å; H92-R96 VanDerWaalsContact O-NH2 3.08Å; L93-R96 PolarHBondContact O-N 3.07Å; R96-L113 HydrophobicContact CB-CD1 4.47Å; R96-M114 WeakPolarHBondContact CB-O 3.27Å; R96-M114 WeakPolarHBondContact CD-O 3.29Å; R96-M114 PolarHBondContact NH1-O 2.85Å; R96-M114 PolarHBondContact O-N 3.19Å; R96-N115 PolarHBondContact NH1-O 2.94Å; R96-D120 IonicContact CZ-OD1 3.45Å; R96-D120 IonicContact CZ-OD2 3.99Å; R96-D120 VanDerWaalsContact CZ-OD2 3.31Å; R96-D120 IonicContact NH1-OD2 3.16Å; R96-D120 PolarHBondContact NH1-OD2 2.96Å; R96-D120 VanDerWaalsContact NH2-CG 3.32Å; R96-D120 IonicContact NH2-OD1 2.94Å; R96-D120 PolarHBondContact NH2-OD1 3.13Å; R96-D120 IonicContact NH2-OD2 3.81Å; R96-D120 PolarHBondContact NH2-OD2 3.07Å
97V94.7Very high88.5Confident0 Ų068.7 Ų68.70%036%0.356CS..EExtended strand (participates in β ladder)trans-113.1135.7-177.778.90000112.6F77 L78 L93 I111 N112 L113F77-V97 HydrophobicContact CD2-CG1 3.94Å; F77-V97 HydrophobicContact CD2-CG2 4.4Å; F77-V97 HydrophobicContact CE2-CB 4.46Å; F77-V97 HydrophobicContact CE2-CG1 4.18Å; F77-V97 HydrophobicContact CE2-CG2 3.78Å; L78-V97 HydrophobicContact CD2-CG2 4.41Å; L93-V97 WeakPolarHBondContact O-CB 3.43Å; L93-V97 VanDerWaalsContact O-CG1 3.28Å; L93-V97 WeakPolarHBondContact O-CG1 3.48Å; L93-V97 PolarHBondContact O-N 3.26Å; V97-I111 HydrophobicContact CG2-CB 4.36Å; V97-I111 HydrophobicContact CG2-CD1 3.9Å; V97-N112 WeakPolarHBondContact CA-O 3.23Å; V97-L113 HydrophobicContact CB-CD1 4.09Å; V97-L113 HydrophobicContact CG2-CD1 4.26Å
98R94.8Very high88.7Confident112 Ų11266 Ų6642%0.42335%0.345SS..EExtended strand (participates in β ladder)trans-146.7154177.6-59.7-69.9174.8-110.94.5109.5H87 Q94 I111 N112H87-R98 PolarHBondContact CE1-NH1 3.16Å; Q94-R98 PolarHBondContact O-NH1 2.91Å; R98-I111 CarbonylContact O-C 3.46Å; R98-I111 VanDerWaalsContact O-CA 3.31Å; R98-I111 WeakPolarHBondContact O-CA 3.37Å; R98-I111 WeakPolarHBondContact O-CB 3.4Å; R98-N112 PolarHBondContact N-O 3.01Å; R98-N112 VanDerWaalsContact N-O 3.08Å; R98-N112 PolarHBondContact O-N 3.08Å
99F96.1Very high89.2Confident18 Ų1865.3 Ų65.38%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-62140.6164.9-74.6-73000110.1I60 L78 I85 P104 I111I60-F99 HydrophobicContact CG2-CE1 3.98Å; I60-F99 HydrophobicContact CG2-CZ 4.24Å; L78-F99 HydrophobicContact CD1-CD2 4.42Å; L78-F99 HydrophobicContact CD1-CE2 4.11Å; L78-F99 HydrophobicContact CD2-CD1 4.26Å; L78-F99 HydrophobicContact CD2-CD2 3.84Å; L78-F99 HydrophobicContact CD2-CE1 4.15Å; L78-F99 HydrophobicContact CD2-CE2 3.71Å; L78-F99 HydrophobicContact CD2-CG 4.11Å; L78-F99 HydrophobicContact CD2-CZ 3.88Å; L78-F99 HydrophobicContact CG-CD2 4.18Å; L78-F99 HydrophobicContact CG-CE2 3.64Å; L78-F99 HydrophobicContact CG-CZ 3.9Å; I85-F99 HydrophobicContact CD1-CD2 3.92Å; I85-F99 HydrophobicContact CG1-CD2 3.91Å; I85-F99 HydrophobicContact CG1-CE2 4.1Å; I85-F99 HydrophobicContact CG2-CD2 4.18Å; I85-F99 HydrophobicContact CG2-CE2 4.07Å; F99-P104 HydrophobicContact CB-CG 3.79Å; F99-P104 HydrophobicContact CD1-CB 4.13Å; F99-P104 HydrophobicContact CD1-CG 3.61Å; F99-P104 HydrophobicContact CD2-CG 3.7Å; F99-P104 HydrophobicContact CE1-CB 4.29Å; F99-P104 HydrophobicContact CE1-CG 4.06Å; F99-P104 HydrophobicContact CE2-CG 4.14Å; F99-P104 HydrophobicContact CG-CB 4.4Å; F99-P104 HydrophobicContact CG-CG 3.41Å; F99-P104 VanDerWaalsContact CG-CG 3.41Å; F99-P104 HydrophobicContact CZ-CG 4.3Å; F99-I111 HydrophobicContact CD1-CG2 3.82Å; F99-I111 HydrophobicContact CE1-CG2 4.09Å
100A95.1Very high90.2Very high32 Ų3257.9 Ų57.926%0.26430%0.298SS..SBendtrans-73.9-38.3179.400000111.2R41 S110R41-A100 HydrophobicContact CG-CB 4.41Å; A100-S110 WeakPolarHBondContact CB-O 3.47Å; A100-S110 PolarHBondContact N-O 3.27Å
101A92.7Very high90.9Very high25 Ų2556 Ų5621%0.20729%0.288CS..SBendtrans-83.2144.6170.400000110.7D103 D108A101-D103 PolarHBondContact O-N 2.74Å; A101-D108 HydrophobicContact CB-CB 4.19Å
102S90.3Very high91.7Very high130 Ų13055.2 Ų55.291%0.90928%0.28SS*.SBendtrans-64.2-30.2173-53.70000112.2
103D91Very high92.4Very high51 Ų5148 Ų4827%0.27325%0.246SC..  trans-132.6100.6175-176.66.7000110.2Y80 A101 S105 Q106Y80-D103 PolarHBondContact OH-OD1 3.05Å; A101-D103 PolarHBondContact O-N 2.74Å; D103-S105 PolarHBondContact O-N 2.88Å; D103-S105 VanDerWaalsContact O-N 3.08Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.08Å; D103-S105 VanDerWaalsContact OD1-N 3.11Å; D103-S105 PolarHBondContact OD1-OG 3.09Å; D103-S105 PolarHBondContact OD2-OG 3.24Å; D103-Q106 HydrophobicContact CB-CG 4.33Å; D103-Q106 PolarHBondContact O-N 2.86Å; D103-Q106 VanDerWaalsContact O-N 3.07Å
104P92.6Very high92.9Very high0 Ų051.5 Ų51.50%026%0.263CS..THydrogen-bonded Turntrans-59.7-16.7178.4-25.635000114.8Y46 I60 Y80 F99 Q106 D108Y46-P104 WeakPolarHBondContact CE1-O 3.34Å; Y46-P104 PolarHBondContact OH-O 3.29Å; I60-P104 HydrophobicContact CD1-CB 3.75Å; Y80-P104 HydrophobicContact CD1-CB 4.42Å; Y80-P104 HydrophobicContact CD2-CB 4.25Å; Y80-P104 HydrophobicContact CD2-CG 3.83Å; Y80-P104 HydrophobicContact CE2-CG 4.21Å; Y80-P104 HydrophobicContact CG-CB 4.15Å; Y80-P104 HydrophobicContact CG-CG 4.15Å; F99-P104 HydrophobicContact CB-CG 3.79Å; F99-P104 HydrophobicContact CD1-CB 4.13Å; F99-P104 HydrophobicContact CD1-CG 3.61Å; F99-P104 HydrophobicContact CD2-CG 3.7Å; F99-P104 HydrophobicContact CE1-CB 4.29Å; F99-P104 HydrophobicContact CE1-CG 4.06Å; F99-P104 HydrophobicContact CE2-CG 4.14Å; F99-P104 HydrophobicContact CG-CB 4.4Å; F99-P104 HydrophobicContact CG-CG 3.41Å; F99-P104 VanDerWaalsContact CG-CG 3.41Å; F99-P104 HydrophobicContact CZ-CG 4.3Å; P104-Q106 PolarHBondContact O-N 3.43Å; P104-D108 WeakPolarHBondContact CA-O 3.28Å
105S90Very high93.4Very high28 Ų2852.4 Ų52.420%0.19627%0.27CS..THydrogen-bonded Turntrans-70.3-13.6175.6750000113.5Y46 D103 Y107Y46-S105 WeakPolarHBondContact OH-CA 3.45Å; Y46-S105 PolarHBondContact OH-O 3.09Å; D103-S105 PolarHBondContact O-N 2.88Å; D103-S105 VanDerWaalsContact O-N 3.08Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.08Å; D103-S105 VanDerWaalsContact OD1-N 3.11Å; D103-S105 PolarHBondContact OD1-OG 3.09Å; D103-S105 PolarHBondContact OD2-OG 3.24Å; S105-Y107 PolarHBondContact O-N 2.72Å; S105-Y107 VanDerWaalsContact O-N 3.09Å
106Q90.3Very high93.7Very high139 Ų13944.9 Ų44.965%0.6524%0.235SC*.SBendtrans-8547.1173.1-60.3-165.142.600112.2D103 P104 D108D103-Q106 HydrophobicContact CB-CG 4.33Å; D103-Q106 PolarHBondContact O-N 2.86Å; D103-Q106 VanDerWaalsContact O-N 3.07Å; P104-Q106 PolarHBondContact O-N 3.43Å; Q106-D108 PolarHBondContact O-N 2.97Å
107Y91.3Very high93.7Very high114 Ų11446 Ų4645%0.44724%0.242SC..SBendtrans65.311.2169.1-48-73.5000116.1Y46 L48 S105Y46-Y107 VanDerWaalsContact CE1-C 3.46Å; Y46-Y107 HydrophobicContact CE2-CD1 4.06Å; Y46-Y107 VanDerWaalsContact CZ-CA 3.49Å; Y46-Y107 PolarHBondContact N-O 2.89Å; Y46-Y107 WeakPolarHBondContact O-CB 3.49Å; Y46-Y107 PolarHBondContact OH-N 2.85Å; L48-Y107 HydrophobicContact CB-CE1 4.44Å; L48-Y107 HydrophobicContact CD1-CE1 4.05Å; L48-Y107 HydrophobicContact CG-CD1 4.43Å; L48-Y107 HydrophobicContact CG-CE1 4.17Å; S105-Y107 PolarHBondContact O-N 2.72Å; S105-Y107 VanDerWaalsContact O-N 3.09Å
108D93.1Very high93.6Very high31 Ų3149 Ų4917%0.16626%0.259CS..BIsolated β-bridgetrans-128.599.7177.3-171.25.7000111.6R41 A101 P104 Q106 S110R41-D108 IonicContact CZ-OD2 3.98Å; R41-D108 IonicContact NH2-OD2 2.73Å; R41-D108 PolarHBondContact NH2-OD2 2.79Å; A101-D108 HydrophobicContact CB-CB 4.19Å; P104-D108 WeakPolarHBondContact CA-O 3.28Å; Q106-D108 PolarHBondContact O-N 2.97Å; D108-S110 VanDerWaalsContact C-N 3.29Å; D108-S110 WeakPolarHBondContact OD1-CB 3.45Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.13Å
109A94.8Very high93.3Very high0 Ų048.5 Ų48.50%027%0.274CS..  trans-90.514.517600000112.8C44 Y46 I60 W62 V128C44-A109 HydrophobicContact CB-CB 4.16Å; C44-A109 WeakPolarHBondContact O-CA 3.26Å; C44-A109 WeakPolarHBondContact O-CB 3.41Å; C44-A109 PolarHBondContact O-N 3.27Å; Y46-A109 HydrophobicContact CD1-CB 3.89Å; Y46-A109 HydrophobicContact CE1-CB 4.03Å; I60-A109 HydrophobicContact CD1-CB 4.02Å; I60-A109 HydrophobicContact CG1-CB 4.32Å; I60-A109 HydrophobicContact CG2-CB 3.62Å; W62-A109 PolarHBondContact NE1-O 2.93Å; A109-V128 HydrophobicContact CB-CG2 4.16Å
110S95.9Very high93.1Very high3 Ų347.9 Ų47.92%0.02127%0.271CS..  trans-63.4151.1-180-56.10000112.4L42 G43 C44 A100 D108L42-S110 VanDerWaalsContact O-CA 3.27Å; L42-S110 WeakPolarHBondContact O-CA 3.5Å; L42-S110 WeakPolarHBondContact O-CB 3.3Å; G43-S110 WeakPolarHBondContact CA-OG 3.28Å; C44-S110 PolarHBondContact N-OG 3.13Å; A100-S110 WeakPolarHBondContact CB-O 3.47Å; A100-S110 PolarHBondContact N-O 3.27Å; D108-S110 VanDerWaalsContact C-N 3.29Å; D108-S110 WeakPolarHBondContact OD1-CB 3.45Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.13Å
111I96.4Very high92.9Very high0 Ų049.4 Ų49.40%028%0.277CS..EExtended strand (participates in β ladder)trans-123.1150.8176.760.2168.2000111.5R41 L42 W62 F77 L78 V97 R98 F99R41-I111 CarbonylContact C-O 3.58Å; R41-I111 VanDerWaalsContact CA-O 3.31Å; R41-I111 WeakPolarHBondContact CA-O 3.38Å; L42-I111 HydrophobicContact CB-CG1 3.93Å; L42-I111 HydrophobicContact CD1-CD1 4.16Å; L42-I111 HydrophobicContact CD1-CG1 4.37Å; L42-I111 HydrophobicContact CG-CG1 4.37Å; L42-I111 PolarHBondContact N-O 2.88Å; L42-I111 PolarHBondContact O-N 3.07Å; L42-I111 VanDerWaalsContact O-N 3.07Å; W62-I111 HydrophobicContact CB-CD1 4.43Å; W62-I111 VanDerWaalsContact CD1-CG2 3.48Å; W62-I111 HydrophobicContact CD2-CD1 3.54Å; W62-I111 HydrophobicContact CD2-CG1 3.94Å; W62-I111 HydrophobicContact CD2-CG2 4.26Å; W62-I111 HydrophobicContact CE3-CD1 3.69Å; W62-I111 HydrophobicContact CE3-CG1 4.29Å; W62-I111 HydrophobicContact CG-CD1 3.91Å; W62-I111 HydrophobicContact CG-CG1 4.45Å; W62-I111 HydrophobicContact CG-CG2 4.01Å; W62-I111 HydrophobicContact CH2-CD1 4.39Å; W62-I111 HydrophobicContact CH2-CG1 4.17Å; W62-I111 HydrophobicContact CZ2-CD1 4.26Å; W62-I111 HydrophobicContact CZ2-CG1 3.79Å; W62-I111 HydrophobicContact CZ3-CD1 4.13Å; W62-I111 HydrophobicContact CZ3-CG1 4.41Å; F77-I111 HydrophobicContact CE2-CD1 4.02Å; F77-I111 HydrophobicContact CZ-CD1 3.92Å; L78-I111 HydrophobicContact CD2-CG2 3.64Å; V97-I111 HydrophobicContact CG2-CB 4.36Å; V97-I111 HydrophobicContact CG2-CD1 3.9Å; R98-I111 CarbonylContact O-C 3.46Å; R98-I111 VanDerWaalsContact O-CA 3.31Å; R98-I111 WeakPolarHBondContact O-CA 3.37Å; R98-I111 WeakPolarHBondContact O-CB 3.4Å; F99-I111 HydrophobicContact CD1-CG2 3.82Å; F99-I111 HydrophobicContact CE1-CG2 4.09Å
112N96.4Very high92.9Very high61 Ų6149.3 Ų49.333%0.32628%0.276SS..EExtended strand (participates in β ladder)trans-104125.7167.6-67.8-35.3000108.7V40 R41 V97 R98V40-N112 WeakPolarHBondContact O-CA 3.43Å; R41-N112 WeakPolarHBondContact CB-OD1 3.48Å; R41-N112 WeakPolarHBondContact CG-OD1 3.27Å; V97-N112 WeakPolarHBondContact CA-O 3.23Å; R98-N112 PolarHBondContact N-O 3.01Å; R98-N112 VanDerWaalsContact N-O 3.08Å; R98-N112 PolarHBondContact O-N 3.08Å
113L95.4Very high92.9Very high2 Ų244 Ų441%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-114.2118.6174.2-178.259.9000108.8N39 V40 L93 R96 V97 L116 Y124N39-L113 WeakPolarHBondContact CA-O 3.42Å; V40-L113 HydrophobicContact CG1-CB 4.1Å; V40-L113 PolarHBondContact N-O 3.15Å; V40-L113 PolarHBondContact O-N 3.4Å; L93-L113 HydrophobicContact CD2-CD1 3.82Å; R96-L113 HydrophobicContact CB-CD1 4.47Å; V97-L113 HydrophobicContact CB-CD1 4.09Å; V97-L113 HydrophobicContact CG2-CD1 4.26Å; L113-L116 HydrophobicContact CB-CD2 4.47Å; L113-L116 HydrophobicContact CD2-CD2 3.5Å; L113-L116 HydrophobicContact CG-CD2 3.7Å; L113-Y124 HydrophobicContact CD2-CE1 4.44Å
114M95.2Very high93Very high81 Ų8141.7 Ų41.740%0.39923%0.226SC..  trans-105.4155.9-171.5-61.1178.2-68.600112.8N39 R96 L116N39-M114 WeakPolarHBondContact OD1-CA 3.32Å; N39-M114 WeakPolarHBondContact OD1-CB 3.07Å; R96-M114 WeakPolarHBondContact CB-O 3.27Å; R96-M114 WeakPolarHBondContact CD-O 3.29Å; R96-M114 PolarHBondContact NH1-O 2.85Å; R96-M114 PolarHBondContact O-N 3.19Å; M114-L116 PolarHBondContact O-N 3.45Å
115N94.4Very high93Very high82 Ų8242.3 Ų42.344%0.43923%0.229SC..SBendtrans48.855.9175.1-178.232.7000112D38 N39 R96 Q117D38-N115 PolarHBondContact O-N 2.52Å; N39-N115 PolarHBondContact OD1-N 3.03Å; R96-N115 PolarHBondContact NH1-O 2.94Å; N115-Q117 PolarHBondContact O-NE2 3.37Å; N115-Q117 PolarHBondContact OD1-NE2 2.79Å
116L94.4Very high93.2Very high0 Ų041 Ų410%022%0.22CC..  trans-53.4137.4-174-72.2166.8000112.2L34 G37 D38 V40 L113 M114 V142L34-L116 HydrophobicContact CB-CD1 3.68Å; L34-L116 HydrophobicContact CD1-CD1 3.52Å; L34-L116 HydrophobicContact CG-CD1 4.18Å; G37-L116 PolarHBondContact N-O 2.83Å; D38-L116 HydrophobicContact CB-CD1 4.18Å; D38-L116 VanDerWaalsContact O-CG 3.27Å; D38-L116 WeakPolarHBondContact O-CG 3.32Å; D38-L116 PolarHBondContact O-N 2.96Å; V40-L116 HydrophobicContact CB-CD1 4.2Å; V40-L116 HydrophobicContact CG1-CD1 3.91Å; V40-L116 HydrophobicContact CG1-CD2 4.15Å; V40-L116 HydrophobicContact CG1-CG 4.44Å; L113-L116 HydrophobicContact CB-CD2 4.47Å; L113-L116 HydrophobicContact CD2-CD2 3.5Å; L113-L116 HydrophobicContact CG-CD2 3.7Å; M114-L116 PolarHBondContact O-N 3.45Å; L116-V142 HydrophobicContact CB-CG1 4.06Å; L116-V142 HydrophobicContact CB-CG2 4.17Å; L116-V142 HydrophobicContact CD2-CG2 4.19Å
117Q93.1Very high93.4Very high58 Ų5835.4 Ų35.427%0.27119%0.193SC..  trans-113.2153.1176.4-58.5-60.9-5900109.7N115 S119 D120 V142N115-Q117 PolarHBondContact O-NE2 3.37Å; N115-Q117 PolarHBondContact OD1-NE2 2.79Å; Q117-S119 PolarHBondContact O-N 2.71Å; Q117-S119 VanDerWaalsContact O-N 3.15Å; Q117-D120 PolarHBondContact N-OD2 3.12Å; Q117-D120 VanDerWaalsContact O-CB 3.27Å; Q117-D120 WeakPolarHBondContact O-CB 3.27Å; Q117-D120 PolarHBondContact O-N 2.98Å; Q117-V142 WeakPolarHBondContact O-CB 3.42Å; Q117-V142 WeakPolarHBondContact O-CG1 3.43Å
118V91.6Very high93.5Very high61 Ų6130 Ų3037%0.3717%0.171SC..G310 helixtrans-56.9-33.5177.2179.60000111.5E36 D120 T121E36-V118 HydrophobicContact CB-CG2 4.49Å; V118-D120 PolarHBondContact O-N 2.69Å; V118-T121 WeakPolarHBondContact O-CB 3.41Å; V118-T121 PolarHBondContact O-N 3.05Å; V118-T121 PolarHBondContact O-OG1 2.7Å
119S90.1Very high93.5Very high103 Ų10331.1 Ų31.172%0.7218%0.175SC*.G310 helixtrans-66.7-14.817559.10000114.7Q117 T121Q117-S119 PolarHBondContact O-N 2.71Å; Q117-S119 VanDerWaalsContact O-N 3.15Å; S119-T121 PolarHBondContact O-N 2.93Å
120D91.2Very high93.3Very high5 Ų533 Ų333%0.02718%0.183CC..G310 helixtrans-80.9-1177.5-58.6-29.3000112.1R96 Q117 V118 A122 Y124 V142R96-D120 IonicContact CZ-OD1 3.45Å; R96-D120 IonicContact CZ-OD2 3.99Å; R96-D120 VanDerWaalsContact CZ-OD2 3.31Å; R96-D120 IonicContact NH1-OD2 3.16Å; R96-D120 PolarHBondContact NH1-OD2 2.96Å; R96-D120 VanDerWaalsContact NH2-CG 3.32Å; R96-D120 IonicContact NH2-OD1 2.94Å; R96-D120 PolarHBondContact NH2-OD1 3.13Å; R96-D120 IonicContact NH2-OD2 3.81Å; R96-D120 PolarHBondContact NH2-OD2 3.07Å; Q117-D120 PolarHBondContact N-OD2 3.12Å; Q117-D120 VanDerWaalsContact O-CB 3.27Å; Q117-D120 WeakPolarHBondContact O-CB 3.27Å; Q117-D120 PolarHBondContact O-N 2.98Å; V118-D120 PolarHBondContact O-N 2.69Å; D120-A122 PolarHBondContact O-N 2.88Å; D120-A122 VanDerWaalsContact O-N 3.1Å; D120-Y124 WeakPolarHBondContact O-CE2 3.41Å; D120-Y124 PolarHBondContact O-OH 2.93Å; D120-V142 HydrophobicContact CB-CG2 4.39Å
121T91.9Very high92.8Very high63 Ų6338 Ų3839%0.38721%0.213SC..  trans-61.2109.5175.4-63.90000110.4V118 S119 V140 T141 V142V118-T121 WeakPolarHBondContact O-CB 3.41Å; V118-T121 PolarHBondContact O-N 3.05Å; V118-T121 PolarHBondContact O-OG1 2.7Å; S119-T121 PolarHBondContact O-N 2.93Å; T121-V140 WeakPolarHBondContact CA-O 3.45Å; T121-T141 HydrophobicContact CG2-CG2 4.45Å; T121-V142 PolarHBondContact OG1-N 3.31Å; T121-V142 PolarHBondContact OG1-O 2.68Å
122A91Very high92.5Very high23 Ų2340.2 Ų40.219%0.1923%0.227CC..EExtended strand (participates in β ladder)trans-162.2168.3-176.600000111Q64 D120 Y124 V140Q64-A122 HydrophobicContact CB-CB 4.44Å; Q64-A122 HydrophobicContact CG-CB 4.03Å; D120-A122 PolarHBondContact O-N 2.88Å; D120-A122 VanDerWaalsContact O-N 3.1Å; A122-Y124 HydrophobicContact CB-CD2 4.38Å; A122-Y124 HydrophobicContact CB-CE2 3.86Å; A122-Y124 WeakPolarHBondContact O-CD2 3.24Å; A122-V140 PolarHBondContact N-O 3.42Å; A122-V140 VanDerWaalsContact N-O 3.11Å; A122-V140 PolarHBondContact O-N 3.1Å
123T91.9Very high92.2Very high20 Ų2042.8 Ų42.812%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-87.8117.3164-57.70000108.6Q64 V65 K137 I139Q64-T123 WeakPolarHBondContact CA-O 3.29Å; V65-T123 HydrophobicContact CB-CG2 4.46Å; V65-T123 PolarHBondContact N-O 3.32Å; T123-K137 HydrophobicContact CG2-CB 4.31Å; T123-I139 HydrophobicContact CG2-CG1 4.28Å
124Y92.3Very high92.1Very high1 Ų143.3 Ų43.30%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-95.4132.2175.9-66.9-97000109.4L42 M63 Q64 F77 L113 D120 A122 K137 V138 V140L42-Y124 HydrophobicContact CD1-CD1 4.38Å; L42-Y124 HydrophobicContact CD1-CD2 4.42Å; L42-Y124 HydrophobicContact CD1-CG 4.03Å; M63-Y124 WeakPolarHBondContact O-CA 3.34Å; Q64-Y124 HydrophobicContact CG-CD1 4.07Å; Q64-Y124 HydrophobicContact CG-CE1 3.72Å; Q64-Y124 PolarHBondContact NE2-OH 3.18Å; F77-Y124 AromaticContact CE1-CD1 3.64Å; F77-Y124 HydrophobicContact CE1-CD1 3.64Å; F77-Y124 AromaticContact CE1-CE1 3.85Å; F77-Y124 HydrophobicContact CE1-CE1 3.85Å; F77-Y124 AromaticContact CZ-CD1 3.74Å; F77-Y124 HydrophobicContact CZ-CD1 3.74Å; F77-Y124 AromaticContact CZ-CE1 3.98Å; F77-Y124 HydrophobicContact CZ-CE1 3.98Å; L113-Y124 HydrophobicContact CD2-CE1 4.44Å; D120-Y124 WeakPolarHBondContact O-CE2 3.41Å; D120-Y124 PolarHBondContact O-OH 2.93Å; A122-Y124 HydrophobicContact CB-CD2 4.38Å; A122-Y124 HydrophobicContact CB-CE2 3.86Å; A122-Y124 WeakPolarHBondContact O-CD2 3.24Å; Y124-K137 CarbonylContact O-C 3.52Å; Y124-K137 WeakPolarHBondContact O-CA 3.43Å; Y124-V138 PolarHBondContact N-O 3.27Å; Y124-V138 PolarHBondContact O-N 3.27Å; Y124-V140 HydrophobicContact CD2-CB 3.79Å; Y124-V140 HydrophobicContact CD2-CG2 3.59Å; Y124-V140 HydrophobicContact CE2-CB 3.74Å; Y124-V140 HydrophobicContact CE2-CG1 4.35Å; Y124-V140 HydrophobicContact CE2-CG2 3.95Å
125E92.9Very high91.9Very high14 Ų1442.8 Ų42.87%0.06525%0.245CC..EExtended strand (participates in β ladder)trans-117.1126176.8-177.4178.6131.600109.6W62 M63 V65 R127 T135 R136 K137W62-E125 WeakPolarHBondContact CA-O 3.15Å; M63-E125 HydrophobicContact CG-CB 3.87Å; M63-E125 PolarHBondContact N-O 2.88Å; M63-E125 PolarHBondContact O-N 3.02Å; M63-E125 HydrophobicContact SD-CB 4.46Å; V65-E125 HydrophobicContact CG2-CB 3.52Å; V65-E125 HydrophobicContact CG2-CG 4.43Å; V65-E125 WeakPolarHBondContact CG2-OE2 3.35Å; E125-R127 IonicContact OE1-CZ 2.83Å; E125-R127 IonicContact OE1-NE 3.68Å; E125-R127 PolarHBondContact OE1-NE 3.13Å; E125-R127 IonicContact OE1-NH2 3.74Å; E125-R127 PolarHBondContact OE1-NH2 2.76Å; E125-T135 HydrophobicContact CG-CG2 4.48Å; E125-T135 WeakPolarHBondContact OE1-CG2 3.49Å; E125-R136 WeakPolarHBondContact CA-O 3.4Å; E125-K137 HydrophobicContact CB-CG 4.24Å; E125-K137 HydrophobicContact CG-CG 4.1Å; E125-K137 WeakPolarHBondContact OE2-CE 3.4Å; E125-K137 IonicContact OE2-NZ 3.14Å
126C94.4Very high91.8Very high0 Ų040.7 Ų40.70%023%0.231CC..EExtended strand (participates in β ladder)trans-91.9128.6165.7-179.40000108.4C44 W62 T135 R136C44-C126 HydrophobicContact CB-CB 3.73Å; C44-C126 WeakPolarHBondContact CB-SG 3.41Å; C44-C126 WeakPolarHBondContact SG-CB 3.49Å; C44-C126 CovalentContact SG-SG 2.03Å; C44-C126 PolarHBondContact SG-SG 2.77Å; W62-C126 HydrophobicContact CD2-CB 4.07Å; W62-C126 HydrophobicContact CE3-CB 4.25Å; W62-C126 HydrophobicContact CH2-CB 3.78Å; W62-C126 HydrophobicContact CZ2-CB 3.57Å; W62-C126 HydrophobicContact CZ3-CB 4.1Å; C126-T135 CarbonylContact O-C 3.5Å; C126-T135 VanDerWaalsContact O-CA 3.23Å; C126-T135 WeakPolarHBondContact O-CA 3.45Å; C126-R136 PolarHBondContact N-O 2.81Å; C126-R136 PolarHBondContact O-N 2.94Å
127R93.8Very high91.6Very high22 Ų2244.6 Ų44.68%0.08325%0.248CC..EExtended strand (participates in β ladder)trans-127.6118.7-179.4-175.4-176.5-59.6-178.5-11108.8I60 E61 M63 E74 E125 K129 M133 T135I60-R127 CarbonylContact C-O 3.43Å; I60-R127 WeakPolarHBondContact CA-O 3.38Å; E61-R127 HydrophobicContact CB-CB 4.34Å; E61-R127 PolarHBondContact N-O 2.82Å; E61-R127 PolarHBondContact O-N 2.96Å; E61-R127 IonicContact OE2-NH1 3.92Å; M63-R127 VanDerWaalsContact CE-NH2 3.34Å; M63-R127 PolarHBondContact SD-NH2 2.83Å; E74-R127 IonicContact OE1-CZ 3.79Å; E74-R127 IonicContact OE1-NH1 3.19Å; E74-R127 PolarHBondContact OE1-NH1 3.48Å; E74-R127 IonicContact OE1-NH2 3.61Å; E74-R127 PolarHBondContact OE1-NH2 2.84Å; E74-R127 IonicContact OE2-CZ 2.72Å; E74-R127 IonicContact OE2-NH1 2.85Å; E74-R127 PolarHBondContact OE2-NH1 3.06Å; E74-R127 IonicContact OE2-NH2 3.77Å; E125-R127 IonicContact OE1-CZ 2.83Å; E125-R127 IonicContact OE1-NE 3.68Å; E125-R127 PolarHBondContact OE1-NE 3.13Å; E125-R127 IonicContact OE1-NH2 3.74Å; E125-R127 PolarHBondContact OE1-NH2 2.76Å; R127-K129 HydrophobicContact CG-CG 4.16Å; R127-M133 HydrophobicContact CG-CG 3.98Å; R127-M133 HydrophobicContact CG-SD 3.7Å; R127-T135 HydrophobicContact CB-CG2 4.14Å; R127-T135 HydrophobicContact CG-CG2 3.89Å
128V94.3Very high91.6Very high0 Ų041.8 Ų41.80%024%0.235CC..EExtended strand (participates in β ladder)trans-113.7119.3177.2-175.10000108V22 I24 Y46 L58 I60 A109 M133 A134V22-V128 HydrophobicContact CG1-CB 4.03Å; V22-V128 HydrophobicContact CG1-CG1 3.79Å; I24-V128 HydrophobicContact CD1-CB 4.46Å; I24-V128 HydrophobicContact CD1-CG2 4.07Å; I24-V128 HydrophobicContact CG1-CG2 4.35Å; Y46-V128 HydrophobicContact CD1-CG1 4.31Å; Y46-V128 HydrophobicContact CD1-CG2 4.16Å; Y46-V128 HydrophobicContact CD2-CG1 3.95Å; Y46-V128 HydrophobicContact CE2-CG1 4.28Å; Y46-V128 HydrophobicContact CG-CG1 3.98Å; Y46-V128 HydrophobicContact CG-CG2 4.25Å; L58-V128 HydrophobicContact CD1-CG1 3.92Å; I60-V128 HydrophobicContact CG1-CG1 4.22Å; I60-V128 HydrophobicContact CG1-CG2 4.34Å; A109-V128 HydrophobicContact CB-CG2 4.16Å; V128-M133 WeakPolarHBondContact O-CA 2.87Å; V128-A134 PolarHBondContact N-O 2.82Å; V128-A134 PolarHBondContact O-N 3.11Å
129K92.3Very high91.7Very high54 Ų5441 Ų4124%0.23523%0.228CC..EExtended strand (participates in β ladder)trans-115.9134.6-178.8-54.4-176.5-153.1135.30110.4D59 E61 R127 M133D59-K129 HydrophobicContact CB-CB 4.12Å; D59-K129 PolarHBondContact N-O 2.9Å; D59-K129 PolarHBondContact O-N 2.75Å; D59-K129 WeakPolarHBondContact OD2-CD 3.43Å; D59-K129 WeakPolarHBondContact OD2-CE 3.34Å; D59-K129 IonicContact OD2-NZ 3.66Å; D59-K129 PolarHBondContact OD2-NZ 3.42Å; E61-K129 IonicContact OE1-NZ 3.74Å; E61-K129 PolarHBondContact OE1-NZ 3.4Å; E61-K129 WeakPolarHBondContact OE2-CE 3.48Å; E61-K129 IonicContact OE2-NZ 2.88Å; E61-K129 PolarHBondContact OE2-NZ 3.28Å; R127-K129 HydrophobicContact CG-CG 4.16Å; K129-M133 HydrophobicContact CD-SD 4.25Å; K129-M133 HydrophobicContact CG-CB 4.28Å; K129-M133 HydrophobicContact CG-CG 3.91Å; K129-M133 HydrophobicContact CG-SD 4.07Å
130K89.4Confident91.9Very high41 Ų4136.1 Ų36.118%0.17819%0.194CC..SBendtrans-143.3-122.7172.2-164.367.1163.8-166.30107.7V22 L48 D52 G54 N56 G57 L58 T132V22-K130 HydrophobicContact CG2-CB 3.48Å; V22-K130 VanDerWaalsContact CG2-CB 3.48Å; L48-K130 HydrophobicContact CD2-CB 4.43Å; L48-K130 HydrophobicContact CD2-CG 4.46Å; D52-K130 HydrophobicContact CB-CG 3.95Å; D52-K130 WeakPolarHBondContact O-CE 3.38Å; D52-K130 VanDerWaalsContact OD2-CG 3.27Å; D52-K130 WeakPolarHBondContact OD2-CG 3.37Å; G54-K130 PolarHBondContact O-NZ 2.87Å; N56-K130 WeakPolarHBondContact O-CE 3.33Å; N56-K130 PolarHBondContact O-NZ 3.01Å; G57-K130 WeakPolarHBondContact O-CD 3.35Å; L58-K130 HydrophobicContact CB-CD 4.31Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 PolarHBondContact N-O 3.02Å
131T87.1Confident92Very high107 Ų10737.4 Ų37.466%0.65620%0.202SC*.SBendtrans-70.2-31.6168.1-56.90000111.3D52D52-T131 WeakPolarHBondContact OD1-CB 3.1Å; D52-T131 PolarHBondContact OD1-OG1 2.81Å; D52-T131 WeakPolarHBondContact OD2-CB 3.07Å; D52-T131 PolarHBondContact OD2-N 2.84Å; D52-T131 PolarHBondContact OD2-OG1 2.71Å; D52-T131 VanDerWaalsContact OD2-OG1 3.14Å
132T89.6Confident92.2Very high46 Ų4634.5 Ų34.528%0.28218%0.184SC..SBendtrans-122.8170.9170.6650000110.5A21 V22 K130A21-T132 HydrophobicContact CB-CG2 3.82Å; A21-T132 WeakPolarHBondContact CB-OG1 3.14Å; A21-T132 PolarHBondContact N-OG1 3.11Å; V22-T132 WeakPolarHBondContact CG2-O 3.44Å; V22-T132 PolarHBondContact N-OG1 3.33Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 PolarHBondContact N-O 3.02Å
133M90.6Very high92.4Very high115 Ų11533.9 Ų33.957%0.56718%0.177SC*.EExtended strand (participates in β ladder)trans-116.2131.5177.9179.2173.973.900110.2R127 V128 K129 T135R127-M133 HydrophobicContact CG-CG 3.98Å; R127-M133 HydrophobicContact CG-SD 3.7Å; V128-M133 WeakPolarHBondContact O-CA 2.87Å; K129-M133 HydrophobicContact CD-SD 4.25Å; K129-M133 HydrophobicContact CG-CB 4.28Å; K129-M133 HydrophobicContact CG-CG 3.91Å; K129-M133 HydrophobicContact CG-SD 4.07Å; M133-T135 HydrophobicContact CG-CG2 4.35Å
134A91.6Very high92.5Very high14 Ų1434 Ų3412%0.11618%0.18CC..EExtended strand (participates in β ladder)trans-118.4143.4169.600000109.9V22 I24 V128V22-A134 HydrophobicContact CB-CB 4.15Å; V22-A134 HydrophobicContact CG1-CB 3.8Å; I24-A134 VanDerWaalsContact CD1-C 3.5Å; I24-A134 HydrophobicContact CD1-CB 3.8Å; I24-A134 WeakPolarHBondContact CD1-O 3.37Å; I24-A134 HydrophobicContact CG1-CB 3.77Å; V128-A134 PolarHBondContact N-O 2.82Å; V128-A134 PolarHBondContact O-N 3.11Å
135T91.8Very high92.5Very high70 Ų7040.4 Ų40.443%0.42920%0.204SC..EExtended strand (participates in β ladder)trans-129.5147.8178.356.20000111.8E125 C126 R127 M133E125-T135 HydrophobicContact CG-CG2 4.48Å; E125-T135 WeakPolarHBondContact OE1-CG2 3.49Å; C126-T135 CarbonylContact O-C 3.5Å; C126-T135 VanDerWaalsContact O-CA 3.23Å; C126-T135 WeakPolarHBondContact O-CA 3.45Å; R127-T135 HydrophobicContact CB-CG2 4.14Å; R127-T135 HydrophobicContact CG-CG2 3.89Å; M133-T135 HydrophobicContact CG-CG2 4.35Å
136R91.6Very high92.5Very high37 Ų3740 Ų4014%0.1420%0.203CC..EExtended strand (participates in β ladder)trans-133.6130.9171.2176.3177.2176.3175.5-5.4109.4I24 N25 E30 G43 E125 C126I24-R136 HydrophobicContact CD1-CB 4.24Å; I24-R136 HydrophobicContact CG2-CB 3.8Å; I24-R136 HydrophobicContact CG2-CG 4.43Å; N25-R136 PolarHBondContact O-NH1 2.85Å; E30-R136 IonicContact OE2-CZ 2.74Å; E30-R136 IonicContact OE2-NH2 3.04Å; E30-R136 PolarHBondContact OE2-NH2 2.89Å; G43-R136 PolarHBondContact O-NE 2.83Å; G43-R136 PolarHBondContact O-NH1 2.96Å; G43-R136 VanDerWaalsContact O-NH1 3.09Å; E125-R136 WeakPolarHBondContact CA-O 3.4Å; C126-R136 PolarHBondContact N-O 2.81Å; C126-R136 PolarHBondContact O-N 2.94Å
137K91.6Very high92.4Very high82 Ų8241.3 Ų41.336%0.35721%0.214SC..EExtended strand (participates in β ladder)trans-107.8135.2179.3-69.5-180174.1179.10110.6Q29 E30 T123 Y124 E125Q29-K137 HydrophobicContact CG-CB 4.29Å; E30-K137 PolarHBondContact N-O 3.41Å; T123-K137 HydrophobicContact CG2-CB 4.31Å; Y124-K137 CarbonylContact O-C 3.52Å; Y124-K137 WeakPolarHBondContact O-CA 3.43Å; E125-K137 HydrophobicContact CB-CG 4.24Å; E125-K137 HydrophobicContact CG-CG 4.1Å; E125-K137 WeakPolarHBondContact OE2-CE 3.4Å; E125-K137 IonicContact OE2-NZ 3.14Å
138V93.3Very high92.3Very high0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-129119.3174.5-173.50000108.3E30 L32 L42 Y124 V140E30-V138 HydrophobicContact CB-CG1 4.3Å; E30-V138 HydrophobicContact CG-CG1 4.44Å; E30-V138 CarbonylContact O-C 3.51Å; E30-V138 WeakPolarHBondContact O-CA 3.37Å; L32-V138 HydrophobicContact CD1-CG1 3.75Å; L32-V138 HydrophobicContact CG-CG1 4.05Å; L42-V138 HydrophobicContact CD2-CG1 4.23Å; Y124-V138 PolarHBondContact N-O 3.27Å; Y124-V138 PolarHBondContact O-N 3.27Å; V138-V140 HydrophobicContact CG1-CG2 4.19Å
139I93.2Very high92.2Very high44 Ų4444.7 Ų44.723%0.22624%0.237CC..EExtended strand (participates in β ladder)trans-83.5115.3172.8-60.9168.9000107.5Q29 E30 V31 L32 T123Q29-I139 HydrophobicContact CG-CD1 3.79Å; Q29-I139 HydrophobicContact CG-CG1 3.95Å; Q29-I139 VanDerWaalsContact NE2-CD1 3.29Å; E30-I139 PolarHBondContact O-N 3.15Å; V31-I139 CarbonylContact C-O 3.52Å; V31-I139 WeakPolarHBondContact CA-O 3.47Å; V31-I139 HydrophobicContact CG1-CB 4.34Å; V31-I139 HydrophobicContact CG1-CG2 4.3Å; V31-I139 HydrophobicContact CG2-CB 4.22Å; V31-I139 HydrophobicContact CG2-CD1 4.01Å; L32-I139 PolarHBondContact N-O 2.87Å; T123-I139 HydrophobicContact CG2-CG1 4.28Å
140V94Very high92.2Very high0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-104.1119.6176.1176.10000108.4L34 L42 T121 A122 Y124 V138 V142L34-V140 HydrophobicContact CD1-CG1 3.82Å; L42-V140 HydrophobicContact CD1-CG2 4.2Å; L42-V140 HydrophobicContact CD2-CG2 3.92Å; T121-V140 WeakPolarHBondContact CA-O 3.45Å; A122-V140 PolarHBondContact N-O 3.42Å; A122-V140 VanDerWaalsContact N-O 3.11Å; A122-V140 PolarHBondContact O-N 3.1Å; Y124-V140 HydrophobicContact CD2-CB 3.79Å; Y124-V140 HydrophobicContact CD2-CG2 3.59Å; Y124-V140 HydrophobicContact CE2-CB 3.74Å; Y124-V140 HydrophobicContact CE2-CG1 4.35Å; Y124-V140 HydrophobicContact CE2-CG2 3.95Å; V138-V140 HydrophobicContact CG1-CG2 4.19Å; V140-V142 HydrophobicContact CG1-CG2 3.95Å
141T94.1Very high92.3Very high32 Ų3247.2 Ų47.220%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-112.4108.7174.2-54.50000109.1L32 Y33 L34 T121 Q143L32-T141 PolarHBondContact O-N 3.08Å; Y33-T141 WeakPolarHBondContact CA-O 3.4Å; Y33-T141 HydrophobicContact CD1-CG2 3.99Å; Y33-T141 HydrophobicContact CE1-CG2 4.02Å; L34-T141 PolarHBondContact N-O 2.93Å; T121-T141 HydrophobicContact CG2-CG2 4.45Å; T141-Q143 HydrophobicContact CG2-CG 4.13Å
142V95.1Very high92.6Very high3 Ų347.3 Ų47.32%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-93.5127.2178.1-173.80000109.2L34 E36 L116 Q117 D120 T121 V140L34-V142 CarbonylContact O-C 3.54Å; L34-V142 WeakPolarHBondContact O-CA 3.33Å; E36-V142 HydrophobicContact CB-CG1 4.44Å; L116-V142 HydrophobicContact CB-CG1 4.06Å; L116-V142 HydrophobicContact CB-CG2 4.17Å; L116-V142 HydrophobicContact CD2-CG2 4.19Å; Q117-V142 WeakPolarHBondContact O-CB 3.42Å; Q117-V142 WeakPolarHBondContact O-CG1 3.43Å; D120-V142 HydrophobicContact CB-CG2 4.39Å; T121-V142 PolarHBondContact OG1-N 3.31Å; T121-V142 PolarHBondContact OG1-O 2.68Å; V140-V142 HydrophobicContact CG1-CG2 3.95Å
143Q94.4Very high92.8Very high9 Ų947.2 Ų47.24%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-125.1142.1-176.8-68.7-173.318.700111.4Y33 L34 A35 E36 T141 S173 V245Y33-Q143 VanDerWaalsContact CD1-NE2 3.31Å; L34-Q143 PolarHBondContact O-N 2.85Å; A35-Q143 CarbonylContact C-O 3.59Å; A35-Q143 WeakPolarHBondContact CA-O 3.49Å; E36-Q143 PolarHBondContact N-O 3.43Å; T141-Q143 HydrophobicContact CG2-CG 4.13Å; Q143-S173 WeakPolarHBondContact CA-OG 3.47Å; Q143-V245 HydrophobicContact CB-CB 4.41Å; Q143-V245 HydrophobicContact CB-CG1 3.88Å; Q143-V245 HydrophobicContact CB-CG2 3.61Å; Q143-V245 HydrophobicContact CG-CG1 4.49Å
144A94.4Very high92.9Very high23 Ų2345.8 Ų45.819%0.1923%0.234CC..PPolyproline II helixtrans-78.3134.4165.500000109.1S173 N243A144-S173 PolarHBondContact N-OG 2.93Å; A144-S173 PolarHBondContact O-N 3.35Å; A144-N243 PolarHBondContact O-ND2 3.03Å
145R92.1Very high92.8Very high136 Ų13647.6 Ų47.651%0.51326%0.255SS..PPolyproline II helixtrans-60.1151.7173.3-66.8178.1-170.7-102-5.9110A35 A147 G172 V245A35-R145 HydrophobicContact CB-CG 4.39Å; R145-A147 PolarHBondContact O-N 3.39Å; R145-G172 WeakPolarHBondContact O-CA 3.48Å; R145-V245 HydrophobicContact CG-CG2 4.14Å; R145-V245 VanDerWaalsContact CZ-O 3.31Å; R145-V245 PolarHBondContact NH1-O 3.21Å
146P92.9Very high92.7Very high4 Ų451.3 Ų51.33%0.02627%0.266CS..PPolyproline II helixtrans-56.8135.7177.1-23.435.4000110.7L176 V241 N243 S248P146-L176 HydrophobicContact CB-CD2 4.09Å; P146-L176 HydrophobicContact CG-CD2 3.92Å; P146-V241 HydrophobicContact CB-CB 4.4Å; P146-V241 HydrophobicContact CB-CG1 4.1Å; P146-N243 HydrophobicContact CG-CB 4.32Å; P146-S248 WeakPolarHBondContact O-CB 3.49Å; P146-S248 PolarHBondContact O-OG 3.19Å
147A92.4Very high92.7Very high28 Ų2852.7 Ų52.723%0.23128%0.275CS..PPolyproline II helixtrans-63.2157.917200000110.4R145 P149 N170 G171 S248R145-A147 PolarHBondContact O-N 3.39Å; A147-P149 VanDerWaalsContact O-CD 3.27Å; A147-P149 WeakPolarHBondContact O-CD 3.19Å; A147-P149 VanDerWaalsContact O-N 3.11Å; A147-N170 WeakPolarHBondContact CB-OD1 3.14Å; A147-G171 PolarHBondContact N-O 3.46Å; A147-S248 WeakPolarHBondContact O-CB 3.29Å
148V91.8Very high92.7Very high86 Ų8650.4 Ų50.452%0.52127%0.269SS..PPolyproline II helixtrans-59.2117.5175.2179.20000108.7A192V148-A192 HydrophobicContact CG2-CB 4.43Å
149P92.4Very high92.6Very high7 Ų755.2 Ų55.25%0.04529%0.291CS..PPolyproline II helixtrans-72.8149.4-173.226.7-31.5000111.9A147 Y168 A169 V241 C250A147-P149 VanDerWaalsContact O-CD 3.27Å; A147-P149 WeakPolarHBondContact O-CD 3.19Å; A147-P149 VanDerWaalsContact O-N 3.11Å; P149-Y168 CarbonylContact C-O 3.57Å; P149-Y168 VanDerWaalsContact CA-O 3.3Å; P149-Y168 WeakPolarHBondContact CA-O 3.34Å; P149-A169 HydrophobicContact CB-CB 4.3Å; P149-V241 HydrophobicContact CB-CG2 3.81Å; P149-V241 HydrophobicContact CG-CG2 3.85Å; P149-C250 HydrophobicContact CG-CB 3.9Å; P149-C250 WeakPolarHBondContact O-CB 3.31Å
150M92.1Very high92.4Very high117 Ų11754.9 Ų54.958%0.57630%0.298SS*.EExtended strand (participates in β ladder)trans-91.3131.3170.3-65-179.565.200109.5W152 C167 Y168M150-W152 HydrophobicContact CB-CZ3 4.3Å; M150-W152 WeakPolarHBondContact O-CZ3 3.41Å; M150-C167 WeakPolarHBondContact O-CA 3.35Å; M150-Y168 PolarHBondContact N-O 3.19Å; M150-Y168 PolarHBondContact O-N 2.82Å
151C92.7Very high92.2Very high31 Ų3157.6 Ų57.621%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-136.5137.8-175.6-570000112K166 C167 W180 C250 V252C151-K166 WeakPolarHBondContact CA-O 3.36Å; C151-K166 WeakPolarHBondContact CB-O 3.35Å; C151-C167 PolarHBondContact SG-SG 2.63Å; C151-W180 HydrophobicContact CB-CH2 4.39Å; C151-C250 HydrophobicContact CB-CB 3.74Å; C151-C250 WeakPolarHBondContact CB-SG 3.24Å; C151-C250 WeakPolarHBondContact SG-CB 3.21Å; C151-C250 CovalentContact SG-SG 1.97Å; C151-C250 PolarHBondContact SG-SG 2.98Å; C151-V252 HydrophobicContact CB-CG1 3.54Å
152W93.3Very high92.1Very high110 Ų11060.4 Ų60.442%0.41733%0.326SS..EExtended strand (participates in β ladder)trans-152.4172.4-176.56797.3000110.7M150 E154 K166M150-W152 HydrophobicContact CB-CZ3 4.3Å; M150-W152 WeakPolarHBondContact O-CZ3 3.41Å; W152-E154 PolarHBondContact NE1-OE1 3.13Å; W152-K166 HydrophobicContact CD2-CB 3.59Å; W152-K166 HydrophobicContact CD2-CG 4.31Å; W152-K166 HydrophobicContact CE3-CB 4.03Å; W152-K166 HydrophobicContact CG-CB 4.1Å; W152-K166 HydrophobicContact CH2-CB 3.92Å; W152-K166 HydrophobicContact CZ2-CB 3.48Å; W152-K166 VanDerWaalsContact CZ2-CB 3.48Å; W152-K166 HydrophobicContact CZ2-CG 3.83Å; W152-K166 HydrophobicContact CZ3-CB 4.17Å; W152-K166 PolarHBondContact N-O 3.05Å; W152-K166 VanDerWaalsContact N-O 3.17Å; W152-K166 PolarHBondContact O-N 3.09Å
153T93.3Very high91.9Very high43 Ų4360.3 Ų60.326%0.26433%0.326SS..EExtended strand (participates in β ladder)trans-115.1138.6179.661.10000110.4V164 L165 V252T153-V164 CarbonylContact C-O 3.54Å; T153-V164 WeakPolarHBondContact CA-O 3.37Å; T153-L165 HydrophobicContact CG2-CD2 3.65Å; T153-V252 HydrophobicContact CG2-CB 4.27Å; T153-V252 HydrophobicContact CG2-CG2 4.39Å
154E92.8Very high91.8Very high85 Ų8561.7 Ų61.740%0.39733%0.334SS..EExtended strand (participates in β ladder)trans-119.3132.8174.2-68.6179.1-174.300110.3W152 V163 V164 K166W152-E154 PolarHBondContact NE1-OE1 3.13Å; E154-V163 WeakPolarHBondContact O-CG1 3.34Å; E154-V164 HydrophobicContact CB-CB 4.45Å; E154-V164 PolarHBondContact N-O 3.09Å; E154-V164 PolarHBondContact O-N 3.01Å; E154-K166 HydrophobicContact CG-CG 4.06Å; E154-K166 WeakPolarHBondContact OE1-CE 3.3Å; E154-K166 WeakPolarHBondContact OE2-CE 3.46Å; E154-K166 IonicContact OE2-NZ 2.98Å
155G89.5Confident91.6Very high53 Ų5360.6 Ų60.655%0.54633%0.325SS..SBendtrans110.5169.7-175.900000113.2
156H90.3Very high91.6Very high147 Ų14756 Ų5668%0.68131%0.309SS*.  trans-88.9119.3179.7-73.5-75.6000110.4T158 N161H156-T158 PolarHBondContact O-N 2.99Å; H156-N161 WeakPolarHBondContact CB-ND2 3.25Å; H156-N161 WeakPolarHBondContact O-CB 3.24Å; H156-N161 PolarHBondContact O-ND2 3.45Å
157M90.6Very high91.5Very high66 Ų6656 Ų5633%0.32531%0.309SS..  trans-72.657.1176-64.8-176.7-89.500112.1K255 S257M157-K255 WeakPolarHBondContact CB-O 3.38Å; M157-S257 WeakPolarHBondContact O-CB 3.18Å; M157-S257 PolarHBondContact O-N 2.96Å
158T91.2Very high91.4Very high35 Ų3560.7 Ų60.722%0.21532%0.322CS..BIsolated β-bridgetrans-114.4144.9173.153.40000110.6H156 G160 N161 I229 S257H156-T158 PolarHBondContact O-N 2.99Å; T158-G160 PolarHBondContact O-N 3.06Å; T158-N161 WeakPolarHBondContact O-CB 3.3Å; T158-N161 PolarHBondContact O-N 3.27Å; T158-N161 VanDerWaalsContact O-N 3.12Å; T158-N161 PolarHBondContact OG1-ND2 3.21Å; T158-I229 WeakPolarHBondContact O-CG1 3.47Å; T158-S257 CarbonylContact C-O 3.59Å; T158-S257 VanDerWaalsContact CA-O 3.27Å; T158-S257 WeakPolarHBondContact CA-O 3.35Å
159H91.8Very high91.3Very high101 Ų10156.8 Ų56.847%0.46830%0.299SS..THydrogen-bonded Turntrans-49.5129.7179.6-173.8-61.8000111.2I229 V256 S257H159-I229 CarbonylContact C-O 3.55Å; H159-I229 VanDerWaalsContact CA-O 3.29Å; H159-I229 WeakPolarHBondContact CA-O 3.19Å; H159-V256 HydrophobicContact CB-CG1 4.19Å; H159-S257 PolarHBondContact N-O 3.5Å
160G88.9Confident91.2Very high36 Ų3661.7 Ų61.737%0.37133%0.325SS..THydrogen-bonded Turntrans94.7-7.7179.700000115.8T158 D228 I229T158-G160 PolarHBondContact O-N 3.06Å; G160-D228 VanDerWaalsContact CA-OD1 3.28Å; G160-D228 WeakPolarHBondContact CA-OD1 3.43Å; G160-I229 PolarHBondContact N-O 2.76Å
161N90.3Very high91.2Very high57 Ų5757.4 Ų57.431%0.30531%0.31SS..  trans-90.9161.7-179.6-73.70.9000112.8H156 T158 D228 I229H156-N161 WeakPolarHBondContact CB-ND2 3.25Å; H156-N161 WeakPolarHBondContact O-CB 3.24Å; H156-N161 PolarHBondContact O-ND2 3.45Å; T158-N161 WeakPolarHBondContact O-CB 3.3Å; T158-N161 PolarHBondContact O-N 3.27Å; T158-N161 VanDerWaalsContact O-N 3.12Å; T158-N161 PolarHBondContact OG1-ND2 3.21Å; N161-D228 PolarHBondContact O-N 2.83Å; N161-I229 WeakPolarHBondContact O-CG1 3.45Å; N161-I229 PolarHBondContact O-N 2.8Å
162D91Very high91.1Very high92 Ų9257.4 Ų57.449%0.49232%0.315SS..  trans-93.2135.1165.8-65.9-2.5000109.6L226 K227 D228D162-L226 CarbonylContact C-O 3.57Å; D162-L226 WeakPolarHBondContact CA-O 3.05Å; D162-K227 WeakPolarHBondContact OD1-CA 3.48Å; D162-D228 PolarHBondContact OD1-N 2.87Å
163V91.2Very high91.1Very high1 Ų153.4 Ų53.41%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-129.8141.9178.7170.40000109.2E154 L165 L226 I229E154-V163 WeakPolarHBondContact O-CG1 3.34Å; V163-L165 HydrophobicContact CG1-CD2 4.23Å; V163-L226 PolarHBondContact N-O 3.33Å; V163-L226 PolarHBondContact O-N 2.82Å; V163-I229 HydrophobicContact CB-CD1 4.44Å; V163-I229 HydrophobicContact CG2-CD1 3.61Å
164V92.2Very high91Very high37 Ų3757.8 Ų57.822%0.22432%0.322CS..EExtended strand (participates in β ladder)trans-110.7124.7178.2-172.40000109.5T153 E154 K166 D223 L224 V225T153-V164 CarbonylContact C-O 3.54Å; T153-V164 WeakPolarHBondContact CA-O 3.37Å; E154-V164 HydrophobicContact CB-CB 4.45Å; E154-V164 PolarHBondContact N-O 3.09Å; E154-V164 PolarHBondContact O-N 3.01Å; V164-K166 HydrophobicContact CG1-CD 4.03Å; V164-D223 HydrophobicContact CG1-CB 4.12Å; V164-L224 CarbonylContact C-O 3.6Å; V164-L224 WeakPolarHBondContact CA-O 3.01Å; V164-V225 HydrophobicContact CG1-CG2 4.43Å; V164-V225 HydrophobicContact CG2-CG2 4.24Å
165L91.9Very high90.9Very high0 Ų057.9 Ų57.90%033%0.33CS..EExtended strand (participates in β ladder)trans-90.7126.7168.5-40.5-177.2000108.5T153 V163 W180 D223 L224 L226 Y237 V252 V254T153-L165 HydrophobicContact CG2-CD2 3.65Å; V163-L165 HydrophobicContact CG1-CD2 4.23Å; L165-W180 HydrophobicContact CB-CH2 3.71Å; L165-W180 HydrophobicContact CB-CZ2 3.72Å; L165-W180 HydrophobicContact CB-CZ3 4.23Å; L165-W180 HydrophobicContact CD1-CE3 4.31Å; L165-W180 HydrophobicContact CD1-CH2 4.45Å; L165-W180 HydrophobicContact CD1-CZ3 4.14Å; L165-D223 WeakPolarHBondContact O-CA 3.27Å; L165-L224 HydrophobicContact CB-CB 4.02Å; L165-L224 HydrophobicContact CD1-CB 4.35Å; L165-L224 HydrophobicContact CD1-CD2 3.73Å; L165-L224 HydrophobicContact CG-CB 4.26Å; L165-L224 HydrophobicContact CG-CD2 4.42Å; L165-L224 PolarHBondContact N-O 3.43Å; L165-L224 PolarHBondContact O-N 3.14Å; L165-L226 HydrophobicContact CD1-CD1 4.2Å; L165-L226 HydrophobicContact CD2-CD1 4.29Å; L165-L226 HydrophobicContact CG-CD1 4.33Å; L165-L226 HydrophobicContact CG-CG 4.49Å; L165-Y237 HydrophobicContact CD1-CD1 3.64Å; L165-Y237 HydrophobicContact CD1-CD2 4.26Å; L165-Y237 HydrophobicContact CD1-CE1 4.33Å; L165-Y237 HydrophobicContact CD1-CG 3.59Å; L165-V252 HydrophobicContact CB-CG2 4.44Å; L165-V252 HydrophobicContact CD1-CG2 4.01Å; L165-V252 HydrophobicContact CD2-CG2 4.23Å; L165-V252 HydrophobicContact CG-CG2 4.47Å; L165-V254 HydrophobicContact CD1-CG2 4.38Å; L165-V254 HydrophobicContact CD2-CG2 3.8Å
166K91.3Very high90.9Very high39 Ų3956.7 Ų56.717%0.1731%0.31CS..EExtended strand (participates in β ladder)trans-105.8142.6-178.1-63.7-66.5-164.9168.20110.2C151 W152 E154 V164 D223C151-K166 WeakPolarHBondContact CA-O 3.36Å; C151-K166 WeakPolarHBondContact CB-O 3.35Å; W152-K166 HydrophobicContact CD2-CB 3.59Å; W152-K166 HydrophobicContact CD2-CG 4.31Å; W152-K166 HydrophobicContact CE3-CB 4.03Å; W152-K166 HydrophobicContact CG-CB 4.1Å; W152-K166 HydrophobicContact CH2-CB 3.92Å; W152-K166 HydrophobicContact CZ2-CB 3.48Å; W152-K166 VanDerWaalsContact CZ2-CB 3.48Å; W152-K166 HydrophobicContact CZ2-CG 3.83Å; W152-K166 HydrophobicContact CZ3-CB 4.17Å; W152-K166 PolarHBondContact N-O 3.05Å; W152-K166 VanDerWaalsContact N-O 3.17Å; W152-K166 PolarHBondContact O-N 3.09Å; E154-K166 HydrophobicContact CG-CG 4.06Å; E154-K166 WeakPolarHBondContact OE1-CE 3.3Å; E154-K166 WeakPolarHBondContact OE2-CE 3.46Å; E154-K166 IonicContact OE2-NZ 2.98Å; V164-K166 HydrophobicContact CG1-CD 4.03Å; K166-D223 HydrophobicContact CD-CB 4.43Å; K166-D223 WeakPolarHBondContact CD-OD1 3Å; K166-D223 WeakPolarHBondContact CD-OD2 2.97Å; K166-D223 IonicContact NZ-OD1 2.65Å; K166-D223 IonicContact NZ-OD2 3.74Å; K166-D223 PolarHBondContact NZ-OD2 2.86Å
167C90.6Very high90.8Very high5 Ų552.4 Ų52.43%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-144.2127177.1177.40000110.4M150 C151 Y178 W180 C239M150-C167 WeakPolarHBondContact O-CA 3.35Å; C151-C167 PolarHBondContact SG-SG 2.63Å; C167-Y178 HydrophobicContact CB-CD1 4.34Å; C167-Y178 WeakPolarHBondContact O-CE1 3.46Å; C167-W180 HydrophobicContact CB-CH2 4.2Å; C167-W180 HydrophobicContact CB-CZ2 3.46Å; C167-W180 VanDerWaalsContact CB-CZ2 3.46Å; C167-C239 HydrophobicContact CB-CB 3.56Å; C167-C239 WeakPolarHBondContact CB-SG 3.46Å; C167-C239 WeakPolarHBondContact SG-CB 3.42Å; C167-C239 CovalentContact SG-SG 2.04Å; C167-C239 PolarHBondContact SG-SG 3.03Å
168Y90.8Very high90.8Very high127 Ų12751.4 Ų51.450%0.49829%0.29SS..EExtended strand (participates in β ladder)trans-143.3126.5-177.7176.5-106.4000111.9P149 M150 N170P149-Y168 CarbonylContact C-O 3.57Å; P149-Y168 VanDerWaalsContact CA-O 3.3Å; P149-Y168 WeakPolarHBondContact CA-O 3.34Å; M150-Y168 PolarHBondContact N-O 3.19Å; M150-Y168 PolarHBondContact O-N 2.82Å; Y168-N170 HydrophobicContact CD1-CB 4.48Å; Y168-N170 HydrophobicContact CE1-CB 3.82Å
169A90.4Very high90.6Very high4 Ų456.4 Ų56.43%0.03331%0.309CS..  trans-97.3125.5169.400000110.3P149 G171 L176 Y178 V241P149-A169 HydrophobicContact CB-CB 4.3Å; A169-G171 VanDerWaalsContact C-N 3.29Å; A169-G171 PolarHBondContact O-N 3.31Å; A169-L176 HydrophobicContact CB-CD1 4.33Å; A169-Y178 PolarHBondContact N-OH 3.12Å; A169-V241 HydrophobicContact CB-CB 4.48Å; A169-V241 HydrophobicContact CB-CG1 3.98Å; A169-V241 HydrophobicContact CB-CG2 4.45Å
170N89.7Confident90.5Very high110 Ų11053.6 Ų53.659%0.58829%0.294SS*.SBendtrans-87.28.9-179.269.1-16.4000114A147 Y168A147-N170 WeakPolarHBondContact CB-OD1 3.14Å; Y168-N170 HydrophobicContact CD1-CB 4.48Å; Y168-N170 HydrophobicContact CE1-CB 3.82Å
171G90.9Very high90.3Very high26 Ų2653.9 Ų53.927%0.26829%0.293SS..  trans-168.1168.7-177.600000112.8A147 A169A147-G171 PolarHBondContact N-O 3.46Å; A169-G171 VanDerWaalsContact C-N 3.29Å; A169-G171 PolarHBondContact O-N 3.31Å
172G91.4Very high90.2Very high31 Ų3155.1 Ų55.132%0.3230%0.296SS..SBendtrans110.5157.3-172.800000112.6R145R145-G172 WeakPolarHBondContact O-CA 3.48Å
173S93.2Very high89.8Confident26 Ų2652.4 Ų52.418%0.18228%0.281CS..PPolyproline II helixtrans-78.4141.2177.9-61.80000111.4Q143 A144 L176 N243Q143-S173 WeakPolarHBondContact CA-OG 3.47Å; A144-S173 PolarHBondContact N-OG 2.93Å; A144-S173 PolarHBondContact O-N 3.35Å; S173-L176 WeakPolarHBondContact O-CD2 3.49Å; S173-N243 PolarHBondContact O-ND2 2.72Å; S173-N243 VanDerWaalsContact O-ND2 3.12Å
174Q90.3Very high88.8Confident136 Ų13657.2 Ų57.264%0.63632%0.315SS*.SBendtrans-72.5154.4174.4-64.6-62-28.200111.5
175P91.8Very high87.2Confident87 Ų8758.6 Ų58.657%0.56534%0.336SS*.PPolyproline II helixcis-82.3133.9-0.432.1-33.3000112.8
176L88.8Confident85.3Confident27 Ų2767.2 Ų67.214%0.14138%0.376CS..PPolyproline II helixtrans-89.4128.3172.8-62179.1000110.8P146 A169 S173 Y178 V241 N243P146-L176 HydrophobicContact CB-CD2 4.09Å; P146-L176 HydrophobicContact CG-CD2 3.92Å; A169-L176 HydrophobicContact CB-CD1 4.33Å; S173-L176 WeakPolarHBondContact O-CD2 3.49Å; L176-Y178 HydrophobicContact CB-CE2 3.86Å; L176-V241 HydrophobicContact CB-CG1 4.21Å; L176-V241 HydrophobicContact CD2-CG1 4.33Å; L176-N243 HydrophobicContact CD2-CB 4.28Å
177S89.4Confident83.4Confident57 Ų5772.6 Ų72.640%0.39940%0.401SS..EExtended strand (participates in β ladder)trans-109.5135.2175.165.60000110.6V241 A242S177-V241 CarbonylContact O-C 3.6Å; S177-V241 VanDerWaalsContact O-CA 3.25Å; S177-V241 WeakPolarHBondContact O-CA 3.35Å; S177-A242 PolarHBondContact N-O 3.32Å; S177-A242 PolarHBondContact O-N 2.75Å; S177-A242 PolarHBondContact OG-O 2.85Å
178Y89.1Confident81.6Confident45 Ų4581 Ų8118%0.17643%0.434CS..EExtended strand (participates in β ladder)trans-115.8132.1-176.2-67.9-105.9000110.1C167 A169 L176 G222 T240 V241C167-Y178 HydrophobicContact CB-CD1 4.34Å; C167-Y178 WeakPolarHBondContact O-CE1 3.46Å; A169-Y178 PolarHBondContact N-OH 3.12Å; L176-Y178 HydrophobicContact CB-CE2 3.86Å; Y178-G222 VanDerWaalsContact CB-CA 3.43Å; Y178-T240 CarbonylContact C-O 3.51Å; Y178-T240 WeakPolarHBondContact CA-O 3.37Å; Y178-V241 HydrophobicContact CD1-CB 4.39Å; Y178-V241 HydrophobicContact CD1-CG1 4.25Å; Y178-V241 HydrophobicContact CD1-CG2 3.4Å; Y178-V241 VanDerWaalsContact CD1-CG2 3.4Å; Y178-V241 HydrophobicContact CD2-CG1 4.45Å; Y178-V241 HydrophobicContact CE1-CB 4.28Å; Y178-V241 HydrophobicContact CE1-CG1 3.9Å; Y178-V241 HydrophobicContact CE1-CG2 3.35Å; Y178-V241 HydrophobicContact CE2-CG1 4.12Å; Y178-V241 HydrophobicContact CG-CG1 4.49Å; Y178-V241 HydrophobicContact CG-CG2 4.21Å
179K88Confident79.7Confident141 Ų14176.7 Ų76.761%0.61342%0.421SS*.EExtended strand (participates in β ladder)trans-137.8135.8178.6-66.4-176.4-179.9179.20110.8C239 T240K179-C239 CarbonylContact O-C 3.54Å; K179-C239 WeakPolarHBondContact O-CA 3.31Å; K179-T240 PolarHBondContact N-O 2.94Å; K179-T240 PolarHBondContact O-N 3.38Å
180W88.8Confident77.6Confident42 Ų4286.7 Ų86.716%0.15946%0.459CS..EExtended strand (participates in β ladder)trans-106.8145.4175.5-76.495.3000112C151 L165 C167 G222 L224 Q238 C239 V252C151-W180 HydrophobicContact CB-CH2 4.39Å; L165-W180 HydrophobicContact CB-CH2 3.71Å; L165-W180 HydrophobicContact CB-CZ2 3.72Å; L165-W180 HydrophobicContact CB-CZ3 4.23Å; L165-W180 HydrophobicContact CD1-CE3 4.31Å; L165-W180 HydrophobicContact CD1-CH2 4.45Å; L165-W180 HydrophobicContact CD1-CZ3 4.14Å; C167-W180 HydrophobicContact CB-CH2 4.2Å; C167-W180 HydrophobicContact CB-CZ2 3.46Å; C167-W180 VanDerWaalsContact CB-CZ2 3.46Å; W180-G222 PolarHBondContact NE1-O 3.37Å; W180-L224 HydrophobicContact CB-CB 4.42Å; W180-L224 HydrophobicContact CB-CD1 3.76Å; W180-L224 HydrophobicContact CB-CD2 3.87Å; W180-L224 HydrophobicContact CB-CG 4.24Å; W180-L224 HydrophobicContact CD2-CB 4.06Å; W180-L224 HydrophobicContact CD2-CD2 4.28Å; W180-L224 HydrophobicContact CG-CB 3.82Å; W180-L224 HydrophobicContact CG-CD1 3.99Å; W180-L224 HydrophobicContact CG-CD2 4.02Å; W180-L224 HydrophobicContact CG-CG 4.17Å; W180-Q238 CarbonylContact C-O 3.59Å; W180-Q238 WeakPolarHBondContact CA-O 3.33Å; W180-Q238 VanDerWaalsContact CE3-C 3.44Å; W180-C239 HydrophobicContact CD2-CB 3.72Å; W180-C239 HydrophobicContact CE3-CB 3.72Å; W180-C239 HydrophobicContact CG-CB 4.49Å; W180-C239 HydrophobicContact CH2-CB 3.7Å; W180-C239 HydrophobicContact CZ2-CB 3.71Å; W180-C239 HydrophobicContact CZ3-CB 3.69Å; W180-V252 HydrophobicContact CH2-CG2 4.03Å; W180-V252 HydrophobicContact CZ3-CG2 3.87Å
181A85.7Confident75.4Confident42 Ų4292.4 Ų92.435%0.34747%0.473SS..EExtended strand (participates in β ladder)trans-142.2139.2171.300000110.4Y237 Q238A181-Y237 CarbonylContact O-C 3.59Å; A181-Y237 WeakPolarHBondContact O-CA 3.49Å; A181-Q238 PolarHBondContact N-O 2.9Å; A181-Q238 PolarHBondContact O-N 2.79Å
182K87.3Confident73.3Confident82 Ų8294 Ų9436%0.35748%0.483SS..EExtended strand (participates in β ladder)trans-81.5126.8167.8-172.9176.7-178.2161.70108.5S184 A232 D233 D234 Y237K182-S184 PolarHBondContact O-N 3.2Å; K182-A232 PolarHBondContact NZ-O 3Å; K182-D233 VanDerWaalsContact NZ-CA 3.27Å; K182-D233 PolarHBondContact NZ-O 2.89Å; K182-D234 VanDerWaalsContact CE-O 3.31Å; K182-D234 WeakPolarHBondContact CE-O 3.47Å; K182-D234 PolarHBondContact NZ-O 3.41Å; K182-Y237 HydrophobicContact CB-CD1 4.09Å; K182-Y237 HydrophobicContact CB-CE1 3.9Å; K182-Y237 HydrophobicContact CD-CE1 4.16Å; K182-Y237 HydrophobicContact CD-CE2 4.2Å; K182-Y237 HydrophobicContact CG-CD1 4.39Å; K182-Y237 HydrophobicContact CG-CE1 4.05Å; K182-Y237 HydrophobicContact CG-CE2 4.16Å
183I84.2Confident70.7Confident35 Ų3595.9 Ų95.918%0.17950%0.503CS..EExtended strand (participates in β ladder)trans-78119179-60.9154.9000108.1H187 P189 L236 Q238 V251I183-H187 WeakPolarHBondContact CG2-O 3.32Å; I183-P189 HydrophobicContact CD1-CG 3.69Å; I183-L236 HydrophobicContact CB-CB 4.23Å; I183-L236 WeakPolarHBondContact CB-O 3.43Å; I183-L236 HydrophobicContact CD1-CB 3.65Å; I183-L236 HydrophobicContact CG1-CB 4.48Å; I183-L236 PolarHBondContact N-O 3.35Å; I183-Q238 HydrophobicContact CD1-CB 4.02Å; I183-Q238 HydrophobicContact CG1-CB 4.17Å; I183-V251 HydrophobicContact CD1-CG1 4.01Å; I183-V251 HydrophobicContact CD1-CG2 4.33Å
184S70.3Confident68.1Low103 Ų10399.1 Ų99.172%0.7253%0.526SS*.  trans-112.8131.3177.654.50000110.9K182K182-S184 PolarHBondContact O-N 3.2Å
185G58.4Low65.9Low65 Ų65101.1 Ų101.167%0.6753%0.529SS*.SBendtrans75.9178.4177.500000115.1H187G185-H187 PolarHBondContact O-N 2.79Å
186H50.3Low63.4Low182 Ų182103.4 Ų103.484%0.84354%0.541SS*.SBendtrans-57.413.6-171.9-76.7-79.5000117.3Y188H186-Y188 PolarHBondContact O-N 3.28Å
187H52.5Low61.3Low152 Ų152106.5 Ų106.570%0.70457%0.565SS**  trans-9284.6-178.8-65.8-118.7000108.4I183 G185I183-H187 WeakPolarHBondContact CG2-O 3.32Å; G185-H187 PolarHBondContact O-N 2.79Å
188Y52.3Low58.8Low182 Ų182109.4 Ų109.471%0.71457%0.572SS**  trans-65.1130.1167.8-69.4-82000108.8H186 Y190H186-Y188 PolarHBondContact O-N 3.28Å; Y188-Y190 PolarHBondContact O-N 3.24Å
189P50.4Low56.4Low36 Ų36116.9 Ų116.923%0.23461%0.609CS.*  trans-64.3124.6172.828.8-35.3000108.6I183 R191 V251I183-P189 HydrophobicContact CD1-CG 3.69Å; P189-R191 PolarHBondContact O-N 3.34Å; P189-V251 HydrophobicContact CB-CG2 4.4Å; P189-V251 HydrophobicContact CG-CG2 3.57Å
190Y47.9Very low54.1Low213 Ų213114.2 Ų114.284%0.83561%0.608SS**  trans-53.6114.9174.6-69.5-85.6000108.4Y188 A192Y188-Y190 PolarHBondContact O-N 3.24Å; Y190-A192 PolarHBondContact O-N 3.18Å
191R42.5Very low51.4Low231 Ų231121.7 Ų121.787%0.87264%0.637SS**  trans-52.1129.7177.7175.2-179.3-101.2-161.7-6.5109.2P189 G193P189-R191 PolarHBondContact O-N 3.34Å; R191-G193 PolarHBondContact O-N 3.35Å
192A46.3Very low49Very low59 Ų59127.9 Ų127.949%0.48866%0.659SS.*THydrogen-bonded Turntrans-67.860.8-179.400000113.6V148 Y190 V249V148-A192 HydrophobicContact CG2-CB 4.43Å; Y190-A192 PolarHBondContact O-N 3.18Å; A192-V249 HydrophobicContact CB-CG2 4.39Å
193G36.9Very low46.7Very low71 Ų71129.3 Ų129.373%0.73268%0.679SS**THydrogen-bonded Turntrans-148.75.4179.600000115.6R191R191-G193 PolarHBondContact O-N 3.35Å
194S38.8Very low44.7Very low94 Ų94135.5 Ų135.566%0.65771%0.707SS**  trans-139.147.4-177.376.70000114.3
195Y43.9Very low43.3Very low177 Ų177137.5 Ų137.569%0.69471%0.709SS**  trans-117.361170.2-139.9-91.2000111.7Q198Y195-Q198 PolarHBondContact OH-O 3.06Å; Y195-Q198 VanDerWaalsContact OH-O 3.08Å
196T39.9Very low41.9Very low136 Ų136139.2 Ų139.283%0.83471%0.711SS**SBendtrans-99.6111.8153.312.20000106.9
197S44.1Very low41.3Very low91 Ų91140 Ų14064%0.63671%0.707SS**  trans79.4107.5-177.6960000115.4
198Q38.1Very low40.1Very low118 Ų118140.2 Ų140.255%0.55171%0.709SS**  -178.3115.797-92.5168.1-2.200109.5Y195 S200Y195-Q198 PolarHBondContact OH-O 3.06Å; Y195-Q198 VanDerWaalsContact OH-O 3.08Å; Q198-S200 VanDerWaalsContact C-N 3.32Å; Q198-S200 PolarHBondContact O-N 2.85Å; Q198-S200 VanDerWaalsContact O-N 3.09Å
199H38.6Very low39.4Very low203 Ų203140.7 Ų140.794%0.9472%0.718SS**  trans-61.192.7153.2-87.9-110.6000107.6
200S38.4Very low38.6Very low85 Ų85142 Ų14259%0.59473%0.727SS**  trans159.570155.857.20000111.4Q198Q198-S200 VanDerWaalsContact C-N 3.32Å; Q198-S200 PolarHBondContact O-N 2.85Å; Q198-S200 VanDerWaalsContact O-N 3.09Å
201Y32.5Very low38Very low198 Ų198141.8 Ų141.878%0.77673%0.731SS**  trans-143.5104.1152.4-89.4-79000108.1S203Y201-S203 PolarHBondContact O-N 2.95Å; Y201-S203 VanDerWaalsContact O-N 3.13Å
202H34.5Very low37.8Very low173 Ų173138.6 Ų138.680%0.80173%0.726SS**  trans-64.2108.1161.2-153.9-121.2000105.3E204H202-E204 PolarHBondContact O-N 2.72Å
203S40.6Very low37.3Very low111 Ų111141.8 Ų141.878%0.77675%0.745SS**  trans-7272.5174.6170.70000108.7Y201 L205Y201-S203 PolarHBondContact O-N 2.95Å; Y201-S203 VanDerWaalsContact O-N 3.13Å; S203-L205 PolarHBondContact O-N 3.17Å
204E40.8Very low37.3Very low165 Ų165142.7 Ų142.777%0.77174%0.74SS**  trans-69.390.4154.2-80.6-169.7162.700107.1H202H202-E204 PolarHBondContact O-N 2.72Å
205L41.4Very low37.6Very low145 Ų145142.3 Ų142.376%0.75973%0.73SS**  trans-155.7101.1147.5-100.1167.4000105.9S203 Y207S203-L205 PolarHBondContact O-N 3.17Å; L205-Y207 PolarHBondContact O-N 3.05Å
206S30.3Very low37.5Very low102 Ų102138.7 Ų138.771%0.71372%0.722SS**  trans-25.6102.1161.147.90000111.2Q208S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.06Å
207Y35.9Very low37.7Very low197 Ų197141.4 Ų141.477%0.77373%0.725SS**  trans-53.198.2161.1-158.8-92.6000105.8L205 E209L205-Y207 PolarHBondContact O-N 3.05Å; Y207-E209 VanDerWaalsContact C-N 3.33Å; Y207-E209 PolarHBondContact O-N 2.83Å
208Q28Very low37.6Very low157 Ų157138.1 Ų138.173%0.73471%0.705SS**  trans-66.7103.8177.8-146.2167.4-53.300105.8S206 S210S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.06Å; Q208-S210 WeakPolarHBondContact CG-OG 3.4Å; Q208-S210 PolarHBondContact O-N 2.85Å
209E38.5Very low38.1Very low193 Ų193140.6 Ų140.690%0.90272%0.722SS**  trans-61.452170.8-70.6-168.5135.200111.2Y207Y207-E209 VanDerWaalsContact C-N 3.33Å; Y207-E209 PolarHBondContact O-N 2.83Å
210S33.3Very low38.9Very low62 Ų62136 Ų13643%0.43470%0.704SS.*  trans-145.461.9-175.268.80000110.4Q208Q208-S210 WeakPolarHBondContact CG-OG 3.4Å; Q208-S210 PolarHBondContact O-N 2.85Å
211F35.8Very low39.9Very low210 Ų210139 Ų13992%0.92171%0.713SS**SBendtrans-142.8121.2133.9-122.2-87.7000107.8S213F211-S213 PolarHBondContact O-N 2.82Å
212H36.7Very low41.7Very low164 Ų164130.1 Ų130.176%0.75968%0.682SS**  trans-45.8123-165.7-65.8172.5000112.6S214H212-S214 PolarHBondContact O-N 2.79Å
213S36.5Very low44.2Very low126 Ų126123.2 Ų123.288%0.88165%0.651SS**SBendtrans-55.181.215653.10000109.5F211F211-S213 PolarHBondContact O-N 2.82Å
214S37.8Very low46.6Very low90 Ų90118.5 Ų118.563%0.62962%0.617SS**  trans-14952.8164.969.20000108.7H212H212-S214 PolarHBondContact O-N 2.79Å
215I44.2Very low48.9Very low86 Ų86112.4 Ų112.444%0.44159%0.591SS.*SBendtrans-110.5108163.3-46.5175.9000106.2Q217 L224I215-Q217 PolarHBondContact O-N 3.45Å; I215-Q217 VanDerWaalsContact O-N 3.11Å; I215-L224 HydrophobicContact CB-CD1 3.74Å; I215-L224 HydrophobicContact CD1-CD1 4.02Å; I215-L224 HydrophobicContact CD1-CD2 4.36Å; I215-L224 HydrophobicContact CG1-CD1 4.48Å; I215-L224 HydrophobicContact CG2-CD1 3.18Å; I215-L224 HydrophobicContact CG2-CG 3.71Å
216N41.3Very low51.3Low101 Ų101106.2 Ų106.254%0.5456%0.559SS.*  trans-45.8119.2-175.6-65-61.4000109.3G218N216-G218 PolarHBondContact O-N 3.16Å
217Q44.4Very low54.2Low193 Ų193107.5 Ų107.590%0.90255%0.552SS**BIsolated β-bridgetrans-50.5110.1172.9-67.3173.5-4.900107.6I215I215-Q217 PolarHBondContact O-N 3.45Å; I215-Q217 VanDerWaalsContact O-N 3.11Å
218G41.1Very low56.7Low21 Ų21103.2 Ų103.222%0.21654%0.542CS..  trans-58.9144.1171.400000109.4N216 N220N216-G218 PolarHBondContact O-N 3.16Å; G218-N220 PolarHBondContact O-N 3.01Å
219L50.6Low59.7Low171 Ų17195.8 Ų95.890%0.89551%0.507SS*.SBendtrans-57.7-6.3-172.5-154.969000114.6
220N53.4Low62.2Low107 Ų10788.1 Ų88.157%0.57248%0.475SS*.SBendtrans-142.4145.2179.7-66.1-53.5000111.4G218 G222 D223G218-N220 PolarHBondContact O-N 3.01Å; N220-G222 VanDerWaalsContact C-N 3.34Å; N220-G222 PolarHBondContact O-N 3.48Å; N220-D223 PolarHBondContact O-N 3.2Å
221N60.9Low64.8Low146 Ų14689.9 Ų89.978%0.78147%0.472SS*.THydrogen-bonded Turntrans-39.976.5-177.2-54.3-19.7000115.7
222G70.1Confident67.2Low12 Ų1283.7 Ų83.712%0.12446%0.46CS..THydrogen-bonded Turntrans125.87.9169.500000117.5Y178 W180 N220Y178-G222 VanDerWaalsContact CB-CA 3.43Å; W180-G222 PolarHBondContact NE1-O 3.37Å; N220-G222 VanDerWaalsContact C-N 3.34Å; N220-G222 PolarHBondContact O-N 3.48Å
223D87.5Confident69.7Low29 Ų2978 Ų7816%0.15544%0.435CS..  trans-88.9141.7-180-66.3-11.2000113.3V164 L165 K166 N220V164-D223 HydrophobicContact CG1-CB 4.12Å; L165-D223 WeakPolarHBondContact O-CA 3.27Å; K166-D223 HydrophobicContact CD-CB 4.43Å; K166-D223 WeakPolarHBondContact CD-OD1 3Å; K166-D223 WeakPolarHBondContact CD-OD2 2.97Å; K166-D223 IonicContact NZ-OD1 2.65Å; K166-D223 IonicContact NZ-OD2 3.74Å; K166-D223 PolarHBondContact NZ-OD2 2.86Å; N220-D223 PolarHBondContact O-N 3.2Å
224L89.1Confident72.2Confident12 Ų1274.6 Ų74.66%0.06341%0.407CS..EExtended strand (participates in β ladder)trans-112.6123.4172.4-162.271.7000110.8V164 L165 W180 I215 L226 Y237V164-L224 CarbonylContact C-O 3.6Å; V164-L224 WeakPolarHBondContact CA-O 3.01Å; L165-L224 HydrophobicContact CB-CB 4.02Å; L165-L224 HydrophobicContact CD1-CB 4.35Å; L165-L224 HydrophobicContact CD1-CD2 3.73Å; L165-L224 HydrophobicContact CG-CB 4.26Å; L165-L224 HydrophobicContact CG-CD2 4.42Å; L165-L224 PolarHBondContact N-O 3.43Å; L165-L224 PolarHBondContact O-N 3.14Å; W180-L224 HydrophobicContact CB-CB 4.42Å; W180-L224 HydrophobicContact CB-CD1 3.76Å; W180-L224 HydrophobicContact CB-CD2 3.87Å; W180-L224 HydrophobicContact CB-CG 4.24Å; W180-L224 HydrophobicContact CD2-CB 4.06Å; W180-L224 HydrophobicContact CD2-CD2 4.28Å; W180-L224 HydrophobicContact CG-CB 3.82Å; W180-L224 HydrophobicContact CG-CD1 3.99Å; W180-L224 HydrophobicContact CG-CD2 4.02Å; W180-L224 HydrophobicContact CG-CG 4.17Å; I215-L224 HydrophobicContact CB-CD1 3.74Å; I215-L224 HydrophobicContact CD1-CD1 4.02Å; I215-L224 HydrophobicContact CD1-CD2 4.36Å; I215-L224 HydrophobicContact CG1-CD1 4.48Å; I215-L224 HydrophobicContact CG2-CD1 3.18Å; I215-L224 HydrophobicContact CG2-CG 3.71Å; L224-L226 HydrophobicContact CD2-CD2 4.01Å; L224-L226 HydrophobicContact CG-CD2 4.45Å; L224-Y237 HydrophobicContact CD2-CD1 3.96Å; L224-Y237 HydrophobicContact CD2-CE1 4.29Å
225V90.8Very high74.6Confident36 Ų3671.5 Ų71.522%0.21839%0.389CS..EExtended strand (participates in β ladder)trans-100.6116.4175.1-173.30000109.7V164 K227V164-V225 HydrophobicContact CG1-CG2 4.43Å; V164-V225 HydrophobicContact CG2-CG2 4.24Å; V225-K227 HydrophobicContact CG1-CG 4.05Å
226L90.9Very high76.8Confident16 Ų1670 Ų708%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-94.3120.7168-56.7-179000107.9D162 V163 L165 L224 I229 Y237 V254D162-L226 CarbonylContact C-O 3.57Å; D162-L226 WeakPolarHBondContact CA-O 3.05Å; V163-L226 PolarHBondContact N-O 3.33Å; V163-L226 PolarHBondContact O-N 2.82Å; L165-L226 HydrophobicContact CD1-CD1 4.2Å; L165-L226 HydrophobicContact CD2-CD1 4.29Å; L165-L226 HydrophobicContact CG-CD1 4.33Å; L165-L226 HydrophobicContact CG-CG 4.49Å; L224-L226 HydrophobicContact CD2-CD2 4.01Å; L224-L226 HydrophobicContact CG-CD2 4.45Å; L226-I229 HydrophobicContact CB-CG2 3.67Å; L226-Y237 HydrophobicContact CD1-CE1 4.04Å; L226-Y237 HydrophobicContact CD1-CE2 4.37Å; L226-Y237 HydrophobicContact CD2-CE1 3.96Å; L226-V254 HydrophobicContact CD1-CG1 4.43Å; L226-V254 HydrophobicContact CD1-CG2 4.21Å
227K90.9Very high79.1Confident129 Ų12965.5 Ų65.556%0.56136%0.357SS*.PPolyproline II helixtrans-103.7146.4-179.4-64.8-172.6175.7-176.60110.8D162 V225 I229D162-K227 WeakPolarHBondContact OD1-CA 3.48Å; V225-K227 HydrophobicContact CG1-CG 4.05Å; K227-I229 VanDerWaalsContact C-N 3.33Å; K227-I229 PolarHBondContact O-N 2.89Å
228D89.3Confident81.2Confident107 Ų10758.2 Ų58.257%0.57232%0.323SS*.SBendtrans47.355.1175.7-169.614.5000112.1G160 N161 D162G160-D228 VanDerWaalsContact CA-OD1 3.28Å; G160-D228 WeakPolarHBondContact CA-OD1 3.43Å; N161-D228 PolarHBondContact O-N 2.83Å; D162-D228 PolarHBondContact OD1-N 2.87Å
229I90.7Very high83.5Confident0 Ų057.2 Ų57.20%031%0.313CS..  trans-63.7143.9-169.665.7-178.2000112.1T158 H159 G160 N161 V163 L226 K227 V256T158-I229 WeakPolarHBondContact O-CG1 3.47Å; H159-I229 CarbonylContact C-O 3.55Å; H159-I229 VanDerWaalsContact CA-O 3.29Å; H159-I229 WeakPolarHBondContact CA-O 3.19Å; G160-I229 PolarHBondContact N-O 2.76Å; N161-I229 WeakPolarHBondContact O-CG1 3.45Å; N161-I229 PolarHBondContact O-N 2.8Å; V163-I229 HydrophobicContact CB-CD1 4.44Å; V163-I229 HydrophobicContact CG2-CD1 3.61Å; L226-I229 HydrophobicContact CB-CG2 3.67Å; K227-I229 VanDerWaalsContact C-N 3.33Å; K227-I229 PolarHBondContact O-N 2.89Å; I229-V256 HydrophobicContact CB-CG2 4.09Å; I229-V256 HydrophobicContact CD1-CG1 4.16Å; I229-V256 HydrophobicContact CD1-CG2 3.97Å; I229-V256 HydrophobicContact CG1-CG1 3.95Å; I229-V256 HydrophobicContact CG1-CG2 4.06Å
230S90.6Very high85.4Confident33 Ų3350.7 Ų50.723%0.23128%0.28CS..  trans-132.4174.9-178.676.40000111.5A232 D233 V256S230-A232 PolarHBondContact O-N 2.86Å; S230-A232 PolarHBondContact OG-N 2.89Å; S230-D233 PolarHBondContact N-OD2 3.49Å; S230-D233 WeakPolarHBondContact O-CB 3.47Å; S230-D233 PolarHBondContact O-N 1.97Å; S230-D233 PolarHBondContact OG-OD2 2.86Å; S230-V256 WeakPolarHBondContact O-CG2 3.31Å
231R87.6Confident87.1Confident99 Ų9945.6 Ų45.637%0.37425%0.253SS..G310 helixtrans-63.5-20173.9-72.4178.9-176.8-92.5-8.4113.9D233 D234 D258R231-D233 PolarHBondContact O-N 2.04Å; R231-D234 WeakPolarHBondContact O-CB 3.46Å; R231-D234 PolarHBondContact O-N 3.17Å; R231-D258 IonicContact NE-OD2 3.31Å; R231-D258 IonicContact NH2-OD2 2.71Å
232A87.1Confident88.5Confident80 Ų8039.8 Ų39.866%0.66123%0.225SC*.G310 helixtrans-70.1-20.717400000111.6K182 S230 D234K182-A232 PolarHBondContact NZ-O 3Å; S230-A232 PolarHBondContact O-N 2.86Å; S230-A232 PolarHBondContact OG-N 2.89Å; A232-D234 VanDerWaalsContact C-N 3.31Å
233D89.2Confident89.5Confident43 Ų4340.1 Ų40.123%0.2322%0.224CC..G310 helixtrans-82.1-10.4176.9-57-62.6000112.7K182 S230 R231 G235 Y237K182-D233 VanDerWaalsContact NZ-CA 3.27Å; K182-D233 PolarHBondContact NZ-O 2.89Å; S230-D233 PolarHBondContact N-OD2 3.49Å; S230-D233 WeakPolarHBondContact O-CB 3.47Å; S230-D233 PolarHBondContact O-N 1.97Å; S230-D233 PolarHBondContact OG-OD2 2.86Å; R231-D233 PolarHBondContact O-N 2.04Å; D233-G235 PolarHBondContact O-N 3.19Å; D233-Y237 WeakPolarHBondContact O-CE2 3.03Å; D233-Y237 PolarHBondContact O-OH 2.93Å
234D88.8Confident89.7Confident56 Ų5642.6 Ų42.630%0.29924%0.237SC..  trans-53.2133.8172.1-70.5-6.5000110.5K182 R231 A232 V254 V256K182-D234 VanDerWaalsContact CE-O 3.31Å; K182-D234 WeakPolarHBondContact CE-O 3.47Å; K182-D234 PolarHBondContact NZ-O 3.41Å; R231-D234 WeakPolarHBondContact O-CB 3.46Å; R231-D234 PolarHBondContact O-N 3.17Å; A232-D234 VanDerWaalsContact C-N 3.31Å; D234-V254 WeakPolarHBondContact CA-O 3.47Å; D234-V256 WeakPolarHBondContact OD1-CB 3.34Å; D234-V256 WeakPolarHBondContact OD1-CG2 3.38Å; D234-V256 PolarHBondContact OD1-N 2.92Å
235G89.1Confident89.8Confident24 Ų2443 Ų4325%0.24724%0.24CC..EExtended strand (participates in β ladder)trans151.5-177178.600000114.2D233 V254D233-G235 PolarHBondContact O-N 3.19Å; G235-V254 PolarHBondContact N-O 3.01Å; G235-V254 PolarHBondContact O-N 2.74Å
236L88.6Confident89.7Confident54 Ų5441.9 Ų41.928%0.28324%0.236SC..EExtended strand (participates in β ladder)trans-95.8134.4177-62.3175.3000109.8I183 V251 V252 E253I183-L236 HydrophobicContact CB-CB 4.23Å; I183-L236 WeakPolarHBondContact CB-O 3.43Å; I183-L236 HydrophobicContact CD1-CB 3.65Å; I183-L236 HydrophobicContact CG1-CB 4.48Å; I183-L236 PolarHBondContact N-O 3.35Å; L236-V251 HydrophobicContact CB-CG1 3.86Å; L236-V251 HydrophobicContact CD2-CG1 4.08Å; L236-V251 HydrophobicContact CG-CG1 4.38Å; L236-V252 WeakPolarHBondContact CA-O 3.39Å; L236-E253 HydrophobicContact CD2-CB 3.67Å; L236-E253 HydrophobicContact CD2-CG 3.88Å
237Y89.5Confident89.6Confident7 Ų748.9 Ų48.93%0.02726%0.262CS..EExtended strand (participates in β ladder)trans-116.3125.9177.5-70.4-107.1000108.8L165 A181 K182 L224 L226 D233 V251 V252 V254L165-Y237 HydrophobicContact CD1-CD1 3.64Å; L165-Y237 HydrophobicContact CD1-CD2 4.26Å; L165-Y237 HydrophobicContact CD1-CE1 4.33Å; L165-Y237 HydrophobicContact CD1-CG 3.59Å; A181-Y237 CarbonylContact O-C 3.59Å; A181-Y237 WeakPolarHBondContact O-CA 3.49Å; K182-Y237 HydrophobicContact CB-CD1 4.09Å; K182-Y237 HydrophobicContact CB-CE1 3.9Å; K182-Y237 HydrophobicContact CD-CE1 4.16Å; K182-Y237 HydrophobicContact CD-CE2 4.2Å; K182-Y237 HydrophobicContact CG-CD1 4.39Å; K182-Y237 HydrophobicContact CG-CE1 4.05Å; K182-Y237 HydrophobicContact CG-CE2 4.16Å; L224-Y237 HydrophobicContact CD2-CD1 3.96Å; L224-Y237 HydrophobicContact CD2-CE1 4.29Å; L226-Y237 HydrophobicContact CD1-CE1 4.04Å; L226-Y237 HydrophobicContact CD1-CE2 4.37Å; L226-Y237 HydrophobicContact CD2-CE1 3.96Å; D233-Y237 WeakPolarHBondContact O-CE2 3.03Å; D233-Y237 PolarHBondContact O-OH 2.93Å; Y237-V251 CarbonylContact O-C 3.58Å; Y237-V251 VanDerWaalsContact O-CA 3.3Å; Y237-V251 WeakPolarHBondContact O-CA 3.27Å; Y237-V252 PolarHBondContact N-O 3.23Å; Y237-V252 PolarHBondContact O-N 2.8Å; Y237-V254 HydrophobicContact CD2-CB 4Å; Y237-V254 HydrophobicContact CD2-CG2 3.48Å; Y237-V254 VanDerWaalsContact CD2-CG2 3.48Å; Y237-V254 HydrophobicContact CE2-CB 3.72Å; Y237-V254 HydrophobicContact CE2-CG1 4.45Å; Y237-V254 HydrophobicContact CE2-CG2 3.55Å; Y237-V254 HydrophobicContact CG-CG2 4.37Å
238Q89.3Confident89.4Confident41 Ų4143.7 Ų43.719%0.19224%0.242CC..EExtended strand (participates in β ladder)trans-100.5128.4177.4-179.6175.9-61.700110.3W180 A181 I183 T240 V249 C250W180-Q238 CarbonylContact C-O 3.59Å; W180-Q238 WeakPolarHBondContact CA-O 3.33Å; W180-Q238 VanDerWaalsContact CE3-C 3.44Å; A181-Q238 PolarHBondContact N-O 2.9Å; A181-Q238 PolarHBondContact O-N 2.79Å; I183-Q238 HydrophobicContact CD1-CB 4.02Å; I183-Q238 HydrophobicContact CG1-CB 4.17Å; Q238-T240 PolarHBondContact NE2-OG1 3.35Å; Q238-V249 HydrophobicContact CG-CB 4.13Å; Q238-V249 HydrophobicContact CG-CG1 4.32Å; Q238-C250 VanDerWaalsContact CA-O 3.31Å; Q238-C250 WeakPolarHBondContact CA-O 3.2Å
239C90.4Very high89.4Confident0 Ų039.5 Ų39.50%022%0.221CC..EExtended strand (participates in β ladder)trans-97.6135161.4173.40000109.2C167 K179 W180 V249 C250C167-C239 HydrophobicContact CB-CB 3.56Å; C167-C239 WeakPolarHBondContact CB-SG 3.46Å; C167-C239 WeakPolarHBondContact SG-CB 3.42Å; C167-C239 CovalentContact SG-SG 2.04Å; C167-C239 PolarHBondContact SG-SG 3.03Å; K179-C239 CarbonylContact O-C 3.54Å; K179-C239 WeakPolarHBondContact O-CA 3.31Å; W180-C239 HydrophobicContact CD2-CB 3.72Å; W180-C239 HydrophobicContact CE3-CB 3.72Å; W180-C239 HydrophobicContact CG-CB 4.49Å; W180-C239 HydrophobicContact CH2-CB 3.7Å; W180-C239 HydrophobicContact CZ2-CB 3.71Å; W180-C239 HydrophobicContact CZ3-CB 3.69Å; C239-V249 VanDerWaalsContact O-CA 3.24Å; C239-V249 WeakPolarHBondContact O-CA 3.2Å; C239-C250 VanDerWaalsContact CB-SG 3.51Å; C239-C250 PolarHBondContact N-O 3.42Å; C239-C250 PolarHBondContact O-N 3.14Å
240T90.2Very high89.3Confident33 Ų3340.3 Ų40.320%0.20223%0.226CC..EExtended strand (participates in β ladder)trans-116.4121.8175.9-520000108.2Y178 K179 Q238 Y247 V249Y178-T240 CarbonylContact C-O 3.51Å; Y178-T240 WeakPolarHBondContact CA-O 3.37Å; K179-T240 PolarHBondContact N-O 2.94Å; K179-T240 PolarHBondContact O-N 3.38Å; Q238-T240 PolarHBondContact NE2-OG1 3.35Å; T240-Y247 HydrophobicContact CG2-CD2 4.03Å; T240-Y247 HydrophobicContact CG2-CG 4.39Å; T240-V249 HydrophobicContact CG2-CG1 3.99Å
241V89.6Confident89.3Confident0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-109.3124176.1-171.80000108.4P146 P149 A169 L176 S177 Y178 Y247 S248P146-V241 HydrophobicContact CB-CB 4.4Å; P146-V241 HydrophobicContact CB-CG1 4.1Å; P149-V241 HydrophobicContact CB-CG2 3.81Å; P149-V241 HydrophobicContact CG-CG2 3.85Å; A169-V241 HydrophobicContact CB-CB 4.48Å; A169-V241 HydrophobicContact CB-CG1 3.98Å; A169-V241 HydrophobicContact CB-CG2 4.45Å; L176-V241 HydrophobicContact CB-CG1 4.21Å; L176-V241 HydrophobicContact CD2-CG1 4.33Å; S177-V241 CarbonylContact O-C 3.6Å; S177-V241 VanDerWaalsContact O-CA 3.25Å; S177-V241 WeakPolarHBondContact O-CA 3.35Å; Y178-V241 HydrophobicContact CD1-CB 4.39Å; Y178-V241 HydrophobicContact CD1-CG1 4.25Å; Y178-V241 HydrophobicContact CD1-CG2 3.4Å; Y178-V241 VanDerWaalsContact CD1-CG2 3.4Å; Y178-V241 HydrophobicContact CD2-CG1 4.45Å; Y178-V241 HydrophobicContact CE1-CB 4.28Å; Y178-V241 HydrophobicContact CE1-CG1 3.9Å; Y178-V241 HydrophobicContact CE1-CG2 3.35Å; Y178-V241 HydrophobicContact CE2-CG1 4.12Å; Y178-V241 HydrophobicContact CG-CG1 4.49Å; Y178-V241 HydrophobicContact CG-CG2 4.21Å; V241-Y247 CarbonylContact O-C 3.56Å; V241-Y247 WeakPolarHBondContact O-CA 3.4Å; V241-Y247 WeakPolarHBondContact O-CB 2.89Å; V241-S248 PolarHBondContact N-O 3.24Å; V241-S248 PolarHBondContact O-N 2.77Å
242A89.8Confident89.5Confident25 Ų2537.2 Ų37.221%0.20722%0.217CC..EExtended strand (participates in β ladder)trans-135147.5-173.300000112.8S177 G246S177-A242 PolarHBondContact N-O 3.32Å; S177-A242 PolarHBondContact O-N 2.75Å; S177-A242 PolarHBondContact OG-O 2.85Å; A242-G246 WeakPolarHBondContact CA-O 3.44Å
243N90.4Very high89.6Confident18 Ų1839.5 Ų39.510%0.09621%0.213CC..EExtended strand (participates in β ladder)trans-126.6-169.4164.9687.6000109.9A144 P146 S173 L176 V245 G246A144-N243 PolarHBondContact O-ND2 3.03Å; P146-N243 HydrophobicContact CG-CB 4.32Å; S173-N243 PolarHBondContact O-ND2 2.72Å; S173-N243 VanDerWaalsContact O-ND2 3.12Å; L176-N243 HydrophobicContact CD2-CB 4.28Å; N243-V245 PolarHBondContact O-N 2.87Å; N243-V245 VanDerWaalsContact O-N 3.14Å; N243-V245 WeakPolarHBondContact OD1-CG2 3.47Å; N243-V245 PolarHBondContact OD1-N 3.23Å; N243-V245 VanDerWaalsContact OD1-N 3.09Å; N243-G246 PolarHBondContact N-O 2.84Å; N243-G246 PolarHBondContact OD1-N 2.75Å; N243-G246 VanDerWaalsContact OD1-N 3.09Å; N243-G246 PolarHBondContact OD1-O 2.92Å
244N91.3Very high89.7Confident82 Ų8237.5 Ų37.544%0.43920%0.203SC..THydrogen-bonded Turntrans-62.3-21.5-176.3-63.665.6000114Y33Y33-N244 HydrophobicContact CD1-CB 3.79Å; Y33-N244 HydrophobicContact CD2-CB 4.39Å; Y33-N244 HydrophobicContact CE1-CB 4.43Å; Y33-N244 HydrophobicContact CG-CB 3.77Å
245V91.1Very high89.8Confident20 Ų2041.5 Ų41.512%0.12122%0.218CC..THydrogen-bonded Turntrans-114.1-8.9-169.8-59.40000113.8A35 Q143 R145 N243A35-V245 HydrophobicContact CB-CB 4.15Å; A35-V245 HydrophobicContact CB-CG2 4.35Å; Q143-V245 HydrophobicContact CB-CB 4.41Å; Q143-V245 HydrophobicContact CB-CG1 3.88Å; Q143-V245 HydrophobicContact CB-CG2 3.61Å; Q143-V245 HydrophobicContact CG-CG1 4.49Å; R145-V245 HydrophobicContact CG-CG2 4.14Å; R145-V245 VanDerWaalsContact CZ-O 3.31Å; R145-V245 PolarHBondContact NH1-O 3.21Å; N243-V245 PolarHBondContact O-N 2.87Å; N243-V245 VanDerWaalsContact O-N 3.14Å; N243-V245 WeakPolarHBondContact OD1-CG2 3.47Å; N243-V245 PolarHBondContact OD1-N 3.23Å; N243-V245 VanDerWaalsContact OD1-N 3.09Å
246G89.1Confident90Very high12 Ų1240.7 Ų40.712%0.12421%0.208CC..EExtended strand (participates in β ladder)trans175-173.9177.300000114.2A242 N243A242-G246 WeakPolarHBondContact CA-O 3.44Å; N243-G246 PolarHBondContact N-O 2.84Å; N243-G246 PolarHBondContact OD1-N 2.75Å; N243-G246 VanDerWaalsContact OD1-N 3.09Å; N243-G246 PolarHBondContact OD1-O 2.92Å
247Y89.3Confident89.9Confident163 Ų16341.1 Ų41.164%0.63922%0.215SC*.EExtended strand (participates in β ladder)trans-144.9158179.168.1-86.9000111.2T240 V241 V249T240-Y247 HydrophobicContact CG2-CD2 4.03Å; T240-Y247 HydrophobicContact CG2-CG 4.39Å; V241-Y247 CarbonylContact O-C 3.56Å; V241-Y247 WeakPolarHBondContact O-CA 3.4Å; V241-Y247 WeakPolarHBondContact O-CB 2.89Å; Y247-V249 HydrophobicContact CD2-CG1 4.08Å; Y247-V249 HydrophobicContact CE2-CG1 4.32Å
248S87.1Confident89.6Confident20 Ų2042.4 Ų42.414%0.1422%0.223CC..EExtended strand (participates in β ladder)trans-136.7154.3174.4-74.80000109.8P146 A147 V241P146-S248 WeakPolarHBondContact O-CB 3.49Å; P146-S248 PolarHBondContact O-OG 3.19Å; A147-S248 WeakPolarHBondContact O-CB 3.29Å; V241-S248 PolarHBondContact N-O 3.24Å; V241-S248 PolarHBondContact O-N 2.77Å
249V88.9Confident88.9Confident20 Ų2043.8 Ų43.812%0.12124%0.237CC..EExtended strand (participates in β ladder)trans-133153.1-172.8-59.70000112.4A192 Q238 C239 T240 Y247A192-V249 HydrophobicContact CB-CG2 4.39Å; Q238-V249 HydrophobicContact CG-CB 4.13Å; Q238-V249 HydrophobicContact CG-CG1 4.32Å; C239-V249 VanDerWaalsContact O-CA 3.24Å; C239-V249 WeakPolarHBondContact O-CA 3.2Å; T240-V249 HydrophobicContact CG2-CG1 3.99Å; Y247-V249 HydrophobicContact CD2-CG1 4.08Å; Y247-V249 HydrophobicContact CE2-CG1 4.32Å
250C89.3Confident88Confident16 Ų1653.5 Ų53.511%0.10827%0.274CS..EExtended strand (participates in β ladder)trans-136.4166.6167.367.40000109.1P149 C151 Q238 C239P149-C250 HydrophobicContact CG-CB 3.9Å; P149-C250 WeakPolarHBondContact O-CB 3.31Å; C151-C250 HydrophobicContact CB-CB 3.74Å; C151-C250 WeakPolarHBondContact CB-SG 3.24Å; C151-C250 WeakPolarHBondContact SG-CB 3.21Å; C151-C250 CovalentContact SG-SG 1.97Å; C151-C250 PolarHBondContact SG-SG 2.98Å; Q238-C250 VanDerWaalsContact CA-O 3.31Å; Q238-C250 WeakPolarHBondContact CA-O 3.2Å; C239-C250 VanDerWaalsContact CB-SG 3.51Å; C239-C250 PolarHBondContact N-O 3.42Å; C239-C250 PolarHBondContact O-N 3.14Å
251V90.1Very high87.2Confident58 Ų5858.3 Ų58.335%0.35229%0.288SS..EExtended strand (participates in β ladder)trans-135.1139.4179.5-176.30000109.9I183 P189 L236 Y237I183-V251 HydrophobicContact CD1-CG1 4.01Å; I183-V251 HydrophobicContact CD1-CG2 4.33Å; P189-V251 HydrophobicContact CB-CG2 4.4Å; P189-V251 HydrophobicContact CG-CG2 3.57Å; L236-V251 HydrophobicContact CB-CG1 3.86Å; L236-V251 HydrophobicContact CD2-CG1 4.08Å; L236-V251 HydrophobicContact CG-CG1 4.38Å; Y237-V251 CarbonylContact O-C 3.58Å; Y237-V251 VanDerWaalsContact O-CA 3.3Å; Y237-V251 WeakPolarHBondContact O-CA 3.27Å
252V90.9Very high86.5Confident10 Ų1062.9 Ų62.96%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-121.6144.6169.5-60.20000109.8C151 T153 L165 W180 L236 Y237C151-V252 HydrophobicContact CB-CG1 3.54Å; T153-V252 HydrophobicContact CG2-CB 4.27Å; T153-V252 HydrophobicContact CG2-CG2 4.39Å; L165-V252 HydrophobicContact CB-CG2 4.44Å; L165-V252 HydrophobicContact CD1-CG2 4.01Å; L165-V252 HydrophobicContact CD2-CG2 4.23Å; L165-V252 HydrophobicContact CG-CG2 4.47Å; W180-V252 HydrophobicContact CH2-CG2 4.03Å; W180-V252 HydrophobicContact CZ3-CG2 3.87Å; L236-V252 WeakPolarHBondContact CA-O 3.39Å; Y237-V252 PolarHBondContact N-O 3.23Å; Y237-V252 PolarHBondContact O-N 2.8Å
253E90.9Very high86.2Confident127 Ų12763.6 Ų63.659%0.59332%0.321SS*.EExtended strand (participates in β ladder)trans-98127.6174.6-173.4179.9177.600109.7L236L236-E253 HydrophobicContact CD2-CB 3.67Å; L236-E253 HydrophobicContact CD2-CG 3.88Å
254V90.8Very high85.9Confident2 Ų267.1 Ų67.11%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-105.1125.7173177.50000108.1L165 L226 D234 G235 Y237 V256L165-V254 HydrophobicContact CD1-CG2 4.38Å; L165-V254 HydrophobicContact CD2-CG2 3.8Å; L226-V254 HydrophobicContact CD1-CG1 4.43Å; L226-V254 HydrophobicContact CD1-CG2 4.21Å; D234-V254 WeakPolarHBondContact CA-O 3.47Å; G235-V254 PolarHBondContact N-O 3.01Å; G235-V254 PolarHBondContact O-N 2.74Å; Y237-V254 HydrophobicContact CD2-CB 4Å; Y237-V254 HydrophobicContact CD2-CG2 3.48Å; Y237-V254 VanDerWaalsContact CD2-CG2 3.48Å; Y237-V254 HydrophobicContact CE2-CB 3.72Å; Y237-V254 HydrophobicContact CE2-CG1 4.45Å; Y237-V254 HydrophobicContact CE2-CG2 3.55Å; Y237-V254 HydrophobicContact CG-CG2 4.37Å; V254-V256 HydrophobicContact CG1-CG2 4.23Å
255K91.1Very high85.7Confident140 Ų14068 Ų6861%0.60935%0.347SS*.  trans-137.9105.7179-172.8172.3-173.6168.50110.6M157 S257M157-K255 WeakPolarHBondContact CB-O 3.38Å; K255-S257 PolarHBondContact O-N 3.11Å
256V91.6Very high85.6Confident6 Ų671.3 Ų71.34%0.03636%0.363CS..  trans-83.3120-172.8-173.50000110.7H159 I229 S230 D234 V254H159-V256 HydrophobicContact CB-CG1 4.19Å; I229-V256 HydrophobicContact CB-CG2 4.09Å; I229-V256 HydrophobicContact CD1-CG1 4.16Å; I229-V256 HydrophobicContact CD1-CG2 3.97Å; I229-V256 HydrophobicContact CG1-CG1 3.95Å; I229-V256 HydrophobicContact CG1-CG2 4.06Å; S230-V256 WeakPolarHBondContact O-CG2 3.31Å; D234-V256 WeakPolarHBondContact OD1-CB 3.34Å; D234-V256 WeakPolarHBondContact OD1-CG2 3.38Å; D234-V256 PolarHBondContact OD1-N 2.92Å; V254-V256 HydrophobicContact CG1-CG2 4.23Å
257S88.5Confident85.7Confident63 Ų6373.6 Ų73.644%0.44138%0.381SS..BIsolated β-bridgetrans-82.3140.7174.1-64.10000110.8M157 T158 H159 K255M157-S257 WeakPolarHBondContact O-CB 3.18Å; M157-S257 PolarHBondContact O-N 2.96Å; T158-S257 CarbonylContact C-O 3.59Å; T158-S257 VanDerWaalsContact CA-O 3.27Å; T158-S257 WeakPolarHBondContact CA-O 3.35Å; H159-S257 PolarHBondContact N-O 3.5Å; K255-S257 PolarHBondContact O-N 3.11Å
258D81.6Confident86Confident35 Ų3568.4 Ų68.419%0.18737%0.371CS..  trans-108.3100.3180-176.9-8.5000109.1R231 R260 R261R231-D258 IonicContact NE-OD2 3.31Å; R231-D258 IonicContact NH2-OD2 2.71Å; D258-R260 PolarHBondContact O-N 2.76Å; D258-R260 VanDerWaalsContact OD1-CB 3.24Å; D258-R260 WeakPolarHBondContact OD1-CB 3.37Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R260 VanDerWaalsContact OD1-N 3.1Å; D258-R261 HydrophobicContact CB-CG 4.21Å; D258-R261 PolarHBondContact O-N 2.8Å; D258-R261 VanDerWaalsContact O-N 3.13Å; D258-R261 WeakPolarHBondContact OD2-CG 3.33Å; D258-R261 IonicContact OD2-NE 3.37Å; D258-R261 PolarHBondContact OD2-NE 2.94Å; D258-R261 VanDerWaalsContact OD2-NE 3.14Å
259S74.9Confident86.4Confident70 Ų7071.9 Ų71.949%0.4939%0.387SS..Hα-helixtrans-60.2-26.5-179.7-57.60000112.3R261 I262 G263S259-R261 VanDerWaalsContact C-N 3.33Å; S259-R261 PolarHBondContact O-N 2.88Å; S259-I262 PolarHBondContact O-N 2.93Å; S259-G263 PolarHBondContact O-N 2.76Å; S259-G263 VanDerWaalsContact O-N 3.07Å
260R72.6Confident86.7Confident204 Ų20476.1 Ų76.177%0.7741%0.409SS*.Hα-helixtrans-65-37.4177.5-170.3178.7177.7-177.5-0111.4D258 G263 V264D258-R260 PolarHBondContact O-N 2.76Å; D258-R260 VanDerWaalsContact OD1-CB 3.24Å; D258-R260 WeakPolarHBondContact OD1-CB 3.37Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R260 VanDerWaalsContact OD1-N 3.1Å; R260-G263 PolarHBondContact O-N 2.86Å; R260-V264 VanDerWaalsContact O-CG2 3.29Å; R260-V264 WeakPolarHBondContact O-CG2 3.4Å; R260-V264 PolarHBondContact O-N 3.34Å
261R72.8Confident87Confident133 Ų13377.2 Ų77.250%0.50242%0.423SS..Hα-helixtrans-66.2-40177.2-68.1-172.5-160.3-1546.5111.9D258 S259 G263 V264 I265D258-R261 HydrophobicContact CB-CG 4.21Å; D258-R261 PolarHBondContact O-N 2.8Å; D258-R261 VanDerWaalsContact O-N 3.13Å; D258-R261 WeakPolarHBondContact OD2-CG 3.33Å; D258-R261 IonicContact OD2-NE 3.37Å; D258-R261 PolarHBondContact OD2-NE 2.94Å; D258-R261 VanDerWaalsContact OD2-NE 3.14Å; S259-R261 VanDerWaalsContact C-N 3.33Å; S259-R261 PolarHBondContact O-N 2.88Å; R261-G263 VanDerWaalsContact C-N 3.34Å; R261-V264 PolarHBondContact O-N 2.65Å; R261-I265 WeakPolarHBondContact O-CD1 3.25Å; R261-I265 WeakPolarHBondContact O-CG1 3.34Å; R261-I265 PolarHBondContact O-N 2.68Å
262I75.5Confident87.3Confident97 Ų9777.7 Ų77.750%0.49743%0.429SS..Hα-helixtrans-62.7-45.6177.4-59.9175.9000109.7S259 V264 I265 I266S259-I262 PolarHBondContact O-N 2.93Å; I262-V264 PolarHBondContact O-N 2.94Å; I262-I265 PolarHBondContact O-N 2.95Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.49Å; I262-I266 VanDerWaalsContact O-CG1 3.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.38Å; I262-I266 PolarHBondContact O-N 3.31Å
263G81.8Confident87.6Confident40 Ų4082.4 Ų82.441%0.41245%0.453SS..Hα-helixtrans-59.4-44175.700000113.4S259 R260 R261 I266 A267S259-G263 PolarHBondContact O-N 2.76Å; S259-G263 VanDerWaalsContact O-N 3.07Å; R260-G263 PolarHBondContact O-N 2.86Å; R261-G263 VanDerWaalsContact C-N 3.34Å; G263-I266 PolarHBondContact O-N 3.13Å; G263-A267 WeakPolarHBondContact O-CB 3.28Å; G263-A267 PolarHBondContact O-N 3.45Å
264V85.9Confident87.9Confident92 Ų9282.3 Ų82.356%0.55846%0.456SS*.Hα-helixtrans-65-41.8177.8171.70000111.8R260 R261 I262 A267 A268R260-V264 VanDerWaalsContact O-CG2 3.29Å; R260-V264 WeakPolarHBondContact O-CG2 3.4Å; R260-V264 PolarHBondContact O-N 3.34Å; R261-V264 PolarHBondContact O-N 2.65Å; I262-V264 PolarHBondContact O-N 2.94Å; V264-A267 PolarHBondContact O-N 3.31Å; V264-A268 VanDerWaalsContact O-CB 3.31Å; V264-A268 WeakPolarHBondContact O-CB 3.29Å; V264-A268 PolarHBondContact O-N 2.92Å
265I85.6Confident88.1Confident100 Ų10084.6 Ų84.651%0.51348%0.475SS..Hα-helixtrans-63.7-46.1178.3-68.2163.2000110.4R261 I262 A267 A268 I269R261-I265 WeakPolarHBondContact O-CD1 3.25Å; R261-I265 WeakPolarHBondContact O-CG1 3.34Å; R261-I265 PolarHBondContact O-N 2.68Å; I262-I265 PolarHBondContact O-N 2.95Å; I265-A267 PolarHBondContact O-N 3.33Å; I265-A268 PolarHBondContact O-N 3.34Å; I265-I269 HydrophobicContact CG2-CD1 3.68Å; I265-I269 HydrophobicContact CG2-CG1 4.44Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.32Å; I265-I269 PolarHBondContact O-N 3.21Å
266I88.8Confident88.4Confident89 Ų8983.2 Ų83.246%0.45647%0.474SS..Hα-helixtrans-62.1-45.1178.3-66.8168.9000110.5I262 G263 A268 I269 L270I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.49Å; I262-I266 VanDerWaalsContact O-CG1 3.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.38Å; I262-I266 PolarHBondContact O-N 3.31Å; G263-I266 PolarHBondContact O-N 3.13Å; I266-A268 PolarHBondContact O-N 3.1Å; I266-I269 PolarHBondContact O-N 2.88Å; I266-L270 HydrophobicContact CG2-CD1 3.71Å; I266-L270 HydrophobicContact CG2-CG 4.32Å; I266-L270 WeakPolarHBondContact O-CB 3.25Å; I266-L270 WeakPolarHBondContact O-CG 3.31Å; I266-L270 PolarHBondContact O-N 3.12Å
267A91.6Very high88.6Confident61 Ų6184.8 Ų84.850%0.50449%0.491SS..Hα-helixtrans-63-41.1177.800000112.3G263 V264 I265 G271G263-A267 WeakPolarHBondContact O-CB 3.28Å; G263-A267 PolarHBondContact O-N 3.45Å; V264-A267 PolarHBondContact O-N 3.31Å; I265-A267 PolarHBondContact O-N 3.33Å; A267-G271 WeakPolarHBondContact O-CA 3.39Å; A267-G271 PolarHBondContact O-N 2.87Å
268A95Very high89Confident53 Ų5385.6 Ų85.644%0.43850%0.496SS..Hα-helixtrans-64.6-42.5176.800000111.9V264 I265 I266 S272V264-A268 VanDerWaalsContact O-CB 3.31Å; V264-A268 WeakPolarHBondContact O-CB 3.29Å; V264-A268 PolarHBondContact O-N 2.92Å; I265-A268 PolarHBondContact O-N 3.34Å; I266-A268 PolarHBondContact O-N 3.1Å; A268-S272 VanDerWaalsContact O-CB 3.25Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.32Å; A268-S272 PolarHBondContact O-OG 3.01Å
269I95.6Very high89.6Confident93 Ų9389.3 Ų89.348%0.47752%0.515SS..Hα-helixtrans-65.8-51.7178.4-67.2165.6000110.5I265 I266 G271 S272 L273I265-I269 HydrophobicContact CG2-CD1 3.68Å; I265-I269 HydrophobicContact CG2-CG1 4.44Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.32Å; I265-I269 PolarHBondContact O-N 3.21Å; I266-I269 PolarHBondContact O-N 2.88Å; I269-G271 PolarHBondContact O-N 2.96Å; I269-S272 PolarHBondContact O-N 3.48Å; I269-L273 HydrophobicContact CG2-CD1 3.9Å; I269-L273 WeakPolarHBondContact O-CB 3.26Å; I269-L273 WeakPolarHBondContact O-CG 3.49Å; I269-L273 PolarHBondContact O-N 3.45Å
270L95.8Very high90.5Very high110 Ų11088.9 Ų88.958%0.57652%0.516SS*.Hα-helixtrans-63.5-41.5179.9-70.6174.1000111.8I266 L273 L274I266-L270 HydrophobicContact CG2-CD1 3.71Å; I266-L270 HydrophobicContact CG2-CG 4.32Å; I266-L270 WeakPolarHBondContact O-CB 3.25Å; I266-L270 WeakPolarHBondContact O-CG 3.31Å; I266-L270 PolarHBondContact O-N 3.12Å; L270-L273 PolarHBondContact O-N 2.76Å; L270-L274 WeakPolarHBondContact O-CB 3.44Å; L270-L274 PolarHBondContact O-N 3.3Å
271G96.3Very high91.5Very high38 Ų3884.3 Ų84.339%0.39251%0.51SS..Hα-helixtrans-63.6-42.5176.400000112.6A267 I269 L274 A275A267-G271 WeakPolarHBondContact O-CA 3.39Å; A267-G271 PolarHBondContact O-N 2.87Å; I269-G271 PolarHBondContact O-N 2.96Å; G271-L274 PolarHBondContact O-N 3.35Å; G271-A275 WeakPolarHBondContact O-CB 3.43Å; G271-A275 PolarHBondContact O-N 3.05Å
272S96.2Very high92.5Very high69 Ų6979.8 Ų79.848%0.48351%0.505SS..Hα-helixtrans-66.6-41.7177.6-57.70000112A268 I269 A275 L276A268-S272 VanDerWaalsContact O-CB 3.25Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.32Å; A268-S272 PolarHBondContact O-OG 3.01Å; I269-S272 PolarHBondContact O-N 3.48Å; S272-A275 PolarHBondContact O-N 2.8Å; S272-L276 WeakPolarHBondContact O-CB 3.47Å; S272-L276 WeakPolarHBondContact O-CG 3.34Å; S272-L276 PolarHBondContact O-N 2.98Å
273L96.8Very high93.3Very high109 Ų10980.2 Ų80.257%0.57151%0.507SS*.Hα-helixtrans-63.7-42.1176.5-74.6169.5000111.9I269 L270 G277I269-L273 HydrophobicContact CG2-CD1 3.9Å; I269-L273 WeakPolarHBondContact O-CB 3.26Å; I269-L273 WeakPolarHBondContact O-CG 3.49Å; I269-L273 PolarHBondContact O-N 3.45Å; L270-L273 PolarHBondContact O-N 2.76Å; L273-G277 PolarHBondContact O-N 3.07Å
274L96.8Very high93.8Very high125 Ų12587.3 Ų87.365%0.65452%0.522SS*.Hα-helixtrans-63.1-47175.7-169.193.1000111.1L270 G271 L276 G277 C278L270-L274 WeakPolarHBondContact O-CB 3.44Å; L270-L274 PolarHBondContact O-N 3.3Å; G271-L274 PolarHBondContact O-N 3.35Å; L274-L276 PolarHBondContact O-N 3.39Å; L274-G277 PolarHBondContact O-N 2.86Å; L274-G277 VanDerWaalsContact O-N 3.17Å; L274-C278 PolarHBondContact O-N 3.23Å; L274-C278 PolarHBondContact O-SG 3.31Å; L274-C278 VanDerWaalsContact O-SG 3.36Å
275A96.2Very high93.9Very high50 Ų5084.4 Ų84.441%0.41351%0.51SS..Hα-helixtrans-60.8-44.1178.900000111.9G271 S272 G277 C278 L279G271-A275 WeakPolarHBondContact O-CB 3.43Å; G271-A275 PolarHBondContact O-N 3.05Å; S272-A275 PolarHBondContact O-N 2.8Å; A275-G277 VanDerWaalsContact C-N 3.34Å; A275-G277 PolarHBondContact O-N 2.88Å; A275-C278 PolarHBondContact O-N 3.42Å; A275-L279 VanDerWaalsContact O-CG 3.32Å; A275-L279 WeakPolarHBondContact O-CG 3.35Å; A275-L279 PolarHBondContact O-N 3.45Å
276L96.4Very high93.9Very high111 Ų11185.3 Ų85.358%0.58152%0.515SS*.Hα-helixtrans-61.2-41.7174-75.9170.4000112S272 L274 L279 A280S272-L276 WeakPolarHBondContact O-CB 3.47Å; S272-L276 WeakPolarHBondContact O-CG 3.34Å; S272-L276 PolarHBondContact O-N 2.98Å; L274-L276 PolarHBondContact O-N 3.39Å; L276-L279 PolarHBondContact O-N 3.48Å; L276-A280 WeakPolarHBondContact O-CB 3.39Å; L276-A280 PolarHBondContact O-N 3.46Å
277G96.5Very high93.7Very high38 Ų3885 Ų8539%0.39252%0.517SS..Hα-helixtrans-60.1-46.7174.300000112.4L273 L274 A275 L279 A280 V281L273-G277 PolarHBondContact O-N 3.07Å; L274-G277 PolarHBondContact O-N 2.86Å; L274-G277 VanDerWaalsContact O-N 3.17Å; A275-G277 VanDerWaalsContact C-N 3.34Å; A275-G277 PolarHBondContact O-N 2.88Å; G277-L279 PolarHBondContact O-N 2.95Å; G277-A280 PolarHBondContact O-N 2.97Å; G277-V281 WeakPolarHBondContact O-CG2 3.32Å; G277-V281 PolarHBondContact O-N 2.93Å
278C95.6Very high93.1Very high81 Ų8185.2 Ų85.255%0.54752%0.515SS..Hα-helixtrans-62.6-41.4176.5-68.20000112.4L274 A275 V281 G282L274-C278 PolarHBondContact O-N 3.23Å; L274-C278 PolarHBondContact O-SG 3.31Å; L274-C278 VanDerWaalsContact O-SG 3.36Å; A275-C278 PolarHBondContact O-N 3.42Å; C278-V281 PolarHBondContact O-N 3.46Å; C278-G282 PolarHBondContact O-N 2.91Å
279L95.6Very high92Very high112 Ų11287.6 Ų87.659%0.58653%0.527SS*.Hα-helixtrans-63.9-43175.9-72.5173.5000111.7A275 L276 G277 V281 G282 I283A275-L279 VanDerWaalsContact O-CG 3.32Å; A275-L279 WeakPolarHBondContact O-CG 3.35Å; A275-L279 PolarHBondContact O-N 3.45Å; L276-L279 PolarHBondContact O-N 3.48Å; G277-L279 PolarHBondContact O-N 2.95Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.46Å; L279-G282 PolarHBondContact O-N 3.41Å; L279-I283 WeakPolarHBondContact O-CB 3.31Å; L279-I283 VanDerWaalsContact O-CG1 3.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.97Å
280A94.2Very high90.6Very high61 Ų6188.3 Ų88.350%0.50454%0.539SS..Hα-helixtrans-60.7-43.5176.700000111.7L276 G277 W284L276-A280 WeakPolarHBondContact O-CB 3.39Å; L276-A280 PolarHBondContact O-N 3.46Å; G277-A280 PolarHBondContact O-N 2.97Å; A280-W284 VanDerWaalsContact O-CB 3.31Å; A280-W284 WeakPolarHBondContact O-CB 3.42Å; A280-W284 PolarHBondContact O-N 3.34Å
281V93.6Very high89Confident108 Ų10888.2 Ų88.266%0.65555%0.547SS*.Hα-helixtrans-65.2-40.8175.1174.30000111.6G277 C278 L279 W284 G285G277-V281 WeakPolarHBondContact O-CG2 3.32Å; G277-V281 PolarHBondContact O-N 2.93Å; C278-V281 PolarHBondContact O-N 3.46Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.46Å; V281-W284 PolarHBondContact O-N 2.83Å; V281-G285 PolarHBondContact O-N 2.93Å
282G92.8Very high87.1Confident38 Ų3889.5 Ų89.539%0.39256%0.559SS.*Hα-helixtrans-63.4-46176.700000112.8C278 L279 G285 L286C278-G282 PolarHBondContact O-N 2.91Å; L279-G282 PolarHBondContact O-N 3.41Å; G282-G285 PolarHBondContact O-N 3.45Å; G282-L286 WeakPolarHBondContact O-CG 3.42Å; G282-L286 PolarHBondContact O-N 3.47Å
283I92.9Very high85.1Confident107 Ų10789 Ų8955%0.54957%0.565SS.*Hα-helixtrans-62.4-45.1175.6-67164.8000110.2L279 G285 L286 V287L279-I283 WeakPolarHBondContact O-CB 3.31Å; L279-I283 VanDerWaalsContact O-CG1 3.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.97Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.48Å; I283-L286 PolarHBondContact O-N 2.96Å; I283-V287 HydrophobicContact CG2-CG2 4.35Å; I283-V287 WeakPolarHBondContact O-CG2 3.2Å; I283-V287 PolarHBondContact O-N 3.32Å
284W90.9Very high82.6Confident189 Ų18990 Ų9072%0.71658%0.581SS**Hα-helixtrans-57.7-46.7175.5-175.3-82.3000111.9A280 V281 L286 V287 C288A280-W284 VanDerWaalsContact O-CB 3.31Å; A280-W284 WeakPolarHBondContact O-CB 3.42Å; A280-W284 PolarHBondContact O-N 3.34Å; V281-W284 PolarHBondContact O-N 2.83Å; W284-L286 PolarHBondContact O-N 2.94Å; W284-V287 PolarHBondContact O-N 3.17Å; W284-C288 PolarHBondContact NE1-SG 3.32Å; W284-C288 WeakPolarHBondContact O-CB 3.23Å; W284-C288 PolarHBondContact O-N 3.25Å; W284-C288 PolarHBondContact O-SG 2.99Å; W284-C288 VanDerWaalsContact O-SG 3.41Å
285G89.1Confident80.3Confident31 Ų3188 Ų8832%0.3259%0.591SS.*Hα-helixtrans-59.9-45.2176.400000112.7V281 G282 I283 C288 C289V281-G285 PolarHBondContact O-N 2.93Å; G282-G285 PolarHBondContact O-N 3.45Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.48Å; G285-C288 PolarHBondContact O-N 2.94Å; G285-C289 VanDerWaalsContact O-CB 3.28Å; G285-C289 WeakPolarHBondContact O-CB 3.44Å; G285-C289 PolarHBondContact O-N 3.48Å; G285-C289 PolarHBondContact O-SG 3.37Å
286L85.3Confident77.9Confident118 Ų11890.8 Ų90.862%0.61861%0.614SS**Hα-helixtrans-62.6-44.8176-73.2172.7000112.1G282 I283 W284 C289 C290G282-L286 WeakPolarHBondContact O-CG 3.42Å; G282-L286 PolarHBondContact O-N 3.47Å; I283-L286 PolarHBondContact O-N 2.96Å; W284-L286 PolarHBondContact O-N 2.94Å; L286-C289 PolarHBondContact O-N 2.92Å; L286-C290 VanDerWaalsContact O-CB 3.23Å; L286-C290 WeakPolarHBondContact O-CB 3.37Å; L286-C290 PolarHBondContact O-N 2.88Å; L286-C290 PolarHBondContact O-SG 3.36Å
287V85.4Confident75.4Confident82 Ų8289.6 Ų89.650%0.49763%0.629SS.*Hα-helixtrans-63.6-44.8177.9172.50000111.1I283 W284 C289 C290 C291I283-V287 HydrophobicContact CG2-CG2 4.35Å; I283-V287 WeakPolarHBondContact O-CG2 3.2Å; I283-V287 PolarHBondContact O-N 3.32Å; W284-V287 PolarHBondContact O-N 3.17Å; V287-C289 PolarHBondContact O-N 2.96Å; V287-C290 PolarHBondContact O-N 3.41Å; V287-C291 WeakPolarHBondContact O-CB 3.28Å; V287-C291 PolarHBondContact O-N 3.39Å; V287-C291 PolarHBondContact O-SG 2.89Å; V287-C291 VanDerWaalsContact O-SG 3.39Å
288C78.3Confident72.6Confident67 Ų6791.9 Ų91.945%0.45365%0.652SS.*Hα-helixtrans-65.1-38.2176.6-71.60000112.7W284 G285 G292W284-C288 PolarHBondContact NE1-SG 3.32Å; W284-C288 WeakPolarHBondContact O-CB 3.23Å; W284-C288 PolarHBondContact O-N 3.25Å; W284-C288 PolarHBondContact O-SG 2.99Å; W284-C288 VanDerWaalsContact O-SG 3.41Å; G285-C288 PolarHBondContact O-N 2.94Å; C288-G292 WeakPolarHBondContact O-CA 3.37Å; C288-G292 PolarHBondContact O-N 3.47Å
289C72.3Confident70.1Confident102 Ų10292.5 Ų92.569%0.68966%0.663SS**Hα-helixtrans-72.2-38.2177.1-73.50000112.6G285 L286 V287G285-C289 VanDerWaalsContact O-CB 3.28Å; G285-C289 WeakPolarHBondContact O-CB 3.44Å; G285-C289 PolarHBondContact O-N 3.48Å; G285-C289 PolarHBondContact O-SG 3.37Å; L286-C289 PolarHBondContact O-N 2.92Å; V287-C289 PolarHBondContact O-N 2.96Å
290C66.3Low67.6Low108 Ų10899.2 Ų99.273%0.7368%0.681SS**Hα-helixtrans-78.5-26.3179.4-68.10000113L286 V287L286-C290 VanDerWaalsContact O-CB 3.23Å; L286-C290 WeakPolarHBondContact O-CB 3.37Å; L286-C290 PolarHBondContact O-N 2.88Å; L286-C290 PolarHBondContact O-SG 3.36Å; V287-C290 PolarHBondContact O-N 3.41Å
291C61.5Low64.9Low109 Ų10999.9 Ų99.974%0.73669%0.693SS**Hα-helixtrans-100-6.2177.9-61.10000113.8V287V287-C291 WeakPolarHBondContact O-CB 3.28Å; V287-C291 PolarHBondContact O-N 3.39Å; V287-C291 PolarHBondContact O-SG 2.89Å; V287-C291 VanDerWaalsContact O-SG 3.39Å
292G57.4Low62.3Low64 Ų6499.3 Ų99.366%0.6670%0.7SS**SBendtrans-970.1-177.400000115.7C288C288-G292 WeakPolarHBondContact O-CA 3.37Å; C288-G292 PolarHBondContact O-N 3.47Å
293G52.9Low59.8Low59 Ų59107.6 Ų107.661%0.60873%0.726SS**  trans-105.380.1-177.100000114
294S44.9Very low57Low130 Ų130106.2 Ų106.291%0.90974%0.737SS**  trans-178.2122.1148.1-81.80000111.4
295G47.6Very low54.6Low84 Ų84108.6 Ų108.687%0.86675%0.748SS**  trans141.962.6161.400000116.6
296A47Very low52.2Low107 Ų107110.8 Ų110.888%0.88477%0.771SS**  trans-78.3139.4164.700000111.4
297G44.2Very low49.9Very low87 Ų87113.6 Ų113.690%0.89779%0.787SS**  trans97.1125.7147.300000117.9
298G37.9Very low47.7Very low86 Ų86113.1 Ų113.189%0.88780%0.798SS**  trans158.7119.7162.300000113.9
299A41.3Very low45.7Very low93 Ų93114 Ų11477%0.76982%0.818SS**  trans-93.6158.2-165.300000115.2
300R43Very low43.9Very low254 Ų254112.5 Ų112.596%0.95882%0.82SS**  trans49.5134.9140.5-72.1179.3166.8177-4.2121.9
301G37.8Very low42.5Very low74 Ų74114.8 Ų114.876%0.76383%0.831SS**  trans119.797.8148.300000113.2
302A39.8Very low41.3Very low97 Ų97113 Ų11380%0.80283%0.831SS**  65105.281.200000114.7
303F39Very low40.3Very low212 Ų212114 Ų11493%0.9384%0.841SS**  trans36.7124148.7-82.4-90.7000121
304G35.2Very low39.4Very low77 Ų77114.8 Ų114.879%0.79485%0.849SS**  trans-177.4110.9157.600000113
305Y39.4Very low39Very low239 Ų239113.3 Ų113.394%0.93784%0.844SS**  trans-56.6146.4173.3-100.9-104.8000112.9
306G40.4Very low38.5Very low78 Ų78115.5 Ų115.580%0.80485%0.845SS**  trans-171.386.9170.500000112.2
307N37.3Very low37.9Very low177 Ų177114.3 Ų114.395%0.94784%0.843SS**  trans-68.4133.3173.2-154.618.1000109.5
308G38.3Very low37.5Very low72 Ų72117.6 Ų117.674%0.74284%0.84SS**  trans166.283.7174.900000116.3
309G36.2Very low37.7Very low85 Ų85121.6 Ų121.688%0.87684%0.84SS**  trans31.4128.7142.300000121.7
310G34.1Very low37.2Very low70 Ų70121.4 Ų121.472%0.72284%0.839SS**  trans135.3100.9135.500000116.6
311V36.9Very low36.8Very low157 Ų157114.2 Ų114.295%0.95283%0.827SS**  trans55.3121.8138.4-159.30000118.8
312G37.2Very low36.7Very low72 Ų72119.2 Ų119.274%0.74283%0.831SS**  trans138.992.4136.300000116.2
313G35.1Very low36.4Very low85 Ų85121.2 Ų121.288%0.87683%0.827SS**  trans85.3135.3135.700000118
314G34.5Very low36.1Very low75 Ų75122.2 Ų122.277%0.77382%0.824SS**  trans103.686.3146.300000115.6
315A37.1Very low36.3Very low98 Ų98126.7 Ų126.781%0.8182%0.824SS**  trans39.2111.8133.200000118.6
316C36.1Very low36.2Very low131 Ų131122.6 Ų122.689%0.88582%0.819SS**  -153.5114.8127-98.80000107.3
317G35.5Very low36.1Very low82 Ų82123.8 Ų123.885%0.84582%0.821SS**  trans-82.7111.5165.700000107.7
318D34.9Very low36Very low155 Ų155122 Ų12283%0.82982%0.816SS**  trans-122.8140.3155.4-96.6-36.3000109.4
319L41.7Very low35.8Very low170 Ų170122.5 Ų122.589%0.8981%0.814SS**  trans-54.7135.1-171.3-73.6128.8000114.8
320A31.9Very low36.1Very low89 Ų89124.8 Ų124.874%0.73681%0.813SS**  trans-166.2103.9140.600000106.7
321S35Very low36.1Very low103 Ų103124.9 Ų124.972%0.7281%0.814SS**  101.5118.98865.20000110.9
322E34.4Very low35.8Very low179 Ų179123.9 Ų123.984%0.83681%0.813SS**  trans94.7144.9137.1-142.2167-151.900119.5
323I33.7Very low35.9Very low139 Ų139130.4 Ų130.471%0.71382%0.821SS**  trans91105.2165.9-44.8166000115.4
324R33.6Very low35.8Very low233 Ų233131 Ų13188%0.87982%0.817SS**  176.8141.984.4-144.6165.3-173.9118.2-1.1112.2
325E39.4Very low36Very low171 Ų171133.8 Ų133.880%0.79983%0.825SS**  trans-70.3157166.2-71.6166.6142.800112.3
326D36.4Very low35.8Very low153 Ų153132.8 Ų132.882%0.81882%0.824SS**  trans68.8105.9156.5-56.7-28.1000120.8
327A38Very low36Very low104 Ų104138.7 Ų138.786%0.8683%0.828SS**  trans-148.1116.4134.200000110.6
328V36.2Very low35.8Very low138 Ų138138.3 Ų138.384%0.83682%0.824SS**  trans-70.2127.5171.31650000110.6
329A33.9Very low35.8Very low84 Ų84136.5 Ų136.569%0.69482%0.823SS**  trans40.4145.714500000121
330P41.9Very low35.3Very low132 Ų132139.6 Ų139.686%0.85782%0.823SS**  -140.415870.630.6-9.8000114.9
331G35.6Very low35.5Very low72 Ų72141.5 Ų141.574%0.74283%0.826SS**  trans-76.1166-172.500000115.5
332C29.8Very low35.6Very low137 Ų137142.9 Ų142.993%0.92683%0.83SS**  trans-154.7137.9148.1-103.40000109.3
333K38.8Very low35.6Very low209 Ų209142.3 Ų142.391%0.90983%0.827SS**  trans-65.9133.9176.6-63.6174.9177.5176.80110.2
334A32.7Very low36Very low97 Ų97142.3 Ų142.380%0.80283%0.828SS**  trans-169.7126.8141.500000111.8
335S39.1Very low36.2Very low134 Ų134138.8 Ų138.894%0.93783%0.825SS**  trans9119.2149.7-1590000118.6
336G32.1Very low36.4Very low77 Ų77134.4 Ų134.479%0.79483%0.826SS**  trans-150.2104.7170.200000111.2G338G336-G338 PolarHBondContact O-N 2.82Å
337R41.4Very low36.6Very low254 Ų254136.3 Ų136.396%0.95882%0.823SS**  trans-57104.3178.6-167180-158.11724.1111.2S339R337-S339 PolarHBondContact O-N 3.46Å
338G30.5Very low36.8Very low75 Ų75137.4 Ų137.477%0.77382%0.822SS**  trans-78.3105.5172.800000111.8G336G336-G338 PolarHBondContact O-N 2.82Å
339S36.5Very low37Very low116 Ų116137 Ų13781%0.81182%0.82SS**  trans-66.5122.6160.4177.20000108.7R337R337-S339 PolarHBondContact O-N 3.46Å
340R31.2Very low37.2Very low235 Ų235141.3 Ų141.389%0.88783%0.825SS**  trans-110.1116.4172.1-157.2176.4-171.8-178.12.1109.1T342R340-T342 PolarHBondContact O-N 2.9Å
341V34.4Very low36.6Very low130 Ų130142.8 Ų142.879%0.78883%0.826SS**  trans-64.1122168.6174.50000108.8
342T37.5Very low36.4Very low132 Ų132145 Ų14581%0.8183%0.825SS**  trans-87.2125.1167.939.20000109.6R340R340-T342 PolarHBondContact O-N 2.9Å
343H35.7Very low36.5Very low167 Ų167144 Ų14477%0.77382%0.819SS**  trans-119.1146.1157.8-153.4-92.8000110.1
344L40.6Very low36.1Very low139 Ų139144.2 Ų144.273%0.72881%0.814SS**  trans-44.4129.2-174-81.561.4000115.2
345L38Very low36Very low158 Ų158145 Ų14583%0.82781%0.814SS**  -174.3118.7122.8-94.1161.7000107.6Y347L345-Y347 PolarHBondContact O-N 3.49Å
346G44.1Very low36Very low79 Ų79145.6 Ų145.681%0.81481%0.806SS**  trans-76.982-167.400000114.9
347Y40.9Very low36.1Very low193 Ų193153.3 Ų153.376%0.75781%0.811SS**  trans-130.1133.3156.7-62.5-78.3000109.3L345 T349L345-Y347 PolarHBondContact O-N 3.49Å; Y347-T349 PolarHBondContact O-N 3.36Å
348P42Very low35.6Very low128 Ų128152.4 Ų152.483%0.83181%0.808SS**  trans-67.8116.5169.727.1-30.3000108.7Q350P348-Q350 PolarHBondContact O-N 3.34Å
349T40Very low35.8Very low129 Ų129158.6 Ų158.679%0.79181%0.813SS**  trans-78112.5170.5460000108.6Y347 N351Y347-T349 PolarHBondContact O-N 3.36Å; T349-N351 PolarHBondContact O-N 2.9Å
350Q37.6Very low35.6Very low175 Ų175163.9 Ų163.982%0.81882%0.817SS**  trans-71.8115.7165.7-80.8-175.78.800108.5P348 V352P348-Q350 PolarHBondContact O-N 3.34Å; Q350-V352 PolarHBondContact O-N 3.29Å
351N30.5Very low35.7Very low162 Ų162156.5 Ų156.587%0.86681%0.807SS**  trans-70.497.1168.2-97.3-16.3000109.2T349 S353T349-N351 PolarHBondContact O-N 2.9Å; N351-S353 PolarHBondContact O-N 3.49Å
352V31.2Very low35.7Very low119 Ų119156.2 Ų156.272%0.72181%0.807SS**  trans-88.995.7168.2-177.30000108.2Q350 R354Q350-V352 PolarHBondContact O-N 3.29Å; V352-R354 PolarHBondContact O-N 3.45Å
353S31.8Very low35.6Very low116 Ų116155.3 Ų155.381%0.81180%0.804SS**  trans-77100.2168.557.50000109.5N351 S355N351-S353 PolarHBondContact O-N 3.49Å; S353-S355 PolarHBondContact O-N 2.88Å
354R31.4Very low35.5Very low213 Ų213153.5 Ų153.580%0.80481%0.807SS**  trans-8497.4172.9-162.5-178.1-158.6-163.46.6109.7V352 L356V352-R354 PolarHBondContact O-N 3.45Å; R354-L356 PolarHBondContact O-N 3.41Å
355S30.6Very low35Very low114 Ų114153.1 Ų153.180%0.79781%0.814SS**  trans-84.899.8167.363.50000110S353 R357S353-S355 PolarHBondContact O-N 2.88Å; S355-R357 PolarHBondContact O-N 3.42Å
356L38.9Very low34.6Very low146 Ų146149.3 Ų149.376%0.76481%0.813SS**  trans-76.5104.6164.3-95.8147000108.6R354R354-L356 PolarHBondContact O-N 3.41Å
357R32.8Very low34Very low240 Ų240149 Ų14991%0.90681%0.81SS**  trans-119.5111163-109.5-170.6-168.2-164.44.9111.6S355S355-R357 PolarHBondContact O-N 3.42Å
358R31.9Very low33.7Very low235 Ų235146.2 Ų146.289%0.88782%0.815SS**  trans10.3131.6149.7-73.4178.1174.8178.7-2.5119.6
359K34.7Very low33.2Very low205 Ų205148.6 Ų148.689%0.89182%0.816SS**  trans-21.4133.6149.5-72177174.7179.90113.9
360Y31.1Very low32.7Very low226 Ų226149.8 Ų149.889%0.88682%0.817SS**  trans-129.4127.2150.5-100.8-89.4000109.7
361A33.8Very low32.4Very low81 Ų81147.8 Ų147.867%0.66982%0.817SS**PPolyproline II helixtrans-74154.9165.700000110
362P35.5Very low32.4Very low123 Ų123143.8 Ų143.880%0.79981%0.806SS**PPolyproline II helixtrans-77.4142.1174.430.9-32000111.4
363P34.3Very low32.3Very low114 Ų114146.1 Ų146.174%0.7481%0.814SS**PPolyproline II helixtrans-83.1162.3168.833.2-30.2000111.8
364P34.1Very low32.1Very low128 Ų128145 Ų14583%0.83181%0.812SS**PPolyproline II helixtrans-83146.3-159.232.9-33.8000113.7
365C29.3Very low32.6Very low132 Ų132140.5 Ų140.589%0.89281%0.809SS**PPolyproline II helixtrans-75.1122.3168.3-60.90000109.9
366G29.4Very low32.4Very low78 Ų78140.9 Ų140.980%0.80481%0.811SS**PPolyproline II helixtrans-77.3134.2163.100000110.1
367G31.7Very low31.9Very low72 Ų72140.2 Ų140.274%0.74281%0.813SS**  trans-65.7-174.3178.200000114.3
368P35.2Very low31.8Very low134 Ų134133.5 Ų133.587%0.8781%0.809SS**  -128.8152.162.830.4-14.2000114.9
369E31.6Very low31.7Very low179 Ų179127.2 Ų127.284%0.83681%0.807SS**  trans-74.2143.2169.8-63.1-179.5148.900110.6
370N30.3Very low31.5Very low154 Ų154122.1 Ų122.182%0.82480%0.803SS**  trans-167.7111.7131.4-89.3-37.1000111.9
371V31.4Very low31.6Very low133 Ų133116.1 Ų116.181%0.80680%0.8SS**  trans72.2124.6131-174.80000121.1
372A29.4Very low31.3Very low78 Ų78118.4 Ų118.465%0.64581%0.81SS**  trans97.4105.2144.800000121.4
373L28.9Very low31Very low168 Ų168121.7 Ų121.788%0.8882%0.815SS**  60116.8118.2-67.5161.2000121.3
374A28.7Very low30.9Very low93 Ų93121.1 Ų121.177%0.76982%0.82SS**  trans80.4151.6133.400000119.8
375P40.9Very low30.9Very low117 Ų117118 Ų11876%0.7681%0.81SS**  trans-104.6156.9-146.938.7-30.7000113.2
376C26.6Very low31.2Very low122 Ų122118 Ų11882%0.82481%0.809SS**  trans-171128.7148.5-104.30000112.8
377T29.2Very low31.4Very low133 Ų133119.3 Ų119.382%0.81681%0.806SS**  trans20137.8141.958.10000122.5
378A29.5Very low31.5Very low99 Ų99120.3 Ų120.382%0.81880%0.799SS**  trans108.2122142.200000118.2
379A30.2Very low31.3Very low103 Ų103120.2 Ų120.285%0.85180%0.796SS**  trans53.4114144.900000120.3
380A29.6Very low31.4Very low98 Ų98121.4 Ų121.481%0.8179%0.794SS**  -170126.7129.800000110.4
381A33Very low31.5Very low99 Ų99120 Ų12082%0.81879%0.79SS**  trans-74.5141.6166.400000110.1
382C28Very low31.4Very low129 Ų129123.4 Ų123.487%0.87280%0.795SS**  trans-135.497.3159.1-65.80000108.1
383E30.7Very low31.7Very low193 Ų193125.7 Ų125.790%0.90280%0.8SS**  trans-62.7134163.9-76.9-166.8141.200110G385E383-G385 PolarHBondContact O-N 3.04Å
384A31.9Very low31.7Very low102 Ų102127.5 Ų127.584%0.84380%0.801SS**  trans-81.3105.2168.300000109
385G34.1Very low32Very low62 Ų62128.4 Ų128.464%0.63980%0.802SS**PPolyproline II helixtrans-70.3147.8164.200000111E383 S387E383-G385 PolarHBondContact O-N 3.04Å; G385-S387 PolarHBondContact O-N 2.89Å
386P35.7Very low31.6Very low131 Ų131127.1 Ų127.185%0.85180%0.801SS**PPolyproline II helixtrans-76124.5176.228.6-30.3000111
387S32.4Very low32.1Very low106 Ų106130.1 Ų130.174%0.74180%0.803SS**PPolyproline II helixtrans-66.6140.2174-600000112.1G385G385-S387 PolarHBondContact O-N 2.89Å
388P33.8Very low32.3Very low94 Ų94129.3 Ų129.361%0.6180%0.8SS**PPolyproline II helixtrans-74.4129.8173.428.6-31.3000111.2Y390P388-Y390 HydrophobicContact CB-CE2 4.43Å; P388-Y390 HydrophobicContact CG-CE2 4.13Å
389V31.6Very low32.4Very low131 Ų131129.2 Ų129.279%0.79480%0.8SS**  trans-89.1114.4172.71780000108.8
390Y32.9Very low32.5Very low204 Ų204132.2 Ų132.280%0.880%0.801SS**  trans-86116.6170.9-63.3-84.4000110.1P388P388-Y390 HydrophobicContact CB-CE2 4.43Å; P388-Y390 HydrophobicContact CG-CE2 4.13Å
391V33.5Very low32.4Very low124 Ų124132.9 Ų132.975%0.75280%0.798SS**  trans-86111.6171-179.40000108.7V393V391-V393 PolarHBondContact O-N 2.96Å
392K28.8Very low32.5Very low205 Ų205133.1 Ų133.189%0.89180%0.8SS**  trans-81.3100174.1-164.9172.8-174.2172.80109.1K394K392-K394 PolarHBondContact O-N 3.45Å
393V35.5Very low32.8Very low126 Ų126136.7 Ų136.776%0.76481%0.805SS**  trans-72119.9171.4-177.10000108.3V391 S395V391-V393 PolarHBondContact O-N 2.96Å; V393-S395 PolarHBondContact O-N 2.9Å
394K30.2Very low32.8Very low206 Ų206130.9 Ų130.990%0.89680%0.796SS**  trans-84.8107.8172.6-131.2179.1-178.3-174.90107.2K392K392-K394 PolarHBondContact O-N 3.45Å
395S33.2Very low33.2Very low112 Ų112131.8 Ų131.878%0.78379%0.793SS**PPolyproline II helixtrans-65.6133.9172.1-169.70000109.4V393V393-S395 PolarHBondContact O-N 2.9Å
396A32.4Very low33.1Very low91 Ų91134.6 Ų134.675%0.75280%0.798SS**PPolyproline II helixtrans-66140.7168.800000109.8
397E39.2Very low32.8Very low184 Ų184136.2 Ų136.286%0.8679%0.794SS**PPolyproline II helixtrans-71.2135.7179-154.9161.115000110.1
398P33Very low32.7Very low117 Ų117137.1 Ų137.176%0.7680%0.799SS**PPolyproline II helixtrans-75.5139.7172.629.3-29.3000110.4D400P398-D400 PolarHBondContact O-N 3.26Å
399A31.9Very low32.6Very low97 Ų97141.7 Ų141.780%0.80281%0.81SS**PPolyproline II helixtrans-62.7131.2175.500000111
400D30.4Very low32.8Very low165 Ų165143.5 Ų143.588%0.88282%0.815SS**PPolyproline II helixtrans-64.5133.3-177.7-147-5.1000111.6P398P398-D400 PolarHBondContact O-N 3.26Å
401C28.8Very low32.6Very low112 Ų112137.4 Ų137.476%0.75781%0.814SS**PPolyproline II helixtrans-92.5134.8174.2-73.50000109.2
402A33.8Very low32.5Very low104 Ų104139.6 Ų139.686%0.8682%0.82SS**PPolyproline II helixtrans-59.5133.9173.700000112
403E34.8Very low32.6Very low205 Ų205137.3 Ų137.396%0.95882%0.817SS**PPolyproline II helixtrans-66.5143.3176.2-73.5179.7137.500113.6
404G31.1Very low32.7Very low70 Ų70141.2 Ų141.272%0.72284%0.841SS**  trans-165.3139.2157.200000109.5
405P39.3Very low32.8Very low121 Ų121138 Ų13879%0.78684%0.838SS**  trans-107.7167-141.538.9-30.3000115.2
406V32Very low32.8Very low122 Ų122139.3 Ų139.374%0.73984%0.841SS**  trans91.798.8150.7-1700000118.7
407Q30.3Very low32.8Very low164 Ų164142 Ų14277%0.76685%0.846SS**  169119.8104.2-94.4-117.5-17.100111.9
408C29.7Very low32.4Very low126 Ų126139.5 Ų139.585%0.85185%0.845SS**  trans-71.7125.9164-69.90000110.2
409K32.5Very low32.4Very low190 Ų190140.9 Ų140.983%0.82685%0.85SS**  trans-133.9124.6153-101.6-176.7179.3177.60110.3
410N35.1Very low32.4Very low169 Ų169143.9 Ų143.990%0.90485%0.853SS**  trans-51.3146170.6-61.5-26.1000112
411G30.1Very low32.5Very low76 Ų76142.4 Ų142.478%0.78485%0.851SS**  trans17878.317000000113.6
412L30.2Very low32.8Very low169 Ų169144.7 Ų144.789%0.88586%0.859SS**  trans-60.6133.5155.9-162.499.2000108.7
413L31.7Very low32.8Very low157 Ų157148.1 Ų148.182%0.82286%0.859SS**  trans177.3126.3141.9-99151.8000113.4
414V36.2Very low32.6Very low208 Ų208142.9 Ų142.9100%1.26185%0.85SS**  trans71.70164.8-162.30000117.9

Retrieved 414 of 414 residues in 579.5 ms (Link to these results)