A0A077ZPJ1_TRITR Loading...

TrbC Ftype and TraU domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 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
1M53.7Low58.6Low165 Ų16579.5 Ų79.581%0.81348%0.482SS*.  0128.30-61.6175.9-139.500107.2V3 L18 I20M1-V3 PolarHBondContact O-N 3.43Å; M1-L18 HydrophobicContact CB-CD2 4.31Å; M1-L18 HydrophobicContact SD-CB 4.48Å; M1-L18 HydrophobicContact SD-CD1 4.48Å; M1-I20 HydrophobicContact SD-CG2 3.62Å
2P62.9Low58Low67 Ų6785.3 Ų85.344%0.43551%0.508SS..  trans-71.1129.9-179.729.3-31.5000109.5A19P2-A19 HydrophobicContact CG-CB 3.84Å; P2-A19 PolarHBondContact O-N 3.27Å; P2-A19 VanDerWaalsContact O-N 3.08Å
3V62.9Low57.9Low91 Ų9190.4 Ų90.455%0.55252%0.519SS*.EExtended strand (participates in β ladder)trans-70.3129.1170.2178.80000107.7M1 I16 L18M1-V3 PolarHBondContact O-N 3.43Å; V3-I16 HydrophobicContact CG1-CG2 3.54Å; V3-L18 HydrophobicContact CG2-CD2 3.95Å
4Q64Low58.1Low10 Ų1097.9 Ų97.95%0.04754%0.535CS..EExtended strand (participates in β ladder)trans-117.8148-179.2-62.3-67.5-35.200109.9I16 G17 A19 G197 V202 M264Q4-I16 WeakPolarHBondContact O-CA 3.42Å; Q4-G17 PolarHBondContact N-O 3.33Å; Q4-G17 PolarHBondContact O-N 3.44Å; Q4-A19 HydrophobicContact CG-CB 3.62Å; Q4-G197 PolarHBondContact NE2-O 3.34Å; Q4-V202 HydrophobicContact CG-CB 4.4Å; Q4-V202 HydrophobicContact CG-CG2 3.96Å; Q4-M264 HydrophobicContact CB-SD 3.78Å
5I64.5Low58.5Low63 Ų63100.3 Ų100.332%0.32353%0.533SS..EExtended strand (participates in β ladder)trans-122.599.1-176.2-56.7179.7000107.7R14 R15 N200I5-R14 HydrophobicContact CG2-CB 3.8Å; I5-R14 HydrophobicContact CG2-CG 3.86Å; I5-R15 CarbonylContact C-O 3.58Å; I5-R15 WeakPolarHBondContact CA-O 3.25Å; I5-N200 PolarHBondContact O-OD1 3.15Å
6C63.4Low58.8Low9 Ų9100.8 Ų100.86%0.06154%0.535CS..EExtended strand (participates in β ladder)trans-92.9136.6178.7-64.20000112.3A8 R15 C203 M264C6-A8 PolarHBondContact O-N 2.88Å; C6-R15 HydrophobicContact CB-CB 4.39Å; C6-R15 PolarHBondContact N-O 3.09Å; C6-R15 PolarHBondContact O-N 2.65Å; C6-C203 WeakPolarHBondContact CA-SG 3.48Å; C6-C203 HydrophobicContact CB-CB 3.64Å; C6-C203 WeakPolarHBondContact CB-SG 2.9Å; C6-C203 WeakPolarHBondContact SG-CA 3.41Å; C6-C203 WeakPolarHBondContact SG-CB 3.2Å; C6-C203 CovalentContact SG-SG 2Å; C6-C203 PolarHBondContact SG-SG 3.47Å; C6-M264 HydrophobicContact CB-CE 3.65Å; C6-M264 HydrophobicContact CB-SD 4.14Å; C6-M264 VanDerWaalsContact SG-CE 3.52Å; C6-M264 PolarHBondContact SG-SD 2.88Å
7P61.6Low59.2Low94 Ų9495.2 Ų95.261%0.6151%0.506SS*.EExtended strand (participates in β ladder)trans-68.1126.5166.228.9-31.1000109.2
8A57.3Low59.6Low17 Ų1793.2 Ų93.214%0.1450%0.496CS..PPolyproline II helixtrans-91.9134.9168.100000109.5C6 F13 R15C6-A8 PolarHBondContact O-N 2.88Å; A8-F13 HydrophobicContact CB-CB 4.45Å; A8-F13 PolarHBondContact N-O 2.97Å; A8-F13 VanDerWaalsContact N-O 3.15Å; A8-R15 HydrophobicContact CB-CG 4.09Å
9P54.8Low59.9Low125 Ų12588.5 Ų88.581%0.81247%0.471SS*.SBendtrans-72.3144.3177.527.1-31.1000111.6
10P50Low60.2Low113 Ų11385.4 Ų85.473%0.73445%0.454SS*.SBendcis-103.9160.9-44.734.1-22.1000112.9
11P49Very low60.6Low120 Ų12083 Ų8378%0.77945%0.45SS*.SBendcis-122.714.2-38.732.8-15000113.5
12L52.3Low61.5Low150 Ų15076.9 Ų76.979%0.78542%0.418SS*.SBendtrans-104.8-10.5-172.3-79.1166.7000115.8
13F56.5Low62.2Low151 Ų15176.7 Ų76.766%0.66241%0.409SS*.  trans-107.3123.2-170.3-57.7-71.6000112.1A8A8-F13 HydrophobicContact CB-CB 4.45Å; A8-F13 PolarHBondContact N-O 2.97Å; A8-F13 VanDerWaalsContact N-O 3.15Å
14R61Low62.9Low196 Ų19672.6 Ų72.674%0.7438%0.384SS*.EExtended strand (participates in β ladder)trans-91.9121.2166.6-71.6179.5-175.8-150.44.5108.3I5I5-R14 HydrophobicContact CG2-CB 3.8Å; I5-R14 HydrophobicContact CG2-CG 3.86Å
15R63.4Low63.7Low133 Ų13372.3 Ų72.350%0.50238%0.383SS..EExtended strand (participates in β ladder)trans-84.4114.1169.3-76.9179.5-176.6-158.84.3107.7I5 C6 A8 M264 L266I5-R15 CarbonylContact C-O 3.58Å; I5-R15 WeakPolarHBondContact CA-O 3.25Å; C6-R15 HydrophobicContact CB-CB 4.39Å; C6-R15 PolarHBondContact N-O 3.09Å; C6-R15 PolarHBondContact O-N 2.65Å; A8-R15 HydrophobicContact CB-CG 4.09Å; R15-M264 HydrophobicContact CB-CE 3.54Å; R15-M264 WeakPolarHBondContact O-CE 3.44Å; R15-L266 HydrophobicContact CB-CD2 3.62Å; R15-L266 HydrophobicContact CG-CD2 4.08Å
16I64Low64.5Low109 Ų10970 Ų7056%0.55937%0.37SS*.EExtended strand (participates in β ladder)trans-90.6125171.9-58.3175.1000106.7V3 Q4V3-I16 HydrophobicContact CG1-CG2 3.54Å; Q4-I16 WeakPolarHBondContact O-CA 3.42Å
17G64.7Low65.7Low5 Ų569.5 Ų69.55%0.05237%0.368CS..EExtended strand (participates in β ladder)trans-145.4164.5177.600000113.2Q4 M265Q4-G17 PolarHBondContact N-O 3.33Å; Q4-G17 PolarHBondContact O-N 3.44Å; G17-M265 CarbonylContact C-O 3.59Å; G17-M265 WeakPolarHBondContact CA-O 3.32Å
18L66.8Low66.9Low60 Ų6065.9 Ų65.931%0.31434%0.343SS..EExtended strand (participates in β ladder)trans-90.8126.8174.3-67.5172.4000108.9M1 V3 I20 M265M1-L18 HydrophobicContact CB-CD2 4.31Å; M1-L18 HydrophobicContact SD-CB 4.48Å; M1-L18 HydrophobicContact SD-CD1 4.48Å; V3-L18 HydrophobicContact CG2-CD2 3.95Å; L18-I20 PolarHBondContact O-N 3.5Å; L18-M265 PolarHBondContact N-O 3.15Å; L18-M265 PolarHBondContact O-N 3.34Å
19A64.9Low68.5Low4 Ų465.1 Ų65.13%0.03334%0.336CS..EExtended strand (participates in β ladder)trans-76.1120.3171.900000109.7P2 Q4 V202 L262 L263P2-A19 HydrophobicContact CG-CB 3.84Å; P2-A19 PolarHBondContact O-N 3.27Å; P2-A19 VanDerWaalsContact O-N 3.08Å; Q4-A19 HydrophobicContact CG-CB 3.62Å; A19-V202 HydrophobicContact CB-CG2 4.14Å; A19-L262 HydrophobicContact CB-CD2 3.47Å; A19-L262 VanDerWaalsContact CB-CD2 3.47Å; A19-L263 WeakPolarHBondContact CA-O 3.18Å
20I66.9Low70.2Confident25 Ų2559.1 Ų59.113%0.12830%0.298CS..EExtended strand (participates in β ladder)trans-125.2130.2179.960.8113.5000110.3M1 L18 Y22 L262 L263 M265M1-I20 HydrophobicContact SD-CG2 3.62Å; L18-I20 PolarHBondContact O-N 3.5Å; I20-Y22 HydrophobicContact CD1-CD1 4.45Å; I20-L262 CarbonylContact O-C 3.49Å; I20-L262 VanDerWaalsContact O-CA 3.3Å; I20-L262 WeakPolarHBondContact O-CA 3.38Å; I20-L263 HydrophobicContact CD1-CB 3.76Å; I20-L263 HydrophobicContact CD1-CD1 3.86Å; I20-L263 HydrophobicContact CD1-CG 4.32Å; I20-L263 HydrophobicContact CG1-CB 3.88Å; I20-L263 WeakPolarHBondContact CG1-O 3.05Å; I20-L263 PolarHBondContact N-O 2.93Å; I20-L263 PolarHBondContact O-N 3.43Å; I20-M265 HydrophobicContact CB-CE 3.55Å; I20-M265 HydrophobicContact CB-SD 4Å; I20-M265 HydrophobicContact CD1-CE 3.1Å; I20-M265 HydrophobicContact CD1-CG 4.34Å; I20-M265 HydrophobicContact CD1-SD 4.24Å; I20-M265 HydrophobicContact CG1-CE 3.12Å; I20-M265 HydrophobicContact CG1-CG 3.79Å; I20-M265 HydrophobicContact CG1-SD 3.63Å; I20-M265 HydrophobicContact CG2-CE 3.41Å; I20-M265 VanDerWaalsContact CG2-CE 3.41Å; I20-M265 HydrophobicContact CG2-CG 4.38Å; I20-M265 HydrophobicContact CG2-SD 3.3Å; I20-M265 WeakPolarHBondContact CG2-SD 3.48Å
21G68.5Low72.1Confident36 Ų3653.8 Ų53.837%0.37126%0.263SS..EExtended strand (participates in β ladder)trans-101.5130.217200000109.9P261G21-P261 VanDerWaalsContact CA-O 3.24Å; G21-P261 WeakPolarHBondContact CA-O 3.04Å
22Y72.4Confident74Confident37 Ų3748.1 Ų48.115%0.14523%0.226CC..  trans-122.6161.417071.8-74.8000108.9I20 E24 T78 I84 K260 P261 L263I20-Y22 HydrophobicContact CD1-CD1 4.45Å; Y22-E24 HydrophobicContact CD2-CB 4.23Å; Y22-E24 HydrophobicContact CE2-CB 3.57Å; Y22-E24 HydrophobicContact CE2-CG 4.17Å; Y22-E24 VanDerWaalsContact OH-CD 3.24Å; Y22-E24 PolarHBondContact OH-OE1 3.41Å; Y22-E24 PolarHBondContact OH-OE2 3.48Å; Y22-T78 HydrophobicContact CE2-CG2 4.03Å; Y22-I84 HydrophobicContact CD1-CD1 3.97Å; Y22-I84 HydrophobicContact CD2-CD1 3.69Å; Y22-I84 HydrophobicContact CE1-CD1 3.75Å; Y22-I84 HydrophobicContact CE2-CD1 3.41Å; Y22-I84 VanDerWaalsContact CE2-CD1 3.41Å; Y22-I84 HydrophobicContact CG-CD1 3.95Å; Y22-I84 VanDerWaalsContact CZ-CD1 3.45Å; Y22-K260 VanDerWaalsContact O-CA 3.26Å; Y22-K260 WeakPolarHBondContact O-CA 3.04Å; Y22-K260 WeakPolarHBondContact O-CG 3.35Å; Y22-P261 HydrophobicContact CD1-CG 4.14Å; Y22-P261 HydrophobicContact CE1-CB 4.48Å; Y22-P261 HydrophobicContact CE1-CG 3.54Å; Y22-P261 HydrophobicContact CE2-CG 4.38Å; Y22-P261 PolarHBondContact N-O 3.22Å; Y22-P261 WeakPolarHBondContact O-CD 3.49Å; Y22-L263 HydrophobicContact CD1-CD1 3.61Å; Y22-L263 HydrophobicContact CD1-CG 4.15Å; Y22-L263 HydrophobicContact CE1-CD1 3.14Å; Y22-L263 HydrophobicContact CE1-CD2 4.41Å; Y22-L263 HydrophobicContact CE1-CG 3.61Å
23W77.9Confident75.3Confident63 Ų6342.5 Ų42.524%0.23919%0.194CC..  trans-90.7118.2174.1-70.698.6000108.6R215 R217 W258 K260W23-R215 VanDerWaalsContact CZ3-O 3.26Å; W23-R215 WeakPolarHBondContact CZ3-O 3.12Å; W23-R217 VanDerWaalsContact CE2-CZ 3.41Å; W23-R217 HydrophobicContact CE3-CB 4.37Å; W23-R217 HydrophobicContact CE3-CG 4.17Å; W23-R217 HydrophobicContact CH2-CG 3.63Å; W23-R217 VanDerWaalsContact CH2-NE 3.32Å; W23-R217 HydrophobicContact CZ2-CG 4.28Å; W23-R217 HydrophobicContact CZ3-CB 3.98Å; W23-R217 HydrophobicContact CZ3-CG 3.55Å; W23-W258 HydrophobicContact CB-CE3 4.02Å; W23-W258 HydrophobicContact CE3-CB 4.11Å; W23-K260 HydrophobicContact CD2-CB 3.95Å; W23-K260 HydrophobicContact CD2-CD 4.5Å; W23-K260 HydrophobicContact CD2-CG 4.2Å; W23-K260 HydrophobicContact CE3-CB 3.74Å; W23-K260 HydrophobicContact CE3-CG 4.49Å; W23-K260 HydrophobicContact CH2-CB 3.85Å; W23-K260 HydrophobicContact CH2-CD 4.32Å; W23-K260 HydrophobicContact CZ2-CB 4.05Å; W23-K260 HydrophobicContact CZ2-CD 3.78Å; W23-K260 HydrophobicContact CZ2-CG 4.28Å; W23-K260 HydrophobicContact CZ3-CB 3.7Å
24E78Confident76.3Confident5 Ų537.7 Ų37.72%0.02318%0.18CC..EExtended strand (participates in β ladder)trans-108.7127.8179178.6160.1-109.800109.6Y22 M26 T78 W258 R259 P261Y22-E24 HydrophobicContact CD2-CB 4.23Å; Y22-E24 HydrophobicContact CE2-CB 3.57Å; Y22-E24 HydrophobicContact CE2-CG 4.17Å; Y22-E24 VanDerWaalsContact OH-CD 3.24Å; Y22-E24 PolarHBondContact OH-OE1 3.41Å; Y22-E24 PolarHBondContact OH-OE2 3.48Å; E24-M26 PolarHBondContact O-N 3.2Å; E24-T78 HydrophobicContact CG-CG2 4.03Å; E24-T78 PolarHBondContact OE1-OG1 2.94Å; E24-W258 CarbonylContact O-C 3.5Å; E24-W258 VanDerWaalsContact O-CA 3.26Å; E24-W258 WeakPolarHBondContact O-CA 3.45Å; E24-R259 PolarHBondContact N-O 3.12Å; E24-R259 PolarHBondContact O-N 3.49Å; E24-R259 IonicContact OE2-NH2 3.27Å; E24-P261 HydrophobicContact CB-CG 3.95Å
25P79.7Confident77Confident4 Ų429.7 Ų29.73%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-68.5115.5164.731.8-31.1000107.3Y75 L77 T78 L256 W258P25-Y75 HydrophobicContact CB-CD1 4.31Å; P25-L77 HydrophobicContact CG-CB 3.75Å; P25-L77 HydrophobicContact CG-CD2 4.11Å; P25-L77 HydrophobicContact CG-CG 4.48Å; P25-T78 HydrophobicContact CG-CG2 4.47Å; P25-L256 HydrophobicContact CB-CD1 3.97Å; P25-L256 HydrophobicContact CB-CD2 4.09Å; P25-L256 HydrophobicContact CB-CG 4.17Å; P25-W258 HydrophobicContact CB-CD2 4.22Å; P25-W258 HydrophobicContact CB-CE3 4.12Å; P25-W258 HydrophobicContact CB-CH2 4.21Å; P25-W258 HydrophobicContact CB-CZ2 4.29Å; P25-W258 HydrophobicContact CB-CZ3 4.14Å; P25-W258 VanDerWaalsContact CD-CZ3 3.45Å; P25-W258 HydrophobicContact CG-CE3 4.41Å; P25-W258 HydrophobicContact CG-CH2 4.19Å; P25-W258 HydrophobicContact CG-CZ3 4.04Å
26M82.1Confident77.4Confident13 Ų1323.4 Ų23.46%0.06413%0.13CC..EExtended strand (participates in β ladder)trans-104.7-36.5-173.2172.5-93172.700111.3E24 W72 Y75 I192 W216 M257 R259E24-M26 PolarHBondContact O-N 3.2Å; M26-W72 HydrophobicContact CE-CZ2 4.45Å; M26-W72 HydrophobicContact SD-CZ2 3.87Å; M26-Y75 PolarHBondContact O-N 2.87Å; M26-I192 HydrophobicContact CE-CD1 3.89Å; M26-I192 HydrophobicContact CE-CG1 3.73Å; M26-I192 HydrophobicContact CE-CG2 4.22Å; M26-W216 HydrophobicContact SD-CH2 3.79Å; M26-W216 HydrophobicContact SD-CZ3 4.46Å; M26-M257 PolarHBondContact N-O 2.88Å; M26-R259 HydrophobicContact CB-CB 4.07Å
27A87.3Confident78.3Confident0 Ų019.3 Ų19.30%011%0.11CC..EExtended strand (participates in β ladder)trans-148153.1-17700000112.9W72 Y73 M257A27-W72 HydrophobicContact CB-CD2 3.99Å; A27-W72 HydrophobicContact CB-CH2 4.07Å; A27-W72 HydrophobicContact CB-CZ2 3.26Å; A27-W72 VanDerWaalsContact CB-NE1 3.28Å; A27-Y73 CarbonylContact C-O 3.45Å; A27-Y73 WeakPolarHBondContact CA-O 2.81Å; A27-Y73 VanDerWaalsContact CB-O 3.29Å; A27-Y73 WeakPolarHBondContact CB-O 2.96Å; A27-M257 HydrophobicContact CB-CB 4.34Å; A27-M257 PolarHBondContact N-O 2.8Å; A27-M257 WeakPolarHBondContact O-CB 3.2Å; A27-M257 PolarHBondContact O-N 2.85Å
28L87.8Confident79Confident18 Ų1819.1 Ų19.19%0.09411%0.108CC..EExtended strand (participates in β ladder)trans-110.6132.8169.1-169.869.8000107.2N40 Y73 Y75 V221 L256L28-N40 HydrophobicContact CD2-CB 3.58Å; L28-N40 HydrophobicContact CG-CB 4.17Å; L28-N40 WeakPolarHBondContact CG-ND2 3.46Å; L28-Y73 HydrophobicContact CB-CD2 3.99Å; L28-Y73 HydrophobicContact CD2-CD2 4.25Å; L28-Y73 HydrophobicContact CG-CD2 4.2Å; L28-Y73 PolarHBondContact N-O 2.87Å; L28-Y73 WeakPolarHBondContact O-CD2 3.17Å; L28-Y73 PolarHBondContact O-N 2.82Å; L28-Y75 HydrophobicContact CB-CD2 4.32Å; L28-Y75 HydrophobicContact CB-CG 4.37Å; L28-Y75 HydrophobicContact CD2-CD2 4.49Å; L28-V221 HydrophobicContact CD1-CG1 4.47Å; L28-V221 HydrophobicContact CD1-CG2 3.79Å; L28-L256 HydrophobicContact CD1-CB 4.22Å; L28-L256 HydrophobicContact CD1-CD1 4.06Å
29T91.3Very high79.7Confident0 Ų017.2 Ų17.20%010%0.099CC..EExtended strand (participates in β ladder)trans-119.8133.8178.8175.80000110.4N40 V70 H71 G254 Y255 M257T29-N40 PolarHBondContact O-ND2 2.87Å; T29-V70 WeakPolarHBondContact OG1-CG1 3.35Å; T29-H71 CarbonylContact C-O 3.52Å; T29-H71 VanDerWaalsContact CA-O 3.31Å; T29-H71 WeakPolarHBondContact CA-O 3.19Å; T29-G254 CarbonylContact O-C 3.54Å; T29-G254 VanDerWaalsContact O-CA 3.26Å; T29-G254 WeakPolarHBondContact O-CA 3.17Å; T29-Y255 HydrophobicContact CG2-CD2 4.09Å; T29-Y255 HydrophobicContact CG2-CG 4.36Å; T29-Y255 WeakPolarHBondContact CG2-O 2.84Å; T29-Y255 PolarHBondContact N-O 3.26Å; T29-Y255 PolarHBondContact O-N 3.13Å; T29-M257 HydrophobicContact CG2-CE 3.41Å; T29-M257 VanDerWaalsContact CG2-CE 3.41Å; T29-M257 HydrophobicContact CG2-CG 4.21Å
30D89.6Confident80.1Confident0 Ų017.4 Ų17.40%010%0.099CC..EExtended strand (participates in β ladder)trans-103.8130.7168.1-80.8-28.3000110M38 V39 N40 V70 H71 Y73D30-M38 VanDerWaalsContact OD2-CA 3.3Å; D30-M38 WeakPolarHBondContact OD2-CA 3.13Å; D30-V39 HydrophobicContact CB-CG2 4.21Å; D30-V39 VanDerWaalsContact CG-N 3.34Å; D30-V39 PolarHBondContact OD2-N 3.21Å; D30-N40 VanDerWaalsContact CG-N 3.28Å; D30-N40 WeakPolarHBondContact OD1-CB 3.44Å; D30-N40 PolarHBondContact OD1-N 3.37Å; D30-N40 PolarHBondContact OD1-ND2 2.84Å; D30-N40 PolarHBondContact OD2-N 3.26Å; D30-V70 CarbonylContact O-C 3.59Å; D30-V70 VanDerWaalsContact O-CA 3.25Å; D30-V70 WeakPolarHBondContact O-CA 3.42Å; D30-H71 HydrophobicContact CB-CB 4.13Å; D30-H71 PolarHBondContact N-O 2.71Å; D30-H71 PolarHBondContact O-N 2.85Å; D30-Y73 HydrophobicContact CB-CE2 4.09Å; D30-Y73 WeakPolarHBondContact OD2-CE2 3.05Å; D30-Y73 VanDerWaalsContact OD2-CZ 3.29Å; D30-Y73 PolarHBondContact OD2-OH 2.8Å
31V91.1Very high80.5Confident1 Ų116.6 Ų16.61%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-118.8119.5174.2-1710000110C68 H69 V70 S175 V178 S179 N252 F253 Y255V31-C68 HydrophobicContact CG1-CB 3.69Å; V31-H69 WeakPolarHBondContact CA-O 2.92Å; V31-V70 HydrophobicContact CG1-CG2 4.46Å; V31-V70 HydrophobicContact CG2-CG2 4.22Å; V31-S175 WeakPolarHBondContact CG2-O 3.32Å; V31-V178 HydrophobicContact CB-CG2 4.46Å; V31-V178 HydrophobicContact CG1-CG2 3.47Å; V31-V178 VanDerWaalsContact CG1-CG2 3.47Å; V31-V178 HydrophobicContact CG2-CG2 4.14Å; V31-S179 WeakPolarHBondContact CG2-OG 3.41Å; V31-N252 WeakPolarHBondContact O-CA 3.34Å; V31-F253 PolarHBondContact N-O 3.35Å; V31-F253 PolarHBondContact O-N 2.76Å; V31-Y255 HydrophobicContact CG2-CD2 4.36Å; V31-Y255 HydrophobicContact CG2-CE2 4.23Å
32T88.1Confident80.6Confident1 Ų115.6 Ų15.61%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-136.9156.6-176.169.50000112.5S34 C37 V39 C68 H69 N252T32-S34 PolarHBondContact OG1-O 3.22Å; T32-C37 HydrophobicContact CG2-CB 3.93Å; T32-C37 WeakPolarHBondContact CG2-O 3.4Å; T32-V39 HydrophobicContact CG2-CG2 3.12Å; T32-C68 CarbonylContact O-C 3.49Å; T32-C68 WeakPolarHBondContact O-CA 3.2Å; T32-H69 PolarHBondContact N-O 3.06Å; T32-H69 PolarHBondContact O-N 3.33Å; T32-N252 WeakPolarHBondContact CA-OD1 3.16Å; T32-N252 WeakPolarHBondContact CB-OD1 3.18Å; T32-N252 HydrophobicContact CG2-CB 4.11Å
33R80.5Confident80.6Confident31 Ų3114.1 Ų14.112%0.1178%0.079CC..SBendtrans-90-13.5171.3-63.8176.4-179.5-168.7-9.9112.1G54 E168 K251R33-G54 WeakPolarHBondContact O-CA 3.36Å; R33-G54 PolarHBondContact O-N 2.92Å; R33-E168 IonicContact CZ-OE1 3.67Å; R33-E168 IonicContact NH2-OE1 3.43Å; R33-E168 PolarHBondContact NH2-OE1 3.03Å; R33-E168 IonicContact NH2-OE2 3.31Å; R33-E168 PolarHBondContact NH2-OE2 2Å; R33-K251 VanDerWaalsContact NH1-CD 3.33Å
34S76.7Confident80.2Confident51 Ų5113.9 Ų13.936%0.3579%0.087SC..SBendtrans-106.2122.2-179-61.10000109.1T32 G36 C37T32-S34 PolarHBondContact OG1-O 3.22Å; S34-G36 PolarHBondContact O-N 2.9Å; S34-C37 VanDerWaalsContact O-CB 3.29Å; S34-C37 WeakPolarHBondContact O-CB 3.36Å; S34-C37 PolarHBondContact O-N 2.82Å
35P75.2Confident79.7Confident28 Ų2814 Ų1418%0.1829%0.088CC..THydrogen-bonded Turntrans-57.6139.1-178.223.6-32.8000111C37 E102P35-C37 VanDerWaalsContact C-N 3.26Å; P35-C37 PolarHBondContact O-N 2.95Å; P35-E102 VanDerWaalsContact CA-OE1 3.26Å; P35-E102 WeakPolarHBondContact CA-OE1 3.46Å; P35-E102 HydrophobicContact CB-CG 3.67Å
36G73.2Confident78.9Confident1 Ų117.3 Ų17.31%0.0111%0.11CC..THydrogen-bonded Turntrans76.22.8178.100000114.8S34 M38 S44 L45 E102S34-G36 PolarHBondContact O-N 2.9Å; G36-M38 PolarHBondContact O-N 3.47Å; G36-S44 CarbonylContact O-C 3.58Å; G36-S44 WeakPolarHBondContact O-CA 3.42Å; G36-L45 PolarHBondContact O-N 2.79Å; G36-E102 PolarHBondContact N-OE1 3.17Å
37C81.1Confident77.7Confident22 Ų2220 Ų2015%0.14913%0.134CC..EExtended strand (participates in β ladder)trans-80.1109.4179-171.40000111.6T32 S34 P35 V39 H71T32-C37 HydrophobicContact CG2-CB 3.93Å; T32-C37 WeakPolarHBondContact CG2-O 3.4Å; S34-C37 VanDerWaalsContact O-CB 3.29Å; S34-C37 WeakPolarHBondContact O-CB 3.36Å; S34-C37 PolarHBondContact O-N 2.82Å; P35-C37 VanDerWaalsContact C-N 3.26Å; P35-C37 PolarHBondContact O-N 2.95Å; C37-V39 PolarHBondContact O-N 3.37Å; C37-H71 VanDerWaalsContact C-CE1 3.49Å; C37-H71 PolarHBondContact O-CE1 3.14Å; C37-H71 PolarHBondContact O-ND1 3.01Å; C37-H71 VanDerWaalsContact O-ND1 3.15Å
38M79.8Confident76.2Confident1 Ų122.7 Ų22.71%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-98.986.3-178-64.1-171.7153.200110.5D30 G36 N40 L41 G42 F43 L45 H71 Y73 I97 L100D30-M38 VanDerWaalsContact OD2-CA 3.3Å; D30-M38 WeakPolarHBondContact OD2-CA 3.13Å; G36-M38 PolarHBondContact O-N 3.47Å; M38-N40 VanDerWaalsContact C-N 3.35Å; M38-N40 PolarHBondContact O-N 3.13Å; M38-L41 HydrophobicContact CB-CB 4.15Å; M38-L41 CarbonylContact O-C 3.59Å; M38-L41 PolarHBondContact O-N 3.39Å; M38-L41 HydrophobicContact SD-CD1 3.96Å; M38-G42 WeakPolarHBondContact O-CA 3.27Å; M38-G42 PolarHBondContact O-N 3.01Å; M38-F43 WeakPolarHBondContact CA-O 3.42Å; M38-F43 HydrophobicContact CB-CD2 4.46Å; M38-F43 HydrophobicContact CB-CE2 4.29Å; M38-F43 HydrophobicContact CB-CZ 4.49Å; M38-F43 WeakPolarHBondContact CB-O 3.35Å; M38-F43 HydrophobicContact CG-CE2 4.17Å; M38-F43 PolarHBondContact N-O 2.99Å; M38-F43 PolarHBondContact O-N 3.49Å; M38-F43 HydrophobicContact SD-CD2 4.18Å; M38-F43 HydrophobicContact SD-CE2 3.23Å; M38-F43 WeakPolarHBondContact SD-CE2 3.1Å; M38-F43 HydrophobicContact SD-CZ 3.43Å; M38-F43 WeakPolarHBondContact SD-CZ 3.47Å; M38-L45 HydrophobicContact CE-CD1 3.32Å; M38-L45 HydrophobicContact CE-CG 4.09Å; M38-L45 HydrophobicContact SD-CD1 3.87Å; M38-L45 HydrophobicContact SD-CG 3.98Å; M38-H71 HydrophobicContact CE-CB 4.37Å; M38-Y73 WeakPolarHBondContact CB-OH 3.18Å; M38-Y73 HydrophobicContact CE-CE1 3.92Å; M38-Y73 WeakPolarHBondContact CG-OH 3.32Å; M38-Y73 HydrophobicContact SD-CE1 4.1Å; M38-I97 HydrophobicContact CE-CD1 3.9Å; M38-I97 HydrophobicContact CE-CG1 4.34Å; M38-I97 HydrophobicContact CE-CG2 4.28Å; M38-I97 HydrophobicContact SD-CD1 4.35Å; M38-L100 HydrophobicContact CE-CD2 3.32Å
39V81.2Confident74.5Confident20 Ų2024.7 Ų24.712%0.12117%0.17CC..THydrogen-bonded Turntrans-65-32.9-171.3-143.70000114D30 T32 C37 N222 N252 R296D30-V39 HydrophobicContact CB-CG2 4.21Å; D30-V39 VanDerWaalsContact CG-N 3.34Å; D30-V39 PolarHBondContact OD2-N 3.21Å; T32-V39 HydrophobicContact CG2-CG2 3.12Å; C37-V39 PolarHBondContact O-N 3.37Å; V39-N222 WeakPolarHBondContact CB-ND2 3.26Å; V39-N222 WeakPolarHBondContact CG1-ND2 2.98Å; V39-N222 PolarHBondContact O-ND2 2.87Å; V39-N252 HydrophobicContact CB-CB 4.46Å; V39-N252 HydrophobicContact CG1-CB 3.84Å; V39-N252 HydrophobicContact CG2-CB 3.68Å; V39-R296 WeakPolarHBondContact O-CG 3.23Å; V39-R296 PolarHBondContact O-NE 3.41Å
40N74.3Confident72.5Confident8 Ų832.7 Ų32.74%0.04321%0.205CC..THydrogen-bonded Turntrans-78.1-32.5179-82.6-43.1000111.7L28 T29 D30 M38 Y73 V221 G254 R296L28-N40 HydrophobicContact CD2-CB 3.58Å; L28-N40 HydrophobicContact CG-CB 4.17Å; L28-N40 WeakPolarHBondContact CG-ND2 3.46Å; T29-N40 PolarHBondContact O-ND2 2.87Å; D30-N40 VanDerWaalsContact CG-N 3.28Å; D30-N40 WeakPolarHBondContact OD1-CB 3.44Å; D30-N40 PolarHBondContact OD1-N 3.37Å; D30-N40 PolarHBondContact OD1-ND2 2.84Å; D30-N40 PolarHBondContact OD2-N 3.26Å; M38-N40 VanDerWaalsContact C-N 3.35Å; M38-N40 PolarHBondContact O-N 3.13Å; N40-Y73 HydrophobicContact CB-CE2 4.48Å; N40-V221 VanDerWaalsContact OD1-CG2 3.23Å; N40-V221 WeakPolarHBondContact OD1-CG2 3.39Å; N40-G254 WeakPolarHBondContact ND2-CA 3.11Å; N40-R296 PolarHBondContact OD1-NH2 3.26Å
41L74.5Confident70.7Confident9 Ų934 Ų345%0.04721%0.214CC..THydrogen-bonded Turntrans-89.4-10.9175.8-56.8179.6000113.5M38 F43 Y73 L95 L295 L303M38-L41 HydrophobicContact CB-CB 4.15Å; M38-L41 CarbonylContact O-C 3.59Å; M38-L41 PolarHBondContact O-N 3.39Å; M38-L41 HydrophobicContact SD-CD1 3.96Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 HydrophobicContact CB-CD1 3.72Å; L41-F43 HydrophobicContact CB-CE1 3.3Å; L41-F43 HydrophobicContact CB-CZ 3.96Å; L41-F43 HydrophobicContact CD1-CE1 3.67Å; L41-F43 HydrophobicContact CD1-CZ 3.58Å; L41-F43 HydrophobicContact CG-CE1 4.1Å; L41-F43 HydrophobicContact CG-CZ 4.43Å; L41-F43 WeakPolarHBondContact O-CD1 3.5Å; L41-F43 PolarHBondContact O-N 2.88Å; L41-Y73 HydrophobicContact CD1-CD1 4.1Å; L41-Y73 HydrophobicContact CD1-CE1 3.53Å; L41-Y73 HydrophobicContact CG-CE1 4.21Å; L41-L95 HydrophobicContact CD2-CD2 4.1Å; L41-L295 WeakPolarHBondContact O-CB 3.4Å; L41-L303 HydrophobicContact CD2-CD2 4.44Å
42G71.3Confident68.9Low14 Ų1435.2 Ų35.214%0.14422%0.223CC..THydrogen-bonded Turntrans77.92173.200000116.3M38 L295 P299M38-G42 WeakPolarHBondContact O-CA 3.27Å; M38-G42 PolarHBondContact O-N 3.01Å; G42-L295 WeakPolarHBondContact CA-O 3.28Å; G42-P299 WeakPolarHBondContact O-CG 3.36Å
43F71.9Confident67.4Low6 Ų642 Ų423%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-115.7169.5176.963.4-97.4000112.3M38 L41 L45 P299 L303 K304 A307M38-F43 WeakPolarHBondContact CA-O 3.42Å; M38-F43 HydrophobicContact CB-CD2 4.46Å; M38-F43 HydrophobicContact CB-CE2 4.29Å; M38-F43 HydrophobicContact CB-CZ 4.49Å; M38-F43 WeakPolarHBondContact CB-O 3.35Å; M38-F43 HydrophobicContact CG-CE2 4.17Å; M38-F43 PolarHBondContact N-O 2.99Å; M38-F43 PolarHBondContact O-N 3.49Å; M38-F43 HydrophobicContact SD-CD2 4.18Å; M38-F43 HydrophobicContact SD-CE2 3.23Å; M38-F43 WeakPolarHBondContact SD-CE2 3.1Å; M38-F43 HydrophobicContact SD-CZ 3.43Å; M38-F43 WeakPolarHBondContact SD-CZ 3.47Å; L41-F43 VanDerWaalsContact C-N 3.31Å; L41-F43 HydrophobicContact CB-CD1 3.72Å; L41-F43 HydrophobicContact CB-CE1 3.3Å; L41-F43 HydrophobicContact CB-CZ 3.96Å; L41-F43 HydrophobicContact CD1-CE1 3.67Å; L41-F43 HydrophobicContact CD1-CZ 3.58Å; L41-F43 HydrophobicContact CG-CE1 4.1Å; L41-F43 HydrophobicContact CG-CZ 4.43Å; L41-F43 WeakPolarHBondContact O-CD1 3.5Å; L41-F43 PolarHBondContact O-N 2.88Å; F43-L45 HydrophobicContact CD2-CD2 4.34Å; F43-L45 HydrophobicContact CD2-CG 4.47Å; F43-L45 HydrophobicContact CE2-CD2 3.78Å; F43-L45 HydrophobicContact CE2-CG 3.97Å; F43-P299 HydrophobicContact CB-CB 4.17Å; F43-L303 HydrophobicContact CE1-CD2 3.96Å; F43-K304 HydrophobicContact CB-CB 4.12Å; F43-K304 HydrophobicContact CB-CD 4.37Å; F43-K304 HydrophobicContact CB-CG 4.32Å; F43-K304 HydrophobicContact CD1-CB 4.46Å; F43-K304 HydrophobicContact CD2-CB 4.23Å; F43-K304 HydrophobicContact CD2-CG 4.1Å; F43-K304 HydrophobicContact CG-CB 4.03Å; F43-K304 HydrophobicContact CG-CG 4.31Å; F43-A307 HydrophobicContact CE1-CB 4.21Å; F43-A307 HydrophobicContact CE2-CB 3.47Å; F43-A307 VanDerWaalsContact CE2-CB 3.47Å; F43-A307 HydrophobicContact CZ-CB 3.21Å
44S68.7Low66Low58 Ų5841.2 Ų41.241%0.40626%0.256SS..EExtended strand (participates in β ladder)trans-118.5129.8168.4-62.30000109.7G36 K304G36-S44 CarbonylContact O-C 3.58Å; G36-S44 WeakPolarHBondContact O-CA 3.42Å; S44-K304 VanDerWaalsContact O-CE 3.31Å; S44-K304 WeakPolarHBondContact O-CE 3.22Å; S44-K304 PolarHBondContact O-NZ 3.3Å
45L68.1Low64.9Low8 Ų842.4 Ų42.44%0.04226%0.261CS..PPolyproline II helixtrans-69.2150.5167.8-68.9177.6000110G36 M38 F43 F48 L100 A307 E308 V311G36-L45 PolarHBondContact O-N 2.79Å; M38-L45 HydrophobicContact CE-CD1 3.32Å; M38-L45 HydrophobicContact CE-CG 4.09Å; M38-L45 HydrophobicContact SD-CD1 3.87Å; M38-L45 HydrophobicContact SD-CG 3.98Å; F43-L45 HydrophobicContact CD2-CD2 4.34Å; F43-L45 HydrophobicContact CD2-CG 4.47Å; F43-L45 HydrophobicContact CE2-CD2 3.78Å; F43-L45 HydrophobicContact CE2-CG 3.97Å; L45-F48 HydrophobicContact CB-CE2 4.18Å; L45-F48 HydrophobicContact CB-CZ 4.23Å; L45-F48 HydrophobicContact CD1-CE2 4.01Å; L45-F48 HydrophobicContact CD1-CZ 3.89Å; L45-L100 HydrophobicContact CD1-CD1 4.18Å; L45-L100 HydrophobicContact CD1-CD2 4.49Å; L45-A307 HydrophobicContact CD2-CB 3.98Å; L45-E308 HydrophobicContact CD2-CG 3.73Å; L45-V311 HydrophobicContact CD1-CG2 4.25Å
46P63.9Low63.6Low74 Ų7443 Ų4348%0.48127%0.269SS..PPolyproline II helixtrans-58.9141.5171.313.8-14.1000109.6F48 E308P46-F48 PolarHBondContact O-N 3.28Å; P46-E308 WeakPolarHBondContact CD-OE1 3.21Å; P46-E308 HydrophobicContact CG-CG 4.39Å
47A55.7Low62.3Low70 Ų7047.3 Ų47.358%0.57929%0.287SS*.PPolyproline II helixtrans-57123.7-178.800000110.5G49A47-G49 VanDerWaalsContact C-N 3.35Å; A47-G49 PolarHBondContact O-N 3.35Å
48F56.8Low60.4Low55 Ų5553.8 Ų53.824%0.24131%0.313CS..  trans-72.989.6173.8-61.3-69.9000108.8L45 P46 T51 L100 E102 I103 V311L45-F48 HydrophobicContact CB-CE2 4.18Å; L45-F48 HydrophobicContact CB-CZ 4.23Å; L45-F48 HydrophobicContact CD1-CE2 4.01Å; L45-F48 HydrophobicContact CD1-CZ 3.89Å; P46-F48 PolarHBondContact O-N 3.28Å; F48-T51 WeakPolarHBondContact O-CG2 3.27Å; F48-T51 PolarHBondContact O-OG1 3.48Å; F48-L100 HydrophobicContact CE2-CD1 4.09Å; F48-L100 HydrophobicContact CZ-CD1 4.14Å; F48-E102 HydrophobicContact CB-CB 4.47Å; F48-E102 HydrophobicContact CD2-CB 3.8Å; F48-E102 HydrophobicContact CD2-CG 4.42Å; F48-I103 HydrophobicContact CD1-CD1 4.49Å; F48-I103 HydrophobicContact CD1-CG1 4.45Å; F48-I103 HydrophobicContact CD2-CG1 4.22Å; F48-I103 HydrophobicContact CE1-CD1 4.4Å; F48-I103 HydrophobicContact CG-CG1 4.18Å; F48-I103 HydrophobicContact CZ-CD1 4.4Å; F48-V311 HydrophobicContact CD1-CG1 4.48Å; F48-V311 HydrophobicContact CE1-CB 4.37Å; F48-V311 HydrophobicContact CE1-CG1 3.46Å; F48-V311 VanDerWaalsContact CE1-CG1 3.46Å; F48-V311 HydrophobicContact CZ-CB 4.36Å; F48-V311 HydrophobicContact CZ-CG1 3.76Å; F48-V311 HydrophobicContact CZ-CG2 4.1Å
49G51.1Low58.4Low60 Ų6058.2 Ų58.262%0.61934%0.336SS*.SBendtrans58.6-161.4-176.400000113.5A47 T51A47-G49 VanDerWaalsContact C-N 3.35Å; A47-G49 PolarHBondContact O-N 3.35Å; G49-T51 PolarHBondContact O-N 2.81Å; G49-T51 PolarHBondContact O-OG1 2.84Å
50K49.8Very low56.5Low169 Ų16967 Ų6774%0.73538%0.376SS*.SBendtrans-7956.3174.2-66.9-176.1179.9178.90110.9
51T52.7Low55Low28 Ų2872.8 Ų72.817%0.17240%0.401CS..PPolyproline II helixtrans-66.4135.9171.919.10000109.9F48 G49 Q53 E102F48-T51 WeakPolarHBondContact O-CG2 3.27Å; F48-T51 PolarHBondContact O-OG1 3.48Å; G49-T51 PolarHBondContact O-N 2.81Å; G49-T51 PolarHBondContact O-OG1 2.84Å; T51-Q53 PolarHBondContact O-N 3.48Å; T51-E102 HydrophobicContact CG2-CB 4.16Å; T51-E102 WeakPolarHBondContact CG2-O 3.11Å
52A51.4Low53.4Low25 Ų2576.6 Ų76.621%0.20742%0.419CS..PPolyproline II helixtrans-58.1125-173.800000111G54 H69A52-G54 PolarHBondContact O-N 2.79Å; A52-H69 PolarHBondContact O-NE2 3.37Å
53Q57Low52.2Low145 Ų14578.5 Ų78.568%0.67843%0.427SS*.PPolyproline II helixtrans-65.4131.5171.1-164.9169.57.700108.8T51 T55T51-Q53 PolarHBondContact O-N 3.48Å; Q53-T55 PolarHBondContact O-N 2.87Å
54G51.7Low51.4Low14 Ų1481.1 Ų81.114%0.14444%0.441CS..PPolyproline II helixtrans-58.7117.5178.400000111.9R33 A52 F67R33-G54 WeakPolarHBondContact O-CA 3.36Å; R33-G54 PolarHBondContact O-N 2.92Å; A52-G54 PolarHBondContact O-N 2.79Å; G54-F67 VanDerWaalsContact CA-O 3.22Å; G54-F67 WeakPolarHBondContact CA-O 3.36Å
55T53.5Low50.9Low75 Ų7579.4 Ų79.446%0.4643%0.433SS..PPolyproline II helixtrans-91.3139.7175.859.30000109.6Q53 A66 F67Q53-T55 PolarHBondContact O-N 2.87Å; T55-A66 CarbonylContact O-C 3.58Å; T55-A66 VanDerWaalsContact O-CA 3.31Å; T55-A66 WeakPolarHBondContact O-CA 3.44Å; T55-F67 PolarHBondContact O-N 2.94Å
56A48.6Very low51.3Low41 Ų4179.2 Ų79.234%0.33943%0.433SS..BIsolated β-bridgetrans-122.9109.3158.900000107.6
57K44.9Very low52.2Low91 Ų9176.4 Ų76.440%0.39641%0.413SS..  trans-92.4110.3179.2-69.1-172.3169.2-165.10108N64 G65K57-N64 WeakPolarHBondContact O-CA 3.46Å; K57-N64 PolarHBondContact O-OD1 3.42Å; K57-G65 PolarHBondContact N-O 2.93Å
58K41.8Very low53.7Low159 Ų15973.2 Ų73.269%0.69139%0.387SS*.  trans-106.286158.3-85.4-168172.7-167.80106.4
59D37Very low55.2Low93 Ų9370.6 Ų70.650%0.49738%0.375SS..BIsolated β-bridgetrans-117.5129.7169.7-107.1-32.6000107.1K61 Q62D59-K61 PolarHBondContact O-N 3.4Å; D59-Q62 HydrophobicContact CB-CB 3.97Å; D59-Q62 HydrophobicContact CB-CG 4.36Å; D59-Q62 PolarHBondContact O-N 2.82Å; D59-Q62 VanDerWaalsContact O-N 3.1Å; D59-Q62 VanDerWaalsContact O-O 3.07Å
60E42.5Very low57.1Low205 Ų20567.8 Ų67.896%0.95835%0.346SS*.THydrogen-bonded Turntrans-56.7-13.3177.6-83.6-173.9144.100113.3
61K41.7Very low59Low130 Ų13059.7 Ų59.757%0.56531%0.311SS*.THydrogen-bonded Turntrans-1217.1-178.4-63.5-175.9179.3-177.60114.6D59 Q408D59-K61 PolarHBondContact O-N 3.4Å; K61-Q408 WeakPolarHBondContact O-CG 3.46Å; K61-Q408 PolarHBondContact O-NE2 3.41Å; K61-Q408 PolarHBondContact O-OE1 2.77Å
62Q41.9Very low60.7Low89 Ų8958.6 Ų58.642%0.41630%0.303SS..BIsolated β-bridgetrans-128.9139.5173.5-69.1-170.21.800109.9D59 N64D59-Q62 HydrophobicContact CB-CB 3.97Å; D59-Q62 HydrophobicContact CB-CG 4.36Å; D59-Q62 PolarHBondContact O-N 2.82Å; D59-Q62 VanDerWaalsContact O-N 3.1Å; D59-Q62 VanDerWaalsContact O-O 3.07Å; Q62-N64 PolarHBondContact O-N 3.38Å; Q62-N64 VanDerWaalsContact O-N 3.14Å
63V45Very low62.2Low53 Ų5357.4 Ų57.432%0.32129%0.293SS..  trans-45121.8174.7-172.40000109.7G65 T404V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 3.39Å; V63-T404 WeakPolarHBondContact CG2-OG1 3.39Å
64N54.8Low63.2Low61 Ų6153.5 Ų53.533%0.32627%0.274SS..  trans-62.989.7179.1-76.5-24000109.2K57 Q62 N167 E168K57-N64 WeakPolarHBondContact O-CA 3.46Å; K57-N64 PolarHBondContact O-OD1 3.42Å; Q62-N64 PolarHBondContact O-N 3.38Å; Q62-N64 VanDerWaalsContact O-N 3.14Å; N64-N167 WeakPolarHBondContact O-CA 3.11Å; N64-N167 PolarHBondContact O-N 3.23Å; N64-E168 PolarHBondContact O-N 2.88Å
65G59.8Low64.5Low22 Ų2254.2 Ų54.223%0.22727%0.273CS..EExtended strand (participates in β ladder)trans-106.8137.8179.500000110.5K57 V63 V165K57-G65 PolarHBondContact N-O 2.93Å; V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 3.39Å; G65-V165 WeakPolarHBondContact CA-O 3.47Å
66A75.1Confident65.1Low4 Ų450.9 Ų50.93%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-118.1141.3170.300000110.1T55 V165 E168T55-A66 CarbonylContact O-C 3.58Å; T55-A66 VanDerWaalsContact O-CA 3.31Å; T55-A66 WeakPolarHBondContact O-CA 3.44Å; A66-V165 HydrophobicContact CB-CB 4.5Å; A66-V165 PolarHBondContact N-O 3.46Å; A66-V165 PolarHBondContact O-N 3.44Å; A66-E168 HydrophobicContact CB-CB 4.33Å; A66-E168 HydrophobicContact CB-CG 4.49Å; A66-E168 WeakPolarHBondContact CB-OE2 3.47Å
67F83.7Confident66Low15 Ų1549.6 Ų49.67%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-113.9124.7163.6-175-111.6000108.9G54 T55 H69 W107 T108 G163 Q164G54-F67 VanDerWaalsContact CA-O 3.22Å; G54-F67 WeakPolarHBondContact CA-O 3.36Å; T55-F67 PolarHBondContact O-N 2.94Å; F67-H69 AromaticContact CE1-CE1 3.39Å; F67-H69 WeakPolarHBondContact CE1-CE1 3.32Å; F67-H69 AromaticContact CE1-ND1 3.93Å; F67-H69 AromaticContact CE1-NE2 3.54Å; F67-H69 AromaticContact CZ-CE1 3.96Å; F67-W107 WeakPolarHBondContact CE2-O 3.5Å; F67-W107 AromaticContact CZ-CD1 3.89Å; F67-T108 HydrophobicContact CE1-CG2 4.29Å; F67-T108 HydrophobicContact CZ-CG2 3.78Å; F67-G163 WeakPolarHBondContact CA-O 3.33Å; F67-G163 VanDerWaalsContact CD2-C 3.44Å; F67-G163 WeakPolarHBondContact CD2-O 3.44Å; F67-Q164 HydrophobicContact CD2-CG 3.64Å; F67-Q164 HydrophobicContact CE2-CG 4.16Å
68C87.6Confident66.9Low4 Ų445.6 Ų45.63%0.02722%0.223CC..  trans-125.5139.3179.7-650000110.5V31 T32 W107 G163 V178V31-C68 HydrophobicContact CG1-CB 3.69Å; T32-C68 CarbonylContact O-C 3.49Å; T32-C68 WeakPolarHBondContact O-CA 3.2Å; C68-W107 PolarHBondContact O-NE1 3.08Å; C68-G163 PolarHBondContact N-O 3.19Å; C68-G163 WeakPolarHBondContact O-CA 3.39Å; C68-V178 HydrophobicContact CB-CG1 4.39Å; C68-V178 HydrophobicContact CB-CG2 4.01Å
69H88.3Confident67.9Low0 Ų043.2 Ų43.20%021%0.211CC..EExtended strand (participates in β ladder)trans-88.3145.7168.1-69.1-67.5000110V31 T32 A52 F67 S101 E102V31-H69 WeakPolarHBondContact CA-O 2.92Å; T32-H69 PolarHBondContact N-O 3.06Å; T32-H69 PolarHBondContact O-N 3.33Å; A52-H69 PolarHBondContact O-NE2 3.37Å; F67-H69 AromaticContact CE1-CE1 3.39Å; F67-H69 WeakPolarHBondContact CE1-CE1 3.32Å; F67-H69 AromaticContact CE1-ND1 3.93Å; F67-H69 AromaticContact CE1-NE2 3.54Å; F67-H69 AromaticContact CZ-CE1 3.96Å; H69-S101 VanDerWaalsContact CA-OG 3.29Å; H69-S101 WeakPolarHBondContact CA-OG 3.41Å; H69-S101 WeakPolarHBondContact CB-OG 3.22Å; H69-S101 PolarHBondContact ND1-OG 3.23Å; H69-E102 VanDerWaalsContact CB-OE1 3.26Å; H69-E102 WeakPolarHBondContact CB-OE1 3.34Å; H69-E102 IonicContact CG-OE1 2.74Å; H69-E102 IonicContact ND1-OE1 3.55Å
70V90.8Very high69.1Low0 Ų042.3 Ų42.30%020%0.2CC..EExtended strand (participates in β ladder)trans-126.2124.7-179.6177.90000109.5T29 D30 V31 S101 W107 V178 M182T29-V70 WeakPolarHBondContact OG1-CG1 3.35Å; D30-V70 CarbonylContact O-C 3.59Å; D30-V70 VanDerWaalsContact O-CA 3.25Å; D30-V70 WeakPolarHBondContact O-CA 3.42Å; V31-V70 HydrophobicContact CG1-CG2 4.46Å; V31-V70 HydrophobicContact CG2-CG2 4.22Å; V70-S101 PolarHBondContact N-OG 3.34Å; V70-S101 WeakPolarHBondContact O-CB 3.34Å; V70-S101 PolarHBondContact O-N 3.15Å; V70-S101 PolarHBondContact O-OG 2.9Å; V70-S101 VanDerWaalsContact O-OG 3.11Å; V70-W107 HydrophobicContact CB-CH2 4.41Å; V70-W107 HydrophobicContact CB-CZ2 3.98Å; V70-W107 HydrophobicContact CG2-CH2 4Å; V70-W107 HydrophobicContact CG2-CZ2 3.47Å; V70-W107 VanDerWaalsContact CG2-CZ2 3.47Å; V70-V178 HydrophobicContact CG2-CB 3.9Å; V70-V178 HydrophobicContact CG2-CG2 3.61Å; V70-M182 HydrophobicContact CB-CE 3.84Å; V70-M182 HydrophobicContact CG1-CB 3.91Å; V70-M182 HydrophobicContact CG1-CE 3.95Å; V70-M182 HydrophobicContact CG1-CG 3.87Å
71H89.4Confident70Confident0 Ų034 Ų340%016%0.162CC..EExtended strand (participates in β ladder)trans-108.2123.7168.6-44.7110.6000108.9T29 D30 C37 M38 Y73 L100 E102T29-H71 CarbonylContact C-O 3.52Å; T29-H71 VanDerWaalsContact CA-O 3.31Å; T29-H71 WeakPolarHBondContact CA-O 3.19Å; D30-H71 HydrophobicContact CB-CB 4.13Å; D30-H71 PolarHBondContact N-O 2.71Å; D30-H71 PolarHBondContact O-N 2.85Å; C37-H71 VanDerWaalsContact C-CE1 3.49Å; C37-H71 PolarHBondContact O-CE1 3.14Å; C37-H71 PolarHBondContact O-ND1 3.01Å; C37-H71 VanDerWaalsContact O-ND1 3.15Å; M38-H71 HydrophobicContact CE-CB 4.37Å; H71-Y73 HydrophobicContact CB-CE1 4.28Å; H71-Y73 HydrophobicContact CB-CE2 4.33Å; H71-L100 HydrophobicContact CB-CD2 4.11Å; H71-L100 WeakPolarHBondContact CD2-CD2 3.39Å; H71-E102 IonicContact CD2-OE1 3.26Å; H71-E102 IonicContact CD2-OE2 3.6Å; H71-E102 PolarHBondContact CD2-OE2 3.08Å; H71-E102 VanDerWaalsContact CD2-OE2 3.27Å; H71-E102 IonicContact CE1-OE1 2.97Å; H71-E102 VanDerWaalsContact NE2-CD 3.29Å; H71-E102 IonicContact NE2-OE1 3.29Å; H71-E102 PolarHBondContact NE2-OE1 3.26Å; H71-E102 IonicContact NE2-OE2 3.64Å; H71-E102 PolarHBondContact NE2-OE2 3.05Å
72W87.5Confident70.9Confident4 Ų432.9 Ų32.92%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-107.2118.7-178.2-169.7-87.5000109.9M26 A27 A98 Y99 M182 A183 L186 I192 W216 M257M26-W72 HydrophobicContact CE-CZ2 4.45Å; M26-W72 HydrophobicContact SD-CZ2 3.87Å; A27-W72 HydrophobicContact CB-CD2 3.99Å; A27-W72 HydrophobicContact CB-CH2 4.07Å; A27-W72 HydrophobicContact CB-CZ2 3.26Å; A27-W72 VanDerWaalsContact CB-NE1 3.28Å; W72-A98 PolarHBondContact O-N 3.09Å; W72-Y99 PolarHBondContact N-O 3.21Å; W72-Y99 PolarHBondContact O-N 2.84Å; W72-M182 HydrophobicContact CB-CG 4.46Å; W72-M182 HydrophobicContact CD2-CG 4.33Å; W72-M182 HydrophobicContact CE3-CB 4.24Å; W72-M182 HydrophobicContact CE3-CG 3.75Å; W72-M182 HydrophobicContact CZ3-CB 4.44Å; W72-M182 HydrophobicContact CZ3-CG 4.36Å; W72-A183 HydrophobicContact CH2-CB 3.71Å; W72-A183 HydrophobicContact CZ3-CB 4.09Å; W72-L186 HydrophobicContact CB-CD1 4.43Å; W72-L186 HydrophobicContact CD2-CD1 3.59Å; W72-L186 HydrophobicContact CE3-CD1 4.23Å; W72-L186 HydrophobicContact CG-CD1 3.68Å; W72-L186 HydrophobicContact CZ2-CD1 4.11Å; W72-I192 HydrophobicContact CZ2-CD1 4.19Å; W72-W216 HydrophobicContact CH2-CH2 4.27Å; W72-W216 AromaticContact CH2-CZ3 3.92Å; W72-W216 HydrophobicContact CH2-CZ3 3.92Å; W72-W216 HydrophobicContact CZ2-CH2 4.18Å; W72-W216 HydrophobicContact CZ2-CZ3 4.21Å; W72-M257 HydrophobicContact CH2-CB 4.26Å; W72-M257 HydrophobicContact CH2-CG 3.85Å; W72-M257 HydrophobicContact CZ3-CG 4.08Å
73Y83.3Confident71.6Confident1 Ų130.2 Ų30.20%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-106.2135.7176.7-43.5-75.2000110.2A27 L28 D30 M38 N40 L41 H71 Y75 D96 I97A27-Y73 CarbonylContact C-O 3.45Å; A27-Y73 WeakPolarHBondContact CA-O 2.81Å; A27-Y73 VanDerWaalsContact CB-O 3.29Å; A27-Y73 WeakPolarHBondContact CB-O 2.96Å; L28-Y73 HydrophobicContact CB-CD2 3.99Å; L28-Y73 HydrophobicContact CD2-CD2 4.25Å; L28-Y73 HydrophobicContact CG-CD2 4.2Å; L28-Y73 PolarHBondContact N-O 2.87Å; L28-Y73 WeakPolarHBondContact O-CD2 3.17Å; L28-Y73 PolarHBondContact O-N 2.82Å; D30-Y73 HydrophobicContact CB-CE2 4.09Å; D30-Y73 WeakPolarHBondContact OD2-CE2 3.05Å; D30-Y73 VanDerWaalsContact OD2-CZ 3.29Å; D30-Y73 PolarHBondContact OD2-OH 2.8Å; M38-Y73 WeakPolarHBondContact CB-OH 3.18Å; M38-Y73 HydrophobicContact CE-CE1 3.92Å; M38-Y73 WeakPolarHBondContact CG-OH 3.32Å; M38-Y73 HydrophobicContact SD-CE1 4.1Å; N40-Y73 HydrophobicContact CB-CE2 4.48Å; L41-Y73 HydrophobicContact CD1-CD1 4.1Å; L41-Y73 HydrophobicContact CD1-CE1 3.53Å; L41-Y73 HydrophobicContact CG-CE1 4.21Å; H71-Y73 HydrophobicContact CB-CE1 4.28Å; H71-Y73 HydrophobicContact CB-CE2 4.33Å; Y73-Y75 PolarHBondContact O-N 3.43Å; Y73-D96 CarbonylContact C-O 3.58Å; Y73-D96 VanDerWaalsContact CA-O 3.24Å; Y73-D96 WeakPolarHBondContact CA-O 3.44Å; Y73-I97 HydrophobicContact CD1-CB 4.49Å; Y73-I97 HydrophobicContact CD1-CG1 3.92Å; Y73-I97 HydrophobicContact CE1-CG1 4.01Å
74K79.3Confident72.1Confident63 Ų6328.8 Ų28.827%0.27414%0.141SC..EExtended strand (participates in β ladder)trans-71.4124.4168.3-169.3-175.6174-177.80108.5P76 G92 L95 D96 A98K74-P76 WeakPolarHBondContact O-CD 3.34Å; K74-G92 PolarHBondContact NZ-O 3Å; K74-L95 VanDerWaalsContact O-CD1 3.27Å; K74-L95 WeakPolarHBondContact O-CD1 3.46Å; K74-D96 HydrophobicContact CB-CB 4.46Å; K74-D96 PolarHBondContact N-O 3.44Å; K74-D96 PolarHBondContact O-N 3.38Å; K74-A98 HydrophobicContact CB-CB 4.35Å
75Y77.4Confident72Confident28 Ų2830.6 Ų30.611%0.1115%0.154CC..  trans-12770.6-172.9-164.4-100.6000112.1P25 M26 L28 Y73 L77 W80 L95 L256P25-Y75 HydrophobicContact CB-CD1 4.31Å; M26-Y75 PolarHBondContact O-N 2.87Å; L28-Y75 HydrophobicContact CB-CD2 4.32Å; L28-Y75 HydrophobicContact CB-CG 4.37Å; L28-Y75 HydrophobicContact CD2-CD2 4.49Å; Y73-Y75 PolarHBondContact O-N 3.43Å; Y75-L77 HydrophobicContact CD1-CB 3.92Å; Y75-L77 HydrophobicContact CE1-CB 3.65Å; Y75-L77 HydrophobicContact CE1-CD1 4.2Å; Y75-L77 HydrophobicContact CE1-CD2 3.98Å; Y75-L77 HydrophobicContact CE1-CG 4.14Å; Y75-L77 PolarHBondContact O-N 2.9Å; Y75-W80 HydrophobicContact CD2-CH2 4.13Å; Y75-W80 HydrophobicContact CD2-CZ3 4.18Å; Y75-W80 HydrophobicContact CE2-CH2 4.18Å; Y75-W80 AromaticContact CE2-CZ3 3.83Å; Y75-W80 HydrophobicContact CE2-CZ3 3.83Å; Y75-L95 HydrophobicContact CD2-CD1 3.8Å; Y75-L256 HydrophobicContact CD1-CD1 3.61Å; Y75-L256 HydrophobicContact CE1-CD1 3.98Å; Y75-L256 HydrophobicContact CG-CD1 4.27Å
76P67.5Low71.6Confident6 Ų632.1 Ų32.14%0.03916%0.162CC..  trans-78.557.1-173.934.4-36.1000112.7K74 T78 Y79 W80 E91 G93K74-P76 WeakPolarHBondContact O-CD 3.34Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.37Å; P76-Y79 WeakPolarHBondContact O-CB 3.47Å; P76-Y79 PolarHBondContact O-N 3.12Å; P76-Y79 VanDerWaalsContact O-N 3.15Å; P76-W80 HydrophobicContact CG-CZ2 3.77Å; P76-W80 PolarHBondContact O-N 3.19Å; P76-E91 WeakPolarHBondContact CB-O 3.24Å; P76-G93 WeakPolarHBondContact CG-O 3.27Å
77L67.3Low70.1Confident13 Ų1340.9 Ų40.97%0.06821%0.207CC..Hα-helixtrans-61-34.6-175.2-177.370000113P25 Y75 Y79 W80 L81 F284 L285P25-L77 HydrophobicContact CG-CB 3.75Å; P25-L77 HydrophobicContact CG-CD2 4.11Å; P25-L77 HydrophobicContact CG-CG 4.48Å; Y75-L77 HydrophobicContact CD1-CB 3.92Å; Y75-L77 HydrophobicContact CE1-CB 3.65Å; Y75-L77 HydrophobicContact CE1-CD1 4.2Å; Y75-L77 HydrophobicContact CE1-CD2 3.98Å; Y75-L77 HydrophobicContact CE1-CG 4.14Å; Y75-L77 PolarHBondContact O-N 2.9Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 3.26Å; L77-W80 HydrophobicContact CD1-CE3 3.94Å; L77-W80 HydrophobicContact CD1-CZ3 4.43Å; L77-W80 PolarHBondContact O-N 3.47Å; L77-L81 HydrophobicContact CD1-CD1 3.92Å; L77-L81 HydrophobicContact CD1-CG 4.05Å; L77-L81 HydrophobicContact CD2-CD1 4.05Å; L77-L81 HydrophobicContact CG-CD1 3.68Å; L77-L81 HydrophobicContact CG-CG 4.14Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 2.64Å; L77-F284 HydrophobicContact CD1-CE1 4Å; L77-L285 HydrophobicContact CD2-CD2 3.91Å
78T63.8Low68.4Low7 Ų743.2 Ų43.24%0.04324%0.235CC..Hα-helixtrans-61.3-37.2177.839.50000112.4Y22 E24 P25 P76 N82 I83Y22-T78 HydrophobicContact CE2-CG2 4.03Å; E24-T78 HydrophobicContact CG-CG2 4.03Å; E24-T78 PolarHBondContact OE1-OG1 2.94Å; P25-T78 HydrophobicContact CG-CG2 4.47Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.37Å; T78-N82 PolarHBondContact O-N 3.08Å; T78-I83 PolarHBondContact O-N 2.94Å
79Y62.1Low66.5Low110 Ų11044.9 Ų44.943%0.43125%0.247SC..Hα-helixtrans-68-49.1173.2-179-104.5000110.8P76 L77 L81 N82P76-Y79 WeakPolarHBondContact O-CB 3.47Å; P76-Y79 PolarHBondContact O-N 3.12Å; P76-Y79 VanDerWaalsContact O-N 3.15Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 3.26Å; Y79-L81 VanDerWaalsContact C-N 3.31Å; Y79-L81 PolarHBondContact O-N 2.81Å; Y79-N82 PolarHBondContact O-N 2.77Å; Y79-N82 VanDerWaalsContact O-N 3.08Å
80W62.2Low64.9Low73 Ų7346.9 Ų46.928%0.27726%0.257SS..Hα-helixtrans-61.5-38179-59.4-23.7000113.6Y75 P76 L77 N82 G93 L95Y75-W80 HydrophobicContact CD2-CH2 4.13Å; Y75-W80 HydrophobicContact CD2-CZ3 4.18Å; Y75-W80 HydrophobicContact CE2-CH2 4.18Å; Y75-W80 AromaticContact CE2-CZ3 3.83Å; Y75-W80 HydrophobicContact CE2-CZ3 3.83Å; P76-W80 HydrophobicContact CG-CZ2 3.77Å; P76-W80 PolarHBondContact O-N 3.19Å; L77-W80 HydrophobicContact CD1-CE3 3.94Å; L77-W80 HydrophobicContact CD1-CZ3 4.43Å; L77-W80 PolarHBondContact O-N 3.47Å; W80-N82 VanDerWaalsContact C-N 3.25Å; W80-N82 PolarHBondContact O-N 2.9Å; W80-G93 PolarHBondContact NE1-O 3.47Å; W80-L95 HydrophobicContact CH2-CB 3.7Å; W80-L95 HydrophobicContact CH2-CD1 4.34Å; W80-L95 HydrophobicContact CZ2-CB 3.89Å; W80-L95 VanDerWaalsContact CZ2-N 3.33Å
81L60.9Low63Low31 Ų3148.8 Ų48.816%0.16227%0.266CS..THydrogen-bonded Turntrans-82.1-1179.5-67.7179000113.2L77 Y79 I83 F284L77-L81 HydrophobicContact CD1-CD1 3.92Å; L77-L81 HydrophobicContact CD1-CG 4.05Å; L77-L81 HydrophobicContact CD2-CD1 4.05Å; L77-L81 HydrophobicContact CG-CD1 3.68Å; L77-L81 HydrophobicContact CG-CG 4.14Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 2.64Å; Y79-L81 VanDerWaalsContact C-N 3.31Å; Y79-L81 PolarHBondContact O-N 2.81Å; L81-I83 HydrophobicContact CB-CD1 3.67Å; L81-I83 HydrophobicContact CB-CG1 3.58Å; L81-I83 HydrophobicContact CD1-CD1 3.73Å; L81-I83 HydrophobicContact CG-CD1 4.36Å; L81-I83 PolarHBondContact O-N 2.88Å; L81-F284 HydrophobicContact CD2-CD1 3.55Å; L81-F284 HydrophobicContact CD2-CE1 3.69Å; L81-F284 HydrophobicContact CD2-CG 4.28Å; L81-F284 HydrophobicContact CG-CE1 4.42Å
82N61.3Low61.3Low107 Ų10750.2 Ų50.257%0.57228%0.281SS*.THydrogen-bonded Turntrans47.136.1-176.5-77.6-49.4000113.1T78 Y79 W80 I84T78-N82 PolarHBondContact O-N 3.08Å; Y79-N82 PolarHBondContact O-N 2.77Å; Y79-N82 VanDerWaalsContact O-N 3.08Å; W80-N82 VanDerWaalsContact C-N 3.25Å; W80-N82 PolarHBondContact O-N 2.9Å; N82-I84 VanDerWaalsContact C-N 3.27Å; N82-I84 PolarHBondContact O-N 2.81Å
83I56.7Low59.6Low32 Ų3251.2 Ų51.216%0.16429%0.292CS..  trans-67.3-34.1-173.2-71.3171.2000111.1T78 L81 V276T78-I83 PolarHBondContact O-N 2.94Å; L81-I83 HydrophobicContact CB-CD1 3.67Å; L81-I83 HydrophobicContact CB-CG1 3.58Å; L81-I83 HydrophobicContact CD1-CD1 3.73Å; L81-I83 HydrophobicContact CG-CD1 4.36Å; L81-I83 PolarHBondContact O-N 2.88Å; I83-V276 HydrophobicContact CB-CG2 4.3Å; I83-V276 HydrophobicContact CD1-CG1 4.48Å; I83-V276 HydrophobicContact CD1-CG2 4.31Å; I83-V276 HydrophobicContact CG1-CG2 4.08Å; I83-V276 HydrophobicContact CG2-CG2 3.39Å
84I56Low58.3Low23 Ų2357.1 Ų57.112%0.11832%0.324CS..  trans-122.5122.2176.5-67.3154.6000106Y22 N82 L90 L263Y22-I84 HydrophobicContact CD1-CD1 3.97Å; Y22-I84 HydrophobicContact CD2-CD1 3.69Å; Y22-I84 HydrophobicContact CE1-CD1 3.75Å; Y22-I84 HydrophobicContact CE2-CD1 3.41Å; Y22-I84 VanDerWaalsContact CE2-CD1 3.41Å; Y22-I84 HydrophobicContact CG-CD1 3.95Å; Y22-I84 VanDerWaalsContact CZ-CD1 3.45Å; N82-I84 VanDerWaalsContact C-N 3.27Å; N82-I84 PolarHBondContact O-N 2.81Å; I84-L90 HydrophobicContact CB-CD1 4.4Å; I84-L90 HydrophobicContact CB-CD2 4.12Å; I84-L90 HydrophobicContact CG2-CD1 4.27Å; I84-L90 HydrophobicContact CG2-CD2 4.13Å; I84-L90 WeakPolarHBondContact O-CD1 3.32Å; I84-L263 HydrophobicContact CD1-CD1 4.02Å; I84-L263 HydrophobicContact CG2-CD1 4.08Å
85T51.4Low57.5Low99 Ų9956.3 Ų56.361%0.60732%0.322SS*.  trans-98.29.8179.551.20000112.3L87T85-L87 PolarHBondContact O-N 3.46Å; T85-L87 VanDerWaalsContact O-N 3.13Å
86S51Low56.9Low55 Ų5558.2 Ų58.239%0.38533%0.334SS..  trans-75.3104.3-176.6-49.60000111G88S86-G88 PolarHBondContact O-N 3.49Å
87L44Very low57.1Low187 Ų18759.2 Ų59.298%0.97934%0.339SS*.THydrogen-bonded Turntrans-52.89-174.5-76.4155.1000118.5T85T85-L87 PolarHBondContact O-N 3.46Å; T85-L87 VanDerWaalsContact O-N 3.13Å
88G48Very low57.4Low65 Ų6560.7 Ų60.767%0.6735%0.353SS*.THydrogen-bonded Turntrans-116.7-23.6-163.900000118.5S86S86-G88 PolarHBondContact O-N 3.49Å
89C48.5Very low58.2Low39 Ų3962 Ų6226%0.26436%0.357SS..SBendtrans-155.723.9-163.3-70.90000113.9L263C89-L263 HydrophobicContact CB-CD2 3.22Å
90L53.8Low59.2Low42 Ų4257.5 Ų57.522%0.2234%0.341CS..  trans-90.7127175.2-66.9166.2000108.8I84 G92I84-L90 HydrophobicContact CB-CD1 4.4Å; I84-L90 HydrophobicContact CB-CD2 4.12Å; I84-L90 HydrophobicContact CG2-CD1 4.27Å; I84-L90 HydrophobicContact CG2-CD2 4.13Å; I84-L90 WeakPolarHBondContact O-CD1 3.32Å; L90-G92 PolarHBondContact O-N 2.84Å
91E52.2Low60.2Low40 Ų4054 Ų5419%0.18733%0.327CS..  trans-65.289.8164.4-82.9-179-160.500108.3P76 R259P76-E91 WeakPolarHBondContact CB-O 3.24Å; E91-R259 IonicContact OE1-CZ 2.62Å; E91-R259 VanDerWaalsContact OE1-CZ 3.27Å; E91-R259 IonicContact OE1-NH1 3.85Å; E91-R259 PolarHBondContact OE1-NH1 2.9Å; E91-R259 IonicContact OE1-NH2 3.76Å; E91-R259 PolarHBondContact OE1-NH2 3.48Å; E91-R259 IonicContact OE2-NH2 3.94Å; E91-R259 PolarHBondContact OE2-NH2 3.19Å
92G52.8Low60.9Low30 Ų3053 Ų5331%0.30932%0.322SS..  trans-69159.6171.500000111.6K74 L90K74-G92 PolarHBondContact NZ-O 3Å; L90-G92 PolarHBondContact O-N 2.84Å
93G52.4Low61.6Low25 Ų2550.6 Ų50.626%0.25831%0.309SS..  trans148.5176.5171.100000113.5P76 W80P76-G93 WeakPolarHBondContact CG-O 3.27Å; W80-G93 PolarHBondContact NE1-O 3.47Å
94D54.9Low62.4Low124 Ų12449.8 Ų49.866%0.66331%0.305SS*.  trans-95.5173.4171.8-67.3-35.1000110.9D96D94-D96 PolarHBondContact O-N 3.27Å
95L62.4Low63.2Low46 Ų4650.1 Ų50.124%0.24131%0.308CS..  trans-68.1115175177.561.6000106.6L41 K74 Y75 W80 W306L41-L95 HydrophobicContact CD2-CD2 4.1Å; K74-L95 VanDerWaalsContact O-CD1 3.27Å; K74-L95 WeakPolarHBondContact O-CD1 3.46Å; Y75-L95 HydrophobicContact CD2-CD1 3.8Å; W80-L95 HydrophobicContact CH2-CB 3.7Å; W80-L95 HydrophobicContact CH2-CD1 4.34Å; W80-L95 HydrophobicContact CZ2-CB 3.89Å; W80-L95 VanDerWaalsContact CZ2-N 3.33Å; L95-W306 VanDerWaalsContact O-CH2 3.32Å; L95-W306 WeakPolarHBondContact O-CH2 3.31Å; L95-W306 WeakPolarHBondContact O-CZ2 3.21Å
96D66.6Low64.5Low68 Ų6846.3 Ų46.336%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-131.8146.8-174.4-131.1-12.5000111.6Y73 K74 D94 A98Y73-D96 CarbonylContact C-O 3.58Å; Y73-D96 VanDerWaalsContact CA-O 3.24Å; Y73-D96 WeakPolarHBondContact CA-O 3.44Å; K74-D96 HydrophobicContact CB-CB 4.46Å; K74-D96 PolarHBondContact N-O 3.44Å; K74-D96 PolarHBondContact O-N 3.38Å; D94-D96 PolarHBondContact O-N 3.27Å; D96-A98 PolarHBondContact O-N 2.97Å; D96-A98 VanDerWaalsContact O-N 3.09Å
97I70.9Confident66Low28 Ų2843.7 Ų43.714%0.14427%0.267CS..EExtended strand (participates in β ladder)trans-79.594.6174.8-60.8166.7000107M38 Y73 L100 W306 A307M38-I97 HydrophobicContact CE-CD1 3.9Å; M38-I97 HydrophobicContact CE-CG1 4.34Å; M38-I97 HydrophobicContact CE-CG2 4.28Å; M38-I97 HydrophobicContact SD-CD1 4.35Å; Y73-I97 HydrophobicContact CD1-CB 4.49Å; Y73-I97 HydrophobicContact CD1-CG1 3.92Å; Y73-I97 HydrophobicContact CE1-CG1 4.01Å; I97-L100 HydrophobicContact CG2-CD1 4.03Å; I97-L100 HydrophobicContact CG2-CD2 3.48Å; I97-L100 VanDerWaalsContact CG2-CD2 3.48Å; I97-L100 HydrophobicContact CG2-CG 3.59Å; I97-W306 HydrophobicContact CD1-CZ3 4.47Å; I97-A307 HydrophobicContact CD1-CB 3.77Å
98A73.1Confident67.5Low43 Ų4335.2 Ų35.236%0.35522%0.222SC..EExtended strand (participates in β ladder)trans-80.6-29-174.600000113.1W72 K74 D96W72-A98 PolarHBondContact O-N 3.09Å; K74-A98 HydrophobicContact CB-CB 4.35Å; D96-A98 PolarHBondContact O-N 2.97Å; D96-A98 VanDerWaalsContact O-N 3.09Å
99Y80.5Confident68.6Low35 Ų3533.1 Ų33.114%0.13720%0.196CC..EExtended strand (participates in β ladder)trans-153.3137.7176.2-149.6-87.5000112.7W72 D104 M182 L186 Q189 M191W72-Y99 PolarHBondContact N-O 3.21Å; W72-Y99 PolarHBondContact O-N 2.84Å; Y99-D104 HydrophobicContact CE1-CB 3.89Å; Y99-D104 PolarHBondContact OH-OD2 3.19Å; Y99-M182 HydrophobicContact CD1-CE 3.76Å; Y99-M182 HydrophobicContact CD1-SD 3.86Å; Y99-M182 HydrophobicContact CE1-CE 4.01Å; Y99-M182 HydrophobicContact CE1-SD 4.14Å; Y99-M182 HydrophobicContact CG-SD 4.31Å; Y99-L186 HydrophobicContact CD2-CD2 3.53Å; Y99-L186 HydrophobicContact CE2-CD2 3.99Å; Y99-L186 HydrophobicContact CG-CD2 4.07Å; Y99-Q189 PolarHBondContact OH-NE2 3.48Å; Y99-M191 HydrophobicContact CD2-CE 4.17Å; Y99-M191 HydrophobicContact CD2-SD 4.13Å; Y99-M191 HydrophobicContact CE2-SD 4.2Å
100L82.8Confident69.8Low15 Ų1532.7 Ų32.78%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-121.5116.2172.9-63.5174.7000109.3M38 L45 F48 H71 I97 E102 I103 V311M38-L100 HydrophobicContact CE-CD2 3.32Å; L45-L100 HydrophobicContact CD1-CD1 4.18Å; L45-L100 HydrophobicContact CD1-CD2 4.49Å; F48-L100 HydrophobicContact CE2-CD1 4.09Å; F48-L100 HydrophobicContact CZ-CD1 4.14Å; H71-L100 HydrophobicContact CB-CD2 4.11Å; H71-L100 WeakPolarHBondContact CD2-CD2 3.39Å; I97-L100 HydrophobicContact CG2-CD1 4.03Å; I97-L100 HydrophobicContact CG2-CD2 3.48Å; I97-L100 VanDerWaalsContact CG2-CD2 3.48Å; I97-L100 HydrophobicContact CG2-CG 3.59Å; L100-E102 PolarHBondContact O-N 3.26Å; L100-I103 HydrophobicContact CB-CD1 4.03Å; L100-I103 HydrophobicContact CB-CG1 4.11Å; L100-I103 HydrophobicContact CD1-CD1 3.68Å; L100-I103 HydrophobicContact CD1-CG1 4.48Å; L100-I103 HydrophobicContact CG-CD1 4.44Å; L100-I103 PolarHBondContact O-N 3.23Å; L100-V311 HydrophobicContact CD1-CG2 3.67Å
101S84.2Confident70.5Confident0 Ų034.1 Ų34.10%021%0.207CC..THydrogen-bonded Turntrans-62.1-23.8-178.562.90000114.7H69 V70 I103 D104 W107H69-S101 VanDerWaalsContact CA-OG 3.29Å; H69-S101 WeakPolarHBondContact CA-OG 3.41Å; H69-S101 WeakPolarHBondContact CB-OG 3.22Å; H69-S101 PolarHBondContact ND1-OG 3.23Å; V70-S101 PolarHBondContact N-OG 3.34Å; V70-S101 WeakPolarHBondContact O-CB 3.34Å; V70-S101 PolarHBondContact O-N 3.15Å; V70-S101 PolarHBondContact O-OG 2.9Å; V70-S101 VanDerWaalsContact O-OG 3.11Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.38Å; S101-D104 PolarHBondContact O-N 3.29Å; S101-W107 VanDerWaalsContact CB-CD1 3.46Å
102E75.7Confident71.5Confident9 Ų933.9 Ų33.94%0.04221%0.207CC..THydrogen-bonded Turntrans-69.7-30.5-178.5-7279173.100112.2P35 G36 F48 T51 H69 H71 L100 D104P35-E102 VanDerWaalsContact CA-OE1 3.26Å; P35-E102 WeakPolarHBondContact CA-OE1 3.46Å; P35-E102 HydrophobicContact CB-CG 3.67Å; G36-E102 PolarHBondContact N-OE1 3.17Å; F48-E102 HydrophobicContact CB-CB 4.47Å; F48-E102 HydrophobicContact CD2-CB 3.8Å; F48-E102 HydrophobicContact CD2-CG 4.42Å; T51-E102 HydrophobicContact CG2-CB 4.16Å; T51-E102 WeakPolarHBondContact CG2-O 3.11Å; H69-E102 VanDerWaalsContact CB-OE1 3.26Å; H69-E102 WeakPolarHBondContact CB-OE1 3.34Å; H69-E102 IonicContact CG-OE1 2.74Å; H69-E102 IonicContact ND1-OE1 3.55Å; H71-E102 IonicContact CD2-OE1 3.26Å; H71-E102 IonicContact CD2-OE2 3.6Å; H71-E102 PolarHBondContact CD2-OE2 3.08Å; H71-E102 VanDerWaalsContact CD2-OE2 3.27Å; H71-E102 IonicContact CE1-OE1 2.97Å; H71-E102 VanDerWaalsContact NE2-CD 3.29Å; H71-E102 IonicContact NE2-OE1 3.29Å; H71-E102 PolarHBondContact NE2-OE1 3.26Å; H71-E102 IonicContact NE2-OE2 3.64Å; H71-E102 PolarHBondContact NE2-OE2 3.05Å; L100-E102 PolarHBondContact O-N 3.26Å; E102-D104 VanDerWaalsContact C-N 3.31Å
103I74.9Confident72.5Confident58 Ų5832.5 Ų32.530%0.29719%0.192SC..THydrogen-bonded Turntrans-85.4-15.6-178.8-52.9179.8000110.2F48 L100 S101 P105 V311 L316F48-I103 HydrophobicContact CD1-CD1 4.49Å; F48-I103 HydrophobicContact CD1-CG1 4.45Å; F48-I103 HydrophobicContact CD2-CG1 4.22Å; F48-I103 HydrophobicContact CE1-CD1 4.4Å; F48-I103 HydrophobicContact CG-CG1 4.18Å; F48-I103 HydrophobicContact CZ-CD1 4.4Å; L100-I103 HydrophobicContact CB-CD1 4.03Å; L100-I103 HydrophobicContact CB-CG1 4.11Å; L100-I103 HydrophobicContact CD1-CD1 3.68Å; L100-I103 HydrophobicContact CD1-CG1 4.48Å; L100-I103 HydrophobicContact CG-CD1 4.44Å; L100-I103 PolarHBondContact O-N 3.23Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.38Å; I103-P105 WeakPolarHBondContact O-CD 3.49Å; I103-V311 HydrophobicContact CD1-CG1 4.05Å; I103-L316 HydrophobicContact CG2-CD1 3.93Å
104D74.7Confident73.2Confident15 Ų1534 Ų348%0.0820%0.197CC..  trans-93.4103.7-177.4179.16.3000111.7Y99 S101 E102 T106 W107 K185Y99-D104 HydrophobicContact CE1-CB 3.89Å; Y99-D104 PolarHBondContact OH-OD2 3.19Å; S101-D104 PolarHBondContact O-N 3.29Å; E102-D104 VanDerWaalsContact C-N 3.31Å; D104-T106 VanDerWaalsContact CG-OG1 3.24Å; D104-T106 PolarHBondContact O-N 2.95Å; D104-T106 VanDerWaalsContact O-N 3.12Å; D104-T106 WeakPolarHBondContact OD1-CA 3.3Å; D104-T106 VanDerWaalsContact OD1-CB 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.24Å; D104-T106 PolarHBondContact OD1-N 3.5Å; D104-T106 PolarHBondContact OD1-OG1 3.27Å; D104-T106 PolarHBondContact OD2-OG1 2.85Å; D104-W107 HydrophobicContact CB-CB 4.1Å; D104-W107 VanDerWaalsContact O-CB 3.3Å; D104-W107 WeakPolarHBondContact O-CB 3.37Å; D104-W107 PolarHBondContact O-N 3.44Å; D104-K185 IonicContact OD1-NZ 3.27Å; D104-K185 VanDerWaalsContact OD2-CE 3.24Å; D104-K185 WeakPolarHBondContact OD2-CE 3.28Å; D104-K185 IonicContact OD2-NZ 3.2Å; D104-K185 PolarHBondContact OD2-NZ 3.01Å
105P72Confident74Confident29 Ų2934.1 Ų34.119%0.18820%0.196CC..Hα-helixtrans-63.5-22.818028.6-36.5000112.3I103 W107 T108 D109 L112 L324 L327I103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-W107 PolarHBondContact O-N 3.47Å; P105-T108 PolarHBondContact O-N 2.94Å; P105-T108 PolarHBondContact O-OG1 3.47Å; P105-D109 WeakPolarHBondContact O-CB 3.45Å; P105-D109 PolarHBondContact O-N 2.91Å; P105-L112 HydrophobicContact CB-CD1 3.94Å; P105-L112 HydrophobicContact CG-CD1 4.44Å; P105-L324 HydrophobicContact CB-CD2 4.15Å; P105-L324 HydrophobicContact CG-CD2 3.73Å; P105-L327 HydrophobicContact CB-CD1 4.1Å; P105-L327 HydrophobicContact CG-CD1 4.19Å
106T79Confident74.4Confident20 Ų2036.6 Ų36.612%0.12321%0.209CC..Hα-helixtrans-77.7-11.8178.478.20000111.9D104 L112 T113 L116 K185D104-T106 VanDerWaalsContact CG-OG1 3.24Å; D104-T106 PolarHBondContact O-N 2.95Å; D104-T106 VanDerWaalsContact O-N 3.12Å; D104-T106 WeakPolarHBondContact OD1-CA 3.3Å; D104-T106 VanDerWaalsContact OD1-CB 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.24Å; D104-T106 PolarHBondContact OD1-N 3.5Å; D104-T106 PolarHBondContact OD1-OG1 3.27Å; D104-T106 PolarHBondContact OD2-OG1 2.85Å; T106-L112 HydrophobicContact CG2-CB 4.24Å; T106-T113 PolarHBondContact O-OG1 2.94Å; T106-L116 HydrophobicContact CG2-CD1 3.34Å; T106-K185 PolarHBondContact OG1-NZ 3.23Å
107W83.3Confident74.7Confident0 Ų033.8 Ų33.80%019%0.194CC..Hα-helixtrans-83.9-32.4172.9-170.3-94.9000112.5F67 C68 V70 S101 D104 P105 N162 G163 V178 M182 K185F67-W107 WeakPolarHBondContact CE2-O 3.5Å; F67-W107 AromaticContact CZ-CD1 3.89Å; C68-W107 PolarHBondContact O-NE1 3.08Å; V70-W107 HydrophobicContact CB-CH2 4.41Å; V70-W107 HydrophobicContact CB-CZ2 3.98Å; V70-W107 HydrophobicContact CG2-CH2 4Å; V70-W107 HydrophobicContact CG2-CZ2 3.47Å; V70-W107 VanDerWaalsContact CG2-CZ2 3.47Å; S101-W107 VanDerWaalsContact CB-CD1 3.46Å; D104-W107 HydrophobicContact CB-CB 4.1Å; D104-W107 VanDerWaalsContact O-CB 3.3Å; D104-W107 WeakPolarHBondContact O-CB 3.37Å; D104-W107 PolarHBondContact O-N 3.44Å; P105-W107 PolarHBondContact O-N 3.47Å; W107-N162 WeakPolarHBondContact O-CB 3.47Å; W107-G163 VanDerWaalsContact CE2-CA 3.43Å; W107-G163 VanDerWaalsContact CE2-N 3.27Å; W107-G163 VanDerWaalsContact NE1-CA 3.31Å; W107-G163 PolarHBondContact O-N 2.62Å; W107-V178 HydrophobicContact CH2-CB 4.34Å; W107-V178 HydrophobicContact CZ2-CB 4.08Å; W107-M182 HydrophobicContact CD2-CE 4.16Å; W107-M182 HydrophobicContact CE3-CE 3.69Å; W107-M182 HydrophobicContact CH2-CB 4.23Å; W107-M182 HydrophobicContact CH2-CE 3.76Å; W107-M182 HydrophobicContact CZ2-CE 4.21Å; W107-M182 HydrophobicContact CZ3-CB 4.44Å; W107-M182 HydrophobicContact CZ3-CE 3.48Å; W107-M182 VanDerWaalsContact CZ3-CE 3.48Å; W107-M182 HydrophobicContact CZ3-SD 4.18Å; W107-K185 HydrophobicContact CE3-CD 4.16Å; W107-K185 HydrophobicContact CZ3-CD 4.24Å
108T75.5Confident74.9Confident8 Ų836.3 Ų36.35%0.04921%0.212CC..Hα-helixtrans-90.1-36.2-179.755.20000112.3F67 P105 Q164 Q331F67-T108 HydrophobicContact CE1-CG2 4.29Å; F67-T108 HydrophobicContact CZ-CG2 3.78Å; P105-T108 PolarHBondContact O-N 2.94Å; P105-T108 PolarHBondContact O-OG1 3.47Å; T108-Q164 PolarHBondContact O-NE2 3.05Å; T108-Q331 PolarHBondContact OG1-OE1 2.94Å; T108-Q331 VanDerWaalsContact OG1-OE1 3.05Å
109D71.3Confident74.9Confident21 Ų2136 Ų3611%0.11220%0.203CC..  trans-101.7109.2-177.5-167.7-28.4000112.1P105 S111 L112 T113 Q331P105-D109 WeakPolarHBondContact O-CB 3.45Å; P105-D109 PolarHBondContact O-N 2.91Å; D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 3.36Å; D109-S111 WeakPolarHBondContact OD1-CA 3.33Å; D109-S111 WeakPolarHBondContact OD1-CB 3.15Å; D109-S111 PolarHBondContact OD1-N 2.9Å; D109-L112 HydrophobicContact CB-CB 4.18Å; D109-L112 HydrophobicContact CB-CD1 4.01Å; D109-L112 HydrophobicContact CB-CG 3.98Å; D109-L112 PolarHBondContact O-N 2.76Å; D109-L112 PolarHBondContact OD1-N 2.96Å; D109-T113 PolarHBondContact O-N 3.12Å; D109-T113 PolarHBondContact O-OG1 3.37Å; D109-Q331 HydrophobicContact CB-CG 4.4Å
110S72.8Confident74.6Confident31 Ų3134.8 Ų34.822%0.21720%0.2CC..Hα-helixtrans-60.6-33.6177.3-58.70000113.2T113 T114 N162 Q164S110-T113 WeakPolarHBondContact O-CB 3.35Å; S110-T113 PolarHBondContact O-N 3.2Å; S110-T114 WeakPolarHBondContact O-CB 3.38Å; S110-T114 PolarHBondContact O-N 3.44Å; S110-T114 PolarHBondContact O-OG1 3.12Å; S110-N162 PolarHBondContact OG-ND2 3.16Å; S110-Q164 PolarHBondContact OG-NE2 2.9Å; S110-Q164 PolarHBondContact OG-OE1 3.34Å
111S69.4Low74.1Confident71 Ų7138.7 Ų38.750%0.49723%0.225SC..Hα-helixtrans-65.8-43.4179.8-56.50000110.2D109 T114 I115D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 3.36Å; D109-S111 WeakPolarHBondContact OD1-CA 3.33Å; D109-S111 WeakPolarHBondContact OD1-CB 3.15Å; D109-S111 PolarHBondContact OD1-N 2.9Å; S111-T114 PolarHBondContact O-N 2.62Å; S111-I115 VanDerWaalsContact O-CG1 3.32Å; S111-I115 WeakPolarHBondContact O-CG1 3.37Å; S111-I115 PolarHBondContact O-N 2.59Å
112L73.2Confident73.5Confident35 Ų3544 Ų4418%0.18325%0.252CS..Hα-helixtrans-64-41.2173-66.8-176.1000111.7P105 T106 D109 T114 I115 L116 L327P105-L112 HydrophobicContact CB-CD1 3.94Å; P105-L112 HydrophobicContact CG-CD1 4.44Å; T106-L112 HydrophobicContact CG2-CB 4.24Å; D109-L112 HydrophobicContact CB-CB 4.18Å; D109-L112 HydrophobicContact CB-CD1 4.01Å; D109-L112 HydrophobicContact CB-CG 3.98Å; D109-L112 PolarHBondContact O-N 2.76Å; D109-L112 PolarHBondContact OD1-N 2.96Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 3.45Å; L112-I115 HydrophobicContact CD2-CD1 4.45Å; L112-I115 PolarHBondContact O-N 3.11Å; L112-L116 PolarHBondContact O-N 2.87Å; L112-L116 VanDerWaalsContact O-N 3.12Å; L112-L327 HydrophobicContact CD1-CD1 4.1Å; L112-L327 HydrophobicContact CD1-CD2 3.74Å; L112-L327 HydrophobicContact CD2-CD2 4.12Å; L112-L327 HydrophobicContact CG-CD2 4.36Å
113T72.1Confident73.5Confident1 Ų145 Ų451%0.00626%0.256CS..Hα-helixtrans-59.9-41.3175.7-34.90000111.7T106 D109 S110 L116 N117 P160 F161 N162T106-T113 PolarHBondContact O-OG1 2.94Å; D109-T113 PolarHBondContact O-N 3.12Å; D109-T113 PolarHBondContact O-OG1 3.37Å; S110-T113 WeakPolarHBondContact O-CB 3.35Å; S110-T113 PolarHBondContact O-N 3.2Å; T113-L116 PolarHBondContact O-N 3.41Å; T113-N117 WeakPolarHBondContact O-CB 3.44Å; T113-N117 PolarHBondContact O-N 2.55Å; T113-N117 PolarHBondContact O-ND2 2.92Å; T113-P160 HydrophobicContact CG2-CB 3.94Å; T113-F161 HydrophobicContact CG2-CB 4.21Å; T113-N162 HydrophobicContact CG2-CB 4.28Å
114T68.5Low73.2Confident58 Ų5845.6 Ų45.636%0.35627%0.27SS..Hα-helixtrans-68.8-34.4179.3-61.50000111.9S110 S111 L112 N117 P118 V121S110-T114 WeakPolarHBondContact O-CB 3.38Å; S110-T114 PolarHBondContact O-N 3.44Å; S110-T114 PolarHBondContact O-OG1 3.12Å; S111-T114 PolarHBondContact O-N 2.62Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 3.45Å; T114-N117 CarbonylContact O-C 3.55Å; T114-N117 VanDerWaalsContact O-C 3.26Å; T114-N117 PolarHBondContact O-N 2.74Å; T114-P118 WeakPolarHBondContact O-CA 3.29Å; T114-V121 HydrophobicContact CG2-CG2 4.03Å
115I71.7Confident72.7Confident126 Ų12647.6 Ų47.665%0.64628%0.28SS*.Hα-helixtrans-64-42.4173.4-69.2164.8000111S111 L112S111-I115 VanDerWaalsContact O-CG1 3.32Å; S111-I115 WeakPolarHBondContact O-CG1 3.37Å; S111-I115 PolarHBondContact O-N 2.59Å; L112-I115 HydrophobicContact CD2-CD1 4.45Å; L112-I115 PolarHBondContact O-N 3.11Å
116L70.9Confident72.4Confident97 Ų9748.9 Ų48.951%0.50829%0.289SS..Hα-helixtrans-76.6-23.2179.3-68.1179.2000113.9T106 L112 T113 R188T106-L116 HydrophobicContact CG2-CD1 3.34Å; L112-L116 PolarHBondContact O-N 2.87Å; L112-L116 VanDerWaalsContact O-N 3.12Å; T113-L116 PolarHBondContact O-N 3.41Å; L116-R188 PolarHBondContact O-NH2 2.64Å
117N72.7Confident71.7Confident10 Ų1052.5 Ų52.55%0.05331%0.306CS..  trans-130.866.1-177.4-51-68.6000109.9T113 T114 E119 A120 Y159 R188T113-N117 WeakPolarHBondContact O-CB 3.44Å; T113-N117 PolarHBondContact O-N 2.55Å; T113-N117 PolarHBondContact O-ND2 2.92Å; T114-N117 CarbonylContact O-C 3.55Å; T114-N117 VanDerWaalsContact O-C 3.26Å; T114-N117 PolarHBondContact O-N 2.74Å; N117-E119 WeakPolarHBondContact CA-OE2 3.3Å; N117-E119 WeakPolarHBondContact CB-OE1 3.05Å; N117-E119 PolarHBondContact O-N 2.98Å; N117-A120 HydrophobicContact CB-CB 4.49Å; N117-A120 WeakPolarHBondContact O-CB 3.17Å; N117-A120 PolarHBondContact O-N 2.84Å; N117-Y159 HydrophobicContact CB-CD1 4.43Å; N117-Y159 HydrophobicContact CB-CE1 4.2Å; N117-R188 WeakPolarHBondContact OD1-CD 3.47Å; N117-R188 PolarHBondContact OD1-NE 3.43Å; N117-R188 PolarHBondContact OD1-NH2 2.82Å
118P74.5Confident71Confident81 Ų8153 Ų5353%0.52631%0.31SS..THydrogen-bonded Turntrans-62.3-26.1-177.426.3-35.1000112.2T114 A120 V121T114-P118 WeakPolarHBondContact O-CA 3.29Å; P118-A120 PolarHBondContact O-N 3.47Å; P118-V121 WeakPolarHBondContact O-CB 3.27Å; P118-V121 WeakPolarHBondContact O-CG2 3.47Å; P118-V121 PolarHBondContact O-N 3.37Å; P118-V121 VanDerWaalsContact O-N 3.07Å
119E72.4Confident70.9Confident37 Ų3756 Ų5617%0.17332%0.324CS..Hα-helixtrans-64.2-17.9174.373.8-70.4168.500113.4N117 V121 I122 F123 Y159 R188N117-E119 WeakPolarHBondContact CA-OE2 3.3Å; N117-E119 WeakPolarHBondContact CB-OE1 3.05Å; N117-E119 PolarHBondContact O-N 2.98Å; E119-V121 PolarHBondContact O-N 2.96Å; E119-I122 WeakPolarHBondContact O-CB 3.3Å; E119-I122 PolarHBondContact O-N 3.35Å; E119-F123 HydrophobicContact CB-CE2 4.27Å; E119-F123 HydrophobicContact CG-CE2 4.24Å; E119-F123 WeakPolarHBondContact O-CD2 3.35Å; E119-F123 PolarHBondContact O-N 3.4Å; E119-Y159 HydrophobicContact CG-CE1 4.42Å; E119-Y159 WeakPolarHBondContact OE1-CE1 3.24Å; E119-Y159 PolarHBondContact OE1-OH 3.22Å; E119-R188 VanDerWaalsContact CD-NH1 3.35Å; E119-R188 VanDerWaalsContact CD-NH2 3.26Å; E119-R188 IonicContact OE1-CZ 2.77Å; E119-R188 IonicContact OE1-NH1 3.8Å; E119-R188 PolarHBondContact OE1-NH1 3.15Å; E119-R188 IonicContact OE1-NH2 3.48Å; E119-R188 PolarHBondContact OE1-NH2 3.29Å; E119-R188 IonicContact OE2-CZ 3.41Å; E119-R188 IonicContact OE2-NH1 3.43Å; E119-R188 IonicContact OE2-NH2 2.65Å; E119-R188 PolarHBondContact OE2-NH2 3.25Å
120A75.3Confident70.8Confident9 Ų955.8 Ų55.87%0.07433%0.326CS..Hα-helixtrans-55.7-32.7170.600000111.7N117 P118 I122 F123 A124 Y159N117-A120 HydrophobicContact CB-CB 4.49Å; N117-A120 WeakPolarHBondContact O-CB 3.17Å; N117-A120 PolarHBondContact O-N 2.84Å; P118-A120 PolarHBondContact O-N 3.47Å; A120-I122 VanDerWaalsContact C-N 3.31Å; A120-I122 PolarHBondContact O-N 3.14Å; A120-F123 CarbonylContact O-C 3.58Å; A120-F123 PolarHBondContact O-N 3.36Å; A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 3.3Å; A120-Y159 HydrophobicContact CB-CD1 3.76Å; A120-Y159 HydrophobicContact CB-CG 3.91Å
121V71.6Confident71Confident97 Ų9755.8 Ų55.859%0.58833%0.328SS*.Hα-helixtrans-64.6-37.5176.5-178.60000111.1T114 P118 E119 F123 A124T114-V121 HydrophobicContact CG2-CG2 4.03Å; P118-V121 WeakPolarHBondContact O-CB 3.27Å; P118-V121 WeakPolarHBondContact O-CG2 3.47Å; P118-V121 PolarHBondContact O-N 3.37Å; P118-V121 VanDerWaalsContact O-N 3.07Å; E119-V121 PolarHBondContact O-N 2.96Å; V121-F123 VanDerWaalsContact C-N 3.34Å; V121-A124 PolarHBondContact O-N 3.05Å
122I71.8Confident71.5Confident112 Ų11252.9 Ų52.957%0.57431%0.308SS*.Hα-helixtrans-65.6-41.6176.8-59.4174.2000109.6E119 A120 N125E119-I122 WeakPolarHBondContact O-CB 3.3Å; E119-I122 PolarHBondContact O-N 3.35Å; A120-I122 VanDerWaalsContact C-N 3.31Å; A120-I122 PolarHBondContact O-N 3.14Å; I122-N125 PolarHBondContact O-ND2 3.26Å
123F76.6Confident71.8Confident30 Ų3053.8 Ų53.813%0.13232%0.32CS..Hα-helixtrans-86-6.6-178.4-59.8-66.6000114.6E119 A120 V121 N125 A128 Q129 F149 W150 Y159E119-F123 HydrophobicContact CB-CE2 4.27Å; E119-F123 HydrophobicContact CG-CE2 4.24Å; E119-F123 WeakPolarHBondContact O-CD2 3.35Å; E119-F123 PolarHBondContact O-N 3.4Å; A120-F123 CarbonylContact O-C 3.58Å; A120-F123 PolarHBondContact O-N 3.36Å; V121-F123 VanDerWaalsContact C-N 3.34Å; F123-N125 PolarHBondContact O-N 3.31Å; F123-A128 HydrophobicContact CB-CB 4.36Å; F123-A128 HydrophobicContact CD1-CB 4.2Å; F123-A128 WeakPolarHBondContact O-CB 3.35Å; F123-Q129 PolarHBondContact O-NE2 2.95Å; F123-F149 HydrophobicContact CE1-CZ 4.29Å; F123-F149 AromaticContact CE2-CE2 3.8Å; F123-F149 HydrophobicContact CE2-CE2 3.8Å; F123-F149 AromaticContact CE2-CZ 3.74Å; F123-F149 HydrophobicContact CE2-CZ 3.74Å; F123-F149 HydrophobicContact CZ-CE1 4.29Å; F123-F149 AromaticContact CZ-CE2 3.92Å; F123-F149 HydrophobicContact CZ-CE2 3.92Å; F123-F149 AromaticContact CZ-CZ 3.42Å; F123-F149 HydrophobicContact CZ-CZ 3.42Å; F123-F149 VanDerWaalsContact CZ-CZ 3.42Å; F123-W150 HydrophobicContact CB-CB 3.98Å; F123-W150 HydrophobicContact CB-CG 3.96Å; F123-W150 HydrophobicContact CD1-CB 3.99Å; F123-W150 AromaticContact CD1-CD1 3.97Å; F123-W150 AromaticContact CD1-CD2 3.31Å; F123-W150 HydrophobicContact CD1-CD2 3.31Å; F123-W150 AromaticContact CD1-CE2 3.73Å; F123-W150 AromaticContact CD1-CE3 3.59Å; F123-W150 HydrophobicContact CD1-CE3 3.59Å; F123-W150 AromaticContact CD1-CG 3.5Å; F123-W150 HydrophobicContact CD1-CG 3.5Å; F123-W150 VanDerWaalsContact CD1-CG 3.5Å; F123-W150 HydrophobicContact CD1-CZ2 4.33Å; F123-W150 HydrophobicContact CD1-CZ3 4.21Å; F123-W150 HydrophobicContact CD2-CB 4.16Å; F123-W150 AromaticContact CE1-CD2 3.55Å; F123-W150 HydrophobicContact CE1-CD2 3.55Å; F123-W150 AromaticContact CE1-CE3 3.27Å; F123-W150 HydrophobicContact CE1-CE3 3.27Å; F123-W150 HydrophobicContact CE1-CG 4.14Å; F123-W150 HydrophobicContact CE1-CH2 4.13Å; F123-W150 HydrophobicContact CE1-CZ2 4.37Å; F123-W150 AromaticContact CE1-CZ3 3.6Å; F123-W150 HydrophobicContact CE1-CZ3 3.6Å; F123-W150 HydrophobicContact CG-CB 3.76Å; F123-W150 HydrophobicContact CG-CD2 4.04Å; F123-W150 HydrophobicContact CG-CE3 4.44Å; F123-W150 AromaticContact CG-CG 3.74Å; F123-W150 HydrophobicContact CG-CG 3.74Å; F123-W150 HydrophobicContact CZ-CD2 4.44Å; F123-W150 AromaticContact CZ-CE3 3.9Å; F123-W150 HydrophobicContact CZ-CE3 3.9Å; F123-W150 HydrophobicContact CZ-CZ3 4.33Å; F123-Y159 HydrophobicContact CB-CD2 4.27Å; F123-Y159 HydrophobicContact CD2-CD2 4.01Å; F123-Y159 AromaticContact CD2-CE2 3.79Å; F123-Y159 HydrophobicContact CD2-CE2 3.79Å; F123-Y159 HydrophobicContact CE2-CE2 4.31Å; F123-Y159 HydrophobicContact CG-CD2 4.44Å
124A68.7Low72.1Confident70 Ų7056.1 Ų56.158%0.57934%0.339SS*.THydrogen-bonded Turntrans-72.6-8.2174.900000113.1A120 V121A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 3.3Å; V121-A124 PolarHBondContact O-N 3.05Å
125N63.2Low72.7Confident56 Ų5653.3 Ų53.330%0.29932%0.322SS..SBendtrans-71.7148.8179.583.569.6000111.9I122 F123 I127 A128 Q129I122-N125 PolarHBondContact O-ND2 3.26Å; F123-N125 PolarHBondContact O-N 3.31Å; N125-I127 PolarHBondContact O-N 3.03Å; N125-I127 VanDerWaalsContact O-N 3.15Å; N125-I127 VanDerWaalsContact OD1-CA 3.29Å; N125-I127 WeakPolarHBondContact OD1-CA 3.27Å; N125-I127 WeakPolarHBondContact OD1-CB 3.4Å; N125-I127 WeakPolarHBondContact OD1-CG1 3.39Å; N125-I127 PolarHBondContact OD1-N 3.02Å; N125-A128 PolarHBondContact O-N 3.43Å; N125-A128 VanDerWaalsContact O-N 3.14Å; N125-A128 PolarHBondContact OD1-N 2.64Å; N125-Q129 WeakPolarHBondContact O-CG 3.45Å; N125-Q129 PolarHBondContact O-N 3.4Å
126P66.5Low73.3Confident57 Ų5748.2 Ų48.237%0.3730%0.299SS..Hα-helixtrans-60-26.1-178-26.434.9000115.3G130 I401P126-G130 WeakPolarHBondContact O-CA 3.28Å; P126-G130 PolarHBondContact O-N 2.98Å; P126-I401 HydrophobicContact CB-CD1 3.84Å; P126-I401 HydrophobicContact CG-CB 4.2Å; P126-I401 HydrophobicContact CG-CD1 3.62Å; P126-I401 HydrophobicContact CG-CG1 3.96Å
127I64.3Low73.9Confident96 Ų9648.6 Ų48.649%0.49230%0.3SS..Hα-helixtrans-68.5-47.8176.9-43.3177.5000109.4N125 G130 A131 A384N125-I127 PolarHBondContact O-N 3.03Å; N125-I127 VanDerWaalsContact O-N 3.15Å; N125-I127 VanDerWaalsContact OD1-CA 3.29Å; N125-I127 WeakPolarHBondContact OD1-CA 3.27Å; N125-I127 WeakPolarHBondContact OD1-CB 3.4Å; N125-I127 WeakPolarHBondContact OD1-CG1 3.39Å; N125-I127 PolarHBondContact OD1-N 3.02Å; I127-G130 PolarHBondContact O-N 3.26Å; I127-A131 PolarHBondContact O-N 3.31Å; I127-A384 HydrophobicContact CD1-CB 3.52Å; I127-A384 HydrophobicContact CG1-CB 3.53Å
128A67.8Low74.4Confident9 Ų949.3 Ų49.37%0.07431%0.307CS..Hα-helixtrans-64.9-41.7176.900000111.4F123 N125 A131 W150F123-A128 HydrophobicContact CB-CB 4.36Å; F123-A128 HydrophobicContact CD1-CB 4.2Å; F123-A128 WeakPolarHBondContact O-CB 3.35Å; N125-A128 PolarHBondContact O-N 3.43Å; N125-A128 VanDerWaalsContact O-N 3.14Å; N125-A128 PolarHBondContact OD1-N 2.64Å; A128-A131 WeakPolarHBondContact O-CB 3.47Å; A128-A131 PolarHBondContact O-N 3.27Å; A128-W150 PolarHBondContact O-NE1 2.88Å
129Q72.9Confident74.9Confident73 Ų7345.4 Ų45.434%0.34128%0.282SS..Hα-helixtrans-65.8-38.6174.2-64.3-61-48.200111.8F123 N125 A131 C132 S157F123-Q129 PolarHBondContact O-NE2 2.95Å; N125-Q129 WeakPolarHBondContact O-CG 3.45Å; N125-Q129 PolarHBondContact O-N 3.4Å; Q129-A131 VanDerWaalsContact C-N 3.34Å; Q129-A131 PolarHBondContact O-N 2.89Å; Q129-C132 VanDerWaalsContact O-CB 3.25Å; Q129-C132 WeakPolarHBondContact O-CB 3.1Å; Q129-C132 PolarHBondContact O-N 3.3Å; Q129-C132 VanDerWaalsContact O-N 3.15Å; Q129-S157 PolarHBondContact NE2-OG 2.76Å
130G71.1Confident75.3Confident16 Ų1644.8 Ų44.817%0.16528%0.283CS..Hα-helixtrans-65.4-34.8174.900000112.9P126 I127 C132 A133P126-G130 WeakPolarHBondContact O-CA 3.28Å; P126-G130 PolarHBondContact O-N 2.98Å; I127-G130 PolarHBondContact O-N 3.26Å; G130-C132 PolarHBondContact O-N 2.9Å; G130-A133 VanDerWaalsContact O-CB 3.23Å; G130-A133 WeakPolarHBondContact O-CB 3.45Å; G130-A133 PolarHBondContact O-N 3.44Å
131A76.3Confident75.5Confident31 Ų3152.7 Ų52.726%0.25632%0.316SS..Hα-helixtrans-60.1-26173.400000112.3I127 A128 Q129 A133 A134 D135 L148 W150I127-A131 PolarHBondContact O-N 3.31Å; A128-A131 WeakPolarHBondContact O-CB 3.47Å; A128-A131 PolarHBondContact O-N 3.27Å; Q129-A131 VanDerWaalsContact C-N 3.34Å; Q129-A131 PolarHBondContact O-N 2.89Å; A131-A133 PolarHBondContact O-N 2.96Å; A131-A134 WeakPolarHBondContact O-CB 3.43Å; A131-A134 PolarHBondContact O-N 2.62Å; A131-D135 PolarHBondContact O-N 3.19Å; A131-L148 HydrophobicContact CB-CD2 4.13Å; A131-L148 WeakPolarHBondContact O-CD1 3.23Å; A131-W150 HydrophobicContact CB-CZ2 4.21Å
132C79.6Confident76Confident10 Ų1053.7 Ų53.77%0.06832%0.318CS..Hα-helixtrans-64.4-19.3174.7-570000113.2Q129 G130 A134 D135 A136 C151Q129-C132 VanDerWaalsContact O-CB 3.25Å; Q129-C132 WeakPolarHBondContact O-CB 3.1Å; Q129-C132 PolarHBondContact O-N 3.3Å; Q129-C132 VanDerWaalsContact O-N 3.15Å; G130-C132 PolarHBondContact O-N 2.9Å; C132-A134 VanDerWaalsContact C-N 3.33Å; C132-D135 PolarHBondContact O-N 3.07Å; C132-A136 WeakPolarHBondContact O-CB 3.15Å; C132-A136 PolarHBondContact O-N 3.19Å; C132-C151 WeakPolarHBondContact CA-SG 3.19Å; C132-C151 HydrophobicContact CB-CB 3.62Å; C132-C151 WeakPolarHBondContact CB-SG 3.37Å; C132-C151 PolarHBondContact N-SG 3.41Å; C132-C151 VanDerWaalsContact N-SG 3.43Å; C132-C151 VanDerWaalsContact SG-CA 3.56Å; C132-C151 WeakPolarHBondContact SG-CB 3.38Å; C132-C151 CovalentContact SG-SG 2.04Å; C132-C151 PolarHBondContact SG-SG 3.16Å
133A78.6Confident76.5Confident53 Ų5350.8 Ų50.844%0.43830%0.303SS..Hα-helixtrans-64.2-37.4169.500000112G130 A131 A136 I137G130-A133 VanDerWaalsContact O-CB 3.23Å; G130-A133 WeakPolarHBondContact O-CB 3.45Å; G130-A133 PolarHBondContact O-N 3.44Å; A131-A133 PolarHBondContact O-N 2.96Å; A133-A136 WeakPolarHBondContact O-CB 3.43Å; A133-A136 PolarHBondContact O-N 3.45Å; A133-I137 VanDerWaalsContact O-CG1 3.3Å; A133-I137 WeakPolarHBondContact O-CG1 3.35Å; A133-I137 PolarHBondContact O-N 3.19Å
134A78.5Confident77Confident50 Ų5049.7 Ų49.741%0.41330%0.299SS..Hα-helixtrans-66.8-41.5175.700000111.2A131 C132 A136 I137 A138 L148A131-A134 WeakPolarHBondContact O-CB 3.43Å; A131-A134 PolarHBondContact O-N 2.62Å; C132-A134 VanDerWaalsContact C-N 3.33Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-I137 PolarHBondContact O-N 3.36Å; A134-A138 WeakPolarHBondContact O-CB 3.36Å; A134-A138 PolarHBondContact O-N 2.8Å; A134-L148 HydrophobicContact CB-CD1 4.3Å
135D81.9Confident77.6Confident0 Ų049.9 Ų49.90%029%0.29CS..Hα-helixtrans-64-38.8174.2-166.642.9000112.1A131 C132 A138 S139 L145 L148 C151 G153 K213A131-D135 PolarHBondContact O-N 3.19Å; C132-D135 PolarHBondContact O-N 3.07Å; D135-A138 PolarHBondContact O-N 3.22Å; D135-S139 WeakPolarHBondContact O-CB 3.31Å; D135-S139 PolarHBondContact O-N 2.89Å; D135-S139 PolarHBondContact O-OG 2.96Å; D135-L145 PolarHBondContact OD1-N 2.72Å; D135-L148 HydrophobicContact CB-CB 4.39Å; D135-L148 HydrophobicContact CB-CD1 3.93Å; D135-C151 HydrophobicContact CB-CB 3.86Å; D135-C151 WeakPolarHBondContact OD2-CB 3.14Å; D135-C151 VanDerWaalsContact OD2-O 3.11Å; D135-G153 WeakPolarHBondContact OD2-CA 3.38Å; D135-G153 PolarHBondContact OD2-N 2.98Å; D135-K213 IonicContact OD1-NZ 3.91Å; D135-K213 PolarHBondContact OD1-NZ 3.08Å; D135-K213 VanDerWaalsContact OD1-NZ 3.09Å; D135-K213 IonicContact OD2-NZ 2.59Å; D135-K213 PolarHBondContact OD2-NZ 3.31Å
136A83.7Confident78.7Confident18 Ų1849.2 Ų49.215%0.14929%0.286CS..Hα-helixtrans-61.9-43.5175.400000112C132 A133 A134 S139 A140C132-A136 WeakPolarHBondContact O-CB 3.15Å; C132-A136 PolarHBondContact O-N 3.19Å; A133-A136 WeakPolarHBondContact O-CB 3.43Å; A133-A136 PolarHBondContact O-N 3.45Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A136-S139 PolarHBondContact O-OG 2.96Å; A136-S139 VanDerWaalsContact O-OG 3.12Å; A136-A140 VanDerWaalsContact O-CB 3.22Å; A136-A140 WeakPolarHBondContact O-CB 3.45Å; A136-A140 PolarHBondContact O-N 3.36Å
137I84.2Confident79.4Confident105 Ų10552.3 Ų52.354%0.53830%0.304SS..Hα-helixtrans-66.7-46.9176.4-67.4165.1000110.2A133 A134 S139 A140 F141A133-I137 VanDerWaalsContact O-CG1 3.3Å; A133-I137 WeakPolarHBondContact O-CG1 3.35Å; A133-I137 PolarHBondContact O-N 3.19Å; A134-I137 PolarHBondContact O-N 3.36Å; I137-S139 PolarHBondContact O-N 3.28Å; I137-A140 WeakPolarHBondContact O-CB 3.47Å; I137-A140 PolarHBondContact O-N 3.19Å; I137-F141 HydrophobicContact CG2-CD2 4.02Å; I137-F141 HydrophobicContact CG2-CE2 4.05Å; I137-F141 VanDerWaalsContact O-CD2 3.28Å; I137-F141 WeakPolarHBondContact O-CD2 2.87Å; I137-F141 PolarHBondContact O-N 2.8Å
138A84.2Confident80.3Confident25 Ų2548.9 Ų48.921%0.20729%0.286CS..Hα-helixtrans-59.9-47.7-179.900000112.2A134 D135 A140 F141 N142 M143 L145A134-A138 WeakPolarHBondContact O-CB 3.36Å; A134-A138 PolarHBondContact O-N 2.8Å; D135-A138 PolarHBondContact O-N 3.22Å; A138-A140 VanDerWaalsContact C-N 3.31Å; A138-A140 PolarHBondContact O-N 2.99Å; A138-F141 PolarHBondContact O-N 3.36Å; A138-N142 CarbonylContact O-C 3.43Å; A138-N142 PolarHBondContact O-N 2.94Å; A138-M143 CarbonylContact C-O 3.48Å; A138-M143 VanDerWaalsContact C-O 3.29Å; A138-M143 PolarHBondContact O-N 3.48Å; A138-L145 HydrophobicContact CB-CD1 3.96Å; A138-L145 HydrophobicContact CB-CD2 4.23Å; A138-L145 HydrophobicContact CB-CG 3.7Å
139S83Confident81.3Confident0 Ų050.4 Ų50.40%029%0.291CS..Hα-helixtrans-69.3-25177570000113.8D135 A136 I137 F233 G234 R235D135-S139 WeakPolarHBondContact O-CB 3.31Å; D135-S139 PolarHBondContact O-N 2.89Å; D135-S139 PolarHBondContact O-OG 2.96Å; A136-S139 PolarHBondContact O-OG 2.96Å; A136-S139 VanDerWaalsContact O-OG 3.12Å; I137-S139 PolarHBondContact O-N 3.28Å; S139-F233 WeakPolarHBondContact CB-O 3.41Å; S139-G234 VanDerWaalsContact OG-C 3.28Å; S139-G234 PolarHBondContact OG-O 3.27Å; S139-G234 VanDerWaalsContact OG-O 3.05Å; S139-R235 PolarHBondContact O-NE 3.42Å
140A81.7Confident81.9Confident23 Ų2348.4 Ų48.419%0.1928%0.281CS..Hα-helixtrans-67.5-42.117400000112.3A136 I137 A138 R239A136-A140 VanDerWaalsContact O-CB 3.22Å; A136-A140 WeakPolarHBondContact O-CB 3.45Å; A136-A140 PolarHBondContact O-N 3.36Å; I137-A140 WeakPolarHBondContact O-CB 3.47Å; I137-A140 PolarHBondContact O-N 3.19Å; A138-A140 VanDerWaalsContact C-N 3.31Å; A138-A140 PolarHBondContact O-N 2.99Å; A140-R239 PolarHBondContact O-NH1 3.05Å
141F78.6Confident82.7Confident176 Ų17647.7 Ų47.777%0.77227%0.273SS*.Hα-helixtrans-94-36.8-177-69.1-73.6000113.9I137 A138I137-F141 HydrophobicContact CG2-CD2 4.02Å; I137-F141 HydrophobicContact CG2-CE2 4.05Å; I137-F141 VanDerWaalsContact O-CD2 3.28Å; I137-F141 WeakPolarHBondContact O-CD2 2.87Å; I137-F141 PolarHBondContact O-N 2.8Å; A138-F141 PolarHBondContact O-N 3.36Å
142N82.2Confident83.4Confident117 Ų11746.2 Ų46.263%0.62626%0.261SS*.SBendtrans-140.5-104.7-173.2-169.437.1000111.8A138A138-N142 CarbonylContact O-C 3.43Å; A138-N142 PolarHBondContact O-N 2.94Å
143M83.4Confident83.7Confident51 Ų5145.9 Ų45.925%0.25126%0.259SS..  trans-121.6149.7-174.4-64.7-62.2-69.100109.7A138 E214 P232A138-M143 CarbonylContact C-O 3.48Å; A138-M143 VanDerWaalsContact C-O 3.29Å; A138-M143 PolarHBondContact O-N 3.48Å; M143-E214 HydrophobicContact CE-CB 3.89Å; M143-E214 WeakPolarHBondContact CE-O 3.3Å; M143-P232 HydrophobicContact SD-CB 4.4Å
144P85.8Confident84.1Confident7 Ų745.4 Ų45.45%0.04525%0.252CS..  trans-63.3156.7172.628.9-36000111.3K213 F233P144-K213 HydrophobicContact CB-CB 3.91Å; P144-K213 HydrophobicContact CB-CD 4.41Å; P144-K213 HydrophobicContact CG-CB 3.6Å; P144-F233 HydrophobicContact CG-CB 4.42Å
145L82.8Confident84.5Confident74 Ų7443 Ų4339%0.38723%0.233SC..  trans-90.9106177.6-64.7172.2000109.8D135 A138 V147 L148 K213D135-L145 PolarHBondContact OD1-N 2.72Å; A138-L145 HydrophobicContact CB-CD1 3.96Å; A138-L145 HydrophobicContact CB-CD2 4.23Å; A138-L145 HydrophobicContact CB-CG 3.7Å; L145-V147 PolarHBondContact O-N 3.43Å; L145-L148 HydrophobicContact CB-CB 4.36Å; L145-L148 HydrophobicContact CB-CD1 4.21Å; L145-L148 HydrophobicContact CB-CG 4.23Å; L145-L148 HydrophobicContact CD1-CD1 3.78Å; L145-L148 PolarHBondContact O-N 2.69Å; L145-K213 WeakPolarHBondContact O-CE 3.29Å; L145-K213 PolarHBondContact O-NZ 3.12Å
146D85.7Confident84.7Confident42 Ų4244.3 Ų44.323%0.22525%0.246CC..G310 helixtrans-60.4-29.2178.8-75.81.7000113.3L148 F149 K213 E214D146-L148 PolarHBondContact O-N 2.99Å; D146-F149 PolarHBondContact O-N 3.22Å; D146-K213 WeakPolarHBondContact OD1-CA 3.26Å; D146-K213 WeakPolarHBondContact OD1-CB 3.43Å; D146-K213 PolarHBondContact OD1-N 2.69Å; D146-E214 PolarHBondContact OD1-N 2.59Å; D146-E214 VanDerWaalsContact OD2-CG 3.24Å; D146-E214 WeakPolarHBondContact OD2-CG 3.02Å
147V81.4Confident84.9Confident122 Ų12243.8 Ų43.874%0.73924%0.241SC*.G310 helixtrans-60.9-31175.5-176.60000111.5L145 F149 W150L145-V147 PolarHBondContact O-N 3.43Å; V147-F149 VanDerWaalsContact C-N 3.27Å; V147-F149 PolarHBondContact O-N 2.83Å; V147-W150 WeakPolarHBondContact O-CZ3 3.44Å
148L83.6Confident85.1Confident24 Ų2438.8 Ų38.813%0.12622%0.216CC..G310 helixtrans-93.853.2176.5-58.3179.1000110.1A131 A134 D135 L145 D146 W150 C151 K213A131-L148 HydrophobicContact CB-CD2 4.13Å; A131-L148 WeakPolarHBondContact O-CD1 3.23Å; A134-L148 HydrophobicContact CB-CD1 4.3Å; D135-L148 HydrophobicContact CB-CB 4.39Å; D135-L148 HydrophobicContact CB-CD1 3.93Å; L145-L148 HydrophobicContact CB-CB 4.36Å; L145-L148 HydrophobicContact CB-CD1 4.21Å; L145-L148 HydrophobicContact CB-CG 4.23Å; L145-L148 HydrophobicContact CD1-CD1 3.78Å; L145-L148 PolarHBondContact O-N 2.69Å; D146-L148 PolarHBondContact O-N 2.99Å; L148-W150 HydrophobicContact CD2-CH2 3.44Å; L148-W150 VanDerWaalsContact CD2-CH2 3.44Å; L148-W150 HydrophobicContact CD2-CZ2 3.47Å; L148-W150 VanDerWaalsContact CD2-CZ2 3.47Å; L148-W150 HydrophobicContact CD2-CZ3 4.27Å; L148-W150 PolarHBondContact O-N 3.27Å; L148-W150 VanDerWaalsContact O-N 3.12Å; L148-C151 HydrophobicContact CB-CB 4.23Å; L148-C151 WeakPolarHBondContact O-CB 3.16Å; L148-C151 PolarHBondContact O-N 2.81Å; L148-K213 PolarHBondContact O-NZ 3.24Å
149F87.4Confident85Confident41 Ų4138.3 Ų38.318%0.1821%0.209CC..THydrogen-bonded Turntrans-60.8-22.5-173.464.2-98.3000113.7F123 D146 V147 C151 Y159 F184 I210F123-F149 HydrophobicContact CE1-CZ 4.29Å; F123-F149 AromaticContact CE2-CE2 3.8Å; F123-F149 HydrophobicContact CE2-CE2 3.8Å; F123-F149 AromaticContact CE2-CZ 3.74Å; F123-F149 HydrophobicContact CE2-CZ 3.74Å; F123-F149 HydrophobicContact CZ-CE1 4.29Å; F123-F149 AromaticContact CZ-CE2 3.92Å; F123-F149 HydrophobicContact CZ-CE2 3.92Å; F123-F149 AromaticContact CZ-CZ 3.42Å; F123-F149 HydrophobicContact CZ-CZ 3.42Å; F123-F149 VanDerWaalsContact CZ-CZ 3.42Å; D146-F149 PolarHBondContact O-N 3.22Å; V147-F149 VanDerWaalsContact C-N 3.27Å; V147-F149 PolarHBondContact O-N 2.83Å; F149-C151 PolarHBondContact O-N 3.2Å; F149-Y159 HydrophobicContact CD2-CE2 4.43Å; F149-Y159 HydrophobicContact CE2-CE2 4.13Å; F149-F184 HydrophobicContact CB-CE1 4.02Å; F149-F184 HydrophobicContact CB-CZ 4.39Å; F149-F184 HydrophobicContact CD2-CE1 4.07Å; F149-F184 AromaticContact CD2-CZ 3.84Å; F149-F184 HydrophobicContact CD2-CZ 3.84Å; F149-F184 VanDerWaalsContact O-CE1 3.22Å; F149-F184 WeakPolarHBondContact O-CE1 3.4Å; F149-I210 HydrophobicContact CB-CG2 3.53Å; F149-I210 HydrophobicContact CD1-CG2 4.18Å; F149-I210 HydrophobicContact CD2-CG2 4.45Å; F149-I210 HydrophobicContact CG-CG2 3.81Å
150W85.7Confident85.1Confident32 Ų3240.1 Ų40.112%0.12122%0.221CC..THydrogen-bonded Turntrans-78.8-2.8175.364.493000113.7F123 A128 A131 V147 L148 S157 M158 Y159F123-W150 HydrophobicContact CB-CB 3.98Å; F123-W150 HydrophobicContact CB-CG 3.96Å; F123-W150 HydrophobicContact CD1-CB 3.99Å; F123-W150 AromaticContact CD1-CD1 3.97Å; F123-W150 AromaticContact CD1-CD2 3.31Å; F123-W150 HydrophobicContact CD1-CD2 3.31Å; F123-W150 AromaticContact CD1-CE2 3.73Å; F123-W150 AromaticContact CD1-CE3 3.59Å; F123-W150 HydrophobicContact CD1-CE3 3.59Å; F123-W150 AromaticContact CD1-CG 3.5Å; F123-W150 HydrophobicContact CD1-CG 3.5Å; F123-W150 VanDerWaalsContact CD1-CG 3.5Å; F123-W150 HydrophobicContact CD1-CZ2 4.33Å; F123-W150 HydrophobicContact CD1-CZ3 4.21Å; F123-W150 HydrophobicContact CD2-CB 4.16Å; F123-W150 AromaticContact CE1-CD2 3.55Å; F123-W150 HydrophobicContact CE1-CD2 3.55Å; F123-W150 AromaticContact CE1-CE3 3.27Å; F123-W150 HydrophobicContact CE1-CE3 3.27Å; F123-W150 HydrophobicContact CE1-CG 4.14Å; F123-W150 HydrophobicContact CE1-CH2 4.13Å; F123-W150 HydrophobicContact CE1-CZ2 4.37Å; F123-W150 AromaticContact CE1-CZ3 3.6Å; F123-W150 HydrophobicContact CE1-CZ3 3.6Å; F123-W150 HydrophobicContact CG-CB 3.76Å; F123-W150 HydrophobicContact CG-CD2 4.04Å; F123-W150 HydrophobicContact CG-CE3 4.44Å; F123-W150 AromaticContact CG-CG 3.74Å; F123-W150 HydrophobicContact CG-CG 3.74Å; F123-W150 HydrophobicContact CZ-CD2 4.44Å; F123-W150 AromaticContact CZ-CE3 3.9Å; F123-W150 HydrophobicContact CZ-CE3 3.9Å; F123-W150 HydrophobicContact CZ-CZ3 4.33Å; A128-W150 PolarHBondContact O-NE1 2.88Å; A131-W150 HydrophobicContact CB-CZ2 4.21Å; V147-W150 WeakPolarHBondContact O-CZ3 3.44Å; L148-W150 HydrophobicContact CD2-CH2 3.44Å; L148-W150 VanDerWaalsContact CD2-CH2 3.44Å; L148-W150 HydrophobicContact CD2-CZ2 3.47Å; L148-W150 VanDerWaalsContact CD2-CZ2 3.47Å; L148-W150 HydrophobicContact CD2-CZ3 4.27Å; L148-W150 PolarHBondContact O-N 3.27Å; L148-W150 VanDerWaalsContact O-N 3.12Å; W150-S157 CarbonylContact O-C 3.52Å; W150-S157 WeakPolarHBondContact O-CA 3.31Å; W150-S157 PolarHBondContact O-OG 2.84Å; W150-M158 PolarHBondContact O-N 3.02Å; W150-Y159 HydrophobicContact CB-CD2 3.65Å; W150-Y159 HydrophobicContact CB-CE2 3.74Å
151C88.8Confident85.3Confident0 Ų039.1 Ų39.10%021%0.212CC..BIsolated β-bridgetrans-108.5136.6180-610000111.1C132 D135 L148 F149 K213C132-C151 WeakPolarHBondContact CA-SG 3.19Å; C132-C151 HydrophobicContact CB-CB 3.62Å; C132-C151 WeakPolarHBondContact CB-SG 3.37Å; C132-C151 PolarHBondContact N-SG 3.41Å; C132-C151 VanDerWaalsContact N-SG 3.43Å; C132-C151 VanDerWaalsContact SG-CA 3.56Å; C132-C151 WeakPolarHBondContact SG-CB 3.38Å; C132-C151 CovalentContact SG-SG 2.04Å; C132-C151 PolarHBondContact SG-SG 3.16Å; D135-C151 HydrophobicContact CB-CB 3.86Å; D135-C151 WeakPolarHBondContact OD2-CB 3.14Å; D135-C151 VanDerWaalsContact OD2-O 3.11Å; L148-C151 HydrophobicContact CB-CB 4.23Å; L148-C151 WeakPolarHBondContact O-CB 3.16Å; L148-C151 PolarHBondContact O-N 2.81Å; F149-C151 PolarHBondContact O-N 3.2Å; C151-K213 VanDerWaalsContact O-CD 3.29Å; C151-K213 WeakPolarHBondContact O-CD 3.16Å; C151-K213 PolarHBondContact O-NZ 2.83Å
152A90.2Very high85.7Confident1 Ų130.7 Ų30.71%0.00818%0.175CC..  trans-106.144.9172.700000110S154 Q155 G156 M158 L177 E180 G234A152-S154 PolarHBondContact O-N 3.05Å; A152-Q155 HydrophobicContact CB-CB 4.16Å; A152-Q155 VanDerWaalsContact O-CB 3.26Å; A152-Q155 WeakPolarHBondContact O-CB 3.32Å; A152-Q155 WeakPolarHBondContact O-CG 3.29Å; A152-Q155 PolarHBondContact O-N 2.88Å; A152-G156 WeakPolarHBondContact CA-O 3.37Å; A152-G156 WeakPolarHBondContact CB-O 3.01Å; A152-G156 PolarHBondContact N-O 3.11Å; A152-M158 HydrophobicContact CB-CE 3.89Å; A152-M158 HydrophobicContact CB-CG 3.7Å; A152-L177 HydrophobicContact CB-CD1 3.55Å; A152-E180 WeakPolarHBondContact CB-OE2 3.32Å; A152-G234 VanDerWaalsContact O-CA 3.29Å; A152-G234 WeakPolarHBondContact O-CA 3.26Å
153G86.4Confident85.8Confident3 Ų325.1 Ų25.13%0.03115%0.145CC..G310 helixtrans47.6-126.2-175.900000113.9D135 Q155D135-G153 WeakPolarHBondContact OD2-CA 3.38Å; D135-G153 PolarHBondContact OD2-N 2.98Å; G153-Q155 PolarHBondContact O-N 2.88Å
154S86.7Confident85.9Confident42 Ų4226.1 Ų26.129%0.29415%0.149SC..G310 helixtrans-70.2-11.3179.8-58.40000113.7A152 G234A152-S154 PolarHBondContact O-N 3.05Å; S154-G234 WeakPolarHBondContact CB-O 3.26Å; S154-G234 PolarHBondContact N-O 2.9Å
155Q87.5Confident85.8Confident1 Ų126 Ų261%0.00515%0.148CC..G310 helixtrans-80-27.2-178.9-48.2-54.4-24.700111.9A152 G153 Q173 L176 L177 R235A152-Q155 HydrophobicContact CB-CB 4.16Å; A152-Q155 VanDerWaalsContact O-CB 3.26Å; A152-Q155 WeakPolarHBondContact O-CB 3.32Å; A152-Q155 WeakPolarHBondContact O-CG 3.29Å; A152-Q155 PolarHBondContact O-N 2.88Å; G153-Q155 PolarHBondContact O-N 2.88Å; Q155-Q173 PolarHBondContact O-NE2 2.8Å; Q155-Q173 PolarHBondContact OE1-O 2.94Å; Q155-L176 HydrophobicContact CG-CD2 3.98Å; Q155-L176 HydrophobicContact CG-CG 4.2Å; Q155-L176 VanDerWaalsContact NE2-CD2 3.33Å; Q155-L177 HydrophobicContact CB-CB 3.99Å; Q155-L177 HydrophobicContact CB-CD1 3.95Å; Q155-R235 PolarHBondContact NE2-O 2.94Å
156G85.9Confident85.3Confident26 Ų2626.3 Ų26.327%0.26816%0.157SC..  trans129-153.1177.200000112.5A152A152-G156 WeakPolarHBondContact CA-O 3.37Å; A152-G156 WeakPolarHBondContact CB-O 3.01Å; A152-G156 PolarHBondContact N-O 3.11Å
157S86.9Confident84.5Confident8 Ų828.6 Ų28.66%0.05617%0.169CC..BIsolated β-bridgetrans-90.2140.3176.7-176.10000112Q129 W150 Y159 R181Q129-S157 PolarHBondContact NE2-OG 2.76Å; W150-S157 CarbonylContact O-C 3.52Å; W150-S157 WeakPolarHBondContact O-CA 3.31Å; W150-S157 PolarHBondContact O-OG 2.84Å; S157-Y159 VanDerWaalsContact C-N 3.31Å; S157-Y159 PolarHBondContact OG-N 3.14Å; S157-R181 PolarHBondContact O-NE 3.12Å; S157-R181 PolarHBondContact O-NH2 3.12Å
158M88.5Confident84Confident0 Ų023.4 Ų23.40%014%0.137CC..  trans-71.9-25.2176.5-69.3-176.1165.300112.8W150 A152 P160 F161 E180 R181 F184 L211 K213W150-M158 PolarHBondContact O-N 3.02Å; A152-M158 HydrophobicContact CB-CE 3.89Å; A152-M158 HydrophobicContact CB-CG 3.7Å; M158-P160 CarbonylContact O-C 3.27Å; M158-F161 HydrophobicContact CB-CE1 4.13Å; M158-F161 VanDerWaalsContact O-CD1 3.26Å; M158-F161 WeakPolarHBondContact O-CD1 3.5Å; M158-E180 HydrophobicContact CE-CB 4.31Å; M158-R181 HydrophobicContact CB-CG 4.46Å; M158-R181 WeakPolarHBondContact O-CD 3.15Å; M158-R181 VanDerWaalsContact O-CG 3.22Å; M158-R181 WeakPolarHBondContact O-CG 3.14Å; M158-R181 PolarHBondContact O-NE 3.31Å; M158-F184 HydrophobicContact SD-CD1 3.4Å; M158-F184 WeakPolarHBondContact SD-CD1 3.22Å; M158-F184 HydrophobicContact SD-CE1 4.03Å; M158-F184 HydrophobicContact SD-CG 4.37Å; M158-L211 HydrophobicContact CE-CD2 3.8Å; M158-L211 HydrophobicContact SD-CD2 4.32Å; M158-K213 HydrophobicContact CE-CD 3.66Å; M158-K213 HydrophobicContact CE-CG 4.08Å; M158-K213 HydrophobicContact SD-CD 4.39Å
159Y83.4Confident83.7Confident14 Ų1426.9 Ų26.96%0.05516%0.163CC..  trans-89.8148.4173.1-68.7-72000111.1N117 E119 A120 F123 F149 W150 S157 F161 R181N117-Y159 HydrophobicContact CB-CD1 4.43Å; N117-Y159 HydrophobicContact CB-CE1 4.2Å; E119-Y159 HydrophobicContact CG-CE1 4.42Å; E119-Y159 WeakPolarHBondContact OE1-CE1 3.24Å; E119-Y159 PolarHBondContact OE1-OH 3.22Å; A120-Y159 HydrophobicContact CB-CD1 3.76Å; A120-Y159 HydrophobicContact CB-CG 3.91Å; F123-Y159 HydrophobicContact CB-CD2 4.27Å; F123-Y159 HydrophobicContact CD2-CD2 4.01Å; F123-Y159 AromaticContact CD2-CE2 3.79Å; F123-Y159 HydrophobicContact CD2-CE2 3.79Å; F123-Y159 HydrophobicContact CE2-CE2 4.31Å; F123-Y159 HydrophobicContact CG-CD2 4.44Å; F149-Y159 HydrophobicContact CD2-CE2 4.43Å; F149-Y159 HydrophobicContact CE2-CE2 4.13Å; W150-Y159 HydrophobicContact CB-CD2 3.65Å; W150-Y159 HydrophobicContact CB-CE2 3.74Å; S157-Y159 VanDerWaalsContact C-N 3.31Å; S157-Y159 PolarHBondContact OG-N 3.14Å; Y159-F161 HydrophobicContact CD1-CD1 4.43Å; Y159-F161 HydrophobicContact CD1-CD2 4.26Å; Y159-F161 HydrophobicContact CD1-CE1 4.07Å; Y159-F161 AromaticContact CD1-CE2 3.9Å; Y159-F161 HydrophobicContact CD1-CE2 3.9Å; Y159-F161 HydrophobicContact CD1-CG 4.49Å; Y159-F161 AromaticContact CD1-CZ 3.76Å; Y159-F161 HydrophobicContact CD1-CZ 3.76Å; Y159-F161 AromaticContact CE1-CD2 3.95Å; Y159-F161 HydrophobicContact CE1-CD2 3.95Å; Y159-F161 AromaticContact CE1-CE1 3.93Å; Y159-F161 HydrophobicContact CE1-CE1 3.93Å; Y159-F161 AromaticContact CE1-CE2 3.2Å; Y159-F161 HydrophobicContact CE1-CE2 3.2Å; Y159-F161 AromaticContact CE1-CZ 3.16Å; Y159-F161 HydrophobicContact CE1-CZ 3.16Å; Y159-F161 HydrophobicContact CE2-CZ 4.38Å; Y159-F161 AromaticContact CZ-CE2 3.89Å; Y159-F161 AromaticContact CZ-CZ 3.5Å; Y159-F161 VanDerWaalsContact CZ-CZ 3.5Å; Y159-R181 PolarHBondContact O-NH2 3.39Å
160P84.7Confident83.5Confident39 Ų3925.3 Ų25.325%0.25316%0.157SC..SBendcis-70.6154-13.228.3-33.1000112.9T113 M158 N162 R181T113-P160 HydrophobicContact CG2-CB 3.94Å; M158-P160 CarbonylContact O-C 3.27Å; P160-N162 WeakPolarHBondContact CG-ND2 3.39Å; P160-N162 PolarHBondContact O-N 3.42Å; P160-R181 WeakPolarHBondContact O-CD 3.29Å; P160-R181 PolarHBondContact O-NH1 3.42Å
161F86Confident83.5Confident1 Ų124.4 Ų24.40%0.00416%0.155CC..  trans-75.858.2176.5-60.8-42.2000113.1T113 M158 Y159 R181 F184 K185T113-F161 HydrophobicContact CG2-CB 4.21Å; M158-F161 HydrophobicContact CB-CE1 4.13Å; M158-F161 VanDerWaalsContact O-CD1 3.26Å; M158-F161 WeakPolarHBondContact O-CD1 3.5Å; Y159-F161 HydrophobicContact CD1-CD1 4.43Å; Y159-F161 HydrophobicContact CD1-CD2 4.26Å; Y159-F161 HydrophobicContact CD1-CE1 4.07Å; Y159-F161 AromaticContact CD1-CE2 3.9Å; Y159-F161 HydrophobicContact CD1-CE2 3.9Å; Y159-F161 HydrophobicContact CD1-CG 4.49Å; Y159-F161 AromaticContact CD1-CZ 3.76Å; Y159-F161 HydrophobicContact CD1-CZ 3.76Å; Y159-F161 AromaticContact CE1-CD2 3.95Å; Y159-F161 HydrophobicContact CE1-CD2 3.95Å; Y159-F161 AromaticContact CE1-CE1 3.93Å; Y159-F161 HydrophobicContact CE1-CE1 3.93Å; Y159-F161 AromaticContact CE1-CE2 3.2Å; Y159-F161 HydrophobicContact CE1-CE2 3.2Å; Y159-F161 AromaticContact CE1-CZ 3.16Å; Y159-F161 HydrophobicContact CE1-CZ 3.16Å; Y159-F161 HydrophobicContact CE2-CZ 4.38Å; Y159-F161 AromaticContact CZ-CE2 3.89Å; Y159-F161 AromaticContact CZ-CZ 3.5Å; Y159-F161 VanDerWaalsContact CZ-CZ 3.5Å; F161-R181 HydrophobicContact CD1-CB 4.47Å; F161-F184 HydrophobicContact CD1-CB 4.37Å; F161-F184 HydrophobicContact CE1-CB 3.71Å; F161-F184 HydrophobicContact CE1-CD1 4.21Å; F161-F184 AromaticContact CE1-CD2 3.6Å; F161-F184 HydrophobicContact CE1-CD2 3.6Å; F161-F184 HydrophobicContact CE1-CE2 4.31Å; F161-F184 AromaticContact CE1-CG 3.56Å; F161-F184 HydrophobicContact CE1-CG 3.56Å; F161-F184 AromaticContact CE2-CD2 3.79Å; F161-F184 HydrophobicContact CE2-CD2 3.79Å; F161-F184 HydrophobicContact CE2-CE2 4.12Å; F161-F184 HydrophobicContact CZ-CB 4.14Å; F161-F184 HydrophobicContact CZ-CD1 4.24Å; F161-F184 AromaticContact CZ-CD2 3.07Å; F161-F184 HydrophobicContact CZ-CD2 3.07Å; F161-F184 HydrophobicContact CZ-CE1 4.49Å; F161-F184 AromaticContact CZ-CE2 3.46Å; F161-F184 HydrophobicContact CZ-CE2 3.46Å; F161-F184 VanDerWaalsContact CZ-CE2 3.46Å; F161-F184 AromaticContact CZ-CG 3.55Å; F161-F184 HydrophobicContact CZ-CG 3.55Å; F161-F184 HydrophobicContact CZ-CZ 4.16Å; F161-K185 HydrophobicContact CB-CB 4.23Å; F161-K185 HydrophobicContact CB-CD 4.25Å; F161-K185 HydrophobicContact CB-CG 4.31Å; F161-K185 HydrophobicContact CG-CB 4.37Å; F161-K185 PolarHBondContact O-NZ 2.67Å
162N86Confident83.5Confident0 Ų024.4 Ų24.40%016%0.155CC..SBendtrans-133.5173.8179.972.111.3000110.8W107 S110 T113 P160 Q164 R181W107-N162 WeakPolarHBondContact O-CB 3.47Å; S110-N162 PolarHBondContact OG-ND2 3.16Å; T113-N162 HydrophobicContact CG2-CB 4.28Å; P160-N162 WeakPolarHBondContact CG-ND2 3.39Å; P160-N162 PolarHBondContact O-N 3.42Å; N162-Q164 PolarHBondContact O-N 3.02Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.26Å; N162-Q164 PolarHBondContact OD1-N 3.42Å; N162-Q164 PolarHBondContact OD1-O 3.45Å; N162-R181 PolarHBondContact O-NH1 3.05Å
163G85.4Confident83.4Confident0 Ų025 Ų250%016%0.158CC..SBendtrans-76.2-0.4-179.600000115F67 C68 W107F67-G163 WeakPolarHBondContact CA-O 3.33Å; F67-G163 VanDerWaalsContact CD2-C 3.44Å; F67-G163 WeakPolarHBondContact CD2-O 3.44Å; C68-G163 PolarHBondContact N-O 3.19Å; C68-G163 WeakPolarHBondContact O-CA 3.39Å; W107-G163 VanDerWaalsContact CE2-CA 3.43Å; W107-G163 VanDerWaalsContact CE2-N 3.27Å; W107-G163 VanDerWaalsContact NE1-CA 3.31Å; W107-G163 PolarHBondContact O-N 2.62Å
164Q85Confident83.6Confident72 Ų7224.9 Ų24.934%0.33616%0.156SC..EExtended strand (participates in β ladder)trans-88.5117.5-174.3-63.4177.717.400110.9F67 T108 S110 N162 R181F67-Q164 HydrophobicContact CD2-CG 3.64Å; F67-Q164 HydrophobicContact CE2-CG 4.16Å; T108-Q164 PolarHBondContact O-NE2 3.05Å; S110-Q164 PolarHBondContact OG-NE2 2.9Å; S110-Q164 PolarHBondContact OG-OE1 3.34Å; N162-Q164 PolarHBondContact O-N 3.02Å; N162-Q164 WeakPolarHBondContact OD1-CB 3.26Å; N162-Q164 PolarHBondContact OD1-N 3.42Å; N162-Q164 PolarHBondContact OD1-O 3.45Å; Q164-R181 PolarHBondContact O-NH1 3.45Å
165V84.6Confident83.8Confident4 Ų423 Ų232%0.02414%0.144CC..EExtended strand (participates in β ladder)trans-109.5118176-178.80000108.8G65 A66 L177 V178G65-V165 WeakPolarHBondContact CA-O 3.47Å; A66-V165 HydrophobicContact CB-CB 4.5Å; A66-V165 PolarHBondContact N-O 3.46Å; A66-V165 PolarHBondContact O-N 3.44Å; V165-L177 HydrophobicContact CB-CD2 4.47Å; V165-L177 HydrophobicContact CG1-CD2 3.8Å; V165-L177 HydrophobicContact CG2-CD2 4.01Å; V165-V178 HydrophobicContact CG2-CG1 3.5Å
166S71.5Confident84Confident81 Ų8123 Ų2357%0.56614%0.143SC*.EExtended strand (participates in β ladder)trans-82.5142.9166.345.90000109.7
167N68.1Low84.4Confident90 Ų9022 Ų2248%0.48113%0.132SC..SBendtrans61.456.6178.7-56.8-34.7000114.2N64 S169N64-N167 WeakPolarHBondContact O-CA 3.11Å; N64-N167 PolarHBondContact O-N 3.23Å; N167-S169 PolarHBondContact O-N 2.85Å
168E71.6Confident84.7Confident13 Ų1321.6 Ų21.66%0.06113%0.129CC..  trans-61.1106.3170.1-176.7-171.2173.500110R33 N64 A66 P171R33-E168 IonicContact CZ-OE1 3.67Å; R33-E168 IonicContact NH2-OE1 3.43Å; R33-E168 PolarHBondContact NH2-OE1 3.03Å; R33-E168 IonicContact NH2-OE2 3.31Å; R33-E168 PolarHBondContact NH2-OE2 2Å; N64-E168 PolarHBondContact O-N 2.88Å; A66-E168 HydrophobicContact CB-CB 4.33Å; A66-E168 HydrophobicContact CB-CG 4.49Å; A66-E168 WeakPolarHBondContact CB-OE2 3.47Å; E168-P171 WeakPolarHBondContact OE1-CA 3.45Å; E168-P171 WeakPolarHBondContact OE1-CD 3.34Å; E168-P171 VanDerWaalsContact OE1-CG 3.29Å; E168-P171 WeakPolarHBondContact OE1-CG 3.45Å
169S76.9Confident84.9Confident96 Ų9621.6 Ų21.667%0.67113%0.129SC*.SBendtrans-83.6-39.8171.8620000111N167 Q173N167-S169 PolarHBondContact O-N 2.85Å; S169-Q173 PolarHBondContact OG-OE1 3.06Å
170S83.7Confident85.4Confident9 Ų920.9 Ų20.96%0.06313%0.126CC..  trans-141.4142.5176178.50000110.1L172 Q173 S174 E241S170-L172 PolarHBondContact O-N 2.82Å; S170-L172 VanDerWaalsContact O-N 3.14Å; S170-L172 PolarHBondContact OG-N 3.44Å; S170-Q173 PolarHBondContact O-N 3.31Å; S170-S174 PolarHBondContact O-N 3.34Å; S170-S174 PolarHBondContact O-OG 3.29Å; S170-E241 WeakPolarHBondContact CB-OE2 3.41Å; S170-E241 PolarHBondContact OG-OE2 2.81Å
171P85.8Confident85.8Confident12 Ų1219.3 Ų19.38%0.07812%0.115CC..Hα-helixtrans-53.2-30.4169.5-25.131.8000113.2E168 S174 S175 N245 K251 F253E168-P171 WeakPolarHBondContact OE1-CA 3.45Å; E168-P171 WeakPolarHBondContact OE1-CD 3.34Å; E168-P171 VanDerWaalsContact OE1-CG 3.29Å; E168-P171 WeakPolarHBondContact OE1-CG 3.45Å; P171-S174 WeakPolarHBondContact CA-OG 3.21Å; P171-S174 PolarHBondContact O-OG 3.28Å; P171-S174 VanDerWaalsContact O-OG 3.08Å; P171-S175 VanDerWaalsContact O-CB 3.29Å; P171-S175 WeakPolarHBondContact O-CB 3.42Å; P171-S175 PolarHBondContact O-N 2.87Å; P171-S175 PolarHBondContact O-OG 3.39Å; P171-N245 WeakPolarHBondContact CD-ND2 3.35Å; P171-K251 HydrophobicContact CB-CB 4.2Å; P171-K251 HydrophobicContact CB-CD 4.05Å; P171-K251 HydrophobicContact CB-CG 4.2Å; P171-K251 HydrophobicContact CG-CD 3.73Å; P171-K251 HydrophobicContact CG-CG 4.24Å; P171-F253 HydrophobicContact CB-CE2 3.71Å; P171-F253 HydrophobicContact CB-CZ 4.01Å
172L88Confident86.1Confident0 Ų019.3 Ų19.30%012%0.115CC..Hα-helixtrans-74.4-36.1177.1-77176.6000113.3S170 S175 L176 M220 V237 W240 E241 K244 N245 F253 Y255S170-L172 PolarHBondContact O-N 2.82Å; S170-L172 VanDerWaalsContact O-N 3.14Å; S170-L172 PolarHBondContact OG-N 3.44Å; L172-S175 WeakPolarHBondContact CA-OG 3.39Å; L172-S175 PolarHBondContact O-OG 2.95Å; L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.34Å; L172-L176 PolarHBondContact O-N 3.33Å; L172-M220 HydrophobicContact CD1-CE 4.25Å; L172-M220 HydrophobicContact CD2-CE 3.18Å; L172-M220 HydrophobicContact CG-CE 4.32Å; L172-V237 HydrophobicContact CB-CB 4.41Å; L172-V237 HydrophobicContact CB-CG1 4.43Å; L172-V237 HydrophobicContact CB-CG2 4.38Å; L172-W240 HydrophobicContact CD1-CZ3 4.22Å; L172-E241 HydrophobicContact CD1-CB 3.67Å; L172-K244 HydrophobicContact CD1-CB 4.1Å; L172-N245 HydrophobicContact CD1-CB 4Å; L172-N245 HydrophobicContact CG-CB 4.41Å; L172-F253 HydrophobicContact CD2-CB 4.39Å; L172-F253 HydrophobicContact CD2-CD1 3.24Å; L172-F253 HydrophobicContact CD2-CD2 3.93Å; L172-F253 HydrophobicContact CD2-CE1 3.26Å; L172-F253 HydrophobicContact CD2-CE2 3.94Å; L172-F253 HydrophobicContact CD2-CG 3.58Å; L172-F253 HydrophobicContact CD2-CZ 3.62Å; L172-F253 HydrophobicContact CG-CD1 4.32Å; L172-F253 HydrophobicContact CG-CE1 3.87Å; L172-F253 HydrophobicContact CG-CE2 4.36Å; L172-F253 HydrophobicContact CG-CZ 3.88Å; L172-Y255 WeakPolarHBondContact CD2-OH 3.25Å; L172-Y255 PolarHBondContact O-OH 3.45Å
173Q89.8Confident86.4Confident15 Ų1519.3 Ų19.37%0.0712%0.115CC..Hα-helixtrans-67.8-48.4175.1168.8-104.8-2.700110.8Q155 S169 S170 S175 L176 L177 V237Q155-Q173 PolarHBondContact O-NE2 2.8Å; Q155-Q173 PolarHBondContact OE1-O 2.94Å; S169-Q173 PolarHBondContact OG-OE1 3.06Å; S170-Q173 PolarHBondContact O-N 3.31Å; Q173-S175 PolarHBondContact O-N 3.19Å; Q173-L176 PolarHBondContact O-N 3.05Å; Q173-L177 WeakPolarHBondContact O-CB 3.48Å; Q173-L177 PolarHBondContact O-N 3.34Å; Q173-V237 HydrophobicContact CB-CG2 3.77Å
174S89.6Confident86.7Confident0 Ų019.3 Ų19.30%012%0.115CC..Hα-helixtrans-63.2-40.5178.154.80000112.9S170 P171 L177 V178S170-S174 PolarHBondContact O-N 3.34Å; S170-S174 PolarHBondContact O-OG 3.29Å; P171-S174 WeakPolarHBondContact CA-OG 3.21Å; P171-S174 PolarHBondContact O-OG 3.28Å; P171-S174 VanDerWaalsContact O-OG 3.08Å; S174-L177 PolarHBondContact O-N 3.07Å; S174-V178 PolarHBondContact O-N 2.87Å; S174-V178 VanDerWaalsContact O-N 3.14Å
175S91.3Very high87Confident3 Ų316.3 Ų16.32%0.02110%0.101CC..Hα-helixtrans-69.2-39.1178.350.70000113.2V31 P171 L172 Q173 V178 S179 F253 Y255V31-S175 WeakPolarHBondContact CG2-O 3.32Å; P171-S175 VanDerWaalsContact O-CB 3.29Å; P171-S175 WeakPolarHBondContact O-CB 3.42Å; P171-S175 PolarHBondContact O-N 2.87Å; P171-S175 PolarHBondContact O-OG 3.39Å; L172-S175 WeakPolarHBondContact CA-OG 3.39Å; L172-S175 PolarHBondContact O-OG 2.95Å; Q173-S175 PolarHBondContact O-N 3.19Å; S175-V178 WeakPolarHBondContact O-CG2 3.43Å; S175-S179 PolarHBondContact O-N 2.84Å; S175-S179 PolarHBondContact O-OG 3.31Å; S175-F253 WeakPolarHBondContact OG-CD2 3.26Å; S175-Y255 PolarHBondContact OG-OH 3.26Å
176L91.9Very high87.3Confident0 Ų016.3 Ų16.30%010%0.101CC..Hα-helixtrans-66.3-41.8173.4-179.160.5000111.7Q155 L172 Q173 V178 S179 E180 Y218 V237 W240 Y255Q155-L176 HydrophobicContact CG-CD2 3.98Å; Q155-L176 HydrophobicContact CG-CG 4.2Å; Q155-L176 VanDerWaalsContact NE2-CD2 3.33Å; L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.34Å; L172-L176 PolarHBondContact O-N 3.33Å; Q173-L176 PolarHBondContact O-N 3.05Å; L176-V178 PolarHBondContact O-N 2.9Å; L176-S179 WeakPolarHBondContact O-CB 3.26Å; L176-S179 PolarHBondContact O-N 2.74Å; L176-S179 VanDerWaalsContact O-N 3.12Å; L176-E180 HydrophobicContact CD1-CG 4.31Å; L176-E180 HydrophobicContact CG-CG 4.48Å; L176-E180 PolarHBondContact O-N 3.25Å; L176-Y218 HydrophobicContact CD1-CD1 3.64Å; L176-Y218 HydrophobicContact CD1-CD2 3.71Å; L176-Y218 HydrophobicContact CD1-CE1 3.88Å; L176-Y218 HydrophobicContact CD1-CE2 3.97Å; L176-Y218 HydrophobicContact CD1-CG 3.56Å; L176-Y218 HydrophobicContact CD2-CD1 4.16Å; L176-Y218 HydrophobicContact CD2-CD2 4.21Å; L176-Y218 HydrophobicContact CD2-CE1 3.49Å; L176-Y218 VanDerWaalsContact CD2-CE1 3.49Å; L176-Y218 HydrophobicContact CD2-CE2 3.57Å; L176-Y218 HydrophobicContact CD2-CG 4.48Å; L176-Y218 VanDerWaalsContact CD2-OH 3.29Å; L176-Y218 WeakPolarHBondContact CD2-OH 3.26Å; L176-Y218 HydrophobicContact CG-CD1 4.42Å; L176-Y218 HydrophobicContact CG-CE1 4.19Å; L176-Y218 HydrophobicContact CG-CE2 4.44Å; L176-V237 HydrophobicContact CD2-CG1 3.8Å; L176-W240 HydrophobicContact CD2-CZ2 4.44Å; L176-Y255 HydrophobicContact CD1-CD1 4.37Å; L176-Y255 HydrophobicContact CD1-CE1 4.3Å
177L93.2Very high88.1Confident4 Ų412.5 Ų12.52%0.0217%0.074CC..Hα-helixtrans-55.1-51176.6179.961.6000111.6A152 Q155 V165 Q173 S174 S179 E180 R181A152-L177 HydrophobicContact CB-CD1 3.55Å; Q155-L177 HydrophobicContact CB-CB 3.99Å; Q155-L177 HydrophobicContact CB-CD1 3.95Å; V165-L177 HydrophobicContact CB-CD2 4.47Å; V165-L177 HydrophobicContact CG1-CD2 3.8Å; V165-L177 HydrophobicContact CG2-CD2 4.01Å; Q173-L177 WeakPolarHBondContact O-CB 3.48Å; Q173-L177 PolarHBondContact O-N 3.34Å; S174-L177 PolarHBondContact O-N 3.07Å; L177-S179 PolarHBondContact O-N 3.01Å; L177-E180 PolarHBondContact O-N 2.83Å; L177-R181 HydrophobicContact CD1-CG 4.45Å; L177-R181 VanDerWaalsContact O-CG 3.29Å; L177-R181 WeakPolarHBondContact O-CG 3.5Å; L177-R181 PolarHBondContact O-N 2.92Å
178V93.2Very high89Confident0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-66-29.5-179.6-62.60000112.4V31 C68 V70 W107 V165 S174 S175 L176 M182V31-V178 HydrophobicContact CB-CG2 4.46Å; V31-V178 HydrophobicContact CG1-CG2 3.47Å; V31-V178 VanDerWaalsContact CG1-CG2 3.47Å; V31-V178 HydrophobicContact CG2-CG2 4.14Å; C68-V178 HydrophobicContact CB-CG1 4.39Å; C68-V178 HydrophobicContact CB-CG2 4.01Å; V70-V178 HydrophobicContact CG2-CB 3.9Å; V70-V178 HydrophobicContact CG2-CG2 3.61Å; W107-V178 HydrophobicContact CH2-CB 4.34Å; W107-V178 HydrophobicContact CZ2-CB 4.08Å; V165-V178 HydrophobicContact CG2-CG1 3.5Å; S174-V178 PolarHBondContact O-N 2.87Å; S174-V178 VanDerWaalsContact O-N 3.14Å; S175-V178 WeakPolarHBondContact O-CG2 3.43Å; L176-V178 PolarHBondContact O-N 2.9Å; V178-M182 PolarHBondContact O-N 3.01Å
179S93.2Very high89.5Confident0 Ų015.9 Ų15.90%08%0.083CC..Hα-helixtrans-67.1-45.1173.2-62.20000112.1V31 S175 L176 L177 R181 M182 A183V31-S179 WeakPolarHBondContact CG2-OG 3.41Å; S175-S179 PolarHBondContact O-N 2.84Å; S175-S179 PolarHBondContact O-OG 3.31Å; L176-S179 WeakPolarHBondContact O-CB 3.26Å; L176-S179 PolarHBondContact O-N 2.74Å; L176-S179 VanDerWaalsContact O-N 3.12Å; L177-S179 PolarHBondContact O-N 3.01Å; S179-R181 VanDerWaalsContact C-N 3.33Å; S179-M182 PolarHBondContact O-N 2.94Å; S179-A183 PolarHBondContact O-N 3.44Å; S179-A183 VanDerWaalsContact O-N 3.07Å
180E93.5Very high89.6Confident0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-65.4-37.5176-66.6-172.6-179.700111.3A152 M158 L176 L177 A183 F184 F233 G234A152-E180 WeakPolarHBondContact CB-OE2 3.32Å; M158-E180 HydrophobicContact CE-CB 4.31Å; L176-E180 HydrophobicContact CD1-CG 4.31Å; L176-E180 HydrophobicContact CG-CG 4.48Å; L176-E180 PolarHBondContact O-N 3.25Å; L177-E180 PolarHBondContact O-N 2.83Å; E180-A183 PolarHBondContact O-N 2.89Å; E180-F184 PolarHBondContact O-N 3.47Å; E180-F233 HydrophobicContact CB-CD2 4.27Å; E180-F233 HydrophobicContact CB-CE2 4.08Å; E180-F233 HydrophobicContact CG-CD1 4.49Å; E180-F233 HydrophobicContact CG-CD2 3.84Å; E180-F233 HydrophobicContact CG-CE1 4.44Å; E180-F233 HydrophobicContact CG-CE2 3.81Å; E180-F233 HydrophobicContact CG-CG 4.18Å; E180-F233 HydrophobicContact CG-CZ 4.1Å; E180-F233 WeakPolarHBondContact OE1-CA 3.49Å; E180-G234 PolarHBondContact OE1-N 3.08Å
181R93.4Very high89.4Confident6 Ų617.3 Ų17.32%0.0239%0.089CC..Hα-helixtrans-61.7-41.3172.2-71.7-176177.5175.7-3.7112.5S157 M158 Y159 P160 F161 N162 Q164 L177 S179 F184 K185S157-R181 PolarHBondContact O-NE 3.12Å; S157-R181 PolarHBondContact O-NH2 3.12Å; M158-R181 HydrophobicContact CB-CG 4.46Å; M158-R181 WeakPolarHBondContact O-CD 3.15Å; M158-R181 VanDerWaalsContact O-CG 3.22Å; M158-R181 WeakPolarHBondContact O-CG 3.14Å; M158-R181 PolarHBondContact O-NE 3.31Å; Y159-R181 PolarHBondContact O-NH2 3.39Å; P160-R181 WeakPolarHBondContact O-CD 3.29Å; P160-R181 PolarHBondContact O-NH1 3.42Å; F161-R181 HydrophobicContact CD1-CB 4.47Å; N162-R181 PolarHBondContact O-NH1 3.05Å; Q164-R181 PolarHBondContact O-NH1 3.45Å; L177-R181 HydrophobicContact CD1-CG 4.45Å; L177-R181 VanDerWaalsContact O-CG 3.29Å; L177-R181 WeakPolarHBondContact O-CG 3.5Å; L177-R181 PolarHBondContact O-N 2.92Å; S179-R181 VanDerWaalsContact C-N 3.33Å; R181-F184 PolarHBondContact O-N 3.1Å; R181-K185 WeakPolarHBondContact O-CB 3.41Å; R181-K185 PolarHBondContact O-N 3.29Å
182M92.6Very high89.2Confident0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-62.7-44.6176.3-175.559.777.700110.9V70 W72 Y99 W107 V178 S179 F184 K185 L186V70-M182 HydrophobicContact CB-CE 3.84Å; V70-M182 HydrophobicContact CG1-CB 3.91Å; V70-M182 HydrophobicContact CG1-CE 3.95Å; V70-M182 HydrophobicContact CG1-CG 3.87Å; W72-M182 HydrophobicContact CB-CG 4.46Å; W72-M182 HydrophobicContact CD2-CG 4.33Å; W72-M182 HydrophobicContact CE3-CB 4.24Å; W72-M182 HydrophobicContact CE3-CG 3.75Å; W72-M182 HydrophobicContact CZ3-CB 4.44Å; W72-M182 HydrophobicContact CZ3-CG 4.36Å; Y99-M182 HydrophobicContact CD1-CE 3.76Å; Y99-M182 HydrophobicContact CD1-SD 3.86Å; Y99-M182 HydrophobicContact CE1-CE 4.01Å; Y99-M182 HydrophobicContact CE1-SD 4.14Å; Y99-M182 HydrophobicContact CG-SD 4.31Å; W107-M182 HydrophobicContact CD2-CE 4.16Å; W107-M182 HydrophobicContact CE3-CE 3.69Å; W107-M182 HydrophobicContact CH2-CB 4.23Å; W107-M182 HydrophobicContact CH2-CE 3.76Å; W107-M182 HydrophobicContact CZ2-CE 4.21Å; W107-M182 HydrophobicContact CZ3-CB 4.44Å; W107-M182 HydrophobicContact CZ3-CE 3.48Å; W107-M182 VanDerWaalsContact CZ3-CE 3.48Å; W107-M182 HydrophobicContact CZ3-SD 4.18Å; V178-M182 PolarHBondContact O-N 3.01Å; S179-M182 PolarHBondContact O-N 2.94Å; M182-F184 VanDerWaalsContact C-N 3.33Å; M182-F184 PolarHBondContact O-N 2.84Å; M182-K185 WeakPolarHBondContact O-CB 3.22Å; M182-K185 PolarHBondContact O-N 3.28Å; M182-K185 VanDerWaalsContact O-N 3.15Å; M182-K185 HydrophobicContact SD-CD 4.42Å; M182-L186 HydrophobicContact CG-CD1 4.12Å; M182-L186 HydrophobicContact CG-CG 4.41Å; M182-L186 WeakPolarHBondContact O-CG 3.39Å; M182-L186 PolarHBondContact O-N 2.87Å; M182-L186 HydrophobicContact SD-CD1 4.46Å; M182-L186 HydrophobicContact SD-CG 4.23Å
183A92.2Very high88.6Confident0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-56.4-47.8174.900000111.1W72 S179 E180 K185 L186 H187 W216 F233W72-A183 HydrophobicContact CH2-CB 3.71Å; W72-A183 HydrophobicContact CZ3-CB 4.09Å; S179-A183 PolarHBondContact O-N 3.44Å; S179-A183 VanDerWaalsContact O-N 3.07Å; E180-A183 PolarHBondContact O-N 2.89Å; A183-K185 PolarHBondContact O-N 3.01Å; A183-L186 PolarHBondContact O-N 3.29Å; A183-H187 PolarHBondContact O-CD2 3.25Å; A183-H187 VanDerWaalsContact O-CD2 3.26Å; A183-H187 PolarHBondContact O-N 3.08Å; A183-W216 HydrophobicContact CB-CE3 4.41Å; A183-W216 HydrophobicContact CB-CH2 4.43Å; A183-W216 HydrophobicContact CB-CZ3 4.12Å; A183-F233 HydrophobicContact CB-CE2 4.21Å; A183-F233 HydrophobicContact CB-CZ 4.39Å
184F92.3Very high87.9Confident1 Ų119 Ų190%0.00410%0.096CC..Hα-helixtrans-60.2-46.4175.6-158.8122.4000111.9F149 M158 F161 E180 R181 M182 L186 H187 R188 P209 I210 L211F149-F184 HydrophobicContact CB-CE1 4.02Å; F149-F184 HydrophobicContact CB-CZ 4.39Å; F149-F184 HydrophobicContact CD2-CE1 4.07Å; F149-F184 AromaticContact CD2-CZ 3.84Å; F149-F184 HydrophobicContact CD2-CZ 3.84Å; F149-F184 VanDerWaalsContact O-CE1 3.22Å; F149-F184 WeakPolarHBondContact O-CE1 3.4Å; M158-F184 HydrophobicContact SD-CD1 3.4Å; M158-F184 WeakPolarHBondContact SD-CD1 3.22Å; M158-F184 HydrophobicContact SD-CE1 4.03Å; M158-F184 HydrophobicContact SD-CG 4.37Å; F161-F184 HydrophobicContact CD1-CB 4.37Å; F161-F184 HydrophobicContact CE1-CB 3.71Å; F161-F184 HydrophobicContact CE1-CD1 4.21Å; F161-F184 AromaticContact CE1-CD2 3.6Å; F161-F184 HydrophobicContact CE1-CD2 3.6Å; F161-F184 HydrophobicContact CE1-CE2 4.31Å; F161-F184 AromaticContact CE1-CG 3.56Å; F161-F184 HydrophobicContact CE1-CG 3.56Å; F161-F184 AromaticContact CE2-CD2 3.79Å; F161-F184 HydrophobicContact CE2-CD2 3.79Å; F161-F184 HydrophobicContact CE2-CE2 4.12Å; F161-F184 HydrophobicContact CZ-CB 4.14Å; F161-F184 HydrophobicContact CZ-CD1 4.24Å; F161-F184 AromaticContact CZ-CD2 3.07Å; F161-F184 HydrophobicContact CZ-CD2 3.07Å; F161-F184 HydrophobicContact CZ-CE1 4.49Å; F161-F184 AromaticContact CZ-CE2 3.46Å; F161-F184 HydrophobicContact CZ-CE2 3.46Å; F161-F184 VanDerWaalsContact CZ-CE2 3.46Å; F161-F184 AromaticContact CZ-CG 3.55Å; F161-F184 HydrophobicContact CZ-CG 3.55Å; F161-F184 HydrophobicContact CZ-CZ 4.16Å; E180-F184 PolarHBondContact O-N 3.47Å; R181-F184 PolarHBondContact O-N 3.1Å; M182-F184 VanDerWaalsContact C-N 3.33Å; M182-F184 PolarHBondContact O-N 2.84Å; F184-L186 VanDerWaalsContact C-N 3.31Å; F184-L186 PolarHBondContact O-N 2.74Å; F184-H187 VanDerWaalsContact O-CB 3.28Å; F184-H187 WeakPolarHBondContact O-CB 3.24Å; F184-H187 PolarHBondContact O-N 3.08Å; F184-H187 VanDerWaalsContact O-N 3.14Å; F184-R188 HydrophobicContact CD2-CB 4.49Å; F184-R188 PolarHBondContact O-N 3.23Å; F184-P209 WeakPolarHBondContact CE2-O 3.47Å; F184-I210 HydrophobicContact CZ-CG2 4.39Å; F184-L211 HydrophobicContact CB-CB 4.26Å; F184-L211 HydrophobicContact CB-CD2 4.13Å; F184-L211 HydrophobicContact CD1-CB 3.39Å; F184-L211 HydrophobicContact CD1-CD2 4.01Å; F184-L211 HydrophobicContact CD1-CG 4.36Å; F184-L211 HydrophobicContact CE1-CB 3.78Å; F184-L211 HydrophobicContact CG-CB 3.86Å; F184-L211 HydrophobicContact CG-CD2 4.46Å
185K91.3Very high86.8Confident8 Ų819.4 Ų19.44%0.03510%0.098CC..Hα-helixtrans-55.5-46.9-180-173.5175.2-170.8158.20111.6D104 T106 W107 F161 R181 M182 A183 R188 Q189D104-K185 IonicContact OD1-NZ 3.27Å; D104-K185 VanDerWaalsContact OD2-CE 3.24Å; D104-K185 WeakPolarHBondContact OD2-CE 3.28Å; D104-K185 IonicContact OD2-NZ 3.2Å; D104-K185 PolarHBondContact OD2-NZ 3.01Å; T106-K185 PolarHBondContact OG1-NZ 3.23Å; W107-K185 HydrophobicContact CE3-CD 4.16Å; W107-K185 HydrophobicContact CZ3-CD 4.24Å; F161-K185 HydrophobicContact CB-CB 4.23Å; F161-K185 HydrophobicContact CB-CD 4.25Å; F161-K185 HydrophobicContact CB-CG 4.31Å; F161-K185 HydrophobicContact CG-CB 4.37Å; F161-K185 PolarHBondContact O-NZ 2.67Å; R181-K185 WeakPolarHBondContact O-CB 3.41Å; R181-K185 PolarHBondContact O-N 3.29Å; M182-K185 WeakPolarHBondContact O-CB 3.22Å; M182-K185 PolarHBondContact O-N 3.28Å; M182-K185 VanDerWaalsContact O-N 3.15Å; M182-K185 HydrophobicContact SD-CD 4.42Å; A183-K185 PolarHBondContact O-N 3.01Å; K185-R188 PolarHBondContact O-N 3.27Å; K185-Q189 WeakPolarHBondContact O-CG 3.42Å; K185-Q189 PolarHBondContact O-N 2.85Å
186L89.3Confident85.7Confident4 Ų422.1 Ų22.12%0.02111%0.112CC..Hα-helixtrans-66.5-36.4178.8-65.8173.4000112.5W72 Y99 M182 A183 F184 Q189 G190 M191 I192W72-L186 HydrophobicContact CB-CD1 4.43Å; W72-L186 HydrophobicContact CD2-CD1 3.59Å; W72-L186 HydrophobicContact CE3-CD1 4.23Å; W72-L186 HydrophobicContact CG-CD1 3.68Å; W72-L186 HydrophobicContact CZ2-CD1 4.11Å; Y99-L186 HydrophobicContact CD2-CD2 3.53Å; Y99-L186 HydrophobicContact CE2-CD2 3.99Å; Y99-L186 HydrophobicContact CG-CD2 4.07Å; M182-L186 HydrophobicContact CG-CD1 4.12Å; M182-L186 HydrophobicContact CG-CG 4.41Å; M182-L186 WeakPolarHBondContact O-CG 3.39Å; M182-L186 PolarHBondContact O-N 2.87Å; M182-L186 HydrophobicContact SD-CD1 4.46Å; M182-L186 HydrophobicContact SD-CG 4.23Å; A183-L186 PolarHBondContact O-N 3.29Å; F184-L186 VanDerWaalsContact C-N 3.31Å; F184-L186 PolarHBondContact O-N 2.74Å; L186-Q189 PolarHBondContact O-N 3.45Å; L186-G190 PolarHBondContact O-N 3.26Å; L186-M191 HydrophobicContact CB-CB 4.4Å; L186-M191 HydrophobicContact CD2-CB 4.26Å; L186-M191 HydrophobicContact CD2-CE 4.09Å; L186-M191 HydrophobicContact CD2-CG 4.5Å; L186-M191 HydrophobicContact CD2-SD 3.56Å; L186-M191 VanDerWaalsContact CD2-SD 3.56Å; L186-M191 PolarHBondContact O-N 3.08Å; L186-I192 HydrophobicContact CB-CD1 3.55Å; L186-I192 HydrophobicContact CB-CG1 3.81Å; L186-I192 HydrophobicContact CD1-CD1 4.14Å
187H89.4Confident83.9Confident1 Ų123.5 Ų23.51%0.00513%0.127CC..Hα-helixtrans-59.3-47.6170.1-95.7-85.8000112.1A183 F184 Q189 G190 E194 S208 L211 W216A183-H187 PolarHBondContact O-CD2 3.25Å; A183-H187 VanDerWaalsContact O-CD2 3.26Å; A183-H187 PolarHBondContact O-N 3.08Å; F184-H187 VanDerWaalsContact O-CB 3.28Å; F184-H187 WeakPolarHBondContact O-CB 3.24Å; F184-H187 PolarHBondContact O-N 3.08Å; F184-H187 VanDerWaalsContact O-N 3.14Å; H187-Q189 VanDerWaalsContact C-N 3.33Å; H187-Q189 PolarHBondContact O-N 3.34Å; H187-G190 PolarHBondContact O-N 2.81Å; H187-E194 IonicContact CE1-OE1 2.88Å; H187-E194 PolarHBondContact CE1-OE1 2.81Å; H187-E194 VanDerWaalsContact CE1-OE1 3.31Å; H187-E194 IonicContact NE2-OE1 2.82Å; H187-S208 WeakPolarHBondContact CB-O 3.46Å; H187-S208 PolarHBondContact ND1-O 3.38Å; H187-L211 WeakPolarHBondContact CD2-CD1 3.36Å; H187-L211 WeakPolarHBondContact NE2-CD1 3.36Å; H187-W216 AromaticContact CD2-CZ2 3.92Å; H187-W216 AromaticContact NE2-CE2 3.45Å; H187-W216 AromaticContact NE2-CZ2 3.17Å; H187-W216 WeakPolarHBondContact NE2-CZ2 3.29Å; H187-W216 AromaticContact NE2-NE1 3.36Å; H187-W216 PolarHBondContact NE2-NE1 3.41Å
188R86.1Confident82.2Confident87 Ų8730.8 Ų30.833%0.32816%0.158SC..Hα-helixtrans-65.6-35.6179-173.7-179.6173.8113.2-16.9112.7L116 N117 E119 F184 K185 G190L116-R188 PolarHBondContact O-NH2 2.64Å; N117-R188 WeakPolarHBondContact OD1-CD 3.47Å; N117-R188 PolarHBondContact OD1-NE 3.43Å; N117-R188 PolarHBondContact OD1-NH2 2.82Å; E119-R188 VanDerWaalsContact CD-NH1 3.35Å; E119-R188 VanDerWaalsContact CD-NH2 3.26Å; E119-R188 IonicContact OE1-CZ 2.77Å; E119-R188 IonicContact OE1-NH1 3.8Å; E119-R188 PolarHBondContact OE1-NH1 3.15Å; E119-R188 IonicContact OE1-NH2 3.48Å; E119-R188 PolarHBondContact OE1-NH2 3.29Å; E119-R188 IonicContact OE2-CZ 3.41Å; E119-R188 IonicContact OE2-NH1 3.43Å; E119-R188 IonicContact OE2-NH2 2.65Å; E119-R188 PolarHBondContact OE2-NH2 3.25Å; F184-R188 HydrophobicContact CD2-CB 4.49Å; F184-R188 PolarHBondContact O-N 3.23Å; K185-R188 PolarHBondContact O-N 3.27Å; R188-G190 PolarHBondContact O-N 2.88Å
189Q82Confident80.3Confident87 Ų8737.4 Ų37.441%0.40719%0.193SC..THydrogen-bonded Turntrans-74.7-5.3174.3-70.9170.7-30.600113Y99 K185 L186 H187 M191Y99-Q189 PolarHBondContact OH-NE2 3.48Å; K185-Q189 WeakPolarHBondContact O-CG 3.42Å; K185-Q189 PolarHBondContact O-N 2.85Å; L186-Q189 PolarHBondContact O-N 3.45Å; H187-Q189 VanDerWaalsContact C-N 3.33Å; H187-Q189 PolarHBondContact O-N 3.34Å; Q189-M191 HydrophobicContact CB-CG 4.16Å; Q189-M191 HydrophobicContact CB-SD 4.43Å; Q189-M191 PolarHBondContact O-N 2.76Å
190G79Confident78.4Confident33 Ų3341.6 Ų41.634%0.3422%0.216SC..THydrogen-bonded Turntrans7215.1-178.700000114L186 H187 R188 I192L186-G190 PolarHBondContact O-N 3.26Å; H187-G190 PolarHBondContact O-N 2.81Å; R188-G190 PolarHBondContact O-N 2.88Å; G190-I192 VanDerWaalsContact C-N 3.3Å
191M79.8Confident76.5Confident103 Ų10343.1 Ų43.151%0.50723%0.229SC..  trans-78.4-18.2177.2-65.8-178.968.500112.4Y99 L186 Q189Y99-M191 HydrophobicContact CD2-CE 4.17Å; Y99-M191 HydrophobicContact CD2-SD 4.13Å; Y99-M191 HydrophobicContact CE2-SD 4.2Å; L186-M191 HydrophobicContact CB-CB 4.4Å; L186-M191 HydrophobicContact CD2-CB 4.26Å; L186-M191 HydrophobicContact CD2-CE 4.09Å; L186-M191 HydrophobicContact CD2-CG 4.5Å; L186-M191 HydrophobicContact CD2-SD 3.56Å; L186-M191 VanDerWaalsContact CD2-SD 3.56Å; L186-M191 PolarHBondContact O-N 3.08Å; Q189-M191 HydrophobicContact CB-CG 4.16Å; Q189-M191 HydrophobicContact CB-SD 4.43Å; Q189-M191 PolarHBondContact O-N 2.76Å
192I81.3Confident74.9Confident2 Ų242.9 Ų42.91%0.0123%0.228CC..SBendtrans-114.2119.7175.2-57.5177.1000108.9M26 W72 L186 G190 W216M26-I192 HydrophobicContact CE-CD1 3.89Å; M26-I192 HydrophobicContact CE-CG1 3.73Å; M26-I192 HydrophobicContact CE-CG2 4.22Å; W72-I192 HydrophobicContact CZ2-CD1 4.19Å; L186-I192 HydrophobicContact CB-CD1 3.55Å; L186-I192 HydrophobicContact CB-CG1 3.81Å; L186-I192 HydrophobicContact CD1-CD1 4.14Å; G190-I192 VanDerWaalsContact C-N 3.3Å; I192-W216 HydrophobicContact CD1-CH2 3.95Å; I192-W216 HydrophobicContact CD1-CZ2 4.2Å; I192-W216 HydrophobicContact CG2-CZ2 4.13Å
193M76.7Confident73.3Confident57 Ų5744.2 Ų44.228%0.28124%0.237SC..EExtended strand (participates in β ladder)trans-94.6150.3176.3-56.7-65.5-79.400110.4E205 P207 R259M193-E205 HydrophobicContact CB-CB 3.97Å; M193-E205 HydrophobicContact CE-CB 4.27Å; M193-P207 HydrophobicContact SD-CB 3.98Å; M193-R259 PolarHBondContact O-NH1 3.45Å
194E74.4Confident72Confident2 Ų249.7 Ų49.71%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-126.5162-179.8-77.1-76.817200111H187 E205 Y206 P212 R215 W216 R259H187-E194 IonicContact CE1-OE1 2.88Å; H187-E194 PolarHBondContact CE1-OE1 2.81Å; H187-E194 VanDerWaalsContact CE1-OE1 3.31Å; H187-E194 IonicContact NE2-OE1 2.82Å; E194-E205 CarbonylContact O-C 3.57Å; E194-E205 WeakPolarHBondContact O-CA 3.36Å; E194-Y206 VanDerWaalsContact C-CE1 3.45Å; E194-Y206 HydrophobicContact CB-CE1 3.95Å; E194-Y206 HydrophobicContact CB-CE2 4.21Å; E194-Y206 WeakPolarHBondContact CB-OH 3.34Å; E194-Y206 PolarHBondContact N-O 3.35Å; E194-Y206 WeakPolarHBondContact O-CD1 3.2Å; E194-Y206 WeakPolarHBondContact O-CE1 3.45Å; E194-Y206 PolarHBondContact O-N 2.94Å; E194-P212 HydrophobicContact CG-CG 4.36Å; E194-R215 IonicContact OE2-CZ 2.94Å; E194-R215 IonicContact OE2-NE 3.77Å; E194-R215 IonicContact OE2-NH1 2.88Å; E194-R215 PolarHBondContact OE2-NH1 2.93Å; E194-R215 VanDerWaalsContact OE2-NH1 3.16Å; E194-R215 IonicContact OE2-NH2 3.78Å; E194-W216 PolarHBondContact OE1-NE1 3.26Å; E194-R259 VanDerWaalsContact OE1-CD 3.27Å; E194-R259 WeakPolarHBondContact OE1-CD 3.37Å
195T67.7Low70.8Confident9 Ų953.8 Ų53.86%0.05529%0.285CS..  trans-132.3117.7175.653.50000108E205 R215 L262T195-E205 HydrophobicContact CG2-CB 4.5Å; T195-E205 HydrophobicContact CG2-CG 3.79Å; T195-R215 PolarHBondContact O-NH1 3.17Å; T195-R215 PolarHBondContact O-NH2 3.13Å; T195-L262 WeakPolarHBondContact CB-O 3.43Å; T195-L262 PolarHBondContact OG1-N 3.45Å; T195-L262 PolarHBondContact OG1-O 3.39Å
196I67.1Low69.7Low61 Ų6156.1 Ų56.131%0.31329%0.294SS..  trans-110.5142.6-175-84.4171.9000109.8K198 A201 V202 Y206I196-K198 HydrophobicContact CG2-CB 3.55Å; I196-K198 PolarHBondContact O-N 3.27Å; I196-A201 CarbonylContact O-C 3.46Å; I196-V202 WeakPolarHBondContact O-CG2 3.29Å; I196-V202 PolarHBondContact O-N 3.46Å; I196-Y206 HydrophobicContact CB-CE1 3.94Å; I196-Y206 HydrophobicContact CD1-CE1 4.27Å; I196-Y206 HydrophobicContact CD1-CE2 4.38Å; I196-Y206 WeakPolarHBondContact CD1-OH 3.48Å; I196-Y206 HydrophobicContact CG1-CE1 3.98Å; I196-Y206 WeakPolarHBondContact CG1-OH 3.41Å
197G55.1Low69.1Low29 Ų2959.4 Ų59.430%0.29932%0.316SS..SBendtrans-69.525.9176.200000116.9Q4Q4-G197 PolarHBondContact NE2-O 3.34Å
198K57.1Low68.8Low156 Ų15660.1 Ų60.168%0.67832%0.321SS*.SBendtrans-113.5115-174.7-163.7174.4-176179.20108.8I196 A201I196-K198 HydrophobicContact CG2-CB 3.55Å; I196-K198 PolarHBondContact O-N 3.27Å; K198-A201 WeakPolarHBondContact O-CB 3.44Å; K198-A201 PolarHBondContact O-N 3.24Å
199N53.2Low68.6Low139 Ų13959.6 Ų59.674%0.74333%0.329SS*.THydrogen-bonded Turntrans3291.8170.7-64-13000115.8A201N199-A201 PolarHBondContact O-N 3.35Å
200N52.3Low68.7Low88 Ų8859.6 Ų59.647%0.47133%0.331SS..THydrogen-bonded Turntrans61-3.1176.3-54.4-6000115.4I5 V202 C203I5-N200 PolarHBondContact O-OD1 3.15Å; N200-V202 PolarHBondContact O-N 2.77Å; N200-C203 VanDerWaalsContact O-CB 3.26Å; N200-C203 WeakPolarHBondContact O-CB 3.37Å; N200-C203 PolarHBondContact O-N 2.93Å; N200-C203 PolarHBondContact O-SG 2.98Å
201A53.9Low69.2Low33 Ų3358 Ų5827%0.27331%0.314SS..THydrogen-bonded Turntrans-78-3.1176.400000113.8I196 K198 N199 N204I196-A201 CarbonylContact O-C 3.46Å; K198-A201 WeakPolarHBondContact O-CB 3.44Å; K198-A201 PolarHBondContact O-N 3.24Å; N199-A201 PolarHBondContact O-N 3.35Å; A201-N204 VanDerWaalsContact O-O 3.06Å
202V59.8Low69.5Low0 Ų053.7 Ų53.70%029%0.294CS..THydrogen-bonded Turntrans-75.5-20.2169.1-173.90000110.8Q4 A19 I196 N200 N204 L262 M264Q4-V202 HydrophobicContact CG-CB 4.4Å; Q4-V202 HydrophobicContact CG-CG2 3.96Å; A19-V202 HydrophobicContact CB-CG2 4.14Å; I196-V202 WeakPolarHBondContact O-CG2 3.29Å; I196-V202 PolarHBondContact O-N 3.46Å; N200-V202 PolarHBondContact O-N 2.77Å; V202-N204 VanDerWaalsContact C-N 3.34Å; V202-L262 HydrophobicContact CG1-CB 4.47Å; V202-L262 HydrophobicContact CG2-CD2 4.08Å; V202-M264 HydrophobicContact CG1-CB 3.85Å
203C59.8Low69.9Low29 Ų2953.7 Ų53.720%0.19629%0.294CS..SBendtrans-76.9-22.9-172.8-47.60000113.4C6 N200C6-C203 WeakPolarHBondContact CA-SG 3.48Å; C6-C203 HydrophobicContact CB-CB 3.64Å; C6-C203 WeakPolarHBondContact CB-SG 2.9Å; C6-C203 WeakPolarHBondContact SG-CA 3.41Å; C6-C203 WeakPolarHBondContact SG-CB 3.2Å; C6-C203 CovalentContact SG-SG 2Å; C6-C203 PolarHBondContact SG-SG 3.47Å; N200-C203 VanDerWaalsContact O-CB 3.26Å; N200-C203 WeakPolarHBondContact O-CB 3.37Å; N200-C203 PolarHBondContact O-N 2.93Å; N200-C203 PolarHBondContact O-SG 2.98Å
204N63.7Low70.4Confident114 Ų11455.8 Ų55.861%0.6130%0.303SS*.SBendtrans-135.7143.3-176.7-58.9-56.2000108.7A201 V202A201-N204 VanDerWaalsContact O-O 3.06Å; V202-N204 VanDerWaalsContact C-N 3.34Å
205E68.3Low71Confident87 Ų8756.4 Ų56.441%0.40731%0.306SS..  trans-71137.1164.6-67.4178.3-172.100109.3M193 E194 T195M193-E205 HydrophobicContact CB-CB 3.97Å; M193-E205 HydrophobicContact CE-CB 4.27Å; E194-E205 CarbonylContact O-C 3.57Å; E194-E205 WeakPolarHBondContact O-CA 3.36Å; T195-E205 HydrophobicContact CG2-CB 4.5Å; T195-E205 HydrophobicContact CG2-CG 3.79Å
206Y68.3Low72.1Confident57 Ų5756 Ų5622%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-131.6146179.372.1-83.7000110.3E194 I196 S208E194-Y206 VanDerWaalsContact C-CE1 3.45Å; E194-Y206 HydrophobicContact CB-CE1 3.95Å; E194-Y206 HydrophobicContact CB-CE2 4.21Å; E194-Y206 WeakPolarHBondContact CB-OH 3.34Å; E194-Y206 PolarHBondContact N-O 3.35Å; E194-Y206 WeakPolarHBondContact O-CD1 3.2Å; E194-Y206 WeakPolarHBondContact O-CE1 3.45Å; E194-Y206 PolarHBondContact O-N 2.94Å; I196-Y206 HydrophobicContact CB-CE1 3.94Å; I196-Y206 HydrophobicContact CD1-CE1 4.27Å; I196-Y206 HydrophobicContact CD1-CE2 4.38Å; I196-Y206 WeakPolarHBondContact CD1-OH 3.48Å; I196-Y206 HydrophobicContact CG1-CE1 3.98Å; I196-Y206 WeakPolarHBondContact CG1-OH 3.41Å; Y206-S208 PolarHBondContact O-N 3.3Å
207P76.9Confident73.3Confident74 Ų7456.6 Ų56.648%0.48130%0.301SS..EExtended strand (participates in β ladder)trans-71.8130.4176.729.2-32.4000109.8M193 P209M193-P207 HydrophobicContact SD-CB 3.98Å; P207-P209 WeakPolarHBondContact O-CD 3.5Å
208S82.3Confident75Confident16 Ų1655.2 Ų55.211%0.11229%0.287CS..  trans-111.593.4176.3-170.50000109.4H187 Y206 I210H187-S208 WeakPolarHBondContact CB-O 3.46Å; H187-S208 PolarHBondContact ND1-O 3.38Å; Y206-S208 PolarHBondContact O-N 3.3Å; S208-I210 PolarHBondContact O-N 3.15Å; S208-I210 PolarHBondContact OG-O 3Å
209P82Confident76.5Confident76 Ų7648.5 Ų48.549%0.49426%0.258SS..SBendtrans-68.2-20.7-176.427-35000113.3F184 P207F184-P209 WeakPolarHBondContact CE2-O 3.47Å; P207-P209 WeakPolarHBondContact O-CD 3.5Å
210I84.3Confident78.1Confident86 Ų8642 Ų4244%0.44122%0.223SC..SBendtrans-99.4126.6169.5-58.8177.1000107.2F149 F184 S208 P212F149-I210 HydrophobicContact CB-CG2 3.53Å; F149-I210 HydrophobicContact CD1-CG2 4.18Å; F149-I210 HydrophobicContact CD2-CG2 4.45Å; F149-I210 HydrophobicContact CG-CG2 3.81Å; F184-I210 HydrophobicContact CZ-CG2 4.39Å; S208-I210 PolarHBondContact O-N 3.15Å; S208-I210 PolarHBondContact OG-O 3Å; I210-P212 VanDerWaalsContact O-CD 3.27Å; I210-P212 WeakPolarHBondContact O-CD 3.27Å
211L88.5Confident79.7Confident0 Ų039.4 Ų39.40%021%0.211CC..  trans-66117.8178.8179.470.3000110.7M158 F184 H187 K213 W216 F233M158-L211 HydrophobicContact CE-CD2 3.8Å; M158-L211 HydrophobicContact SD-CD2 4.32Å; F184-L211 HydrophobicContact CB-CB 4.26Å; F184-L211 HydrophobicContact CB-CD2 4.13Å; F184-L211 HydrophobicContact CD1-CB 3.39Å; F184-L211 HydrophobicContact CD1-CD2 4.01Å; F184-L211 HydrophobicContact CD1-CG 4.36Å; F184-L211 HydrophobicContact CE1-CB 3.78Å; F184-L211 HydrophobicContact CG-CB 3.86Å; F184-L211 HydrophobicContact CG-CD2 4.46Å; H187-L211 WeakPolarHBondContact CD2-CD1 3.36Å; H187-L211 WeakPolarHBondContact NE2-CD1 3.36Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 HydrophobicContact CD2-CG 4.07Å; L211-K213 HydrophobicContact CG-CG 4.24Å; L211-K213 PolarHBondContact O-N 3.04Å; L211-W216 HydrophobicContact CD1-CD2 4.2Å; L211-W216 HydrophobicContact CD1-CG 4.15Å; L211-F233 HydrophobicContact CD2-CD2 4.07Å; L211-F233 HydrophobicContact CD2-CE2 4Å
212P87.2Confident80.8Confident13 Ų1338.1 Ų38.18%0.08420%0.199CC..  trans-78.382171.732.4-32.7000109.7E194 I210 E214 R215E194-P212 HydrophobicContact CG-CG 4.36Å; I210-P212 VanDerWaalsContact O-CD 3.27Å; I210-P212 WeakPolarHBondContact O-CD 3.27Å; P212-E214 PolarHBondContact O-N 2.83Å; P212-E214 VanDerWaalsContact O-N 3.08Å; P212-R215 HydrophobicContact CB-CG 4.34Å; P212-R215 PolarHBondContact O-N 2.66Å
213K88.9Confident81.3Confident1 Ų141 Ų410%0.00421%0.213CC..G310 helixtrans-53.7-32.4-173.1-59.4-177.9-64179.60113D135 P144 L145 D146 L148 C151 M158 L211 R215 W216 F233D135-K213 IonicContact OD1-NZ 3.91Å; D135-K213 PolarHBondContact OD1-NZ 3.08Å; D135-K213 VanDerWaalsContact OD1-NZ 3.09Å; D135-K213 IonicContact OD2-NZ 2.59Å; D135-K213 PolarHBondContact OD2-NZ 3.31Å; P144-K213 HydrophobicContact CB-CB 3.91Å; P144-K213 HydrophobicContact CB-CD 4.41Å; P144-K213 HydrophobicContact CG-CB 3.6Å; L145-K213 WeakPolarHBondContact O-CE 3.29Å; L145-K213 PolarHBondContact O-NZ 3.12Å; D146-K213 WeakPolarHBondContact OD1-CA 3.26Å; D146-K213 WeakPolarHBondContact OD1-CB 3.43Å; D146-K213 PolarHBondContact OD1-N 2.69Å; L148-K213 PolarHBondContact O-NZ 3.24Å; C151-K213 VanDerWaalsContact O-CD 3.29Å; C151-K213 WeakPolarHBondContact O-CD 3.16Å; C151-K213 PolarHBondContact O-NZ 2.83Å; M158-K213 HydrophobicContact CE-CD 3.66Å; M158-K213 HydrophobicContact CE-CG 4.08Å; M158-K213 HydrophobicContact SD-CD 4.39Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 HydrophobicContact CD2-CG 4.07Å; L211-K213 HydrophobicContact CG-CG 4.24Å; L211-K213 PolarHBondContact O-N 3.04Å; K213-R215 PolarHBondContact O-N 3.44Å; K213-R215 VanDerWaalsContact O-N 3.12Å; K213-W216 PolarHBondContact O-N 2.83Å; K213-W216 VanDerWaalsContact O-N 3.1Å; K213-F233 HydrophobicContact CB-CB 4.42Å
214E87.1Confident82.2Confident101 Ų10145.2 Ų45.247%0.47223%0.226SC..G310 helixtrans-61.7-19.1177.978.5-178.9-174.800113.7M143 D146 P212M143-E214 HydrophobicContact CE-CB 3.89Å; M143-E214 WeakPolarHBondContact CE-O 3.3Å; D146-E214 PolarHBondContact OD1-N 2.59Å; D146-E214 VanDerWaalsContact OD2-CG 3.24Å; D146-E214 WeakPolarHBondContact OD2-CG 3.02Å; P212-E214 PolarHBondContact O-N 2.83Å; P212-E214 VanDerWaalsContact O-N 3.08Å
215R87.1Confident82.7Confident16 Ų1641.7 Ų41.76%0.0621%0.209CC..G310 helixtrans-100.58.3-179.2-56.6-176.267.1-178.110.1112.9W23 E194 T195 P212 K213 R259 K260W23-R215 VanDerWaalsContact CZ3-O 3.26Å; W23-R215 WeakPolarHBondContact CZ3-O 3.12Å; E194-R215 IonicContact OE2-CZ 2.94Å; E194-R215 IonicContact OE2-NE 3.77Å; E194-R215 IonicContact OE2-NH1 2.88Å; E194-R215 PolarHBondContact OE2-NH1 2.93Å; E194-R215 VanDerWaalsContact OE2-NH1 3.16Å; E194-R215 IonicContact OE2-NH2 3.78Å; T195-R215 PolarHBondContact O-NH1 3.17Å; T195-R215 PolarHBondContact O-NH2 3.13Å; P212-R215 HydrophobicContact CB-CG 4.34Å; P212-R215 PolarHBondContact O-N 2.66Å; K213-R215 PolarHBondContact O-N 3.44Å; K213-R215 VanDerWaalsContact O-N 3.12Å; R215-R259 CarbonylContact O-C 3.13Å; R215-R259 WeakPolarHBondContact O-CA 3.36Å; R215-K260 HydrophobicContact CB-CB 4.28Å; R215-K260 PolarHBondContact NE-O 3.43Å; R215-K260 PolarHBondContact NH2-O 3.39Å; R215-K260 PolarHBondContact O-N 3.35Å
216W91.3Very high83Confident0 Ų038.6 Ų38.60%020%0.195CC..EExtended strand (participates in β ladder)trans-120.8137-177.3-77.777.2000111.6M26 W72 A183 H187 I192 E194 L211 K213 F233 M257 W258 R259M26-W216 HydrophobicContact SD-CH2 3.79Å; M26-W216 HydrophobicContact SD-CZ3 4.46Å; W72-W216 HydrophobicContact CH2-CH2 4.27Å; W72-W216 AromaticContact CH2-CZ3 3.92Å; W72-W216 HydrophobicContact CH2-CZ3 3.92Å; W72-W216 HydrophobicContact CZ2-CH2 4.18Å; W72-W216 HydrophobicContact CZ2-CZ3 4.21Å; A183-W216 HydrophobicContact CB-CE3 4.41Å; A183-W216 HydrophobicContact CB-CH2 4.43Å; A183-W216 HydrophobicContact CB-CZ3 4.12Å; H187-W216 AromaticContact CD2-CZ2 3.92Å; H187-W216 AromaticContact NE2-CE2 3.45Å; H187-W216 AromaticContact NE2-CZ2 3.17Å; H187-W216 WeakPolarHBondContact NE2-CZ2 3.29Å; H187-W216 AromaticContact NE2-NE1 3.36Å; H187-W216 PolarHBondContact NE2-NE1 3.41Å; I192-W216 HydrophobicContact CD1-CH2 3.95Å; I192-W216 HydrophobicContact CD1-CZ2 4.2Å; I192-W216 HydrophobicContact CG2-CZ2 4.13Å; E194-W216 PolarHBondContact OE1-NE1 3.26Å; L211-W216 HydrophobicContact CD1-CD2 4.2Å; L211-W216 HydrophobicContact CD1-CG 4.15Å; K213-W216 PolarHBondContact O-N 2.83Å; K213-W216 VanDerWaalsContact O-N 3.1Å; W216-F233 HydrophobicContact CB-CD1 3.64Å; W216-F233 HydrophobicContact CB-CD2 3.76Å; W216-F233 HydrophobicContact CB-CE1 3.65Å; W216-F233 HydrophobicContact CB-CE2 3.75Å; W216-F233 HydrophobicContact CB-CG 3.72Å; W216-F233 HydrophobicContact CB-CZ 3.71Å; W216-F233 HydrophobicContact CD2-CE2 4.29Å; W216-F233 HydrophobicContact CD2-CZ 4.06Å; W216-F233 HydrophobicContact CE3-CE1 4.11Å; W216-F233 HydrophobicContact CE3-CE2 4.13Å; W216-F233 AromaticContact CE3-CZ 3.51Å; W216-F233 HydrophobicContact CE3-CZ 3.51Å; W216-F233 HydrophobicContact CG-CE2 4.17Å; W216-F233 HydrophobicContact CG-CZ 4.19Å; W216-F233 HydrophobicContact CZ3-CZ 4.44Å; W216-F233 PolarHBondContact O-N 3.27Å; W216-M257 HydrophobicContact CE3-CB 4.33Å; W216-M257 HydrophobicContact CZ3-CB 3.89Å; W216-M257 HydrophobicContact CZ3-CG 4.5Å; W216-W258 WeakPolarHBondContact CA-O 3.29Å; W216-R259 HydrophobicContact CZ2-CB 4.24Å; W216-R259 HydrophobicContact CZ2-CG 4.08Å
217R91.2Very high83Confident74 Ų7439.3 Ų39.328%0.27921%0.209SC..EExtended strand (participates in β ladder)trans-136.4152.3174.5-72.4174.3-178.1-175.20.2109W23 H231 W258W23-R217 VanDerWaalsContact CE2-CZ 3.41Å; W23-R217 HydrophobicContact CE3-CB 4.37Å; W23-R217 HydrophobicContact CE3-CG 4.17Å; W23-R217 HydrophobicContact CH2-CG 3.63Å; W23-R217 VanDerWaalsContact CH2-NE 3.32Å; W23-R217 HydrophobicContact CZ2-CG 4.28Å; W23-R217 HydrophobicContact CZ3-CB 3.98Å; W23-R217 HydrophobicContact CZ3-CG 3.55Å; R217-H231 CarbonylContact C-O 2.93Å; R217-H231 WeakPolarHBondContact CA-O 3.3Å; R217-H231 WeakPolarHBondContact CB-O 3.47Å; R217-W258 HydrophobicContact CB-CB 4.06Å; R217-W258 PolarHBondContact N-O 2.99Å; R217-W258 PolarHBondContact O-N 2.04Å
218Y90.9Very high82.7Confident0 Ų039.3 Ų39.30%022%0.222CC..EExtended strand (participates in β ladder)trans-123.7154174.165.5-98000110L176 H231 P232 F233 R235 W240 Y255 L256L176-Y218 HydrophobicContact CD1-CD1 3.64Å; L176-Y218 HydrophobicContact CD1-CD2 3.71Å; L176-Y218 HydrophobicContact CD1-CE1 3.88Å; L176-Y218 HydrophobicContact CD1-CE2 3.97Å; L176-Y218 HydrophobicContact CD1-CG 3.56Å; L176-Y218 HydrophobicContact CD2-CD1 4.16Å; L176-Y218 HydrophobicContact CD2-CD2 4.21Å; L176-Y218 HydrophobicContact CD2-CE1 3.49Å; L176-Y218 VanDerWaalsContact CD2-CE1 3.49Å; L176-Y218 HydrophobicContact CD2-CE2 3.57Å; L176-Y218 HydrophobicContact CD2-CG 4.48Å; L176-Y218 VanDerWaalsContact CD2-OH 3.29Å; L176-Y218 WeakPolarHBondContact CD2-OH 3.26Å; L176-Y218 HydrophobicContact CG-CD1 4.42Å; L176-Y218 HydrophobicContact CG-CE1 4.19Å; L176-Y218 HydrophobicContact CG-CE2 4.44Å; Y218-H231 HydrophobicContact CD1-CB 4.48Å; Y218-H231 HydrophobicContact CD2-CB 4.14Å; Y218-H231 HydrophobicContact CE1-CB 3.93Å; Y218-H231 HydrophobicContact CE2-CB 3.51Å; Y218-H231 AromaticContact CE2-CD2 3.92Å; Y218-H231 PolarHBondContact N-O 3.22Å; Y218-H231 PolarHBondContact O-N 2.91Å; Y218-P232 VanDerWaalsContact CE1-O 3.31Å; Y218-P232 WeakPolarHBondContact CE1-O 3.29Å; Y218-F233 AromaticContact CD1-CD1 3.86Å; Y218-F233 HydrophobicContact CD1-CD1 3.86Å; Y218-F233 HydrophobicContact CD1-CE1 4.19Å; Y218-R235 PolarHBondContact OH-O 2.82Å; Y218-W240 AromaticContact CE2-CZ2 3.66Å; Y218-W240 HydrophobicContact CE2-CZ2 3.66Å; Y218-Y255 HydrophobicContact CD2-CD1 4.42Å; Y218-L256 CarbonylContact C-O 3.56Å; Y218-L256 WeakPolarHBondContact CA-O 3.42Å
219Q89.3Confident82.5Confident15 Ų1543.3 Ų43.37%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-138.3133175.9171.61685800108.9V221 D226 S227 Y255 L256Q219-V221 PolarHBondContact O-N 2.97Å; Q219-D226 WeakPolarHBondContact CG-O 3.43Å; Q219-D226 PolarHBondContact NE2-O 2.77Å; Q219-D226 VanDerWaalsContact NE2-O 3.07Å; Q219-S227 PolarHBondContact NE2-O 3.32Å; Q219-Y255 CarbonylContact O-C 3.5Å; Q219-Y255 WeakPolarHBondContact O-CA 3.46Å; Q219-L256 HydrophobicContact CB-CB 4.42Å; Q219-L256 PolarHBondContact N-O 3.29Å; Q219-L256 PolarHBondContact O-N 2.84Å
220M87.4Confident82.6Confident2 Ų242.1 Ų42.11%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-75.2128.6176.1-179.6172.3-7900110.6L172 N222 P225 D226 W240 K244 F253 Y255L172-M220 HydrophobicContact CD1-CE 4.25Å; L172-M220 HydrophobicContact CD2-CE 3.18Å; L172-M220 HydrophobicContact CG-CE 4.32Å; M220-N222 WeakPolarHBondContact CG-O 3.33Å; M220-P225 CarbonylContact O-C 3.48Å; M220-P225 WeakPolarHBondContact O-CA 3.39Å; M220-D226 HydrophobicContact CB-CB 4.27Å; M220-D226 PolarHBondContact O-N 3.02Å; M220-W240 HydrophobicContact CE-CH2 3.55Å; M220-W240 HydrophobicContact CE-CZ3 3.31Å; M220-W240 HydrophobicContact SD-CZ3 3.94Å; M220-K244 HydrophobicContact SD-CB 4.25Å; M220-K244 HydrophobicContact SD-CD 3.63Å; M220-F253 HydrophobicContact CE-CD1 4.43Å; M220-Y255 HydrophobicContact CB-CD1 4.33Å; M220-Y255 HydrophobicContact CB-CE1 4.44Å; M220-Y255 HydrophobicContact CE-CE1 3.73Å
221V86.2Confident82.8Confident34 Ų3438.3 Ų38.321%0.20621%0.212CC..EExtended strand (participates in β ladder)trans-112.3-8.2174.7-63.70000112.9L28 N40 Q219 G254 L256 R296L28-V221 HydrophobicContact CD1-CG1 4.47Å; L28-V221 HydrophobicContact CD1-CG2 3.79Å; N40-V221 VanDerWaalsContact OD1-CG2 3.23Å; N40-V221 WeakPolarHBondContact OD1-CG2 3.39Å; Q219-V221 PolarHBondContact O-N 2.97Å; V221-G254 VanDerWaalsContact CG2-O 3.23Å; V221-G254 WeakPolarHBondContact CG2-O 3.41Å; V221-G254 PolarHBondContact N-O 2.89Å; V221-L256 HydrophobicContact CG1-CB 3.73Å; V221-R296 PolarHBondContact O-NH1 3.47Å; V221-R296 PolarHBondContact O-NH2 3Å; V221-R296 VanDerWaalsContact O-NH2 3.1Å
222N77.2Confident82.9Confident6 Ų638.6 Ų38.63%0.03221%0.214CC..EExtended strand (participates in β ladder)trans-157142.9-175.2-153.61000109.8V39 M220 G254 R296V39-N222 WeakPolarHBondContact CB-ND2 3.26Å; V39-N222 WeakPolarHBondContact CG1-ND2 2.98Å; V39-N222 PolarHBondContact O-ND2 2.87Å; M220-N222 WeakPolarHBondContact CG-O 3.33Å; N222-G254 PolarHBondContact N-O 3.42Å; N222-G254 PolarHBondContact O-N 3.13Å; N222-R296 VanDerWaalsContact CB-NH2 3.29Å; N222-R296 PolarHBondContact ND2-NE 2.96Å; N222-R296 PolarHBondContact ND2-NH2 3.1Å; N222-R296 PolarHBondContact OD1-NE 2.86Å; N222-R296 PolarHBondContact OD1-NH1 3.44Å
223M69.4Low83Confident60 Ų6038 Ų3830%0.29621%0.21SC..SBendcis-80.4-32.50.6-156.8-179.274.800114.4P246 T249M223-P246 HydrophobicContact CE-CG 3.59Å; M223-T249 HydrophobicContact CE-CG2 3.29Å; M223-T249 HydrophobicContact SD-CG2 3.38Å; M223-T249 WeakPolarHBondContact SD-CG2 3.41Å
224Y78Confident82.9Confident118 Ų11837.9 Ų37.946%0.46321%0.21SC..SBendtrans-118105.8171-63.7-75.6000107.7P246Y224-P246 HydrophobicContact CE2-CG 3.77Å
225P75.3Confident83Confident40 Ų4035.4 Ų35.426%0.2620%0.196SC..  trans-63145.1-172.526-34.3000111.2M220M220-P225 CarbonylContact O-C 3.48Å; M220-P225 WeakPolarHBondContact O-CA 3.39Å
226D74.7Confident83Confident22 Ų2235.7 Ų35.712%0.11820%0.2CC..  trans-110.262170.4-163.1-4.5000109.1Q219 M220 G228 Q229 H231 K244Q219-D226 WeakPolarHBondContact CG-O 3.43Å; Q219-D226 PolarHBondContact NE2-O 2.77Å; Q219-D226 VanDerWaalsContact NE2-O 3.07Å; M220-D226 HydrophobicContact CB-CB 4.27Å; M220-D226 PolarHBondContact O-N 3.02Å; D226-G228 PolarHBondContact O-N 3.08Å; D226-G228 VanDerWaalsContact O-N 3.14Å; D226-Q229 PolarHBondContact O-N 2.99Å; D226-Q229 WeakPolarHBondContact OD1-CG 3.25Å; D226-H231 IonicContact OD2-NE2 3.53Å; D226-K244 VanDerWaalsContact CB-NZ 3.33Å; D226-K244 IonicContact OD2-NZ 2.69Å; D226-K244 PolarHBondContact OD2-NZ 2.78Å
227S68.1Low82.8Confident72 Ų7235.8 Ų35.850%0.50320%0.201SC..THydrogen-bonded Turntrans-65.9-16.5-173.9540000113.2Q219Q219-S227 PolarHBondContact NE2-O 3.32Å
228G71.1Confident82.5Confident73 Ų7336.5 Ų36.575%0.75321%0.214SC*.THydrogen-bonded Turntrans-87.2-13.2177.700000115.2D226D226-G228 PolarHBondContact O-N 3.08Å; D226-G228 VanDerWaalsContact O-N 3.14Å
229Q76.8Confident82.1Confident100 Ų10044.2 Ų44.247%0.46724%0.243SC..  trans-127.4122.6-175.9-55.9-171.212.300111.6D226 H231D226-Q229 PolarHBondContact O-N 2.99Å; D226-Q229 WeakPolarHBondContact OD1-CG 3.25Å; Q229-H231 PolarHBondContact OE1-CE1 3.06Å
230C84Confident82Confident52 Ų5244.2 Ų44.235%0.35124%0.242SC..PPolyproline II helixtrans-102.7119168.3-680000108.4
231H89.2Confident81.8Confident6 Ų646.1 Ų46.13%0.02825%0.251CS..EExtended strand (participates in β ladder)trans-98.3136.3-176.9-61.7-71.5000109.8R217 Y218 D226 Q229 R235 W240R217-H231 CarbonylContact C-O 2.93Å; R217-H231 WeakPolarHBondContact CA-O 3.3Å; R217-H231 WeakPolarHBondContact CB-O 3.47Å; Y218-H231 HydrophobicContact CD1-CB 4.48Å; Y218-H231 HydrophobicContact CD2-CB 4.14Å; Y218-H231 HydrophobicContact CE1-CB 3.93Å; Y218-H231 HydrophobicContact CE2-CB 3.51Å; Y218-H231 AromaticContact CE2-CD2 3.92Å; Y218-H231 PolarHBondContact N-O 3.22Å; Y218-H231 PolarHBondContact O-N 2.91Å; D226-H231 IonicContact OD2-NE2 3.53Å; Q229-H231 PolarHBondContact OE1-CE1 3.06Å; H231-R235 HydrophobicContact CB-CB 4.45Å; H231-W240 AromaticContact CD2-CD1 3.84Å; H231-W240 AromaticContact CD2-NE1 3.62Å; H231-W240 AromaticContact CE1-CD1 3.28Å; H231-W240 AromaticContact CE1-CG 3.82Å; H231-W240 AromaticContact CE1-NE1 3.83Å; H231-W240 AromaticContact CG-NE1 3.78Å; H231-W240 AromaticContact ND1-CD1 3.7Å; H231-W240 AromaticContact ND1-NE1 3.92Å; H231-W240 AromaticContact NE2-CD1 3.37Å; H231-W240 AromaticContact NE2-CG 3.61Å; H231-W240 AromaticContact NE2-NE1 3.66Å
232P90Very high81.7Confident5 Ų550.4 Ų50.43%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-65.2152.3169.230.4-33.1000110.1M143 Y218 R235M143-P232 HydrophobicContact SD-CB 4.4Å; Y218-P232 VanDerWaalsContact CE1-O 3.31Å; Y218-P232 WeakPolarHBondContact CE1-O 3.29Å; P232-R235 HydrophobicContact CG-CB 4.15Å; P232-R235 WeakPolarHBondContact O-CB 3.35Å; P232-R235 PolarHBondContact O-N 3.12Å
233F90.1Very high81.8Confident0 Ų053.2 Ų53.20%031%0.307CS..THydrogen-bonded Turntrans-52.3142.4174.3-88.131.3000111.2S139 P144 E180 A183 L211 K213 W216 Y218 R235 M257S139-F233 WeakPolarHBondContact CB-O 3.41Å; P144-F233 HydrophobicContact CG-CB 4.42Å; E180-F233 HydrophobicContact CB-CD2 4.27Å; E180-F233 HydrophobicContact CB-CE2 4.08Å; E180-F233 HydrophobicContact CG-CD1 4.49Å; E180-F233 HydrophobicContact CG-CD2 3.84Å; E180-F233 HydrophobicContact CG-CE1 4.44Å; E180-F233 HydrophobicContact CG-CE2 3.81Å; E180-F233 HydrophobicContact CG-CG 4.18Å; E180-F233 HydrophobicContact CG-CZ 4.1Å; E180-F233 WeakPolarHBondContact OE1-CA 3.49Å; A183-F233 HydrophobicContact CB-CE2 4.21Å; A183-F233 HydrophobicContact CB-CZ 4.39Å; L211-F233 HydrophobicContact CD2-CD2 4.07Å; L211-F233 HydrophobicContact CD2-CE2 4Å; K213-F233 HydrophobicContact CB-CB 4.42Å; W216-F233 HydrophobicContact CB-CD1 3.64Å; W216-F233 HydrophobicContact CB-CD2 3.76Å; W216-F233 HydrophobicContact CB-CE1 3.65Å; W216-F233 HydrophobicContact CB-CE2 3.75Å; W216-F233 HydrophobicContact CB-CG 3.72Å; W216-F233 HydrophobicContact CB-CZ 3.71Å; W216-F233 HydrophobicContact CD2-CE2 4.29Å; W216-F233 HydrophobicContact CD2-CZ 4.06Å; W216-F233 HydrophobicContact CE3-CE1 4.11Å; W216-F233 HydrophobicContact CE3-CE2 4.13Å; W216-F233 AromaticContact CE3-CZ 3.51Å; W216-F233 HydrophobicContact CE3-CZ 3.51Å; W216-F233 HydrophobicContact CG-CE2 4.17Å; W216-F233 HydrophobicContact CG-CZ 4.19Å; W216-F233 HydrophobicContact CZ3-CZ 4.44Å; W216-F233 PolarHBondContact O-N 3.27Å; Y218-F233 AromaticContact CD1-CD1 3.86Å; Y218-F233 HydrophobicContact CD1-CD1 3.86Å; Y218-F233 HydrophobicContact CD1-CE1 4.19Å; F233-R235 VanDerWaalsContact C-N 3.25Å; F233-R235 PolarHBondContact O-N 3.14Å; F233-M257 HydrophobicContact CE1-SD 3.8Å; F233-M257 HydrophobicContact CZ-SD 3.86Å
234G86.4Confident82.4Confident0 Ų051.5 Ų51.50%030%0.299CS..THydrogen-bonded Turntrans77.4-9.1-178.800000116.7S139 A152 S154 E180 S236S139-G234 VanDerWaalsContact OG-C 3.28Å; S139-G234 PolarHBondContact OG-O 3.27Å; S139-G234 VanDerWaalsContact OG-O 3.05Å; A152-G234 VanDerWaalsContact O-CA 3.29Å; A152-G234 WeakPolarHBondContact O-CA 3.26Å; S154-G234 WeakPolarHBondContact CB-O 3.26Å; S154-G234 PolarHBondContact N-O 2.9Å; E180-G234 PolarHBondContact OE1-N 3.08Å; G234-S236 PolarHBondContact O-N 3.34Å
235R88.8Confident82.5Confident48 Ų4848.1 Ų48.118%0.18129%0.289CS..  trans-62.6133.6175.9-179.6168.3-71.4178.50110.8S139 Q155 Y218 H231 P232 F233 V237S139-R235 PolarHBondContact O-NE 3.42Å; Q155-R235 PolarHBondContact NE2-O 2.94Å; Y218-R235 PolarHBondContact OH-O 2.82Å; H231-R235 HydrophobicContact CB-CB 4.45Å; P232-R235 HydrophobicContact CG-CB 4.15Å; P232-R235 WeakPolarHBondContact O-CB 3.35Å; P232-R235 PolarHBondContact O-N 3.12Å; F233-R235 VanDerWaalsContact C-N 3.25Å; F233-R235 PolarHBondContact O-N 3.14Å; R235-V237 PolarHBondContact O-N 3.44Å
236S87.9Confident82.4Confident22 Ų2247.9 Ų47.915%0.15429%0.287CS..  trans-58.4134-179.1-1730000113.2G234 T238G234-S236 PolarHBondContact O-N 3.34Å; S236-T238 PolarHBondContact O-N 3.23Å; S236-T238 PolarHBondContact OG-N 2.94Å; S236-T238 PolarHBondContact OG-OG1 2.86Å
237V87.5Confident82.1Confident3 Ų353 Ų532%0.01832%0.322CS..G310 helixtrans-67.3-24.1172.2-56.90000112.1L172 Q173 L176 R235 R239 W240 E241L172-V237 HydrophobicContact CB-CB 4.41Å; L172-V237 HydrophobicContact CB-CG1 4.43Å; L172-V237 HydrophobicContact CB-CG2 4.38Å; Q173-V237 HydrophobicContact CB-CG2 3.77Å; L176-V237 HydrophobicContact CD2-CG1 3.8Å; R235-V237 PolarHBondContact O-N 3.44Å; V237-R239 PolarHBondContact O-N 3.45Å; V237-W240 HydrophobicContact CB-CH2 4.29Å; V237-W240 HydrophobicContact CB-CZ2 3.92Å; V237-W240 HydrophobicContact CG1-CH2 3.96Å; V237-W240 HydrophobicContact CG1-CZ2 3.51Å; V237-W240 PolarHBondContact O-N 2.81Å; V237-E241 HydrophobicContact CB-CB 4.28Å; V237-E241 HydrophobicContact CG2-CB 4.46Å; V237-E241 WeakPolarHBondContact O-CB 3.45Å; V237-E241 WeakPolarHBondContact O-CG 3.46Å; V237-E241 PolarHBondContact O-N 2.76Å
238T85Confident82.1Confident89 Ų8957.4 Ų57.455%0.54634%0.339SS..G310 helixtrans-57.1-19.6-178.860.70000114S236 E241S236-T238 PolarHBondContact O-N 3.23Å; S236-T238 PolarHBondContact OG-N 2.94Å; S236-T238 PolarHBondContact OG-OG1 2.86Å; T238-E241 VanDerWaalsContact CA-OE1 3.28Å; T238-E241 WeakPolarHBondContact CA-OE1 3.33Å; T238-E241 WeakPolarHBondContact CG2-OE1 3.17Å
239R82.4Confident82Confident162 Ų16255.4 Ų55.461%0.61131%0.312SS*.G310 helixtrans-76.9-25.1177.2-65.6-173.369.1176.41.3113.8A140 V237A140-R239 PolarHBondContact O-NH1 3.05Å; V237-R239 PolarHBondContact O-N 3.45Å
240W85.7Confident81.7Confident14 Ų1459.1 Ų59.15%0.05333%0.327CS..THydrogen-bonded Turntrans-138.1-5.4-168.659.6-103.8000114L172 L176 Y218 M220 H231 V237 T242 K244 Y255L172-W240 HydrophobicContact CD1-CZ3 4.22Å; L176-W240 HydrophobicContact CD2-CZ2 4.44Å; Y218-W240 AromaticContact CE2-CZ2 3.66Å; Y218-W240 HydrophobicContact CE2-CZ2 3.66Å; M220-W240 HydrophobicContact CE-CH2 3.55Å; M220-W240 HydrophobicContact CE-CZ3 3.31Å; M220-W240 HydrophobicContact SD-CZ3 3.94Å; H231-W240 AromaticContact CD2-CD1 3.84Å; H231-W240 AromaticContact CD2-NE1 3.62Å; H231-W240 AromaticContact CE1-CD1 3.28Å; H231-W240 AromaticContact CE1-CG 3.82Å; H231-W240 AromaticContact CE1-NE1 3.83Å; H231-W240 AromaticContact CG-NE1 3.78Å; H231-W240 AromaticContact ND1-CD1 3.7Å; H231-W240 AromaticContact ND1-NE1 3.92Å; H231-W240 AromaticContact NE2-CD1 3.37Å; H231-W240 AromaticContact NE2-CG 3.61Å; H231-W240 AromaticContact NE2-NE1 3.66Å; V237-W240 HydrophobicContact CB-CH2 4.29Å; V237-W240 HydrophobicContact CB-CZ2 3.92Å; V237-W240 HydrophobicContact CG1-CH2 3.96Å; V237-W240 HydrophobicContact CG1-CZ2 3.51Å; V237-W240 PolarHBondContact O-N 2.81Å; W240-T242 VanDerWaalsContact C-N 3.29Å; W240-T242 PolarHBondContact O-N 2.82Å; W240-K244 HydrophobicContact CE3-CD 3.92Å; W240-K244 HydrophobicContact CZ3-CD 4.15Å; W240-K244 WeakPolarHBondContact O-CD 3.49Å; W240-K244 WeakPolarHBondContact O-CE 3.05Å; W240-K244 PolarHBondContact O-NZ 2.86Å; W240-Y255 HydrophobicContact CH2-CE1 4.27Å
241E84.2Confident81.5Confident42 Ų4259.3 Ų59.320%0.19632%0.322CS..  trans-72.1-19.9-177.469.4178.9151.600114.1S170 L172 V237 T238 G243 K244S170-E241 WeakPolarHBondContact CB-OE2 3.41Å; S170-E241 PolarHBondContact OG-OE2 2.81Å; L172-E241 HydrophobicContact CD1-CB 3.67Å; V237-E241 HydrophobicContact CB-CB 4.28Å; V237-E241 HydrophobicContact CG2-CB 4.46Å; V237-E241 WeakPolarHBondContact O-CB 3.45Å; V237-E241 WeakPolarHBondContact O-CG 3.46Å; V237-E241 PolarHBondContact O-N 2.76Å; T238-E241 VanDerWaalsContact CA-OE1 3.28Å; T238-E241 WeakPolarHBondContact CA-OE1 3.33Å; T238-E241 WeakPolarHBondContact CG2-OE1 3.17Å; E241-G243 PolarHBondContact O-N 3.33Å; E241-K244 PolarHBondContact O-N 2.94Å
242T82.9Confident81.3Confident125 Ų12560 Ų6077%0.76733%0.325SS*.THydrogen-bonded Turntrans-53.3122.9-179.5-56.40000110.7W240 K244W240-T242 VanDerWaalsContact C-N 3.29Å; W240-T242 PolarHBondContact O-N 2.82Å; T242-K244 PolarHBondContact O-N 3.18Å
243G80.4Confident81.3Confident64 Ų6459.8 Ų59.866%0.6632%0.324SS*.THydrogen-bonded Turntrans79.5-9.1-178.900000115.4E241E241-G243 PolarHBondContact O-N 3.33Å
244K82.2Confident81.2Confident25 Ų2559.8 Ų59.811%0.10932%0.324CS..THydrogen-bonded Turntrans-91.8-5.4-178.8-59.3-168.6-175.3138.20114.4L172 M220 D226 W240 E241 T242L172-K244 HydrophobicContact CD1-CB 4.1Å; M220-K244 HydrophobicContact SD-CB 4.25Å; M220-K244 HydrophobicContact SD-CD 3.63Å; D226-K244 VanDerWaalsContact CB-NZ 3.33Å; D226-K244 IonicContact OD2-NZ 2.69Å; D226-K244 PolarHBondContact OD2-NZ 2.78Å; W240-K244 HydrophobicContact CE3-CD 3.92Å; W240-K244 HydrophobicContact CZ3-CD 4.15Å; W240-K244 WeakPolarHBondContact O-CD 3.49Å; W240-K244 WeakPolarHBondContact O-CE 3.05Å; W240-K244 PolarHBondContact O-NZ 2.86Å; E241-K244 PolarHBondContact O-N 2.94Å; T242-K244 PolarHBondContact O-N 3.18Å
245N78.8Confident81.4Confident47 Ų4759.8 Ų59.825%0.25132%0.324SS..SBendtrans-13073.6179.6-178.425.4000111.8P171 L172P171-N245 WeakPolarHBondContact CD-ND2 3.35Å; L172-N245 HydrophobicContact CD1-CB 4Å; L172-N245 HydrophobicContact CG-CB 4.41Å
246P74.5Confident81.5Confident34 Ų3458.2 Ų58.222%0.22132%0.319CS..  trans-71.6150.1175.114.2-10.2000112M223 Y224 N248 T249M223-P246 HydrophobicContact CE-CG 3.59Å; Y224-P246 HydrophobicContact CE2-CG 3.77Å; P246-N248 PolarHBondContact O-N 2.73Å; P246-T249 HydrophobicContact CB-CG2 4.16Å; P246-T249 HydrophobicContact CG-CG2 3.53Å; P246-T249 WeakPolarHBondContact O-CG2 3.45Å; P246-T249 PolarHBondContact O-N 2.81Å; P246-T249 PolarHBondContact O-OG1 3.09Å
247P68Low81.6Confident131 Ų13157.2 Ų57.285%0.85131%0.312SS*.THydrogen-bonded Turntrans-64.7-24.1-174.624.8-34000113.8T249P247-T249 VanDerWaalsContact C-N 3.28Å; P247-T249 PolarHBondContact O-N 2.85Å
248N67.4Low81.6Confident164 Ų16459.6 Ų59.688%0.87732%0.321SS*.THydrogen-bonded Turntrans-89.527.9-175.9-16324000113.9P246P246-N248 PolarHBondContact O-N 2.73Å
249T70.2Confident81.7Confident30 Ų3055.7 Ų55.718%0.18430%0.296CS..SBendtrans-117.2154.4-174.8670000111.7M223 P246 P247 K251M223-T249 HydrophobicContact CE-CG2 3.29Å; M223-T249 HydrophobicContact SD-CG2 3.38Å; M223-T249 WeakPolarHBondContact SD-CG2 3.41Å; P246-T249 HydrophobicContact CB-CG2 4.16Å; P246-T249 HydrophobicContact CG-CG2 3.53Å; P246-T249 WeakPolarHBondContact O-CG2 3.45Å; P246-T249 PolarHBondContact O-N 2.81Å; P246-T249 PolarHBondContact O-OG1 3.09Å; P247-T249 VanDerWaalsContact C-N 3.28Å; P247-T249 PolarHBondContact O-N 2.85Å; T249-K251 PolarHBondContact O-N 2.93Å; T249-K251 VanDerWaalsContact O-N 3.11Å
250K69.9Low81.8Confident179 Ų17951.5 Ų51.578%0.77828%0.282SS*.  trans-71.12.1174.9-65.4-173.2-179.8-179.50113.6N252K250-N252 PolarHBondContact O-N 2.81Å; K250-N252 PolarHBondContact O-OD1 2.84Å
251K79.6Confident81.2Confident56 Ų5651.3 Ų51.324%0.24328%0.283CS..  trans5442.1-179-60.8171.4177.1-179.60112.8R33 P171 T249 F253R33-K251 VanDerWaalsContact NH1-CD 3.33Å; P171-K251 HydrophobicContact CB-CB 4.2Å; P171-K251 HydrophobicContact CB-CD 4.05Å; P171-K251 HydrophobicContact CB-CG 4.2Å; P171-K251 HydrophobicContact CG-CD 3.73Å; P171-K251 HydrophobicContact CG-CG 4.24Å; T249-K251 PolarHBondContact O-N 2.93Å; T249-K251 VanDerWaalsContact O-N 3.11Å; K251-F253 HydrophobicContact CB-CE2 4.06Å; K251-F253 HydrophobicContact CB-CZ 4.27Å; K251-F253 WeakPolarHBondContact O-CD2 3.47Å; K251-F253 WeakPolarHBondContact O-CE2 3.29Å
252N85.6Confident80.5Confident19 Ų1950.5 Ų50.510%0.10228%0.28CS..  trans-101.6129.1175.2-75.2-12000107.8V31 T32 V39 K250V31-N252 WeakPolarHBondContact O-CA 3.34Å; T32-N252 WeakPolarHBondContact CA-OD1 3.16Å; T32-N252 WeakPolarHBondContact CB-OD1 3.18Å; T32-N252 HydrophobicContact CG2-CB 4.11Å; V39-N252 HydrophobicContact CB-CB 4.46Å; V39-N252 HydrophobicContact CG1-CB 3.84Å; V39-N252 HydrophobicContact CG2-CB 3.68Å; K250-N252 PolarHBondContact O-N 2.81Å; K250-N252 PolarHBondContact O-OD1 2.84Å
253F89.2Confident79.6Confident2 Ų245 Ų451%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-130156.1-173-55.1-72.3000110.6V31 P171 L172 S175 M220 K251 Y255V31-F253 PolarHBondContact N-O 3.35Å; V31-F253 PolarHBondContact O-N 2.76Å; P171-F253 HydrophobicContact CB-CE2 3.71Å; P171-F253 HydrophobicContact CB-CZ 4.01Å; L172-F253 HydrophobicContact CD2-CB 4.39Å; L172-F253 HydrophobicContact CD2-CD1 3.24Å; L172-F253 HydrophobicContact CD2-CD2 3.93Å; L172-F253 HydrophobicContact CD2-CE1 3.26Å; L172-F253 HydrophobicContact CD2-CE2 3.94Å; L172-F253 HydrophobicContact CD2-CG 3.58Å; L172-F253 HydrophobicContact CD2-CZ 3.62Å; L172-F253 HydrophobicContact CG-CD1 4.32Å; L172-F253 HydrophobicContact CG-CE1 3.87Å; L172-F253 HydrophobicContact CG-CE2 4.36Å; L172-F253 HydrophobicContact CG-CZ 3.88Å; S175-F253 WeakPolarHBondContact OG-CD2 3.26Å; M220-F253 HydrophobicContact CE-CD1 4.43Å; K251-F253 HydrophobicContact CB-CE2 4.06Å; K251-F253 HydrophobicContact CB-CZ 4.27Å; K251-F253 WeakPolarHBondContact O-CD2 3.47Å; K251-F253 WeakPolarHBondContact O-CE2 3.29Å; F253-Y255 HydrophobicContact CB-CE2 3.83Å
254G89.4Confident78.8Confident0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-137.4134.9-177.600000109.4T29 N40 V221 N222T29-G254 CarbonylContact O-C 3.54Å; T29-G254 VanDerWaalsContact O-CA 3.26Å; T29-G254 WeakPolarHBondContact O-CA 3.17Å; N40-G254 WeakPolarHBondContact ND2-CA 3.11Å; V221-G254 VanDerWaalsContact CG2-O 3.23Å; V221-G254 WeakPolarHBondContact CG2-O 3.41Å; V221-G254 PolarHBondContact N-O 2.89Å; N222-G254 PolarHBondContact N-O 3.42Å; N222-G254 PolarHBondContact O-N 3.13Å
255Y90.6Very high77.8Confident0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-131.5138.8-178-52-88.6000111.1T29 V31 L172 S175 L176 Y218 Q219 M220 W240 F253T29-Y255 HydrophobicContact CG2-CD2 4.09Å; T29-Y255 HydrophobicContact CG2-CG 4.36Å; T29-Y255 WeakPolarHBondContact CG2-O 2.84Å; T29-Y255 PolarHBondContact N-O 3.26Å; T29-Y255 PolarHBondContact O-N 3.13Å; V31-Y255 HydrophobicContact CG2-CD2 4.36Å; V31-Y255 HydrophobicContact CG2-CE2 4.23Å; L172-Y255 WeakPolarHBondContact CD2-OH 3.25Å; L172-Y255 PolarHBondContact O-OH 3.45Å; S175-Y255 PolarHBondContact OG-OH 3.26Å; L176-Y255 HydrophobicContact CD1-CD1 4.37Å; L176-Y255 HydrophobicContact CD1-CE1 4.3Å; Y218-Y255 HydrophobicContact CD2-CD1 4.42Å; Q219-Y255 CarbonylContact O-C 3.5Å; Q219-Y255 WeakPolarHBondContact O-CA 3.46Å; M220-Y255 HydrophobicContact CB-CD1 4.33Å; M220-Y255 HydrophobicContact CB-CE1 4.44Å; M220-Y255 HydrophobicContact CE-CE1 3.73Å; W240-Y255 HydrophobicContact CH2-CE1 4.27Å; F253-Y255 HydrophobicContact CB-CE2 3.83Å
256L89.5Confident76.6Confident15 Ų1544.1 Ų44.18%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-92123.1167.3-175.967.3000108.6P25 L28 Y75 Y218 Q219 V221 W258P25-L256 HydrophobicContact CB-CD1 3.97Å; P25-L256 HydrophobicContact CB-CD2 4.09Å; P25-L256 HydrophobicContact CB-CG 4.17Å; L28-L256 HydrophobicContact CD1-CB 4.22Å; L28-L256 HydrophobicContact CD1-CD1 4.06Å; Y75-L256 HydrophobicContact CD1-CD1 3.61Å; Y75-L256 HydrophobicContact CE1-CD1 3.98Å; Y75-L256 HydrophobicContact CG-CD1 4.27Å; Y218-L256 CarbonylContact C-O 3.56Å; Y218-L256 WeakPolarHBondContact CA-O 3.42Å; Q219-L256 HydrophobicContact CB-CB 4.42Å; Q219-L256 PolarHBondContact N-O 3.29Å; Q219-L256 PolarHBondContact O-N 2.84Å; V221-L256 HydrophobicContact CG1-CB 3.73Å; L256-W258 HydrophobicContact CD2-CZ2 3.66Å
257M90.4Very high75.6Confident0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-96.3125179.2-63-60.1171.100110.1M26 A27 T29 W72 W216 F233M26-M257 PolarHBondContact N-O 2.88Å; A27-M257 HydrophobicContact CB-CB 4.34Å; A27-M257 PolarHBondContact N-O 2.8Å; A27-M257 WeakPolarHBondContact O-CB 3.2Å; A27-M257 PolarHBondContact O-N 2.85Å; T29-M257 HydrophobicContact CG2-CE 3.41Å; T29-M257 VanDerWaalsContact CG2-CE 3.41Å; T29-M257 HydrophobicContact CG2-CG 4.21Å; W72-M257 HydrophobicContact CH2-CB 4.26Å; W72-M257 HydrophobicContact CH2-CG 3.85Å; W72-M257 HydrophobicContact CZ3-CG 4.08Å; W216-M257 HydrophobicContact CE3-CB 4.33Å; W216-M257 HydrophobicContact CZ3-CB 3.89Å; W216-M257 HydrophobicContact CZ3-CG 4.5Å; F233-M257 HydrophobicContact CE1-SD 3.8Å; F233-M257 HydrophobicContact CZ-SD 3.86Å
258W88.8Confident74.5Confident53 Ų5346.2 Ų46.220%0.20124%0.24CC..EExtended strand (participates in β ladder)trans-107.8122.8178.8-64.480.4000108.9W23 E24 P25 W216 R217 L256W23-W258 HydrophobicContact CB-CE3 4.02Å; W23-W258 HydrophobicContact CE3-CB 4.11Å; E24-W258 CarbonylContact O-C 3.5Å; E24-W258 VanDerWaalsContact O-CA 3.26Å; E24-W258 WeakPolarHBondContact O-CA 3.45Å; P25-W258 HydrophobicContact CB-CD2 4.22Å; P25-W258 HydrophobicContact CB-CE3 4.12Å; P25-W258 HydrophobicContact CB-CH2 4.21Å; P25-W258 HydrophobicContact CB-CZ2 4.29Å; P25-W258 HydrophobicContact CB-CZ3 4.14Å; P25-W258 VanDerWaalsContact CD-CZ3 3.45Å; P25-W258 HydrophobicContact CG-CE3 4.41Å; P25-W258 HydrophobicContact CG-CH2 4.19Å; P25-W258 HydrophobicContact CG-CZ3 4.04Å; W216-W258 WeakPolarHBondContact CA-O 3.29Å; R217-W258 HydrophobicContact CB-CB 4.06Å; R217-W258 PolarHBondContact N-O 2.99Å; R217-W258 PolarHBondContact O-N 2.04Å; L256-W258 HydrophobicContact CD2-CZ2 3.66Å
259R87.1Confident73Confident8 Ų841.7 Ų41.73%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-103149.3170.8-173.8-177.863.2-171.5-7.9108.1E24 M26 E91 M193 E194 R215 W216 P261E24-R259 PolarHBondContact N-O 3.12Å; E24-R259 PolarHBondContact O-N 3.49Å; E24-R259 IonicContact OE2-NH2 3.27Å; M26-R259 HydrophobicContact CB-CB 4.07Å; E91-R259 IonicContact OE1-CZ 2.62Å; E91-R259 VanDerWaalsContact OE1-CZ 3.27Å; E91-R259 IonicContact OE1-NH1 3.85Å; E91-R259 PolarHBondContact OE1-NH1 2.9Å; E91-R259 IonicContact OE1-NH2 3.76Å; E91-R259 PolarHBondContact OE1-NH2 3.48Å; E91-R259 IonicContact OE2-NH2 3.94Å; E91-R259 PolarHBondContact OE2-NH2 3.19Å; M193-R259 PolarHBondContact O-NH1 3.45Å; E194-R259 VanDerWaalsContact OE1-CD 3.27Å; E194-R259 WeakPolarHBondContact OE1-CD 3.37Å; R215-R259 CarbonylContact O-C 3.13Å; R215-R259 WeakPolarHBondContact O-CA 3.36Å; W216-R259 HydrophobicContact CZ2-CB 4.24Å; W216-R259 HydrophobicContact CZ2-CG 4.08Å; R259-P261 VanDerWaalsContact C-CD 3.41Å; R259-P261 WeakPolarHBondContact O-CD 3.43Å
260K82.8Confident71.5Confident74 Ų7443.8 Ų43.832%0.32224%0.238SC..  trans-103.679.9173-168.8-173.3-178.1-179.10110.7Y22 W23 R215Y22-K260 VanDerWaalsContact O-CA 3.26Å; Y22-K260 WeakPolarHBondContact O-CA 3.04Å; Y22-K260 WeakPolarHBondContact O-CG 3.35Å; W23-K260 HydrophobicContact CD2-CB 3.95Å; W23-K260 HydrophobicContact CD2-CD 4.5Å; W23-K260 HydrophobicContact CD2-CG 4.2Å; W23-K260 HydrophobicContact CE3-CB 3.74Å; W23-K260 HydrophobicContact CE3-CG 4.49Å; W23-K260 HydrophobicContact CH2-CB 3.85Å; W23-K260 HydrophobicContact CH2-CD 4.32Å; W23-K260 HydrophobicContact CZ2-CB 4.05Å; W23-K260 HydrophobicContact CZ2-CD 3.78Å; W23-K260 HydrophobicContact CZ2-CG 4.28Å; W23-K260 HydrophobicContact CZ3-CB 3.7Å; R215-K260 HydrophobicContact CB-CB 4.28Å; R215-K260 PolarHBondContact NE-O 3.43Å; R215-K260 PolarHBondContact NH2-O 3.39Å; R215-K260 PolarHBondContact O-N 3.35Å
261P73.7Confident69.7Low9 Ų942.2 Ų42.26%0.05824%0.236CC..  trans-64.6163.9172.930.6-37.9000111.4G21 Y22 E24 R259G21-P261 VanDerWaalsContact CA-O 3.24Å; G21-P261 WeakPolarHBondContact CA-O 3.04Å; Y22-P261 HydrophobicContact CD1-CG 4.14Å; Y22-P261 HydrophobicContact CE1-CB 4.48Å; Y22-P261 HydrophobicContact CE1-CG 3.54Å; Y22-P261 HydrophobicContact CE2-CG 4.38Å; Y22-P261 PolarHBondContact N-O 3.22Å; Y22-P261 WeakPolarHBondContact O-CD 3.49Å; E24-P261 HydrophobicContact CB-CG 3.95Å; R259-P261 VanDerWaalsContact C-CD 3.41Å; R259-P261 WeakPolarHBondContact O-CD 3.43Å
262L70.6Confident67.6Low26 Ų2642.5 Ų42.514%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-117.4120.9172.7-111.3106.4000109A19 I20 T195 V202A19-L262 HydrophobicContact CB-CD2 3.47Å; A19-L262 VanDerWaalsContact CB-CD2 3.47Å; I20-L262 CarbonylContact O-C 3.49Å; I20-L262 VanDerWaalsContact O-CA 3.3Å; I20-L262 WeakPolarHBondContact O-CA 3.38Å; T195-L262 WeakPolarHBondContact CB-O 3.43Å; T195-L262 PolarHBondContact OG1-N 3.45Å; T195-L262 PolarHBondContact OG1-O 3.39Å; V202-L262 HydrophobicContact CG1-CB 4.47Å; V202-L262 HydrophobicContact CG2-CD2 4.08Å
263L64Low65Low9 Ų943.2 Ų43.25%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-98.2149.5174-64.8166.7000109.9A19 I20 Y22 I84 C89A19-L263 WeakPolarHBondContact CA-O 3.18Å; I20-L263 HydrophobicContact CD1-CB 3.76Å; I20-L263 HydrophobicContact CD1-CD1 3.86Å; I20-L263 HydrophobicContact CD1-CG 4.32Å; I20-L263 HydrophobicContact CG1-CB 3.88Å; I20-L263 WeakPolarHBondContact CG1-O 3.05Å; I20-L263 PolarHBondContact N-O 2.93Å; I20-L263 PolarHBondContact O-N 3.43Å; Y22-L263 HydrophobicContact CD1-CD1 3.61Å; Y22-L263 HydrophobicContact CD1-CG 4.15Å; Y22-L263 HydrophobicContact CE1-CD1 3.14Å; Y22-L263 HydrophobicContact CE1-CD2 4.41Å; Y22-L263 HydrophobicContact CE1-CG 3.61Å; I84-L263 HydrophobicContact CD1-CD1 4.02Å; I84-L263 HydrophobicContact CG2-CD1 4.08Å; C89-L263 HydrophobicContact CB-CD2 3.22Å
264M62Low62.4Low31 Ų3152.2 Ų52.215%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-95.5116.3162.9-173.1160.9107.100110.3Q4 C6 R15 V202 L266Q4-M264 HydrophobicContact CB-SD 3.78Å; C6-M264 HydrophobicContact CB-CE 3.65Å; C6-M264 HydrophobicContact CB-SD 4.14Å; C6-M264 VanDerWaalsContact SG-CE 3.52Å; C6-M264 PolarHBondContact SG-SD 2.88Å; R15-M264 HydrophobicContact CB-CE 3.54Å; R15-M264 WeakPolarHBondContact O-CE 3.44Å; V202-M264 HydrophobicContact CG1-CB 3.85Å; M264-L266 HydrophobicContact CE-CD2 3.28Å; M264-L266 HydrophobicContact CE-CG 4.49Å; M264-L266 HydrophobicContact CG-CD2 4.45Å
265M61.2Low60.1Low20 Ų2056.5 Ų56.510%0.09932%0.32CS..EExtended strand (participates in β ladder)trans-84.1120.1171.7-73.4161.7-179.800110.9G17 L18 I20 V270G17-M265 CarbonylContact C-O 3.59Å; G17-M265 WeakPolarHBondContact CA-O 3.32Å; L18-M265 PolarHBondContact N-O 3.15Å; L18-M265 PolarHBondContact O-N 3.34Å; I20-M265 HydrophobicContact CB-CE 3.55Å; I20-M265 HydrophobicContact CB-SD 4Å; I20-M265 HydrophobicContact CD1-CE 3.1Å; I20-M265 HydrophobicContact CD1-CG 4.34Å; I20-M265 HydrophobicContact CD1-SD 4.24Å; I20-M265 HydrophobicContact CG1-CE 3.12Å; I20-M265 HydrophobicContact CG1-CG 3.79Å; I20-M265 HydrophobicContact CG1-SD 3.63Å; I20-M265 HydrophobicContact CG2-CE 3.41Å; I20-M265 VanDerWaalsContact CG2-CE 3.41Å; I20-M265 HydrophobicContact CG2-CG 4.38Å; I20-M265 HydrophobicContact CG2-SD 3.3Å; I20-M265 WeakPolarHBondContact CG2-SD 3.48Å; M265-V270 HydrophobicContact CE-CB 3.64Å; M265-V270 HydrophobicContact CE-CG1 3.13Å; M265-V270 HydrophobicContact CE-CG2 3.18Å; M265-V270 HydrophobicContact CG-CG2 4.37Å; M265-V270 HydrophobicContact SD-CB 4.14Å; M265-V270 HydrophobicContact SD-CG1 4.26Å; M265-V270 HydrophobicContact SD-CG2 3.15Å; M265-V270 WeakPolarHBondContact SD-CG2 3.09Å
266L55Low57.8Low66 Ų6660 Ų6035%0.34634%0.341SS..EExtended strand (participates in β ladder)trans-88129.7171.7-56.4174.2000108.4R15 M264R15-L266 HydrophobicContact CB-CD2 3.62Å; R15-L266 HydrophobicContact CG-CD2 4.08Å; M264-L266 HydrophobicContact CE-CD2 3.28Å; M264-L266 HydrophobicContact CE-CG 4.49Å; M264-L266 HydrophobicContact CG-CD2 4.45Å
267N53.3Low55.7Low155 Ų15564.5 Ų64.583%0.82937%0.365SS*.THydrogen-bonded Turntrans70.922.6172.9-55.7-33.1000118.2A269N267-A269 PolarHBondContact O-N 3.15Å
268G43.2Very low54Low54 Ų5465.7 Ų65.756%0.55737%0.373SS*.THydrogen-bonded Turntrans66.5-2.8171.300000115.7V270G268-V270 PolarHBondContact O-N 3.15Å; G268-V270 VanDerWaalsContact O-N 3.11Å
269A36.8Very low52.9Low69 Ų6966.9 Ų66.957%0.5739%0.387SS*.  trans-84.385.8176.400000109.6N267 M271N267-A269 PolarHBondContact O-N 3.15Å; A269-M271 PolarHBondContact O-N 2.87Å
270V39.5Very low51.8Low74 Ų7472.5 Ų72.545%0.44841%0.414SS..  trans-83.496.3157-156.50000105.8M265 G268 A272M265-V270 HydrophobicContact CE-CB 3.64Å; M265-V270 HydrophobicContact CE-CG1 3.13Å; M265-V270 HydrophobicContact CE-CG2 3.18Å; M265-V270 HydrophobicContact CG-CG2 4.37Å; M265-V270 HydrophobicContact SD-CB 4.14Å; M265-V270 HydrophobicContact SD-CG1 4.26Å; M265-V270 HydrophobicContact SD-CG2 3.15Å; M265-V270 WeakPolarHBondContact SD-CG2 3.09Å; G268-V270 PolarHBondContact O-N 3.15Å; G268-V270 VanDerWaalsContact O-N 3.11Å; V270-A272 HydrophobicContact CG1-CB 3.78Å; V270-A272 PolarHBondContact O-N 3.14Å; V270-A272 VanDerWaalsContact O-N 3.08Å
271M32.1Very low50.3Low147 Ų14770.2 Ų70.272%0.72441%0.405SS*.  trans-81.671.7153.5-63.8-70.2-78.400105.3A269 S273A269-M271 PolarHBondContact O-N 2.87Å; M271-S273 PolarHBondContact O-N 2.89Å
272A34Very low49.7Very low62 Ų6275.4 Ų75.451%0.51242%0.423SS..  trans-66.9100.9156.700000100.6V270 E274V270-A272 HydrophobicContact CG1-CB 3.78Å; V270-A272 PolarHBondContact O-N 3.14Å; V270-A272 VanDerWaalsContact O-N 3.08Å; A272-E274 PolarHBondContact O-N 2.87Å
273S31.4Very low49.7Very low34 Ų3480 Ų8024%0.23844%0.444CS..  trans-50.4124.1-173.8-1740000107.3M271 N275 V276M271-S273 PolarHBondContact O-N 2.89Å; S273-N275 PolarHBondContact O-N 3.26Å; S273-N275 WeakPolarHBondContact OG-CB 3.29Å; S273-N275 PolarHBondContact OG-N 3.45Å; S273-N275 PolarHBondContact OG-ND2 3.27Å; S273-V276 WeakPolarHBondContact O-CG2 3.43Å; S273-V276 PolarHBondContact O-N 3.48Å; S273-V276 VanDerWaalsContact O-N 3.12Å
274E35.4Very low49.6Very low191 Ų19182.5 Ų82.589%0.89346%0.455SS*.G310 helixtrans-53.6-10.8167.6-71-177.6150.200110.5A272 V276A272-E274 PolarHBondContact O-N 2.87Å; E274-V276 VanDerWaalsContact C-N 3.3Å; E274-V276 PolarHBondContact O-N 3.13Å
275N40.5Very low49.4Very low90 Ų9084.4 Ų84.448%0.48147%0.465SS..G310 helixtrans-68.1-13.7176-52.4-16.9000115.3S273 N277 T278 N281S273-N275 PolarHBondContact O-N 3.26Å; S273-N275 WeakPolarHBondContact OG-CB 3.29Å; S273-N275 PolarHBondContact OG-N 3.45Å; S273-N275 PolarHBondContact OG-ND2 3.27Å; N275-N277 PolarHBondContact O-N 3.24Å; N275-N277 VanDerWaalsContact O-N 3.08Å; N275-T278 VanDerWaalsContact CA-CG2 3.47Å; N275-T278 HydrophobicContact CB-CG2 3.89Å; N275-T278 WeakPolarHBondContact O-CB 3.38Å; N275-T278 PolarHBondContact O-N 3.33Å; N275-T278 PolarHBondContact O-OG1 2.98Å; N275-N281 PolarHBondContact O-ND2 3.15Å
276V42Very low49.6Very low73 Ų7389.9 Ų89.944%0.44249%0.489SS..G310 helixtrans-57.4-32.1-176.8-179.30000112.6I83 S273 E274I83-V276 HydrophobicContact CB-CG2 4.3Å; I83-V276 HydrophobicContact CD1-CG1 4.48Å; I83-V276 HydrophobicContact CD1-CG2 4.31Å; I83-V276 HydrophobicContact CG1-CG2 4.08Å; I83-V276 HydrophobicContact CG2-CG2 3.39Å; S273-V276 WeakPolarHBondContact O-CG2 3.43Å; S273-V276 PolarHBondContact O-N 3.48Å; S273-V276 VanDerWaalsContact O-N 3.12Å; E274-V276 VanDerWaalsContact C-N 3.3Å; E274-V276 PolarHBondContact O-N 3.13Å
277N45.1Very low50.3Low109 Ų10992 Ų9258%0.58350%0.497SS*.G310 helixtrans-113.431.5178-1559.8000113.1N275 R282N275-N277 PolarHBondContact O-N 3.24Å; N275-N277 VanDerWaalsContact O-N 3.08Å; N277-R282 VanDerWaalsContact CG-NH1 3.3Å; N277-R282 VanDerWaalsContact O-CZ 3.31Å; N277-R282 PolarHBondContact O-NH1 2.9Å; N277-R282 PolarHBondContact O-NH2 3.45Å; N277-R282 WeakPolarHBondContact OD1-CD 3.31Å; N277-R282 PolarHBondContact OD1-NH1 3.4Å
278T55Low50.5Low26 Ų2687.5 Ų87.516%0.1647%0.471CS..  trans-66149.7171.844.80000111.7N275 E280 N281 R282N275-T278 VanDerWaalsContact CA-CG2 3.47Å; N275-T278 HydrophobicContact CB-CG2 3.89Å; N275-T278 WeakPolarHBondContact O-CB 3.38Å; N275-T278 PolarHBondContact O-N 3.33Å; N275-T278 PolarHBondContact O-OG1 2.98Å; T278-E280 VanDerWaalsContact CB-OE2 3.27Å; T278-E280 WeakPolarHBondContact CB-OE2 3.36Å; T278-E280 PolarHBondContact O-N 2.71Å; T278-N281 PolarHBondContact O-N 3.12Å; T278-N281 VanDerWaalsContact OG1-CB 3.29Å; T278-N281 WeakPolarHBondContact OG1-CB 3.5Å; T278-N281 VanDerWaalsContact OG1-CG 3.31Å; T278-N281 PolarHBondContact OG1-N 3.33Å; T278-R282 PolarHBondContact O-N 3.34Å
279P66.4Low51.3Low78 Ų7888.3 Ų88.351%0.50646%0.46SS..Hα-helixtrans-49-40.1166.3-24.433.9000112.3R282 Q283P279-R282 PolarHBondContact O-N 3.5Å; P279-Q283 VanDerWaalsContact O-CB 3.28Å; P279-Q283 WeakPolarHBondContact O-CB 3.22Å; P279-Q283 PolarHBondContact O-N 3.03Å
280E64.2Low52.8Low125 Ų12589.1 Ų89.158%0.58446%0.455SS*.Hα-helixtrans-62.6-50.5178.1-64.177.1-166.700111.8T278 R282 Q283 F284T278-E280 VanDerWaalsContact CB-OE2 3.27Å; T278-E280 WeakPolarHBondContact CB-OE2 3.36Å; T278-E280 PolarHBondContact O-N 2.71Å; E280-R282 PolarHBondContact O-N 3.22Å; E280-Q283 CarbonylContact O-C 3.58Å; E280-Q283 WeakPolarHBondContact O-CB 3.41Å; E280-Q283 PolarHBondContact O-N 3.39Å; E280-Q283 VanDerWaalsContact O-N 3.13Å; E280-F284 PolarHBondContact O-N 3.25Å
281N51.4Low53.8Low26 Ų2689 Ų8914%0.13945%0.451CS..Hα-helixtrans-65.9-37.2178.2-78.5-7.9000112.3N275 T278 Q283 F284 L285N275-N281 PolarHBondContact O-ND2 3.15Å; T278-N281 PolarHBondContact O-N 3.12Å; T278-N281 VanDerWaalsContact OG1-CB 3.29Å; T278-N281 WeakPolarHBondContact OG1-CB 3.5Å; T278-N281 VanDerWaalsContact OG1-CG 3.31Å; T278-N281 PolarHBondContact OG1-N 3.33Å; N281-Q283 VanDerWaalsContact C-N 3.3Å; N281-Q283 PolarHBondContact O-N 3.26Å; N281-F284 PolarHBondContact O-N 3.46Å; N281-L285 WeakPolarHBondContact O-CB 3.37Å; N281-L285 VanDerWaalsContact O-CG 3.3Å; N281-L285 WeakPolarHBondContact O-CG 3.38Å; N281-L285 PolarHBondContact O-N 2.85Å
282R61.2Low54.7Low118 Ų11883.3 Ų83.345%0.44543%0.426SS..Hα-helixtrans-63.4-38.1172.2-74.5-172.6-71.1-126.52.4111.9N277 T278 P279 E280 K286N277-R282 VanDerWaalsContact CG-NH1 3.3Å; N277-R282 VanDerWaalsContact O-CZ 3.31Å; N277-R282 PolarHBondContact O-NH1 2.9Å; N277-R282 PolarHBondContact O-NH2 3.45Å; N277-R282 WeakPolarHBondContact OD1-CD 3.31Å; N277-R282 PolarHBondContact OD1-NH1 3.4Å; T278-R282 PolarHBondContact O-N 3.34Å; P279-R282 PolarHBondContact O-N 3.5Å; E280-R282 PolarHBondContact O-N 3.22Å; R282-K286 WeakPolarHBondContact O-CB 3.36Å; R282-K286 WeakPolarHBondContact O-CG 3.34Å; R282-K286 PolarHBondContact O-N 2.95Å
283Q71Confident56.1Low122 Ų12286.4 Ų86.457%0.5742%0.424SS*.Hα-helixtrans-69.7-39.3176.7-173172.1-8.800111.4P279 E280 N281 K286 Q287P279-Q283 VanDerWaalsContact O-CB 3.28Å; P279-Q283 WeakPolarHBondContact O-CB 3.22Å; P279-Q283 PolarHBondContact O-N 3.03Å; E280-Q283 CarbonylContact O-C 3.58Å; E280-Q283 WeakPolarHBondContact O-CB 3.41Å; E280-Q283 PolarHBondContact O-N 3.39Å; E280-Q283 VanDerWaalsContact O-N 3.13Å; N281-Q283 VanDerWaalsContact C-N 3.3Å; N281-Q283 PolarHBondContact O-N 3.26Å; Q283-K286 PolarHBondContact O-N 2.78Å; Q283-Q287 WeakPolarHBondContact O-CB 3.46Å; Q283-Q287 WeakPolarHBondContact O-CG 3.26Å; Q283-Q287 PolarHBondContact O-N 3.16Å
284F62.1Low57.8Low63 Ų6390.7 Ų90.728%0.27644%0.441SS..Hα-helixtrans-63.2-46.7173.2177.5-94.3000111.9L77 L81 E280 N281 K286 Q287 Q288L77-F284 HydrophobicContact CD1-CE1 4Å; L81-F284 HydrophobicContact CD2-CD1 3.55Å; L81-F284 HydrophobicContact CD2-CE1 3.69Å; L81-F284 HydrophobicContact CD2-CG 4.28Å; L81-F284 HydrophobicContact CG-CE1 4.42Å; E280-F284 PolarHBondContact O-N 3.25Å; N281-F284 PolarHBondContact O-N 3.46Å; F284-K286 VanDerWaalsContact C-N 3.34Å; F284-K286 PolarHBondContact O-N 2.87Å; F284-Q287 CarbonylContact O-C 3.26Å; F284-Q287 WeakPolarHBondContact O-CA 3.2Å; F284-Q287 WeakPolarHBondContact O-CB 3.48Å; F284-Q287 PolarHBondContact O-N 3.33Å; F284-Q287 VanDerWaalsContact O-N 3.08Å; F284-Q288 HydrophobicContact CD1-CG 4.18Å; F284-Q288 HydrophobicContact CE1-CG 3.71Å; F284-Q288 HydrophobicContact CE2-CG 4.4Å; F284-Q288 HydrophobicContact CZ-CG 3.84Å; F284-Q288 WeakPolarHBondContact O-CG 3.39Å; F284-Q288 PolarHBondContact O-N 3.07Å
285L55.9Low58.8Low71 Ų7182.3 Ų82.337%0.37240%0.402SS..Hα-helixtrans-60.4-43.7175.4-71.2172000111.3L77 N281 Q287 Q288 E289L77-L285 HydrophobicContact CD2-CD2 3.91Å; N281-L285 WeakPolarHBondContact O-CB 3.37Å; N281-L285 VanDerWaalsContact O-CG 3.3Å; N281-L285 WeakPolarHBondContact O-CG 3.38Å; N281-L285 PolarHBondContact O-N 2.85Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 2.69Å; L285-Q288 PolarHBondContact O-N 2.8Å; L285-E289 WeakPolarHBondContact O-CG 3.35Å; L285-E289 PolarHBondContact O-N 3.4Å
286K66.5Low59.5Low135 Ų13580.9 Ų80.959%0.58739%0.39SS*.Hα-helixtrans-63.2-36.2172.4-80.4-172.3176-174.80112.6R282 Q283 F284 E289 N290R282-K286 WeakPolarHBondContact O-CB 3.36Å; R282-K286 WeakPolarHBondContact O-CG 3.34Å; R282-K286 PolarHBondContact O-N 2.95Å; Q283-K286 PolarHBondContact O-N 2.78Å; F284-K286 VanDerWaalsContact C-N 3.34Å; F284-K286 PolarHBondContact O-N 2.87Å; K286-E289 PolarHBondContact O-N 3.16Å; K286-N290 VanDerWaalsContact O-CB 3.26Å; K286-N290 WeakPolarHBondContact O-CB 3.2Å; K286-N290 PolarHBondContact O-N 2.81Å; K286-N290 PolarHBondContact O-ND2 3.1Å
287Q68.9Low60.8Low111 Ų11185.1 Ų85.152%0.51941%0.405SS..Hα-helixtrans-65.4-41.8174.1-86.2177.7-26.500111.1Q283 F284 L285 N290 L291Q283-Q287 WeakPolarHBondContact O-CB 3.46Å; Q283-Q287 WeakPolarHBondContact O-CG 3.26Å; Q283-Q287 PolarHBondContact O-N 3.16Å; F284-Q287 CarbonylContact O-C 3.26Å; F284-Q287 WeakPolarHBondContact O-CA 3.2Å; F284-Q287 WeakPolarHBondContact O-CB 3.48Å; F284-Q287 PolarHBondContact O-N 3.33Å; F284-Q287 VanDerWaalsContact O-N 3.08Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 2.69Å; Q287-N290 PolarHBondContact O-N 3.35Å; Q287-L291 WeakPolarHBondContact O-CB 3.45Å; Q287-L291 PolarHBondContact O-N 2.97Å
288Q57.2Low62Low60 Ų6088.1 Ų88.128%0.2841%0.413SS..Hα-helixtrans-63.5-44.7174.2-74.8-67.6-32.400111.4F284 L285 N290 L291 S292F284-Q288 HydrophobicContact CD1-CG 4.18Å; F284-Q288 HydrophobicContact CE1-CG 3.71Å; F284-Q288 HydrophobicContact CE2-CG 4.4Å; F284-Q288 HydrophobicContact CZ-CG 3.84Å; F284-Q288 WeakPolarHBondContact O-CG 3.39Å; F284-Q288 PolarHBondContact O-N 3.07Å; L285-Q288 PolarHBondContact O-N 2.8Å; Q288-N290 PolarHBondContact O-N 3.26Å; Q288-L291 PolarHBondContact O-N 2.69Å; Q288-S292 WeakPolarHBondContact O-CB 3.43Å; Q288-S292 PolarHBondContact O-N 2.84Å
289E60.1Low62.2Low70 Ų7090.2 Ų90.233%0.32743%0.426SS..Hα-helixtrans-59.2-46.5172.8-74.8-177.2165.500111.4L285 K286 S292 R293L285-E289 WeakPolarHBondContact O-CG 3.35Å; L285-E289 PolarHBondContact O-N 3.4Å; K286-E289 PolarHBondContact O-N 3.16Å; E289-S292 PolarHBondContact O-N 3.35Å; E289-S292 PolarHBondContact O-OG 2.74Å; E289-R293 WeakPolarHBondContact O-CG 3.49Å; E289-R293 PolarHBondContact O-N 3.48Å
290N70Confident62.2Low86 Ų8689.3 Ų89.346%0.4642%0.418SS..Hα-helixtrans-65.4-39.9178-76-20.6000112.3K286 Q287 Q288 R293 Q294K286-N290 VanDerWaalsContact O-CB 3.26Å; K286-N290 WeakPolarHBondContact O-CB 3.2Å; K286-N290 PolarHBondContact O-N 2.81Å; K286-N290 PolarHBondContact O-ND2 3.1Å; Q287-N290 PolarHBondContact O-N 3.35Å; Q288-N290 PolarHBondContact O-N 3.26Å; N290-R293 WeakPolarHBondContact O-CB 3.21Å; N290-R293 PolarHBondContact O-N 3.27Å; N290-Q294 WeakPolarHBondContact O-CB 3.44Å; N290-Q294 WeakPolarHBondContact O-CG 3.49Å; N290-Q294 PolarHBondContact O-N 3.33Å
291L60.3Low62.6Low73 Ų7391 Ų9138%0.38243%0.425SS..Hα-helixtrans-63.4-45.4175.3179.563.4000110Q287 Q288 R293 Q294 L295Q287-L291 WeakPolarHBondContact O-CB 3.45Å; Q287-L291 PolarHBondContact O-N 2.97Å; Q288-L291 PolarHBondContact O-N 2.69Å; L291-R293 VanDerWaalsContact C-N 3.28Å; L291-R293 PolarHBondContact O-N 3.36Å; L291-Q294 PolarHBondContact O-N 2.84Å; L291-Q294 VanDerWaalsContact O-N 3.16Å; L291-L295 HydrophobicContact CD1-CD1 4.32Å; L291-L295 HydrophobicContact CD1-CG 4.23Å; L291-L295 HydrophobicContact CG-CD1 4.01Å; L291-L295 HydrophobicContact CG-CG 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.39Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3Å; L291-L295 PolarHBondContact O-N 2.89Å
292S50.5Low63.6Low27 Ų2797.3 Ų97.319%0.18945%0.454CS..Hα-helixtrans-59.7-38.8174.880.20000111.9Q288 E289 R296Q288-S292 WeakPolarHBondContact O-CB 3.43Å; Q288-S292 PolarHBondContact O-N 2.84Å; E289-S292 PolarHBondContact O-N 3.35Å; E289-S292 PolarHBondContact O-OG 2.74Å; S292-R296 WeakPolarHBondContact O-CD 3.04Å; S292-R296 WeakPolarHBondContact O-CG 3.42Å; S292-R296 PolarHBondContact O-N 3.47Å; S292-R296 VanDerWaalsContact O-N 3.1Å
293R63.7Low63.5Low127 Ų12794 Ų9448%0.47944%0.444SS..Hα-helixtrans-66.3-45173.7-74-177.8-178.5-159.32.8111.9E289 N290 L291 R296 E297E289-R293 WeakPolarHBondContact O-CG 3.49Å; E289-R293 PolarHBondContact O-N 3.48Å; N290-R293 WeakPolarHBondContact O-CB 3.21Å; N290-R293 PolarHBondContact O-N 3.27Å; L291-R293 VanDerWaalsContact C-N 3.28Å; L291-R293 PolarHBondContact O-N 3.36Å; R293-R296 WeakPolarHBondContact O-CB 3.36Å; R293-R296 PolarHBondContact O-N 2.77Å; R293-E297 PolarHBondContact O-N 2.9Å; R293-E297 VanDerWaalsContact O-N 3.07Å
294Q66.7Low63.1Low124 Ų12491.5 Ų91.558%0.57943%0.432SS*.Hα-helixtrans-61.9-45.1177.6-77.2178.80.800111.6N290 L291 R296 E297 K298N290-Q294 WeakPolarHBondContact O-CB 3.44Å; N290-Q294 WeakPolarHBondContact O-CG 3.49Å; N290-Q294 PolarHBondContact O-N 3.33Å; L291-Q294 PolarHBondContact O-N 2.84Å; L291-Q294 VanDerWaalsContact O-N 3.16Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 3.49Å; Q294-E297 PolarHBondContact O-N 3.39Å; Q294-E297 VanDerWaalsContact O-N 3.16Å; Q294-K298 PolarHBondContact O-N 3.09Å
295L55.8Low63.6Low15 Ų1590.9 Ų90.98%0.07944%0.439CS..Hα-helixtrans-61.4-37.6176.7-71.9171.2000111.7L41 G42 L291 K298 P299 D300 L303L41-L295 WeakPolarHBondContact O-CB 3.4Å; G42-L295 WeakPolarHBondContact CA-O 3.28Å; L291-L295 HydrophobicContact CD1-CD1 4.32Å; L291-L295 HydrophobicContact CD1-CG 4.23Å; L291-L295 HydrophobicContact CG-CD1 4.01Å; L291-L295 HydrophobicContact CG-CG 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.39Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3Å; L291-L295 PolarHBondContact O-N 2.89Å; L295-K298 CarbonylContact O-C 3.29Å; L295-K298 VanDerWaalsContact O-C 3.27Å; L295-P299 WeakPolarHBondContact O-CA 3.36Å; L295-D300 HydrophobicContact CD2-CB 3.39Å; L295-L303 HydrophobicContact CD1-CD1 4.48Å; L295-L303 HydrophobicContact CD2-CD1 4.29Å
296R55.8Low64.3Low60 Ų6091.8 Ų91.823%0.22644%0.437CS..Hα-helixtrans-64.9-37.5173.9-73.5168.2-167.3166.49.2113.1V39 N40 V221 N222 S292 R293 Q294V39-R296 WeakPolarHBondContact O-CG 3.23Å; V39-R296 PolarHBondContact O-NE 3.41Å; N40-R296 PolarHBondContact OD1-NH2 3.26Å; V221-R296 PolarHBondContact O-NH1 3.47Å; V221-R296 PolarHBondContact O-NH2 3Å; V221-R296 VanDerWaalsContact O-NH2 3.1Å; N222-R296 VanDerWaalsContact CB-NH2 3.29Å; N222-R296 PolarHBondContact ND2-NE 2.96Å; N222-R296 PolarHBondContact ND2-NH2 3.1Å; N222-R296 PolarHBondContact OD1-NE 2.86Å; N222-R296 PolarHBondContact OD1-NH1 3.44Å; S292-R296 WeakPolarHBondContact O-CD 3.04Å; S292-R296 WeakPolarHBondContact O-CG 3.42Å; S292-R296 PolarHBondContact O-N 3.47Å; S292-R296 VanDerWaalsContact O-N 3.1Å; R293-R296 WeakPolarHBondContact O-CB 3.36Å; R293-R296 PolarHBondContact O-N 2.77Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 3.49Å
297E69.6Low63.8Low162 Ų16285.4 Ų85.476%0.75741%0.409SS*.Hα-helixtrans-81.1-35.7179.9-71.3179.7-178.200112.6R293 Q294R293-E297 PolarHBondContact O-N 2.9Å; R293-E297 VanDerWaalsContact O-N 3.07Å; Q294-E297 PolarHBondContact O-N 3.39Å; Q294-E297 VanDerWaalsContact O-N 3.16Å
298K69.1Low63.6Low172 Ų17283 Ų8375%0.74840%0.398SS*.SBendtrans-136.596.8179.6-69.7-175-177.8177.70109.1Q294 L295 D300Q294-K298 PolarHBondContact O-N 3.09Å; L295-K298 CarbonylContact O-C 3.29Å; L295-K298 VanDerWaalsContact O-C 3.27Å; K298-D300 PolarHBondContact O-N 3.06Å
299P59.5Low64.2Low69 Ų6985.8 Ų85.845%0.44841%0.409SS..  trans-56.4125.6177.8-19.428.3000110.5G42 F43 L295 H301G42-P299 WeakPolarHBondContact O-CG 3.36Å; F43-P299 HydrophobicContact CB-CB 4.17Å; L295-P299 WeakPolarHBondContact O-CA 3.36Å; P299-H301 PolarHBondContact O-N 2.97Å
300D66.1Low64.1Low60 Ų6084.6 Ų84.632%0.32140%0.403SS..  trans-76.1119.7176.4-177.6-24.4000110.1L295 K298 Q302 L303 K304L295-D300 HydrophobicContact CD2-CB 3.39Å; K298-D300 PolarHBondContact O-N 3.06Å; D300-Q302 VanDerWaalsContact C-N 3.34Å; D300-Q302 PolarHBondContact O-N 3.29Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.46Å; D300-Q302 PolarHBondContact OD1-N 2.78Å; D300-L303 HydrophobicContact CB-CB 3.9Å; D300-L303 HydrophobicContact CB-CD1 4.47Å; D300-L303 PolarHBondContact O-N 3.44Å; D300-L303 PolarHBondContact OD1-N 3.26Å; D300-K304 WeakPolarHBondContact O-CB 3.33Å; D300-K304 PolarHBondContact O-N 3.46Å
301H72.7Confident63.4Low160 Ų16082 Ų8274%0.74139%0.391SS*.Hα-helixtrans-63.8-34.4-179.6-75.8-77.5000113.3P299 A305P299-H301 PolarHBondContact O-N 2.97Å; H301-A305 VanDerWaalsContact O-CB 3.32Å; H301-A305 WeakPolarHBondContact O-CB 3.38Å; H301-A305 PolarHBondContact O-N 3.43Å
302Q72.6Confident63.4Low158 Ų15884.8 Ų84.874%0.73841%0.406SS*.Hα-helixtrans-70.1-42.1177-71.2-171.2-36.700111D300 A305 W306D300-Q302 VanDerWaalsContact C-N 3.34Å; D300-Q302 PolarHBondContact O-N 3.29Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.46Å; D300-Q302 PolarHBondContact OD1-N 2.78Å; Q302-A305 PolarHBondContact O-N 3.18Å; Q302-W306 WeakPolarHBondContact O-CB 3.43Å; Q302-W306 PolarHBondContact O-N 2.9Å
303L59.2Low63.8Low48 Ų4888.1 Ų88.125%0.25142%0.418SS..Hα-helixtrans-66.7-40.6178.9-126.6130.6000111.4L41 F43 L295 D300 W306 A307L41-L303 HydrophobicContact CD2-CD2 4.44Å; F43-L303 HydrophobicContact CE1-CD2 3.96Å; L295-L303 HydrophobicContact CD1-CD1 4.48Å; L295-L303 HydrophobicContact CD2-CD1 4.29Å; D300-L303 HydrophobicContact CB-CB 3.9Å; D300-L303 HydrophobicContact CB-CD1 4.47Å; D300-L303 PolarHBondContact O-N 3.44Å; D300-L303 PolarHBondContact OD1-N 3.26Å; L303-W306 PolarHBondContact O-N 3.41Å; L303-A307 WeakPolarHBondContact O-CB 3.23Å; L303-A307 PolarHBondContact O-N 2.74Å
304K63.4Low62.8Low70 Ų7088.1 Ų88.130%0.30443%0.428SS..Hα-helixtrans-60.1-46.9170.9-178.7174.9172.1169.70111.6F43 S44 D300 W306 A307 E308F43-K304 HydrophobicContact CB-CB 4.12Å; F43-K304 HydrophobicContact CB-CD 4.37Å; F43-K304 HydrophobicContact CB-CG 4.32Å; F43-K304 HydrophobicContact CD1-CB 4.46Å; F43-K304 HydrophobicContact CD2-CB 4.23Å; F43-K304 HydrophobicContact CD2-CG 4.1Å; F43-K304 HydrophobicContact CG-CB 4.03Å; F43-K304 HydrophobicContact CG-CG 4.31Å; S44-K304 VanDerWaalsContact O-CE 3.31Å; S44-K304 WeakPolarHBondContact O-CE 3.22Å; S44-K304 PolarHBondContact O-NZ 3.3Å; D300-K304 WeakPolarHBondContact O-CB 3.33Å; D300-K304 PolarHBondContact O-N 3.46Å; K304-W306 VanDerWaalsContact C-N 3.34Å; K304-W306 PolarHBondContact O-N 3.49Å; K304-A307 PolarHBondContact O-N 2.76Å; K304-E308 WeakPolarHBondContact CE-OE1 3.48Å; K304-E308 HydrophobicContact CG-CG 4.47Å; K304-E308 IonicContact NZ-OE1 2.87Å; K304-E308 WeakPolarHBondContact O-CB 3.29Å; K304-E308 WeakPolarHBondContact O-CG 3.5Å; K304-E308 PolarHBondContact O-N 2.98Å
305A72.3Confident61.9Low51 Ų5187.1 Ų87.142%0.42143%0.432SS..Hα-helixtrans-64.1-37.8178.300000112.4H301 Q302 K309H301-A305 VanDerWaalsContact O-CB 3.32Å; H301-A305 WeakPolarHBondContact O-CB 3.38Å; H301-A305 PolarHBondContact O-N 3.43Å; Q302-A305 PolarHBondContact O-N 3.18Å; A305-K309 VanDerWaalsContact O-CB 3.27Å; A305-K309 WeakPolarHBondContact O-CB 3.4Å; A305-K309 PolarHBondContact O-N 2.88Å
306W70.7Confident61.3Low90 Ų9089.8 Ų89.834%0.34145%0.446SS..Hα-helixtrans-62.3-46.3172.9166.484.6000111.6L95 I97 Q302 L303 K304 K309 Q310L95-W306 VanDerWaalsContact O-CH2 3.32Å; L95-W306 WeakPolarHBondContact O-CH2 3.31Å; L95-W306 WeakPolarHBondContact O-CZ2 3.21Å; I97-W306 HydrophobicContact CD1-CZ3 4.47Å; Q302-W306 WeakPolarHBondContact O-CB 3.43Å; Q302-W306 PolarHBondContact O-N 2.9Å; L303-W306 PolarHBondContact O-N 3.41Å; K304-W306 VanDerWaalsContact C-N 3.34Å; K304-W306 PolarHBondContact O-N 3.49Å; W306-K309 WeakPolarHBondContact O-CB 3.38Å; W306-K309 PolarHBondContact O-N 2.83Å; W306-Q310 HydrophobicContact CD2-CG 4.31Å; W306-Q310 HydrophobicContact CH2-CG 4.49Å; W306-Q310 HydrophobicContact CZ2-CG 3.88Å; W306-Q310 PolarHBondContact O-N 2.67Å
307A55.4Low61.1Low0 Ų093.6 Ų93.60%047%0.466CS..Hα-helixtrans-65.9-41.1178.500000112.4F43 L45 I97 L303 K304 K309 Q310 V311F43-A307 HydrophobicContact CE1-CB 4.21Å; F43-A307 HydrophobicContact CE2-CB 3.47Å; F43-A307 VanDerWaalsContact CE2-CB 3.47Å; F43-A307 HydrophobicContact CZ-CB 3.21Å; L45-A307 HydrophobicContact CD2-CB 3.98Å; I97-A307 HydrophobicContact CD1-CB 3.77Å; L303-A307 WeakPolarHBondContact O-CB 3.23Å; L303-A307 PolarHBondContact O-N 2.74Å; K304-A307 PolarHBondContact O-N 2.76Å; A307-K309 VanDerWaalsContact C-N 3.31Å; A307-K309 PolarHBondContact O-N 2.83Å; A307-Q310 PolarHBondContact O-N 3.16Å; A307-V311 WeakPolarHBondContact O-CG2 3.36Å; A307-V311 PolarHBondContact O-N 2.88Å
308E65.8Low60.4Low60 Ų6097.1 Ų97.128%0.2847%0.472SS..Hα-helixtrans-60.4-41.4171.5-73.1173.7172.300111.1L45 P46 K304 V311 L312L45-E308 HydrophobicContact CD2-CG 3.73Å; P46-E308 WeakPolarHBondContact CD-OE1 3.21Å; P46-E308 HydrophobicContact CG-CG 4.39Å; K304-E308 WeakPolarHBondContact CE-OE1 3.48Å; K304-E308 HydrophobicContact CG-CG 4.47Å; K304-E308 IonicContact NZ-OE1 2.87Å; K304-E308 WeakPolarHBondContact O-CB 3.29Å; K304-E308 WeakPolarHBondContact O-CG 3.5Å; K304-E308 PolarHBondContact O-N 2.98Å; E308-V311 PolarHBondContact O-N 3.19Å; E308-L312 WeakPolarHBondContact O-CB 3.29Å; E308-L312 WeakPolarHBondContact O-CD1 3.18Å; E308-L312 WeakPolarHBondContact O-CG 3.31Å; E308-L312 PolarHBondContact O-N 3.07Å
309K69.5Low59.5Low119 Ų11992.3 Ų92.352%0.51746%0.46SS..Hα-helixtrans-64.7-42.4176.6-167.2-179.4-172.1-108.20112.2A305 W306 A307 V311 L312 E313A305-K309 VanDerWaalsContact O-CB 3.27Å; A305-K309 WeakPolarHBondContact O-CB 3.4Å; A305-K309 PolarHBondContact O-N 2.88Å; W306-K309 WeakPolarHBondContact O-CB 3.38Å; W306-K309 PolarHBondContact O-N 2.83Å; A307-K309 VanDerWaalsContact C-N 3.31Å; A307-K309 PolarHBondContact O-N 2.83Å; K309-V311 VanDerWaalsContact C-N 3.29Å; K309-V311 PolarHBondContact O-N 3.39Å; K309-L312 CarbonylContact O-C 3.56Å; K309-L312 PolarHBondContact O-N 2.83Å; K309-L312 VanDerWaalsContact O-N 3.13Å; K309-E313 WeakPolarHBondContact CE-OE1 3.29Å; K309-E313 HydrophobicContact CG-CG 4.24Å; K309-E313 IonicContact NZ-OE1 3.16Å; K309-E313 PolarHBondContact NZ-OE1 2.9Å; K309-E313 WeakPolarHBondContact O-CB 3.49Å; K309-E313 WeakPolarHBondContact O-CG 3.26Å; K309-E313 PolarHBondContact O-N 2.97Å
310Q58.4Low58.9Low45 Ų4591.9 Ų91.921%0.2146%0.455CS..Hα-helixtrans-58.7-40.7176.1-77.9-61.1-44.700112W306 A307 E313W306-Q310 HydrophobicContact CD2-CG 4.31Å; W306-Q310 HydrophobicContact CH2-CG 4.49Å; W306-Q310 HydrophobicContact CZ2-CG 3.88Å; W306-Q310 PolarHBondContact O-N 2.67Å; A307-Q310 PolarHBondContact O-N 3.16Å; Q310-E313 PolarHBondContact NE2-OE2 3.42Å; Q310-E313 PolarHBondContact O-N 3.43Å
311V54Low58.3Low32 Ų3292.5 Ų92.519%0.19446%0.458CS..Hα-helixtrans-70.4-36.4176-176.70000111.7L45 F48 L100 I103 A307 E308 K309L45-V311 HydrophobicContact CD1-CG2 4.25Å; F48-V311 HydrophobicContact CD1-CG1 4.48Å; F48-V311 HydrophobicContact CE1-CB 4.37Å; F48-V311 HydrophobicContact CE1-CG1 3.46Å; F48-V311 VanDerWaalsContact CE1-CG1 3.46Å; F48-V311 HydrophobicContact CZ-CB 4.36Å; F48-V311 HydrophobicContact CZ-CG1 3.76Å; F48-V311 HydrophobicContact CZ-CG2 4.1Å; L100-V311 HydrophobicContact CD1-CG2 3.67Å; I103-V311 HydrophobicContact CD1-CG1 4.05Å; A307-V311 WeakPolarHBondContact O-CG2 3.36Å; A307-V311 PolarHBondContact O-N 2.88Å; E308-V311 PolarHBondContact O-N 3.19Å; K309-V311 VanDerWaalsContact C-N 3.29Å; K309-V311 PolarHBondContact O-N 3.39Å
312L60.4Low57.9Low132 Ų13290.9 Ų90.969%0.69145%0.45SS*.Hα-helixtrans-69.9-29.5175.6-76.4158.6000113.5E308 K309 N314 P315E308-L312 WeakPolarHBondContact O-CB 3.29Å; E308-L312 WeakPolarHBondContact O-CD1 3.18Å; E308-L312 WeakPolarHBondContact O-CG 3.31Å; E308-L312 PolarHBondContact O-N 3.07Å; K309-L312 CarbonylContact O-C 3.56Å; K309-L312 PolarHBondContact O-N 2.83Å; K309-L312 VanDerWaalsContact O-N 3.13Å; L312-N314 VanDerWaalsContact C-N 3.29Å; L312-P315 WeakPolarHBondContact O-CD 3.26Å
313E59.1Low57.4Low97 Ų9789 Ų8945%0.45344%0.44SS..Hα-helixtrans-75.9-15.1-179.9-78.7178171.200113.3K309 Q310 P315K309-E313 WeakPolarHBondContact CE-OE1 3.29Å; K309-E313 HydrophobicContact CG-CG 4.24Å; K309-E313 IonicContact NZ-OE1 3.16Å; K309-E313 PolarHBondContact NZ-OE1 2.9Å; K309-E313 WeakPolarHBondContact O-CB 3.49Å; K309-E313 WeakPolarHBondContact O-CG 3.26Å; K309-E313 PolarHBondContact O-N 2.97Å; Q310-E313 PolarHBondContact NE2-OE2 3.42Å; Q310-E313 PolarHBondContact O-N 3.43Å; E313-P315 WeakPolarHBondContact O-CD 3.47Å
314N43.7Very low56.8Low127 Ų12788.3 Ų88.368%0.67944%0.436SS*.SBendtrans-111.962.9170.2-75.7-57000111.7L312 L316L312-N314 VanDerWaalsContact C-N 3.29Å; N314-L316 PolarHBondContact O-N 3.05Å
315P46.2Very low56.7Low103 Ų10390.6 Ų90.667%0.66945%0.452SS*.PPolyproline II helixtrans-68127.6-179.729.3-32.4000110.2L312 E313L312-P315 WeakPolarHBondContact O-CD 3.26Å; E313-P315 WeakPolarHBondContact O-CD 3.47Å
316L44.6Very low56.5Low71 Ų7191.5 Ų91.537%0.37245%0.447SS..PPolyproline II helixtrans-56.1141.9167.1-72.9158000109.9I103 N314 D320 L324I103-L316 HydrophobicContact CG2-CD1 3.93Å; N314-L316 PolarHBondContact O-N 3.05Å; L316-D320 HydrophobicContact CB-CB 4.21Å; L316-D320 HydrophobicContact CD2-CB 4.34Å; L316-L324 HydrophobicContact CD1-CD1 3.48Å; L316-L324 VanDerWaalsContact CD1-CD1 3.48Å
317Q51.5Low55.5Low140 Ų14088.1 Ų88.165%0.65444%0.436SS*.PPolyproline II helixtrans-60.8151.8178.6-69.8-174-2.800109.9S319 D320 N321Q317-S319 PolarHBondContact O-N 3.46Å; Q317-S319 VanDerWaalsContact O-N 3.09Å; Q317-D320 WeakPolarHBondContact CB-OD2 3.33Å; Q317-D320 PolarHBondContact N-OD2 2.91Å; Q317-D320 WeakPolarHBondContact O-CA 3.18Å; Q317-D320 WeakPolarHBondContact O-CB 3.47Å; Q317-D320 PolarHBondContact O-N 3.36Å; Q317-N321 PolarHBondContact O-N 2.98Å
318R55.4Low55.4Low235 Ų23590.1 Ų90.189%0.88745%0.448SS*.Hα-helixtrans-56.8-31.3-176.5-130.5179-170.9172.72.2113.1H322R318-H322 PolarHBondContact O-N 2.82Å
319S48.9Very low55.3Low71 Ų7195.1 Ų95.150%0.49746%0.464SS..Hα-helixtrans-64-39.5172.646.50000112.7Q317 H322 F323Q317-S319 PolarHBondContact O-N 3.46Å; Q317-S319 VanDerWaalsContact O-N 3.09Å; S319-H322 PolarHBondContact O-N 3.03Å; S319-F323 PolarHBondContact O-N 3.4Å; S319-F323 VanDerWaalsContact O-N 3.12Å
320D47.2Very low54.7Low61 Ų6195.1 Ų95.133%0.32646%0.464SS..Hα-helixtrans-70.7-36.5-177.9-55.1-25.1000110.4L316 Q317 H322 F323 L324L316-D320 HydrophobicContact CB-CB 4.21Å; L316-D320 HydrophobicContact CD2-CB 4.34Å; Q317-D320 WeakPolarHBondContact CB-OD2 3.33Å; Q317-D320 PolarHBondContact N-OD2 2.91Å; Q317-D320 WeakPolarHBondContact O-CA 3.18Å; Q317-D320 WeakPolarHBondContact O-CB 3.47Å; Q317-D320 PolarHBondContact O-N 3.36Å; D320-H322 PolarHBondContact O-N 2.81Å; D320-F323 PolarHBondContact O-N 3.05Å; D320-L324 WeakPolarHBondContact O-CB 3.33Å; D320-L324 WeakPolarHBondContact O-CG 3.5Å; D320-L324 PolarHBondContact O-N 2.84Å
321N54.1Low53.9Low72 Ų7294 Ų9439%0.38546%0.459SS..Hα-helixtrans-62.1-43.2174.7-69.6-36.2000112.5Q317 F323 L324 D325Q317-N321 PolarHBondContact O-N 2.98Å; N321-F323 VanDerWaalsContact C-N 3.34Å; N321-F323 PolarHBondContact O-N 2.94Å; N321-L324 PolarHBondContact O-N 2.91Å; N321-D325 WeakPolarHBondContact O-CB 3.3Å; N321-D325 PolarHBondContact O-N 3.22Å
322H64.6Low53.8Low127 Ų12796.3 Ų96.359%0.58847%0.468SS*.Hα-helixtrans-64.9-40.1175.9-176.3-79.2000111.6R318 S319 D320 D325 E326R318-H322 PolarHBondContact O-N 2.82Å; S319-H322 PolarHBondContact O-N 3.03Å; D320-H322 PolarHBondContact O-N 2.81Å; H322-D325 PolarHBondContact O-N 3.19Å; H322-E326 WeakPolarHBondContact O-CB 3.31Å; H322-E326 PolarHBondContact O-N 2.81Å
323F60.3Low53.4Low117 Ų11793.3 Ų93.351%0.51346%0.462SS..Hα-helixtrans-63.4-43.3175174.6-108.4000112.1S319 D320 N321 E326 L327S319-F323 PolarHBondContact O-N 3.4Å; S319-F323 VanDerWaalsContact O-N 3.12Å; D320-F323 PolarHBondContact O-N 3.05Å; N321-F323 VanDerWaalsContact C-N 3.34Å; N321-F323 PolarHBondContact O-N 2.94Å; F323-E326 PolarHBondContact O-N 2.86Å; F323-L327 HydrophobicContact CD1-CD1 3.73Å; F323-L327 HydrophobicContact CD2-CD1 4.48Å; F323-L327 HydrophobicContact CE1-CD1 3.21Å; F323-L327 HydrophobicContact CE1-CG 4.24Å; F323-L327 HydrophobicContact CE2-CD1 4.05Å; F323-L327 HydrophobicContact CE2-CG 4.25Å; F323-L327 HydrophobicContact CG-CD1 4.35Å; F323-L327 HydrophobicContact CZ-CD1 3.39Å; F323-L327 HydrophobicContact CZ-CG 4.06Å; F323-L327 WeakPolarHBondContact O-CB 3.48Å; F323-L327 WeakPolarHBondContact O-CG 3.18Å; F323-L327 PolarHBondContact O-N 3.47Å
324L46.7Very low52.5Low35 Ų3592.1 Ų92.118%0.18346%0.464CS..Hα-helixtrans-64.3-43.5176-72.7168.9000111.8P105 L316 D320 N321 E326 L327 V328P105-L324 HydrophobicContact CB-CD2 4.15Å; P105-L324 HydrophobicContact CG-CD2 3.73Å; L316-L324 HydrophobicContact CD1-CD1 3.48Å; L316-L324 VanDerWaalsContact CD1-CD1 3.48Å; D320-L324 WeakPolarHBondContact O-CB 3.33Å; D320-L324 WeakPolarHBondContact O-CG 3.5Å; D320-L324 PolarHBondContact O-N 2.84Å; N321-L324 PolarHBondContact O-N 2.91Å; L324-E326 VanDerWaalsContact C-N 3.35Å; L324-E326 PolarHBondContact O-N 3.27Å; L324-L327 WeakPolarHBondContact O-CB 3.25Å; L324-L327 PolarHBondContact O-N 3.29Å; L324-V328 WeakPolarHBondContact O-CB 3.36Å; L324-V328 VanDerWaalsContact O-CG2 3.27Å; L324-V328 WeakPolarHBondContact O-CG2 3.38Å; L324-V328 PolarHBondContact O-N 3.26Å
325D62.4Low52.2Low117 Ų11791.2 Ų91.263%0.62646%0.456SS*.Hα-helixtrans-62.7-41.9175.8-78-23.9000111.7N321 H322 V328 R329N321-D325 WeakPolarHBondContact O-CB 3.3Å; N321-D325 PolarHBondContact O-N 3.22Å; H322-D325 PolarHBondContact O-N 3.19Å; D325-V328 PolarHBondContact O-N 2.92Å; D325-R329 WeakPolarHBondContact O-CB 3.45Å; D325-R329 PolarHBondContact O-N 3.36Å
326E66.7Low51.8Low70 Ų7092.6 Ų92.633%0.32746%0.458SS..Hα-helixtrans-66-39.5176.2-164.7-175.3158.200111.7H322 F323 L324 R329 K330H322-E326 WeakPolarHBondContact O-CB 3.31Å; H322-E326 PolarHBondContact O-N 2.81Å; F323-E326 PolarHBondContact O-N 2.86Å; L324-E326 VanDerWaalsContact C-N 3.35Å; L324-E326 PolarHBondContact O-N 3.27Å; E326-R329 PolarHBondContact O-N 2.7Å; E326-K330 WeakPolarHBondContact O-CG 3.4Å; E326-K330 PolarHBondContact O-N 3.12Å; E326-K330 IonicContact OE1-NZ 3.88Å; E326-K330 PolarHBondContact OE1-NZ 2.9Å
327L50.1Low51.6Low19 Ų1991.5 Ų91.510%0.09946%0.464CS..Hα-helixtrans-63.1-47.8173.1-90.1173.9000112P105 L112 F323 L324 R329 K330 Q331P105-L327 HydrophobicContact CB-CD1 4.1Å; P105-L327 HydrophobicContact CG-CD1 4.19Å; L112-L327 HydrophobicContact CD1-CD1 4.1Å; L112-L327 HydrophobicContact CD1-CD2 3.74Å; L112-L327 HydrophobicContact CD2-CD2 4.12Å; L112-L327 HydrophobicContact CG-CD2 4.36Å; F323-L327 HydrophobicContact CD1-CD1 3.73Å; F323-L327 HydrophobicContact CD2-CD1 4.48Å; F323-L327 HydrophobicContact CE1-CD1 3.21Å; F323-L327 HydrophobicContact CE1-CG 4.24Å; F323-L327 HydrophobicContact CE2-CD1 4.05Å; F323-L327 HydrophobicContact CE2-CG 4.25Å; F323-L327 HydrophobicContact CG-CD1 4.35Å; F323-L327 HydrophobicContact CZ-CD1 3.39Å; F323-L327 HydrophobicContact CZ-CG 4.06Å; F323-L327 WeakPolarHBondContact O-CB 3.48Å; F323-L327 WeakPolarHBondContact O-CG 3.18Å; F323-L327 PolarHBondContact O-N 3.47Å; L324-L327 WeakPolarHBondContact O-CB 3.25Å; L324-L327 PolarHBondContact O-N 3.29Å; L327-R329 VanDerWaalsContact C-N 3.27Å; L327-R329 PolarHBondContact O-N 3.4Å; L327-K330 CarbonylContact O-C 3.38Å; L327-K330 PolarHBondContact O-N 3.44Å; L327-K330 VanDerWaalsContact O-N 3.12Å; L327-Q331 WeakPolarHBondContact O-CB 3.29Å; L327-Q331 PolarHBondContact O-N 3.43Å
328V53.7Low51.3Low43 Ų4393 Ų9326%0.26147%0.468SS..Hα-helixtrans-59.6-40.7176.5169.20000110.3L324 D325 Q331 Q332L324-V328 WeakPolarHBondContact O-CB 3.36Å; L324-V328 VanDerWaalsContact O-CG2 3.27Å; L324-V328 WeakPolarHBondContact O-CG2 3.38Å; L324-V328 PolarHBondContact O-N 3.26Å; D325-V328 PolarHBondContact O-N 2.92Å; V328-Q331 PolarHBondContact O-N 3.3Å; V328-Q332 WeakPolarHBondContact O-CB 3.3Å; V328-Q332 WeakPolarHBondContact O-CG 3.21Å; V328-Q332 PolarHBondContact O-N 3.4Å
329R64.3Low51.2Low165 Ų16586.5 Ų86.562%0.62346%0.456SS*.Hα-helixtrans-63.6-43.4174.4-169.9-172.469.6159.5-1.1112D325 E326 L327 Q332 A333D325-R329 WeakPolarHBondContact O-CB 3.45Å; D325-R329 PolarHBondContact O-N 3.36Å; E326-R329 PolarHBondContact O-N 2.7Å; L327-R329 VanDerWaalsContact C-N 3.27Å; L327-R329 PolarHBondContact O-N 3.4Å; R329-Q332 PolarHBondContact O-N 2.82Å; R329-A333 PolarHBondContact O-N 3.39Å
330K57.2Low51.7Low119 Ų11992 Ų9252%0.51747%0.466SS..Hα-helixtrans-64.3-40.3174.8-78.9179.8-178.8169.90111.7E326 L327 A333 S334E326-K330 WeakPolarHBondContact O-CG 3.4Å; E326-K330 PolarHBondContact O-N 3.12Å; E326-K330 IonicContact OE1-NZ 3.88Å; E326-K330 PolarHBondContact OE1-NZ 2.9Å; L327-K330 CarbonylContact O-C 3.38Å; L327-K330 PolarHBondContact O-N 3.44Å; L327-K330 VanDerWaalsContact O-N 3.12Å; K330-A333 PolarHBondContact O-N 3.44Å; K330-S334 WeakPolarHBondContact O-CB 3.44Å; K330-S334 PolarHBondContact O-N 2.96Å
331Q41.7Very low53.2Low21 Ų2193.9 Ų93.910%0.09847%0.473CS..Hα-helixtrans-64.7-42.8177.7-166.6-169.3-28.200111T108 D109 L327 V328 S334 Q335T108-Q331 PolarHBondContact OG1-OE1 2.94Å; T108-Q331 VanDerWaalsContact OG1-OE1 3.05Å; D109-Q331 HydrophobicContact CB-CG 4.4Å; L327-Q331 WeakPolarHBondContact O-CB 3.29Å; L327-Q331 PolarHBondContact O-N 3.43Å; V328-Q331 PolarHBondContact O-N 3.3Å; Q331-S334 PolarHBondContact O-N 3.45Å; Q331-Q335 WeakPolarHBondContact O-CB 3.34Å; Q331-Q335 WeakPolarHBondContact O-CG 3.24Å; Q331-Q335 PolarHBondContact O-N 3.15Å
332Q50.4Low54.8Low80 Ų8091.2 Ų91.237%0.37446%0.463SS..Hα-helixtrans-61.7-44.3174.2-75.2172.72.500111.4V328 R329 S334 Q335 D336V328-Q332 WeakPolarHBondContact O-CB 3.3Å; V328-Q332 WeakPolarHBondContact O-CG 3.21Å; V328-Q332 PolarHBondContact O-N 3.4Å; R329-Q332 PolarHBondContact O-N 2.82Å; Q332-S334 VanDerWaalsContact C-N 3.33Å; Q332-S334 PolarHBondContact O-N 3.25Å; Q332-Q335 PolarHBondContact O-N 2.96Å; Q332-D336 PolarHBondContact O-N 3.16Å; Q332-D336 VanDerWaalsContact O-N 3.14Å
333A51.9Low55.9Low70 Ų7085.5 Ų85.558%0.57944%0.438SS*.Hα-helixtrans-64.3-34.7175.700000113.2R329 K330R329-A333 PolarHBondContact O-N 3.39Å; K330-A333 PolarHBondContact O-N 3.44Å
334S40.3Very low57.4Low71 Ų7180.6 Ų80.650%0.49742%0.417SS..Hα-helixtrans-77.1-34.3178179.80000112.9K330 Q331 Q332 G337K330-S334 WeakPolarHBondContact O-CB 3.44Å; K330-S334 PolarHBondContact O-N 2.96Å; Q331-S334 PolarHBondContact O-N 3.45Å; Q332-S334 VanDerWaalsContact C-N 3.33Å; Q332-S334 PolarHBondContact O-N 3.25Å; S334-G337 WeakPolarHBondContact O-CA 3.36Å; S334-G337 PolarHBondContact O-N 3.19Å; S334-G337 VanDerWaalsContact O-N 3.08Å
335Q37.5Very low59.5Low109 Ų10979.2 Ų79.251%0.50941%0.409SS..Hα-helixtrans-74.3-29.2176.9-74-167.4-1.600113.2Q331 Q332 G337Q331-Q335 WeakPolarHBondContact O-CB 3.34Å; Q331-Q335 WeakPolarHBondContact O-CG 3.24Å; Q331-Q335 PolarHBondContact O-N 3.15Å; Q332-Q335 PolarHBondContact O-N 2.96Å; Q335-G337 PolarHBondContact O-N 3.3Å
336D38.7Very low60.8Low131 Ų13173.7 Ų73.770%0.70138%0.379SS*.THydrogen-bonded Turntrans-72.7-5.2167.2-80.9-33000113Q332Q332-D336 PolarHBondContact O-N 3.16Å; Q332-D336 VanDerWaalsContact O-N 3.14Å
337G40.2Very low61.9Low48 Ų4870.3 Ų70.350%0.49536%0.364SS..THydrogen-bonded Turntrans-11117.3-170.900000117.1S334 Q335 P339S334-G337 WeakPolarHBondContact O-CA 3.36Å; S334-G337 PolarHBondContact O-N 3.19Å; S334-G337 VanDerWaalsContact O-N 3.08Å; Q335-G337 PolarHBondContact O-N 3.3Å; G337-P339 VanDerWaalsContact O-N 3.17Å
338K45.3Very low63.6Low173 Ų17370.4 Ų70.475%0.75237%0.366SS*.SBendtrans-55.2126161.3-83.6-171.7179.5-174.50106.9R340K338-R340 PolarHBondContact O-N 3.5Å
339P52.5Low64.9Low98 Ų9870.5 Ų70.564%0.63636%0.363SS*.  trans-54.3111.8-173.6-11.412.9000108.1G337 Q341G337-P339 VanDerWaalsContact O-N 3.17Å; P339-Q341 VanDerWaalsContact CB-O 3.25Å; P339-Q341 WeakPolarHBondContact CB-O 3.45Å; P339-Q341 PolarHBondContact O-N 2.77Å
340R60Low65.6Low185 Ų18567.2 Ų67.270%0.69837%0.365SS*.SBendtrans-66.1-2.3173.7-75.2-178.4165.1168.9-1.4111K338 C421 S422K338-R340 PolarHBondContact O-N 3.5Å; R340-C421 CarbonylContact O-C 3.47Å; R340-C421 WeakPolarHBondContact O-CA 3.37Å; R340-S422 PolarHBondContact O-N 3.37Å
341Q79Confident66.8Low101 Ų10162.8 Ų62.847%0.47235%0.347SS..SBendtrans-150.1142.9-177.356.6-171.920.900112P339 F420 V450P339-Q341 VanDerWaalsContact CB-O 3.25Å; P339-Q341 WeakPolarHBondContact CB-O 3.45Å; P339-Q341 PolarHBondContact O-N 2.77Å; Q341-F420 CarbonylContact C-O 3.46Å; Q341-F420 WeakPolarHBondContact CA-O 3.2Å; Q341-V450 HydrophobicContact CB-CG1 4.28Å; Q341-V450 HydrophobicContact CB-CG2 3.6Å; Q341-V450 HydrophobicContact CG-CG2 4.48Å
342G86.7Confident68.8Low16 Ų1666.5 Ų66.517%0.16537%0.373CS..EExtended strand (participates in β ladder)trans169-168.3179.400000112.4F420G342-F420 PolarHBondContact N-O 3.41Å; G342-F420 WeakPolarHBondContact O-CD1 3.38Å; G342-F420 PolarHBondContact O-N 3.18Å
343A89.1Confident70.2Confident8 Ų867.5 Ų67.57%0.06638%0.378CS..EExtended strand (participates in β ladder)trans-139153.3175.500000112.8I368 P369 L417 V418 V419 L454A343-I368 HydrophobicContact CB-CD1 4Å; A343-I368 HydrophobicContact CB-CG1 4.11Å; A343-I368 HydrophobicContact CB-CG2 4.05Å; A343-P369 WeakPolarHBondContact O-CD 3.28Å; A343-L417 HydrophobicContact CB-CD1 4.27Å; A343-V418 CarbonylContact C-O 3.48Å; A343-V418 WeakPolarHBondContact CA-O 3.39Å; A343-V419 HydrophobicContact CB-CG2 4.24Å; A343-L454 HydrophobicContact CB-CD1 3.52Å
344L90.5Very high71.6Confident14 Ų1470.5 Ų70.57%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-133135.7175.7-75.9162.6000109.3F346 P369 L405 Y409 V418 F420L344-F346 HydrophobicContact CB-CD2 4.5Å; L344-F346 HydrophobicContact CB-CE2 3.67Å; L344-F346 HydrophobicContact CB-CZ 4.09Å; L344-F346 HydrophobicContact CD1-CZ 4.38Å; L344-P369 HydrophobicContact CD2-CB 4.46Å; L344-P369 HydrophobicContact CD2-CG 3.9Å; L344-L405 HydrophobicContact CD1-CD1 4.14Å; L344-L405 HydrophobicContact CD1-CD2 4.29Å; L344-L405 HydrophobicContact CD2-CD1 4.13Å; L344-Y409 HydrophobicContact CD1-CD2 4.43Å; L344-Y409 HydrophobicContact CD1-CE2 3.55Å; L344-V418 PolarHBondContact N-O 3.38Å; L344-V418 PolarHBondContact O-N 2.98Å; L344-F420 HydrophobicContact CD1-CE1 4.12Å; L344-F420 HydrophobicContact CG-CE1 4.1Å
345Y91Very high73.8Confident6 Ų668.3 Ų68.32%0.02437%0.368CS..EExtended strand (participates in β ladder)trans-112126.1177.7-164.3-105.2000110.9V347 M359 T363 P369 A370 T371 P415 L417 V434Y345-V347 HydrophobicContact CD1-CG1 3.63Å; Y345-V347 HydrophobicContact CE1-CG1 3.45Å; Y345-V347 VanDerWaalsContact CE1-CG1 3.45Å; Y345-M359 HydrophobicContact CE1-CB 4.15Å; Y345-M359 HydrophobicContact CE1-CE 3.87Å; Y345-M359 WeakPolarHBondContact OH-CE 3.42Å; Y345-T363 HydrophobicContact CD1-CG2 3.33Å; Y345-T363 HydrophobicContact CD2-CG2 4.09Å; Y345-T363 HydrophobicContact CE1-CG2 3.97Å; Y345-T363 HydrophobicContact CG-CG2 3.39Å; Y345-P369 PolarHBondContact N-O 3.14Å; Y345-A370 CarbonylContact O-C 3.45Å; Y345-A370 VanDerWaalsContact O-CA 3.3Å; Y345-A370 WeakPolarHBondContact O-CA 3.43Å; Y345-T371 PolarHBondContact O-N 3.08Å; Y345-P415 HydrophobicContact CE1-CB 4.41Å; Y345-P415 WeakPolarHBondContact OH-CB 3.43Å; Y345-L417 HydrophobicContact CD2-CB 3.95Å; Y345-L417 HydrophobicContact CD2-CD1 3.9Å; Y345-L417 HydrophobicContact CE2-CB 4.23Å; Y345-V434 HydrophobicContact CD2-CG2 4.16Å; Y345-V434 HydrophobicContact CE2-CG2 3.76Å
346F90.6Very high76Confident0 Ų063.3 Ų63.30%035%0.345CS..EExtended strand (participates in β ladder)trans-105.7126.1-173.6-66-96.1000111L344 T371 L405 F406 Y409 I411 V414 P415 A416 V418L344-F346 HydrophobicContact CB-CD2 4.5Å; L344-F346 HydrophobicContact CB-CE2 3.67Å; L344-F346 HydrophobicContact CB-CZ 4.09Å; L344-F346 HydrophobicContact CD1-CZ 4.38Å; F346-T371 WeakPolarHBondContact CA-O 3.22Å; F346-T371 HydrophobicContact CD1-CG2 4.38Å; F346-T371 HydrophobicContact CE1-CG2 4.26Å; F346-L405 HydrophobicContact CE1-CB 3.69Å; F346-L405 HydrophobicContact CZ-CB 3.97Å; F346-F406 HydrophobicContact CB-CE1 3.89Å; F346-F406 HydrophobicContact CB-CZ 4.02Å; F346-F406 AromaticContact CD1-CD1 3.83Å; F346-F406 HydrophobicContact CD1-CD1 3.83Å; F346-F406 AromaticContact CD1-CD2 3.95Å; F346-F406 HydrophobicContact CD1-CD2 3.95Å; F346-F406 AromaticContact CD1-CE1 3.62Å; F346-F406 HydrophobicContact CD1-CE1 3.62Å; F346-F406 AromaticContact CD1-CE2 3.75Å; F346-F406 HydrophobicContact CD1-CE2 3.75Å; F346-F406 AromaticContact CD1-CG 3.98Å; F346-F406 HydrophobicContact CD1-CG 3.98Å; F346-F406 AromaticContact CD1-CZ 3.57Å; F346-F406 HydrophobicContact CD1-CZ 3.57Å; F346-F406 HydrophobicContact CE1-CD2 4.22Å; F346-F406 HydrophobicContact CE1-CE2 4.35Å; F346-F406 HydrophobicContact CE1-CG 4.31Å; F346-F406 HydrophobicContact CG-CE1 4.22Å; F346-F406 HydrophobicContact CG-CZ 4.29Å; F346-Y409 HydrophobicContact CE2-CD2 4.31Å; F346-Y409 AromaticContact CZ-CD2 3.71Å; F346-Y409 HydrophobicContact CZ-CD2 3.71Å; F346-Y409 HydrophobicContact CZ-CE2 4.35Å; F346-I411 HydrophobicContact CB-CG2 3.94Å; F346-I411 HydrophobicContact CD1-CB 4.38Å; F346-I411 HydrophobicContact CD1-CG1 4.1Å; F346-I411 HydrophobicContact CD1-CG2 4.35Å; F346-I411 HydrophobicContact CD2-CD1 4.47Å; F346-I411 HydrophobicContact CD2-CG1 4.03Å; F346-I411 HydrophobicContact CE1-CG1 4.22Å; F346-I411 HydrophobicContact CE2-CG1 4.16Å; F346-I411 HydrophobicContact CG-CB 4.44Å; F346-I411 HydrophobicContact CG-CG1 4.01Å; F346-I411 HydrophobicContact CG-CG2 4.09Å; F346-I411 HydrophobicContact CZ-CG1 4.26Å; F346-V414 HydrophobicContact CB-CG1 3.96Å; F346-P415 WeakPolarHBondContact O-CA 3.13Å; F346-A416 HydrophobicContact CB-CB 4.37Å; F346-A416 PolarHBondContact N-O 3.19Å; F346-A416 PolarHBondContact O-N 2.79Å; F346-V418 HydrophobicContact CD2-CG2 3.85Å; F346-V418 HydrophobicContact CE2-CB 3.89Å; F346-V418 HydrophobicContact CE2-CG2 3.37Å; F346-V418 HydrophobicContact CZ-CG2 4.34Å
347V89.3Confident78.3Confident0 Ų059.2 Ų59.20%032%0.321CS..EExtended strand (participates in β ladder)trans-135.1169.9-178-70.70000111.6Y345 I351 L356 M359 A370 T371 L372 R373Y345-V347 HydrophobicContact CD1-CG1 3.63Å; Y345-V347 HydrophobicContact CE1-CG1 3.45Å; Y345-V347 VanDerWaalsContact CE1-CG1 3.45Å; V347-I351 HydrophobicContact CB-CD1 4.45Å; V347-I351 HydrophobicContact CG1-CD1 4.48Å; V347-L356 HydrophobicContact CB-CD1 3.79Å; V347-L356 HydrophobicContact CG1-CD1 4.14Å; V347-L356 HydrophobicContact CG2-CD1 4Å; V347-M359 HydrophobicContact CG1-CE 4.02Å; V347-A370 HydrophobicContact CG2-CB 4.46Å; V347-T371 PolarHBondContact N-O 3.21Å; V347-L372 HydrophobicContact CB-CD2 4.44Å; V347-L372 HydrophobicContact CG2-CD2 3.77Å; V347-L372 HydrophobicContact CG2-CG 3.94Å; V347-L372 WeakPolarHBondContact O-CA 3.37Å; V347-R373 PolarHBondContact O-N 2.69Å
348S85.6Confident80.4Confident20 Ų2064.9 Ų64.914%0.1433%0.327CS..  trans-145.8152178.4170.90000110S350 I351 V414S348-S350 WeakPolarHBondContact CB-OG 3.27Å; S348-S350 PolarHBondContact O-N 3.36Å; S348-S350 VanDerWaalsContact O-N 3.16Å; S348-S350 PolarHBondContact OG-N 2.99Å; S348-S350 VanDerWaalsContact OG-N 3.13Å; S348-S350 PolarHBondContact OG-OG 2.92Å; S348-I351 WeakPolarHBondContact O-CB 3.37Å; S348-I351 WeakPolarHBondContact O-CG1 3.09Å; S348-I351 PolarHBondContact O-N 3.34Å; S348-I351 VanDerWaalsContact O-N 3.12Å; S348-V414 VanDerWaalsContact CB-CG2 3.47Å
349F80.3Confident82.4Confident45 Ų4558 Ų5820%0.19730%0.298CS..THydrogen-bonded Turntrans-66.1-7.1171-67.5-71.7000114.2I351 L356 L372 V376 T383 A386 V387 L390F349-I351 PolarHBondContact O-N 2.94Å; F349-L356 HydrophobicContact CD1-CD2 4.26Å; F349-L356 HydrophobicContact CE1-CD2 4.49Å; F349-L372 HydrophobicContact CD2-CD2 4.05Å; F349-L372 HydrophobicContact CE1-CD1 4.22Å; F349-L372 HydrophobicContact CE1-CD2 4.46Å; F349-L372 HydrophobicContact CE2-CD1 3.77Å; F349-L372 HydrophobicContact CE2-CD2 3.91Å; F349-L372 HydrophobicContact CE2-CG 4.29Å; F349-L372 HydrophobicContact CG-CD2 4.38Å; F349-L372 HydrophobicContact CZ-CD1 3.51Å; F349-L372 HydrophobicContact CZ-CD2 4.14Å; F349-L372 HydrophobicContact CZ-CG 4.41Å; F349-V376 HydrophobicContact CB-CG2 3.81Å; F349-V376 HydrophobicContact CD1-CG2 3.67Å; F349-V376 HydrophobicContact CD2-CG2 3.62Å; F349-V376 HydrophobicContact CE1-CG2 4.09Å; F349-V376 HydrophobicContact CE2-CG2 4.04Å; F349-V376 HydrophobicContact CG-CG2 3.41Å; F349-V376 VanDerWaalsContact CG-CG2 3.41Å; F349-V376 HydrophobicContact CZ-CG2 4.23Å; F349-T383 HydrophobicContact CE2-CG2 3.64Å; F349-T383 HydrophobicContact CZ-CG2 4.02Å; F349-A386 HydrophobicContact CD1-CB 4.27Å; F349-A386 HydrophobicContact CE1-CB 3.73Å; F349-A386 HydrophobicContact CZ-CB 4.38Å; F349-V387 HydrophobicContact CE1-CG2 4.5Å; F349-V387 HydrophobicContact CZ-CG2 3.68Å; F349-L390 HydrophobicContact CE1-CD1 4.28Å
350S79.8Confident84Confident97 Ų9753.4 Ų53.468%0.67827%0.268SS*.THydrogen-bonded Turntrans-69.8-12169.1600000113.2S348S348-S350 WeakPolarHBondContact CB-OG 3.27Å; S348-S350 PolarHBondContact O-N 3.36Å; S348-S350 VanDerWaalsContact O-N 3.16Å; S348-S350 PolarHBondContact OG-N 2.99Å; S348-S350 VanDerWaalsContact OG-N 3.13Å; S348-S350 PolarHBondContact OG-OG 2.92Å
351I82.8Confident85.2Confident26 Ų2646.2 Ų46.213%0.13325%0.252CS..SBendtrans-84.1133.5173.4-59.1171.4000107.9V347 S348 F349 L356 M359V347-I351 HydrophobicContact CB-CD1 4.45Å; V347-I351 HydrophobicContact CG1-CD1 4.48Å; S348-I351 WeakPolarHBondContact O-CB 3.37Å; S348-I351 WeakPolarHBondContact O-CG1 3.09Å; S348-I351 PolarHBondContact O-N 3.34Å; S348-I351 VanDerWaalsContact O-N 3.12Å; F349-I351 PolarHBondContact O-N 2.94Å; I351-L356 HydrophobicContact CG2-CB 4.38Å; I351-M359 HydrophobicContact CD1-CE 3.91Å; I351-M359 HydrophobicContact CD1-SD 4.2Å; I351-M359 HydrophobicContact CG2-SD 4.1Å
352P83.6Confident85.5Confident98 Ų9843.4 Ų43.464%0.63624%0.239SC*.  trans-53143175.6-25.433.8000111.9E354 G355 L356P352-E354 VanDerWaalsContact C-N 3.28Å; P352-E354 PolarHBondContact O-N 3.35Å; P352-G355 WeakPolarHBondContact O-CA 3.5Å; P352-G355 PolarHBondContact O-N 2.92Å; P352-L356 PolarHBondContact O-N 2.84Å
353E79.2Confident85.5Confident102 Ų10242.8 Ų42.848%0.47723%0.231SC..Hα-helixtrans-52-43.8-173.9-171.6-179.4162.800113.1G355 L356 K357E353-G355 VanDerWaalsContact C-N 3.31Å; E353-G355 PolarHBondContact O-N 2.81Å; E353-L356 PolarHBondContact O-N 2.71Å; E353-K357 HydrophobicContact CG-CD 4.3Å; E353-K357 WeakPolarHBondContact O-CB 3.14Å; E353-K357 WeakPolarHBondContact O-CG 3.4Å; E353-K357 PolarHBondContact O-N 3.21Å; E353-K357 WeakPolarHBondContact OE1-CE 3.35Å; E353-K357 IonicContact OE1-NZ 3.62Å; E353-K357 PolarHBondContact OE1-NZ 3.43Å
354E82.6Confident85.1Confident133 Ų13348 Ų4862%0.62125%0.25SC*.Hα-helixtrans-59.3-39.3175.7-68.3-57.4132.300113.3P352 R358P352-E354 VanDerWaalsContact C-N 3.28Å; P352-E354 PolarHBondContact O-N 3.35Å; E354-R358 PolarHBondContact O-N 2.85Å
355G84.6Confident84.8Confident25 Ų2554.7 Ų54.726%0.25828%0.28SS..Hα-helixtrans-68.9-45.6175.300000111P352 E353 R358 M359P352-G355 WeakPolarHBondContact O-CA 3.5Å; P352-G355 PolarHBondContact O-N 2.92Å; E353-G355 VanDerWaalsContact C-N 3.31Å; E353-G355 PolarHBondContact O-N 2.81Å; G355-R358 PolarHBondContact O-N 3.04Å; G355-M359 WeakPolarHBondContact O-CG 3.49Å; G355-M359 PolarHBondContact O-N 3.19Å; G355-M359 VanDerWaalsContact O-SD 3.34Å
356L85.5Confident84.5Confident4 Ų456.9 Ų56.92%0.02129%0.288CS..Hα-helixtrans-62.5-44.9-179.5-173.259.8000111.8V347 F349 I351 P352 E353 R358 M359 L360 L390V347-L356 HydrophobicContact CB-CD1 3.79Å; V347-L356 HydrophobicContact CG1-CD1 4.14Å; V347-L356 HydrophobicContact CG2-CD1 4Å; F349-L356 HydrophobicContact CD1-CD2 4.26Å; F349-L356 HydrophobicContact CE1-CD2 4.49Å; I351-L356 HydrophobicContact CG2-CB 4.38Å; P352-L356 PolarHBondContact O-N 2.84Å; E353-L356 PolarHBondContact O-N 2.71Å; L356-R358 PolarHBondContact O-N 3.48Å; L356-M359 PolarHBondContact O-N 3.31Å; L356-L360 HydrophobicContact CD1-CD1 4.31Å; L356-L360 HydrophobicContact CD1-CG 4.28Å; L356-L360 HydrophobicContact CG-CD1 4.04Å; L356-L360 HydrophobicContact CG-CG 4.42Å; L356-L360 WeakPolarHBondContact O-CB 3.18Å; L356-L360 VanDerWaalsContact O-CG 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.45Å; L356-L360 PolarHBondContact O-N 2.89Å; L356-L390 HydrophobicContact CD2-CD1 3.65Å; L356-L390 HydrophobicContact CD2-CD2 4.39Å; L356-L390 HydrophobicContact CG-CD1 4.27Å; L356-L390 HydrophobicContact CG-CD2 4.45Å
357K85.4Confident84Confident44 Ų4459.7 Ų59.719%0.19132%0.318CS..Hα-helixtrans-57.3-46.6175.9-76.5178.1178.9172.60112.1E353 M359 L360 G361 L390 D393 A395E353-K357 HydrophobicContact CG-CD 4.3Å; E353-K357 WeakPolarHBondContact O-CB 3.14Å; E353-K357 WeakPolarHBondContact O-CG 3.4Å; E353-K357 PolarHBondContact O-N 3.21Å; E353-K357 WeakPolarHBondContact OE1-CE 3.35Å; E353-K357 IonicContact OE1-NZ 3.62Å; E353-K357 PolarHBondContact OE1-NZ 3.43Å; K357-M359 VanDerWaalsContact C-N 3.34Å; K357-M359 PolarHBondContact O-N 2.99Å; K357-L360 PolarHBondContact O-N 3.49Å; K357-G361 PolarHBondContact O-N 3.28Å; K357-L390 HydrophobicContact CG-CD2 3.58Å; K357-D393 WeakPolarHBondContact CE-OD2 3.47Å; K357-D393 IonicContact NZ-OD2 2.74Å; K357-D393 PolarHBondContact NZ-OD2 3.01Å; K357-A395 HydrophobicContact CB-CB 4.16Å; K357-A395 HydrophobicContact CG-CB 4.04Å
358R85.2Confident83.9Confident168 Ų16860.1 Ų60.163%0.63432%0.32SS*.Hα-helixtrans-60.9-44.1178.1-171.1-178.4-57-177.31.7111.9E354 G355 L356 G361 E362E354-R358 PolarHBondContact O-N 2.85Å; G355-R358 PolarHBondContact O-N 3.04Å; L356-R358 PolarHBondContact O-N 3.48Å; R358-G361 PolarHBondContact O-N 3.11Å; R358-E362 PolarHBondContact O-N 3.46Å; R358-E362 VanDerWaalsContact O-N 3.11Å
359M86.8Confident83.7Confident29 Ų2961.4 Ų61.414%0.14333%0.328CS..Hα-helixtrans-68.3-42.3-178.3-66.3161.27400111.7Y345 V347 I351 G355 L356 K357 E362 T363 P415Y345-M359 HydrophobicContact CE1-CB 4.15Å; Y345-M359 HydrophobicContact CE1-CE 3.87Å; Y345-M359 WeakPolarHBondContact OH-CE 3.42Å; V347-M359 HydrophobicContact CG1-CE 4.02Å; I351-M359 HydrophobicContact CD1-CE 3.91Å; I351-M359 HydrophobicContact CD1-SD 4.2Å; I351-M359 HydrophobicContact CG2-SD 4.1Å; G355-M359 WeakPolarHBondContact O-CG 3.49Å; G355-M359 PolarHBondContact O-N 3.19Å; G355-M359 VanDerWaalsContact O-SD 3.34Å; L356-M359 PolarHBondContact O-N 3.31Å; K357-M359 VanDerWaalsContact C-N 3.34Å; K357-M359 PolarHBondContact O-N 2.99Å; M359-E362 PolarHBondContact O-N 2.99Å; M359-T363 WeakPolarHBondContact O-CG2 3.17Å; M359-T363 PolarHBondContact O-N 3.46Å; M359-T363 PolarHBondContact O-OG1 3.46Å; M359-P415 HydrophobicContact CE-CB 3.26Å; M359-P415 HydrophobicContact CE-CG 3.4Å; M359-P415 VanDerWaalsContact CE-CG 3.4Å
360L86.2Confident84Confident1 Ų159.4 Ų59.41%0.00532%0.32CS..Hα-helixtrans-63.4-41176-72177.7000112L356 K357 E362 T363 R364 A370 L390 A395 T396 V399L356-L360 HydrophobicContact CD1-CD1 4.31Å; L356-L360 HydrophobicContact CD1-CG 4.28Å; L356-L360 HydrophobicContact CG-CD1 4.04Å; L356-L360 HydrophobicContact CG-CG 4.42Å; L356-L360 WeakPolarHBondContact O-CB 3.18Å; L356-L360 VanDerWaalsContact O-CG 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.45Å; L356-L360 PolarHBondContact O-N 2.89Å; K357-L360 PolarHBondContact O-N 3.49Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 3.39Å; L360-T363 WeakPolarHBondContact CA-OG1 3.46Å; L360-T363 PolarHBondContact O-N 2.92Å; L360-T363 PolarHBondContact O-OG1 2.85Å; L360-R364 PolarHBondContact O-N 3.37Å; L360-A370 HydrophobicContact CD2-CB 3.33Å; L360-L390 HydrophobicContact CD1-CB 4.34Å; L360-L390 HydrophobicContact CD1-CD1 3.98Å; L360-L390 HydrophobicContact CD1-CD2 4.22Å; L360-L390 HydrophobicContact CD1-CG 4.41Å; L360-A395 CarbonylContact C-O 3.52Å; L360-A395 WeakPolarHBondContact CB-O 3.28Å; L360-T396 HydrophobicContact CD1-CG2 4.13Å; L360-V399 HydrophobicContact CD1-CG2 4.34Å; L360-V399 HydrophobicContact CD2-CG2 4.27Å
361G84.7Confident84.1Confident34 Ų3454.8 Ų54.835%0.35129%0.287SS..Hα-helixtrans-60.9-39.9174.200000113K357 R358 R364 H365 A395K357-G361 PolarHBondContact O-N 3.28Å; R358-G361 PolarHBondContact O-N 3.11Å; G361-R364 PolarHBondContact O-N 2.92Å; G361-H365 PolarHBondContact O-N 2.89Å; G361-A395 WeakPolarHBondContact CA-O 3.2Å; G361-A395 PolarHBondContact N-O 3.5Å; G361-A395 VanDerWaalsContact N-O 3.12Å
362E86.1Confident84Confident42 Ų4253.6 Ų53.620%0.19628%0.281CS..Hα-helixtrans-65.6-44173.3-78.5-170.6-176.700112R358 M359 L360 R364 H365 Y366 R433 V434R358-E362 PolarHBondContact O-N 3.46Å; R358-E362 VanDerWaalsContact O-N 3.11Å; M359-E362 PolarHBondContact O-N 2.99Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 3.39Å; E362-R364 VanDerWaalsContact C-N 3.25Å; E362-R364 PolarHBondContact O-N 3.47Å; E362-H365 WeakPolarHBondContact O-CB 3.32Å; E362-H365 PolarHBondContact O-N 3.4Å; E362-H365 VanDerWaalsContact O-N 3.13Å; E362-Y366 VanDerWaalsContact O-CD2 3.24Å; E362-Y366 WeakPolarHBondContact O-CD2 3.43Å; E362-Y366 PolarHBondContact O-N 2.73Å; E362-R433 WeakPolarHBondContact OE1-CD 3.35Å; E362-R433 WeakPolarHBondContact OE1-CG 3.28Å; E362-R433 IonicContact OE1-NE 3.99Å; E362-R433 WeakPolarHBondContact OE2-CA 3.22Å; E362-R433 WeakPolarHBondContact OE2-CB 3.41Å; E362-V434 HydrophobicContact CB-CB 4.18Å; E362-V434 HydrophobicContact CB-CG2 3.85Å; E362-V434 PolarHBondContact OE2-N 2.93Å
363T85.8Confident83.3Confident2 Ų255 Ų551%0.01227%0.274CS..Hα-helixtrans-61.7-36.7178.954.50000112.5Y345 M359 L360 H365 Y366 G367 I368 V434Y345-T363 HydrophobicContact CD1-CG2 3.33Å; Y345-T363 HydrophobicContact CD2-CG2 4.09Å; Y345-T363 HydrophobicContact CE1-CG2 3.97Å; Y345-T363 HydrophobicContact CG-CG2 3.39Å; M359-T363 WeakPolarHBondContact O-CG2 3.17Å; M359-T363 PolarHBondContact O-N 3.46Å; M359-T363 PolarHBondContact O-OG1 3.46Å; L360-T363 WeakPolarHBondContact CA-OG1 3.46Å; L360-T363 PolarHBondContact O-N 2.92Å; L360-T363 PolarHBondContact O-OG1 2.85Å; T363-H365 VanDerWaalsContact C-N 3.34Å; T363-H365 PolarHBondContact O-N 3.34Å; T363-Y366 PolarHBondContact O-N 3.34Å; T363-G367 PolarHBondContact O-N 3.14Å; T363-G367 VanDerWaalsContact O-N 3.15Å; T363-I368 WeakPolarHBondContact CB-O 3.39Å; T363-I368 PolarHBondContact O-N 2.74Å; T363-V434 HydrophobicContact CG2-CG2 3.89Å
364R82.5Confident82.5Confident119 Ų11952 Ų5245%0.44927%0.27SS..Hα-helixtrans-61.6-41.1174.9-170.5-176.7-172.3-166.1-1.6111.9L360 G361 E362 Y366 G367 G394 D397L360-R364 PolarHBondContact O-N 3.37Å; G361-R364 PolarHBondContact O-N 2.92Å; E362-R364 VanDerWaalsContact C-N 3.25Å; E362-R364 PolarHBondContact O-N 3.47Å; R364-Y366 PolarHBondContact O-N 3.11Å; R364-G367 PolarHBondContact O-N 3.26Å; R364-G367 VanDerWaalsContact O-N 3.15Å; R364-G394 PolarHBondContact NH1-O 2.93Å; R364-G394 VanDerWaalsContact NH1-O 3.08Å; R364-D397 IonicContact CZ-OD1 3.99Å; R364-D397 VanDerWaalsContact CZ-OD1 3.26Å; R364-D397 IonicContact CZ-OD2 3.09Å; R364-D397 IonicContact NE-OD1 2.73Å; R364-D397 PolarHBondContact NE-OD1 3.26Å; R364-D397 IonicContact NE-OD2 2.73Å; R364-D397 PolarHBondContact NE-OD2 2.84Å; R364-D397 IonicContact NH2-OD1 3.26Å; R364-D397 PolarHBondContact NH2-OD1 2.9Å; R364-D397 IonicContact NH2-OD2 2.69Å
365H83.3Confident81.5Confident153 Ų15349.5 Ų49.571%0.70826%0.259SS*.Hα-helixtrans-59.2-33.6178.3-174.969.9000112.9G361 E362 T363G361-H365 PolarHBondContact O-N 2.89Å; E362-H365 WeakPolarHBondContact O-CB 3.32Å; E362-H365 PolarHBondContact O-N 3.4Å; E362-H365 VanDerWaalsContact O-N 3.13Å; T363-H365 VanDerWaalsContact C-N 3.34Å; T363-H365 PolarHBondContact O-N 3.34Å
366Y84.3Confident80.5Confident52 Ų5249.8 Ų49.820%0.20426%0.256CS..THydrogen-bonded Turntrans-97.43.5179.4-63.6-75.1000114.1E362 T363 R364 I368 V434 G435 L438 L455E362-Y366 VanDerWaalsContact O-CD2 3.24Å; E362-Y366 WeakPolarHBondContact O-CD2 3.43Å; E362-Y366 PolarHBondContact O-N 2.73Å; T363-Y366 PolarHBondContact O-N 3.34Å; R364-Y366 PolarHBondContact O-N 3.11Å; Y366-I368 PolarHBondContact O-N 3.34Å; Y366-V434 HydrophobicContact CD2-CB 4.05Å; Y366-V434 HydrophobicContact CD2-CG1 3.59Å; Y366-V434 HydrophobicContact CE2-CB 4.13Å; Y366-V434 HydrophobicContact CE2-CG1 4.08Å; Y366-V434 HydrophobicContact CG-CG1 4.32Å; Y366-G435 WeakPolarHBondContact OH-CA 3.37Å; Y366-L438 HydrophobicContact CD1-CD1 3.77Å; Y366-L438 HydrophobicContact CD2-CD1 4.34Å; Y366-L438 HydrophobicContact CE1-CD1 4.09Å; Y366-L438 HydrophobicContact CG-CD1 3.91Å; Y366-L455 HydrophobicContact CE1-CD2 4.14Å
367G81.5Confident79.2Confident60 Ų6056.4 Ų56.462%0.61929%0.291SS*.THydrogen-bonded Turntrans65.424.8-17600000114T363 R364 P369T363-G367 PolarHBondContact O-N 3.14Å; T363-G367 VanDerWaalsContact O-N 3.15Å; R364-G367 PolarHBondContact O-N 3.26Å; R364-G367 VanDerWaalsContact O-N 3.15Å; G367-P369 WeakPolarHBondContact O-CD 3.11Å
368I85.4Confident77.8Confident8 Ų861 Ų614%0.04132%0.318CS..PPolyproline II helixtrans-92.9120.3-176.2-60.1177.1000109.4A343 T363 Y366 A370 L417 V434 L438 L454A343-I368 HydrophobicContact CB-CD1 4Å; A343-I368 HydrophobicContact CB-CG1 4.11Å; A343-I368 HydrophobicContact CB-CG2 4.05Å; T363-I368 WeakPolarHBondContact CB-O 3.39Å; T363-I368 PolarHBondContact O-N 2.74Å; Y366-I368 PolarHBondContact O-N 3.34Å; I368-A370 PolarHBondContact O-N 3.34Å; I368-L417 HydrophobicContact CD1-CD1 4.07Å; I368-L417 HydrophobicContact CG2-CD1 4.32Å; I368-V434 HydrophobicContact CD1-CG1 3.82Å; I368-L438 HydrophobicContact CD1-CD1 4.12Å; I368-L438 HydrophobicContact CD1-CD2 4.35Å; I368-L454 HydrophobicContact CD1-CD1 4.43Å; I368-L454 HydrophobicContact CG1-CD2 4.4Å
369P82.5Confident76.3Confident48 Ų4856.1 Ų56.131%0.31231%0.305SS..PPolyproline II helixtrans-65.5127.8175.820.5-28.1000111.8A343 L344 Y345 G367 Q400A343-P369 WeakPolarHBondContact O-CD 3.28Å; L344-P369 HydrophobicContact CD2-CB 4.46Å; L344-P369 HydrophobicContact CD2-CG 3.9Å; Y345-P369 PolarHBondContact N-O 3.14Å; G367-P369 WeakPolarHBondContact O-CD 3.11Å; P369-Q400 HydrophobicContact CB-CG 4.48Å
370A85.3Confident75Confident3 Ų358.3 Ų58.33%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-84.6138.3172.800000111.1Y345 V347 L360 I368 V399 Q400Y345-A370 CarbonylContact O-C 3.45Å; Y345-A370 VanDerWaalsContact O-CA 3.3Å; Y345-A370 WeakPolarHBondContact O-CA 3.43Å; V347-A370 HydrophobicContact CG2-CB 4.46Å; L360-A370 HydrophobicContact CD2-CB 3.33Å; I368-A370 PolarHBondContact O-N 3.34Å; A370-V399 HydrophobicContact CB-CG1 4.1Å; A370-V399 VanDerWaalsContact O-CG1 3.29Å; A370-V399 WeakPolarHBondContact O-CG1 3.06Å; A370-Q400 PolarHBondContact O-N 3.04Å
371T83.4Confident73.7Confident0 Ų064.9 Ų64.90%035%0.345CS..EExtended strand (participates in β ladder)trans-121.1122.7-178.6-47.70000110Y345 F346 V347 Q400 D402 L405 F406Y345-T371 PolarHBondContact O-N 3.08Å; F346-T371 WeakPolarHBondContact CA-O 3.22Å; F346-T371 HydrophobicContact CD1-CG2 4.38Å; F346-T371 HydrophobicContact CE1-CG2 4.26Å; V347-T371 PolarHBondContact N-O 3.21Å; T371-Q400 CarbonylContact C-O 3.56Å; T371-Q400 WeakPolarHBondContact CA-O 3.42Å; T371-Q400 HydrophobicContact CG2-CB 4.45Å; T371-D402 HydrophobicContact CG2-CB 4.39Å; T371-L405 HydrophobicContact CG2-CB 4.35Å; T371-L405 HydrophobicContact CG2-CD1 4.03Å; T371-F406 HydrophobicContact CG2-CD2 4.32Å; T371-F406 HydrophobicContact CG2-CE2 3.78Å; T371-F406 WeakPolarHBondContact O-CZ 3.48Å
372L80Confident73.1Confident1 Ų165.4 Ų65.41%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-96.4135.7-178.3-88.4163000112.6V347 F349 V387 V399 Q400 F406V347-L372 HydrophobicContact CB-CD2 4.44Å; V347-L372 HydrophobicContact CG2-CD2 3.77Å; V347-L372 HydrophobicContact CG2-CG 3.94Å; V347-L372 WeakPolarHBondContact O-CA 3.37Å; F349-L372 HydrophobicContact CD2-CD2 4.05Å; F349-L372 HydrophobicContact CE1-CD1 4.22Å; F349-L372 HydrophobicContact CE1-CD2 4.46Å; F349-L372 HydrophobicContact CE2-CD1 3.77Å; F349-L372 HydrophobicContact CE2-CD2 3.91Å; F349-L372 HydrophobicContact CE2-CG 4.29Å; F349-L372 HydrophobicContact CG-CD2 4.38Å; F349-L372 HydrophobicContact CZ-CD1 3.51Å; F349-L372 HydrophobicContact CZ-CD2 4.14Å; F349-L372 HydrophobicContact CZ-CG 4.41Å; L372-V387 HydrophobicContact CD1-CG2 4.14Å; L372-V399 HydrophobicContact CB-CG1 4.04Å; L372-V399 HydrophobicContact CD1-CB 3.83Å; L372-V399 HydrophobicContact CD1-CG1 3.37Å; L372-V399 HydrophobicContact CD1-CG2 4.17Å; L372-V399 HydrophobicContact CG-CB 4.48Å; L372-V399 HydrophobicContact CG-CG1 3.49Å; L372-V399 VanDerWaalsContact CG-CG1 3.49Å; L372-Q400 PolarHBondContact N-O 2.7Å; L372-F406 WeakPolarHBondContact O-CE2 3.44Å
373R68.9Low72.2Confident127 Ų12763.7 Ų63.748%0.47933%0.334SS..  trans-87.9114171.7-151.4176.7177.7-177.6-4.5111V347 F406 R412V347-R373 PolarHBondContact O-N 2.69Å; R373-F406 HydrophobicContact CB-CD1 4.06Å; R373-F406 HydrophobicContact CB-CD2 4.23Å; R373-F406 HydrophobicContact CB-CE1 3.54Å; R373-F406 HydrophobicContact CB-CE2 3.73Å; R373-F406 HydrophobicContact CB-CG 4.38Å; R373-F406 HydrophobicContact CB-CZ 3.36Å; R373-F406 HydrophobicContact CG-CD1 3.81Å; R373-F406 HydrophobicContact CG-CD2 4.06Å; R373-F406 HydrophobicContact CG-CE1 3.84Å; R373-F406 HydrophobicContact CG-CE2 4.08Å; R373-F406 HydrophobicContact CG-CG 3.93Å; R373-F406 HydrophobicContact CG-CZ 3.99Å; R373-F406 VanDerWaalsContact N-CZ 3.28Å; R373-R412 PolarHBondContact NH1-O 3.34Å
374G61.8Low71.4Confident38 Ų3864.4 Ų64.439%0.39234%0.34SS..SBendtrans73.8-168164.100000115.1
375M62.7Low70.9Confident82 Ų8263.7 Ų63.740%0.40434%0.342SS..  trans-113141.3-173.6-64.3176.8-6200109.9N377 N378 L380 T383M375-N377 PolarHBondContact O-N 3.02Å; M375-N378 PolarHBondContact O-N 3.28Å; M375-L380 HydrophobicContact CG-CD2 4.42Å; M375-L380 HydrophobicContact SD-CD1 4.44Å; M375-L380 HydrophobicContact SD-CD2 3.58Å; M375-L380 VanDerWaalsContact SD-CD2 3.58Å; M375-L380 HydrophobicContact SD-CG 3.54Å; M375-L380 VanDerWaalsContact SD-CG 3.54Å; M375-T383 WeakPolarHBondContact CA-OG1 3.34Å; M375-T383 VanDerWaalsContact CB-OG1 3.28Å; M375-T383 WeakPolarHBondContact CB-OG1 3.22Å
376V62.8Low70.5Confident31 Ų3157.7 Ų57.719%0.18832%0.319CS..G310 helixtrans-56.3119167.7-179.80000108F349 N378 D379 T382 T383 A386F349-V376 HydrophobicContact CB-CG2 3.81Å; F349-V376 HydrophobicContact CD1-CG2 3.67Å; F349-V376 HydrophobicContact CD2-CG2 3.62Å; F349-V376 HydrophobicContact CE1-CG2 4.09Å; F349-V376 HydrophobicContact CE2-CG2 4.04Å; F349-V376 HydrophobicContact CG-CG2 3.41Å; F349-V376 VanDerWaalsContact CG-CG2 3.41Å; F349-V376 HydrophobicContact CZ-CG2 4.23Å; V376-N378 PolarHBondContact O-N 3.03Å; V376-D379 PolarHBondContact O-N 2.76Å; V376-T382 PolarHBondContact O-OG1 3.27Å; V376-T383 PolarHBondContact N-OG1 2.71Å; V376-A386 HydrophobicContact CG2-CB 4.17Å
377N59.3Low70Confident142 Ų14256.5 Ų56.576%0.75932%0.317SS*.G310 helixtrans52.128.5176.5-58.7-34.6000115.6M375 D379M375-N377 PolarHBondContact O-N 3.02Å; N377-D379 PolarHBondContact O-N 3.05Å; N377-D379 VanDerWaalsContact O-N 3.16Å
378N55Low69.5Low142 Ų14257.8 Ų57.876%0.75931%0.309SS*.G310 helixtrans56.719.6-171.1-65.1-37.5000114.6M375 V376M375-N378 PolarHBondContact O-N 3.28Å; V376-N378 PolarHBondContact O-N 3.03Å
379D55Low69Low65 Ų6559.3 Ų59.335%0.34832%0.32SS..  trans-114119.1-178.8172.855.4000110.5V376 N377 K381 T382 T383V376-D379 PolarHBondContact O-N 2.76Å; N377-D379 PolarHBondContact O-N 3.05Å; N377-D379 VanDerWaalsContact O-N 3.16Å; D379-K381 VanDerWaalsContact C-N 3.27Å; D379-K381 PolarHBondContact O-N 2.96Å; D379-T382 VanDerWaalsContact CB-OG1 3.32Å; D379-T382 WeakPolarHBondContact CB-OG1 3.24Å; D379-T382 PolarHBondContact O-OG1 3.21Å; D379-T382 VanDerWaalsContact O-OG1 3.08Å; D379-T382 VanDerWaalsContact OD2-CB 3.27Å; D379-T382 WeakPolarHBondContact OD2-CB 3.43Å; D379-T382 WeakPolarHBondContact OD2-CG2 3.48Å; D379-T382 PolarHBondContact OD2-N 3.14Å; D379-T382 PolarHBondContact OD2-OG1 3Å; D379-T383 WeakPolarHBondContact O-CB 3.48Å; D379-T383 PolarHBondContact O-N 3.02Å; D379-T383 VanDerWaalsContact O-N 3.11Å; D379-T383 PolarHBondContact O-OG1 3.19Å
380L58.3Low68.6Low75 Ų7557.2 Ų57.239%0.39331%0.306SS..Hα-helixtrans-64.1-34.3-178.9-85.2161.1000111.8M375 T383 A384M375-L380 HydrophobicContact CG-CD2 4.42Å; M375-L380 HydrophobicContact SD-CD1 4.44Å; M375-L380 HydrophobicContact SD-CD2 3.58Å; M375-L380 VanDerWaalsContact SD-CD2 3.58Å; M375-L380 HydrophobicContact SD-CG 3.54Å; M375-L380 VanDerWaalsContact SD-CG 3.54Å; L380-T383 PolarHBondContact O-N 3.12Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 2.8Å
381K59.8Low67.9Low138 Ų13859.9 Ų59.960%0.632%0.322SS*.Hα-helixtrans-69.4-50.8-176.4-175.1-176.5173.5-171.80111.3D379 T383 A384 E385D379-K381 VanDerWaalsContact C-N 3.27Å; D379-K381 PolarHBondContact O-N 2.96Å; K381-T383 VanDerWaalsContact C-N 3.28Å; K381-T383 PolarHBondContact O-N 3.05Å; K381-A384 WeakPolarHBondContact O-CB 3.37Å; K381-A384 PolarHBondContact O-N 3.39Å; K381-E385 WeakPolarHBondContact CE-OE1 3.3Å; K381-E385 WeakPolarHBondContact O-CG 3.23Å; K381-E385 PolarHBondContact O-N 2.93Å
382T71.7Confident67.4Low46 Ų4667.4 Ų67.428%0.28236%0.355SS..Hα-helixtrans-62.3-36.6175.148.30000111.8V376 D379 A386V376-T382 PolarHBondContact O-OG1 3.27Å; D379-T382 VanDerWaalsContact CB-OG1 3.32Å; D379-T382 WeakPolarHBondContact CB-OG1 3.24Å; D379-T382 PolarHBondContact O-OG1 3.21Å; D379-T382 VanDerWaalsContact O-OG1 3.08Å; D379-T382 VanDerWaalsContact OD2-CB 3.27Å; D379-T382 WeakPolarHBondContact OD2-CB 3.43Å; D379-T382 WeakPolarHBondContact OD2-CG2 3.48Å; D379-T382 PolarHBondContact OD2-N 3.14Å; D379-T382 PolarHBondContact OD2-OG1 3Å; T382-A386 VanDerWaalsContact O-CB 3.27Å; T382-A386 WeakPolarHBondContact O-CB 3.23Å; T382-A386 PolarHBondContact O-N 3.26Å
383T67.4Low66.9Low5 Ų572 Ų723%0.03138%0.38CS..Hα-helixtrans-62.4-47.2173-53.20000111.5F349 M375 V376 D379 L380 K381 A386 V387F349-T383 HydrophobicContact CE2-CG2 3.64Å; F349-T383 HydrophobicContact CZ-CG2 4.02Å; M375-T383 WeakPolarHBondContact CA-OG1 3.34Å; M375-T383 VanDerWaalsContact CB-OG1 3.28Å; M375-T383 WeakPolarHBondContact CB-OG1 3.22Å; V376-T383 PolarHBondContact N-OG1 2.71Å; D379-T383 WeakPolarHBondContact O-CB 3.48Å; D379-T383 PolarHBondContact O-N 3.02Å; D379-T383 VanDerWaalsContact O-N 3.11Å; D379-T383 PolarHBondContact O-OG1 3.19Å; L380-T383 PolarHBondContact O-N 3.12Å; K381-T383 VanDerWaalsContact C-N 3.28Å; K381-T383 PolarHBondContact O-N 3.05Å; T383-A386 PolarHBondContact O-N 3.19Å; T383-V387 WeakPolarHBondContact O-CG2 3.28Å; T383-V387 PolarHBondContact O-N 3.48Å
384A67.7Low66.8Low17 Ų1767.9 Ų67.914%0.1438%0.376CS..Hα-helixtrans-60.8-46178.400000112I127 L380 K381 A386 V387 L388I127-A384 HydrophobicContact CD1-CB 3.52Å; I127-A384 HydrophobicContact CG1-CB 3.53Å; L380-A384 WeakPolarHBondContact O-CB 3.45Å; L380-A384 PolarHBondContact O-N 2.8Å; K381-A384 WeakPolarHBondContact O-CB 3.37Å; K381-A384 PolarHBondContact O-N 3.39Å; A384-A386 VanDerWaalsContact C-N 3.35Å; A384-V387 PolarHBondContact O-N 3.29Å; A384-L388 VanDerWaalsContact O-CB 3.22Å; A384-L388 WeakPolarHBondContact O-CB 3.31Å; A384-L388 PolarHBondContact O-N 2.9Å
385E73.8Confident67Low105 Ų10566.7 Ų66.749%0.49136%0.363SS..Hα-helixtrans-62.2-41.6176.7-73171.5179.400111.5K381 L388 S389K381-E385 WeakPolarHBondContact CE-OE1 3.3Å; K381-E385 WeakPolarHBondContact O-CG 3.23Å; K381-E385 PolarHBondContact O-N 2.93Å; E385-L388 PolarHBondContact O-N 2.85Å; E385-S389 PolarHBondContact O-N 3.33Å; E385-S389 PolarHBondContact O-OG 3.3Å
386A74Confident67.2Low27 Ų2763.3 Ų63.322%0.22335%0.347CS..Hα-helixtrans-67.6-39.2176.200000113F349 V376 T382 T383 A384 S389 L390F349-A386 HydrophobicContact CD1-CB 4.27Å; F349-A386 HydrophobicContact CE1-CB 3.73Å; F349-A386 HydrophobicContact CZ-CB 4.38Å; V376-A386 HydrophobicContact CG2-CB 4.17Å; T382-A386 VanDerWaalsContact O-CB 3.27Å; T382-A386 WeakPolarHBondContact O-CB 3.23Å; T382-A386 PolarHBondContact O-N 3.26Å; T383-A386 PolarHBondContact O-N 3.19Å; A384-A386 VanDerWaalsContact C-N 3.35Å; A386-S389 PolarHBondContact O-OG 2.06Å; A386-L390 WeakPolarHBondContact O-CD1 3.45Å; A386-L390 WeakPolarHBondContact O-CG 3.46Å; A386-L390 PolarHBondContact O-N 2.55Å
387V73Confident67.2Low26 Ų2667.7 Ų67.716%0.15837%0.369CS..Hα-helixtrans-65.9-42.4172176.70000110.2F349 L372 T383 A384 S389 L390 V391F349-V387 HydrophobicContact CE1-CG2 4.5Å; F349-V387 HydrophobicContact CZ-CG2 3.68Å; L372-V387 HydrophobicContact CD1-CG2 4.14Å; T383-V387 WeakPolarHBondContact O-CG2 3.28Å; T383-V387 PolarHBondContact O-N 3.48Å; A384-V387 PolarHBondContact O-N 3.29Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 3.28Å; V387-L390 PolarHBondContact O-N 2.84Å; V387-V391 HydrophobicContact CG1-CG2 4.4Å; V387-V391 WeakPolarHBondContact O-CG2 3.43Å; V387-V391 PolarHBondContact O-N 3Å
388L72.4Confident67.2Low88 Ų8862.5 Ų62.546%0.46135%0.35SS..Hα-helixtrans-64.8-37.9-178.6-160.695000111.7A384 E385 V391 K392A384-L388 VanDerWaalsContact O-CB 3.22Å; A384-L388 WeakPolarHBondContact O-CB 3.31Å; A384-L388 PolarHBondContact O-N 2.9Å; E385-L388 PolarHBondContact O-N 2.85Å; L388-V391 PolarHBondContact O-N 3.2Å; L388-K392 HydrophobicContact CD2-CD 4.14Å; L388-K392 HydrophobicContact CG-CD 4.35Å; L388-K392 VanDerWaalsContact O-CB 3.31Å; L388-K392 WeakPolarHBondContact O-CB 3.35Å; L388-K392 VanDerWaalsContact O-CG 3.29Å; L388-K392 WeakPolarHBondContact O-CG 3.47Å; L388-K392 PolarHBondContact O-N 3.21Å
389S75.2Confident67.7Low39 Ų3956.8 Ų56.827%0.27332%0.319SS..Hα-helixtrans-65.1-42.1174.665.30000111.4E385 A386 V387 V391 K392 D393E385-S389 PolarHBondContact O-N 3.33Å; E385-S389 PolarHBondContact O-OG 3.3Å; A386-S389 PolarHBondContact O-OG 2.06Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 3.28Å; S389-V391 VanDerWaalsContact C-N 3.33Å; S389-V391 PolarHBondContact O-N 3.23Å; S389-K392 PolarHBondContact O-N 2.93Å; S389-D393 WeakPolarHBondContact O-CB 3.34Å; S389-D393 PolarHBondContact O-N 3.21Å
390L72.8Confident68.2Low4 Ų458 Ų582%0.02132%0.323CS..Hα-helixtrans-62.1-38.2176.3-66.9167.3000112.8F349 L356 K357 L360 A386 V387 A395F349-L390 HydrophobicContact CE1-CD1 4.28Å; L356-L390 HydrophobicContact CD2-CD1 3.65Å; L356-L390 HydrophobicContact CD2-CD2 4.39Å; L356-L390 HydrophobicContact CG-CD1 4.27Å; L356-L390 HydrophobicContact CG-CD2 4.45Å; K357-L390 HydrophobicContact CG-CD2 3.58Å; L360-L390 HydrophobicContact CD1-CB 4.34Å; L360-L390 HydrophobicContact CD1-CD1 3.98Å; L360-L390 HydrophobicContact CD1-CD2 4.22Å; L360-L390 HydrophobicContact CD1-CG 4.41Å; A386-L390 WeakPolarHBondContact O-CD1 3.45Å; A386-L390 WeakPolarHBondContact O-CG 3.46Å; A386-L390 PolarHBondContact O-N 2.55Å; V387-L390 PolarHBondContact O-N 2.84Å; L390-A395 WeakPolarHBondContact O-CB 3.21Å; L390-A395 PolarHBondContact O-N 2.78Å; L390-A395 VanDerWaalsContact O-N 3.15Å
391V71.9Confident68.5Low60 Ų6057.4 Ų57.436%0.36432%0.32SS..Hα-helixtrans-73.7-43.2176.7175.70000111.2V387 L388 S389 D393 G394 T396V387-V391 HydrophobicContact CG1-CG2 4.4Å; V387-V391 WeakPolarHBondContact O-CG2 3.43Å; V387-V391 PolarHBondContact O-N 3Å; L388-V391 PolarHBondContact O-N 3.2Å; S389-V391 VanDerWaalsContact C-N 3.33Å; S389-V391 PolarHBondContact O-N 3.23Å; V391-D393 VanDerWaalsContact C-N 3.31Å; V391-D393 PolarHBondContact O-N 3.26Å; V391-G394 PolarHBondContact O-N 3.25Å; V391-G394 VanDerWaalsContact O-N 3.08Å; V391-T396 HydrophobicContact CG2-CG2 4.03Å
392K71.4Confident68.7Low157 Ų15752.9 Ų52.968%0.68330%0.302SS*.Hα-helixtrans-63.1-36.3178.8-80.4179.9174.6-178.70112.9L388 S389 G394L388-K392 HydrophobicContact CD2-CD 4.14Å; L388-K392 HydrophobicContact CG-CD 4.35Å; L388-K392 VanDerWaalsContact O-CB 3.31Å; L388-K392 WeakPolarHBondContact O-CB 3.35Å; L388-K392 VanDerWaalsContact O-CG 3.29Å; L388-K392 WeakPolarHBondContact O-CG 3.47Å; L388-K392 PolarHBondContact O-N 3.21Å; S389-K392 PolarHBondContact O-N 2.93Å; K392-G394 PolarHBondContact O-N 2.82Å
393D69.9Low68.3Low99 Ų9954.7 Ų54.753%0.52932%0.315SS..THydrogen-bonded Turntrans-75.91.4177.5-68.4-7000112.8K357 S389 V391 A395K357-D393 WeakPolarHBondContact CE-OD2 3.47Å; K357-D393 IonicContact NZ-OD2 2.74Å; K357-D393 PolarHBondContact NZ-OD2 3.01Å; S389-D393 WeakPolarHBondContact O-CB 3.34Å; S389-D393 PolarHBondContact O-N 3.21Å; V391-D393 VanDerWaalsContact C-N 3.31Å; V391-D393 PolarHBondContact O-N 3.26Å; D393-A395 PolarHBondContact O-N 3.33Å
394G67Low68.3Low39 Ų3956 Ų5640%0.40232%0.323SS..THydrogen-bonded Turntrans7410.8177.800000114.5R364 V391 K392 T396R364-G394 PolarHBondContact NH1-O 2.93Å; R364-G394 VanDerWaalsContact NH1-O 3.08Å; V391-G394 PolarHBondContact O-N 3.25Å; V391-G394 VanDerWaalsContact O-N 3.08Å; K392-G394 PolarHBondContact O-N 2.82Å; G394-T396 VanDerWaalsContact C-N 3.27Å; G394-T396 PolarHBondContact O-N 2.85Å
395A65.9Low68.7Low13 Ų1356 Ų5611%0.10732%0.32CS..SBendtrans-70.6-22-178.100000112.9K357 L360 G361 L390 D393K357-A395 HydrophobicContact CB-CB 4.16Å; K357-A395 HydrophobicContact CG-CB 4.04Å; L360-A395 CarbonylContact C-O 3.52Å; L360-A395 WeakPolarHBondContact CB-O 3.28Å; G361-A395 WeakPolarHBondContact CA-O 3.2Å; G361-A395 PolarHBondContact N-O 3.5Å; G361-A395 VanDerWaalsContact N-O 3.12Å; L390-A395 WeakPolarHBondContact O-CB 3.21Å; L390-A395 PolarHBondContact O-N 2.78Å; L390-A395 VanDerWaalsContact O-N 3.15Å; D393-A395 PolarHBondContact O-N 3.33Å
396T67.4Low69Low12 Ų1251.3 Ų51.37%0.07430%0.298CS..  trans-157.6156.5176.3-171.90000111.9L360 V391 G394 G398 V399L360-T396 HydrophobicContact CD1-CG2 4.13Å; V391-T396 HydrophobicContact CG2-CG2 4.03Å; G394-T396 VanDerWaalsContact C-N 3.27Å; G394-T396 PolarHBondContact O-N 2.85Å; T396-G398 PolarHBondContact OG1-N 3.15Å; T396-G398 PolarHBondContact OG1-O 3.33Å; T396-V399 HydrophobicContact CG2-CG2 3.71Å
397D62.2Low69.2Low122 Ų12254.6 Ų54.665%0.65232%0.32SS*.SBendtrans-80-8.7170-62.3-50.8000112.5R364R364-D397 IonicContact CZ-OD1 3.99Å; R364-D397 VanDerWaalsContact CZ-OD1 3.26Å; R364-D397 IonicContact CZ-OD2 3.09Å; R364-D397 IonicContact NE-OD1 2.73Å; R364-D397 PolarHBondContact NE-OD1 3.26Å; R364-D397 IonicContact NE-OD2 2.73Å; R364-D397 PolarHBondContact NE-OD2 2.84Å; R364-D397 IonicContact NH2-OD1 3.26Å; R364-D397 PolarHBondContact NH2-OD1 2.9Å; R364-D397 IonicContact NH2-OD2 2.69Å
398G58.5Low69.4Low34 Ų3455.3 Ų55.335%0.35132%0.321SS..  trans161.1168.7177.600000111.4T396T396-G398 PolarHBondContact OG1-N 3.15Å; T396-G398 PolarHBondContact OG1-O 3.33Å
399V66.8Low70Confident21 Ų2152.1 Ų52.113%0.12730%0.303CS..  trans-133.8134.1174.1-164.10000108.9L360 A370 L372 T396L360-V399 HydrophobicContact CD1-CG2 4.34Å; L360-V399 HydrophobicContact CD2-CG2 4.27Å; A370-V399 HydrophobicContact CB-CG1 4.1Å; A370-V399 VanDerWaalsContact O-CG1 3.29Å; A370-V399 WeakPolarHBondContact O-CG1 3.06Å; L372-V399 HydrophobicContact CB-CG1 4.04Å; L372-V399 HydrophobicContact CD1-CB 3.83Å; L372-V399 HydrophobicContact CD1-CG1 3.37Å; L372-V399 HydrophobicContact CD1-CG2 4.17Å; L372-V399 HydrophobicContact CG-CB 4.48Å; L372-V399 HydrophobicContact CG-CG1 3.49Å; L372-V399 VanDerWaalsContact CG-CG1 3.49Å; T396-V399 HydrophobicContact CG2-CG2 3.71Å
400Q65Low70.5Confident90 Ų9052 Ų5242%0.42131%0.307SS..BIsolated β-bridgetrans-78.7129.2176.4-62.6-173.17.600109.4P369 A370 T371 L372P369-Q400 HydrophobicContact CB-CG 4.48Å; A370-Q400 PolarHBondContact O-N 3.04Å; T371-Q400 CarbonylContact C-O 3.56Å; T371-Q400 WeakPolarHBondContact CA-O 3.42Å; T371-Q400 HydrophobicContact CG2-CB 4.45Å; L372-Q400 PolarHBondContact N-O 2.7Å
401I65.6Low71Confident64 Ų6451.9 Ų51.933%0.32831%0.307SS..  trans-106.786170.7-54.1-171.3000107P126P126-I401 HydrophobicContact CB-CD1 3.84Å; P126-I401 HydrophobicContact CG-CB 4.2Å; P126-I401 HydrophobicContact CG-CD1 3.62Å; P126-I401 HydrophobicContact CG-CG1 3.96Å
402D62.5Low71.5Confident42 Ų4259.7 Ų59.723%0.22533%0.33CS..  trans-124.997.7176.2-167.3-17.6000110.3T371 T404 L405T371-D402 HydrophobicContact CG2-CB 4.39Å; D402-T404 VanDerWaalsContact CG-OG1 3.24Å; D402-T404 PolarHBondContact O-N 2.78Å; D402-T404 WeakPolarHBondContact OD1-CA 3.32Å; D402-T404 VanDerWaalsContact OD1-CB 3.24Å; D402-T404 WeakPolarHBondContact OD1-CB 3.39Å; D402-T404 WeakPolarHBondContact OD1-CG2 3.32Å; D402-T404 PolarHBondContact OD1-N 2.88Å; D402-T404 PolarHBondContact OD1-OG1 3.24Å; D402-T404 PolarHBondContact OD2-OG1 3.27Å; D402-L405 HydrophobicContact CB-CB 4.46Å; D402-L405 HydrophobicContact CB-CD1 3.89Å; D402-L405 HydrophobicContact CB-CG 3.89Å; D402-L405 PolarHBondContact O-N 2.81Å
403P63.6Low72.2Confident84 Ų8455.1 Ų55.155%0.54532%0.318SS..Hα-helixtrans-65.7-18.2177.828-33.8000112.4
404T66.9Low73Confident34 Ų3452.3 Ų52.321%0.20930%0.304CS..Hα-helixtrans-73.8-34.1179.874.80000111.4V63 D402 F406 S407 Q408V63-T404 WeakPolarHBondContact CG2-OG1 3.39Å; D402-T404 VanDerWaalsContact CG-OG1 3.24Å; D402-T404 PolarHBondContact O-N 2.78Å; D402-T404 WeakPolarHBondContact OD1-CA 3.32Å; D402-T404 VanDerWaalsContact OD1-CB 3.24Å; D402-T404 WeakPolarHBondContact OD1-CB 3.39Å; D402-T404 WeakPolarHBondContact OD1-CG2 3.32Å; D402-T404 PolarHBondContact OD1-N 2.88Å; D402-T404 PolarHBondContact OD1-OG1 3.24Å; D402-T404 PolarHBondContact OD2-OG1 3.27Å; T404-F406 VanDerWaalsContact C-N 3.3Å; T404-F406 PolarHBondContact O-N 3.04Å; T404-S407 PolarHBondContact O-N 3.42Å; T404-S407 VanDerWaalsContact O-N 3.13Å; T404-Q408 VanDerWaalsContact O-CB 3.28Å; T404-Q408 WeakPolarHBondContact O-CB 3.36Å; T404-Q408 PolarHBondContact O-N 2.77Å
405L78Confident74.1Confident16 Ų1651.4 Ų51.48%0.08429%0.291CS..Hα-helixtrans-62.9-36.4176.3-65.1179.8000112.1L344 F346 T371 D402 S407 Q408 Y409L344-L405 HydrophobicContact CD1-CD1 4.14Å; L344-L405 HydrophobicContact CD1-CD2 4.29Å; L344-L405 HydrophobicContact CD2-CD1 4.13Å; F346-L405 HydrophobicContact CE1-CB 3.69Å; F346-L405 HydrophobicContact CZ-CB 3.97Å; T371-L405 HydrophobicContact CG2-CB 4.35Å; T371-L405 HydrophobicContact CG2-CD1 4.03Å; D402-L405 HydrophobicContact CB-CB 4.46Å; D402-L405 HydrophobicContact CB-CD1 3.89Å; D402-L405 HydrophobicContact CB-CG 3.89Å; D402-L405 PolarHBondContact O-N 2.81Å; L405-S407 VanDerWaalsContact C-N 3.32Å; L405-S407 PolarHBondContact O-N 2.88Å; L405-Q408 PolarHBondContact O-N 3.11Å; L405-Y409 HydrophobicContact CD2-CE2 4.18Å; L405-Y409 WeakPolarHBondContact O-CD2 3.15Å; L405-Y409 PolarHBondContact O-N 3.08Å; L405-Y409 VanDerWaalsContact O-N 3.13Å
406F79.6Confident75.4Confident6 Ų650.8 Ų50.83%0.02629%0.286CS..Hα-helixtrans-61.3-42.5174.5-79.7-90.8000111.9F346 T371 L372 R373 T404 G410 I411 V414F346-F406 HydrophobicContact CB-CE1 3.89Å; F346-F406 HydrophobicContact CB-CZ 4.02Å; F346-F406 AromaticContact CD1-CD1 3.83Å; F346-F406 HydrophobicContact CD1-CD1 3.83Å; F346-F406 AromaticContact CD1-CD2 3.95Å; F346-F406 HydrophobicContact CD1-CD2 3.95Å; F346-F406 AromaticContact CD1-CE1 3.62Å; F346-F406 HydrophobicContact CD1-CE1 3.62Å; F346-F406 AromaticContact CD1-CE2 3.75Å; F346-F406 HydrophobicContact CD1-CE2 3.75Å; F346-F406 AromaticContact CD1-CG 3.98Å; F346-F406 HydrophobicContact CD1-CG 3.98Å; F346-F406 AromaticContact CD1-CZ 3.57Å; F346-F406 HydrophobicContact CD1-CZ 3.57Å; F346-F406 HydrophobicContact CE1-CD2 4.22Å; F346-F406 HydrophobicContact CE1-CE2 4.35Å; F346-F406 HydrophobicContact CE1-CG 4.31Å; F346-F406 HydrophobicContact CG-CE1 4.22Å; F346-F406 HydrophobicContact CG-CZ 4.29Å; T371-F406 HydrophobicContact CG2-CD2 4.32Å; T371-F406 HydrophobicContact CG2-CE2 3.78Å; T371-F406 WeakPolarHBondContact O-CZ 3.48Å; L372-F406 WeakPolarHBondContact O-CE2 3.44Å; R373-F406 HydrophobicContact CB-CD1 4.06Å; R373-F406 HydrophobicContact CB-CD2 4.23Å; R373-F406 HydrophobicContact CB-CE1 3.54Å; R373-F406 HydrophobicContact CB-CE2 3.73Å; R373-F406 HydrophobicContact CB-CG 4.38Å; R373-F406 HydrophobicContact CB-CZ 3.36Å; R373-F406 HydrophobicContact CG-CD1 3.81Å; R373-F406 HydrophobicContact CG-CD2 4.06Å; R373-F406 HydrophobicContact CG-CE1 3.84Å; R373-F406 HydrophobicContact CG-CE2 4.08Å; R373-F406 HydrophobicContact CG-CG 3.93Å; R373-F406 HydrophobicContact CG-CZ 3.99Å; R373-F406 VanDerWaalsContact N-CZ 3.28Å; T404-F406 VanDerWaalsContact C-N 3.3Å; T404-F406 PolarHBondContact O-N 3.04Å; F406-G410 PolarHBondContact O-N 3.06Å; F406-I411 HydrophobicContact CD1-CB 3.93Å; F406-I411 HydrophobicContact CD1-CG2 3.87Å; F406-I411 HydrophobicContact CE1-CG2 4.05Å; F406-I411 PolarHBondContact O-N 3.2Å; F406-V414 HydrophobicContact CE1-CG1 3.67Å; F406-V414 HydrophobicContact CZ-CG1 4.41Å
407S77.4Confident76.6Confident96 Ų9650.3 Ų50.367%0.67128%0.283SS*.Hα-helixtrans-72.2-44.2177.9-61.90000111.5T404 L405 Y409 G410T404-S407 PolarHBondContact O-N 3.42Å; T404-S407 VanDerWaalsContact O-N 3.13Å; L405-S407 VanDerWaalsContact C-N 3.32Å; L405-S407 PolarHBondContact O-N 2.88Å; S407-Y409 PolarHBondContact O-N 3.24Å; S407-G410 PolarHBondContact O-N 2.67Å; S407-G410 VanDerWaalsContact O-N 3.11Å
408Q77.4Confident78.1Confident41 Ų4144.5 Ų44.519%0.19225%0.252CS..Hα-helixtrans-56.5-45.6-178.9165.6169.8-7.700112.5K61 T404 L405K61-Q408 WeakPolarHBondContact O-CG 3.46Å; K61-Q408 PolarHBondContact O-NE2 3.41Å; K61-Q408 PolarHBondContact O-OE1 2.77Å; T404-Q408 VanDerWaalsContact O-CB 3.28Å; T404-Q408 WeakPolarHBondContact O-CB 3.36Å; T404-Q408 PolarHBondContact O-N 2.77Å; L405-Q408 PolarHBondContact O-N 3.11Å
409Y84.3Confident79.7Confident22 Ų2242.9 Ų42.99%0.08624%0.236CC..THydrogen-bonded Turntrans-94.75.2179.5-63.5-71.7000113.4L344 F346 L405 S407 I411 V418 Y425 I427L344-Y409 HydrophobicContact CD1-CD2 4.43Å; L344-Y409 HydrophobicContact CD1-CE2 3.55Å; F346-Y409 HydrophobicContact CE2-CD2 4.31Å; F346-Y409 AromaticContact CZ-CD2 3.71Å; F346-Y409 HydrophobicContact CZ-CD2 3.71Å; F346-Y409 HydrophobicContact CZ-CE2 4.35Å; L405-Y409 HydrophobicContact CD2-CE2 4.18Å; L405-Y409 WeakPolarHBondContact O-CD2 3.15Å; L405-Y409 PolarHBondContact O-N 3.08Å; L405-Y409 VanDerWaalsContact O-N 3.13Å; S407-Y409 PolarHBondContact O-N 3.24Å; Y409-I411 VanDerWaalsContact C-N 3.32Å; Y409-I411 PolarHBondContact O-N 2.94Å; Y409-V418 HydrophobicContact CD1-CG1 3.6Å; Y409-V418 HydrophobicContact CD2-CG1 4.41Å; Y409-V418 HydrophobicContact CE1-CG1 3.7Å; Y409-V418 HydrophobicContact CE2-CG1 4.49Å; Y409-V418 HydrophobicContact CG-CG1 3.97Å; Y409-V418 HydrophobicContact CG-CG2 4.17Å; Y409-Y425 HydrophobicContact CD1-CD1 4.2Å; Y409-Y425 HydrophobicContact CD1-CD2 4.11Å; Y409-Y425 HydrophobicContact CD1-CE1 4.49Å; Y409-Y425 HydrophobicContact CD1-CE2 4.43Å; Y409-Y425 HydrophobicContact CD1-CG 4Å; Y409-Y425 HydrophobicContact CE1-CD1 4.21Å; Y409-Y425 HydrophobicContact CE1-CG 4.13Å; Y409-I427 WeakPolarHBondContact O-CD1 3.48Å
410G85.7Confident80.8Confident35 Ų3544 Ų4436%0.36124%0.239SC..THydrogen-bonded Turntrans60.139.9-179.700000113.3F406 S407 R412 R429F406-G410 PolarHBondContact O-N 3.06Å; S407-G410 PolarHBondContact O-N 2.67Å; S407-G410 VanDerWaalsContact O-N 3.11Å; G410-R412 PolarHBondContact O-N 3.44Å; G410-R429 PolarHBondContact O-NH2 3.2Å
411I84.7Confident81.9Confident3 Ų340.6 Ų40.62%0.01523%0.225CC..  trans-82.898.9179.8-54-56.5000109.3F346 F406 Y409 S413 V414 A416 V418 I427F346-I411 HydrophobicContact CB-CG2 3.94Å; F346-I411 HydrophobicContact CD1-CB 4.38Å; F346-I411 HydrophobicContact CD1-CG1 4.1Å; F346-I411 HydrophobicContact CD1-CG2 4.35Å; F346-I411 HydrophobicContact CD2-CD1 4.47Å; F346-I411 HydrophobicContact CD2-CG1 4.03Å; F346-I411 HydrophobicContact CE1-CG1 4.22Å; F346-I411 HydrophobicContact CE2-CG1 4.16Å; F346-I411 HydrophobicContact CG-CB 4.44Å; F346-I411 HydrophobicContact CG-CG1 4.01Å; F346-I411 HydrophobicContact CG-CG2 4.09Å; F346-I411 HydrophobicContact CZ-CG1 4.26Å; F406-I411 HydrophobicContact CD1-CB 3.93Å; F406-I411 HydrophobicContact CD1-CG2 3.87Å; F406-I411 HydrophobicContact CE1-CG2 4.05Å; F406-I411 PolarHBondContact O-N 3.2Å; Y409-I411 VanDerWaalsContact C-N 3.32Å; Y409-I411 PolarHBondContact O-N 2.94Å; I411-S413 VanDerWaalsContact CG2-O 3.31Å; I411-S413 WeakPolarHBondContact CG2-O 3.27Å; I411-V414 HydrophobicContact CG2-CG1 4.05Å; I411-A416 HydrophobicContact CD1-CB 4.05Å; I411-A416 HydrophobicContact CG2-CB 3.98Å; I411-V418 HydrophobicContact CD1-CG2 3.8Å; I411-V418 HydrophobicContact CG1-CG2 4.41Å; I411-I427 HydrophobicContact CD1-CD1 4.05Å; I411-I427 HydrophobicContact CD1-CG2 3.75Å
412R82.6Confident82.5Confident223 Ų22341.9 Ų41.984%0.84224%0.24SC*.  trans-94.7-26.3176.9-63.4-174.6-179.8-173.40.3113.4R373 G410R373-R412 PolarHBondContact NH1-O 3.34Å; G410-R412 PolarHBondContact O-N 3.44Å
413S85.3Confident83.2Confident62 Ų6247.7 Ų47.743%0.43427%0.266SS..SBendtrans-123.6145.2178.153.60000110.3I411I411-S413 VanDerWaalsContact CG2-O 3.31Å; I411-S413 WeakPolarHBondContact CG2-O 3.27Å
414V86.4Confident84.2Confident39 Ų3945.3 Ų45.324%0.23626%0.256CS..SBendtrans-126.7151.6174.3-67.30000109.6F346 S348 F406 I411F346-V414 HydrophobicContact CB-CG1 3.96Å; S348-V414 VanDerWaalsContact CB-CG2 3.47Å; F406-V414 HydrophobicContact CE1-CG1 3.67Å; F406-V414 HydrophobicContact CZ-CG1 4.41Å; I411-V414 HydrophobicContact CG2-CG1 4.05Å
415P91.4Very high85.3Confident20 Ų2048.1 Ų48.113%0.1326%0.263CS..SBendcis-68.5149.2-1.420.9-28.2000115.5Y345 F346 M359 G430Y345-P415 HydrophobicContact CE1-CB 4.41Å; Y345-P415 WeakPolarHBondContact OH-CB 3.43Å; F346-P415 WeakPolarHBondContact O-CA 3.13Å; M359-P415 HydrophobicContact CE-CB 3.26Å; M359-P415 HydrophobicContact CE-CG 3.4Å; M359-P415 VanDerWaalsContact CE-CG 3.4Å; P415-G430 WeakPolarHBondContact CG-O 3.49Å; P415-G430 PolarHBondContact O-N 2.73Å
416A92.4Very high86Confident1 Ų148.4 Ų48.41%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-144.1135.3171.300000111.2F346 I411 I427 I428 R429F346-A416 HydrophobicContact CB-CB 4.37Å; F346-A416 PolarHBondContact N-O 3.19Å; F346-A416 PolarHBondContact O-N 2.79Å; I411-A416 HydrophobicContact CD1-CB 4.05Å; I411-A416 HydrophobicContact CG2-CB 3.98Å; A416-I427 HydrophobicContact CB-CG2 4.47Å; A416-I428 CarbonylContact C-O 3.55Å; A416-I428 VanDerWaalsContact CA-O 3.24Å; A416-I428 WeakPolarHBondContact CA-O 3.43Å; A416-R429 HydrophobicContact CB-CG 4.31Å
417L93.3Very high86.5Confident2 Ų249.9 Ų49.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-101.5128.7170.1176.969.9000108.4A343 Y345 I368 V419 I427 I428 A437 L438A343-L417 HydrophobicContact CB-CD1 4.27Å; Y345-L417 HydrophobicContact CD2-CB 3.95Å; Y345-L417 HydrophobicContact CD2-CD1 3.9Å; Y345-L417 HydrophobicContact CE2-CB 4.23Å; I368-L417 HydrophobicContact CD1-CD1 4.07Å; I368-L417 HydrophobicContact CG2-CD1 4.32Å; L417-V419 HydrophobicContact CD2-CG2 4.14Å; L417-V419 HydrophobicContact CG-CG2 4.17Å; L417-I427 WeakPolarHBondContact O-CA 3.43Å; L417-I428 HydrophobicContact CB-CB 4.41Å; L417-I428 PolarHBondContact N-O 3.43Å; L417-I428 PolarHBondContact O-N 3.31Å; L417-A437 HydrophobicContact CB-CB 4.39Å; L417-A437 HydrophobicContact CD2-CB 3.61Å; L417-L438 HydrophobicContact CD2-CD2 3.91Å; L417-L438 HydrophobicContact CD2-CG 4.02Å
418V92.9Very high87.2Confident0 Ų046.5 Ų46.50%025%0.247CC..EExtended strand (participates in β ladder)trans-111123.7170.6178.10000108A343 L344 F346 Y409 I411 D426 I427A343-V418 CarbonylContact C-O 3.48Å; A343-V418 WeakPolarHBondContact CA-O 3.39Å; L344-V418 PolarHBondContact N-O 3.38Å; L344-V418 PolarHBondContact O-N 2.98Å; F346-V418 HydrophobicContact CD2-CG2 3.85Å; F346-V418 HydrophobicContact CE2-CB 3.89Å; F346-V418 HydrophobicContact CE2-CG2 3.37Å; F346-V418 HydrophobicContact CZ-CG2 4.34Å; Y409-V418 HydrophobicContact CD1-CG1 3.6Å; Y409-V418 HydrophobicContact CD2-CG1 4.41Å; Y409-V418 HydrophobicContact CE1-CG1 3.7Å; Y409-V418 HydrophobicContact CE2-CG1 4.49Å; Y409-V418 HydrophobicContact CG-CG1 3.97Å; Y409-V418 HydrophobicContact CG-CG2 4.17Å; I411-V418 HydrophobicContact CD1-CG2 3.8Å; I411-V418 HydrophobicContact CG1-CG2 4.41Å; V418-D426 WeakPolarHBondContact CA-O 3.29Å; V418-I427 HydrophobicContact CG2-CG1 4.14Å; V418-I427 HydrophobicContact CG2-CG2 4.2Å
419V92.5Very high87.8Confident0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-109.9123.2169.8-1760000106.7A343 L417 Y425 D426 L438 V441 C447 V450A343-V419 HydrophobicContact CB-CG2 4.24Å; L417-V419 HydrophobicContact CD2-CG2 4.14Å; L417-V419 HydrophobicContact CG-CG2 4.17Å; V419-Y425 CarbonylContact O-C 3.52Å; V419-Y425 WeakPolarHBondContact O-CA 3.41Å; V419-D426 PolarHBondContact N-O 2.88Å; V419-D426 PolarHBondContact O-N 2.91Å; V419-L438 HydrophobicContact CG2-CD2 4.13Å; V419-V441 HydrophobicContact CB-CG1 4.13Å; V419-V441 HydrophobicContact CG1-CG1 4.31Å; V419-V441 HydrophobicContact CG2-CB 4.45Å; V419-V441 HydrophobicContact CG2-CG1 4.16Å; V419-V441 HydrophobicContact CG2-CG2 4.1Å; V419-C447 HydrophobicContact CB-CB 4.44Å; V419-C447 HydrophobicContact CG1-CB 3.8Å; V419-V450 HydrophobicContact CG1-CB 3.89Å; V419-V450 HydrophobicContact CG1-CG1 3.8Å
420F90.1Very high87.8Confident43 Ų4350.9 Ų50.919%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-115.2148.8-179.657.9-88.7000110.4Q341 G342 L344 G424Q341-F420 CarbonylContact C-O 3.46Å; Q341-F420 WeakPolarHBondContact CA-O 3.2Å; G342-F420 PolarHBondContact N-O 3.41Å; G342-F420 WeakPolarHBondContact O-CD1 3.38Å; G342-F420 PolarHBondContact O-N 3.18Å; L344-F420 HydrophobicContact CD1-CE1 4.12Å; L344-F420 HydrophobicContact CG-CE1 4.1Å; F420-G424 WeakPolarHBondContact CA-O 3.4Å
421C87.7Confident87.6Confident19 Ų1956.4 Ų56.413%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-146.8175.3-179.757.30000109.3R340 Q423 G424 C447 V450R340-C421 CarbonylContact O-C 3.47Å; R340-C421 WeakPolarHBondContact O-CA 3.37Å; C421-Q423 PolarHBondContact O-N 3.2Å; C421-G424 PolarHBondContact N-O 3.29Å; C421-G424 PolarHBondContact O-N 3.48Å; C421-G424 VanDerWaalsContact O-N 3.12Å; C421-C447 HydrophobicContact CB-CB 3.68Å; C421-C447 WeakPolarHBondContact CB-SG 3.24Å; C421-C447 PolarHBondContact N-SG 3.33Å; C421-C447 WeakPolarHBondContact SG-CA 3.38Å; C421-C447 WeakPolarHBondContact SG-CB 3.42Å; C421-C447 CovalentContact SG-SG 2.06Å; C421-C447 PolarHBondContact SG-SG 2.95Å; C421-V450 HydrophobicContact CB-CG2 3.76Å
422S78.1Confident87.6Confident92 Ų9259.1 Ų59.164%0.64331%0.308SS*.THydrogen-bonded Turntrans-61.6-19.2-177.857.10000113.7R340R340-S422 PolarHBondContact O-N 3.37Å
423Q76.4Confident87.8Confident164 Ų16455.9 Ų55.977%0.76630%0.296SS*.THydrogen-bonded Turntrans-93.5-14.3-178.3-59.2-178.510.800113.4C421C421-Q423 PolarHBondContact O-N 3.2Å
424G85.7Confident87.9Confident33 Ų3353 Ų5334%0.3428%0.275SS..EExtended strand (participates in β ladder)trans153.2-147.4-173.700000113.1F420 C421F420-G424 WeakPolarHBondContact CA-O 3.4Å; C421-G424 PolarHBondContact N-O 3.29Å; C421-G424 PolarHBondContact O-N 3.48Å; C421-G424 VanDerWaalsContact O-N 3.12Å
425Y90.5Very high88.1Confident93 Ų9351.4 Ų51.437%0.36527%0.267SS..EExtended strand (participates in β ladder)trans-150143.5176.858.9-93.8000111.5Y409 V419 I427Y409-Y425 HydrophobicContact CD1-CD1 4.2Å; Y409-Y425 HydrophobicContact CD1-CD2 4.11Å; Y409-Y425 HydrophobicContact CD1-CE1 4.49Å; Y409-Y425 HydrophobicContact CD1-CE2 4.43Å; Y409-Y425 HydrophobicContact CD1-CG 4Å; Y409-Y425 HydrophobicContact CE1-CD1 4.21Å; Y409-Y425 HydrophobicContact CE1-CG 4.13Å; V419-Y425 CarbonylContact O-C 3.52Å; V419-Y425 WeakPolarHBondContact O-CA 3.41Å; Y425-I427 HydrophobicContact CD2-CD1 3.87Å; Y425-I427 HydrophobicContact CD2-CG1 3.67Å; Y425-I427 HydrophobicContact CE2-CD1 3.6Å; Y425-I427 HydrophobicContact CE2-CG1 3.91Å
426D90.8Very high88Confident23 Ų2355.1 Ų55.112%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-100.9141.3169.7-67.1-59.5000110V418 V419 V441 G445 D446 C447V418-D426 WeakPolarHBondContact CA-O 3.29Å; V419-D426 PolarHBondContact N-O 2.88Å; V419-D426 PolarHBondContact O-N 2.91Å; D426-V441 HydrophobicContact CB-CG1 4.1Å; D426-V441 HydrophobicContact CB-CG2 4.19Å; D426-V441 WeakPolarHBondContact OD2-CG1 3.19Å; D426-G445 WeakPolarHBondContact OD2-CA 3.48Å; D426-D446 VanDerWaalsContact CG-N 3.34Å; D426-D446 PolarHBondContact OD1-N 2.87Å; D426-D446 PolarHBondContact OD2-N 3.38Å; D426-C447 WeakPolarHBondContact OD2-CB 3.41Å; D426-C447 PolarHBondContact OD2-N 3.07Å
427I91.6Very high87.9Confident36 Ų3655.2 Ų55.219%0.18528%0.283CS..EExtended strand (participates in β ladder)trans-123.2118.4176.1-47.6-176.2000109.9Y409 I411 A416 L417 V418 Y425 R429Y409-I427 WeakPolarHBondContact O-CD1 3.48Å; I411-I427 HydrophobicContact CD1-CD1 4.05Å; I411-I427 HydrophobicContact CD1-CG2 3.75Å; A416-I427 HydrophobicContact CB-CG2 4.47Å; L417-I427 WeakPolarHBondContact O-CA 3.43Å; V418-I427 HydrophobicContact CG2-CG1 4.14Å; V418-I427 HydrophobicContact CG2-CG2 4.2Å; Y425-I427 HydrophobicContact CD2-CD1 3.87Å; Y425-I427 HydrophobicContact CD2-CG1 3.67Å; Y425-I427 HydrophobicContact CE2-CD1 3.6Å; Y425-I427 HydrophobicContact CE2-CG1 3.91Å; I427-R429 HydrophobicContact CG2-CG 3.87Å
428I91.8Very high87.9Confident25 Ų2555.1 Ų55.113%0.12828%0.283CS..EExtended strand (participates in β ladder)trans-98.7113.9167.9-56.7-58.3000108.2A416 L417 L432 A437 K440 V441A416-I428 CarbonylContact C-O 3.55Å; A416-I428 VanDerWaalsContact CA-O 3.24Å; A416-I428 WeakPolarHBondContact CA-O 3.43Å; L417-I428 HydrophobicContact CB-CB 4.41Å; L417-I428 PolarHBondContact N-O 3.43Å; L417-I428 PolarHBondContact O-N 3.31Å; I428-L432 HydrophobicContact CG2-CD1 3.98Å; I428-A437 HydrophobicContact CB-CB 4.22Å; I428-A437 HydrophobicContact CG1-CB 4.4Å; I428-A437 HydrophobicContact CG2-CB 3.87Å; I428-K440 HydrophobicContact CD1-CB 4.5Å; I428-K440 HydrophobicContact CD1-CD 4.14Å; I428-K440 HydrophobicContact CD1-CG 4.18Å; I428-V441 HydrophobicContact CD1-CG2 3.97Å; I428-V441 HydrophobicContact CG1-CG2 3.59Å
429R90.1Very high87.8Confident120 Ų12060.6 Ų60.645%0.45331%0.309SS..EExtended strand (participates in β ladder)trans-100.8138.6174.5-62.8-179.4175.282.8-1109.5G410 A416 I427G410-R429 PolarHBondContact O-NH2 3.2Å; A416-R429 HydrophobicContact CB-CG 4.31Å; I427-R429 HydrophobicContact CG2-CG 3.87Å
430G84.3Confident87.8Confident35 Ų3566 Ų6636%0.36133%0.332SS..SBendtrans120.4-179.6175.800000113.6P415 L432P415-G430 WeakPolarHBondContact CG-O 3.49Å; P415-G430 PolarHBondContact O-N 2.73Å; G430-L432 VanDerWaalsContact C-N 3.27Å; G430-L432 PolarHBondContact O-N 3Å
431N80.8Confident87.8Confident152 Ų15264 Ų6481%0.81332%0.323SS*.SBendtrans-86.426.1-169.368.6-21.4000114.7
432L84.3Confident88Confident60 Ų6063.5 Ų63.531%0.31432%0.32SS..  trans-67.3145.3172.9-68.8173.9000109.8I428 G430 Q436 A437 K440I428-L432 HydrophobicContact CG2-CD1 3.98Å; G430-L432 VanDerWaalsContact C-N 3.27Å; G430-L432 PolarHBondContact O-N 3Å; L432-Q436 HydrophobicContact CB-CB 4.46Å; L432-A437 HydrophobicContact CB-CB 4.35Å; L432-K440 HydrophobicContact CD1-CD 4.28Å
433R87.6Confident88.6Confident155 Ų15562.5 Ų62.559%0.58532%0.318SS*.  trans-60.5149.4168.3-67.7-172.5-176.9-173.21.6109.6E362 G435 Q436 A437E362-R433 WeakPolarHBondContact OE1-CD 3.35Å; E362-R433 WeakPolarHBondContact OE1-CG 3.28Å; E362-R433 IonicContact OE1-NE 3.99Å; E362-R433 WeakPolarHBondContact OE2-CA 3.22Å; E362-R433 WeakPolarHBondContact OE2-CB 3.41Å; R433-G435 PolarHBondContact O-N 2.93Å; R433-Q436 HydrophobicContact CB-CB 4.48Å; R433-Q436 HydrophobicContact CB-CG 4.25Å; R433-Q436 PolarHBondContact O-N 3.33Å; R433-A437 PolarHBondContact O-N 2.62Å
434V88.3Confident89.2Confident0 Ų059.9 Ų59.90%031%0.313CS..Hα-helixtrans-56.3-42.2-176.5179.20000110.7Y345 E362 T363 Y366 I368 A437 L438Y345-V434 HydrophobicContact CD2-CG2 4.16Å; Y345-V434 HydrophobicContact CE2-CG2 3.76Å; E362-V434 HydrophobicContact CB-CB 4.18Å; E362-V434 HydrophobicContact CB-CG2 3.85Å; E362-V434 PolarHBondContact OE2-N 2.93Å; T363-V434 HydrophobicContact CG2-CG2 3.89Å; Y366-V434 HydrophobicContact CD2-CB 4.05Å; Y366-V434 HydrophobicContact CD2-CG1 3.59Å; Y366-V434 HydrophobicContact CE2-CB 4.13Å; Y366-V434 HydrophobicContact CE2-CG1 4.08Å; Y366-V434 HydrophobicContact CG-CG1 4.32Å; I368-V434 HydrophobicContact CD1-CG1 3.82Å; V434-A437 PolarHBondContact O-N 2.8Å; V434-L438 HydrophobicContact CG1-CD1 4.16Å; V434-L438 HydrophobicContact CG1-CG 4.49Å; V434-L438 WeakPolarHBondContact O-CG 3.21Å; V434-L438 PolarHBondContact O-N 3.1Å
435G88.6Confident89.3Confident6 Ų658.6 Ų58.66%0.06230%0.3CS..Hα-helixtrans-60-46.5175.500000113.2Y366 R433 A437 L438 E439Y366-G435 WeakPolarHBondContact OH-CA 3.37Å; R433-G435 PolarHBondContact O-N 2.93Å; G435-A437 VanDerWaalsContact C-N 3.32Å; G435-A437 PolarHBondContact O-N 3.49Å; G435-L438 PolarHBondContact O-N 2.88Å; G435-E439 WeakPolarHBondContact O-CG 3.12Å; G435-E439 PolarHBondContact O-N 3.31Å
436Q90.2Very high89.2Confident98 Ų9859.5 Ų59.546%0.45831%0.311SS..Hα-helixtrans-66-35.6177.4-65.9178.8-44.500112.2L432 R433 E439 K440L432-Q436 HydrophobicContact CB-CB 4.46Å; R433-Q436 HydrophobicContact CB-CB 4.48Å; R433-Q436 HydrophobicContact CB-CG 4.25Å; R433-Q436 PolarHBondContact O-N 3.33Å; Q436-E439 PolarHBondContact O-N 2.89Å; Q436-K440 WeakPolarHBondContact O-CB 3.27Å; Q436-K440 PolarHBondContact O-N 3.05Å
437A91.3Very high89.1Confident3 Ų358.5 Ų58.53%0.02531%0.306CS..Hα-helixtrans-66.3-42.8175.500000110.9L417 I428 L432 R433 V434 G435 K440 V441L417-A437 HydrophobicContact CB-CB 4.39Å; L417-A437 HydrophobicContact CD2-CB 3.61Å; I428-A437 HydrophobicContact CB-CB 4.22Å; I428-A437 HydrophobicContact CG1-CB 4.4Å; I428-A437 HydrophobicContact CG2-CB 3.87Å; L432-A437 HydrophobicContact CB-CB 4.35Å; R433-A437 PolarHBondContact O-N 2.62Å; V434-A437 PolarHBondContact O-N 2.8Å; G435-A437 VanDerWaalsContact C-N 3.32Å; G435-A437 PolarHBondContact O-N 3.49Å; A437-K440 PolarHBondContact O-N 2.78Å; A437-V441 WeakPolarHBondContact O-CG2 3.37Å; A437-V441 PolarHBondContact O-N 3.38Å
438L91.4Very high89.1Confident0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-64.3-43.1173.5-70.9170.1000112Y366 I368 L417 V419 V434 G435 K440 V441 A442 A451 L454 L455Y366-L438 HydrophobicContact CD1-CD1 3.77Å; Y366-L438 HydrophobicContact CD2-CD1 4.34Å; Y366-L438 HydrophobicContact CE1-CD1 4.09Å; Y366-L438 HydrophobicContact CG-CD1 3.91Å; I368-L438 HydrophobicContact CD1-CD1 4.12Å; I368-L438 HydrophobicContact CD1-CD2 4.35Å; L417-L438 HydrophobicContact CD2-CD2 3.91Å; L417-L438 HydrophobicContact CD2-CG 4.02Å; V419-L438 HydrophobicContact CG2-CD2 4.13Å; V434-L438 HydrophobicContact CG1-CD1 4.16Å; V434-L438 HydrophobicContact CG1-CG 4.49Å; V434-L438 WeakPolarHBondContact O-CG 3.21Å; V434-L438 PolarHBondContact O-N 3.1Å; G435-L438 PolarHBondContact O-N 2.88Å; L438-K440 VanDerWaalsContact C-N 3.25Å; L438-K440 PolarHBondContact O-N 2.75Å; L438-V441 PolarHBondContact O-N 2.74Å; L438-V441 VanDerWaalsContact O-N 3.15Å; L438-A442 VanDerWaalsContact O-CB 3.31Å; L438-A442 WeakPolarHBondContact O-CB 3.28Å; L438-A442 PolarHBondContact O-N 3.45Å; L438-A451 HydrophobicContact CD2-CB 4.32Å; L438-L454 HydrophobicContact CD1-CB 4.13Å; L438-L454 HydrophobicContact CD2-CB 4.09Å; L438-L454 HydrophobicContact CD2-CD1 3.79Å; L438-L455 HydrophobicContact CB-CD1 4.13Å; L438-L455 HydrophobicContact CB-CD2 3.73Å; L438-L455 HydrophobicContact CB-CG 3.76Å; L438-L455 HydrophobicContact CD1-CD2 4.14Å; L438-L455 HydrophobicContact CD1-CG 4.34Å
439E92.3Very high89Confident116 Ų11667.7 Ų67.754%0.54234%0.342SS..Hα-helixtrans-58-39.7174.7-75.9170.2179.400111.5G435 Q436 A442 A443 L455G435-E439 WeakPolarHBondContact O-CG 3.12Å; G435-E439 PolarHBondContact O-N 3.31Å; Q436-E439 PolarHBondContact O-N 2.89Å; E439-A442 PolarHBondContact O-N 3.13Å; E439-A443 WeakPolarHBondContact O-CB 3.48Å; E439-A443 PolarHBondContact O-N 3.37Å; E439-L455 HydrophobicContact CG-CD1 4.06Å; E439-L455 HydrophobicContact CG-CD2 4.28Å
440K91.7Very high88.9Confident112 Ų11262.4 Ų62.449%0.48732%0.323SS..Hα-helixtrans-66.9-41.4176.2-172.1167.5-177.2176.30112.3I428 L432 Q436 A437 L438 A442 A443 T444I428-K440 HydrophobicContact CD1-CB 4.5Å; I428-K440 HydrophobicContact CD1-CD 4.14Å; I428-K440 HydrophobicContact CD1-CG 4.18Å; L432-K440 HydrophobicContact CD1-CD 4.28Å; Q436-K440 WeakPolarHBondContact O-CB 3.27Å; Q436-K440 PolarHBondContact O-N 3.05Å; A437-K440 PolarHBondContact O-N 2.78Å; L438-K440 VanDerWaalsContact C-N 3.25Å; L438-K440 PolarHBondContact O-N 2.75Å; K440-A442 VanDerWaalsContact C-N 3.33Å; K440-A443 PolarHBondContact O-N 3.04Å; K440-T444 PolarHBondContact O-N 2.87Å; K440-T444 PolarHBondContact O-OG1 3.13Å; K440-T444 VanDerWaalsContact O-OG1 3.07Å
441V91.2Very high89.2Confident2 Ų260.7 Ų60.71%0.01231%0.306CS..Hα-helixtrans-65.2-40173.4177.50000110.5V419 D426 I428 A437 L438 A443 G445 R448 A451V419-V441 HydrophobicContact CB-CG1 4.13Å; V419-V441 HydrophobicContact CG1-CG1 4.31Å; V419-V441 HydrophobicContact CG2-CB 4.45Å; V419-V441 HydrophobicContact CG2-CG1 4.16Å; V419-V441 HydrophobicContact CG2-CG2 4.1Å; D426-V441 HydrophobicContact CB-CG1 4.1Å; D426-V441 HydrophobicContact CB-CG2 4.19Å; D426-V441 WeakPolarHBondContact OD2-CG1 3.19Å; I428-V441 HydrophobicContact CD1-CG2 3.97Å; I428-V441 HydrophobicContact CG1-CG2 3.59Å; A437-V441 WeakPolarHBondContact O-CG2 3.37Å; A437-V441 PolarHBondContact O-N 3.38Å; L438-V441 PolarHBondContact O-N 2.74Å; L438-V441 VanDerWaalsContact O-N 3.15Å; V441-A443 VanDerWaalsContact C-N 3.32Å; V441-A443 PolarHBondContact O-N 2.79Å; V441-G445 WeakPolarHBondContact O-CA 3.41Å; V441-G445 PolarHBondContact O-N 3.43Å; V441-R448 WeakPolarHBondContact O-CG 3.31Å; V441-A451 HydrophobicContact CB-CB 3.81Å; V441-A451 HydrophobicContact CG1-CB 3.66Å
442A91.2Very high89.6Confident8 Ų858.1 Ų58.17%0.06629%0.289CS..Hα-helixtrans-65.9-30.6176.900000113.1L438 E439 K440 R448 A451 L455L438-A442 VanDerWaalsContact O-CB 3.31Å; L438-A442 WeakPolarHBondContact O-CB 3.28Å; L438-A442 PolarHBondContact O-N 3.45Å; E439-A442 PolarHBondContact O-N 3.13Å; K440-A442 VanDerWaalsContact C-N 3.33Å; A442-R448 WeakPolarHBondContact O-CD 3.34Å; A442-R448 VanDerWaalsContact O-CG 3.23Å; A442-R448 WeakPolarHBondContact O-CG 3.15Å; A442-A451 HydrophobicContact CB-CB 4.01Å; A442-L455 HydrophobicContact CB-CD1 4.12Å
443A90.6Very high89.8Confident72 Ų7257.6 Ų57.660%0.59529%0.286SS*.Hα-helixtrans-81.3-43.5177.500000113.3E439 K440 V441E439-A443 WeakPolarHBondContact O-CB 3.48Å; E439-A443 PolarHBondContact O-N 3.37Å; K440-A443 PolarHBondContact O-N 3.04Å; V441-A443 VanDerWaalsContact C-N 3.32Å; V441-A443 PolarHBondContact O-N 2.79Å
444T89Confident89.7Confident108 Ų10851 Ų5166%0.66326%0.262SS*.Hα-helixtrans-132.3-6.2-166.259.60000116K440K440-T444 PolarHBondContact O-N 2.87Å; K440-T444 PolarHBondContact O-OG1 3.13Å; K440-T444 VanDerWaalsContact O-OG1 3.07Å
445G87.1Confident89.7Confident7 Ų753.6 Ų53.67%0.07228%0.276CS..  trans-78.2176.9-175.900000114.4D426 V441 R448D426-G445 WeakPolarHBondContact OD2-CA 3.48Å; V441-G445 WeakPolarHBondContact O-CA 3.41Å; V441-G445 PolarHBondContact O-N 3.43Å; G445-R448 VanDerWaalsContact O-CG 3.27Å; G445-R448 WeakPolarHBondContact O-CG 3.34Å; G445-R448 PolarHBondContact O-NE 3.46Å
446D88.5Confident89.4Confident111 Ų11156.6 Ų56.659%0.59430%0.3SS*.SBendtrans-85-32.4170.8-68.2-31.7000111.3D426 R448D426-D446 VanDerWaalsContact CG-N 3.34Å; D426-D446 PolarHBondContact OD1-N 2.87Å; D426-D446 PolarHBondContact OD2-N 3.38Å; D446-R448 VanDerWaalsContact C-N 3.3Å; D446-R448 PolarHBondContact O-N 3.03Å
447C90.2Very high88.4Confident3 Ų354.8 Ų54.82%0.0231%0.308CS..  trans-92.836.2178.7-58.50000113V419 C421 D426 Q449 V450 A451V419-C447 HydrophobicContact CB-CB 4.44Å; V419-C447 HydrophobicContact CG1-CB 3.8Å; C421-C447 HydrophobicContact CB-CB 3.68Å; C421-C447 WeakPolarHBondContact CB-SG 3.24Å; C421-C447 PolarHBondContact N-SG 3.33Å; C421-C447 WeakPolarHBondContact SG-CA 3.38Å; C421-C447 WeakPolarHBondContact SG-CB 3.42Å; C421-C447 CovalentContact SG-SG 2.06Å; C421-C447 PolarHBondContact SG-SG 2.95Å; D426-C447 WeakPolarHBondContact OD2-CB 3.41Å; D426-C447 PolarHBondContact OD2-N 3.07Å; C447-Q449 VanDerWaalsContact C-N 3.32Å; C447-Q449 PolarHBondContact O-N 2.85Å; C447-V450 HydrophobicContact CB-CG2 4.42Å; C447-V450 PolarHBondContact O-N 3.22Å; C447-V450 VanDerWaalsContact O-N 3.16Å; C447-A451 PolarHBondContact O-N 3.05Å
448R91.2Very high86.6Confident130 Ų13062.1 Ų62.149%0.49134%0.34SS..Hα-helixtrans-50.5-45.6-177.8-81.9179-106.7155-2.8114.1V441 A442 G445 D446 V450 A451 H452V441-R448 WeakPolarHBondContact O-CG 3.31Å; A442-R448 WeakPolarHBondContact O-CD 3.34Å; A442-R448 VanDerWaalsContact O-CG 3.23Å; A442-R448 WeakPolarHBondContact O-CG 3.15Å; G445-R448 VanDerWaalsContact O-CG 3.27Å; G445-R448 WeakPolarHBondContact O-CG 3.34Å; G445-R448 PolarHBondContact O-NE 3.46Å; D446-R448 VanDerWaalsContact C-N 3.3Å; D446-R448 PolarHBondContact O-N 3.03Å; R448-V450 VanDerWaalsContact C-N 3.33Å; R448-V450 PolarHBondContact O-N 3.19Å; R448-A451 PolarHBondContact O-N 3Å; R448-H452 PolarHBondContact O-CD2 3.47Å; R448-H452 VanDerWaalsContact O-CD2 3.26Å; R448-H452 PolarHBondContact O-N 2.88Å
449Q88.3Confident84.3Confident124 Ų12464 Ų6458%0.57936%0.358SS*.Hα-helixtrans-62.2-42.9-177.1-171.959.44400111.6C447 A451 H452 D453C447-Q449 VanDerWaalsContact C-N 3.32Å; C447-Q449 PolarHBondContact O-N 2.85Å; Q449-A451 VanDerWaalsContact C-N 3.32Å; Q449-A451 PolarHBondContact O-N 2.87Å; Q449-H452 WeakPolarHBondContact O-CB 3.36Å; Q449-H452 PolarHBondContact O-N 3.13Å; Q449-D453 PolarHBondContact NE2-OD1 3.01Å; Q449-D453 PolarHBondContact O-N 3.28Å
450V88.9Confident82.1Confident8 Ų866 Ų665%0.04837%0.373CS..Hα-helixtrans-63.6-41.3178.4-173.90000110.7Q341 V419 C421 C447 R448 D453 L454Q341-V450 HydrophobicContact CB-CG1 4.28Å; Q341-V450 HydrophobicContact CB-CG2 3.6Å; Q341-V450 HydrophobicContact CG-CG2 4.48Å; V419-V450 HydrophobicContact CG1-CB 3.89Å; V419-V450 HydrophobicContact CG1-CG1 3.8Å; C421-V450 HydrophobicContact CB-CG2 3.76Å; C447-V450 HydrophobicContact CB-CG2 4.42Å; C447-V450 PolarHBondContact O-N 3.22Å; C447-V450 VanDerWaalsContact O-N 3.16Å; R448-V450 VanDerWaalsContact C-N 3.33Å; R448-V450 PolarHBondContact O-N 3.19Å; V450-D453 PolarHBondContact O-N 2.85Å; V450-L454 HydrophobicContact CG1-CD1 4.19Å; V450-L454 VanDerWaalsContact O-CG 3.31Å; V450-L454 WeakPolarHBondContact O-CG 3.43Å; V450-L454 PolarHBondContact O-N 3.36Å
451A89.8Confident79.2Confident0 Ų066.2 Ų66.20%039%0.389CS..Hα-helixtrans-65.9-39.3176.600000112.5L438 V441 A442 C447 R448 Q449 L454 L455L438-A451 HydrophobicContact CD2-CB 4.32Å; V441-A451 HydrophobicContact CB-CB 3.81Å; V441-A451 HydrophobicContact CG1-CB 3.66Å; A442-A451 HydrophobicContact CB-CB 4.01Å; C447-A451 PolarHBondContact O-N 3.05Å; R448-A451 PolarHBondContact O-N 3Å; Q449-A451 VanDerWaalsContact C-N 3.32Å; Q449-A451 PolarHBondContact O-N 2.87Å; A451-L454 PolarHBondContact O-N 3.16Å; A451-L455 WeakPolarHBondContact O-CB 3.36Å; A451-L455 VanDerWaalsContact O-CG 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.49Å; A451-L455 PolarHBondContact O-N 3.11Å
452H90.4Very high76.5Confident98 Ų9869.2 Ų69.245%0.45442%0.42SS..Hα-helixtrans-61.7-42.5171.8-81-62.6000112.3R448 Q449 L454 L455 A456R448-H452 PolarHBondContact O-CD2 3.47Å; R448-H452 VanDerWaalsContact O-CD2 3.26Å; R448-H452 PolarHBondContact O-N 2.88Å; Q449-H452 WeakPolarHBondContact O-CB 3.36Å; Q449-H452 PolarHBondContact O-N 3.13Å; H452-L454 VanDerWaalsContact C-N 3.35Å; H452-L455 PolarHBondContact O-N 3.02Å; H452-A456 WeakPolarHBondContact O-CB 3.45Å; H452-A456 PolarHBondContact O-N 3.17Å
453D87.2Confident73.5Confident48 Ų4882.5 Ų82.526%0.25748%0.476SS..Hα-helixtrans-66-38.4179.6-65.2-22.5000111.5Q449 V450 A456 G457 K458Q449-D453 PolarHBondContact NE2-OD1 3.01Å; Q449-D453 PolarHBondContact O-N 3.28Å; V450-D453 PolarHBondContact O-N 2.85Å; D453-A456 PolarHBondContact O-N 3.2Å; D453-G457 PolarHBondContact O-N 3.16Å; D453-K458 WeakPolarHBondContact O-CA 3.16Å; D453-K458 PolarHBondContact O-N 3.12Å
454L86.9Confident72.7Confident16 Ų1683.1 Ų83.18%0.08447%0.47CS..Hα-helixtrans-67-42.6173.8-71.2168.5000112.2A343 I368 L438 V450 A451 H452 A456 G457A343-L454 HydrophobicContact CB-CD1 3.52Å; I368-L454 HydrophobicContact CD1-CD1 4.43Å; I368-L454 HydrophobicContact CG1-CD2 4.4Å; L438-L454 HydrophobicContact CD1-CB 4.13Å; L438-L454 HydrophobicContact CD2-CB 4.09Å; L438-L454 HydrophobicContact CD2-CD1 3.79Å; V450-L454 HydrophobicContact CG1-CD1 4.19Å; V450-L454 VanDerWaalsContact O-CG 3.31Å; V450-L454 WeakPolarHBondContact O-CG 3.43Å; V450-L454 PolarHBondContact O-N 3.36Å; A451-L454 PolarHBondContact O-N 3.16Å; H452-L454 VanDerWaalsContact C-N 3.35Å; L454-A456 VanDerWaalsContact C-N 3.29Å; L454-A456 PolarHBondContact O-N 3.39Å; L454-G457 PolarHBondContact O-N 2.84Å
455L88.3Confident71.8Confident55 Ų5581.7 Ų81.729%0.28846%0.46SS..Hα-helixtrans-64.3-33.7175.6-75.8168.1000112.6Y366 L438 E439 A442 A451 H452 G457Y366-L455 HydrophobicContact CE1-CD2 4.14Å; L438-L455 HydrophobicContact CB-CD1 4.13Å; L438-L455 HydrophobicContact CB-CD2 3.73Å; L438-L455 HydrophobicContact CB-CG 3.76Å; L438-L455 HydrophobicContact CD1-CD2 4.14Å; L438-L455 HydrophobicContact CD1-CG 4.34Å; E439-L455 HydrophobicContact CG-CD1 4.06Å; E439-L455 HydrophobicContact CG-CD2 4.28Å; A442-L455 HydrophobicContact CB-CD1 4.12Å; A451-L455 WeakPolarHBondContact O-CB 3.36Å; A451-L455 VanDerWaalsContact O-CG 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.49Å; A451-L455 PolarHBondContact O-N 3.11Å; H452-L455 PolarHBondContact O-N 3.02Å; L455-G457 PolarHBondContact O-N 3.26Å
456A82.2Confident71Confident69 Ų6985.9 Ų85.957%0.5748%0.481SS*.THydrogen-bonded Turntrans-79.70.4178.400000113.8H452 D453 L454 K458H452-A456 WeakPolarHBondContact O-CB 3.45Å; H452-A456 PolarHBondContact O-N 3.17Å; D453-A456 PolarHBondContact O-N 3.2Å; L454-A456 VanDerWaalsContact C-N 3.29Å; L454-A456 PolarHBondContact O-N 3.39Å; A456-K458 HydrophobicContact CB-CG 4.45Å; A456-K458 PolarHBondContact O-N 3.24Å
457G69Low70Confident61 Ų6184.4 Ų84.463%0.62948%0.475SS*.THydrogen-bonded Turntrans68.620.8-175.600000113.8D453 L454 L455D453-G457 PolarHBondContact O-N 3.16Å; L454-G457 PolarHBondContact O-N 2.84Å; L455-G457 PolarHBondContact O-N 3.26Å
458K52.6Low68.7Low157 Ų15789.5 Ų89.568%0.68350%0.503SS*.  trans-94.87.5177.9-73-174.3176.7178.10113.5D453 A456 D460D453-K458 WeakPolarHBondContact O-CA 3.16Å; D453-K458 PolarHBondContact O-N 3.12Å; A456-K458 HydrophobicContact CB-CG 4.45Å; A456-K458 PolarHBondContact O-N 3.24Å; K458-D460 PolarHBondContact O-N 3.46Å; K458-D460 VanDerWaalsContact O-N 3.13Å
459G44.8Very low67.2Low38 Ų3886.8 Ų86.839%0.39250%0.504SS..THydrogen-bonded Turntrans-69103.9170.700000110.7
460D44.4Very low65.7Low160 Ų16084.1 Ų84.186%0.85650%0.499SS*.THydrogen-bonded Turntrans84.150.3169.8-139.321.5000118K458K458-D460 PolarHBondContact O-N 3.46Å; K458-D460 VanDerWaalsContact O-N 3.13Å
461S31.8Very low63.9Low116 Ų11690 Ų9081%0.81153%0.533SS*.  trans-115.636.9164-64.70000113.1
462G33.3Very low61.7Low64 Ų6497.5 Ų97.566%0.6658%0.578SS**  trans-118.478.4-177.700000113.5
463K29.8Very low59.1Low288 Ų28897.5 Ų97.5100%1.25259%0.589SS**  trans46.20158.2-78.1-173.7176.1-179.10120.4

Retrieved 463 of 463 residues in 328.9 ms (Link to these results)

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