A0A077Z1V3_TRITR Loading...

LIM zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1V3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 742 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
1M48.8Very low78.8Confident237 Ų23796.5 Ų96.5100%1.16746%0.463SS*.  0116.30-69.9179.5-153.500108.1K3M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.16Å
2V59.7Low79.2Confident145 Ų14592.3 Ų92.388%0.87945%0.448SS*.  trans-65.1113.4169.5-179.80000106.1E4V2-E4 PolarHBondContact O-N 3.27Å
3K73.7Confident79.2Confident138 Ų13886.1 Ų86.160%0.642%0.419SS*.PPolyproline II helixtrans-69.3119.7177.1-70.7-176.5180179.40107.6M1 L5 P12M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.16Å; K3-L5 PolarHBondContact O-N 3.16Å; K3-P12 HydrophobicContact CB-CB 4.24Å; K3-P12 HydrophobicContact CD-CB 4.21Å; K3-P12 HydrophobicContact CD-CG 4.42Å
4E84.6Confident79.3Confident71 Ų7189.9 Ų89.933%0.33243%0.429SS..PPolyproline II helixtrans-60.8130.4176.4-65.2162.3155.500109.3V2 P12 V13 K18 F27V2-E4 PolarHBondContact O-N 3.27Å; E4-P12 WeakPolarHBondContact O-CA 3.26Å; E4-V13 PolarHBondContact O-N 2.87Å; E4-K18 IonicContact OE1-NZ 3.71Å; E4-K18 PolarHBondContact OE1-NZ 2.82Å; E4-K18 WeakPolarHBondContact OE2-CD 3.35Å; E4-K18 WeakPolarHBondContact OE2-CE 3.12Å; E4-K18 IonicContact OE2-NZ 2.71Å; E4-K18 PolarHBondContact OE2-NZ 3.4Å; E4-F27 HydrophobicContact CB-CD2 3.67Å; E4-F27 HydrophobicContact CB-CE2 3.97Å; E4-F27 HydrophobicContact CB-CG 4.14Å; E4-F27 VanDerWaalsContact CD-CZ 3.5Å; E4-F27 HydrophobicContact CG-CD2 3.88Å; E4-F27 HydrophobicContact CG-CE2 3.6Å; E4-F27 HydrophobicContact CG-CZ 4.08Å; E4-F27 WeakPolarHBondContact OE1-CZ 3.17Å
5L87.8Confident79Confident94 Ų9491.9 Ų91.949%0.49245%0.452SS..BIsolated β-bridgetrans-100.3141.3-176.9-60.1178.9000110K3 F7 P12K3-L5 PolarHBondContact O-N 3.16Å; L5-F7 PolarHBondContact O-N 3.18Å; L5-P12 HydrophobicContact CD2-CB 4.48Å; L5-P12 HydrophobicContact CD2-CG 4.1Å
6C86.9Confident78.9Confident1 Ų195.2 Ų95.21%0.00748%0.479CS..BIsolated β-bridgetrans-66.9128.71731750000109R8 C9 K10 R11 V13 F27 H29 C32C6-R8 PolarHBondContact O-N 2.6Å; C6-C9 VanDerWaalsContact CB-SG 3.54Å; C6-C9 VanDerWaalsContact SG-SG 3.67Å; C6-K10 WeakPolarHBondContact O-CA 3.49Å; C6-K10 PolarHBondContact O-N 3.3Å; C6-R11 WeakPolarHBondContact CB-O 3.36Å; C6-R11 PolarHBondContact N-O 3.05Å; C6-V13 HydrophobicContact CB-CG2 3.57Å; C6-V13 VanDerWaalsContact N-CG2 3.34Å; C6-F27 CarbonylContact C-O 3.47Å; C6-F27 VanDerWaalsContact CA-O 3.27Å; C6-F27 WeakPolarHBondContact CA-O 3.06Å; C6-H29 WeakPolarHBondContact CB-CE1 3.3Å; C6-H29 VanDerWaalsContact CB-ND1 3.3Å; C6-H29 WeakPolarHBondContact CB-ND1 3.1Å; C6-H29 PolarHBondContact SG-ND1 2.77Å; C6-H29 VanDerWaalsContact SG-ND1 3.44Å; C6-C32 VanDerWaalsContact SG-CB 3.54Å
7F87.9Confident78.7Confident46 Ų4690.9 Ų90.920%0.20246%0.458CS..THydrogen-bonded Turntrans-60.1-35.5180177.8-99.6000112.8L5 K10 I26 F27 F28 Q57 E58L5-F7 PolarHBondContact O-N 3.18Å; F7-K10 WeakPolarHBondContact O-CD 2.97Å; F7-K10 WeakPolarHBondContact O-CE 3.45Å; F7-K10 PolarHBondContact O-NZ 2.99Å; F7-I26 HydrophobicContact CB-CG2 3.39Å; F7-I26 HydrophobicContact CD2-CD1 4.04Å; F7-I26 HydrophobicContact CD2-CG1 4.34Å; F7-I26 HydrophobicContact CD2-CG2 4.3Å; F7-I26 HydrophobicContact CE2-CD1 4.25Å; F7-I26 HydrophobicContact CG-CD1 4.45Å; F7-I26 HydrophobicContact CG-CG2 3.89Å; F7-F27 PolarHBondContact N-O 3.38Å; F7-F28 HydrophobicContact CB-CE1 4.01Å; F7-F28 HydrophobicContact CB-CE2 4.44Å; F7-F28 HydrophobicContact CB-CZ 3.97Å; F7-F28 AromaticContact CD1-CE1 3.9Å; F7-F28 HydrophobicContact CD1-CE1 3.9Å; F7-F28 AromaticContact CD1-CZ 3.74Å; F7-F28 HydrophobicContact CD1-CZ 3.74Å; F7-F28 HydrophobicContact CG-CE1 4.43Å; F7-F28 HydrophobicContact CG-CZ 4.22Å; F7-Q57 HydrophobicContact CE1-CB 4.29Å; F7-Q57 HydrophobicContact CE2-CB 3.92Å; F7-Q57 HydrophobicContact CZ-CB 3.64Å; F7-E58 HydrophobicContact CE1-CG 4.25Å; F7-E58 WeakPolarHBondContact CE1-OE1 3.42Å
8R82.8Confident78.8Confident30 Ų3089.9 Ų89.911%0.11345%0.45CS..THydrogen-bonded Turntrans-84.1-46.2-174.7-163.7169.1-88.8167.4-9.5114C6 F28 C32 K34 Y36 E58 I119C6-R8 PolarHBondContact O-N 2.6Å; R8-F28 HydrophobicContact CB-CD1 4.04Å; R8-F28 HydrophobicContact CB-CE1 3.98Å; R8-C32 HydrophobicContact CB-CB 4.27Å; R8-C32 PolarHBondContact NH1-O 3.45Å; R8-K34 VanDerWaalsContact CZ-O 3.29Å; R8-K34 PolarHBondContact NH1-O 3.26Å; R8-K34 PolarHBondContact NH2-O 3.32Å; R8-Y36 VanDerWaalsContact NH2-CA 3.28Å; R8-E58 IonicContact CZ-OE2 2.91Å; R8-E58 IonicContact NE-OE2 3.85Å; R8-E58 IonicContact NH2-OE2 2.76Å; R8-E58 PolarHBondContact NH2-OE2 2.84Å; R8-I119 HydrophobicContact CG-CG2 4.11Å
9C81.2Confident79.2Confident30 Ų3085.8 Ų85.820%0.20343%0.43CS..THydrogen-bonded Turntrans-102-4.7-177.378.10000114C6 R11 H29 I119C6-C9 VanDerWaalsContact CB-SG 3.54Å; C6-C9 VanDerWaalsContact SG-SG 3.67Å; C9-R11 PolarHBondContact O-N 3.4Å; C9-R11 PolarHBondContact SG-N 3.32Å; C9-H29 PolarHBondContact SG-CE1 3.41Å; C9-H29 PolarHBondContact SG-ND1 2.85Å; C9-I119 HydrophobicContact CB-CD1 3.72Å; C9-I119 HydrophobicContact CB-CG1 4.22Å
10K87Confident79.5Confident129 Ų12982.8 Ų82.856%0.56142%0.422SS*.  trans57.214.1-177.7-51.1-57-172.9-166.30115.1C6 F7C6-K10 WeakPolarHBondContact O-CA 3.49Å; C6-K10 PolarHBondContact O-N 3.3Å; F7-K10 WeakPolarHBondContact O-CD 2.97Å; F7-K10 WeakPolarHBondContact O-CE 3.45Å; F7-K10 PolarHBondContact O-NZ 2.99Å
11R85.9Confident79.7Confident141 Ų14183.2 Ų83.253%0.53243%0.43SS..SBendtrans-92.6154.2175.8-59178.2-172.1-169.91.9111.2C6 C9 V13 H29C6-R11 WeakPolarHBondContact CB-O 3.36Å; C6-R11 PolarHBondContact N-O 3.05Å; C9-R11 PolarHBondContact O-N 3.4Å; C9-R11 PolarHBondContact SG-N 3.32Å; R11-V13 PolarHBondContact O-N 3.42Å; R11-H29 PolarHBondContact O-CE1 2.87Å
12P83.9Confident81.4Confident45 Ų4572.8 Ų72.829%0.29238%0.379SS..BIsolated β-bridgetrans-55.8134.5176.7-24.734.2000112.5K3 E4 L5 H29K3-P12 HydrophobicContact CB-CB 4.24Å; K3-P12 HydrophobicContact CD-CB 4.21Å; K3-P12 HydrophobicContact CD-CG 4.42Å; E4-P12 WeakPolarHBondContact O-CA 3.26Å; L5-P12 HydrophobicContact CD2-CB 4.48Å; L5-P12 HydrophobicContact CD2-CG 4.1Å; P12-H29 PolarHBondContact O-NE2 2.79Å
13V79Confident82.2Confident12 Ų1268.3 Ų68.37%0.07335%0.348CS..PPolyproline II helixtrans-93.9129.1175-172.80000108.8E4 C6 R11 K18 F27E4-V13 PolarHBondContact O-N 2.87Å; C6-V13 HydrophobicContact CB-CG2 3.57Å; C6-V13 VanDerWaalsContact N-CG2 3.34Å; R11-V13 PolarHBondContact O-N 3.42Å; V13-K18 HydrophobicContact CG1-CB 3.61Å; V13-K18 HydrophobicContact CG1-CG 3.84Å; V13-F27 HydrophobicContact CG2-CB 4.23Å
14Y80.8Confident82.5Confident140 Ų14066.6 Ų66.655%0.54935%0.345SS..PPolyproline II helixtrans-92148.7177.4-63.5-79.3000110.2T16 D17 K18Y14-T16 PolarHBondContact O-N 3.45Å; Y14-T16 VanDerWaalsContact O-N 3.08Å; Y14-D17 CarbonylContact O-C 3.48Å; Y14-D17 PolarHBondContact O-N 2.85Å; Y14-K18 WeakPolarHBondContact O-CB 3.47Å; Y14-K18 PolarHBondContact O-N 3.37Å; Y14-K18 VanDerWaalsContact O-N 3.09Å
15P75.6Confident82.4Confident120 Ų12065.3 Ų65.378%0.77935%0.351SS*.G310 helixtrans-52-35.3-176.6-29.335.4000115D17P15-D17 VanDerWaalsContact C-N 3.3Å; P15-D17 PolarHBondContact O-N 2.83Å
16T77.1Confident82.4Confident144 Ų14461.5 Ų61.588%0.88333%0.331SS*.G310 helixtrans-75.2-15179.449.60000114.4Y14Y14-T16 PolarHBondContact O-N 3.45Å; Y14-T16 VanDerWaalsContact O-N 3.08Å
17D74.8Confident82.5Confident23 Ų2362.7 Ų62.712%0.12334%0.336CS..G310 helixtrans-121.712-175.8-172.835.6000111.3Y14 P15 H29 H30 Y116Y14-D17 CarbonylContact O-C 3.48Å; Y14-D17 PolarHBondContact O-N 2.85Å; P15-D17 VanDerWaalsContact C-N 3.3Å; P15-D17 PolarHBondContact O-N 2.83Å; D17-H29 CarbonylContact O-C 3.59Å; D17-H29 VanDerWaalsContact O-CA 3.27Å; D17-H29 WeakPolarHBondContact O-CA 3.4Å; D17-H29 WeakPolarHBondContact OD2-CB 3.41Å; D17-H29 IonicContact OD2-CD2 2.6Å; D17-H29 PolarHBondContact OD2-CD2 3.16Å; D17-H29 IonicContact OD2-CG 2.77Å; D17-H30 PolarHBondContact O-N 3.44Å; D17-H30 WeakPolarHBondContact OD1-CB 3.41Å; D17-H30 PolarHBondContact OD1-N 2.71Å; D17-Y116 PolarHBondContact OD1-OH 3.48Å; D17-Y116 WeakPolarHBondContact OD2-CE1 3.38Å
18K81.6Confident82.5Confident72 Ų7260.6 Ų60.631%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-87.6122.7-170.9-175.6-179.8172.11780111.8E4 V13 Y14 F27E4-K18 IonicContact OE1-NZ 3.71Å; E4-K18 PolarHBondContact OE1-NZ 2.82Å; E4-K18 WeakPolarHBondContact OE2-CD 3.35Å; E4-K18 WeakPolarHBondContact OE2-CE 3.12Å; E4-K18 IonicContact OE2-NZ 2.71Å; E4-K18 PolarHBondContact OE2-NZ 3.4Å; V13-K18 HydrophobicContact CG1-CB 3.61Å; V13-K18 HydrophobicContact CG1-CG 3.84Å; Y14-K18 WeakPolarHBondContact O-CB 3.47Å; Y14-K18 PolarHBondContact O-N 3.37Å; Y14-K18 VanDerWaalsContact O-N 3.09Å; K18-F27 HydrophobicContact CD-CD1 4.21Å; K18-F27 HydrophobicContact CD-CE1 4.39Å; K18-F27 HydrophobicContact CG-CD1 4.08Å
19V85.3Confident82.6Confident13 Ų1359.9 Ų59.98%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-113.2114.6166.6-174.90000109F27 F28 H30 F33 L44V19-F27 CarbonylContact O-C 3.56Å; V19-F27 WeakPolarHBondContact O-CA 3.34Å; V19-F28 HydrophobicContact CB-CB 4.46Å; V19-F28 PolarHBondContact N-O 3.36Å; V19-F28 PolarHBondContact O-N 2.87Å; V19-H30 HydrophobicContact CG2-CB 4.28Å; V19-F33 HydrophobicContact CB-CB 4.27Å; V19-F33 HydrophobicContact CB-CD1 4.43Å; V19-F33 HydrophobicContact CB-CG 4.18Å; V19-F33 HydrophobicContact CG1-CB 4.31Å; V19-F33 HydrophobicContact CG1-CD1 3.63Å; V19-F33 HydrophobicContact CG1-CD2 3.92Å; V19-F33 HydrophobicContact CG1-CE1 3.78Å; V19-F33 HydrophobicContact CG1-CE2 4.1Å; V19-F33 HydrophobicContact CG1-CG 3.69Å; V19-F33 HydrophobicContact CG1-CZ 4.01Å; V19-F33 HydrophobicContact CG2-CB 4.17Å; V19-F33 HydrophobicContact CG2-CD1 4.42Å; V19-F33 HydrophobicContact CG2-CG 4.38Å; V19-L44 HydrophobicContact CG1-CD2 3.92Å; V19-L44 HydrophobicContact CG1-CG 4.44Å
20G85Confident82.6Confident25 Ų2562.9 Ų62.926%0.25834%0.336SS..  trans135.7-177.9-178.400000112.8
21P84.4Confident82Confident91 Ų9157 Ų5759%0.59131%0.311SS*.  cis-72.41418.427.5-31.2000112.1I26 F27P21-I26 WeakPolarHBondContact CA-O 3.44Å; P21-F27 VanDerWaalsContact CA-CE1 3.44Å; P21-F27 HydrophobicContact CB-CD1 4.45Å; P21-F27 HydrophobicContact CB-CE1 3.6Å; P21-F27 HydrophobicContact CB-CZ 3.72Å; P21-F27 HydrophobicContact CG-CE1 4.16Å; P21-F27 HydrophobicContact CG-CZ 4.38Å; P21-F27 VanDerWaalsContact N-CE1 3.3Å
22L84.4Confident81.9Confident19 Ų1950.4 Ų50.410%0.09929%0.287CS..  trans-102.5-162.9170.8-60.2176000109.4D24 G25 I26 F28 F33 L44 Y47 V59L22-D24 PolarHBondContact O-N 3.09Å; L22-G25 PolarHBondContact O-N 2.9Å; L22-I26 PolarHBondContact N-O 3.46Å; L22-F28 HydrophobicContact CD1-CD2 3.77Å; L22-F28 HydrophobicContact CD1-CE2 3.83Å; L22-F33 HydrophobicContact CD1-CD2 4.11Å; L22-F33 HydrophobicContact CD1-CE2 3.36Å; L22-F33 HydrophobicContact CD1-CZ 4.05Å; L22-L44 HydrophobicContact CD2-CD2 3.75Å; L22-Y47 HydrophobicContact CD2-CE1 4.22Å; L22-Y47 HydrophobicContact CD2-CE2 4.15Å; L22-V59 HydrophobicContact CD1-CG1 4.12Å
23K76.4Confident82.1Confident51 Ų5148.4 Ų48.422%0.22227%0.274CS..G310 helixtrans-44.3135.7172.4-172.3-179.5171.9-162.60110.8G25 I26 H49 R53 I54 D56K23-G25 PolarHBondContact O-N 3.08Å; K23-I26 WeakPolarHBondContact O-CB 3.47Å; K23-I26 WeakPolarHBondContact O-CD1 3.4Å; K23-I26 VanDerWaalsContact O-CG1 3.26Å; K23-I26 WeakPolarHBondContact O-CG1 3.27Å; K23-I26 PolarHBondContact O-N 2.87Å; K23-H49 WeakPolarHBondContact CB-NE2 3.27Å; K23-R53 PolarHBondContact NZ-O 2.79Å; K23-I54 WeakPolarHBondContact CE-O 3.19Å; K23-I54 PolarHBondContact NZ-O 2.92Å; K23-D56 PolarHBondContact NZ-O 2.86Å
24D79.7Confident82.4Confident102 Ų10248.8 Ų48.855%0.54527%0.274SS..G310 helixtrans57.124.1-178.7-51.7-27.3000115.9L22 I26 Q57L22-D24 PolarHBondContact O-N 3.09Å; D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 HydrophobicContact CB-CD1 4.46Å; D24-I26 HydrophobicContact CB-CG1 4.5Å; D24-Q57 PolarHBondContact OD2-NE2 2.94Å
25G83Confident82.5Confident44 Ų4442.1 Ų42.145%0.45425%0.248SC..G310 helixtrans75.324.1177.200000113.7L22 K23 F27L22-G25 PolarHBondContact O-N 2.9Å; K23-G25 PolarHBondContact O-N 3.08Å; G25-F27 VanDerWaalsContact O-CD2 3.3Å; G25-F27 WeakPolarHBondContact O-CD2 3.1Å; G25-F27 WeakPolarHBondContact O-CE2 3.49Å
26I87.7Confident82.7Confident14 Ų1439.1 Ų39.17%0.07222%0.222CC..  trans-80.2141-175.3-68.4172.6000112.1F7 P21 L22 K23 D24 F28 Q57F7-I26 HydrophobicContact CB-CG2 3.39Å; F7-I26 HydrophobicContact CD2-CD1 4.04Å; F7-I26 HydrophobicContact CD2-CG1 4.34Å; F7-I26 HydrophobicContact CD2-CG2 4.3Å; F7-I26 HydrophobicContact CE2-CD1 4.25Å; F7-I26 HydrophobicContact CG-CD1 4.45Å; F7-I26 HydrophobicContact CG-CG2 3.89Å; P21-I26 WeakPolarHBondContact CA-O 3.44Å; L22-I26 PolarHBondContact N-O 3.46Å; K23-I26 WeakPolarHBondContact O-CB 3.47Å; K23-I26 WeakPolarHBondContact O-CD1 3.4Å; K23-I26 VanDerWaalsContact O-CG1 3.26Å; K23-I26 WeakPolarHBondContact O-CG1 3.27Å; K23-I26 PolarHBondContact O-N 2.87Å; D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 HydrophobicContact CB-CD1 4.46Å; D24-I26 HydrophobicContact CB-CG1 4.5Å; I26-F28 HydrophobicContact CG2-CD2 3.91Å; I26-F28 HydrophobicContact CG2-CE2 3.36Å; I26-F28 HydrophobicContact CG2-CZ 3.92Å; I26-Q57 HydrophobicContact CD1-CB 3.41Å; I26-Q57 VanDerWaalsContact CD1-CB 3.41Å; I26-Q57 HydrophobicContact CD1-CG 3.52Å
27F89Confident82.5Confident26 Ų2634.5 Ų34.511%0.11419%0.191CC..BIsolated β-bridgetrans-118.2148.4174.1-57-77.1000111.5E4 C6 F7 V13 K18 V19 P21 G25E4-F27 HydrophobicContact CB-CD2 3.67Å; E4-F27 HydrophobicContact CB-CE2 3.97Å; E4-F27 HydrophobicContact CB-CG 4.14Å; E4-F27 VanDerWaalsContact CD-CZ 3.5Å; E4-F27 HydrophobicContact CG-CD2 3.88Å; E4-F27 HydrophobicContact CG-CE2 3.6Å; E4-F27 HydrophobicContact CG-CZ 4.08Å; E4-F27 WeakPolarHBondContact OE1-CZ 3.17Å; C6-F27 CarbonylContact C-O 3.47Å; C6-F27 VanDerWaalsContact CA-O 3.27Å; C6-F27 WeakPolarHBondContact CA-O 3.06Å; F7-F27 PolarHBondContact N-O 3.38Å; V13-F27 HydrophobicContact CG2-CB 4.23Å; K18-F27 HydrophobicContact CD-CD1 4.21Å; K18-F27 HydrophobicContact CD-CE1 4.39Å; K18-F27 HydrophobicContact CG-CD1 4.08Å; V19-F27 CarbonylContact O-C 3.56Å; V19-F27 WeakPolarHBondContact O-CA 3.34Å; P21-F27 VanDerWaalsContact CA-CE1 3.44Å; P21-F27 HydrophobicContact CB-CD1 4.45Å; P21-F27 HydrophobicContact CB-CE1 3.6Å; P21-F27 HydrophobicContact CB-CZ 3.72Å; P21-F27 HydrophobicContact CG-CE1 4.16Å; P21-F27 HydrophobicContact CG-CZ 4.38Å; P21-F27 VanDerWaalsContact N-CE1 3.3Å; G25-F27 VanDerWaalsContact O-CD2 3.3Å; G25-F27 WeakPolarHBondContact O-CD2 3.1Å; G25-F27 WeakPolarHBondContact O-CE2 3.49Å
28F88.4Confident82.2Confident1 Ų133.6 Ų33.60%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-128.1152.8170.2-66.6-95.2000109.6F7 R8 V19 L22 I26 C32 F33 V59F7-F28 HydrophobicContact CB-CE1 4.01Å; F7-F28 HydrophobicContact CB-CE2 4.44Å; F7-F28 HydrophobicContact CB-CZ 3.97Å; F7-F28 AromaticContact CD1-CE1 3.9Å; F7-F28 HydrophobicContact CD1-CE1 3.9Å; F7-F28 AromaticContact CD1-CZ 3.74Å; F7-F28 HydrophobicContact CD1-CZ 3.74Å; F7-F28 HydrophobicContact CG-CE1 4.43Å; F7-F28 HydrophobicContact CG-CZ 4.22Å; R8-F28 HydrophobicContact CB-CD1 4.04Å; R8-F28 HydrophobicContact CB-CE1 3.98Å; V19-F28 HydrophobicContact CB-CB 4.46Å; V19-F28 PolarHBondContact N-O 3.36Å; V19-F28 PolarHBondContact O-N 2.87Å; L22-F28 HydrophobicContact CD1-CD2 3.77Å; L22-F28 HydrophobicContact CD1-CE2 3.83Å; I26-F28 HydrophobicContact CG2-CD2 3.91Å; I26-F28 HydrophobicContact CG2-CE2 3.36Å; I26-F28 HydrophobicContact CG2-CZ 3.92Å; F28-C32 HydrophobicContact CB-CB 4.31Å; F28-C32 HydrophobicContact CD1-CB 4.27Å; F28-F33 HydrophobicContact CB-CB 3.98Å; F28-F33 HydrophobicContact CB-CD2 4.11Å; F28-F33 HydrophobicContact CB-CG 4.48Å; F28-F33 AromaticContact CD2-CD2 3.86Å; F28-F33 HydrophobicContact CD2-CD2 3.86Å; F28-F33 HydrophobicContact CD2-CE2 4.36Å; F28-F33 HydrophobicContact CE2-CD2 4.47Å; F28-F33 HydrophobicContact CG-CD2 4Å; F28-V59 HydrophobicContact CE1-CG2 4.36Å; F28-V59 HydrophobicContact CE2-CG1 4.08Å; F28-V59 HydrophobicContact CE2-CG2 4.32Å; F28-V59 HydrophobicContact CZ-CG1 4.29Å; F28-V59 HydrophobicContact CZ-CG2 4.01Å
29H84.2Confident81.9Confident15 Ų1530.3 Ų30.37%0.06917%0.173CC..EExtended strand (participates in β ladder)trans-66.5153.1157.6-59.5106.1000109.5C6 C9 R11 P12 D17 G31 C32 F33 Y116C6-H29 WeakPolarHBondContact CB-CE1 3.3Å; C6-H29 VanDerWaalsContact CB-ND1 3.3Å; C6-H29 WeakPolarHBondContact CB-ND1 3.1Å; C6-H29 PolarHBondContact SG-ND1 2.77Å; C6-H29 VanDerWaalsContact SG-ND1 3.44Å; C9-H29 PolarHBondContact SG-CE1 3.41Å; C9-H29 PolarHBondContact SG-ND1 2.85Å; R11-H29 PolarHBondContact O-CE1 2.87Å; P12-H29 PolarHBondContact O-NE2 2.79Å; D17-H29 CarbonylContact O-C 3.59Å; D17-H29 VanDerWaalsContact O-CA 3.27Å; D17-H29 WeakPolarHBondContact O-CA 3.4Å; D17-H29 WeakPolarHBondContact OD2-CB 3.41Å; D17-H29 IonicContact OD2-CD2 2.6Å; D17-H29 PolarHBondContact OD2-CD2 3.16Å; D17-H29 IonicContact OD2-CG 2.77Å; H29-G31 PolarHBondContact O-N 3.06Å; H29-C32 HydrophobicContact CB-CB 3.97Å; H29-C32 PolarHBondContact ND1-SG 3.18Å; H29-C32 CarbonylContact O-C 3.45Å; H29-C32 WeakPolarHBondContact O-CA 3.11Å; H29-C32 WeakPolarHBondContact O-CB 3.3Å; H29-C32 PolarHBondContact O-N 3.23Å; H29-F33 PolarHBondContact O-N 3.47Å; H29-Y116 HydrophobicContact CB-CE1 4.47Å
30H81.3Confident81.4Confident94 Ų9430.7 Ų30.744%0.43518%0.176SC..THydrogen-bonded Turntrans-55.8-39.4174.6-165.4-74.4000111.4D17 V19 C32D17-H30 PolarHBondContact O-N 3.44Å; D17-H30 WeakPolarHBondContact OD1-CB 3.41Å; D17-H30 PolarHBondContact OD1-N 2.71Å; V19-H30 HydrophobicContact CG2-CB 4.28Å; H30-C32 VanDerWaalsContact C-N 3.34Å; H30-C32 PolarHBondContact O-N 2.78Å
31G75.4Confident81.1Confident5 Ų534.7 Ų34.75%0.05218%0.184CC..THydrogen-bonded Turntrans-71.3-21.8173.600000115.1H29 K34H29-G31 PolarHBondContact O-N 3.06Å; G31-K34 WeakPolarHBondContact O-CD 3.42Å; G31-K34 VanDerWaalsContact O-CE 3.24Å; G31-K34 WeakPolarHBondContact O-CE 3.35Å
32C82.5Confident81.2Confident3 Ų330.8 Ų30.82%0.0216%0.158CC..THydrogen-bonded Turntrans-88.4-19.6177.5-67.60000112.8C6 R8 F28 H29 H30 K34 I119C6-C32 VanDerWaalsContact SG-CB 3.54Å; R8-C32 HydrophobicContact CB-CB 4.27Å; R8-C32 PolarHBondContact NH1-O 3.45Å; F28-C32 HydrophobicContact CB-CB 4.31Å; F28-C32 HydrophobicContact CD1-CB 4.27Å; H29-C32 HydrophobicContact CB-CB 3.97Å; H29-C32 PolarHBondContact ND1-SG 3.18Å; H29-C32 CarbonylContact O-C 3.45Å; H29-C32 WeakPolarHBondContact O-CA 3.11Å; H29-C32 WeakPolarHBondContact O-CB 3.3Å; H29-C32 PolarHBondContact O-N 3.23Å; H30-C32 VanDerWaalsContact C-N 3.34Å; H30-C32 PolarHBondContact O-N 2.78Å; C32-K34 PolarHBondContact O-N 2.84Å; C32-I119 HydrophobicContact CB-CD1 4.45Å; C32-I119 WeakPolarHBondContact SG-CD1 3.34Å
33F89.3Confident81.2Confident3 Ų333.2 Ų33.21%0.01317%0.173CC..  trans-77.375.3-176.1-168.1-122.1000111.2V19 L22 F28 H29 L42 T43 Y47 V59V19-F33 HydrophobicContact CB-CB 4.27Å; V19-F33 HydrophobicContact CB-CD1 4.43Å; V19-F33 HydrophobicContact CB-CG 4.18Å; V19-F33 HydrophobicContact CG1-CB 4.31Å; V19-F33 HydrophobicContact CG1-CD1 3.63Å; V19-F33 HydrophobicContact CG1-CD2 3.92Å; V19-F33 HydrophobicContact CG1-CE1 3.78Å; V19-F33 HydrophobicContact CG1-CE2 4.1Å; V19-F33 HydrophobicContact CG1-CG 3.69Å; V19-F33 HydrophobicContact CG1-CZ 4.01Å; V19-F33 HydrophobicContact CG2-CB 4.17Å; V19-F33 HydrophobicContact CG2-CD1 4.42Å; V19-F33 HydrophobicContact CG2-CG 4.38Å; L22-F33 HydrophobicContact CD1-CD2 4.11Å; L22-F33 HydrophobicContact CD1-CE2 3.36Å; L22-F33 HydrophobicContact CD1-CZ 4.05Å; F28-F33 HydrophobicContact CB-CB 3.98Å; F28-F33 HydrophobicContact CB-CD2 4.11Å; F28-F33 HydrophobicContact CB-CG 4.48Å; F28-F33 AromaticContact CD2-CD2 3.86Å; F28-F33 HydrophobicContact CD2-CD2 3.86Å; F28-F33 HydrophobicContact CD2-CE2 4.36Å; F28-F33 HydrophobicContact CE2-CD2 4.47Å; F28-F33 HydrophobicContact CG-CD2 4Å; H29-F33 PolarHBondContact O-N 3.47Å; F33-L42 HydrophobicContact CD1-CB 3.77Å; F33-L42 WeakPolarHBondContact CD1-O 3.31Å; F33-L42 HydrophobicContact CE1-CB 3.63Å; F33-L42 HydrophobicContact CG-CB 4.37Å; F33-L42 HydrophobicContact CZ-CB 4.1Å; F33-L42 PolarHBondContact O-N 2.92Å; F33-T43 VanDerWaalsContact CE1-C 3.5Å; F33-Y47 HydrophobicContact CE2-CG 4.44Å; F33-Y47 AromaticContact CZ-CD1 3.86Å; F33-Y47 HydrophobicContact CZ-CD1 3.86Å; F33-Y47 HydrophobicContact CZ-CD2 4.37Å; F33-Y47 AromaticContact CZ-CG 3.69Å; F33-Y47 HydrophobicContact CZ-CG 3.69Å; F33-V59 HydrophobicContact CD2-CG2 4.08Å; F33-V59 HydrophobicContact CE2-CB 4.21Å; F33-V59 HydrophobicContact CE2-CG1 4Å; F33-V59 HydrophobicContact CE2-CG2 4.03Å
34K84.4Confident81.5Confident20 Ų2036 Ų369%0.08719%0.19CC..BIsolated β-bridgetrans-129.7154.7-174-67.1172166.6-172.60110.4R8 G31 C32 Y36 G39 S40 R41 D129 D131R8-K34 VanDerWaalsContact CZ-O 3.29Å; R8-K34 PolarHBondContact NH1-O 3.26Å; R8-K34 PolarHBondContact NH2-O 3.32Å; G31-K34 WeakPolarHBondContact O-CD 3.42Å; G31-K34 VanDerWaalsContact O-CE 3.24Å; G31-K34 WeakPolarHBondContact O-CE 3.35Å; C32-K34 PolarHBondContact O-N 2.84Å; K34-Y36 PolarHBondContact O-N 3.03Å; K34-G39 WeakPolarHBondContact CB-O 3.43Å; K34-G39 VanDerWaalsContact CD-O 3.29Å; K34-G39 WeakPolarHBondContact CD-O 3.39Å; K34-G39 WeakPolarHBondContact CG-O 3.36Å; K34-S40 CarbonylContact C-O 3.52Å; K34-S40 WeakPolarHBondContact CA-O 3.45Å; K34-R41 HydrophobicContact CG-CG 4.25Å; K34-D129 IonicContact NZ-OD1 3.46Å; K34-D129 PolarHBondContact NZ-OD1 3.15Å; K34-D129 VanDerWaalsContact NZ-OD1 3.1Å; K34-D129 IonicContact NZ-OD2 2.74Å; K34-D129 PolarHBondContact NZ-OD2 3.49Å; K34-D131 WeakPolarHBondContact CE-OD2 3.16Å; K34-D131 IonicContact NZ-OD1 2.89Å; K34-D131 IonicContact NZ-OD2 3.61Å; K34-D131 PolarHBondContact NZ-OD2 3.43Å
35C82.7Confident81.5Confident0 Ų042.6 Ų42.60%021%0.208CC..  trans-58.2129.3172.6174.60000110.5I37 C38 G39 S40 L42 V59 C61 H64C35-I37 PolarHBondContact O-N 3.22Å; C35-I37 PolarHBondContact SG-N 3.17Å; C35-I37 VanDerWaalsContact SG-N 3.44Å; C35-C38 WeakPolarHBondContact CB-SG 3.2Å; C35-G39 VanDerWaalsContact O-CA 3.32Å; C35-G39 WeakPolarHBondContact O-CA 3.46Å; C35-G39 PolarHBondContact O-N 2.86Å; C35-S40 PolarHBondContact N-O 2.88Å; C35-L42 HydrophobicContact CB-CD1 4.39Å; C35-L42 HydrophobicContact CB-CD2 4.27Å; C35-L42 HydrophobicContact CB-CG 4.46Å; C35-V59 CarbonylContact C-O 3.49Å; C35-V59 WeakPolarHBondContact CA-O 3.45Å; C35-C61 HydrophobicContact CB-CB 4.08Å; C35-C61 PolarHBondContact SG-N 3.44Å; C35-C61 VanDerWaalsContact SG-N 3.36Å; C35-H64 VanDerWaalsContact SG-CB 3.59Å
36Y80.5Confident81.4Confident57 Ų5743.8 Ų43.822%0.22421%0.206CC..THydrogen-bonded Turntrans-59.1-28.3179.7-177.7-112.3000114.2R8 K34 E58 V59 Y60 H121 G123R8-Y36 VanDerWaalsContact NH2-CA 3.28Å; K34-Y36 PolarHBondContact O-N 3.03Å; Y36-E58 HydrophobicContact CD1-CG 4.3Å; Y36-E58 HydrophobicContact CD2-CB 4.44Å; Y36-E58 HydrophobicContact CD2-CG 3.66Å; Y36-E58 WeakPolarHBondContact CD2-OE1 3.49Å; Y36-E58 WeakPolarHBondContact CD2-OE2 3.38Å; Y36-E58 HydrophobicContact CE2-CG 4.09Å; Y36-E58 HydrophobicContact CG-CB 4.08Å; Y36-E58 HydrophobicContact CG-CG 3.77Å; Y36-V59 PolarHBondContact N-O 3.48Å; Y36-Y60 HydrophobicContact CD1-CE1 4.08Å; Y36-H121 PolarHBondContact O-CE1 3.31Å; Y36-H121 PolarHBondContact O-ND1 3.49Å; Y36-G123 CarbonylContact O-C 3.56Å; Y36-G123 WeakPolarHBondContact O-CA 3.38Å
37I72.8Confident81.5Confident47 Ų4746.4 Ų46.424%0.24122%0.215CC..THydrogen-bonded Turntrans-91.4-49.1-177.9-55.2-61.1000112.1C35 Y60 H64 G123 A124 R125C35-I37 PolarHBondContact O-N 3.22Å; C35-I37 PolarHBondContact SG-N 3.17Å; C35-I37 VanDerWaalsContact SG-N 3.44Å; I37-Y60 HydrophobicContact CD1-CE1 4.22Å; I37-Y60 HydrophobicContact CG1-CD1 3.94Å; I37-Y60 HydrophobicContact CG1-CE1 3.86Å; I37-H64 HydrophobicContact CB-CB 4Å; I37-H64 HydrophobicContact CG1-CB 4.13Å; I37-H64 WeakPolarHBondContact CG2-CD2 3.3Å; I37-G123 WeakPolarHBondContact CA-O 3.37Å; I37-G123 VanDerWaalsContact O-O 3.1Å; I37-A124 WeakPolarHBondContact O-CA 3.35Å; I37-R125 PolarHBondContact O-N 2.9Å
38C68.7Low81.3Confident4 Ų446.9 Ų46.93%0.02722%0.222CC..THydrogen-bonded Turntrans-102.7-8.7-173.166.10000116.2C35 S40 H64 Y126 R304C35-C38 WeakPolarHBondContact CB-SG 3.2Å; C38-S40 PolarHBondContact O-N 3.47Å; C38-S40 VanDerWaalsContact O-N 3.15Å; C38-S40 WeakPolarHBondContact SG-CB 3.48Å; C38-S40 PolarHBondContact SG-OG 3.22Å; C38-H64 WeakPolarHBondContact CB-CE1 3.43Å; C38-H64 VanDerWaalsContact SG-CE1 3.58Å; C38-H64 PolarHBondContact SG-ND1 2.94Å; C38-Y126 HydrophobicContact CB-CD2 3.93Å; C38-Y126 HydrophobicContact CB-CE2 3.39Å; C38-R304 PolarHBondContact O-NH1 3.04Å
39G75.7Confident81.2Confident3 Ų348.5 Ų48.53%0.03123%0.229CC..  trans69.51.5-174.900000114.6K34 C35 R41 Y130K34-G39 WeakPolarHBondContact CB-O 3.43Å; K34-G39 VanDerWaalsContact CD-O 3.29Å; K34-G39 WeakPolarHBondContact CD-O 3.39Å; K34-G39 WeakPolarHBondContact CG-O 3.36Å; C35-G39 VanDerWaalsContact O-CA 3.32Å; C35-G39 WeakPolarHBondContact O-CA 3.46Å; C35-G39 PolarHBondContact O-N 2.86Å; G39-R41 PolarHBondContact O-N 3.06Å; G39-Y130 WeakPolarHBondContact O-CB 3.19Å
40S75Confident81Confident21 Ų2148.4 Ų48.415%0.14723%0.229CC..  trans-61137.1176.6-62.20000110.8K34 C35 C38 L42K34-S40 CarbonylContact C-O 3.52Å; K34-S40 WeakPolarHBondContact CA-O 3.45Å; C35-S40 PolarHBondContact N-O 2.88Å; C38-S40 PolarHBondContact O-N 3.47Å; C38-S40 VanDerWaalsContact O-N 3.15Å; C38-S40 WeakPolarHBondContact SG-CB 3.48Å; C38-S40 PolarHBondContact SG-OG 3.22Å; S40-L42 PolarHBondContact O-N 2.85Å
41R78.6Confident80.9Confident109 Ų10951.6 Ų51.641%0.41124%0.237SC..BIsolated β-bridgetrans-60.4134.1176.1-70-177.4179.2-160.7-8110.9K34 G39 D131K34-R41 HydrophobicContact CG-CG 4.25Å; G39-R41 PolarHBondContact O-N 3.06Å; R41-D131 IonicContact CZ-OD1 3.53Å; R41-D131 IonicContact CZ-OD2 3.06Å; R41-D131 IonicContact NE-OD1 3.9Å; R41-D131 PolarHBondContact NE-OD1 2.67Å; R41-D131 IonicContact NE-OD2 2.85Å; R41-D131 PolarHBondContact NE-OD2 3.06Å; R41-D131 VanDerWaalsContact NH2-CG 3.28Å; R41-D131 IonicContact NH2-OD1 3.19Å; R41-D131 PolarHBondContact NH2-OD1 3.49Å; R41-D131 IonicContact NH2-OD2 2.68Å; R41-D131 PolarHBondContact NH2-OD2 2.92Å
42L84.6Confident80.8Confident8 Ų854.9 Ų54.94%0.04225%0.254CS..  trans-104.5158.6175.4-59.7176.3000109.5F33 C35 S40 V59 C61F33-L42 HydrophobicContact CD1-CB 3.77Å; F33-L42 WeakPolarHBondContact CD1-O 3.31Å; F33-L42 HydrophobicContact CE1-CB 3.63Å; F33-L42 HydrophobicContact CG-CB 4.37Å; F33-L42 HydrophobicContact CZ-CB 4.1Å; F33-L42 PolarHBondContact O-N 2.92Å; C35-L42 HydrophobicContact CB-CD1 4.39Å; C35-L42 HydrophobicContact CB-CD2 4.27Å; C35-L42 HydrophobicContact CB-CG 4.46Å; S40-L42 PolarHBondContact O-N 2.85Å; L42-V59 HydrophobicContact CD1-CB 3.84Å; L42-V59 HydrophobicContact CD1-CG2 3.82Å; L42-C61 HydrophobicContact CD2-CB 3.69Å
43T84.5Confident80.5Confident70 Ų7061.8 Ų61.843%0.42928%0.279SS..  trans-125.4163.9168.868.60000107.7F33 R45 T46 Y47F33-T43 VanDerWaalsContact CE1-C 3.5Å; T43-R45 PolarHBondContact O-N 3.3Å; T43-R45 PolarHBondContact OG1-N 2.97Å; T43-T46 PolarHBondContact N-OG1 3.27Å; T43-T46 PolarHBondContact O-N 2.94Å; T43-T46 PolarHBondContact O-OG1 3.25Å; T43-T46 WeakPolarHBondContact OG1-CG2 3.46Å; T43-T46 PolarHBondContact OG1-N 2.7Å; T43-T46 PolarHBondContact OG1-OG1 3.44Å; T43-Y47 WeakPolarHBondContact O-CD1 3.36Å; T43-Y47 PolarHBondContact O-N 3.06Å
44L83.8Confident79.8Confident110 Ų11068.1 Ų68.158%0.57631%0.312SS*.THydrogen-bonded Turntrans-57.4-13175.4-67.2176.7000113.3V19 L22 Y47V19-L44 HydrophobicContact CG1-CD2 3.92Å; V19-L44 HydrophobicContact CG1-CG 4.44Å; L22-L44 HydrophobicContact CD2-CD2 3.75Å; L44-Y47 HydrophobicContact CB-CE1 4.47Å; L44-Y47 HydrophobicContact CD2-CE1 4.17Å; L44-Y47 WeakPolarHBondContact O-CD1 3.42Å; L44-Y47 WeakPolarHBondContact O-CE1 3.42Å
45R80.3Confident79.5Confident241 Ų24171.8 Ų71.891%0.90933%0.332SS*.THydrogen-bonded Turntrans-96-22.2174.7-63.2-176.5179.5-173.1-0.4114.1T43T43-R45 PolarHBondContact O-N 3.3Å; T43-R45 PolarHBondContact OG1-N 2.97Å
46T80.8Confident79.5Confident69 Ų6972.8 Ų72.842%0.42334%0.338SS..THydrogen-bonded Turntrans-112.9-8.9-17057.50000114T43T43-T46 PolarHBondContact N-OG1 3.27Å; T43-T46 PolarHBondContact O-N 2.94Å; T43-T46 PolarHBondContact O-OG1 3.25Å; T43-T46 WeakPolarHBondContact OG1-CG2 3.46Å; T43-T46 PolarHBondContact OG1-N 2.7Å; T43-T46 PolarHBondContact OG1-OG1 3.44Å
47Y88.2Confident79.7Confident68 Ų6873.1 Ų73.127%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-75.3149.1174.784.5-79.9000111.6L22 F33 T43 L44 H49 V59 Y60L22-Y47 HydrophobicContact CD2-CE1 4.22Å; L22-Y47 HydrophobicContact CD2-CE2 4.15Å; F33-Y47 HydrophobicContact CE2-CG 4.44Å; F33-Y47 AromaticContact CZ-CD1 3.86Å; F33-Y47 HydrophobicContact CZ-CD1 3.86Å; F33-Y47 HydrophobicContact CZ-CD2 4.37Å; F33-Y47 AromaticContact CZ-CG 3.69Å; F33-Y47 HydrophobicContact CZ-CG 3.69Å; T43-Y47 WeakPolarHBondContact O-CD1 3.36Å; T43-Y47 PolarHBondContact O-N 3.06Å; L44-Y47 HydrophobicContact CB-CE1 4.47Å; L44-Y47 HydrophobicContact CD2-CE1 4.17Å; L44-Y47 WeakPolarHBondContact O-CD1 3.42Å; L44-Y47 WeakPolarHBondContact O-CE1 3.42Å; Y47-H49 AromaticContact CD2-NE2 4Å; Y47-H49 AromaticContact CE2-CD2 3.52Å; Y47-H49 AromaticContact CE2-NE2 3.34Å; Y47-H49 VanDerWaalsContact CE2-NE2 3.34Å; Y47-H49 WeakPolarHBondContact CE2-NE2 3.19Å; Y47-V59 HydrophobicContact CD2-CG1 4.29Å; Y47-Y60 CarbonylContact C-O 3.49Å; Y47-Y60 WeakPolarHBondContact CA-O 3.1Å
48C86.6Confident80.4Confident36 Ų3672 Ų7224%0.24334%0.335CS..EExtended strand (participates in β ladder)trans-129.7141.3173.4-65.60000107.9Y60 V65C48-Y60 PolarHBondContact N-O 2.87Å; C48-Y60 PolarHBondContact O-N 2.68Å; C48-V65 HydrophobicContact CB-CB 3.66Å; C48-V65 HydrophobicContact CB-CG1 4.28Å; C48-V65 HydrophobicContact CB-CG2 3.67Å
49H85.3Confident81.3Confident35 Ų3571.9 Ų71.916%0.16233%0.334CS..EExtended strand (participates in β ladder)trans-96.2150.2168.2-75.3-59.3000109.9K23 Y47 R51 E58 V65K23-H49 WeakPolarHBondContact CB-NE2 3.27Å; Y47-H49 AromaticContact CD2-NE2 4Å; Y47-H49 AromaticContact CE2-CD2 3.52Å; Y47-H49 AromaticContact CE2-NE2 3.34Å; Y47-H49 VanDerWaalsContact CE2-NE2 3.34Å; Y47-H49 WeakPolarHBondContact CE2-NE2 3.19Å; H49-R51 PolarHBondContact O-N 2.89Å; H49-R51 VanDerWaalsContact O-N 3.09Å; H49-E58 PolarHBondContact ND1-O 2.87Å; H49-V65 VanDerWaalsContact O-CG2 3.28Å; H49-V65 WeakPolarHBondContact O-CG2 3.18Å
50N80.7Confident81.7Confident14 Ų1472.4 Ų72.48%0.07534%0.335CS..  trans-62112.8166.1-175.5-9.3000108.8N52 R53 D56 Y60 P66N50-N52 VanDerWaalsContact C-N 3.32Å; N50-N52 WeakPolarHBondContact OD1-CB 3.48Å; N50-N52 PolarHBondContact OD1-N 3.29Å; N50-R53 PolarHBondContact OD1-N 2.97Å; N50-D56 HydrophobicContact CB-CB 3.92Å; N50-D56 WeakPolarHBondContact CB-OD2 3.43Å; N50-D56 PolarHBondContact ND2-OD2 2.73Å; N50-Y60 HydrophobicContact CB-CE2 4.03Å; N50-P66 HydrophobicContact CB-CG 4.15Å
51R78.8Confident82.1Confident161 Ų16172.2 Ų72.261%0.60833%0.334SS*.SBendtrans-83.8-12.7-179.4-63.5-17771.7-177.2-1.6112.4H49H49-R51 PolarHBondContact O-N 2.89Å; H49-R51 VanDerWaalsContact O-N 3.09Å
52N74Confident82.1Confident73 Ų7371.7 Ų71.739%0.3934%0.342SS..SBendtrans-93.5-21.6-174.1-51.4-26000112N50 P66 Q67 A68N50-N52 VanDerWaalsContact C-N 3.32Å; N50-N52 WeakPolarHBondContact OD1-CB 3.48Å; N50-N52 PolarHBondContact OD1-N 3.29Å; N52-P66 PolarHBondContact ND2-O 3.42Å; N52-Q67 PolarHBondContact ND2-O 3.23Å; N52-A68 VanDerWaalsContact ND2-CA 3.31Å; N52-A68 WeakPolarHBondContact ND2-CA 3.28Å; N52-A68 PolarHBondContact ND2-N 3.03Å
53R75.4Confident81.5Confident149 Ų14976 Ų7656%0.56237%0.366SS*.  trans-124.8105.2180-132.5-160.5135.6154-7.3108.8K23 N50 D55 D56K23-R53 PolarHBondContact NZ-O 2.79Å; N50-R53 PolarHBondContact OD1-N 2.97Å; R53-D55 VanDerWaalsContact C-N 3.27Å; R53-D55 WeakPolarHBondContact CD-OD1 3.45Å; R53-D55 WeakPolarHBondContact CG-OD1 3.4Å; R53-D55 IonicContact CZ-OD1 3.63Å; R53-D55 IonicContact CZ-OD2 3.91Å; R53-D55 IonicContact NE-OD1 3.76Å; R53-D55 PolarHBondContact NE-OD1 3.19Å; R53-D55 IonicContact NE-OD2 3.08Å; R53-D55 PolarHBondContact NE-OD2 2.74Å; R53-D55 IonicContact NH2-OD2 3.72Å; R53-D55 PolarHBondContact NH2-OD2 2.96Å; R53-D55 PolarHBondContact O-N 3.49Å; R53-D56 HydrophobicContact CB-CB 3.83Å; R53-D56 WeakPolarHBondContact O-CB 3.35Å; R53-D56 PolarHBondContact O-N 3.05Å; R53-D56 VanDerWaalsContact O-N 3.16Å
54I74.5Confident81Confident136 Ų13673.8 Ų73.870%0.69735%0.35SS*.THydrogen-bonded Turntrans-69-29.3-175.2-63.4170.1000111.2K23 D56K23-I54 WeakPolarHBondContact CE-O 3.19Å; K23-I54 PolarHBondContact NZ-O 2.92Å; I54-D56 VanDerWaalsContact C-N 3.28Å; I54-D56 PolarHBondContact O-N 3.09Å
55D78.7Confident80.9Confident96 Ų9670 Ų7051%0.51333%0.332SS..THydrogen-bonded Turntrans-77.1-10.6174.465-37000113.8R53 Q57R53-D55 VanDerWaalsContact C-N 3.27Å; R53-D55 WeakPolarHBondContact CD-OD1 3.45Å; R53-D55 WeakPolarHBondContact CG-OD1 3.4Å; R53-D55 IonicContact CZ-OD1 3.63Å; R53-D55 IonicContact CZ-OD2 3.91Å; R53-D55 IonicContact NE-OD1 3.76Å; R53-D55 PolarHBondContact NE-OD1 3.19Å; R53-D55 IonicContact NE-OD2 3.08Å; R53-D55 PolarHBondContact NE-OD2 2.74Å; R53-D55 IonicContact NH2-OD2 3.72Å; R53-D55 PolarHBondContact NH2-OD2 2.96Å; R53-D55 PolarHBondContact O-N 3.49Å; D55-Q57 PolarHBondContact O-N 2.94Å
56D82.2Confident80.7Confident22 Ų2260.8 Ų60.812%0.11830%0.303CS..  trans-75.2109.8173.3-173.2-3000110.1K23 N50 R53 I54 E58 Y60K23-D56 PolarHBondContact NZ-O 2.86Å; N50-D56 HydrophobicContact CB-CB 3.92Å; N50-D56 WeakPolarHBondContact CB-OD2 3.43Å; N50-D56 PolarHBondContact ND2-OD2 2.73Å; R53-D56 HydrophobicContact CB-CB 3.83Å; R53-D56 WeakPolarHBondContact O-CB 3.35Å; R53-D56 PolarHBondContact O-N 3.05Å; R53-D56 VanDerWaalsContact O-N 3.16Å; I54-D56 VanDerWaalsContact C-N 3.28Å; I54-D56 PolarHBondContact O-N 3.09Å; D56-E58 WeakPolarHBondContact OD1-CB 3.24Å; D56-E58 PolarHBondContact OD1-N 2.88Å; D56-Y60 PolarHBondContact OD1-OH 2.79Å; D56-Y60 PolarHBondContact OD2-OH 3.3Å
57Q85Confident80.1Confident64 Ų6465.6 Ų65.630%0.29932%0.321SS..  trans-97.6-1.1-177.3-77.7-174.9-2.700112.5F7 D24 I26 D55F7-Q57 HydrophobicContact CE1-CB 4.29Å; F7-Q57 HydrophobicContact CE2-CB 3.92Å; F7-Q57 HydrophobicContact CZ-CB 3.64Å; D24-Q57 PolarHBondContact OD2-NE2 2.94Å; I26-Q57 HydrophobicContact CD1-CB 3.41Å; I26-Q57 VanDerWaalsContact CD1-CB 3.41Å; I26-Q57 HydrophobicContact CD1-CG 3.52Å; D55-Q57 PolarHBondContact O-N 2.94Å
58E87.1Confident78.6Confident24 Ų2464.6 Ų64.611%0.11233%0.327CS..  trans-77164177-79.5-69.8169.600112.5F7 R8 Y36 H49 D56 Y60F7-E58 HydrophobicContact CE1-CG 4.25Å; F7-E58 WeakPolarHBondContact CE1-OE1 3.42Å; R8-E58 IonicContact CZ-OE2 2.91Å; R8-E58 IonicContact NE-OE2 3.85Å; R8-E58 IonicContact NH2-OE2 2.76Å; R8-E58 PolarHBondContact NH2-OE2 2.84Å; Y36-E58 HydrophobicContact CD1-CG 4.3Å; Y36-E58 HydrophobicContact CD2-CB 4.44Å; Y36-E58 HydrophobicContact CD2-CG 3.66Å; Y36-E58 WeakPolarHBondContact CD2-OE1 3.49Å; Y36-E58 WeakPolarHBondContact CD2-OE2 3.38Å; Y36-E58 HydrophobicContact CE2-CG 4.09Å; Y36-E58 HydrophobicContact CG-CB 4.08Å; Y36-E58 HydrophobicContact CG-CG 3.77Å; H49-E58 PolarHBondContact ND1-O 2.87Å; D56-E58 WeakPolarHBondContact OD1-CB 3.24Å; D56-E58 PolarHBondContact OD1-N 2.88Å; E58-Y60 HydrophobicContact CB-CE2 3.88Å
59V88.1Confident76.6Confident0 Ų064.6 Ų64.60%033%0.332CS..EExtended strand (participates in β ladder)trans-119.8133.7-177.8-67.40000110.1L22 F28 F33 C35 Y36 L42 Y47L22-V59 HydrophobicContact CD1-CG1 4.12Å; F28-V59 HydrophobicContact CE1-CG2 4.36Å; F28-V59 HydrophobicContact CE2-CG1 4.08Å; F28-V59 HydrophobicContact CE2-CG2 4.32Å; F28-V59 HydrophobicContact CZ-CG1 4.29Å; F28-V59 HydrophobicContact CZ-CG2 4.01Å; F33-V59 HydrophobicContact CD2-CG2 4.08Å; F33-V59 HydrophobicContact CE2-CB 4.21Å; F33-V59 HydrophobicContact CE2-CG1 4Å; F33-V59 HydrophobicContact CE2-CG2 4.03Å; C35-V59 CarbonylContact C-O 3.49Å; C35-V59 WeakPolarHBondContact CA-O 3.45Å; Y36-V59 PolarHBondContact N-O 3.48Å; L42-V59 HydrophobicContact CD1-CB 3.84Å; L42-V59 HydrophobicContact CD1-CG2 3.82Å; Y47-V59 HydrophobicContact CD2-CG1 4.29Å
60Y84.2Confident74.8Confident15 Ų1569.2 Ų69.26%0.05937%0.365CS..EExtended strand (participates in β ladder)trans-121.6155.9-172.8-58.3-91.2000110.3Y36 I37 Y47 C48 N50 D56 E58 H64 P66Y36-Y60 HydrophobicContact CD1-CE1 4.08Å; I37-Y60 HydrophobicContact CD1-CE1 4.22Å; I37-Y60 HydrophobicContact CG1-CD1 3.94Å; I37-Y60 HydrophobicContact CG1-CE1 3.86Å; Y47-Y60 CarbonylContact C-O 3.49Å; Y47-Y60 WeakPolarHBondContact CA-O 3.1Å; C48-Y60 PolarHBondContact N-O 2.87Å; C48-Y60 PolarHBondContact O-N 2.68Å; N50-Y60 HydrophobicContact CB-CE2 4.03Å; D56-Y60 PolarHBondContact OD1-OH 2.79Å; D56-Y60 PolarHBondContact OD2-OH 3.3Å; E58-Y60 HydrophobicContact CB-CE2 3.88Å; Y60-H64 HydrophobicContact CD1-CB 4.45Å; Y60-H64 VanDerWaalsContact CD1-O 3.3Å; Y60-H64 WeakPolarHBondContact CD1-O 3.33Å; Y60-P66 HydrophobicContact CE1-CG 4.3Å
61C82.1Confident73.1Confident17 Ų1777.1 Ų77.112%0.11540%0.402CS..EExtended strand (participates in β ladder)trans-81.2165.9162.471.80000109.5C35 L42 N63 H64 V65C35-C61 HydrophobicContact CB-CB 4.08Å; C35-C61 PolarHBondContact SG-N 3.44Å; C35-C61 VanDerWaalsContact SG-N 3.36Å; L42-C61 HydrophobicContact CD2-CB 3.69Å; C61-N63 PolarHBondContact O-N 2.9Å; C61-N63 VanDerWaalsContact O-N 3.11Å; C61-H64 CarbonylContact O-C 3.45Å; C61-H64 PolarHBondContact O-N 3.44Å; C61-H64 PolarHBondContact SG-ND1 2.78Å; C61-V65 PolarHBondContact O-N 2.85Å
62V79.2Confident71.3Confident97 Ų9774.1 Ų74.159%0.58840%0.397SS*.THydrogen-bonded Turntrans-53.3-33.1178.3670000113.4H64 V65V62-H64 VanDerWaalsContact C-N 3.35Å; V62-V65 WeakPolarHBondContact O-CG1 3.42Å
63N72.4Confident69.4Low99 Ų9976.4 Ų76.453%0.52942%0.416SS..THydrogen-bonded Turntrans-78.2-18.1179.9-63-12.4000113.5C61 Q308C61-N63 PolarHBondContact O-N 2.9Å; C61-N63 VanDerWaalsContact O-N 3.11Å; N63-Q308 PolarHBondContact O-NE2 2.87Å
64H74.1Confident67.4Low24 Ų2477 Ų7711%0.11143%0.429CS..THydrogen-bonded Turntrans-118.10.8-175-71.2111.5000113.5C35 I37 C38 Y60 C61 V62 P66 Q308C35-H64 VanDerWaalsContact SG-CB 3.59Å; I37-H64 HydrophobicContact CB-CB 4Å; I37-H64 HydrophobicContact CG1-CB 4.13Å; I37-H64 WeakPolarHBondContact CG2-CD2 3.3Å; C38-H64 WeakPolarHBondContact CB-CE1 3.43Å; C38-H64 VanDerWaalsContact SG-CE1 3.58Å; C38-H64 PolarHBondContact SG-ND1 2.94Å; Y60-H64 HydrophobicContact CD1-CB 4.45Å; Y60-H64 VanDerWaalsContact CD1-O 3.3Å; Y60-H64 WeakPolarHBondContact CD1-O 3.33Å; C61-H64 CarbonylContact O-C 3.45Å; C61-H64 PolarHBondContact O-N 3.44Å; C61-H64 PolarHBondContact SG-ND1 2.78Å; V62-H64 VanDerWaalsContact C-N 3.35Å; H64-P66 WeakPolarHBondContact O-CD 3.29Å; H64-Q308 PolarHBondContact CD2-NE2 2.76Å; H64-Q308 VanDerWaalsContact NE2-CG 3.26Å; H64-Q308 WeakPolarHBondContact NE2-CG 3.32Å; H64-Q308 PolarHBondContact NE2-NE2 3.34Å; H64-Q308 VanDerWaalsContact NE2-NE2 3.13Å
65V81.4Confident65.5Low31 Ų3173.9 Ų73.919%0.18842%0.417CS..SBendtrans-63.2125.1175.766.90000108.8C48 H49 C61 V62 Q67C48-V65 HydrophobicContact CB-CB 3.66Å; C48-V65 HydrophobicContact CB-CG1 4.28Å; C48-V65 HydrophobicContact CB-CG2 3.67Å; H49-V65 VanDerWaalsContact O-CG2 3.28Å; H49-V65 WeakPolarHBondContact O-CG2 3.18Å; C61-V65 PolarHBondContact O-N 2.85Å; V62-V65 WeakPolarHBondContact O-CG1 3.42Å; V65-Q67 PolarHBondContact O-N 3.49Å
66P75.2Confident63.3Low47 Ų4778.2 Ų78.231%0.30543%0.434SS..PPolyproline II helixtrans-58121.8176.2-26.536.5000110.6N50 N52 Y60 H64N50-P66 HydrophobicContact CB-CG 4.15Å; N52-P66 PolarHBondContact ND2-O 3.42Å; Y60-P66 HydrophobicContact CE1-CG 4.3Å; H64-P66 WeakPolarHBondContact O-CD 3.29Å
67Q69.5Low60.8Low170 Ų17088.2 Ų88.279%0.79447%0.47SS*.PPolyproline II helixtrans-96.1148.9174.2-66.2-173.78.600110.3N52 V65N52-Q67 PolarHBondContact ND2-O 3.23Å; V65-Q67 PolarHBondContact O-N 3.49Å
68A55.7Low58.1Low47 Ų4789.8 Ų89.839%0.38849%0.488SS..PPolyproline II helixtrans-70.6141-176.400000109.9N52 D72N52-A68 VanDerWaalsContact ND2-CA 3.31Å; N52-A68 WeakPolarHBondContact ND2-CA 3.28Å; N52-A68 PolarHBondContact ND2-N 3.03Å; A68-D72 HydrophobicContact CB-CB 3.82Å
69G44.6Very low55.4Low35 Ų3595.6 Ų95.636%0.36152%0.52SS..PPolyproline II helixtrans-64160.8172.400000110.5H71 D72G69-H71 PolarHBondContact O-N 3.06Å; G69-D72 PolarHBondContact N-OD2 3.22Å; G69-D72 PolarHBondContact O-N 2.67Å
70P47.9Very low52.8Low132 Ų132103.8 Ų103.886%0.85756%0.563SS**THydrogen-bonded Turntrans-58-8-176.419.2-30000115.4
71H44.2Very low50.1Low181 Ų181111.5 Ų111.584%0.83861%0.605SS**THydrogen-bonded Turntrans-113.19.6179.2-68.6-67.1000115.1G69G69-H71 PolarHBondContact O-N 3.06Å
72D42.2Very low47.5Very low97 Ų97119.8 Ų119.852%0.51964%0.642SS.*SBendtrans-96.3134.4175.6-73.2-34.1000111.8A68 G69A68-D72 HydrophobicContact CB-CB 3.82Å; G69-D72 PolarHBondContact N-OD2 3.22Å; G69-D72 PolarHBondContact O-N 2.67Å
73P34.1Very low45Very low121 Ų121118.3 Ų118.379%0.78665%0.646SS**PPolyproline II helixtrans-70.1137.3-173.123.4-30.1000114
74I33Very low43Very low161 Ų161125.2 Ų125.283%0.82667%0.666SS**PPolyproline II helixtrans-72.8123-174.1-54.1167.5000110.9H76I74-H76 PolarHBondContact O-N 3.04Å
75P34.5Very low40.5Very low71 Ų71132.8 Ų132.846%0.46170%0.702SS.*PPolyproline II helixtrans-79.5123.1178.9-1126.8000112.6
76H31.9Very low37.8Very low188 Ų188136 Ų13687%0.8773%0.731SS**PPolyproline II helixtrans-55.5130.8176.2-98.7-85.1000112.7I74 S78I74-H76 PolarHBondContact O-N 3.04Å; H76-S78 PolarHBondContact O-N 2.82Å
77R29.7Very low35.5Very low231 Ų231141.5 Ų141.587%0.87276%0.758SS**  trans-72.6112.7171.1-73.5-178.2175.5-175.2-1.5109.5
78S29.3Very low33.4Very low97 Ų97137.5 Ų137.568%0.67875%0.749SS**  trans-149.5127.6162.4-1480000112.2H76H76-S78 PolarHBondContact O-N 2.82Å
79N29.6Very low31.8Very low146 Ų146142.3 Ų142.378%0.78177%0.768SS**  trans68.3101.7153.1-58.2-16.5000120.7
80L34.2Very low31.2Very low172 Ų172149.3 Ų149.390%0.90180%0.796SS**  trans-154.270.5147.1-108.8156.6000109.4
81L28Very low30.1Very low178 Ų178153.7 Ų153.793%0.93280%0.796SS**  trans-138.780.2164.9-85.3168.4000107.6
82Q27.3Very low29.3Very low191 Ų191152.6 Ų152.689%0.89380%0.796SS**  trans-153.4112.1167.4-99.1169-10.500103.1
83G26.2Very low28.6Very low66 Ų66151.4 Ų151.468%0.6881%0.807SS**  cis108.999.94000000106.2
84Y29.5Very low28.3Very low243 Ų243153.8 Ų153.895%0.95381%0.812SS**  trans-146.8128.6161.9-96-81.6000110.6
85E21.8Very low28Very low184 Ų184151.5 Ų151.586%0.8681%0.81SS**  trans-91.7159.7-171.3-61.9-175.6136.500112.7
86A25.4Very low27.8Very low97 Ų97153.5 Ų153.580%0.80282%0.823SS**  trans30.7120.8145.200000120
87D27.5Very low27.9Very low164 Ų164149.4 Ų149.488%0.87781%0.811SS**  -143152.9128.2-135.4-18000113
88S24.2Very low28.4Very low85 Ų85145.1 Ų145.159%0.59481%0.811SS**  trans-111161.1-153.854.40000113.1
89N23.4Very low28.5Very low148 Ų148142.8 Ų142.879%0.79180%0.802SS**  trans81.3102.5163.2-58.1-39.6000119.4
90L31.9Very low28.8Very low182 Ų182141.3 Ų141.395%0.95379%0.794SS**  -159.4143.7120.2-110135000112.2
91R24.8Very low28.8Very low224 Ų224140.8 Ų140.885%0.84579%0.789SS**  trans-75152.5-162.4-83.1169.2156.9179.3-5.8115.3
92N26.1Very low29.3Very low159 Ų159140.9 Ų140.985%0.8578%0.782SS**  trans36.9115.3140.3-65.6-5.2000119.6
93G27.2Very low29.8Very low71 Ų71136.6 Ų136.673%0.73276%0.764SS**  trans167.488.7155.400000113.9
94L28.6Very low30Very low172 Ų172139.8 Ų139.890%0.90176%0.761SS**  trans56.4111149.9-66.1156.7000118.5P96L94-P96 WeakPolarHBondContact O-CD 3.3Å
95S26.5Very low30.3Very low113 Ų113136.1 Ų136.179%0.7975%0.752SS**  trans-56.6132.9162.1176.60000112.2T97S95-T97 PolarHBondContact OG-N 3.43Å
96P30.4Very low31.1Very low113 Ų113130.6 Ų130.673%0.73474%0.738SS**  trans-120.5111.1132.522.7-5.8000109.9L94L94-P96 WeakPolarHBondContact O-CD 3.3Å
97T33.4Very low31.5Very low101 Ų101131.1 Ų131.162%0.6273%0.727SS**  trans23.4113.4146.5550000118.6S95 G99S95-T97 PolarHBondContact OG-N 3.43Å; T97-G99 PolarHBondContact O-N 2.97Å
98V40.2Very low31.9Very low142 Ų142128.2 Ų128.286%0.86171%0.712SS**THydrogen-bonded Turntrans-62.215.8178.3177.40000114.9
99G32.8Very low32.6Very low48 Ų48128.2 Ų128.250%0.49572%0.717SS.*THydrogen-bonded Turntrans-82.6-37.1178.800000114.6T97T97-G99 PolarHBondContact O-N 2.97Å
100D36.3Very low33.1Very low115 Ų115126.5 Ų126.562%0.61571%0.711SS**THydrogen-bonded Turntrans-90.2-18.2-164.7-71.4-29.4000114.6K102 I103D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.47Å; D100-I103 PolarHBondContact O-N 3.05Å
101M32.4Very low33.1Very low161 Ų161124.7 Ų124.779%0.79370%0.698SS**Hα-helixtrans-76.3-14.3-174.2-143.917069.700113.8
102K39.6Very low33.5Very low180 Ų180122.3 Ų122.378%0.78370%0.701SS**Hα-helixtrans-86.3-22174.3-75.3-176.4178.2176.90113.4D100D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.47Å
103I37Very low33.7Very low101 Ų101120.3 Ų120.352%0.51869%0.687SS.*Hα-helixtrans-82.9-38.2-177.1-58.4175.7000110.5D100 H105 A106 L107D100-I103 PolarHBondContact O-N 3.05Å; I103-H105 PolarHBondContact O-N 3.44Å; I103-A106 PolarHBondContact O-N 3.18Å; I103-L107 HydrophobicContact CG2-CD1 3.98Å; I103-L107 PolarHBondContact O-N 3.28Å
104Q31.1Very low33.8Very low132 Ų132125.8 Ų125.862%0.61769%0.691SS**Hα-helixtrans-66.1-35.8177.1-96.4-179.9-18.200113.6A106 L107 N108Q104-A106 PolarHBondContact O-N 3.17Å; Q104-L107 PolarHBondContact O-N 2.96Å; Q104-N108 WeakPolarHBondContact O-CB 3.48Å; Q104-N108 PolarHBondContact O-N 2.87Å
105H35.6Very low34Very low166 Ų166122.3 Ų122.377%0.76968%0.678SS**Hα-helixtrans-71-21.4177.7-132-76.2000112.8I103I103-H105 PolarHBondContact O-N 3.44Å
106A38.2Very low34.6Very low68 Ų68120 Ų12056%0.56265%0.653SS**Hα-helixtrans-83-37.4173.500000112.3I103 Q104I103-A106 PolarHBondContact O-N 3.18Å; Q104-A106 PolarHBondContact O-N 3.17Å
107L34.6Very low35Very low109 Ų109117.5 Ų117.557%0.57164%0.637SS**Hα-helixtrans-74.9-35.3178.1-76.6166000113I103 Q104 A109 T110I103-L107 HydrophobicContact CG2-CD1 3.98Å; I103-L107 PolarHBondContact O-N 3.28Å; Q104-L107 PolarHBondContact O-N 2.96Å; L107-A109 PolarHBondContact O-N 2.79Å; L107-T110 PolarHBondContact O-N 3.21Å; L107-T110 PolarHBondContact O-OG1 3.36Å
108N35.2Very low35.5Very low103 Ų103122.2 Ų122.255%0.55165%0.648SS**THydrogen-bonded Turntrans-71.6-11.3177-72.5-3.5000113.2Q104 T110Q104-N108 WeakPolarHBondContact O-CB 3.48Å; Q104-N108 PolarHBondContact O-N 2.87Å; N108-T110 PolarHBondContact O-N 3.1Å
109A38.8Very low35.7Very low85 Ų85117.9 Ų117.970%0.70262%0.62SS**THydrogen-bonded Turntrans-73.6-12.8169.800000112.9L107L107-A109 PolarHBondContact O-N 2.79Å
110T34.4Very low36.3Very low111 Ų111120.3 Ų120.368%0.68162%0.622SS**SBendtrans-99.5-8.417910.50000114.4L107 N108 L112L107-T110 PolarHBondContact O-N 3.21Å; L107-T110 PolarHBondContact O-OG1 3.36Å; N108-T110 PolarHBondContact O-N 3.1Å; T110-L112 PolarHBondContact O-N 3.46Å
111E31.6Very low37Very low145 Ų145115.8 Ų115.868%0.67860%0.597SS**SBendtrans-65.8122.9167.4-79.5-166.1153.800108.4Q113E111-Q113 PolarHBondContact O-N 3.44Å
112L32.9Very low37.5Very low173 Ų173114.2 Ų114.291%0.90660%0.599SS**  trans-51.285.9171.5-80.7135.3000109.5T110 K114T110-L112 PolarHBondContact O-N 3.46Å; L112-K114 PolarHBondContact O-N 2.96Å
113Q31.1Very low37.6Very low117 Ų117106.3 Ų106.355%0.54757%0.568SS.*  trans-51122.1163-76.8-171.2-26.200105.8E111 P115 Y116E111-Q113 PolarHBondContact O-N 3.44Å; Q113-P115 VanDerWaalsContact O-N 3.16Å; Q113-Y116 HydrophobicContact CB-CE2 4.47Å
114K29.3Very low38.2Very low187 Ų187103.1 Ų103.181%0.81356%0.557SS**  trans-39.6126.4175.4-68.7177.9178.4177.20107.6L112 Y116L112-K114 PolarHBondContact O-N 2.96Å; K114-Y116 PolarHBondContact O-N 2.95Å
115P33.7Very low39.7Very low99 Ų99103.4 Ų103.464%0.64355%0.552SS**  trans-55.4114.5-176.920-29.8000107.8Q113Q113-P115 VanDerWaalsContact O-N 3.16Å
116Y39Very low41.3Very low64 Ų6497.6 Ų97.625%0.25152%0.524SS..  trans-52.6146.6172.4-68.1-88.7000108.2D17 H29 Q113 K114 K118D17-Y116 PolarHBondContact OD1-OH 3.48Å; D17-Y116 WeakPolarHBondContact OD2-CE1 3.38Å; H29-Y116 HydrophobicContact CB-CE1 4.47Å; Q113-Y116 HydrophobicContact CB-CE2 4.47Å; K114-Y116 PolarHBondContact O-N 2.95Å; Y116-K118 PolarHBondContact O-N 3.12Å
117P38.6Very low43Very low61 Ų6197.2 Ų97.240%0.39651%0.512SS..  trans-49.4134.3174.3-17.525.1000109.5I119P117-I119 WeakPolarHBondContact O-CG1 3.49Å; P117-I119 PolarHBondContact O-N 3.11Å
118K42.6Very low45.1Very low199 Ų19992.3 Ų92.387%0.86549%0.487SS*.  trans-57.1114.2169.9-72.7-177.7177.9-178.60107.5Y116Y116-K118 PolarHBondContact O-N 3.12Å
119I45.9Very low47.3Very low52 Ų5290.6 Ų90.627%0.26748%0.477SS..  trans-100.9104.1176.4-64.1158.3000106.8R8 C9 C32 P117R8-I119 HydrophobicContact CG-CG2 4.11Å; C9-I119 HydrophobicContact CB-CD1 3.72Å; C9-I119 HydrophobicContact CB-CG1 4.22Å; C32-I119 HydrophobicContact CB-CD1 4.45Å; C32-I119 WeakPolarHBondContact SG-CD1 3.34Å; P117-I119 WeakPolarHBondContact O-CG1 3.49Å; P117-I119 PolarHBondContact O-N 3.11Å
120N45.2Very low49.4Very low99 Ų9988 Ų8853%0.52945%0.45SS..  trans-77.2120.4168.4-140.58.4000107.2Q247N120-Q247 PolarHBondContact ND2-OE1 2.96Å
121H51Low51.7Low20 Ų2083.9 Ų83.99%0.09342%0.423CS..  trans-119.6142.5174.95792.9000109.6Y36 G123 A124Y36-H121 PolarHBondContact O-CE1 3.31Å; Y36-H121 PolarHBondContact O-ND1 3.49Å; H121-G123 PolarHBondContact O-N 2.65Å; H121-G123 VanDerWaalsContact O-N 3.11Å; H121-A124 WeakPolarHBondContact CE1-CB 3.48Å; H121-A124 PolarHBondContact CE1-N 3.37Å; H121-A124 PolarHBondContact ND1-N 3.14Å; H121-A124 VanDerWaalsContact ND1-N 3.18Å; H121-A124 WeakPolarHBondContact O-CB 3.26Å; H121-A124 PolarHBondContact O-N 3.11Å; H121-A124 VanDerWaalsContact O-N 3.1Å
122P42.6Very low54.3Low128 Ų12878.6 Ų78.683%0.83140%0.404SS*.THydrogen-bonded Turntrans-64.9-19.6-17322-31000113.9
123G42.4Very low57Low14 Ų1470.6 Ų70.614%0.14436%0.362CS..THydrogen-bonded Turntrans-80-14.417600000115.5Y36 I37 H121 R125Y36-G123 CarbonylContact O-C 3.56Å; Y36-G123 WeakPolarHBondContact O-CA 3.38Å; I37-G123 WeakPolarHBondContact CA-O 3.37Å; I37-G123 VanDerWaalsContact O-O 3.1Å; H121-G123 PolarHBondContact O-N 2.65Å; H121-G123 VanDerWaalsContact O-N 3.11Å; G123-R125 PolarHBondContact O-N 3Å
124A49.6Very low59.7Low34 Ų3466.5 Ų66.528%0.28135%0.345SS..  trans-66.497-178.100000110I37 H121 Y126I37-A124 WeakPolarHBondContact O-CA 3.35Å; H121-A124 WeakPolarHBondContact CE1-CB 3.48Å; H121-A124 PolarHBondContact CE1-N 3.37Å; H121-A124 PolarHBondContact ND1-N 3.14Å; H121-A124 VanDerWaalsContact ND1-N 3.18Å; H121-A124 WeakPolarHBondContact O-CB 3.26Å; H121-A124 PolarHBondContact O-N 3.11Å; H121-A124 VanDerWaalsContact O-N 3.1Å; A124-Y126 PolarHBondContact O-N 2.89Å
125R61.1Low62.6Low138 Ų13864.5 Ų64.552%0.52133%0.332SS..  trans-70.2-20.8-179.1-165.1175.8178.6-172.2-1.5112.4I37 G123 Q308 C310I37-R125 PolarHBondContact O-N 2.9Å; G123-R125 PolarHBondContact O-N 3Å; R125-Q308 PolarHBondContact NH1-O 3.44Å; R125-C310 PolarHBondContact NH2-O 3.31Å
126Y69.9Low65.4Low44 Ų4461.1 Ų61.117%0.17331%0.309CS..SBendtrans-88.6131.6-178.9-61.3-85.6000111.5C38 A124 L128 R304 Q308C38-Y126 HydrophobicContact CB-CD2 3.93Å; C38-Y126 HydrophobicContact CB-CE2 3.39Å; A124-Y126 PolarHBondContact O-N 2.89Å; Y126-L128 PolarHBondContact O-N 3.1Å; Y126-R304 HydrophobicContact CD1-CG 4.3Å; Y126-R304 VanDerWaalsContact CD2-NH1 3.3Å; Y126-R304 HydrophobicContact CE1-CB 4.23Å; Y126-R304 HydrophobicContact CE1-CG 3.88Å; Y126-R304 HydrophobicContact CE2-CG 4.49Å; Y126-R304 VanDerWaalsContact CG-NH1 3.3Å; Y126-R304 PolarHBondContact OH-O 3.1Å; Y126-Q308 WeakPolarHBondContact OH-CA 3.5Å
127L73.2Confident67.9Low59 Ų5958.1 Ų58.131%0.30930%0.297SS..SBendtrans-57.2-33.3174.8178.762.8000113.2F237 A240 R241 N244L127-F237 HydrophobicContact CD2-CD1 3.82Å; L127-F237 HydrophobicContact CD2-CE1 4.49Å; L127-F237 HydrophobicContact CG-CD1 4.43Å; L127-A240 HydrophobicContact CD1-CB 4.42Å; L127-A240 HydrophobicContact CG-CB 4.28Å; L127-R241 HydrophobicContact CD1-CG 3.97Å; L127-R241 HydrophobicContact CD2-CG 3.39Å; L127-R241 HydrophobicContact CG-CG 4.21Å; L127-N244 WeakPolarHBondContact CD1-ND2 3.14Å
128L79.6Confident70.3Confident7 Ų760.2 Ų60.24%0.03731%0.305CS..SBendtrans-102.8133.6174.2-70.2-173.7000111.8Y126 Q133 L236 F237 A240 R304Y126-L128 PolarHBondContact O-N 3.1Å; L128-Q133 HydrophobicContact CD1-CB 4.49Å; L128-L236 HydrophobicContact CD1-CB 4.5Å; L128-L236 HydrophobicContact CD1-CD2 3.93Å; L128-L236 HydrophobicContact CD1-CG 3.95Å; L128-L236 HydrophobicContact CD2-CD2 4.5Å; L128-L236 HydrophobicContact CD2-CG 3.89Å; L128-F237 HydrophobicContact CB-CE1 4.49Å; L128-F237 HydrophobicContact CD1-CD1 3.83Å; L128-F237 HydrophobicContact CD1-CD2 3.45Å; L128-F237 VanDerWaalsContact CD1-CD2 3.45Å; L128-F237 HydrophobicContact CD1-CE1 3.75Å; L128-F237 HydrophobicContact CD1-CE2 3.34Å; L128-F237 HydrophobicContact CD1-CG 3.69Å; L128-F237 HydrophobicContact CD1-CZ 3.49Å; L128-F237 VanDerWaalsContact CD1-CZ 3.49Å; L128-F237 HydrophobicContact CG-CD1 3.75Å; L128-F237 HydrophobicContact CG-CD2 4.29Å; L128-F237 HydrophobicContact CG-CE1 3.74Å; L128-F237 HydrophobicContact CG-CE2 4.26Å; L128-F237 HydrophobicContact CG-CG 4.04Å; L128-F237 HydrophobicContact CG-CZ 3.99Å; L128-A240 HydrophobicContact CD2-CB 3.35Å; L128-R304 PolarHBondContact O-NH2 3.13Å
129D80.7Confident72.6Confident66 Ų6654.3 Ų54.335%0.35328%0.282SS..  trans-61.8141.8165.9174.168.6000110.5K34 D131 A132 Q133K34-D129 IonicContact NZ-OD1 3.46Å; K34-D129 PolarHBondContact NZ-OD1 3.15Å; K34-D129 VanDerWaalsContact NZ-OD1 3.1Å; K34-D129 IonicContact NZ-OD2 2.74Å; K34-D129 PolarHBondContact NZ-OD2 3.49Å; D129-D131 VanDerWaalsContact C-N 3.33Å; D129-D131 PolarHBondContact O-N 3.32Å; D129-D131 VanDerWaalsContact OD2-CB 3.3Å; D129-D131 WeakPolarHBondContact OD2-CB 3.38Å; D129-D131 PolarHBondContact OD2-N 2.79Å; D129-A132 HydrophobicContact CB-CB 4.44Å; D129-A132 PolarHBondContact O-N 3.09Å; D129-A132 PolarHBondContact OD2-N 2.85Å; D129-Q133 PolarHBondContact O-N 2.85Å
130Y82.5Confident74.7Confident32 Ų3251.9 Ų51.913%0.12527%0.269CS..Hα-helixtrans-55-46.9-179.3-176.6-91.6000111.9G39 A132 Q133 T134 T300 D301G39-Y130 WeakPolarHBondContact O-CB 3.19Å; Y130-A132 VanDerWaalsContact C-N 3.35Å; Y130-A132 PolarHBondContact O-N 2.95Å; Y130-Q133 PolarHBondContact O-N 2.92Å; Y130-T134 WeakPolarHBondContact CE1-OG1 3.31Å; Y130-T134 WeakPolarHBondContact O-CB 3.25Å; Y130-T134 PolarHBondContact O-N 3.38Å; Y130-T134 PolarHBondContact O-OG1 3.4Å; Y130-T300 HydrophobicContact CD2-CG2 4.04Å; Y130-T300 HydrophobicContact CE2-CG2 3.9Å; Y130-D301 VanDerWaalsContact CE2-OD1 3.23Å; Y130-D301 WeakPolarHBondContact CE2-OD1 3.39Å; Y130-D301 PolarHBondContact OH-OD1 3.29Å
131D82.9Confident76.7Confident23 Ų2349.5 Ų49.512%0.12325%0.253CS..Hα-helixtrans-70.1-33.4-174.4-63.2-14000112.2K34 R41 D129 R135K34-D131 WeakPolarHBondContact CE-OD2 3.16Å; K34-D131 IonicContact NZ-OD1 2.89Å; K34-D131 IonicContact NZ-OD2 3.61Å; K34-D131 PolarHBondContact NZ-OD2 3.43Å; R41-D131 IonicContact CZ-OD1 3.53Å; R41-D131 IonicContact CZ-OD2 3.06Å; R41-D131 IonicContact NE-OD1 3.9Å; R41-D131 PolarHBondContact NE-OD1 2.67Å; R41-D131 IonicContact NE-OD2 2.85Å; R41-D131 PolarHBondContact NE-OD2 3.06Å; R41-D131 VanDerWaalsContact NH2-CG 3.28Å; R41-D131 IonicContact NH2-OD1 3.19Å; R41-D131 PolarHBondContact NH2-OD1 3.49Å; R41-D131 IonicContact NH2-OD2 2.68Å; R41-D131 PolarHBondContact NH2-OD2 2.92Å; D129-D131 VanDerWaalsContact C-N 3.33Å; D129-D131 PolarHBondContact O-N 3.32Å; D129-D131 VanDerWaalsContact OD2-CB 3.3Å; D129-D131 WeakPolarHBondContact OD2-CB 3.38Å; D129-D131 PolarHBondContact OD2-N 2.79Å; D131-R135 WeakPolarHBondContact O-CB 3.45Å; D131-R135 PolarHBondContact O-N 3.29Å
132A85.9Confident78.3Confident34 Ų3454.5 Ų54.528%0.28128%0.276SS..Hα-helixtrans-64.3-46.9177.800000111D129 Y130 L136D129-A132 HydrophobicContact CB-CB 4.44Å; D129-A132 PolarHBondContact O-N 3.09Å; D129-A132 PolarHBondContact OD2-N 2.85Å; Y130-A132 VanDerWaalsContact C-N 3.35Å; Y130-A132 PolarHBondContact O-N 2.95Å; A132-L136 PolarHBondContact O-N 2.89Å
133Q89.6Confident80.5Confident5 Ų550.9 Ų50.92%0.02325%0.248CC..Hα-helixtrans-67.4-46.5177.9-169.1172.826.900111.6L128 D129 Y130 R135 L136 E137 M233 T300 Y367L128-Q133 HydrophobicContact CD1-CB 4.49Å; D129-Q133 PolarHBondContact O-N 2.85Å; Y130-Q133 PolarHBondContact O-N 2.92Å; Q133-R135 VanDerWaalsContact C-N 3.3Å; Q133-R135 PolarHBondContact O-N 3.36Å; Q133-L136 PolarHBondContact O-N 3.41Å; Q133-E137 PolarHBondContact O-N 2.93Å; Q133-M233 HydrophobicContact CG-SD 3.85Å; Q133-T300 HydrophobicContact CB-CG2 4.36Å; Q133-T300 HydrophobicContact CG-CG2 4.2Å; Q133-Y367 HydrophobicContact CG-CD1 4.44Å; Q133-Y367 PolarHBondContact NE2-O 2.93Å
134T88.9Confident82.6Confident31 Ų3150.3 Ų50.319%0.1924%0.242CC..Hα-helixtrans-62.6-35.4178-57.70000112.2Y130 E137 L138Y130-T134 WeakPolarHBondContact CE1-OG1 3.31Å; Y130-T134 WeakPolarHBondContact O-CB 3.25Å; Y130-T134 PolarHBondContact O-N 3.38Å; Y130-T134 PolarHBondContact O-OG1 3.4Å; T134-E137 PolarHBondContact O-N 2.57Å; T134-L138 HydrophobicContact CG2-CD1 4.46Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.39Å; T134-L138 PolarHBondContact O-N 3.11Å
135R90Very high84.2Confident145 Ų14551.4 Ų51.455%0.54724%0.243SC..Hα-helixtrans-63.3-43.4175-176.4-176.2-62.5164.81.5111.7D131 Q133 L138 I139D131-R135 WeakPolarHBondContact O-CB 3.45Å; D131-R135 PolarHBondContact O-N 3.29Å; Q133-R135 VanDerWaalsContact C-N 3.3Å; Q133-R135 PolarHBondContact O-N 3.36Å; R135-L138 PolarHBondContact O-N 3.39Å; R135-I139 WeakPolarHBondContact O-CG1 3.32Å; R135-I139 PolarHBondContact O-N 2.93Å
136L92.3Very high85.4Confident28 Ų2847.9 Ų47.915%0.14723%0.234CC..Hα-helixtrans-67.3-41.3176.8-176.358.1000111.1A132 Q133 L138 I139 H140 E232 M233 L236A132-L136 PolarHBondContact O-N 2.89Å; Q133-L136 PolarHBondContact O-N 3.41Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 PolarHBondContact O-N 2.91Å; L136-I139 WeakPolarHBondContact O-CB 3.19Å; L136-I139 PolarHBondContact O-N 3.18Å; L136-I139 VanDerWaalsContact O-N 3.12Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.48Å; L136-H140 PolarHBondContact O-N 3.27Å; L136-E232 HydrophobicContact CD2-CB 4.4Å; L136-M233 HydrophobicContact CD2-CB 4.44Å; L136-M233 HydrophobicContact CD2-CE 4.03Å; L136-M233 HydrophobicContact CD2-SD 4.02Å; L136-M233 HydrophobicContact CG-CE 4.16Å; L136-L236 HydrophobicContact CB-CD2 4.34Å; L136-L236 HydrophobicContact CD2-CB 4.19Å; L136-L236 HydrophobicContact CD2-CD2 3.99Å
137E91.3Very high86.2Confident2 Ų246.5 Ų46.51%0.00923%0.23CC..Hα-helixtrans-57-41.8173.3176.6168.3-172.300112.1Q133 T134 I139 H140 R141 S298 F299 T300 Y367Q133-E137 PolarHBondContact O-N 2.93Å; T134-E137 PolarHBondContact O-N 2.57Å; E137-I139 VanDerWaalsContact C-N 3.33Å; E137-I139 PolarHBondContact O-N 3.41Å; E137-H140 WeakPolarHBondContact O-CB 3.35Å; E137-H140 PolarHBondContact O-N 3.03Å; E137-R141 WeakPolarHBondContact O-CG 3.24Å; E137-R141 PolarHBondContact O-N 2.81Å; E137-R141 IonicContact OE1-CZ 3.76Å; E137-R141 IonicContact OE1-NE 3.34Å; E137-R141 IonicContact OE1-NH2 2.76Å; E137-R141 PolarHBondContact OE1-NH2 3.12Å; E137-S298 WeakPolarHBondContact OE1-CA 3.07Å; E137-S298 VanDerWaalsContact OE1-CB 3.28Å; E137-S298 WeakPolarHBondContact OE1-CB 2.87Å; E137-F299 WeakPolarHBondContact OE1-CD2 3.46Å; E137-F299 PolarHBondContact OE1-N 3.45Å; E137-T300 WeakPolarHBondContact OE2-CB 3.12Å; E137-T300 PolarHBondContact OE2-N 3.44Å; E137-T300 VanDerWaalsContact OE2-N 3.11Å; E137-T300 PolarHBondContact OE2-OG1 2.97Å; E137-Y367 HydrophobicContact CB-CE1 3.96Å; E137-Y367 WeakPolarHBondContact CB-OH 3.23Å; E137-Y367 HydrophobicContact CG-CE1 4.07Å; E137-Y367 VanDerWaalsContact CG-OH 3.25Å; E137-Y367 WeakPolarHBondContact CG-OH 3.19Å
138L88.8Confident86.8Confident105 Ų10546.4 Ų46.455%0.5523%0.226SC..Hα-helixtrans-62-38.8176.2-73.9168.4000112.6T134 R135 L136 R141 Q142T134-L138 HydrophobicContact CG2-CD1 4.46Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.39Å; T134-L138 PolarHBondContact O-N 3.11Å; R135-L138 PolarHBondContact O-N 3.39Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 PolarHBondContact O-N 2.91Å; L138-R141 PolarHBondContact O-N 3.39Å; L138-Q142 PolarHBondContact O-N 2.66Å; L138-Q142 VanDerWaalsContact O-N 3.12Å
139I91.3Very high87.1Confident74 Ų7453.1 Ų53.138%0.37925%0.251SS..Hα-helixtrans-65.7-43.5174.7-65167.2000110.2R135 L136 E137 R141 Q142 Q143R135-I139 WeakPolarHBondContact O-CG1 3.32Å; R135-I139 PolarHBondContact O-N 2.93Å; L136-I139 WeakPolarHBondContact O-CB 3.19Å; L136-I139 PolarHBondContact O-N 3.18Å; L136-I139 VanDerWaalsContact O-N 3.12Å; E137-I139 VanDerWaalsContact C-N 3.33Å; E137-I139 PolarHBondContact O-N 3.41Å; I139-R141 PolarHBondContact O-N 3.42Å; I139-Q142 PolarHBondContact O-N 2.82Å; I139-Q143 WeakPolarHBondContact O-CG 3.36Å; I139-Q143 PolarHBondContact O-N 2.97Å; I139-Q143 VanDerWaalsContact O-N 3.08Å
140H90.9Very high87.5Confident1 Ų158.6 Ų58.61%0.00527%0.266CS..Hα-helixtrans-59.4-44.9176.5-69.6174.9000111.8L136 E137 Q142 Q143 E144 Q229 E232L136-H140 WeakPolarHBondContact CD1-NE2 3.48Å; L136-H140 PolarHBondContact O-N 3.27Å; E137-H140 WeakPolarHBondContact O-CB 3.35Å; E137-H140 PolarHBondContact O-N 3.03Å; H140-Q142 PolarHBondContact O-N 3.08Å; H140-Q143 WeakPolarHBondContact O-CB 3.46Å; H140-Q143 PolarHBondContact O-N 3.08Å; H140-Q143 VanDerWaalsContact O-N 3.14Å; H140-E144 PolarHBondContact O-N 3.49Å; H140-Q229 HydrophobicContact CB-CG 4.14Å; H140-Q229 PolarHBondContact CE1-O 2.89Å; H140-Q229 PolarHBondContact O-NE2 3.31Å; H140-Q229 VanDerWaalsContact O-NE2 3.1Å; H140-E232 IonicContact CD2-OE2 2.95Å; H140-E232 PolarHBondContact CD2-OE2 3.1Å; H140-E232 IonicContact CE1-OE2 3.5Å; H140-E232 IonicContact NE2-OE2 3.54Å; H140-E232 PolarHBondContact NE2-OE2 3.2Å
141R86Confident87.8Confident49 Ų4958 Ų5819%0.18526%0.264CS..Hα-helixtrans-59.1-43.8174.7-69.8-178.9-170.5-158.7-2112.6E137 L138 I139 Q143 E144 D145 R297 N341E137-R141 WeakPolarHBondContact O-CG 3.24Å; E137-R141 PolarHBondContact O-N 2.81Å; E137-R141 IonicContact OE1-CZ 3.76Å; E137-R141 IonicContact OE1-NE 3.34Å; E137-R141 IonicContact OE1-NH2 2.76Å; E137-R141 PolarHBondContact OE1-NH2 3.12Å; L138-R141 PolarHBondContact O-N 3.39Å; I139-R141 PolarHBondContact O-N 3.42Å; R141-Q143 VanDerWaalsContact C-N 3.28Å; R141-Q143 PolarHBondContact O-N 3.26Å; R141-E144 PolarHBondContact O-N 3.2Å; R141-D145 PolarHBondContact O-N 3.49Å; R141-R297 PolarHBondContact NH2-O 3.42Å; R141-N341 HydrophobicContact CG-CB 4.12Å
142Q85Confident87.9Confident125 Ų12559.3 Ų59.358%0.58428%0.275SS*.Hα-helixtrans-62.6-36.4177.3-170179.924.200112.2L138 I139 H140 N146L138-Q142 PolarHBondContact O-N 2.66Å; L138-Q142 VanDerWaalsContact O-N 3.12Å; I139-Q142 PolarHBondContact O-N 2.82Å; H140-Q142 PolarHBondContact O-N 3.08Å; Q142-N146 WeakPolarHBondContact O-CB 3.28Å; Q142-N146 PolarHBondContact O-N 2.94Å; Q142-N146 VanDerWaalsContact O-N 3.15Å; Q142-N146 PolarHBondContact O-ND2 3.48Å; Q142-N146 VanDerWaalsContact O-ND2 3.08Å
143Q88.4Confident88.2Confident53 Ų5364 Ų6425%0.24829%0.291CS..Hα-helixtrans-66.1-42.9174.5-65.8168.9-3.500111.6I139 H140 R141 N146 M147 L225I139-Q143 WeakPolarHBondContact O-CG 3.36Å; I139-Q143 PolarHBondContact O-N 2.97Å; I139-Q143 VanDerWaalsContact O-N 3.08Å; H140-Q143 WeakPolarHBondContact O-CB 3.46Å; H140-Q143 PolarHBondContact O-N 3.08Å; H140-Q143 VanDerWaalsContact O-N 3.14Å; R141-Q143 VanDerWaalsContact C-N 3.28Å; R141-Q143 PolarHBondContact O-N 3.26Å; Q143-N146 PolarHBondContact O-N 2.77Å; Q143-M147 PolarHBondContact O-N 3.47Å; Q143-L225 HydrophobicContact CB-CD1 4.31Å
144E86.8Confident88.2Confident2 Ų268.2 Ų68.21%0.00931%0.311CS..Hα-helixtrans-63-48176.4-74.4169.5-132.500111.8H140 R141 N146 M147 Y148 L225 Q229 N341 R363H140-E144 PolarHBondContact O-N 3.49Å; R141-E144 PolarHBondContact O-N 3.2Å; E144-N146 VanDerWaalsContact C-N 3.29Å; E144-N146 PolarHBondContact O-N 2.78Å; E144-M147 WeakPolarHBondContact O-CA 3.25Å; E144-M147 WeakPolarHBondContact O-CB 3.34Å; E144-M147 PolarHBondContact O-N 2.9Å; E144-Y148 HydrophobicContact CB-CD2 4.39Å; E144-Y148 HydrophobicContact CB-CE2 4.12Å; E144-Y148 WeakPolarHBondContact O-CD2 3.48Å; E144-Y148 PolarHBondContact O-N 3.25Å; E144-L225 HydrophobicContact CG-CD2 3.82Å; E144-Q229 PolarHBondContact OE1-NE2 3.47Å; E144-Q229 PolarHBondContact OE1-OE1 3.01Å; E144-Q229 VanDerWaalsContact OE1-OE1 3.05Å; E144-N341 WeakPolarHBondContact CB-OD1 3.46Å; E144-R363 IonicContact OE1-CZ 3.12Å; E144-R363 IonicContact OE1-NH1 3.32Å; E144-R363 PolarHBondContact OE1-NH1 3.23Å; E144-R363 IonicContact OE1-NH2 2.63Å; E144-R363 PolarHBondContact OE1-NH2 3.3Å; E144-R363 IonicContact OE2-CZ 2.96Å; E144-R363 IonicContact OE2-NH1 3.54Å; E144-R363 PolarHBondContact OE2-NH1 2.99Å; E144-R363 IonicContact OE2-NH2 3.91Å; E144-R363 PolarHBondContact OE2-NH2 3.24Å; E144-R363 VanDerWaalsContact OE2-NH2 3.16Å
145D82.8Confident88.2Confident56 Ų5671.5 Ų71.530%0.29932%0.32SS..Hα-helixtrans-56.4-44.7175.9-76.4-17000111.9R141 M147 Y148 R149 N341R141-D145 PolarHBondContact O-N 3.49Å; D145-M147 VanDerWaalsContact C-N 3.31Å; D145-M147 PolarHBondContact O-N 3.48Å; D145-Y148 PolarHBondContact O-N 3.49Å; D145-R149 VanDerWaalsContact O-CG 3.28Å; D145-R149 WeakPolarHBondContact O-CG 3.45Å; D145-R149 PolarHBondContact O-N 3.2Å; D145-N341 PolarHBondContact OD1-ND2 3.21Å
146N87Confident88.3Confident65 Ų6569.6 Ų69.635%0.34832%0.319SS..Hα-helixtrans-64.2-37.2177.3-74.1-28.2000111.9Q142 Q143 E144 R150Q142-N146 WeakPolarHBondContact O-CB 3.28Å; Q142-N146 PolarHBondContact O-N 2.94Å; Q142-N146 VanDerWaalsContact O-N 3.15Å; Q142-N146 PolarHBondContact O-ND2 3.48Å; Q142-N146 VanDerWaalsContact O-ND2 3.08Å; Q143-N146 PolarHBondContact O-N 2.77Å; E144-N146 VanDerWaalsContact C-N 3.29Å; E144-N146 PolarHBondContact O-N 2.78Å; N146-R150 WeakPolarHBondContact O-CG 3.35Å; N146-R150 PolarHBondContact O-N 3.01Å
147M87.2Confident88.3Confident15 Ų1572 Ų727%0.07433%0.33CS..Hα-helixtrans-65.3-50.1175-179.7-1707100111.3Q143 E144 D145 R149 R150 F151 I221 T222 L225Q143-M147 PolarHBondContact O-N 3.47Å; E144-M147 WeakPolarHBondContact O-CA 3.25Å; E144-M147 WeakPolarHBondContact O-CB 3.34Å; E144-M147 PolarHBondContact O-N 2.9Å; D145-M147 VanDerWaalsContact C-N 3.31Å; D145-M147 PolarHBondContact O-N 3.48Å; M147-R149 VanDerWaalsContact C-N 3.32Å; M147-R149 PolarHBondContact O-N 2.93Å; M147-R150 WeakPolarHBondContact O-CB 3.4Å; M147-R150 PolarHBondContact O-N 3.26Å; M147-R150 VanDerWaalsContact O-N 3.09Å; M147-F151 HydrophobicContact CE-CE2 3.82Å; M147-F151 HydrophobicContact CE-CZ 4.21Å; M147-F151 HydrophobicContact CG-CD2 4.44Å; M147-F151 HydrophobicContact CG-CE1 3.93Å; M147-F151 HydrophobicContact CG-CE2 3.78Å; M147-F151 HydrophobicContact CG-CZ 3.47Å; M147-F151 VanDerWaalsContact CG-CZ 3.47Å; M147-F151 PolarHBondContact O-N 3.09Å; M147-F151 HydrophobicContact SD-CE2 3.96Å; M147-F151 HydrophobicContact SD-CZ 3.71Å; M147-I221 HydrophobicContact CG-CG2 4.2Å; M147-I221 HydrophobicContact SD-CG2 3.89Å; M147-T222 HydrophobicContact CE-CG2 3.94Å; M147-T222 WeakPolarHBondContact CE-OG1 3.44Å; M147-L225 HydrophobicContact CB-CD2 4.25Å; M147-L225 HydrophobicContact CE-CD2 4.07Å; M147-L225 HydrophobicContact SD-CB 4.22Å; M147-L225 HydrophobicContact SD-CD2 3.59Å; M147-L225 VanDerWaalsContact SD-CD2 3.59Å
148Y85.2Confident88.3Confident57 Ų5773 Ų7322%0.22434%0.336CS..Hα-helixtrans-65-33.8-179.9-68.8-60.4000112.7E144 D145 R150 F151 S152 E355E144-Y148 HydrophobicContact CB-CD2 4.39Å; E144-Y148 HydrophobicContact CB-CE2 4.12Å; E144-Y148 WeakPolarHBondContact O-CD2 3.48Å; E144-Y148 PolarHBondContact O-N 3.25Å; D145-Y148 PolarHBondContact O-N 3.49Å; Y148-R150 VanDerWaalsContact C-N 3.34Å; Y148-R150 PolarHBondContact O-N 3.37Å; Y148-F151 AromaticContact CD1-CD2 3.84Å; Y148-F151 HydrophobicContact CD1-CD2 3.84Å; Y148-F151 HydrophobicContact CD1-CE2 4.2Å; Y148-F151 HydrophobicContact CE1-CD2 4.38Å; Y148-F151 HydrophobicContact CE1-CE2 4.37Å; Y148-F151 PolarHBondContact O-N 3.1Å; Y148-S152 PolarHBondContact O-N 2.64Å; Y148-E355 PolarHBondContact OH-OE1 3.49Å
149R84.9Confident88.5Confident148 Ų14872.7 Ų72.756%0.55833%0.331SS*.Hα-helixtrans-60-43.6170.7-74.3178.6-147169.96.3111.9D145 M147 S152 Q153D145-R149 VanDerWaalsContact O-CG 3.28Å; D145-R149 WeakPolarHBondContact O-CG 3.45Å; D145-R149 PolarHBondContact O-N 3.2Å; M147-R149 VanDerWaalsContact C-N 3.32Å; M147-R149 PolarHBondContact O-N 2.93Å; R149-S152 PolarHBondContact O-N 3.33Å; R149-Q153 WeakPolarHBondContact O-CG 3.47Å; R149-Q153 PolarHBondContact O-N 2.78Å
150R89.5Confident88.7Confident181 Ų18176.1 Ų76.168%0.68334%0.339SS*.Hα-helixtrans-64.3-42176.5-71.4174.1-179.5175.70.3111.8N146 M147 Y148 S152 Q153 Q154N146-R150 WeakPolarHBondContact O-CG 3.35Å; N146-R150 PolarHBondContact O-N 3.01Å; M147-R150 WeakPolarHBondContact O-CB 3.4Å; M147-R150 PolarHBondContact O-N 3.26Å; M147-R150 VanDerWaalsContact O-N 3.09Å; Y148-R150 VanDerWaalsContact C-N 3.34Å; Y148-R150 PolarHBondContact O-N 3.37Å; R150-S152 VanDerWaalsContact C-N 3.33Å; R150-S152 PolarHBondContact O-N 3.47Å; R150-Q153 PolarHBondContact O-N 3.13Å; R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 PolarHBondContact O-N 3.49Å
151F88.2Confident88.8Confident20 Ų2080.8 Ų80.89%0.08836%0.361CS..Hα-helixtrans-58.1-46.8173.2-66.1-15.5000111.4M147 Y148 Q153 Q154 R155 E218 I221M147-F151 HydrophobicContact CE-CE2 3.82Å; M147-F151 HydrophobicContact CE-CZ 4.21Å; M147-F151 HydrophobicContact CG-CD2 4.44Å; M147-F151 HydrophobicContact CG-CE1 3.93Å; M147-F151 HydrophobicContact CG-CE2 3.78Å; M147-F151 HydrophobicContact CG-CZ 3.47Å; M147-F151 VanDerWaalsContact CG-CZ 3.47Å; M147-F151 PolarHBondContact O-N 3.09Å; M147-F151 HydrophobicContact SD-CE2 3.96Å; M147-F151 HydrophobicContact SD-CZ 3.71Å; Y148-F151 AromaticContact CD1-CD2 3.84Å; Y148-F151 HydrophobicContact CD1-CD2 3.84Å; Y148-F151 HydrophobicContact CD1-CE2 4.2Å; Y148-F151 HydrophobicContact CE1-CD2 4.38Å; Y148-F151 HydrophobicContact CE1-CE2 4.37Å; Y148-F151 PolarHBondContact O-N 3.1Å; F151-Q153 PolarHBondContact O-N 2.96Å; F151-Q154 PolarHBondContact O-N 2.92Å; F151-R155 WeakPolarHBondContact O-CG 3.33Å; F151-R155 PolarHBondContact O-N 2.8Å; F151-E218 HydrophobicContact CB-CG 4.26Å; F151-E218 HydrophobicContact CD1-CG 4.01Å; F151-E218 HydrophobicContact CD2-CB 4.04Å; F151-E218 HydrophobicContact CD2-CG 3.67Å; F151-E218 HydrophobicContact CE1-CG 4.24Å; F151-E218 HydrophobicContact CE2-CB 3.83Å; F151-E218 HydrophobicContact CE2-CG 3.93Å; F151-E218 HydrophobicContact CG-CG 3.73Å; F151-E218 HydrophobicContact CZ-CB 4.13Å; F151-E218 HydrophobicContact CZ-CG 4.21Å; F151-I221 HydrophobicContact CE1-CB 4.09Å; F151-I221 HydrophobicContact CE1-CD1 3.84Å; F151-I221 HydrophobicContact CE1-CG2 3.89Å; F151-I221 HydrophobicContact CZ-CB 3.81Å; F151-I221 HydrophobicContact CZ-CD1 4.4Å; F151-I221 HydrophobicContact CZ-CG2 3.7Å
152S86.1Confident89.1Confident49 Ų4979 Ų7934%0.34336%0.355SS..Hα-helixtrans-60.6-44.2178.2-1650000112.5Y148 R149 R150 R155 I156Y148-S152 PolarHBondContact O-N 2.64Å; R149-S152 PolarHBondContact O-N 3.33Å; R150-S152 VanDerWaalsContact C-N 3.33Å; R150-S152 PolarHBondContact O-N 3.47Å; S152-R155 PolarHBondContact O-N 2.79Å; S152-I156 WeakPolarHBondContact O-CG1 3.44Å; S152-I156 PolarHBondContact O-N 2.77Å; S152-I156 VanDerWaalsContact O-N 3.16Å
153Q91.1Very high89.4Confident133 Ų13376.1 Ų76.162%0.62135%0.345SS*.Hα-helixtrans-62.7-44.9177.1-73.3172.6-13.900111.7R149 R150 F151 R155 I156 E157R149-Q153 WeakPolarHBondContact O-CG 3.47Å; R149-Q153 PolarHBondContact O-N 2.78Å; R150-Q153 PolarHBondContact O-N 3.13Å; F151-Q153 PolarHBondContact O-N 2.96Å; Q153-R155 PolarHBondContact O-N 3.44Å; Q153-I156 PolarHBondContact O-N 3.44Å; Q153-E157 PolarHBondContact O-N 3.42Å
154Q90Very high89.7Confident93 Ų9378.4 Ų78.444%0.43536%0.356SS..Hα-helixtrans-63-41.6178.4-16868.544.700111.9R150 F151 I156 E157 D158R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 PolarHBondContact O-N 3.49Å; F151-Q154 PolarHBondContact O-N 2.92Å; Q154-I156 PolarHBondContact O-N 2.87Å; Q154-E157 PolarHBondContact O-N 3.2Å; Q154-D158 PolarHBondContact NE2-OD1 3.27Å; Q154-D158 WeakPolarHBondContact O-CB 3.29Å; Q154-D158 VanDerWaalsContact O-CG 3.29Å; Q154-D158 PolarHBondContact O-N 2.92Å
155R88.9Confident90Very high100 Ų10082.8 Ų82.838%0.37738%0.377SS..Hα-helixtrans-61.4-43.2176.9-72.5-172.2-57.2-154.86.9112.1F151 S152 Q153 E157 E159 W214 E218F151-R155 WeakPolarHBondContact O-CG 3.33Å; F151-R155 PolarHBondContact O-N 2.8Å; S152-R155 PolarHBondContact O-N 2.79Å; Q153-R155 PolarHBondContact O-N 3.44Å; R155-E157 VanDerWaalsContact C-N 3.34Å; R155-E159 WeakPolarHBondContact O-CB 3.49Å; R155-E159 PolarHBondContact O-N 3.2Å; R155-W214 HydrophobicContact CB-CZ3 4.39Å; R155-W214 HydrophobicContact CG-CD2 4.26Å; R155-W214 HydrophobicContact CG-CE3 3.9Å; R155-W214 HydrophobicContact CG-CZ3 4.26Å; R155-E218 WeakPolarHBondContact CD-OE1 3.25Å; R155-E218 IonicContact CZ-OE1 3.38Å; R155-E218 IonicContact NE-OE1 3.58Å; R155-E218 IonicContact NH1-OE1 3.9Å; R155-E218 IonicContact NH1-OE2 3.81Å
156I92.3Very high90.3Very high105 Ų10580.9 Ų80.954%0.53837%0.368SS..Hα-helixtrans-63.1-43.5177.5-67.6165.3000110.6S152 Q153 Q154 R160S152-I156 WeakPolarHBondContact O-CG1 3.44Å; S152-I156 PolarHBondContact O-N 2.77Å; S152-I156 VanDerWaalsContact O-N 3.16Å; Q153-I156 PolarHBondContact O-N 3.44Å; Q154-I156 PolarHBondContact O-N 2.87Å; I156-R160 WeakPolarHBondContact O-CB 3.33Å; I156-R160 PolarHBondContact O-N 3.02Å
157E93.4Very high90.5Very high78 Ų7883 Ų8336%0.36437%0.374SS..Hα-helixtrans-63.2-53.5178.7-177.460.6-152.500111.9Q153 Q154 R155 E159 R160 Q161Q153-E157 PolarHBondContact O-N 3.42Å; Q154-E157 PolarHBondContact O-N 3.2Å; R155-E157 VanDerWaalsContact C-N 3.34Å; E157-E159 VanDerWaalsContact C-N 3.33Å; E157-E159 PolarHBondContact O-N 2.94Å; E157-R160 WeakPolarHBondContact O-CB 3.43Å; E157-R160 PolarHBondContact O-N 2.9Å; E157-R160 IonicContact OE1-CZ 3.49Å; E157-R160 IonicContact OE1-NH1 3.6Å; E157-R160 IonicContact OE1-NH2 3.46Å; E157-R160 PolarHBondContact OE1-NH2 3.36Å; E157-R160 IonicContact OE2-CZ 2.85Å; E157-R160 IonicContact OE2-NH1 3.1Å; E157-R160 PolarHBondContact OE2-NH1 2.92Å; E157-R160 IonicContact OE2-NH2 2.79Å; E157-R160 PolarHBondContact OE2-NH2 3.26Å; E157-Q161 PolarHBondContact O-N 3.43Å
158D91.1Very high90.8Very high25 Ų2586.5 Ų86.513%0.13439%0.39CS..Hα-helixtrans-66.5-35-177.8-65.3-5.2000111.3Q154 Q161 F162 W214Q154-D158 PolarHBondContact NE2-OD1 3.27Å; Q154-D158 WeakPolarHBondContact O-CB 3.29Å; Q154-D158 VanDerWaalsContact O-CG 3.29Å; Q154-D158 PolarHBondContact O-N 2.92Å; D158-Q161 PolarHBondContact O-N 3.09Å; D158-F162 WeakPolarHBondContact O-CB 3.31Å; D158-F162 PolarHBondContact O-N 2.78Å; D158-W214 HydrophobicContact CB-CH2 4.17Å; D158-W214 HydrophobicContact CB-CZ2 3.23Å; D158-W214 PolarHBondContact OD2-NE1 2.89Å
159E92.5Very high91Very high97 Ų9788 Ų8845%0.45340%0.399SS..Hα-helixtrans-67.8-36174.8-176.1161.4-15000112.2R155 E157 T163 W214R155-E159 WeakPolarHBondContact O-CB 3.49Å; R155-E159 PolarHBondContact O-N 3.2Å; E157-E159 VanDerWaalsContact C-N 3.33Å; E157-E159 PolarHBondContact O-N 2.94Å; E159-T163 WeakPolarHBondContact O-CB 3.45Å; E159-T163 PolarHBondContact O-N 3.12Å; E159-T163 PolarHBondContact O-OG1 3.37Å; E159-W214 HydrophobicContact CB-CH2 4.2Å
160R94.7Very high91.1Very high147 Ų14785.5 Ų85.556%0.55539%0.39SS*.Hα-helixtrans-64.1-48.2172.5-171-178.875.3-125.23110.7I156 E157 T163 E164I156-R160 WeakPolarHBondContact O-CB 3.33Å; I156-R160 PolarHBondContact O-N 3.02Å; E157-R160 WeakPolarHBondContact O-CB 3.43Å; E157-R160 PolarHBondContact O-N 2.9Å; E157-R160 IonicContact OE1-CZ 3.49Å; E157-R160 IonicContact OE1-NH1 3.6Å; E157-R160 IonicContact OE1-NH2 3.46Å; E157-R160 PolarHBondContact OE1-NH2 3.36Å; E157-R160 IonicContact OE2-CZ 2.85Å; E157-R160 IonicContact OE2-NH1 3.1Å; E157-R160 PolarHBondContact OE2-NH1 2.92Å; E157-R160 IonicContact OE2-NH2 2.79Å; E157-R160 PolarHBondContact OE2-NH2 3.26Å; R160-T163 PolarHBondContact O-N 3.37Å; R160-E164 PolarHBondContact O-N 3.23Å; R160-E164 VanDerWaalsContact O-N 3.1Å
161Q93.2Very high91.1Very high99 Ų9981.4 Ų81.446%0.46338%0.378SS..Hα-helixtrans-59.9-47.6177.8-175.7179.2-4.600111.4E157 D158 T163 E164 E165E157-Q161 PolarHBondContact O-N 3.43Å; D158-Q161 PolarHBondContact O-N 3.09Å; Q161-T163 VanDerWaalsContact C-N 3.26Å; Q161-T163 PolarHBondContact O-N 3.49Å; Q161-E164 PolarHBondContact O-N 3.12Å; Q161-E165 HydrophobicContact CG-CG 4.41Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.34Å; Q161-E165 PolarHBondContact NE2-OE1 2.86Å; Q161-E165 WeakPolarHBondContact O-CG 3.46Å; Q161-E165 PolarHBondContact O-N 3.28Å
162F92.8Very high91.3Very high12 Ų1286.6 Ų86.65%0.05340%0.401CS..Hα-helixtrans-57.3-40.2177.1-179.4-107000112.7D158 S166 R203 E206 R207 M210D158-F162 WeakPolarHBondContact O-CB 3.31Å; D158-F162 PolarHBondContact O-N 2.78Å; F162-S166 WeakPolarHBondContact CZ-OG 3.49Å; F162-S166 WeakPolarHBondContact O-CB 3.44Å; F162-S166 PolarHBondContact O-N 2.8Å; F162-S166 PolarHBondContact O-OG 3.46Å; F162-R203 HydrophobicContact CE1-CG 4.02Å; F162-R203 HydrophobicContact CZ-CG 4Å; F162-R203 WeakPolarHBondContact CZ-O 3.47Å; F162-E206 HydrophobicContact CE2-CB 3.78Å; F162-E206 HydrophobicContact CZ-CB 3.97Å; F162-R207 HydrophobicContact CD1-CB 4.47Å; F162-R207 HydrophobicContact CE1-CB 3.65Å; F162-R207 HydrophobicContact CE1-CG 4.06Å; F162-R207 HydrophobicContact CZ-CB 3.85Å; F162-M210 HydrophobicContact CB-CE 3.66Å; F162-M210 HydrophobicContact CB-SD 3.86Å; F162-M210 HydrophobicContact CD2-CE 3.28Å; F162-M210 HydrophobicContact CD2-SD 4.18Å; F162-M210 HydrophobicContact CE2-CE 4.15Å; F162-M210 HydrophobicContact CG-CE 3.66Å; F162-M210 HydrophobicContact CG-SD 4Å
163T92.4Very high91.3Very high63 Ų6385.5 Ų85.539%0.38740%0.395SS..Hα-helixtrans-68.4-39.2-179.6-59.80000111.7E159 R160 Q161 K167E159-T163 WeakPolarHBondContact O-CB 3.45Å; E159-T163 PolarHBondContact O-N 3.12Å; E159-T163 PolarHBondContact O-OG1 3.37Å; R160-T163 PolarHBondContact O-N 3.37Å; Q161-T163 VanDerWaalsContact C-N 3.26Å; Q161-T163 PolarHBondContact O-N 3.49Å; T163-K167 WeakPolarHBondContact O-CB 3.41Å; T163-K167 PolarHBondContact O-N 3.08Å
164E93.8Very high91.1Very high101 Ų10181.2 Ų81.247%0.47238%0.376SS..Hα-helixtrans-67.5-49.8176.4-166.960.8-147.700111.3R160 Q161 S166 K167 E168R160-E164 PolarHBondContact O-N 3.23Å; R160-E164 VanDerWaalsContact O-N 3.1Å; Q161-E164 PolarHBondContact O-N 3.12Å; E164-S166 VanDerWaalsContact C-N 3.33Å; E164-S166 PolarHBondContact O-N 3.07Å; E164-K167 WeakPolarHBondContact O-CB 3.49Å; E164-K167 PolarHBondContact O-N 3.26Å; E164-K167 VanDerWaalsContact O-N 3.08Å; E164-E168 PolarHBondContact O-N 2.96Å
165E92Very high90.9Very high95 Ų9581.7 Ų81.744%0.44438%0.381SS..Hα-helixtrans-59.4-43.8177.3-70.6174.9-179.600111.6Q161 K167 E168 E169Q161-E165 HydrophobicContact CG-CG 4.41Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.34Å; Q161-E165 PolarHBondContact NE2-OE1 2.86Å; Q161-E165 WeakPolarHBondContact O-CG 3.46Å; Q161-E165 PolarHBondContact O-N 3.28Å; E165-K167 VanDerWaalsContact C-N 3.29Å; E165-K167 PolarHBondContact O-N 2.64Å; E165-E168 PolarHBondContact O-N 3.19Å; E165-E169 WeakPolarHBondContact O-CG 3.38Å; E165-E169 PolarHBondContact O-N 2.96Å
166S90.1Very high90.8Very high15 Ų1580.8 Ų80.811%0.10538%0.381CS..Hα-helixtrans-59.2-41.4175.4-68.20000111.9F162 E164 W170F162-S166 WeakPolarHBondContact CZ-OG 3.49Å; F162-S166 WeakPolarHBondContact O-CB 3.44Å; F162-S166 PolarHBondContact O-N 2.8Å; F162-S166 PolarHBondContact O-OG 3.46Å; E164-S166 VanDerWaalsContact C-N 3.33Å; E164-S166 PolarHBondContact O-N 3.07Å; S166-W170 WeakPolarHBondContact O-CB 3.46Å; S166-W170 PolarHBondContact O-N 2.94Å
167K91.1Very high90.3Very high111 Ų11177.1 Ų77.148%0.48336%0.362SS..Hα-helixtrans-66.8-45.2-180-177.8-173.4168.8-159.40110.7T163 E164 E165 E169 W170 E171T163-K167 WeakPolarHBondContact O-CB 3.41Å; T163-K167 PolarHBondContact O-N 3.08Å; E164-K167 WeakPolarHBondContact O-CB 3.49Å; E164-K167 PolarHBondContact O-N 3.26Å; E164-K167 VanDerWaalsContact O-N 3.08Å; E165-K167 VanDerWaalsContact C-N 3.29Å; E165-K167 PolarHBondContact O-N 2.64Å; K167-E169 PolarHBondContact O-N 3.17Å; K167-W170 WeakPolarHBondContact O-CB 3.36Å; K167-W170 PolarHBondContact O-N 3.16Å; K167-E171 WeakPolarHBondContact CE-OE1 3.21Å; K167-E171 WeakPolarHBondContact O-CG 3.35Å; K167-E171 PolarHBondContact O-N 2.77Å
168E92.7Very high89.7Confident87 Ų8776.7 Ų76.741%0.40737%0.372SS..Hα-helixtrans-60.4-43.9176.3-71.6-169.9-169.700112.6E164 E165 W170 E171 K172E164-E168 PolarHBondContact O-N 2.96Å; E165-E168 PolarHBondContact O-N 3.19Å; E168-W170 VanDerWaalsContact C-N 3.29Å; E168-W170 PolarHBondContact O-N 3.35Å; E168-E171 PolarHBondContact O-N 2.95Å; E168-K172 WeakPolarHBondContact O-CB 3.5Å; E168-K172 VanDerWaalsContact O-CG 3.28Å; E168-K172 WeakPolarHBondContact O-CG 3.43Å; E168-K172 PolarHBondContact O-N 3.3Å; E168-K172 IonicContact OE2-NZ 3.39Å; E168-K172 PolarHBondContact OE2-NZ 3.19Å
169E89.6Confident89.3Confident88 Ų8883.3 Ų83.341%0.41140%0.4SS..Hα-helixtrans-60.7-41.9175.4-75.1-163.5171.700111.4E165 K167 K172 A173 K202E165-E169 WeakPolarHBondContact O-CG 3.38Å; E165-E169 PolarHBondContact O-N 2.96Å; K167-E169 PolarHBondContact O-N 3.17Å; E169-K172 PolarHBondContact O-N 2.98Å; E169-A173 WeakPolarHBondContact O-CB 3.37Å; E169-A173 PolarHBondContact O-N 3.43Å; E169-K202 IonicContact OE1-NZ 3.52Å; E169-K202 IonicContact OE2-NZ 3.44Å; E169-K202 PolarHBondContact OE2-NZ 3.01Å
170W87.2Confident88.4Confident97 Ų9787.1 Ų87.137%0.36741%0.41SS..Hα-helixtrans-63.7-45179.6-144.275.9000111.7S166 K167 E168 A173 L174 I196 L199S166-W170 WeakPolarHBondContact O-CB 3.46Å; S166-W170 PolarHBondContact O-N 2.94Å; K167-W170 WeakPolarHBondContact O-CB 3.36Å; K167-W170 PolarHBondContact O-N 3.16Å; E168-W170 VanDerWaalsContact C-N 3.29Å; E168-W170 PolarHBondContact O-N 3.35Å; W170-A173 PolarHBondContact O-N 3.14Å; W170-L174 HydrophobicContact CD2-CD1 4.22Å; W170-L174 HydrophobicContact CE3-CD1 3.45Å; W170-L174 VanDerWaalsContact CE3-CD1 3.45Å; W170-L174 HydrophobicContact CE3-CG 4.32Å; W170-L174 HydrophobicContact CH2-CD1 4.03Å; W170-L174 HydrophobicContact CZ3-CD1 3.36Å; W170-L174 HydrophobicContact CZ3-CG 4.44Å; W170-L174 WeakPolarHBondContact O-CG 3.28Å; W170-L174 PolarHBondContact O-N 3.44Å; W170-I196 HydrophobicContact CZ2-CG1 4.04Å; W170-I196 HydrophobicContact CZ2-CG2 4.25Å; W170-L199 HydrophobicContact CG-CD1 4.35Å
171E90Very high87.1Confident95 Ų9585.3 Ų85.344%0.44440%0.404SS..Hα-helixtrans-63.6-42.8176.4-72.5178.9-176.600111.9K167 E168 L174 N175K167-E171 WeakPolarHBondContact CE-OE1 3.21Å; K167-E171 WeakPolarHBondContact O-CG 3.35Å; K167-E171 PolarHBondContact O-N 2.77Å; E168-E171 PolarHBondContact O-N 2.95Å; E171-L174 PolarHBondContact O-N 3.15Å; E171-N175 WeakPolarHBondContact O-CB 3.4Å; E171-N175 PolarHBondContact O-N 3.15Å; E171-N175 PolarHBondContact O-ND2 2.97Å
172K91.4Very high85.7Confident129 Ų12987.9 Ų87.956%0.56142%0.421SS*.Hα-helixtrans-61.7-45.1175.8-74.2166.5-173.91560111.7E168 E169 N175 E176E168-K172 WeakPolarHBondContact O-CB 3.5Å; E168-K172 VanDerWaalsContact O-CG 3.28Å; E168-K172 WeakPolarHBondContact O-CG 3.43Å; E168-K172 PolarHBondContact O-N 3.3Å; E168-K172 IonicContact OE2-NZ 3.39Å; E168-K172 PolarHBondContact OE2-NZ 3.19Å; E169-K172 PolarHBondContact O-N 2.98Å; K172-N175 PolarHBondContact O-N 2.86Å; K172-E176 PolarHBondContact O-N 3Å
173A87.9Confident83.9Confident26 Ų2698.4 Ų98.422%0.21546%0.461CS..Hα-helixtrans-66.4-40.4-179.700000112.6E169 W170 E176 L177 L195 L199E169-A173 WeakPolarHBondContact O-CB 3.37Å; E169-A173 PolarHBondContact O-N 3.43Å; W170-A173 PolarHBondContact O-N 3.14Å; A173-E176 PolarHBondContact O-N 2.88Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 PolarHBondContact O-N 3.2Å; A173-L195 HydrophobicContact CB-CD2 4.45Å; A173-L199 HydrophobicContact CB-CD1 3.71Å; A173-L199 HydrophobicContact CB-CD2 4.43Å
174L85.3Confident82.3Confident42 Ų42101.2 Ų101.222%0.2247%0.473CS..Hα-helixtrans-64.8-41.8174.6-76.6178.4000112.2W170 E171 L177 A178W170-L174 HydrophobicContact CD2-CD1 4.22Å; W170-L174 HydrophobicContact CE3-CD1 3.45Å; W170-L174 VanDerWaalsContact CE3-CD1 3.45Å; W170-L174 HydrophobicContact CE3-CG 4.32Å; W170-L174 HydrophobicContact CH2-CD1 4.03Å; W170-L174 HydrophobicContact CZ3-CD1 3.36Å; W170-L174 HydrophobicContact CZ3-CG 4.44Å; W170-L174 WeakPolarHBondContact O-CG 3.28Å; W170-L174 PolarHBondContact O-N 3.44Å; E171-L174 PolarHBondContact O-N 3.15Å; L174-L177 PolarHBondContact O-N 3.43Å; L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 2.86Å
175N87.3Confident80.8Confident103 Ų103101.4 Ų101.455%0.55149%0.486SS*.Hα-helixtrans-63.6-40.5176.6-79.4-27.3000112.2E171 K172 A178 K179E171-N175 WeakPolarHBondContact O-CB 3.4Å; E171-N175 PolarHBondContact O-N 3.15Å; E171-N175 PolarHBondContact O-ND2 2.97Å; K172-N175 PolarHBondContact O-N 2.86Å; N175-A178 PolarHBondContact O-N 3.25Å; N175-K179 WeakPolarHBondContact O-CG 3.33Å; N175-K179 PolarHBondContact O-N 3.32Å
176E86.1Confident79.2Confident81 Ų81105.6 Ų105.638%0.37951%0.505SS..Hα-helixtrans-67.4-40.5176.2-177.760.4-163.100112.1K172 A173 A178 K179 R180K172-E176 PolarHBondContact O-N 3Å; A173-E176 PolarHBondContact O-N 2.88Å; E176-A178 VanDerWaalsContact C-N 3.33Å; E176-A178 PolarHBondContact O-N 3.38Å; E176-K179 PolarHBondContact O-N 3.46Å; E176-R180 WeakPolarHBondContact O-CG 3.46Å; E176-R180 PolarHBondContact O-N 3.03Å; E176-R180 IonicContact OE1-CZ 3.5Å; E176-R180 IonicContact OE1-NE 3.94Å; E176-R180 PolarHBondContact OE1-NE 3.47Å; E176-R180 IonicContact OE1-NH2 2.69Å; E176-R180 PolarHBondContact OE1-NH2 3.29Å
177L82.7Confident77.8Confident28 Ų28112.7 Ų112.715%0.14753%0.534CS..Hα-helixtrans-61-43.6173.4-175.974.1000111.3A173 L174 K179 R180 Y181 A191 R192 L195A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 PolarHBondContact O-N 3.2Å; L174-L177 PolarHBondContact O-N 3.43Å; L177-K179 PolarHBondContact O-N 3.25Å; L177-R180 PolarHBondContact O-N 3.43Å; L177-Y181 HydrophobicContact CD1-CD2 4.06Å; L177-Y181 HydrophobicContact CD1-CE2 4.31Å; L177-Y181 PolarHBondContact O-N 3.34Å; L177-A191 HydrophobicContact CD1-CB 4.48Å; L177-R192 HydrophobicContact CD2-CB 3.72Å; L177-R192 HydrophobicContact CD2-CG 4.01Å; L177-L195 HydrophobicContact CB-CD2 3.94Å; L177-L195 HydrophobicContact CD1-CD2 4.41Å; L177-L195 HydrophobicContact CD2-CD2 3.87Å; L177-L195 HydrophobicContact CG-CD2 4.29Å
178A80.7Confident76.7Confident69 Ų69108.8 Ų108.857%0.5752%0.521SS*.Hα-helixtrans-60.2-44177.500000111.6L174 N175 E176 R180 Y181L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 2.86Å; N175-A178 PolarHBondContact O-N 3.25Å; E176-A178 VanDerWaalsContact C-N 3.33Å; E176-A178 PolarHBondContact O-N 3.38Å; A178-R180 VanDerWaalsContact C-N 3.29Å; A178-R180 PolarHBondContact O-N 2.93Å; A178-Y181 PolarHBondContact O-N 3.49Å
179K82.2Confident75.9Confident164 Ų164107.9 Ų107.971%0.71352%0.524SS*.Hα-helixtrans-61.2-33.7176.2-74.1176.1-177177.70113.4N175 E176 L177N175-K179 WeakPolarHBondContact O-CG 3.33Å; N175-K179 PolarHBondContact O-N 3.32Å; E176-K179 PolarHBondContact O-N 3.46Å; L177-K179 PolarHBondContact O-N 3.25Å
180R74.2Confident75.5Confident178 Ų178110.5 Ų110.567%0.67253%0.534SS*.Hα-helixtrans-80.2-20.9-175.9-72.2-179.2-174.6-152.11.1114.6E176 L177 A178E176-R180 WeakPolarHBondContact O-CG 3.46Å; E176-R180 PolarHBondContact O-N 3.03Å; E176-R180 IonicContact OE1-CZ 3.5Å; E176-R180 IonicContact OE1-NE 3.94Å; E176-R180 PolarHBondContact OE1-NE 3.47Å; E176-R180 IonicContact OE1-NH2 2.69Å; E176-R180 PolarHBondContact OE1-NH2 3.29Å; L177-R180 PolarHBondContact O-N 3.43Å; A178-R180 VanDerWaalsContact C-N 3.29Å; A178-R180 PolarHBondContact O-N 2.93Å
181Y66.8Low75.3Confident108 Ų108107.3 Ų107.342%0.42453%0.529SS..  trans-125.447.5-167.7-80.8-80.7000114.9L177 A178 R183L177-Y181 HydrophobicContact CD1-CD2 4.06Å; L177-Y181 HydrophobicContact CD1-CE2 4.31Å; L177-Y181 PolarHBondContact O-N 3.34Å; A178-Y181 PolarHBondContact O-N 3.49Å; Y181-R183 PolarHBondContact O-N 2.96Å
182D62.4Low74.9Confident154 Ų154108.5 Ų108.582%0.82453%0.529SS*.THydrogen-bonded Turntrans-8117172.1-149.64.6000114
183R56.7Low74.7Confident233 Ų233105.5 Ų105.588%0.87952%0.519SS*.THydrogen-bonded Turntrans-143.88.3-171.9-107.6177.7171.7-169.5-4.5119.6Y181Y181-R183 PolarHBondContact O-N 2.96Å
184N58.6Low74.7Confident122 Ų122107.5 Ų107.565%0.65253%0.526SS*.  trans-167.3114.7168-98.5-29.9000113.2S188N184-S188 WeakPolarHBondContact O-CB 3.38Å
185S62Low74.8Confident105 Ų105107.4 Ų107.473%0.73453%0.525SS*.Hα-helixtrans-71-42.9-165.3-177.10000115.9S188 S189S185-S188 WeakPolarHBondContact O-CB 3.38Å; S185-S188 PolarHBondContact O-N 3.43Å; S185-S189 PolarHBondContact O-N 3.16Å
186Q59.1Low74.8Confident182 Ų182104.3 Ų104.385%0.8551%0.509SS*.Hα-helixtrans-74-37.6-174.5-84.3179-28.700114.3S188Q186-S188 VanDerWaalsContact C-N 3.25Å; Q186-S188 PolarHBondContact O-N 3.44Å
187K59.8Low75Confident164 Ų164108 Ų10871%0.71352%0.519SS*.Hα-helixtrans-68.3-28173.3-75.9-174.2178.5179.80111.9A191K187-A191 WeakPolarHBondContact O-CB 3.33Å; K187-A191 PolarHBondContact O-N 3.41Å
188S68.1Low75.3Confident30 Ų30112.7 Ų112.721%0.2154%0.54CS..Hα-helixtrans-67.7-41.4177.8-176.50000112.3N184 S185 Q186 K190 A191 R192N184-S188 WeakPolarHBondContact O-CB 3.38Å; S185-S188 WeakPolarHBondContact O-CB 3.38Å; S185-S188 PolarHBondContact O-N 3.43Å; Q186-S188 VanDerWaalsContact C-N 3.25Å; Q186-S188 PolarHBondContact O-N 3.44Å; S188-K190 PolarHBondContact O-N 2.69Å; S188-A191 PolarHBondContact O-N 2.95Å; S188-R192 WeakPolarHBondContact O-CB 3.3Å; S188-R192 PolarHBondContact O-N 3.41Å
189S76.1Confident75.8Confident67 Ų67110.6 Ų110.647%0.46952%0.519SS..Hα-helixtrans-60.7-47.8-179.8-165.10000112.7S185 R192 D193S185-S189 PolarHBondContact O-N 3.16Å; S189-R192 WeakPolarHBondContact O-CB 3.48Å; S189-R192 PolarHBondContact O-N 3.09Å; S189-D193 PolarHBondContact O-N 3Å
190K81.5Confident76.2Confident144 Ų144105.5 Ų105.563%0.62650%0.502SS*.Hα-helixtrans-64.9-42.9179.1-172.5178178.5-178.70111.7S188 R192 D193 D194S188-K190 PolarHBondContact O-N 2.69Å; K190-R192 VanDerWaalsContact C-N 3.3Å; K190-R192 PolarHBondContact O-N 3.44Å; K190-D193 PolarHBondContact O-N 3.36Å; K190-D194 WeakPolarHBondContact O-CB 3.37Å; K190-D194 PolarHBondContact O-N 3.43Å
191A81.6Confident77.1Confident30 Ų30100.6 Ų100.625%0.24849%0.491CS..Hα-helixtrans-61.7-38.3176.700000112.3L177 K187 S188 L195L177-A191 HydrophobicContact CD1-CB 4.48Å; K187-A191 WeakPolarHBondContact O-CB 3.33Å; K187-A191 PolarHBondContact O-N 3.41Å; S188-A191 PolarHBondContact O-N 2.95Å; A191-L195 VanDerWaalsContact O-CB 3.31Å; A191-L195 WeakPolarHBondContact O-CB 3.26Å; A191-L195 PolarHBondContact O-N 2.72Å
192R82.3Confident78.3Confident120 Ų12098.7 Ų98.745%0.45349%0.485SS..Hα-helixtrans-63.1-49173.5-177.7-172.1132.199.31.3111.7L177 S188 S189 K190 L195 I196L177-R192 HydrophobicContact CD2-CB 3.72Å; L177-R192 HydrophobicContact CD2-CG 4.01Å; S188-R192 WeakPolarHBondContact O-CB 3.3Å; S188-R192 PolarHBondContact O-N 3.41Å; S189-R192 WeakPolarHBondContact O-CB 3.48Å; S189-R192 PolarHBondContact O-N 3.09Å; K190-R192 VanDerWaalsContact C-N 3.3Å; K190-R192 PolarHBondContact O-N 3.44Å; R192-L195 PolarHBondContact O-N 3.04Å; R192-I196 HydrophobicContact CG-CD1 3.98Å; R192-I196 VanDerWaalsContact O-CG1 3.28Å; R192-I196 WeakPolarHBondContact O-CG1 3.41Å; R192-I196 PolarHBondContact O-N 2.85Å
193D86.4Confident79.7Confident66 Ų6696.6 Ų96.635%0.35347%0.466SS..Hα-helixtrans-64.8-41.5-179.3-66.7-20.6000111.6S189 K190 I196 R197S189-D193 PolarHBondContact O-N 3Å; K190-D193 PolarHBondContact O-N 3.36Å; D193-I196 PolarHBondContact O-N 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.45Å; D193-R197 PolarHBondContact O-N 3.48Å
194D88Confident81.4Confident67 Ų6790.1 Ų90.136%0.35845%0.446SS..Hα-helixtrans-65.1-38.6176.2-71-22.9000111.4K190 R197 H198K190-D194 WeakPolarHBondContact O-CB 3.37Å; K190-D194 PolarHBondContact O-N 3.43Å; D194-R197 PolarHBondContact O-N 3.19Å; D194-R197 IonicContact OD1-CZ 2.78Å; D194-R197 IonicContact OD1-NH1 3.93Å; D194-R197 PolarHBondContact OD1-NH1 2.96Å; D194-R197 VanDerWaalsContact OD1-NH1 3.08Å; D194-H198 WeakPolarHBondContact O-CB 3.47Å; D194-H198 PolarHBondContact O-N 3.2Å
195L87.5Confident83.1Confident40 Ų4088.6 Ų88.621%0.20944%0.438CS..Hα-helixtrans-63.6-45.9172.9179.565.3000111.8A173 L177 A191 R192 R197 H198 L199A173-L195 HydrophobicContact CB-CD2 4.45Å; L177-L195 HydrophobicContact CB-CD2 3.94Å; L177-L195 HydrophobicContact CD1-CD2 4.41Å; L177-L195 HydrophobicContact CD2-CD2 3.87Å; L177-L195 HydrophobicContact CG-CD2 4.29Å; A191-L195 VanDerWaalsContact O-CB 3.31Å; A191-L195 WeakPolarHBondContact O-CB 3.26Å; A191-L195 PolarHBondContact O-N 2.72Å; R192-L195 PolarHBondContact O-N 3.04Å; L195-R197 VanDerWaalsContact C-N 3.32Å; L195-R197 PolarHBondContact O-N 3.16Å; L195-H198 PolarHBondContact O-N 3.13Å; L195-L199 HydrophobicContact CD1-CD1 3.98Å; L195-L199 HydrophobicContact CD1-CG 4.04Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.88Å; L195-L199 HydrophobicContact CG-CG 4.33Å; L195-L199 WeakPolarHBondContact O-CB 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.05Å
196I87.5Confident84.5Confident39 Ų3987 Ų8720%0.242%0.419CS..Hα-helixtrans-59-46177.7-71.5166.8000110.1W170 R192 D193 T200W170-I196 HydrophobicContact CZ2-CG1 4.04Å; W170-I196 HydrophobicContact CZ2-CG2 4.25Å; R192-I196 HydrophobicContact CG-CD1 3.98Å; R192-I196 VanDerWaalsContact O-CG1 3.28Å; R192-I196 WeakPolarHBondContact O-CG1 3.41Å; R192-I196 PolarHBondContact O-N 2.85Å; D193-I196 PolarHBondContact O-N 3.3Å; I196-T200 WeakPolarHBondContact O-CB 3.48Å; I196-T200 PolarHBondContact O-N 3.36Å; I196-T200 PolarHBondContact O-OG1 2.99Å
197R89.7Confident86.1Confident157 Ų15782.4 Ų82.459%0.59239%0.393SS*.Hα-helixtrans-60.3-48.1175.7-72.4-177.4-156.81445.6111.3D193 D194 L195 L199 T200 V201D193-R197 WeakPolarHBondContact O-CG 3.45Å; D193-R197 PolarHBondContact O-N 3.48Å; D194-R197 PolarHBondContact O-N 3.19Å; D194-R197 IonicContact OD1-CZ 2.78Å; D194-R197 IonicContact OD1-NH1 3.93Å; D194-R197 PolarHBondContact OD1-NH1 2.96Å; D194-R197 VanDerWaalsContact OD1-NH1 3.08Å; L195-R197 VanDerWaalsContact C-N 3.32Å; L195-R197 PolarHBondContact O-N 3.16Å; R197-L199 PolarHBondContact O-N 2.93Å; R197-T200 PolarHBondContact O-N 3Å; R197-V201 WeakPolarHBondContact O-CG2 3.31Å; R197-V201 PolarHBondContact O-N 3.21Å
198H90.4Very high87.6Confident128 Ų12879.1 Ų79.159%0.59338%0.381SS*.Hα-helixtrans-60.4-46.5-179.2-174.269.4000112.3D194 L195 T200 V201 K202D194-H198 WeakPolarHBondContact O-CB 3.47Å; D194-H198 PolarHBondContact O-N 3.2Å; L195-H198 PolarHBondContact O-N 3.13Å; H198-T200 VanDerWaalsContact C-N 3.33Å; H198-T200 PolarHBondContact O-N 3.08Å; H198-V201 PolarHBondContact O-N 3.19Å; H198-K202 WeakPolarHBondContact O-CB 3.33Å; H198-K202 PolarHBondContact O-N 3.47Å
199L90.6Very high88.8Confident24 Ų2480.7 Ų80.713%0.12639%0.389CS..Hα-helixtrans-65.4-36177.1-68.3173.6000112.3W170 A173 L195 R197 K202 R203W170-L199 HydrophobicContact CG-CD1 4.35Å; A173-L199 HydrophobicContact CB-CD1 3.71Å; A173-L199 HydrophobicContact CB-CD2 4.43Å; L195-L199 HydrophobicContact CD1-CD1 3.98Å; L195-L199 HydrophobicContact CD1-CG 4.04Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.88Å; L195-L199 HydrophobicContact CG-CG 4.33Å; L195-L199 WeakPolarHBondContact O-CB 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.05Å; R197-L199 PolarHBondContact O-N 2.93Å; L199-K202 PolarHBondContact O-N 3.07Å; L199-R203 VanDerWaalsContact O-CB 3.31Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 3.42Å
200T90.5Very high89.5Confident58 Ų5879.7 Ų79.736%0.35638%0.377SS..Hα-helixtrans-64.7-48.7176.2-56.90000110.8I196 R197 H198 K202 R203 E204I196-T200 WeakPolarHBondContact O-CB 3.48Å; I196-T200 PolarHBondContact O-N 3.36Å; I196-T200 PolarHBondContact O-OG1 2.99Å; R197-T200 PolarHBondContact O-N 3Å; H198-T200 VanDerWaalsContact C-N 3.33Å; H198-T200 PolarHBondContact O-N 3.08Å; T200-K202 PolarHBondContact O-N 3.05Å; T200-R203 PolarHBondContact O-N 3.43Å; T200-E204 WeakPolarHBondContact O-CG 3.35Å; T200-E204 PolarHBondContact O-N 3.43Å
201V92.5Very high89.8Confident74 Ų7478.3 Ų78.345%0.44837%0.368SS..Hα-helixtrans-62.7-43.1176.9172.50000111.1R197 H198 R203 E204 N205R197-V201 WeakPolarHBondContact O-CG2 3.31Å; R197-V201 PolarHBondContact O-N 3.21Å; H198-V201 PolarHBondContact O-N 3.19Å; V201-R203 PolarHBondContact O-N 2.84Å; V201-E204 PolarHBondContact O-N 3.29Å; V201-N205 WeakPolarHBondContact O-CB 3.23Å; V201-N205 VanDerWaalsContact O-CG 3.29Å; V201-N205 PolarHBondContact O-N 3.2Å; V201-N205 PolarHBondContact O-ND2 2.95Å
202K92.3Very high90.1Very high69 Ų6982.1 Ų82.130%0.338%0.381SS..Hα-helixtrans-56.4-51.3174.9-175.8-169.6168.1-159.40110.9E169 H198 L199 T200 E204 N205 E206E169-K202 IonicContact OE1-NZ 3.52Å; E169-K202 IonicContact OE2-NZ 3.44Å; E169-K202 PolarHBondContact OE2-NZ 3.01Å; H198-K202 WeakPolarHBondContact O-CB 3.33Å; H198-K202 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 3.07Å; T200-K202 PolarHBondContact O-N 3.05Å; K202-E204 VanDerWaalsContact C-N 3.35Å; K202-E204 PolarHBondContact O-N 2.9Å; K202-N205 PolarHBondContact O-N 3.43Å; K202-E206 WeakPolarHBondContact CE-OE1 3.48Å; K202-E206 IonicContact NZ-OE1 3.34Å; K202-E206 WeakPolarHBondContact O-CG 3.36Å; K202-E206 PolarHBondContact O-N 2.92Å
203R91.7Very high90.5Very high109 Ų10984.5 Ų84.541%0.41139%0.39SS..Hα-helixtrans-58.7-43178.1-179-173.5177.2-161.4-0.2112.2F162 L199 T200 V201 R207F162-R203 HydrophobicContact CE1-CG 4.02Å; F162-R203 HydrophobicContact CZ-CG 4Å; F162-R203 WeakPolarHBondContact CZ-O 3.47Å; L199-R203 VanDerWaalsContact O-CB 3.31Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 3.42Å; T200-R203 PolarHBondContact O-N 3.43Å; V201-R203 PolarHBondContact O-N 2.84Å; R203-R207 VanDerWaalsContact O-CB 3.24Å; R203-R207 WeakPolarHBondContact O-CB 3.3Å; R203-R207 PolarHBondContact O-N 3.34Å
204E92.9Very high90.4Very high98 Ų9882.7 Ų82.746%0.45838%0.378SS..Hα-helixtrans-64.2-44178.6-74.3-177.8158.200112.1T200 V201 K202 R207 E208T200-E204 WeakPolarHBondContact O-CG 3.35Å; T200-E204 PolarHBondContact O-N 3.43Å; V201-E204 PolarHBondContact O-N 3.29Å; K202-E204 VanDerWaalsContact C-N 3.35Å; K202-E204 PolarHBondContact O-N 2.9Å; E204-R207 PolarHBondContact O-N 2.93Å; E204-E208 WeakPolarHBondContact O-CB 3.3Å; E204-E208 PolarHBondContact O-N 3.45Å
205N93.8Very high90.3Very high90 Ų9084.2 Ų84.248%0.48138%0.381SS..Hα-helixtrans-64.6-41.8177.2-71.7-19000112.4V201 K202 E208 T209V201-N205 WeakPolarHBondContact O-CB 3.23Å; V201-N205 VanDerWaalsContact O-CG 3.29Å; V201-N205 PolarHBondContact O-N 3.2Å; V201-N205 PolarHBondContact O-ND2 2.95Å; K202-N205 PolarHBondContact O-N 3.43Å; N205-E208 PolarHBondContact O-N 3.19Å; N205-T209 WeakPolarHBondContact O-CB 3.33Å; N205-T209 PolarHBondContact O-N 2.83Å; N205-T209 PolarHBondContact O-OG1 3.35Å
206E92.7Very high90.3Very high72 Ų7288.3 Ų88.334%0.33640%0.399SS..Hα-helixtrans-66.6-43.7176.6-73.4175.2165.500111.4F162 K202 E208 T209 M210F162-E206 HydrophobicContact CE2-CB 3.78Å; F162-E206 HydrophobicContact CZ-CB 3.97Å; K202-E206 WeakPolarHBondContact CE-OE1 3.48Å; K202-E206 IonicContact NZ-OE1 3.34Å; K202-E206 WeakPolarHBondContact O-CG 3.36Å; K202-E206 PolarHBondContact O-N 2.92Å; E206-E208 VanDerWaalsContact C-N 3.3Å; E206-E208 PolarHBondContact O-N 3.43Å; E206-T209 PolarHBondContact O-N 3.35Å; E206-M210 VanDerWaalsContact O-CB 3.32Å; E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 PolarHBondContact O-N 2.92Å
207R92.6Very high90.3Very high84 Ų8493.2 Ų93.232%0.31742%0.415SS..Hα-helixtrans-61.2-39.2174.6-171.5173.460.8165.2-4.1111.8F162 R203 E204 R211F162-R207 HydrophobicContact CD1-CB 4.47Å; F162-R207 HydrophobicContact CE1-CB 3.65Å; F162-R207 HydrophobicContact CE1-CG 4.06Å; F162-R207 HydrophobicContact CZ-CB 3.85Å; R203-R207 VanDerWaalsContact O-CB 3.24Å; R203-R207 WeakPolarHBondContact O-CB 3.3Å; R203-R207 PolarHBondContact O-N 3.34Å; E204-R207 PolarHBondContact O-N 2.93Å; R207-R211 WeakPolarHBondContact O-CB 3.27Å; R207-R211 VanDerWaalsContact O-CG 3.31Å; R207-R211 WeakPolarHBondContact O-CG 3.45Å; R207-R211 PolarHBondContact O-N 3.12Å; R207-R211 PolarHBondContact O-NE 3.46Å
208E91.5Very high90.3Very high96 Ų9686.5 Ų86.545%0.44939%0.391SS..Hα-helixtrans-66.8-46.6174.7-174.2171.9-178.800112E204 N205 E206 M210 R211 Q212E204-E208 WeakPolarHBondContact O-CB 3.3Å; E204-E208 PolarHBondContact O-N 3.45Å; N205-E208 PolarHBondContact O-N 3.19Å; E206-E208 VanDerWaalsContact C-N 3.3Å; E206-E208 PolarHBondContact O-N 3.43Å; E208-M210 VanDerWaalsContact C-N 3.3Å; E208-M210 PolarHBondContact O-N 2.85Å; E208-R211 PolarHBondContact O-N 3.38Å; E208-Q212 WeakPolarHBondContact O-CG 3.44Å; E208-Q212 PolarHBondContact O-N 3.46Å
209T92.3Very high90.1Very high62 Ų6285.7 Ų85.738%0.3838%0.383SS..Hα-helixtrans-58.5-43177.2-57.80000111.4N205 E206 Q212 R213N205-T209 WeakPolarHBondContact O-CB 3.33Å; N205-T209 PolarHBondContact O-N 2.83Å; N205-T209 PolarHBondContact O-OG1 3.35Å; E206-T209 PolarHBondContact O-N 3.35Å; T209-Q212 PolarHBondContact O-N 3.32Å; T209-R213 WeakPolarHBondContact O-CG 3.23Å; T209-R213 PolarHBondContact O-N 3.14Å
210M90.7Very high90Very high46 Ų4687.5 Ų87.523%0.22740%0.397CS..Hα-helixtrans-60.7-49175179.5-178.3-68.600111.8F162 E206 E208 Q212 R213 W214F162-M210 HydrophobicContact CB-CE 3.66Å; F162-M210 HydrophobicContact CB-SD 3.86Å; F162-M210 HydrophobicContact CD2-CE 3.28Å; F162-M210 HydrophobicContact CD2-SD 4.18Å; F162-M210 HydrophobicContact CE2-CE 4.15Å; F162-M210 HydrophobicContact CG-CE 3.66Å; F162-M210 HydrophobicContact CG-SD 4Å; E206-M210 VanDerWaalsContact O-CB 3.32Å; E206-M210 WeakPolarHBondContact O-CB 3.48Å; E206-M210 PolarHBondContact O-N 2.92Å; E208-M210 VanDerWaalsContact C-N 3.3Å; E208-M210 PolarHBondContact O-N 2.85Å; M210-Q212 VanDerWaalsContact C-N 3.29Å; M210-Q212 PolarHBondContact O-N 3.08Å; M210-R213 WeakPolarHBondContact O-CB 3.22Å; M210-R213 PolarHBondContact O-N 3.3Å; M210-W214 HydrophobicContact CG-CD2 4.22Å; M210-W214 HydrophobicContact CG-CH2 3.9Å; M210-W214 HydrophobicContact CG-CZ2 3.31Å; M210-W214 PolarHBondContact O-N 2.91Å; M210-W214 HydrophobicContact SD-CH2 3.66Å; M210-W214 HydrophobicContact SD-CZ2 3.26Å; M210-W214 WeakPolarHBondContact SD-CZ2 3.38Å
211R89.1Confident90Very high115 Ų11588.1 Ų88.143%0.43440%0.398SS..Hα-helixtrans-60-37.6176.3-75.2-175.5-65.7-177.33.3112.5R207 E208 W214 K215R207-R211 WeakPolarHBondContact O-CB 3.27Å; R207-R211 VanDerWaalsContact O-CG 3.31Å; R207-R211 WeakPolarHBondContact O-CG 3.45Å; R207-R211 PolarHBondContact O-N 3.12Å; R207-R211 PolarHBondContact O-NE 3.46Å; E208-R211 PolarHBondContact O-N 3.38Å; R211-W214 HydrophobicContact CG-CE3 4.1Å; R211-W214 HydrophobicContact CG-CZ3 3.98Å; R211-K215 WeakPolarHBondContact O-CG 3.44Å; R211-K215 PolarHBondContact O-N 2.92Å; R211-K215 VanDerWaalsContact O-N 3.08Å
212Q87.9Confident89.8Confident110 Ų11084.8 Ų84.851%0.51438%0.377SS..Hα-helixtrans-65.3-44.1175.4-71.4-179.34.200111.8E208 T209 M210 W214 K215 E216E208-Q212 WeakPolarHBondContact O-CG 3.44Å; E208-Q212 PolarHBondContact O-N 3.46Å; T209-Q212 PolarHBondContact O-N 3.32Å; M210-Q212 VanDerWaalsContact C-N 3.29Å; M210-Q212 PolarHBondContact O-N 3.08Å; Q212-W214 VanDerWaalsContact C-N 3.34Å; Q212-W214 PolarHBondContact O-N 3.45Å; Q212-K215 PolarHBondContact O-N 3.48Å; Q212-E216 PolarHBondContact O-N 3.19Å
213R88.9Confident89.7Confident171 Ų17183 Ų8365%0.64538%0.376SS*.Hα-helixtrans-60.2-41.6175.7-72.9175.3179.2178.81.3112.2T209 M210 E216 R217T209-R213 WeakPolarHBondContact O-CG 3.23Å; T209-R213 PolarHBondContact O-N 3.14Å; M210-R213 WeakPolarHBondContact O-CB 3.22Å; M210-R213 PolarHBondContact O-N 3.3Å; R213-E216 PolarHBondContact O-N 3.36Å; R213-R217 WeakPolarHBondContact O-CB 3.3Å; R213-R217 PolarHBondContact O-N 2.91Å
214W86.4Confident89.7Confident28 Ų2882.7 Ų82.711%0.10638%0.382CS..Hα-helixtrans-61.9-49.8174.3-64.3-27.7000111.8R155 D158 E159 M210 R211 Q212 E216 R217 E218R155-W214 HydrophobicContact CB-CZ3 4.39Å; R155-W214 HydrophobicContact CG-CD2 4.26Å; R155-W214 HydrophobicContact CG-CE3 3.9Å; R155-W214 HydrophobicContact CG-CZ3 4.26Å; D158-W214 HydrophobicContact CB-CH2 4.17Å; D158-W214 HydrophobicContact CB-CZ2 3.23Å; D158-W214 PolarHBondContact OD2-NE1 2.89Å; E159-W214 HydrophobicContact CB-CH2 4.2Å; M210-W214 HydrophobicContact CG-CD2 4.22Å; M210-W214 HydrophobicContact CG-CH2 3.9Å; M210-W214 HydrophobicContact CG-CZ2 3.31Å; M210-W214 PolarHBondContact O-N 2.91Å; M210-W214 HydrophobicContact SD-CH2 3.66Å; M210-W214 HydrophobicContact SD-CZ2 3.26Å; M210-W214 WeakPolarHBondContact SD-CZ2 3.38Å; R211-W214 HydrophobicContact CG-CE3 4.1Å; R211-W214 HydrophobicContact CG-CZ3 3.98Å; Q212-W214 VanDerWaalsContact C-N 3.34Å; Q212-W214 PolarHBondContact O-N 3.45Å; W214-E216 VanDerWaalsContact C-N 3.25Å; W214-E216 PolarHBondContact O-N 3.05Å; W214-R217 PolarHBondContact O-N 3.1Å; W214-R217 VanDerWaalsContact O-N 3.1Å; W214-E218 WeakPolarHBondContact O-CB 3.3Å; W214-E218 WeakPolarHBondContact O-CG 3.37Å; W214-E218 PolarHBondContact O-N 2.78Å
215K85.6Confident89.6Confident98 Ų9879.5 Ų79.543%0.42637%0.368SS..Hα-helixtrans-57-38.5178.4-75.3-178.1177.3-168.90112.6R211 Q212 R219R211-K215 WeakPolarHBondContact O-CG 3.44Å; R211-K215 PolarHBondContact O-N 2.92Å; R211-K215 VanDerWaalsContact O-N 3.08Å; Q212-K215 PolarHBondContact O-N 3.48Å; K215-R219 WeakPolarHBondContact O-CB 3.45Å; K215-R219 VanDerWaalsContact O-CG 3.28Å; K215-R219 WeakPolarHBondContact O-CG 3.42Å; K215-R219 PolarHBondContact O-N 3.23Å; K215-R219 VanDerWaalsContact O-N 3.1Å; K215-R219 PolarHBondContact O-NE 2.97Å
216E87.2Confident89.5Confident126 Ų12675.3 Ų75.359%0.58935%0.346SS*.Hα-helixtrans-67.6-44.4175.4-172.8171.5-166.700112.4Q212 R213 W214 R219 S220Q212-E216 PolarHBondContact O-N 3.19Å; R213-E216 PolarHBondContact O-N 3.36Å; W214-E216 VanDerWaalsContact C-N 3.25Å; W214-E216 PolarHBondContact O-N 3.05Å; E216-R219 PolarHBondContact O-N 3.19Å; E216-S220 PolarHBondContact O-N 3.02Å
217R87.9Confident89.5Confident142 Ų14274.2 Ų74.254%0.53634%0.342SS..Hα-helixtrans-63.2-47.7176.5-173.9-174.7-68.5162.2-3112.1R213 W214 R219 S220 I221R213-R217 WeakPolarHBondContact O-CB 3.3Å; R213-R217 PolarHBondContact O-N 2.91Å; W214-R217 PolarHBondContact O-N 3.1Å; W214-R217 VanDerWaalsContact O-N 3.1Å; R217-R219 VanDerWaalsContact C-N 3.32Å; R217-R219 PolarHBondContact O-N 3.2Å; R217-S220 PolarHBondContact O-N 2.69Å; R217-I221 HydrophobicContact CG-CD1 3.87Å; R217-I221 WeakPolarHBondContact O-CG1 3.46Å; R217-I221 PolarHBondContact O-N 3.39Å
218E87.8Confident89.6Confident16 Ų1675.4 Ų75.48%0.07535%0.35CS..Hα-helixtrans-58.3-44.2177.4-71.5-178.3179.400110.9F151 R155 W214 S220 I221 T222F151-E218 HydrophobicContact CB-CG 4.26Å; F151-E218 HydrophobicContact CD1-CG 4.01Å; F151-E218 HydrophobicContact CD2-CB 4.04Å; F151-E218 HydrophobicContact CD2-CG 3.67Å; F151-E218 HydrophobicContact CE1-CG 4.24Å; F151-E218 HydrophobicContact CE2-CB 3.83Å; F151-E218 HydrophobicContact CE2-CG 3.93Å; F151-E218 HydrophobicContact CG-CG 3.73Å; F151-E218 HydrophobicContact CZ-CB 4.13Å; F151-E218 HydrophobicContact CZ-CG 4.21Å; R155-E218 WeakPolarHBondContact CD-OE1 3.25Å; R155-E218 IonicContact CZ-OE1 3.38Å; R155-E218 IonicContact NE-OE1 3.58Å; R155-E218 IonicContact NH1-OE1 3.9Å; R155-E218 IonicContact NH1-OE2 3.81Å; W214-E218 WeakPolarHBondContact O-CB 3.3Å; W214-E218 WeakPolarHBondContact O-CG 3.37Å; W214-E218 PolarHBondContact O-N 2.78Å; E218-S220 PolarHBondContact O-N 3.2Å; E218-I221 PolarHBondContact O-N 3.25Å; E218-T222 VanDerWaalsContact O-CB 3.32Å; E218-T222 WeakPolarHBondContact O-CB 3.29Å; E218-T222 PolarHBondContact O-N 3.01Å; E218-T222 PolarHBondContact O-OG1 2.83Å
219R86.7Confident89.7Confident111 Ų11171.1 Ų71.142%0.41933%0.33SS..Hα-helixtrans-59.6-44.5174.1-83.5-175.9-64.1179.18.6112.7K215 E216 R217 T222 A223 G353 T354K215-R219 WeakPolarHBondContact O-CB 3.45Å; K215-R219 VanDerWaalsContact O-CG 3.28Å; K215-R219 WeakPolarHBondContact O-CG 3.42Å; K215-R219 PolarHBondContact O-N 3.23Å; K215-R219 VanDerWaalsContact O-N 3.1Å; K215-R219 PolarHBondContact O-NE 2.97Å; E216-R219 PolarHBondContact O-N 3.19Å; R217-R219 VanDerWaalsContact C-N 3.32Å; R217-R219 PolarHBondContact O-N 3.2Å; R219-T222 PolarHBondContact O-N 3.12Å; R219-A223 WeakPolarHBondContact O-CB 3.43Å; R219-A223 PolarHBondContact O-N 2.96Å; R219-G353 VanDerWaalsContact CD-O 3.3Å; R219-G353 WeakPolarHBondContact CD-O 3.35Å; R219-T354 WeakPolarHBondContact CG-O 3.47Å
220S89.7Confident89.8Confident62 Ų6268.3 Ų68.343%0.43431%0.312SS..Hα-helixtrans-63.2-48.9179.7-168.50000111.4E216 R217 E218 T222 A223 D224E216-S220 PolarHBondContact O-N 3.02Å; R217-S220 PolarHBondContact O-N 2.69Å; E218-S220 PolarHBondContact O-N 3.2Å; S220-T222 VanDerWaalsContact C-N 3.32Å; S220-T222 PolarHBondContact O-N 3.33Å; S220-A223 PolarHBondContact O-N 2.93Å; S220-D224 PolarHBondContact O-N 2.78Å
221I90.3Very high90Very high72 Ų7271.8 Ų71.837%0.36933%0.327SS..Hα-helixtrans-63.7-40.6-179.8-66.1169000110.7M147 F151 R217 E218 D224 L225M147-I221 HydrophobicContact CG-CG2 4.2Å; M147-I221 HydrophobicContact SD-CG2 3.89Å; F151-I221 HydrophobicContact CE1-CB 4.09Å; F151-I221 HydrophobicContact CE1-CD1 3.84Å; F151-I221 HydrophobicContact CE1-CG2 3.89Å; F151-I221 HydrophobicContact CZ-CB 3.81Å; F151-I221 HydrophobicContact CZ-CD1 4.4Å; F151-I221 HydrophobicContact CZ-CG2 3.7Å; R217-I221 HydrophobicContact CG-CD1 3.87Å; R217-I221 WeakPolarHBondContact O-CG1 3.46Å; R217-I221 PolarHBondContact O-N 3.39Å; E218-I221 PolarHBondContact O-N 3.25Å; I221-D224 PolarHBondContact O-N 3.39Å; I221-L225 PolarHBondContact O-N 3.09Å
222T87.8Confident90.4Very high3 Ų369 Ų692%0.01832%0.318CS..Hα-helixtrans-63.7-44.4177.2-54.60000111.3M147 E218 R219 S220 D224 L225 V226 E355M147-T222 HydrophobicContact CE-CG2 3.94Å; M147-T222 WeakPolarHBondContact CE-OG1 3.44Å; E218-T222 VanDerWaalsContact O-CB 3.32Å; E218-T222 WeakPolarHBondContact O-CB 3.29Å; E218-T222 PolarHBondContact O-N 3.01Å; E218-T222 PolarHBondContact O-OG1 2.83Å; R219-T222 PolarHBondContact O-N 3.12Å; S220-T222 VanDerWaalsContact C-N 3.32Å; S220-T222 PolarHBondContact O-N 3.33Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 2.98Å; T222-L225 PolarHBondContact O-N 2.65Å; T222-V226 HydrophobicContact CG2-CG2 4.27Å; T222-V226 WeakPolarHBondContact O-CG2 3.24Å; T222-V226 PolarHBondContact O-N 3.2Å; T222-E355 VanDerWaalsContact CG2-OE1 3.28Å; T222-E355 WeakPolarHBondContact CG2-OE1 3.39Å
223A89.4Confident90.7Very high32 Ų3263.7 Ų63.726%0.26429%0.294SS..Hα-helixtrans-60.2-41.2176.300000112.6R219 S220 V226 D227 V359R219-A223 WeakPolarHBondContact O-CB 3.43Å; R219-A223 PolarHBondContact O-N 2.96Å; S220-A223 PolarHBondContact O-N 2.93Å; A223-V226 PolarHBondContact O-N 3.28Å; A223-D227 PolarHBondContact O-N 2.92Å; A223-V359 HydrophobicContact CB-CG2 3.92Å
224D92.9Very high90.9Very high103 Ų10356.7 Ų56.755%0.55127%0.268SS*.Hα-helixtrans-65.8-40.3177-67.1-23.1000111.8S220 I221 T222 D227 K228S220-D224 PolarHBondContact O-N 2.78Å; I221-D224 PolarHBondContact O-N 3.39Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 2.98Å; D224-D227 PolarHBondContact O-N 3.33Å; D224-K228 PolarHBondContact O-N 2.95Å; D224-K228 VanDerWaalsContact O-N 3.11Å
225L91.2Very high91.2Very high31 Ų3159 Ų5916%0.16228%0.283CS..Hα-helixtrans-62.6-47173.8179.560.2000111.2Q143 E144 M147 I221 T222 D227 K228 Q229Q143-L225 HydrophobicContact CB-CD1 4.31Å; E144-L225 HydrophobicContact CG-CD2 3.82Å; M147-L225 HydrophobicContact CB-CD2 4.25Å; M147-L225 HydrophobicContact CE-CD2 4.07Å; M147-L225 HydrophobicContact SD-CB 4.22Å; M147-L225 HydrophobicContact SD-CD2 3.59Å; M147-L225 VanDerWaalsContact SD-CD2 3.59Å; I221-L225 PolarHBondContact O-N 3.09Å; T222-L225 PolarHBondContact O-N 2.65Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 2.85Å; L225-K228 WeakPolarHBondContact O-CB 3.31Å; L225-K228 PolarHBondContact O-N 3.05Å; L225-Q229 HydrophobicContact CD1-CG 4.24Å; L225-Q229 HydrophobicContact CG-CG 4.37Å; L225-Q229 VanDerWaalsContact O-CG 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.28Å; L225-Q229 PolarHBondContact O-N 3.3Å
226V90.3Very high91.5Very high2 Ų255.8 Ų55.81%0.01227%0.27CS..Hα-helixtrans-61.6-37.1178.1-179.30000111.4T222 A223 Q229 S230 V359 R363T222-V226 HydrophobicContact CG2-CG2 4.27Å; T222-V226 WeakPolarHBondContact O-CG2 3.24Å; T222-V226 PolarHBondContact O-N 3.2Å; A223-V226 PolarHBondContact O-N 3.28Å; V226-Q229 PolarHBondContact O-N 3.47Å; V226-S230 VanDerWaalsContact O-CB 3.22Å; V226-S230 WeakPolarHBondContact O-CB 3.35Å; V226-S230 PolarHBondContact O-N 3.32Å; V226-S230 PolarHBondContact O-OG 3.19Å; V226-V359 HydrophobicContact CB-CG1 3.83Å; V226-V359 HydrophobicContact CG1-CG1 3.8Å; V226-V359 HydrophobicContact CG2-CG1 3.47Å; V226-V359 VanDerWaalsContact CG2-CG1 3.47Å; V226-R363 HydrophobicContact CG1-CB 3.91Å; V226-R363 HydrophobicContact CG1-CG 4.43Å
227D93.3Very high91.6Very high49 Ų4950.6 Ų50.626%0.26225%0.246SC..Hα-helixtrans-64.1-43.8176-175.165.1000111.8A223 D224 L225 S230 K231 K362A223-D227 PolarHBondContact O-N 2.92Å; D224-D227 PolarHBondContact O-N 3.33Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 2.85Å; D227-S230 PolarHBondContact O-N 3.42Å; D227-K231 WeakPolarHBondContact O-CG 3.41Å; D227-K231 PolarHBondContact O-N 2.96Å; D227-K231 WeakPolarHBondContact OD2-CE 3.29Å; D227-K231 IonicContact OD2-NZ 2.82Å; D227-K231 PolarHBondContact OD2-NZ 2.75Å; D227-K362 WeakPolarHBondContact OD1-CE 3.31Å; D227-K362 IonicContact OD1-NZ 3.6Å; D227-K362 PolarHBondContact OD1-NZ 2.98Å
228K95.1Very high91.6Very high109 Ų10947.2 Ų47.247%0.47424%0.235SC..Hα-helixtrans-60-51174-175.7-173.1175.9-167.70111.6D224 L225 S230 K231 E232D224-K228 PolarHBondContact O-N 2.95Å; D224-K228 VanDerWaalsContact O-N 3.11Å; L225-K228 WeakPolarHBondContact O-CB 3.31Å; L225-K228 PolarHBondContact O-N 3.05Å; K228-S230 VanDerWaalsContact C-N 3.27Å; K228-S230 PolarHBondContact O-N 2.93Å; K228-K231 WeakPolarHBondContact O-CB 3.35Å; K228-K231 PolarHBondContact O-N 2.93Å; K228-K231 VanDerWaalsContact O-N 3.14Å; K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 IonicContact NZ-OE1 2.8Å; K228-E232 PolarHBondContact O-N 2.65Å; K228-E232 VanDerWaalsContact O-N 3.08Å
229Q93.9Very high91.6Very high5 Ų552.2 Ų52.22%0.02326%0.258CS..Hα-helixtrans-59.9-39178.3-69.7175-26.200111.9H140 E144 L225 V226 K231 E232 M233H140-Q229 HydrophobicContact CB-CG 4.14Å; H140-Q229 PolarHBondContact CE1-O 2.89Å; H140-Q229 PolarHBondContact O-NE2 3.31Å; H140-Q229 VanDerWaalsContact O-NE2 3.1Å; E144-Q229 PolarHBondContact OE1-NE2 3.47Å; E144-Q229 PolarHBondContact OE1-OE1 3.01Å; E144-Q229 VanDerWaalsContact OE1-OE1 3.05Å; L225-Q229 HydrophobicContact CD1-CG 4.24Å; L225-Q229 HydrophobicContact CG-CG 4.37Å; L225-Q229 VanDerWaalsContact O-CG 3.3Å; L225-Q229 WeakPolarHBondContact O-CG 3.28Å; L225-Q229 PolarHBondContact O-N 3.3Å; V226-Q229 PolarHBondContact O-N 3.47Å; Q229-K231 VanDerWaalsContact C-N 3.33Å; Q229-K231 PolarHBondContact O-N 2.88Å; Q229-E232 PolarHBondContact O-N 3.25Å; Q229-M233 WeakPolarHBondContact O-CB 3.35Å; Q229-M233 PolarHBondContact O-N 3.06Å
230S94.7Very high91.6Very high3 Ų347.7 Ų47.72%0.02125%0.245CC..Hα-helixtrans-63.3-39176.9-63.80000111.8V226 D227 K228 M233 I234 S366V226-S230 VanDerWaalsContact O-CB 3.22Å; V226-S230 WeakPolarHBondContact O-CB 3.35Å; V226-S230 PolarHBondContact O-N 3.32Å; V226-S230 PolarHBondContact O-OG 3.19Å; D227-S230 PolarHBondContact O-N 3.42Å; K228-S230 VanDerWaalsContact C-N 3.27Å; K228-S230 PolarHBondContact O-N 2.93Å; S230-M233 PolarHBondContact O-N 2.8Å; S230-I234 WeakPolarHBondContact O-CB 3.2Å; S230-I234 VanDerWaalsContact O-CG1 3.26Å; S230-I234 WeakPolarHBondContact O-CG1 3.48Å; S230-I234 PolarHBondContact O-N 3.19Å; S230-S366 PolarHBondContact OG-OG 3.28Å
231K95Very high91.1Very high120 Ų12046.8 Ų46.852%0.52223%0.232SC..Hα-helixtrans-64-47.2174.4-72.2163.5174.1159.70111.4D227 K228 Q229 M233 I234 D235D227-K231 WeakPolarHBondContact O-CG 3.41Å; D227-K231 PolarHBondContact O-N 2.96Å; D227-K231 WeakPolarHBondContact OD2-CE 3.29Å; D227-K231 IonicContact OD2-NZ 2.82Å; D227-K231 PolarHBondContact OD2-NZ 2.75Å; K228-K231 WeakPolarHBondContact O-CB 3.35Å; K228-K231 PolarHBondContact O-N 2.93Å; K228-K231 VanDerWaalsContact O-N 3.14Å; Q229-K231 VanDerWaalsContact C-N 3.33Å; Q229-K231 PolarHBondContact O-N 2.88Å; K231-M233 VanDerWaalsContact C-N 3.3Å; K231-M233 PolarHBondContact O-N 3.04Å; K231-I234 PolarHBondContact O-N 3.26Å; K231-D235 WeakPolarHBondContact O-CB 3.41Å; K231-D235 PolarHBondContact O-N 3.14Å
232E95.8Very high90.7Very high55 Ų5548.3 Ų48.326%0.25724%0.241SC..Hα-helixtrans-59.4-40.1176.9-67.2172.6-176.900112.2L136 H140 K228 Q229 D235 L236L136-E232 HydrophobicContact CD2-CB 4.4Å; H140-E232 IonicContact CD2-OE2 2.95Å; H140-E232 PolarHBondContact CD2-OE2 3.1Å; H140-E232 IonicContact CE1-OE2 3.5Å; H140-E232 IonicContact NE2-OE2 3.54Å; H140-E232 PolarHBondContact NE2-OE2 3.2Å; K228-E232 WeakPolarHBondContact CE-OE1 3.38Å; K228-E232 IonicContact NZ-OE1 2.8Å; K228-E232 PolarHBondContact O-N 2.65Å; K228-E232 VanDerWaalsContact O-N 3.08Å; Q229-E232 PolarHBondContact O-N 3.25Å; E232-D235 PolarHBondContact O-N 3.37Å; E232-L236 PolarHBondContact O-N 3.31Å; E232-L236 VanDerWaalsContact O-N 3.07Å
233M94.4Very high90.2Very high0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-66.2-44.4176.2-167.269.361.600111.8Q133 L136 Q229 S230 K231 D235 L236 F237 S366 Y367Q133-M233 HydrophobicContact CG-SD 3.85Å; L136-M233 HydrophobicContact CD2-CB 4.44Å; L136-M233 HydrophobicContact CD2-CE 4.03Å; L136-M233 HydrophobicContact CD2-SD 4.02Å; L136-M233 HydrophobicContact CG-CE 4.16Å; Q229-M233 WeakPolarHBondContact O-CB 3.35Å; Q229-M233 PolarHBondContact O-N 3.06Å; S230-M233 PolarHBondContact O-N 2.8Å; K231-M233 VanDerWaalsContact C-N 3.3Å; K231-M233 PolarHBondContact O-N 3.04Å; M233-D235 VanDerWaalsContact C-N 3.32Å; M233-D235 PolarHBondContact O-N 2.76Å; M233-L236 WeakPolarHBondContact O-CB 3.43Å; M233-L236 PolarHBondContact O-N 2.99Å; M233-F237 HydrophobicContact CG-CE2 4.41Å; M233-F237 WeakPolarHBondContact O-CD2 3.42Å; M233-F237 PolarHBondContact O-N 3.1Å; M233-F237 VanDerWaalsContact O-N 3.16Å; M233-S366 VanDerWaalsContact CG-O 3.23Å; M233-S366 WeakPolarHBondContact CG-O 3.45Å; M233-Y367 HydrophobicContact CE-CD1 4.02Å; M233-Y367 HydrophobicContact CE-CD2 3.96Å; M233-Y367 HydrophobicContact CE-CE1 3.56Å; M233-Y367 HydrophobicContact CE-CE2 3.54Å; M233-Y367 HydrophobicContact CE-CG 4.2Å; M233-Y367 HydrophobicContact CG-CD2 4.37Å; M233-Y367 HydrophobicContact SD-CD1 4.4Å; M233-Y367 HydrophobicContact SD-CE1 4.46Å; M233-Y367 HydrophobicContact SD-CG 4.49Å
234I93Very high89.3Confident23 Ų2352.1 Ų52.112%0.11826%0.259CS..Hα-helixtrans-64.5-36.8175.5-69.4-65.3000111.4S230 K231 L236 F237 K238S230-I234 WeakPolarHBondContact O-CB 3.2Å; S230-I234 VanDerWaalsContact O-CG1 3.26Å; S230-I234 WeakPolarHBondContact O-CG1 3.48Å; S230-I234 PolarHBondContact O-N 3.19Å; K231-I234 PolarHBondContact O-N 3.26Å; I234-L236 VanDerWaalsContact C-N 3.29Å; I234-L236 PolarHBondContact O-N 3.1Å; I234-F237 WeakPolarHBondContact O-CB 3.36Å; I234-F237 PolarHBondContact O-N 2.77Å; I234-K238 PolarHBondContact O-N 3.39Å
235D92.7Very high87.7Confident76 Ų7652.1 Ų52.141%0.40626%0.259SS..Hα-helixtrans-63.9-35.3174.4-77-32.1000111.9K231 E232 M233 K238 Q239K231-D235 WeakPolarHBondContact O-CB 3.41Å; K231-D235 PolarHBondContact O-N 3.14Å; E232-D235 PolarHBondContact O-N 3.37Å; M233-D235 VanDerWaalsContact C-N 3.32Å; M233-D235 PolarHBondContact O-N 2.76Å; D235-K238 WeakPolarHBondContact O-CB 3.14Å; D235-K238 PolarHBondContact O-N 2.9Å; D235-Q239 VanDerWaalsContact O-CG 3.31Å; D235-Q239 WeakPolarHBondContact O-CG 3.42Å; D235-Q239 PolarHBondContact O-N 3.24Å
236L92.3Very high86.1Confident32 Ų3256.1 Ų56.117%0.16828%0.284CS..Hα-helixtrans-62.2-45.2172-175.763.4000111.3L128 L136 E232 M233 I234 K238 Q239 A240L128-L236 HydrophobicContact CD1-CB 4.5Å; L128-L236 HydrophobicContact CD1-CD2 3.93Å; L128-L236 HydrophobicContact CD1-CG 3.95Å; L128-L236 HydrophobicContact CD2-CD2 4.5Å; L128-L236 HydrophobicContact CD2-CG 3.89Å; L136-L236 HydrophobicContact CB-CD2 4.34Å; L136-L236 HydrophobicContact CD2-CB 4.19Å; L136-L236 HydrophobicContact CD2-CD2 3.99Å; E232-L236 PolarHBondContact O-N 3.31Å; E232-L236 VanDerWaalsContact O-N 3.07Å; M233-L236 WeakPolarHBondContact O-CB 3.43Å; M233-L236 PolarHBondContact O-N 2.99Å; I234-L236 VanDerWaalsContact C-N 3.29Å; I234-L236 PolarHBondContact O-N 3.1Å; L236-K238 PolarHBondContact O-N 2.77Å; L236-Q239 PolarHBondContact O-N 3.01Å; L236-A240 PolarHBondContact O-N 3.44Å; L236-A240 VanDerWaalsContact O-N 3.09Å
237F90.2Very high84.2Confident17 Ų1761.7 Ų61.78%0.07531%0.31CS..Hα-helixtrans-59.7-43.7172.8-85.2-83.6000112.2L127 L128 M233 I234 Q239 A240 R241 S366 Y367 G369L127-F237 HydrophobicContact CD2-CD1 3.82Å; L127-F237 HydrophobicContact CD2-CE1 4.49Å; L127-F237 HydrophobicContact CG-CD1 4.43Å; L128-F237 HydrophobicContact CB-CE1 4.49Å; L128-F237 HydrophobicContact CD1-CD1 3.83Å; L128-F237 HydrophobicContact CD1-CD2 3.45Å; L128-F237 VanDerWaalsContact CD1-CD2 3.45Å; L128-F237 HydrophobicContact CD1-CE1 3.75Å; L128-F237 HydrophobicContact CD1-CE2 3.34Å; L128-F237 HydrophobicContact CD1-CG 3.69Å; L128-F237 HydrophobicContact CD1-CZ 3.49Å; L128-F237 VanDerWaalsContact CD1-CZ 3.49Å; L128-F237 HydrophobicContact CG-CD1 3.75Å; L128-F237 HydrophobicContact CG-CD2 4.29Å; L128-F237 HydrophobicContact CG-CE1 3.74Å; L128-F237 HydrophobicContact CG-CE2 4.26Å; L128-F237 HydrophobicContact CG-CG 4.04Å; L128-F237 HydrophobicContact CG-CZ 3.99Å; M233-F237 HydrophobicContact CG-CE2 4.41Å; M233-F237 WeakPolarHBondContact O-CD2 3.42Å; M233-F237 PolarHBondContact O-N 3.1Å; M233-F237 VanDerWaalsContact O-N 3.16Å; I234-F237 WeakPolarHBondContact O-CB 3.36Å; I234-F237 PolarHBondContact O-N 2.77Å; F237-Q239 PolarHBondContact O-N 2.97Å; F237-A240 PolarHBondContact O-N 3.3Å; F237-R241 WeakPolarHBondContact O-CG 3.39Å; F237-R241 PolarHBondContact O-N 2.86Å; F237-S366 WeakPolarHBondContact CE2-O 3.24Å; F237-Y367 WeakPolarHBondContact CE2-O 3.39Å; F237-Y367 WeakPolarHBondContact CZ-O 3.09Å; F237-G369 VanDerWaalsContact CD2-CA 3.48Å; F237-G369 VanDerWaalsContact CE2-CA 3.5Å; F237-G369 VanDerWaalsContact CE2-N 3.31Å
238K87.8Confident82Confident71 Ų7164.9 Ų64.931%0.30933%0.327SS..Hα-helixtrans-58.6-46.9176.9176.3-179.1175.6-175.20111.6I234 D235 L236 A240 R241 L242I234-K238 PolarHBondContact O-N 3.39Å; D235-K238 WeakPolarHBondContact O-CB 3.14Å; D235-K238 PolarHBondContact O-N 2.9Å; L236-K238 PolarHBondContact O-N 2.77Å; K238-A240 VanDerWaalsContact C-N 3.31Å; K238-A240 PolarHBondContact O-N 3.15Å; K238-R241 PolarHBondContact O-N 2.87Å; K238-L242 HydrophobicContact CG-CD1 4.3Å; K238-L242 WeakPolarHBondContact O-CG 3.41Å; K238-L242 PolarHBondContact O-N 3.36Å; K238-L242 VanDerWaalsContact O-N 3.09Å
239Q88.1Confident79.6Confident120 Ų12065.5 Ų65.556%0.56134%0.34SS*.Hα-helixtrans-62.3-38.5177.6-71.4173.516.400112.3D235 L236 F237 L242 T243D235-Q239 VanDerWaalsContact O-CG 3.31Å; D235-Q239 WeakPolarHBondContact O-CG 3.42Å; D235-Q239 PolarHBondContact O-N 3.24Å; L236-Q239 PolarHBondContact O-N 3.01Å; F237-Q239 PolarHBondContact O-N 2.97Å; Q239-L242 PolarHBondContact O-N 3.37Å; Q239-T243 PolarHBondContact O-N 2.82Å; Q239-T243 PolarHBondContact O-OG1 2.84Å
240A85.1Confident77.2Confident17 Ų1772.7 Ų72.714%0.1438%0.379CS..Hα-helixtrans-67.7-41.4177.300000112.9L127 L128 L236 F237 K238 L242 T243 N244L127-A240 HydrophobicContact CD1-CB 4.42Å; L127-A240 HydrophobicContact CG-CB 4.28Å; L128-A240 HydrophobicContact CD2-CB 3.35Å; L236-A240 PolarHBondContact O-N 3.44Å; L236-A240 VanDerWaalsContact O-N 3.09Å; F237-A240 PolarHBondContact O-N 3.3Å; K238-A240 VanDerWaalsContact C-N 3.31Å; K238-A240 PolarHBondContact O-N 3.15Å; A240-L242 PolarHBondContact O-N 2.88Å; A240-T243 PolarHBondContact O-N 3.37Å; A240-N244 PolarHBondContact O-N 3.31Å
241R81.1Confident74.6Confident42 Ų4280.4 Ų80.416%0.15841%0.414CS..Hα-helixtrans-60.6-44.2173.7-67.4-174.2-1701516.2112.1L127 F237 K238 T243 N244 N245 Y257 P258 G369L127-R241 HydrophobicContact CD1-CG 3.97Å; L127-R241 HydrophobicContact CD2-CG 3.39Å; L127-R241 HydrophobicContact CG-CG 4.21Å; F237-R241 WeakPolarHBondContact O-CG 3.39Å; F237-R241 PolarHBondContact O-N 2.86Å; K238-R241 PolarHBondContact O-N 2.87Å; R241-T243 VanDerWaalsContact C-N 3.29Å; R241-T243 PolarHBondContact O-N 3.24Å; R241-N244 PolarHBondContact O-N 2.89Å; R241-N245 PolarHBondContact O-N 3.43Å; R241-Y257 VanDerWaalsContact NH1-CD1 3.29Å; R241-Y257 PolarHBondContact NH1-O 3.25Å; R241-P258 PolarHBondContact NH1-O 2.85Å; R241-G369 PolarHBondContact NH2-O 2.89Å
242L80.9Confident71.8Confident105 Ų10584.5 Ų84.555%0.5543%0.432SS..Hα-helixtrans-62-38176.3-69.3171.5000111.9K238 Q239 A240 V246K238-L242 HydrophobicContact CG-CD1 4.3Å; K238-L242 WeakPolarHBondContact O-CG 3.41Å; K238-L242 PolarHBondContact O-N 3.36Å; K238-L242 VanDerWaalsContact O-N 3.09Å; Q239-L242 PolarHBondContact O-N 3.37Å; A240-L242 PolarHBondContact O-N 2.88Å; L242-V246 VanDerWaalsContact O-CG2 3.3Å; L242-V246 WeakPolarHBondContact O-CG2 3.41Å; L242-V246 PolarHBondContact O-N 2.8Å
243T77Confident68.9Low66 Ų6691.7 Ų91.741%0.40547%0.466SS..Hα-helixtrans-68.5-38.4178.1-52.90000111.9Q239 A240 R241Q239-T243 PolarHBondContact O-N 2.82Å; Q239-T243 PolarHBondContact O-OG1 2.84Å; A240-T243 PolarHBondContact O-N 3.37Å; R241-T243 VanDerWaalsContact C-N 3.29Å; R241-T243 PolarHBondContact O-N 3.24Å
244N70.4Confident66.4Low48 Ų4894.5 Ų94.526%0.25749%0.494SS..Hα-helixtrans-73.4-40.6178.4-75.4-0.6000112.6L127 A240 R241 V246 Q247 D248L127-N244 WeakPolarHBondContact CD1-ND2 3.14Å; A240-N244 PolarHBondContact O-N 3.31Å; R241-N244 PolarHBondContact O-N 2.89Å; N244-V246 PolarHBondContact O-N 3.39Å; N244-Q247 WeakPolarHBondContact O-CA 3.43Å; N244-Q247 WeakPolarHBondContact O-CB 3.11Å; N244-Q247 PolarHBondContact O-N 3.33Å; N244-D248 PolarHBondContact O-N 3.36Å
245N60.9Low64.5Low103 Ų10399.4 Ų99.455%0.55153%0.531SS*.Hα-helixtrans-63.8-24.6177.5-76.18.4000113.3R241 Q247R241-N245 PolarHBondContact O-N 3.43Å; N245-Q247 VanDerWaalsContact C-N 3.26Å
246V56.9Low63.7Low116 Ų11699.6 Ų99.670%0.70354%0.538SS*.THydrogen-bonded Turntrans-73.1-20172.6174.10000111.8L242 N244L242-V246 VanDerWaalsContact O-CG2 3.3Å; L242-V246 WeakPolarHBondContact O-CG2 3.41Å; L242-V246 PolarHBondContact O-N 2.8Å; N244-V246 PolarHBondContact O-N 3.39Å
247Q50.8Low63.4Low119 Ų11999.2 Ų99.256%0.55653%0.534SS*.THydrogen-bonded Turntrans-89.6-31.4177.7-64.8-178.68.400112.7N120 N244 N245N120-Q247 PolarHBondContact ND2-OE1 2.96Å; N244-Q247 WeakPolarHBondContact O-CA 3.43Å; N244-Q247 WeakPolarHBondContact O-CB 3.11Å; N244-Q247 PolarHBondContact O-N 3.33Å; N245-Q247 VanDerWaalsContact C-N 3.26Å
248D46.1Very low63.2Low116 Ų116100.1 Ų100.162%0.6254%0.542SS*.  trans-107.774.1179.3-75.5-40.8000111.5N244 D250N244-D248 PolarHBondContact O-N 3.36Å; D248-D250 VanDerWaalsContact C-N 3.25Å; D248-D250 PolarHBondContact O-N 2.88Å
249V45.7Very low63.1Low121 Ų12199.7 Ų99.773%0.73355%0.548SS*.THydrogen-bonded Turntrans-74.9-13.4176.7-1780000112.5
250D43.4Very low63.1Low157 Ų15797.7 Ų97.784%0.8454%0.544SS*.THydrogen-bonded Turntrans-109.710.6-169.4-80.4-28.4000116.8D248D248-D250 VanDerWaalsContact C-N 3.25Å; D248-D250 PolarHBondContact O-N 2.88Å
251Q38.9Very low63.4Low164 Ų164100.5 Ų100.577%0.76656%0.561SS**SBendtrans-134.197.3-179-66-170.123.500116
252K36.1Very low64.1Low207 Ų20799.6 Ų99.690%0.956%0.56SS**  trans55.6133.8138.4-69.2-175.8176.6179.70121.2G254K252-G254 PolarHBondContact O-N 3.06Å
253E36.4Very low64.8Low206 Ų20698.7 Ų98.796%0.96356%0.561SS**  trans-56.857.8169.7-60.7176.2145.600114.9
254G41.2Very low65.8Low58 Ų5897.2 Ų97.260%0.59855%0.552SS**  trans-74.8139.7158.100000109.5K252 S256K252-G254 PolarHBondContact O-N 3.06Å; G254-S256 VanDerWaalsContact C-N 3.34Å; G254-S256 PolarHBondContact O-N 2.74Å
255S54Low67Low127 Ų127100.1 Ų100.189%0.88857%0.567SS**  trans-56.593.6174.5-176.10000110.4
256S74.6Confident68.7Low79 Ų7997.1 Ų97.155%0.55255%0.553SS**PPolyproline II helixtrans-68.5131177.2170.60000109G254G254-S256 VanDerWaalsContact C-N 3.34Å; G254-S256 PolarHBondContact O-N 2.74Å
257Y85.7Confident70.6Confident25 Ų2592.3 Ų92.310%0.09852%0.524CS..PPolyproline II helixtrans-53.9130.9174.1-164.4-85.4000110.3R241 D313 L370 H371 Y403R241-Y257 VanDerWaalsContact NH1-CD1 3.29Å; R241-Y257 PolarHBondContact NH1-O 3.25Å; Y257-D313 WeakPolarHBondContact CD2-OD2 3.37Å; Y257-D313 HydrophobicContact CE2-CB 4.39Å; Y257-D313 WeakPolarHBondContact CE2-OD2 3.43Å; Y257-L370 HydrophobicContact CE2-CD2 3.93Å; Y257-L370 WeakPolarHBondContact OH-CA 3.24Å; Y257-H371 HydrophobicContact CE1-CB 4.49Å; Y257-H371 AromaticContact CE1-CD2 3.28Å; Y257-H371 WeakPolarHBondContact CE1-CD2 3.28Å; Y257-H371 AromaticContact CE1-CG 3.98Å; Y257-H371 AromaticContact CE1-NE2 3.73Å; Y257-H371 PolarHBondContact OH-N 3.13Å; Y257-Y403 HydrophobicContact CE2-CD1 4.11Å; Y257-Y403 WeakPolarHBondContact CE2-O 3.29Å; Y257-Y403 PolarHBondContact OH-O 2.85Å
258P86.7Confident72.5Confident35 Ų3594.2 Ų94.223%0.22754%0.538CS..PPolyproline II helixtrans-62.8144.9-16923-33000111.8R241 T260 P262 H371 Y403R241-P258 PolarHBondContact NH1-O 2.85Å; P258-T260 VanDerWaalsContact C-N 3.34Å; P258-P262 HydrophobicContact CB-CG 3.95Å; P258-P262 HydrophobicContact CG-CG 3.46Å; P258-P262 VanDerWaalsContact CG-CG 3.46Å; P258-H371 PolarHBondContact O-NE2 3.43Å; P258-Y403 HydrophobicContact CG-CD1 3.83Å; P258-Y403 HydrophobicContact CG-CE1 3.52Å
259S85.8Confident74.7Confident62 Ų6291 Ų9143%0.43452%0.521SS..SBendtrans-75.2-23.5-178.954.70000113.9
260T88.2Confident77Confident79 Ų7988.8 Ų88.849%0.48550%0.503SS..SBendtrans-126.6151.9177.250.10000108.8P258 P262P258-T260 VanDerWaalsContact C-N 3.34Å; T260-P262 VanDerWaalsContact O-CD 3.27Å; T260-P262 WeakPolarHBondContact O-CD 3.43Å
261P91.8Very high79.4Confident76 Ų7682.4 Ų82.449%0.49447%0.468SS..PPolyproline II helixtrans-53.8121.9175.4-24.933.4000110.9H371 W408P261-H371 HydrophobicContact CB-CB 4.48Å; P261-W408 HydrophobicContact CB-CH2 4.21Å; P261-W408 HydrophobicContact CB-CZ2 4.11Å
262P94.4Very high81.8Confident23 Ų2382 Ų8215%0.14946%0.459CS..PPolyproline II helixtrans-64.2158.5175.8-25.738.2000112.1P258 T260 Y403 W408P258-P262 HydrophobicContact CB-CG 3.95Å; P258-P262 HydrophobicContact CG-CG 3.46Å; P258-P262 VanDerWaalsContact CG-CG 3.46Å; T260-P262 VanDerWaalsContact O-CD 3.27Å; T260-P262 WeakPolarHBondContact O-CD 3.43Å; P262-Y403 HydrophobicContact CB-CD2 4.32Å; P262-Y403 HydrophobicContact CB-CE2 3.94Å; P262-Y403 HydrophobicContact CG-CD1 4.19Å; P262-Y403 HydrophobicContact CG-CD2 3.91Å; P262-Y403 HydrophobicContact CG-CE1 3.94Å; P262-Y403 HydrophobicContact CG-CE2 3.65Å; P262-Y403 HydrophobicContact CG-CG 4.16Å; P262-W408 VanDerWaalsContact O-CZ2 3.24Å; P262-W408 WeakPolarHBondContact O-CZ2 3.39Å; P262-W408 PolarHBondContact O-NE1 2.79Å
263P96.1Very high84.4Confident86 Ų8677 Ų7756%0.55844%0.443SS*.PPolyproline II helixtrans-60.3151.9173.526.2-34.3000111.7L265 W408P263-L265 HydrophobicContact CG-CD1 4.16Å; P263-L265 HydrophobicContact CG-CG 4.23Å; P263-L265 PolarHBondContact O-N 2.94Å; P263-W408 PolarHBondContact O-NE1 3.33Å
264P97.2Very high86.9Confident35 Ų3569.7 Ų69.723%0.22741%0.411CS..  trans-70.495.5176.828.3-33.5000110.3E466 W467 L469P264-E466 HydrophobicContact CB-CB 4.4Å; P264-E466 HydrophobicContact CB-CG 4.41Å; P264-E466 HydrophobicContact CG-CB 3.8Å; P264-E466 HydrophobicContact CG-CG 3.6Å; P264-W467 HydrophobicContact CB-CD2 3.97Å; P264-W467 HydrophobicContact CB-CE3 3.86Å; P264-W467 HydrophobicContact CB-CH2 3.92Å; P264-W467 HydrophobicContact CB-CZ2 4.05Å; P264-W467 HydrophobicContact CB-CZ3 3.83Å; P264-W467 HydrophobicContact CG-CZ2 4.35Å; P264-L469 HydrophobicContact CB-CD2 3.89Å
265L96.6Very high89.1Confident109 Ų10967.7 Ų67.757%0.57139%0.386SS*.  trans-114146.9176.5-63.9176.9000110.3P263P263-L265 HydrophobicContact CG-CD1 4.16Å; P263-L265 HydrophobicContact CG-CG 4.23Å; P263-L265 PolarHBondContact O-N 2.94Å
266P97.1Very high90.4Very high39 Ų3966.3 Ų66.325%0.25338%0.376SS..  trans-53.2140.8172.9-26.535.5000112.2L469 K471P266-L469 WeakPolarHBondContact CA-O 3.35Å; P266-L469 WeakPolarHBondContact CB-O 3.45Å; P266-K471 HydrophobicContact CB-CG 4.12Å; P266-K471 HydrophobicContact CG-CG 4.2Å
267P95.2Very high90.7Very high15 Ų1568 Ų6810%0.09738%0.375CS..  trans-63.3147.3170.828.4-33000110.6P453P267-P453 HydrophobicContact CG-CG 3.74Å
268N91.4Very high90.7Very high159 Ų15969.8 Ų69.885%0.8539%0.386SS*.SBendtrans-85.6-20179.4-69.1-39.3000112.5
269D92.8Very high90.8Very high49 Ų4972 Ų7226%0.26240%0.402SS..SBendtrans-128.9147.4-169.255.4-35.5000109.7D273 V274 R409D269-D273 HydrophobicContact CB-CB 4.25Å; D269-V274 VanDerWaalsContact OD2-CG2 3.29Å; D269-V274 WeakPolarHBondContact OD2-CG2 3.48Å; D269-R409 PolarHBondContact O-NH1 3.43Å; D269-R409 PolarHBondContact O-NH2 3.5Å; D269-R409 IonicContact OD1-CZ 2.98Å; D269-R409 IonicContact OD1-NH2 3.16Å; D269-R409 PolarHBondContact OD1-NH2 2.88Å; D269-R409 IonicContact OD2-NH2 3.44Å; D269-R409 PolarHBondContact OD2-NH2 2.92Å
270Q93Very high90.9Very high74 Ų7473.1 Ų73.135%0.34641%0.407SS..  trans-85.1161.2177.6-61.7-172.314.800110.9R272 D273 V274 D452Q270-R272 HydrophobicContact CB-CG 4.02Å; Q270-R272 PolarHBondContact O-N 3.34Å; Q270-R272 VanDerWaalsContact O-N 3.16Å; Q270-D273 WeakPolarHBondContact CB-OD2 3.47Å; Q270-D273 PolarHBondContact N-OD2 2.9Å; Q270-D273 WeakPolarHBondContact O-CA 3.48Å; Q270-D273 WeakPolarHBondContact O-CB 3.41Å; Q270-D273 PolarHBondContact O-N 3.36Å; Q270-V274 PolarHBondContact O-N 3.48Å; Q270-D452 WeakPolarHBondContact CA-OD1 3.46Å
271K93.7Very high91.1Very high23 Ų2369.6 Ų69.610%0.139%0.385CS..Hα-helixtrans-49.9-43176.9-177.1-175.9179.3177.40112.2D273 V274 Y275 D446 F449 M450 D452K271-D273 VanDerWaalsContact C-N 3.25Å; K271-D273 PolarHBondContact O-N 2.9Å; K271-V274 PolarHBondContact O-N 3.46Å; K271-V274 VanDerWaalsContact O-N 3.14Å; K271-Y275 VanDerWaalsContact CE-CZ 3.46Å; K271-Y275 WeakPolarHBondContact CE-OH 3.26Å; K271-Y275 HydrophobicContact CG-CE1 4.2Å; K271-Y275 PolarHBondContact O-N 3.26Å; K271-Y275 VanDerWaalsContact O-N 3.14Å; K271-D446 WeakPolarHBondContact CE-OD2 3.27Å; K271-D446 PolarHBondContact NZ-O 2.91Å; K271-D446 IonicContact NZ-OD2 4Å; K271-D446 PolarHBondContact NZ-OD2 2.97Å; K271-F449 WeakPolarHBondContact CE-O 3.43Å; K271-F449 PolarHBondContact NZ-O 3.27Å; K271-M450 WeakPolarHBondContact CD-O 3.49Å; K271-M450 HydrophobicContact CG-CB 4.37Å; K271-M450 WeakPolarHBondContact CG-O 3.22Å; K271-D452 WeakPolarHBondContact CB-OD2 3.42Å; K271-D452 VanDerWaalsContact N-CG 3.31Å; K271-D452 PolarHBondContact N-OD1 3.04Å; K271-D452 PolarHBondContact N-OD2 3.46Å
272R90.4Very high91.1Very high155 Ų15572.7 Ų72.759%0.58539%0.392SS*.Hα-helixtrans-65.8-23.6178.565.5176.9-179.8-129.34.2114.6Q270 Y275Q270-R272 HydrophobicContact CB-CG 4.02Å; Q270-R272 PolarHBondContact O-N 3.34Å; Q270-R272 VanDerWaalsContact O-N 3.16Å; R272-Y275 WeakPolarHBondContact CA-O 3.42Å; R272-Y275 CarbonylContact O-C 3.51Å
273D90.3Very high91Very high104 Ų10477.5 Ų77.556%0.55642%0.416SS*.Hα-helixtrans-79.9-25.5177-53.7-35.3000110.5D269 Q270 K271D269-D273 HydrophobicContact CB-CB 4.25Å; Q270-D273 WeakPolarHBondContact CB-OD2 3.47Å; Q270-D273 PolarHBondContact N-OD2 2.9Å; Q270-D273 WeakPolarHBondContact O-CA 3.48Å; Q270-D273 WeakPolarHBondContact O-CB 3.41Å; Q270-D273 PolarHBondContact O-N 3.36Å; K271-D273 VanDerWaalsContact C-N 3.25Å; K271-D273 PolarHBondContact O-N 2.9Å
274V88.3Confident90.9Very high51 Ų5174 Ų7431%0.30939%0.393SS..Hα-helixtrans-78.8-43173.5-172.30000111.5D269 Q270 K271 V314 M450D269-V274 VanDerWaalsContact OD2-CG2 3.29Å; D269-V274 WeakPolarHBondContact OD2-CG2 3.48Å; Q270-V274 PolarHBondContact O-N 3.48Å; K271-V274 PolarHBondContact O-N 3.46Å; K271-V274 VanDerWaalsContact O-N 3.14Å; V274-V314 HydrophobicContact CG1-CG1 4.46Å; V274-V314 HydrophobicContact CG1-CG2 4.08Å; V274-M450 HydrophobicContact CB-CE 4.13Å; V274-M450 HydrophobicContact CG1-CE 3.96Å; V274-M450 HydrophobicContact CG2-CE 3.99Å
275Y88.2Confident90.7Very high17 Ų1773.2 Ų73.27%0.06739%0.387CS..  trans-151.4133.2172.557.7-88.1000111K271 R272 F281 F449 M450K271-Y275 VanDerWaalsContact CE-CZ 3.46Å; K271-Y275 WeakPolarHBondContact CE-OH 3.26Å; K271-Y275 HydrophobicContact CG-CE1 4.2Å; K271-Y275 PolarHBondContact O-N 3.26Å; K271-Y275 VanDerWaalsContact O-N 3.14Å; R272-Y275 WeakPolarHBondContact CA-O 3.42Å; R272-Y275 CarbonylContact O-C 3.51Å; Y275-F281 AromaticContact CD1-CE2 3.65Å; Y275-F281 HydrophobicContact CD1-CE2 3.65Å; Y275-F281 AromaticContact CD1-CZ 3.72Å; Y275-F281 HydrophobicContact CD1-CZ 3.72Å; Y275-F281 HydrophobicContact CD2-CD2 4.47Å; Y275-F281 AromaticContact CD2-CE2 3.67Å; Y275-F281 HydrophobicContact CD2-CE2 3.67Å; Y275-F281 HydrophobicContact CD2-CZ 4.49Å; Y275-F281 AromaticContact CE1-CE2 3.73Å; Y275-F281 HydrophobicContact CE1-CE2 3.73Å; Y275-F281 AromaticContact CE1-CZ 3.98Å; Y275-F281 HydrophobicContact CE1-CZ 3.98Å; Y275-F281 HydrophobicContact CE2-CD2 4.49Å; Y275-F281 AromaticContact CE2-CE2 3.75Å; Y275-F281 HydrophobicContact CE2-CE2 3.75Å; Y275-F281 AromaticContact CG-CE2 3.59Å; Y275-F281 HydrophobicContact CG-CE2 3.59Å; Y275-F281 AromaticContact CG-CZ 3.97Å; Y275-F281 HydrophobicContact CG-CZ 3.97Å; Y275-F281 AromaticContact CZ-CE2 3.74Å; Y275-F449 WeakPolarHBondContact OH-CD1 3.49Å; Y275-M450 HydrophobicContact CE1-CE 4.36Å; Y275-M450 HydrophobicContact CE1-SD 4.03Å
276S80.4Confident90.4Very high97 Ų9773.5 Ų73.568%0.67839%0.385SS*.SBendtrans-85.2-37.5-176.9-49.20000113
277E81.3Confident90.2Very high115 Ų11573.2 Ų73.254%0.53738%0.382SS..  trans-127.5140.1-176.4-66.3-61157.800111.3S279 T280E277-S279 PolarHBondContact O-N 2.91Å; E277-T280 VanDerWaalsContact O-CB 3.27Å; E277-T280 WeakPolarHBondContact O-CB 3.24Å; E277-T280 PolarHBondContact O-N 3.18Å; E277-T280 VanDerWaalsContact O-N 3.12Å; E277-T280 PolarHBondContact O-OG1 3.11Å
278I86.1Confident90.1Very high63 Ų6372.5 Ų72.532%0.32338%0.378SS..G310 helixtrans-62.5-28.2-179.5-62.9172.8000111.4T280 F281 Y444 D446I278-T280 PolarHBondContact O-N 2.71Å; I278-F281 PolarHBondContact O-N 3.38Å; I278-Y444 WeakPolarHBondContact CG2-OH 3.23Å; I278-D446 HydrophobicContact CD1-CB 3.81Å; I278-D446 HydrophobicContact CG1-CB 4.46Å
279S87.7Confident90Very high80 Ų8065.5 Ų65.556%0.55934%0.341SS*.G310 helixtrans-57.2-21.2176.358.30000113.4E277 F281 E282E277-S279 PolarHBondContact O-N 2.91Å; S279-F281 PolarHBondContact O-N 3.47Å; S279-F281 VanDerWaalsContact O-N 3.1Å; S279-E282 VanDerWaalsContact O-CB 3.29Å; S279-E282 WeakPolarHBondContact O-CB 3.46Å; S279-E282 PolarHBondContact O-N 3.35Å
280T89.2Confident90Very high87 Ų8766.6 Ų66.653%0.53435%0.349SS..G310 helixtrans-53.9-30172-50.50000112.1E277 I278E277-T280 VanDerWaalsContact O-CB 3.27Å; E277-T280 WeakPolarHBondContact O-CB 3.24Å; E277-T280 PolarHBondContact O-N 3.18Å; E277-T280 VanDerWaalsContact O-N 3.12Å; E277-T280 PolarHBondContact O-OG1 3.11Å; I278-T280 PolarHBondContact O-N 2.71Å
281F92Very high89.9Confident5 Ų563.7 Ų63.72%0.02234%0.337CS..G310 helixtrans-97.78.1179.9-60.5-62.8000114.3Y275 I278 S279 I283 V284 D285 V314 E315 R318Y275-F281 AromaticContact CD1-CE2 3.65Å; Y275-F281 HydrophobicContact CD1-CE2 3.65Å; Y275-F281 AromaticContact CD1-CZ 3.72Å; Y275-F281 HydrophobicContact CD1-CZ 3.72Å; Y275-F281 HydrophobicContact CD2-CD2 4.47Å; Y275-F281 AromaticContact CD2-CE2 3.67Å; Y275-F281 HydrophobicContact CD2-CE2 3.67Å; Y275-F281 HydrophobicContact CD2-CZ 4.49Å; Y275-F281 AromaticContact CE1-CE2 3.73Å; Y275-F281 HydrophobicContact CE1-CE2 3.73Å; Y275-F281 AromaticContact CE1-CZ 3.98Å; Y275-F281 HydrophobicContact CE1-CZ 3.98Å; Y275-F281 HydrophobicContact CE2-CD2 4.49Å; Y275-F281 AromaticContact CE2-CE2 3.75Å; Y275-F281 HydrophobicContact CE2-CE2 3.75Å; Y275-F281 AromaticContact CG-CE2 3.59Å; Y275-F281 HydrophobicContact CG-CE2 3.59Å; Y275-F281 AromaticContact CG-CZ 3.97Å; Y275-F281 HydrophobicContact CG-CZ 3.97Å; Y275-F281 AromaticContact CZ-CE2 3.74Å; I278-F281 PolarHBondContact O-N 3.38Å; S279-F281 PolarHBondContact O-N 3.47Å; S279-F281 VanDerWaalsContact O-N 3.1Å; F281-I283 VanDerWaalsContact C-N 3.32Å; F281-I283 PolarHBondContact O-N 3.49Å; F281-V284 HydrophobicContact CB-CB 4.49Å; F281-V284 CarbonylContact O-C 3.57Å; F281-V284 WeakPolarHBondContact O-CA 3.45Å; F281-V284 WeakPolarHBondContact O-CB 3.34Å; F281-V284 PolarHBondContact O-N 2.78Å; F281-D285 WeakPolarHBondContact O-CB 3.49Å; F281-D285 PolarHBondContact O-N 2.96Å; F281-V314 HydrophobicContact CE1-CG1 3.92Å; F281-V314 HydrophobicContact CZ-CG1 3.63Å; F281-E315 HydrophobicContact CD1-CG 4.29Å; F281-E315 HydrophobicContact CE1-CG 4.08Å; F281-R318 HydrophobicContact CB-CG 3.99Å; F281-R318 HydrophobicContact CD1-CB 4.17Å; F281-R318 HydrophobicContact CD1-CG 3.75Å; F281-R318 HydrophobicContact CD2-CG 4.27Å; F281-R318 HydrophobicContact CE1-CB 4.3Å; F281-R318 HydrophobicContact CE1-CG 4.3Å; F281-R318 HydrophobicContact CG-CG 3.74Å
282E91.8Very high89.6Confident140 Ų14063.3 Ų63.365%0.65434%0.338SS*.Hα-helixtrans-53-45.8-173.2-176.8173.9-163.800113.2S279 D285 Q286S279-E282 VanDerWaalsContact O-CB 3.29Å; S279-E282 WeakPolarHBondContact O-CB 3.46Å; S279-E282 PolarHBondContact O-N 3.35Å; E282-D285 PolarHBondContact O-N 3.33Å; E282-Q286 VanDerWaalsContact O-CB 3.3Å; E282-Q286 WeakPolarHBondContact O-CB 3.33Å; E282-Q286 PolarHBondContact O-N 3.31Å
283I92Very high89.3Confident125 Ų12562.7 Ų62.764%0.64134%0.341SS*.Hα-helixtrans-66.3-41.5178.1-62.4172.5000111.5F281 T287F281-I283 VanDerWaalsContact C-N 3.32Å; F281-I283 PolarHBondContact O-N 3.49Å; I283-T287 WeakPolarHBondContact O-CB 3.22Å; I283-T287 PolarHBondContact O-N 2.76Å; I283-T287 PolarHBondContact O-OG1 3.35Å
284V93.3Very high89Confident13 Ų1360.3 Ų60.38%0.07933%0.333CS..Hα-helixtrans-65.2-44.5178.8176.10000109.9F281 T287 A288 E315 R318 A319F281-V284 HydrophobicContact CB-CB 4.49Å; F281-V284 CarbonylContact O-C 3.57Å; F281-V284 WeakPolarHBondContact O-CA 3.45Å; F281-V284 WeakPolarHBondContact O-CB 3.34Å; F281-V284 PolarHBondContact O-N 2.78Å; V284-T287 WeakPolarHBondContact O-CB 3.45Å; V284-T287 PolarHBondContact O-N 3.39Å; V284-A288 PolarHBondContact O-N 3.04Å; V284-E315 WeakPolarHBondContact CG1-O 3.38Å; V284-E315 HydrophobicContact CG2-CB 4.08Å; V284-E315 HydrophobicContact CG2-CG 4.07Å; V284-R318 HydrophobicContact CG1-CB 4.25Å; V284-R318 HydrophobicContact CG1-CG 3.97Å; V284-A319 HydrophobicContact CG1-CB 3.72Å
285D93.1Very high88.3Confident18 Ų1865 Ų6510%0.09635%0.352CS..Hα-helixtrans-65.8-44.3-179.7-73.4-12.4000110.6F281 E282 T287 A288 V289 R318 R322F281-D285 WeakPolarHBondContact O-CB 3.49Å; F281-D285 PolarHBondContact O-N 2.96Å; E282-D285 PolarHBondContact O-N 3.33Å; D285-T287 VanDerWaalsContact C-N 3.32Å; D285-T287 PolarHBondContact O-N 2.91Å; D285-A288 PolarHBondContact O-N 3.34Å; D285-V289 VanDerWaalsContact O-CG2 3.3Å; D285-V289 WeakPolarHBondContact O-CG2 3.39Å; D285-V289 PolarHBondContact O-N 3.42Å; D285-R318 IonicContact OD1-CZ 3.82Å; D285-R318 IonicContact OD1-NE 2.67Å; D285-R318 PolarHBondContact OD1-NE 3.09Å; D285-R318 IonicContact OD1-NH2 3.6Å; D285-R318 IonicContact OD2-CZ 2.98Å; D285-R318 IonicContact OD2-NE 2.7Å; D285-R318 IonicContact OD2-NH2 3.38Å; D285-R318 PolarHBondContact OD2-NH2 3.26Å; D285-R322 HydrophobicContact CB-CG 4.14Å
286Q91.9Very high87.8Confident115 Ų11565.3 Ų65.354%0.53735%0.354SS..Hα-helixtrans-62.7-38175.8-17457.538.600112.3E282 V289 T290E282-Q286 VanDerWaalsContact O-CB 3.3Å; E282-Q286 WeakPolarHBondContact O-CB 3.33Å; E282-Q286 PolarHBondContact O-N 3.31Å; Q286-V289 PolarHBondContact O-N 2.96Å; Q286-T290 WeakPolarHBondContact O-CB 3.34Å; Q286-T290 PolarHBondContact O-N 3.29Å; Q286-T290 PolarHBondContact O-OG1 3.03Å
287T92.5Very high87.8Confident32 Ų3269.9 Ų69.920%0.19636%0.356CS..Hα-helixtrans-61.8-47.8173.7-58.70000110.3I283 V284 D285 V289 T290 V291I283-T287 WeakPolarHBondContact O-CB 3.22Å; I283-T287 PolarHBondContact O-N 2.76Å; I283-T287 PolarHBondContact O-OG1 3.35Å; V284-T287 WeakPolarHBondContact O-CB 3.45Å; V284-T287 PolarHBondContact O-N 3.39Å; D285-T287 VanDerWaalsContact C-N 3.32Å; D285-T287 PolarHBondContact O-N 2.91Å; T287-V289 PolarHBondContact O-N 3.25Å; T287-T290 PolarHBondContact O-N 3Å; T287-V291 HydrophobicContact CG2-CG2 4.29Å; T287-V291 WeakPolarHBondContact O-CB 3.44Å; T287-V291 VanDerWaalsContact O-CG2 3.31Å; T287-V291 WeakPolarHBondContact O-CG2 3.39Å; T287-V291 PolarHBondContact O-N 3.41Å
288A93Very high88Confident0 Ų064.8 Ų64.80%033%0.333CS..Hα-helixtrans-61.6-40.4178.300000112.7V284 D285 A292 L306 R322 W323V284-A288 PolarHBondContact O-N 3.04Å; D285-A288 PolarHBondContact O-N 3.34Å; A288-A292 VanDerWaalsContact O-CB 3.23Å; A288-A292 WeakPolarHBondContact O-CB 3.47Å; A288-A292 PolarHBondContact O-N 3.39Å; A288-L306 HydrophobicContact CB-CD2 4.06Å; A288-R322 HydrophobicContact CB-CB 3.7Å; A288-R322 HydrophobicContact CB-CG 3.68Å; A288-W323 HydrophobicContact CB-CB 4.32Å
289V89.7Confident88.3Confident12 Ų1261.9 Ų61.97%0.07332%0.318CS..Hα-helixtrans-62.8-44.8174.1176.20000111.3D285 Q286 T287 A292 Q293 V326 Y442D285-V289 VanDerWaalsContact O-CG2 3.3Å; D285-V289 WeakPolarHBondContact O-CG2 3.39Å; D285-V289 PolarHBondContact O-N 3.42Å; Q286-V289 PolarHBondContact O-N 2.96Å; T287-V289 PolarHBondContact O-N 3.25Å; V289-A292 WeakPolarHBondContact O-CB 3.41Å; V289-A292 PolarHBondContact O-N 3.13Å; V289-Q293 PolarHBondContact O-N 3.11Å; V289-V326 HydrophobicContact CG2-CG2 3.96Å; V289-Y442 HydrophobicContact CG1-CD2 3.96Å; V289-Y442 HydrophobicContact CG1-CE2 3.58Å; V289-Y442 HydrophobicContact CG2-CD2 4.33Å
290T91.2Very high88.4Confident72 Ų7258.1 Ų58.144%0.44229%0.292SS..Hα-helixtrans-64.6-45.6179.7-54.80000111.4Q286 T287 A292 Q293Q286-T290 WeakPolarHBondContact O-CB 3.34Å; Q286-T290 PolarHBondContact O-N 3.29Å; Q286-T290 PolarHBondContact O-OG1 3.03Å; T287-T290 PolarHBondContact O-N 3Å; T290-A292 VanDerWaalsContact C-N 3.25Å; T290-A292 PolarHBondContact O-N 2.71Å; T290-Q293 PolarHBondContact O-N 3.44Å; T290-Q293 VanDerWaalsContact O-N 3.12Å
291V90.9Very high88.4Confident14 Ų1456.1 Ų56.19%0.08528%0.278CS..Hα-helixtrans-64.5-32.3175.9174.30000111.3T287 Q293 S294 Q296 L302 A305 L306T287-V291 HydrophobicContact CG2-CG2 4.29Å; T287-V291 WeakPolarHBondContact O-CB 3.44Å; T287-V291 VanDerWaalsContact O-CG2 3.31Å; T287-V291 WeakPolarHBondContact O-CG2 3.39Å; T287-V291 PolarHBondContact O-N 3.41Å; V291-Q293 PolarHBondContact O-N 3.1Å; V291-S294 PolarHBondContact O-N 3.05Å; V291-S294 PolarHBondContact O-OG 3.1Å; V291-Q296 HydrophobicContact CG1-CG 4.32Å; V291-Q296 PolarHBondContact O-NE2 3.44Å; V291-L302 HydrophobicContact CG1-CD1 3.69Å; V291-A305 HydrophobicContact CG1-CB 4.16Å; V291-A305 HydrophobicContact CG2-CB 3.93Å; V291-L306 HydrophobicContact CB-CD2 3.84Å; V291-L306 HydrophobicContact CG1-CD2 3.82Å; V291-L306 HydrophobicContact CG1-CG 4.15Å; V291-L306 HydrophobicContact CG2-CD2 4.19Å
292A88.1Confident88.4Confident14 Ų1455.9 Ų55.912%0.11628%0.277CS..Hα-helixtrans-68.5-19.8175.400000113.8A288 V289 T290 V326 K327A288-A292 VanDerWaalsContact O-CB 3.23Å; A288-A292 WeakPolarHBondContact O-CB 3.47Å; A288-A292 PolarHBondContact O-N 3.39Å; V289-A292 WeakPolarHBondContact O-CB 3.41Å; V289-A292 PolarHBondContact O-N 3.13Å; T290-A292 VanDerWaalsContact C-N 3.25Å; T290-A292 PolarHBondContact O-N 2.71Å; A292-V326 HydrophobicContact CB-CG1 3.39Å; A292-K327 HydrophobicContact CB-CD 4.44Å; A292-K327 PolarHBondContact O-NZ 3.49Å
293Q85.2Confident88.5Confident142 Ų14249.5 Ų49.566%0.66425%0.247SC*.THydrogen-bonded Turntrans-83.6-13.4175.2-67.6174.3-9.700113.2V289 T290 V291V289-Q293 PolarHBondContact O-N 3.11Å; T290-Q293 PolarHBondContact O-N 3.44Å; T290-Q293 VanDerWaalsContact O-N 3.12Å; V291-Q293 PolarHBondContact O-N 3.1Å
294S82.4Confident88.4Confident54 Ų5444 Ų4438%0.37822%0.218SC..SBendtrans-102.815117941.40000112V291 Q296V291-S294 PolarHBondContact O-N 3.05Å; V291-S294 PolarHBondContact O-OG 3.1Å; S294-Q296 PolarHBondContact O-NE2 2.91Å; S294-Q296 PolarHBondContact OG-NE2 3.43Å
295E73.8Confident88.3Confident150 Ų15044.1 Ų44.170%0.70122%0.22SC*.PPolyproline II helixtrans-80.4119177.2-167.8-179.8-170.900110.3
296Q77.2Confident88.3Confident24 Ų2443.4 Ų43.411%0.11222%0.216CC..PPolyproline II helixtrans-102.5121.5179.5-51.5-51.9-35.400110.2V291 S294 L302 P343V291-Q296 HydrophobicContact CG1-CG 4.32Å; V291-Q296 PolarHBondContact O-NE2 3.44Å; S294-Q296 PolarHBondContact O-NE2 2.91Å; S294-Q296 PolarHBondContact OG-NE2 3.43Å; Q296-L302 HydrophobicContact CB-CB 4.08Å; Q296-L302 HydrophobicContact CG-CB 4.21Å; Q296-L302 HydrophobicContact CG-CD1 3.89Å; Q296-P343 HydrophobicContact CB-CG 4.48Å
297R80.5Confident88.2Confident193 Ų19338.8 Ų38.873%0.72820%0.196SC*.SBendtrans-82.2-16.8-176.3-62.8-177.6178.5-175.3-2113.9R141R141-R297 PolarHBondContact NH2-O 3.42Å
298S87.2Confident87.9Confident8 Ų838.7 Ų38.76%0.05619%0.193CC..  trans-149.5157.5-175.776.20000112.3E137 T300 D301 L302E137-S298 WeakPolarHBondContact OE1-CA 3.07Å; E137-S298 VanDerWaalsContact OE1-CB 3.28Å; E137-S298 WeakPolarHBondContact OE1-CB 2.87Å; S298-T300 VanDerWaalsContact C-N 3.32Å; S298-D301 VanDerWaalsContact OG-CB 3.24Å; S298-D301 WeakPolarHBondContact OG-CB 3.31Å; S298-D301 PolarHBondContact OG-N 3.48Å; S298-D301 PolarHBondContact OG-OD2 3.3Å; S298-L302 WeakPolarHBondContact O-CB 3.18Å; S298-L302 PolarHBondContact O-N 2.79Å; S298-L302 VanDerWaalsContact O-N 3.09Å
299F91.2Very high87.5Confident2 Ų242.8 Ų42.81%0.00922%0.215CC..Hα-helixtrans-68.1-36.9173.2-63.7-69.1000110.6E137 L302 I303 N341 P343 I346 L360 L364 Y367E137-F299 WeakPolarHBondContact OE1-CD2 3.46Å; E137-F299 PolarHBondContact OE1-N 3.45Å; F299-L302 PolarHBondContact O-N 3.33Å; F299-I303 WeakPolarHBondContact O-CB 3.39Å; F299-I303 WeakPolarHBondContact O-CG1 3.41Å; F299-I303 PolarHBondContact O-N 3.19Å; F299-N341 WeakPolarHBondContact CE2-O 3.21Å; F299-P343 HydrophobicContact CD1-CB 4.34Å; F299-P343 HydrophobicContact CD1-CG 3.74Å; F299-P343 HydrophobicContact CE1-CB 3.96Å; F299-P343 HydrophobicContact CE1-CG 3.72Å; F299-P343 HydrophobicContact CG-CG 4.4Å; F299-P343 HydrophobicContact CZ-CG 4.35Å; F299-I346 HydrophobicContact CE1-CD1 3.65Å; F299-I346 HydrophobicContact CE2-CD1 4.32Å; F299-I346 HydrophobicContact CZ-CD1 3.28Å; F299-I346 HydrophobicContact CZ-CG1 3.98Å; F299-L360 HydrophobicContact CE1-CD1 4.42Å; F299-L364 HydrophobicContact CD1-CD2 3.79Å; F299-Y367 HydrophobicContact CB-CD1 3.57Å; F299-Y367 HydrophobicContact CB-CD2 4.17Å; F299-Y367 HydrophobicContact CB-CE1 3.45Å; F299-Y367 VanDerWaalsContact CB-CE1 3.45Å; F299-Y367 HydrophobicContact CB-CE2 4.04Å; F299-Y367 HydrophobicContact CB-CG 3.93Å; F299-Y367 HydrophobicContact CD2-CE2 4.47Å; F299-Y367 HydrophobicContact CG-CE1 4.45Å; F299-Y367 HydrophobicContact CG-CE2 4.38Å
300T90.6Very high87.5Confident0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-60-48.4175.4-60.70000111.8Y130 Q133 E137 S298 R304Y130-T300 HydrophobicContact CD2-CG2 4.04Å; Y130-T300 HydrophobicContact CE2-CG2 3.9Å; Q133-T300 HydrophobicContact CB-CG2 4.36Å; Q133-T300 HydrophobicContact CG-CG2 4.2Å; E137-T300 WeakPolarHBondContact OE2-CB 3.12Å; E137-T300 PolarHBondContact OE2-N 3.44Å; E137-T300 VanDerWaalsContact OE2-N 3.11Å; E137-T300 PolarHBondContact OE2-OG1 2.97Å; S298-T300 VanDerWaalsContact C-N 3.32Å; T300-R304 WeakPolarHBondContact O-CB 3.4Å; T300-R304 VanDerWaalsContact O-CG 3.31Å; T300-R304 WeakPolarHBondContact O-CG 3.31Å; T300-R304 PolarHBondContact O-N 2.79Å
301D89.1Confident87.3Confident46 Ų4647.6 Ų47.625%0.24623%0.231CC..Hα-helixtrans-65.8-42.9179.8-63.7-36.5000111.1Y130 S298 R304 A305Y130-D301 VanDerWaalsContact CE2-OD1 3.23Å; Y130-D301 WeakPolarHBondContact CE2-OD1 3.39Å; Y130-D301 PolarHBondContact OH-OD1 3.29Å; S298-D301 VanDerWaalsContact OG-CB 3.24Å; S298-D301 WeakPolarHBondContact OG-CB 3.31Å; S298-D301 PolarHBondContact OG-N 3.48Å; S298-D301 PolarHBondContact OG-OD2 3.3Å; D301-R304 PolarHBondContact O-N 3.17Å; D301-A305 WeakPolarHBondContact O-CB 3.09Å; D301-A305 PolarHBondContact O-N 2.87Å
302L92.2Very high87.2Confident0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-57.9-52.9176.5171.161000111.4V291 Q296 S298 F299 R304 A305 L306 W323 P343 L364V291-L302 HydrophobicContact CG1-CD1 3.69Å; Q296-L302 HydrophobicContact CB-CB 4.08Å; Q296-L302 HydrophobicContact CG-CB 4.21Å; Q296-L302 HydrophobicContact CG-CD1 3.89Å; S298-L302 WeakPolarHBondContact O-CB 3.18Å; S298-L302 PolarHBondContact O-N 2.79Å; S298-L302 VanDerWaalsContact O-N 3.09Å; F299-L302 PolarHBondContact O-N 3.33Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.44Å; L302-A305 PolarHBondContact O-N 3.25Å; L302-L306 HydrophobicContact CD1-CD1 3.7Å; L302-L306 HydrophobicContact CD1-CG 3.87Å; L302-L306 HydrophobicContact CG-CD1 4.01Å; L302-L306 HydrophobicContact CG-CG 4.48Å; L302-L306 WeakPolarHBondContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CG 3.28Å; L302-L306 PolarHBondContact O-N 2.93Å; L302-W323 HydrophobicContact CD1-CD2 3.95Å; L302-W323 VanDerWaalsContact CD1-CE2 3.48Å; L302-W323 HydrophobicContact CD1-CG 4.13Å; L302-W323 HydrophobicContact CD1-CZ2 3.92Å; L302-W323 HydrophobicContact CD2-CD2 4.13Å; L302-W323 HydrophobicContact CD2-CE3 4.15Å; L302-W323 HydrophobicContact CD2-CH2 3.65Å; L302-W323 HydrophobicContact CD2-CZ2 3.58Å; L302-W323 HydrophobicContact CD2-CZ3 3.93Å; L302-W323 HydrophobicContact CG-CZ2 4.44Å; L302-P343 HydrophobicContact CB-CG 4.32Å; L302-P343 HydrophobicContact CD2-CB 3.7Å; L302-P343 HydrophobicContact CD2-CG 3.72Å; L302-L364 HydrophobicContact CD2-CD1 4.41Å; L302-L364 HydrophobicContact CD2-CD2 3.71Å
303I93.5Very high87.5Confident5 Ų552.2 Ų52.23%0.02626%0.255CS..Hα-helixtrans-64.1-40.4-178.2-71.2-55.1000111.3F299 A305 L306 T307 I320 L364 A368F299-I303 WeakPolarHBondContact O-CB 3.39Å; F299-I303 WeakPolarHBondContact O-CG1 3.41Å; F299-I303 PolarHBondContact O-N 3.19Å; I303-A305 VanDerWaalsContact C-N 3.35Å; I303-A305 PolarHBondContact O-N 2.84Å; I303-L306 HydrophobicContact CD1-CD1 4.5Å; I303-L306 PolarHBondContact O-N 2.91Å; I303-T307 HydrophobicContact CG2-CG2 4.09Å; I303-T307 WeakPolarHBondContact O-CB 3.3Å; I303-T307 VanDerWaalsContact O-CG2 3.29Å; I303-T307 WeakPolarHBondContact O-CG2 3.34Å; I303-T307 PolarHBondContact O-N 3.08Å; I303-T307 PolarHBondContact O-OG1 2.8Å; I303-I320 HydrophobicContact CD1-CD1 3.96Å; I303-I320 HydrophobicContact CD1-CG1 3.84Å; I303-L364 HydrophobicContact CD1-CB 3.96Å; I303-L364 HydrophobicContact CD1-CD2 3.89Å; I303-L364 HydrophobicContact CD1-CG 4.44Å; I303-L364 WeakPolarHBondContact CD1-O 3.43Å; I303-L364 HydrophobicContact CG1-CD2 4.22Å; I303-A368 HydrophobicContact CG2-CB 3.9Å
304R89.7Confident87.9Confident11 Ų1146 Ų464%0.04223%0.227CC..Hα-helixtrans-62.8-42.7176.4-73179.5-174.7-94.9-11.9111.8C38 Y126 L128 T300 D301 L302 T307 Q308C38-R304 PolarHBondContact O-NH1 3.04Å; Y126-R304 HydrophobicContact CD1-CG 4.3Å; Y126-R304 VanDerWaalsContact CD2-NH1 3.3Å; Y126-R304 HydrophobicContact CE1-CB 4.23Å; Y126-R304 HydrophobicContact CE1-CG 3.88Å; Y126-R304 HydrophobicContact CE2-CG 4.49Å; Y126-R304 VanDerWaalsContact CG-NH1 3.3Å; Y126-R304 PolarHBondContact OH-O 3.1Å; L128-R304 PolarHBondContact O-NH2 3.13Å; T300-R304 WeakPolarHBondContact O-CB 3.4Å; T300-R304 VanDerWaalsContact O-CG 3.31Å; T300-R304 WeakPolarHBondContact O-CG 3.31Å; T300-R304 PolarHBondContact O-N 2.79Å; D301-R304 PolarHBondContact O-N 3.17Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.44Å; R304-T307 PolarHBondContact O-N 3.27Å; R304-Q308 WeakPolarHBondContact O-CB 3.26Å; R304-Q308 PolarHBondContact O-N 2.72Å; R304-Q308 VanDerWaalsContact O-N 3.13Å
305A90.4Very high88.5Confident15 Ų1545.1 Ų45.112%0.12422%0.217CC..Hα-helixtrans-63.8-41.2176.500000112.4V291 D301 L302 I303V291-A305 HydrophobicContact CG1-CB 4.16Å; V291-A305 HydrophobicContact CG2-CB 3.93Å; D301-A305 WeakPolarHBondContact O-CB 3.09Å; D301-A305 PolarHBondContact O-N 2.87Å; L302-A305 PolarHBondContact O-N 3.25Å; I303-A305 VanDerWaalsContact C-N 3.35Å; I303-A305 PolarHBondContact O-N 2.84Å
306L93.1Very high89.6Confident2 Ų238.8 Ų38.81%0.0119%0.189CC..Hα-helixtrans-69.6-37.9178.8-72.5178.6000113.2A288 V291 L302 I303 A319 W323A288-L306 HydrophobicContact CB-CD2 4.06Å; V291-L306 HydrophobicContact CB-CD2 3.84Å; V291-L306 HydrophobicContact CG1-CD2 3.82Å; V291-L306 HydrophobicContact CG1-CG 4.15Å; V291-L306 HydrophobicContact CG2-CD2 4.19Å; L302-L306 HydrophobicContact CD1-CD1 3.7Å; L302-L306 HydrophobicContact CD1-CG 3.87Å; L302-L306 HydrophobicContact CG-CD1 4.01Å; L302-L306 HydrophobicContact CG-CG 4.48Å; L302-L306 WeakPolarHBondContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CG 3.28Å; L302-L306 PolarHBondContact O-N 2.93Å; I303-L306 HydrophobicContact CD1-CD1 4.5Å; I303-L306 PolarHBondContact O-N 2.91Å; L306-A319 HydrophobicContact CB-CB 4.1Å; L306-W323 HydrophobicContact CD1-CB 3.75Å; L306-W323 HydrophobicContact CD1-CG 3.92Å; L306-W323 HydrophobicContact CD2-CB 3.82Å; L306-W323 HydrophobicContact CD2-CG 4.06Å; L306-W323 HydrophobicContact CG-CB 4.45Å
307T91.1Very high90.5Very high18 Ų1837.7 Ų37.711%0.1118%0.184CC..Hα-helixtrans-99.8-1.7-168.261.30000114.3I303 R304 N309 C310 V316I303-T307 HydrophobicContact CG2-CG2 4.09Å; I303-T307 WeakPolarHBondContact O-CB 3.3Å; I303-T307 VanDerWaalsContact O-CG2 3.29Å; I303-T307 WeakPolarHBondContact O-CG2 3.34Å; I303-T307 PolarHBondContact O-N 3.08Å; I303-T307 PolarHBondContact O-OG1 2.8Å; R304-T307 PolarHBondContact O-N 3.27Å; T307-N309 PolarHBondContact O-N 3.42Å; T307-N309 VanDerWaalsContact O-N 3.1Å; T307-C310 WeakPolarHBondContact O-CB 3.24Å; T307-C310 PolarHBondContact O-N 2.81Å; T307-V316 HydrophobicContact CG2-CB 4.22Å; T307-V316 HydrophobicContact CG2-CG1 3.68Å; T307-V316 HydrophobicContact CG2-CG2 3.98Å
308Q85Confident91.3Very high30 Ų3028.5 Ų28.514%0.1415%0.149CC..THydrogen-bonded Turntrans-48.7-41.8-174.3174.5173.9-14.800114.2N63 H64 R125 Y126 R304N63-Q308 PolarHBondContact O-NE2 2.87Å; H64-Q308 PolarHBondContact CD2-NE2 2.76Å; H64-Q308 VanDerWaalsContact NE2-CG 3.26Å; H64-Q308 WeakPolarHBondContact NE2-CG 3.32Å; H64-Q308 PolarHBondContact NE2-NE2 3.34Å; H64-Q308 VanDerWaalsContact NE2-NE2 3.13Å; R125-Q308 PolarHBondContact NH1-O 3.44Å; Y126-Q308 WeakPolarHBondContact OH-CA 3.5Å; R304-Q308 WeakPolarHBondContact O-CB 3.26Å; R304-Q308 PolarHBondContact O-N 2.72Å; R304-Q308 VanDerWaalsContact O-N 3.13Å
309N84.9Confident91.7Very high86 Ų8628.1 Ų28.146%0.4615%0.146SC..THydrogen-bonded Turntrans-104-0.6-176.5-67.3-33.9000113.7T307T307-N309 PolarHBondContact O-N 3.42Å; T307-N309 VanDerWaalsContact O-N 3.1Å
310C89.9Confident92Very high14 Ų1428 Ų2810%0.09515%0.146CC..  trans-68.6141.1179.8-63.20000111R125 T307 E315 V316R125-C310 PolarHBondContact NH2-O 3.31Å; T307-C310 WeakPolarHBondContact O-CB 3.24Å; T307-C310 PolarHBondContact O-N 2.81Å; C310-E315 VanDerWaalsContact CA-OE2 3.26Å; C310-E315 WeakPolarHBondContact CA-OE2 3.33Å; C310-E315 HydrophobicContact CB-CB 3.92Å; C310-V316 HydrophobicContact CB-CG2 3.61Å
311K86.8Confident92.3Very high171 Ų17128 Ų2874%0.74315%0.146SC*.  trans-110.8-24.6180-61.3177.8-176.5174.10112.3E315K311-E315 PolarHBondContact N-OE2 3.29Å
312T90.5Very high92.5Very high66 Ų6626.5 Ų26.541%0.40514%0.137SC..SBendtrans-129.1156.6-176.868.50000110.7V314 E315 V316T312-V314 PolarHBondContact O-N 2.97Å; T312-E315 PolarHBondContact O-N 3.2Å; T312-E315 VanDerWaalsContact O-N 3.14Å; T312-E315 WeakPolarHBondContact OG1-CG 3.42Å; T312-E315 PolarHBondContact OG1-N 2.91Å; T312-V316 PolarHBondContact O-N 2.75Å; T312-V316 VanDerWaalsContact O-N 3.1Å
313D93.2Very high92.6Very high59 Ų5926.5 Ų26.532%0.31614%0.137SC..Hα-helixtrans-60.6-30.7174.5-60.5-42.5000112Y257 V316 A317 L370 L404Y257-D313 WeakPolarHBondContact CD2-OD2 3.37Å; Y257-D313 HydrophobicContact CE2-CB 4.39Å; Y257-D313 WeakPolarHBondContact CE2-OD2 3.43Å; D313-V316 WeakPolarHBondContact O-CB 3.46Å; D313-V316 PolarHBondContact O-N 3.08Å; D313-A317 WeakPolarHBondContact O-CB 3.41Å; D313-A317 PolarHBondContact O-N 2.76Å; D313-L370 HydrophobicContact CB-CD2 3.74Å; D313-L404 HydrophobicContact CB-CD2 3.96Å; D313-L404 WeakPolarHBondContact O-CD2 3.17Å
314V94.5Very high92.5Very high12 Ų1226.3 Ų26.37%0.07314%0.136CC..Hα-helixtrans-61.9-47.6175175.20000110.6V274 F281 T312 V316 A317 R318 L404 M450V274-V314 HydrophobicContact CG1-CG1 4.46Å; V274-V314 HydrophobicContact CG1-CG2 4.08Å; F281-V314 HydrophobicContact CE1-CG1 3.92Å; F281-V314 HydrophobicContact CZ-CG1 3.63Å; T312-V314 PolarHBondContact O-N 2.97Å; V314-V316 VanDerWaalsContact C-N 3.31Å; V314-V316 PolarHBondContact O-N 3.04Å; V314-A317 PolarHBondContact O-N 2.72Å; V314-R318 VanDerWaalsContact O-CB 3.22Å; V314-R318 WeakPolarHBondContact O-CB 3.4Å; V314-R318 PolarHBondContact O-N 3.38Å; V314-L404 HydrophobicContact CG2-CB 4.02Å; V314-M450 HydrophobicContact CG1-SD 3.71Å; V314-M450 HydrophobicContact CG2-CE 4.41Å; V314-M450 HydrophobicContact CG2-SD 4.27Å
315E95Very high92.5Very high35 Ų3525.8 Ų25.816%0.16413%0.134CC..Hα-helixtrans-63.1-37.5175.9-71.4172.8-163.600111.9F281 V284 C310 K311 T312 R318 A319F281-E315 HydrophobicContact CD1-CG 4.29Å; F281-E315 HydrophobicContact CE1-CG 4.08Å; V284-E315 WeakPolarHBondContact CG1-O 3.38Å; V284-E315 HydrophobicContact CG2-CB 4.08Å; V284-E315 HydrophobicContact CG2-CG 4.07Å; C310-E315 VanDerWaalsContact CA-OE2 3.26Å; C310-E315 WeakPolarHBondContact CA-OE2 3.33Å; C310-E315 HydrophobicContact CB-CB 3.92Å; K311-E315 PolarHBondContact N-OE2 3.29Å; T312-E315 PolarHBondContact O-N 3.2Å; T312-E315 VanDerWaalsContact O-N 3.14Å; T312-E315 WeakPolarHBondContact OG1-CG 3.42Å; T312-E315 PolarHBondContact OG1-N 2.91Å; E315-R318 WeakPolarHBondContact O-CB 3.27Å; E315-R318 PolarHBondContact O-N 3.06Å; E315-A319 WeakPolarHBondContact O-CB 3.35Å; E315-A319 PolarHBondContact O-N 2.97Å
316V95.8Very high92.4Very high18 Ų1825.4 Ų25.411%0.10913%0.13CC..Hα-helixtrans-62.7-51.4175.6168.80000111.1T307 C310 T312 D313 V314 R318 A319 I320 A368 L370T307-V316 HydrophobicContact CG2-CB 4.22Å; T307-V316 HydrophobicContact CG2-CG1 3.68Å; T307-V316 HydrophobicContact CG2-CG2 3.98Å; C310-V316 HydrophobicContact CB-CG2 3.61Å; T312-V316 PolarHBondContact O-N 2.75Å; T312-V316 VanDerWaalsContact O-N 3.1Å; D313-V316 WeakPolarHBondContact O-CB 3.46Å; D313-V316 PolarHBondContact O-N 3.08Å; V314-V316 VanDerWaalsContact C-N 3.31Å; V314-V316 PolarHBondContact O-N 3.04Å; V316-R318 PolarHBondContact O-N 3.48Å; V316-A319 PolarHBondContact O-N 2.93Å; V316-I320 HydrophobicContact CG1-CD1 4.25Å; V316-I320 WeakPolarHBondContact O-CG1 3.42Å; V316-I320 PolarHBondContact O-N 3.19Å; V316-I320 VanDerWaalsContact O-N 3.15Å; V316-A368 HydrophobicContact CG1-CB 3.63Å; V316-L370 HydrophobicContact CB-CD1 4.28Å; V316-L370 HydrophobicContact CG1-CD1 3.68Å; V316-L370 HydrophobicContact CG1-CG 4.25Å
317A97.6Very high92.1Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-62.1-36.4177.600000111.6D313 V314 I320 Y321 L370 L404 F449D313-A317 WeakPolarHBondContact O-CB 3.41Å; D313-A317 PolarHBondContact O-N 2.76Å; V314-A317 PolarHBondContact O-N 2.72Å; A317-I320 PolarHBondContact O-N 3.12Å; A317-Y321 WeakPolarHBondContact O-CB 3.27Å; A317-Y321 PolarHBondContact O-N 3.5Å; A317-L370 HydrophobicContact CB-CD1 4.01Å; A317-L404 HydrophobicContact CB-CD1 3.71Å; A317-L404 HydrophobicContact CB-CD2 3.68Å; A317-L404 HydrophobicContact CB-CG 4.34Å; A317-F449 HydrophobicContact CB-CE2 4.04Å; A317-F449 HydrophobicContact CB-CZ 4.2Å
318R95.9Very high91.6Very high0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-62.9-46.2174.9177.859.2175.2-142.9-14.8111.9F281 V284 D285 V314 E315 V316 I320 Y321 R322 Y444 D446 F449F281-R318 HydrophobicContact CB-CG 3.99Å; F281-R318 HydrophobicContact CD1-CB 4.17Å; F281-R318 HydrophobicContact CD1-CG 3.75Å; F281-R318 HydrophobicContact CD2-CG 4.27Å; F281-R318 HydrophobicContact CE1-CB 4.3Å; F281-R318 HydrophobicContact CE1-CG 4.3Å; F281-R318 HydrophobicContact CG-CG 3.74Å; V284-R318 HydrophobicContact CG1-CB 4.25Å; V284-R318 HydrophobicContact CG1-CG 3.97Å; D285-R318 IonicContact OD1-CZ 3.82Å; D285-R318 IonicContact OD1-NE 2.67Å; D285-R318 PolarHBondContact OD1-NE 3.09Å; D285-R318 IonicContact OD1-NH2 3.6Å; D285-R318 IonicContact OD2-CZ 2.98Å; D285-R318 IonicContact OD2-NE 2.7Å; D285-R318 IonicContact OD2-NH2 3.38Å; D285-R318 PolarHBondContact OD2-NH2 3.26Å; V314-R318 VanDerWaalsContact O-CB 3.22Å; V314-R318 WeakPolarHBondContact O-CB 3.4Å; V314-R318 PolarHBondContact O-N 3.38Å; E315-R318 WeakPolarHBondContact O-CB 3.27Å; E315-R318 PolarHBondContact O-N 3.06Å; V316-R318 PolarHBondContact O-N 3.48Å; R318-I320 VanDerWaalsContact C-N 3.3Å; R318-I320 PolarHBondContact O-N 2.86Å; R318-Y321 PolarHBondContact O-N 2.79Å; R318-R322 VanDerWaalsContact O-CB 3.24Å; R318-R322 WeakPolarHBondContact O-CB 3.42Å; R318-R322 PolarHBondContact O-N 3.23Å; R318-Y444 PolarHBondContact NH2-OH 2.9Å; R318-D446 IonicContact CZ-OD1 2.76Å; R318-D446 IonicContact NH1-OD1 3.93Å; R318-D446 PolarHBondContact NH1-OD1 2.91Å; R318-D446 IonicContact NH2-OD1 3.28Å; R318-F449 HydrophobicContact CB-CE1 4Å; R318-F449 HydrophobicContact CB-CE2 4.47Å; R318-F449 HydrophobicContact CB-CZ 3.73Å; R318-F449 HydrophobicContact CG-CE1 4.47Å
319A96.4Very high91.3Very high0 Ų025.7 Ų25.70%013%0.131CC..Hα-helixtrans-58.8-43.4177.600000111.5V284 L306 E315 V316 W323V284-A319 HydrophobicContact CG1-CB 3.72Å; L306-A319 HydrophobicContact CB-CB 4.1Å; E315-A319 WeakPolarHBondContact O-CB 3.35Å; E315-A319 PolarHBondContact O-N 2.97Å; V316-A319 PolarHBondContact O-N 2.93Å; A319-W323 WeakPolarHBondContact O-CB 3.36Å; A319-W323 PolarHBondContact O-N 3.05Å
320I96.9Very high90.9Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-63.6-52.4176.2-65.3167.8000110.6I303 V316 A317 R318 R322 W323 I324 F361 L364 A368I303-I320 HydrophobicContact CD1-CD1 3.96Å; I303-I320 HydrophobicContact CD1-CG1 3.84Å; V316-I320 HydrophobicContact CG1-CD1 4.25Å; V316-I320 WeakPolarHBondContact O-CG1 3.42Å; V316-I320 PolarHBondContact O-N 3.19Å; V316-I320 VanDerWaalsContact O-N 3.15Å; A317-I320 PolarHBondContact O-N 3.12Å; R318-I320 VanDerWaalsContact C-N 3.3Å; R318-I320 PolarHBondContact O-N 2.86Å; I320-R322 VanDerWaalsContact C-N 3.28Å; I320-R322 PolarHBondContact O-N 2.65Å; I320-W323 PolarHBondContact O-N 2.68Å; I320-I324 HydrophobicContact CG2-CD1 4.3Å; I320-I324 WeakPolarHBondContact O-CG1 3.01Å; I320-I324 PolarHBondContact O-N 3.34Å; I320-F361 HydrophobicContact CB-CE2 4.27Å; I320-F361 HydrophobicContact CG2-CD2 3.62Å; I320-F361 HydrophobicContact CG2-CE2 3.72Å; I320-L364 HydrophobicContact CD1-CB 4.27Å; I320-L364 HydrophobicContact CG1-CB 4.34Å; I320-L364 HydrophobicContact CG2-CB 3.53Å; I320-L364 HydrophobicContact CG2-CD1 3.8Å; I320-L364 HydrophobicContact CG2-CG 4.32Å; I320-A368 HydrophobicContact CD1-CB 3.87Å
321Y96.3Very high90.4Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-56-45.5178.4174.3-103000111.1A317 R318 I324 T325 V411 G416 Y444 D445 F449A317-Y321 WeakPolarHBondContact O-CB 3.27Å; A317-Y321 PolarHBondContact O-N 3.5Å; R318-Y321 PolarHBondContact O-N 2.79Å; Y321-I324 PolarHBondContact O-N 3.15Å; Y321-T325 HydrophobicContact CD1-CG2 4.37Å; Y321-T325 HydrophobicContact CD2-CG2 4.08Å; Y321-T325 HydrophobicContact CE1-CG2 4.01Å; Y321-T325 HydrophobicContact CE2-CG2 3.68Å; Y321-T325 HydrophobicContact CG-CG2 4.41Å; Y321-T325 WeakPolarHBondContact O-CB 3.39Å; Y321-T325 WeakPolarHBondContact O-CG2 3.22Å; Y321-T325 PolarHBondContact O-N 2.95Å; Y321-T325 PolarHBondContact O-OG1 3.04Å; Y321-V411 HydrophobicContact CD2-CG1 3.61Å; Y321-V411 HydrophobicContact CE2-CG1 4.1Å; Y321-G416 WeakPolarHBondContact OH-CA 3.18Å; Y321-Y444 AromaticContact CE1-CD2 3.88Å; Y321-Y444 HydrophobicContact CE1-CD2 3.88Å; Y321-Y444 HydrophobicContact CE1-CE2 4.44Å; Y321-D445 PolarHBondContact OH-O 2.64Å; Y321-F449 HydrophobicContact CD1-CB 3.86Å; Y321-F449 AromaticContact CD1-CD2 3.97Å; Y321-F449 HydrophobicContact CD1-CD2 3.97Å; Y321-F449 HydrophobicContact CD1-CG 4.01Å; Y321-F449 HydrophobicContact CD2-CB 4.39Å; Y321-F449 HydrophobicContact CD2-CD2 4.15Å; Y321-F449 HydrophobicContact CE1-CB 3.66Å; Y321-F449 HydrophobicContact CE1-CG 4.33Å; Y321-F449 HydrophobicContact CE2-CB 4.21Å; Y321-F449 HydrophobicContact CG-CB 4.21Å; Y321-F449 AromaticContact CG-CD2 3.69Å; Y321-F449 HydrophobicContact CG-CD2 3.69Å; Y321-F449 HydrophobicContact CG-CE2 4.46Å; Y321-F449 HydrophobicContact CG-CG 4.2Å
322R93.7Very high90.1Very high15 Ų1525.9 Ų25.96%0.05714%0.138CC..Hα-helixtrans-66.4-41.8-179.5-171.466.9-179135-9.1112.3D285 A288 R318 I320 I324 T325 V326 Y442D285-R322 HydrophobicContact CB-CG 4.14Å; A288-R322 HydrophobicContact CB-CB 3.7Å; A288-R322 HydrophobicContact CB-CG 3.68Å; R318-R322 VanDerWaalsContact O-CB 3.24Å; R318-R322 WeakPolarHBondContact O-CB 3.42Å; R318-R322 PolarHBondContact O-N 3.23Å; I320-R322 VanDerWaalsContact C-N 3.28Å; I320-R322 PolarHBondContact O-N 2.65Å; R322-I324 VanDerWaalsContact C-N 3.31Å; R322-I324 PolarHBondContact O-N 2.88Å; R322-T325 WeakPolarHBondContact CA-OG1 3.25Å; R322-T325 PolarHBondContact O-N 2.91Å; R322-T325 PolarHBondContact O-OG1 3.12Å; R322-V326 WeakPolarHBondContact O-CB 3.26Å; R322-V326 WeakPolarHBondContact O-CG1 3.12Å; R322-V326 PolarHBondContact O-N 2.99Å; R322-Y442 PolarHBondContact NH1-O 2.67Å; R322-Y442 PolarHBondContact NH2-O 3.23Å
323W93.7Very high89.7Confident0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-63.8-35.1176.4-179.688.5000112.7A288 L302 L306 A319 I320 V326 K327 P343 M344 L347 L360 L364A288-W323 HydrophobicContact CB-CB 4.32Å; L302-W323 HydrophobicContact CD1-CD2 3.95Å; L302-W323 VanDerWaalsContact CD1-CE2 3.48Å; L302-W323 HydrophobicContact CD1-CG 4.13Å; L302-W323 HydrophobicContact CD1-CZ2 3.92Å; L302-W323 HydrophobicContact CD2-CD2 4.13Å; L302-W323 HydrophobicContact CD2-CE3 4.15Å; L302-W323 HydrophobicContact CD2-CH2 3.65Å; L302-W323 HydrophobicContact CD2-CZ2 3.58Å; L302-W323 HydrophobicContact CD2-CZ3 3.93Å; L302-W323 HydrophobicContact CG-CZ2 4.44Å; L306-W323 HydrophobicContact CD1-CB 3.75Å; L306-W323 HydrophobicContact CD1-CG 3.92Å; L306-W323 HydrophobicContact CD2-CB 3.82Å; L306-W323 HydrophobicContact CD2-CG 4.06Å; L306-W323 HydrophobicContact CG-CB 4.45Å; A319-W323 WeakPolarHBondContact O-CB 3.36Å; A319-W323 PolarHBondContact O-N 3.05Å; I320-W323 PolarHBondContact O-N 2.68Å; W323-V326 WeakPolarHBondContact O-CG1 2.94Å; W323-K327 VanDerWaalsContact O-CG 3.25Å; W323-K327 WeakPolarHBondContact O-CG 3.48Å; W323-P343 HydrophobicContact CH2-CB 3.62Å; W323-P343 HydrophobicContact CZ2-CB 4.03Å; W323-M344 HydrophobicContact CH2-CE 3.95Å; W323-M344 HydrophobicContact CZ2-CE 3.44Å; W323-M344 VanDerWaalsContact CZ2-CE 3.44Å; W323-L347 HydrophobicContact CH2-CD1 3.81Å; W323-L347 HydrophobicContact CH2-CG 4.4Å; W323-L347 HydrophobicContact CZ2-CD1 4.36Å; W323-L347 HydrophobicContact CZ3-CD1 4.38Å; W323-L360 HydrophobicContact CZ3-CD2 4.28Å; W323-L364 HydrophobicContact CE3-CD1 3.88Å; W323-L364 HydrophobicContact CZ3-CD1 3.88Å
324I92.3Very high89Confident0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-70.6-50.2173.5-65.8177.2000110.2I320 Y321 R322 V326 K327 Y357 L360 F361 L364 C413I320-I324 HydrophobicContact CG2-CD1 4.3Å; I320-I324 WeakPolarHBondContact O-CG1 3.01Å; I320-I324 PolarHBondContact O-N 3.34Å; Y321-I324 PolarHBondContact O-N 3.15Å; R322-I324 VanDerWaalsContact C-N 3.31Å; R322-I324 PolarHBondContact O-N 2.88Å; I324-V326 VanDerWaalsContact C-N 3.3Å; I324-V326 PolarHBondContact O-N 3.38Å; I324-K327 WeakPolarHBondContact O-CB 3.27Å; I324-K327 PolarHBondContact O-N 2.97Å; I324-Y357 HydrophobicContact CG2-CD1 3.46Å; I324-Y357 VanDerWaalsContact CG2-CD1 3.46Å; I324-Y357 HydrophobicContact CG2-CE1 3.7Å; I324-L360 HydrophobicContact CD1-CD2 4.27Å; I324-L360 HydrophobicContact CD1-CG 4.08Å; I324-L360 HydrophobicContact CG1-CD2 4.17Å; I324-L360 HydrophobicContact CG1-CG 4.41Å; I324-F361 HydrophobicContact CD1-CB 3.85Å; I324-F361 HydrophobicContact CD1-CD2 3.89Å; I324-F361 HydrophobicContact CD1-CG 4.39Å; I324-L364 HydrophobicContact CD1-CD1 4.12Å; I324-L364 HydrophobicContact CG1-CD1 4.12Å; I324-C413 HydrophobicContact CG2-CB 3.93Å
325T90.6Very high88.3Confident0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-71.7-20.2-17252.30000114.1Y321 R322 K327 A417 L420Y321-T325 HydrophobicContact CD1-CG2 4.37Å; Y321-T325 HydrophobicContact CD2-CG2 4.08Å; Y321-T325 HydrophobicContact CE1-CG2 4.01Å; Y321-T325 HydrophobicContact CE2-CG2 3.68Å; Y321-T325 HydrophobicContact CG-CG2 4.41Å; Y321-T325 WeakPolarHBondContact O-CB 3.39Å; Y321-T325 WeakPolarHBondContact O-CG2 3.22Å; Y321-T325 PolarHBondContact O-N 2.95Å; Y321-T325 PolarHBondContact O-OG1 3.04Å; R322-T325 WeakPolarHBondContact CA-OG1 3.25Å; R322-T325 PolarHBondContact O-N 2.91Å; R322-T325 PolarHBondContact O-OG1 3.12Å; T325-K327 VanDerWaalsContact C-N 3.3Å; T325-A417 HydrophobicContact CG2-CB 4.28Å; T325-L420 WeakPolarHBondContact O-CD1 3.37Å
326V88.4Confident87.3Confident7 Ų743.3 Ų43.34%0.04222%0.215CC..THydrogen-bonded Turntrans-75.8-18.4174.775.90000112.6V289 A292 R322 W323 I324 N328 Y442V289-V326 HydrophobicContact CG2-CG2 3.96Å; A292-V326 HydrophobicContact CB-CG1 3.39Å; R322-V326 WeakPolarHBondContact O-CB 3.26Å; R322-V326 WeakPolarHBondContact O-CG1 3.12Å; R322-V326 PolarHBondContact O-N 2.99Å; W323-V326 WeakPolarHBondContact O-CG1 2.94Å; I324-V326 VanDerWaalsContact C-N 3.3Å; I324-V326 PolarHBondContact O-N 3.38Å; V326-N328 PolarHBondContact O-N 3.31Å; V326-Y442 HydrophobicContact CB-CD1 4.36Å; V326-Y442 HydrophobicContact CG2-CD1 3.13Å; V326-Y442 HydrophobicContact CG2-CD2 4.13Å; V326-Y442 HydrophobicContact CG2-CE1 3.4Å; V326-Y442 VanDerWaalsContact CG2-CE1 3.4Å; V326-Y442 HydrophobicContact CG2-CE2 4.35Å; V326-Y442 HydrophobicContact CG2-CG 3.52Å
327K85.1Confident86.3Confident17 Ų1751.5 Ų51.57%0.07425%0.253CS..  trans-81.898.5-177.4-64.7-74.1-173.9174.10110.6A292 W323 I324 T325 L329 M332 M344 L347A292-K327 HydrophobicContact CB-CD 4.44Å; A292-K327 PolarHBondContact O-NZ 3.49Å; W323-K327 VanDerWaalsContact O-CG 3.25Å; W323-K327 WeakPolarHBondContact O-CG 3.48Å; I324-K327 WeakPolarHBondContact O-CB 3.27Å; I324-K327 PolarHBondContact O-N 2.97Å; T325-K327 VanDerWaalsContact C-N 3.3Å; K327-L329 PolarHBondContact O-N 3.19Å; K327-M332 HydrophobicContact CB-SD 3.85Å; K327-M332 HydrophobicContact CD-CE 4.03Å; K327-M332 HydrophobicContact CD-SD 3.86Å; K327-M332 HydrophobicContact CG-SD 4.43Å; K327-M344 HydrophobicContact CD-CE 4.5Å; K327-M344 VanDerWaalsContact NZ-CE 3.32Å; K327-L347 HydrophobicContact CB-CD1 4.21Å; K327-L347 HydrophobicContact CB-CD2 4.41Å; K327-L347 HydrophobicContact CD-CD1 3.98Å; K327-L347 HydrophobicContact CG-CD1 3.82Å
328N80.9Confident85.1Confident26 Ų2653 Ų5314%0.13926%0.26CS..  trans-76.893.1176.3-167.8-21.8000111.7V326 N330 L331 M332 L420V326-N328 PolarHBondContact O-N 3.31Å; N328-N330 PolarHBondContact O-N 3.33Å; N328-N330 VanDerWaalsContact O-N 3.12Å; N328-N330 VanDerWaalsContact OD1-CB 3.31Å; N328-N330 WeakPolarHBondContact OD1-CB 3.28Å; N328-N330 PolarHBondContact OD1-N 3.5Å; N328-L331 HydrophobicContact CB-CB 4.3Å; N328-L331 HydrophobicContact CB-CD1 4.34Å; N328-L331 HydrophobicContact CB-CG 4.34Å; N328-L331 PolarHBondContact O-N 2.86Å; N328-M332 VanDerWaalsContact O-CG 3.29Å; N328-M332 WeakPolarHBondContact O-CG 3.36Å; N328-M332 PolarHBondContact O-N 2.97Å; N328-L420 HydrophobicContact CB-CD1 4.15Å; N328-L420 PolarHBondContact ND2-O 3.33Å; N328-L420 VanDerWaalsContact ND2-O 3.1Å
329L79.3Confident84.1Confident14 Ų1456 Ų567%0.07328%0.277CS..THydrogen-bonded Turntrans-59.8-23.4179-61.3-172.4000114K327 L331 M332 F334 L347 I350 K351 Y357K327-L329 PolarHBondContact O-N 3.19Å; L329-L331 VanDerWaalsContact C-N 3.33Å; L329-M332 HydrophobicContact CD2-SD 4.12Å; L329-F334 HydrophobicContact CD2-CE2 4.46Å; L329-F334 HydrophobicContact CD2-CZ 4.08Å; L329-L347 HydrophobicContact CD2-CB 4.01Å; L329-L347 HydrophobicContact CD2-CD2 4.17Å; L329-I350 HydrophobicContact CD1-CB 3.85Å; L329-I350 HydrophobicContact CD1-CG2 3.47Å; L329-I350 VanDerWaalsContact CD1-CG2 3.47Å; L329-K351 HydrophobicContact CB-CB 4.46Å; L329-K351 HydrophobicContact CD1-CB 4.44Å; L329-K351 WeakPolarHBondContact O-CD 3.5Å; L329-K351 WeakPolarHBondContact O-CE 3.34Å; L329-K351 PolarHBondContact O-NZ 3Å; L329-Y357 HydrophobicContact CD1-CE1 4.3Å; L329-Y357 HydrophobicContact CD1-CE2 4.29Å; L329-Y357 WeakPolarHBondContact CD1-OH 3.45Å; L329-Y357 WeakPolarHBondContact CG-OH 3.28Å
330N77.2Confident82.9Confident145 Ų14559.1 Ų59.178%0.77530%0.297SS*.THydrogen-bonded Turntrans-70-32.9176.4-61.3-35.7000111.6N328N328-N330 PolarHBondContact O-N 3.33Å; N328-N330 VanDerWaalsContact O-N 3.12Å; N328-N330 VanDerWaalsContact OD1-CB 3.31Å; N328-N330 WeakPolarHBondContact OD1-CB 3.28Å; N328-N330 PolarHBondContact OD1-N 3.5Å
331L79.1Confident81.8Confident90 Ų9059.4 Ų59.447%0.47130%0.298SS..THydrogen-bonded Turntrans-91.7-28.3178.2-65.4-176.2000113.9N328 L329 E333 N422N328-L331 HydrophobicContact CB-CB 4.3Å; N328-L331 HydrophobicContact CB-CD1 4.34Å; N328-L331 HydrophobicContact CB-CG 4.34Å; N328-L331 PolarHBondContact O-N 2.86Å; L329-L331 VanDerWaalsContact C-N 3.33Å; L331-E333 PolarHBondContact O-N 3.44Å; L331-N422 VanDerWaalsContact CD1-OD1 3.29Å; L331-N422 WeakPolarHBondContact CD1-OD1 3.48Å
332M81Confident81Confident40 Ų4060.1 Ų60.120%0.19730%0.303CS..  trans-69125.9-174.4-73.6177.87300111.8K327 N328 L329 F334 M344 L347 K351K327-M332 HydrophobicContact CB-SD 3.85Å; K327-M332 HydrophobicContact CD-CE 4.03Å; K327-M332 HydrophobicContact CD-SD 3.86Å; K327-M332 HydrophobicContact CG-SD 4.43Å; N328-M332 VanDerWaalsContact O-CG 3.29Å; N328-M332 WeakPolarHBondContact O-CG 3.36Å; N328-M332 PolarHBondContact O-N 2.97Å; L329-M332 HydrophobicContact CD2-SD 4.12Å; M332-F334 HydrophobicContact CB-CE2 3.97Å; M332-F334 HydrophobicContact CB-CZ 4.01Å; M332-F334 HydrophobicContact CE-CE1 3.75Å; M332-F334 HydrophobicContact CE-CZ 3.74Å; M332-F334 HydrophobicContact SD-CZ 4.32Å; M332-M344 HydrophobicContact CE-SD 3.91Å; M332-L347 HydrophobicContact CE-CD1 4.41Å; M332-K351 PolarHBondContact O-NZ 3.27Å
333E80.5Confident80.4Confident185 Ų18559.4 Ų59.486%0.86430%0.3SS*.  trans-96.1143.7167.5-63.4-174.2171.700109.2L331L331-E333 PolarHBondContact O-N 3.44Å
334F80.1Confident79.7Confident36 Ų3660.4 Ų60.416%0.15831%0.305CS..  trans-125.2129.7-177.2-64.4-81.8000109.3L329 M332 L338 L347 R348 K351L329-F334 HydrophobicContact CD2-CE2 4.46Å; L329-F334 HydrophobicContact CD2-CZ 4.08Å; M332-F334 HydrophobicContact CB-CE2 3.97Å; M332-F334 HydrophobicContact CB-CZ 4.01Å; M332-F334 HydrophobicContact CE-CE1 3.75Å; M332-F334 HydrophobicContact CE-CZ 3.74Å; M332-F334 HydrophobicContact SD-CZ 4.32Å; F334-L338 HydrophobicContact CB-CD2 4.39Å; F334-L338 HydrophobicContact CD1-CD2 3.73Å; F334-L338 HydrophobicContact CG-CD2 4.47Å; F334-L347 HydrophobicContact CE1-CB 4.16Å; F334-L347 HydrophobicContact CZ-CB 3.96Å; F334-R348 HydrophobicContact CB-CB 4.21Å; F334-R348 HydrophobicContact CB-CG 3.8Å; F334-R348 HydrophobicContact CD1-CB 3.7Å; F334-R348 HydrophobicContact CD1-CG 4.25Å; F334-R348 HydrophobicContact CD2-CB 4.04Å; F334-R348 HydrophobicContact CD2-CG 4.07Å; F334-R348 HydrophobicContact CE1-CB 3.96Å; F334-R348 HydrophobicContact CE2-CB 4.29Å; F334-R348 HydrophobicContact CG-CB 3.72Å; F334-R348 HydrophobicContact CG-CG 3.79Å; F334-R348 HydrophobicContact CZ-CB 4.25Å; F334-K351 HydrophobicContact CD2-CD 3.85Å; F334-K351 HydrophobicContact CE2-CB 4.1Å; F334-K351 HydrophobicContact CE2-CD 3.62Å; F334-K351 HydrophobicContact CE2-CG 4.49Å
335D79.1Confident79.1Confident129 Ų12960.7 Ų60.769%0.6931%0.308SS*.  trans-62.6151174.6-62.1-38.5000111.3E337 L338D335-E337 VanDerWaalsContact C-N 3.29Å; D335-E337 PolarHBondContact O-N 2.79Å; D335-L338 WeakPolarHBondContact O-CB 3.42Å; D335-L338 PolarHBondContact O-N 3.33Å
336Q73.3Confident78.7Confident187 Ų18760.8 Ų60.887%0.87431%0.308SS*.THydrogen-bonded Turntrans-70.7-27.5178.6-66.9-173.49.900112.5L338Q336-L338 VanDerWaalsContact C-N 3.3Å
337E75Confident78.5Confident191 Ų19160.4 Ų60.489%0.89331%0.306SS*.THydrogen-bonded Turntrans-87.64-179.5-60.8-176.2173.900113.4D335 D339D335-E337 VanDerWaalsContact C-N 3.29Å; D335-E337 PolarHBondContact O-N 2.79Å; E337-D339 PolarHBondContact O-N 3.25Å
338L73.4Confident78.4Confident31 Ų3163.7 Ų63.716%0.16232%0.318CS..  trans-60.3125.2-178.9-17572.2000111F334 D335 Q336 P340 M344 R348F334-L338 HydrophobicContact CB-CD2 4.39Å; F334-L338 HydrophobicContact CD1-CD2 3.73Å; F334-L338 HydrophobicContact CG-CD2 4.47Å; D335-L338 WeakPolarHBondContact O-CB 3.42Å; D335-L338 PolarHBondContact O-N 3.33Å; Q336-L338 VanDerWaalsContact C-N 3.3Å; L338-P340 WeakPolarHBondContact O-CD 3.31Å; L338-P340 VanDerWaalsContact O-N 3.17Å; L338-M344 HydrophobicContact CD1-CB 4.02Å; L338-M344 HydrophobicContact CD2-CB 4.02Å; L338-R348 HydrophobicContact CD2-CB 4.01Å
339D73.9Confident78.5Confident64 Ų6462.7 Ų62.734%0.34231%0.314SS..  trans-61116.6175.3175.48.1000110.1E337 N341 T342 G345E337-D339 PolarHBondContact O-N 3.25Å; D339-N341 PolarHBondContact O-N 3Å; D339-N341 VanDerWaalsContact O-N 3.15Å; D339-N341 WeakPolarHBondContact OD1-CB 3.35Å; D339-N341 PolarHBondContact OD1-N 3.43Å; D339-N341 PolarHBondContact OD1-ND2 3.01Å; D339-N341 VanDerWaalsContact OD1-ND2 3.08Å; D339-T342 HydrophobicContact CB-CG2 3.85Å; D339-T342 PolarHBondContact O-N 3.01Å; D339-T342 PolarHBondContact O-OG1 3Å; D339-G345 WeakPolarHBondContact O-CA 3.41Å
340P72.2Confident78.8Confident64 Ų6463 Ų6342%0.41632%0.315SS..THydrogen-bonded Turntrans-61.9-21.6-178.625.7-34.6000113L338 T342 G345L338-P340 WeakPolarHBondContact O-CD 3.31Å; L338-P340 VanDerWaalsContact O-N 3.17Å; P340-T342 VanDerWaalsContact C-N 3.3Å; P340-T342 PolarHBondContact O-N 3.43Å; P340-G345 CarbonylContact O-C 3.58Å
341N73.6Confident79.1Confident6 Ų659.9 Ų59.93%0.03230%0.295CS..THydrogen-bonded Turntrans-84.1-2.6-178.1-57.7-63000113.7R141 E144 D145 F299 D339R141-N341 HydrophobicContact CG-CB 4.12Å; E144-N341 WeakPolarHBondContact CB-OD1 3.46Å; D145-N341 PolarHBondContact OD1-ND2 3.21Å; F299-N341 WeakPolarHBondContact CE2-O 3.21Å; D339-N341 PolarHBondContact O-N 3Å; D339-N341 VanDerWaalsContact O-N 3.15Å; D339-N341 WeakPolarHBondContact OD1-CB 3.35Å; D339-N341 PolarHBondContact OD1-N 3.43Å; D339-N341 PolarHBondContact OD1-ND2 3.01Å; D339-N341 VanDerWaalsContact OD1-ND2 3.08Å
342T78.8Confident79.2Confident16 Ų1660.7 Ų60.710%0.09830%0.295CS..SBendtrans-82.4159.6173.763.40000110.9D339 P340 M344 G345 I346D339-T342 HydrophobicContact CB-CG2 3.85Å; D339-T342 PolarHBondContact O-N 3.01Å; D339-T342 PolarHBondContact O-OG1 3Å; P340-T342 VanDerWaalsContact C-N 3.3Å; P340-T342 PolarHBondContact O-N 3.43Å; T342-M344 PolarHBondContact O-N 2.91Å; T342-G345 WeakPolarHBondContact O-CA 3.49Å; T342-G345 PolarHBondContact O-N 3.01Å; T342-G345 PolarHBondContact OG1-N 3.17Å; T342-I346 PolarHBondContact O-N 3.45Å
343P80.4Confident79.1Confident0 Ų060 Ų600%030%0.298CS..Hα-helixtrans-53.4-35169.3-24.231.1000113.4Q296 F299 L302 W323 L347Q296-P343 HydrophobicContact CB-CG 4.48Å; F299-P343 HydrophobicContact CD1-CB 4.34Å; F299-P343 HydrophobicContact CD1-CG 3.74Å; F299-P343 HydrophobicContact CE1-CB 3.96Å; F299-P343 HydrophobicContact CE1-CG 3.72Å; F299-P343 HydrophobicContact CG-CG 4.4Å; F299-P343 HydrophobicContact CZ-CG 4.35Å; L302-P343 HydrophobicContact CB-CG 4.32Å; L302-P343 HydrophobicContact CD2-CB 3.7Å; L302-P343 HydrophobicContact CD2-CG 3.72Å; W323-P343 HydrophobicContact CH2-CB 3.62Å; W323-P343 HydrophobicContact CZ2-CB 4.03Å; P343-L347 WeakPolarHBondContact O-CG 3.48Å; P343-L347 PolarHBondContact O-N 3.01Å
344M80.1Confident79.1Confident20 Ų2053.1 Ų53.110%0.09927%0.268CS..Hα-helixtrans-69-38.4173.4-69.4-56.6112.100112.1W323 K327 M332 L338 T342 I346 L347 R348W323-M344 HydrophobicContact CH2-CE 3.95Å; W323-M344 HydrophobicContact CZ2-CE 3.44Å; W323-M344 VanDerWaalsContact CZ2-CE 3.44Å; K327-M344 HydrophobicContact CD-CE 4.5Å; K327-M344 VanDerWaalsContact NZ-CE 3.32Å; M332-M344 HydrophobicContact CE-SD 3.91Å; L338-M344 HydrophobicContact CD1-CB 4.02Å; L338-M344 HydrophobicContact CD2-CB 4.02Å; T342-M344 PolarHBondContact O-N 2.91Å; M344-I346 VanDerWaalsContact C-N 3.33Å; M344-I346 PolarHBondContact O-N 3.35Å; M344-L347 HydrophobicContact CE-CD1 3.57Å; M344-L347 PolarHBondContact O-N 3.34Å; M344-L347 HydrophobicContact SD-CD1 3.96Å; M344-R348 PolarHBondContact O-N 2.9Å
345G79.3Confident79.4Confident6 Ų652.1 Ų52.16%0.06226%0.264CS..Hα-helixtrans-56.7-42.5173.400000113D339 P340 T342 R348 G349D339-G345 WeakPolarHBondContact O-CA 3.41Å; P340-G345 CarbonylContact O-C 3.58Å; T342-G345 WeakPolarHBondContact O-CA 3.49Å; T342-G345 PolarHBondContact O-N 3.01Å; T342-G345 PolarHBondContact OG1-N 3.17Å; G345-R348 WeakPolarHBondContact O-CB 3.32Å; G345-R348 PolarHBondContact O-N 2.85Å; G345-G349 PolarHBondContact O-N 3.42Å
346I82.4Confident79.9Confident2 Ų247.1 Ų47.11%0.0124%0.239CC..Hα-helixtrans-67.1-44.3174-59.8-175000111.5F299 T342 M344 R348 G349 I350 E355 L360 R363F299-I346 HydrophobicContact CE1-CD1 3.65Å; F299-I346 HydrophobicContact CE2-CD1 4.32Å; F299-I346 HydrophobicContact CZ-CD1 3.28Å; F299-I346 HydrophobicContact CZ-CG1 3.98Å; T342-I346 PolarHBondContact O-N 3.45Å; M344-I346 VanDerWaalsContact C-N 3.33Å; M344-I346 PolarHBondContact O-N 3.35Å; I346-R348 PolarHBondContact O-N 3.4Å; I346-G349 CarbonylContact O-C 3.55Å; I346-G349 VanDerWaalsContact O-CA 3.31Å; I346-G349 WeakPolarHBondContact O-CA 3.45Å; I346-G349 PolarHBondContact O-N 3.26Å; I346-I350 HydrophobicContact CG2-CD1 4.3Å; I346-I350 HydrophobicContact CG2-CG1 4.42Å; I346-I350 WeakPolarHBondContact O-CG1 3.46Å; I346-I350 PolarHBondContact O-N 3.18Å; I346-E355 HydrophobicContact CG2-CB 4.02Å; I346-E355 HydrophobicContact CG2-CG 4.07Å; I346-L360 HydrophobicContact CB-CD1 4.31Å; I346-L360 HydrophobicContact CD1-CD1 4.08Å; I346-L360 HydrophobicContact CG2-CB 4.03Å; I346-L360 HydrophobicContact CG2-CD1 3.99Å; I346-L360 HydrophobicContact CG2-CD2 4.32Å; I346-L360 HydrophobicContact CG2-CG 4.33Å; I346-R363 VanDerWaalsContact CD1-NH1 3.35Å
347L83.8Confident80.8Confident0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-58.7-39.2176.7-71.4172.3000111.5W323 K327 L329 M332 F334 P343 M344 I350 K351 L360W323-L347 HydrophobicContact CH2-CD1 3.81Å; W323-L347 HydrophobicContact CH2-CG 4.4Å; W323-L347 HydrophobicContact CZ2-CD1 4.36Å; W323-L347 HydrophobicContact CZ3-CD1 4.38Å; K327-L347 HydrophobicContact CB-CD1 4.21Å; K327-L347 HydrophobicContact CB-CD2 4.41Å; K327-L347 HydrophobicContact CD-CD1 3.98Å; K327-L347 HydrophobicContact CG-CD1 3.82Å; L329-L347 HydrophobicContact CD2-CB 4.01Å; L329-L347 HydrophobicContact CD2-CD2 4.17Å; M332-L347 HydrophobicContact CE-CD1 4.41Å; F334-L347 HydrophobicContact CE1-CB 4.16Å; F334-L347 HydrophobicContact CZ-CB 3.96Å; P343-L347 WeakPolarHBondContact O-CG 3.48Å; P343-L347 PolarHBondContact O-N 3.01Å; M344-L347 HydrophobicContact CE-CD1 3.57Å; M344-L347 PolarHBondContact O-N 3.34Å; M344-L347 HydrophobicContact SD-CD1 3.96Å; L347-I350 HydrophobicContact CD2-CD1 4.39Å; L347-I350 PolarHBondContact O-N 3.38Å; L347-K351 PolarHBondContact O-N 3.07Å; L347-L360 HydrophobicContact CD2-CD2 3.68Å; L347-L360 HydrophobicContact CG-CD2 4.28Å
348R82.7Confident81.7Confident86 Ų8632.4 Ų32.433%0.32517%0.17SC..Hα-helixtrans-59-46.7169.9-176.5-174.9-178-80.4-0.4110.9F334 L338 M344 G345 I346 I350 K351 F352F334-R348 HydrophobicContact CB-CB 4.21Å; F334-R348 HydrophobicContact CB-CG 3.8Å; F334-R348 HydrophobicContact CD1-CB 3.7Å; F334-R348 HydrophobicContact CD1-CG 4.25Å; F334-R348 HydrophobicContact CD2-CB 4.04Å; F334-R348 HydrophobicContact CD2-CG 4.07Å; F334-R348 HydrophobicContact CE1-CB 3.96Å; F334-R348 HydrophobicContact CE2-CB 4.29Å; F334-R348 HydrophobicContact CG-CB 3.72Å; F334-R348 HydrophobicContact CG-CG 3.79Å; F334-R348 HydrophobicContact CZ-CB 4.25Å; L338-R348 HydrophobicContact CD2-CB 4.01Å; M344-R348 PolarHBondContact O-N 2.9Å; G345-R348 WeakPolarHBondContact O-CB 3.32Å; G345-R348 PolarHBondContact O-N 2.85Å; I346-R348 PolarHBondContact O-N 3.4Å; R348-I350 VanDerWaalsContact C-N 3.3Å; R348-I350 PolarHBondContact O-N 2.94Å; R348-K351 WeakPolarHBondContact O-CB 3.31Å; R348-K351 PolarHBondContact O-N 2.9Å; R348-F352 HydrophobicContact CG-CD2 3.73Å; R348-F352 HydrophobicContact CG-CE2 3.67Å; R348-F352 WeakPolarHBondContact O-CD2 3.38Å; R348-F352 PolarHBondContact O-N 3.41Å
349G83.4Confident82.7Confident5 Ų531.3 Ų31.35%0.05216%0.164CC..Hα-helixtrans-57.4-39.3174.600000113.3G345 I346 F352 G353 T354 E355G345-G349 PolarHBondContact O-N 3.42Å; I346-G349 CarbonylContact O-C 3.55Å; I346-G349 VanDerWaalsContact O-CA 3.31Å; I346-G349 WeakPolarHBondContact O-CA 3.45Å; I346-G349 PolarHBondContact O-N 3.26Å; G349-F352 PolarHBondContact O-N 2.95Å; G349-G353 CarbonylContact O-C 3.54Å; G349-G353 PolarHBondContact O-N 3.41Å; G349-T354 VanDerWaalsContact CA-OG1 3.24Å; G349-T354 WeakPolarHBondContact CA-OG1 3.43Å; G349-T354 PolarHBondContact O-N 3.49Å; G349-T354 PolarHBondContact O-OG1 3.31Å; G349-E355 PolarHBondContact O-N 2.92Å; G349-E355 VanDerWaalsContact O-N 3.13Å
350I84.8Confident83.6Confident20 Ų2028.3 Ų28.310%0.10315%0.148CC..Hα-helixtrans-66.3-45176.3-63.2171.1000109.9L329 I346 L347 R348 F352 G353 E355 Y357 L360L329-I350 HydrophobicContact CD1-CB 3.85Å; L329-I350 HydrophobicContact CD1-CG2 3.47Å; L329-I350 VanDerWaalsContact CD1-CG2 3.47Å; I346-I350 HydrophobicContact CG2-CD1 4.3Å; I346-I350 HydrophobicContact CG2-CG1 4.42Å; I346-I350 WeakPolarHBondContact O-CG1 3.46Å; I346-I350 PolarHBondContact O-N 3.18Å; L347-I350 HydrophobicContact CD2-CD1 4.39Å; L347-I350 PolarHBondContact O-N 3.38Å; R348-I350 VanDerWaalsContact C-N 3.3Å; R348-I350 PolarHBondContact O-N 2.94Å; I350-F352 VanDerWaalsContact C-N 3.28Å; I350-F352 PolarHBondContact O-N 3.31Å; I350-G353 PolarHBondContact O-N 2.93Å; I350-E355 HydrophobicContact CG1-CB 3.75Å; I350-Y357 HydrophobicContact CD1-CD1 3.91Å; I350-Y357 HydrophobicContact CD1-CE1 4.29Å; I350-Y357 HydrophobicContact CD1-CG 4.18Å; I350-Y357 HydrophobicContact CG2-CD2 3.83Å; I350-Y357 HydrophobicContact CG2-CE1 4.39Å; I350-Y357 HydrophobicContact CG2-CE2 3.65Å; I350-Y357 HydrophobicContact CG2-CG 4.3Å; I350-L360 HydrophobicContact CD1-CB 4.19Å; I350-L360 HydrophobicContact CD1-CD2 3.83Å
351K83.2Confident84.8Confident79 Ų7925.2 Ų25.234%0.34313%0.128SC..Hα-helixtrans-57.7-40.4177.8-179.7170.9-178.1146.50112.3L329 M332 F334 L347 R348L329-K351 HydrophobicContact CB-CB 4.46Å; L329-K351 HydrophobicContact CD1-CB 4.44Å; L329-K351 WeakPolarHBondContact O-CD 3.5Å; L329-K351 WeakPolarHBondContact O-CE 3.34Å; L329-K351 PolarHBondContact O-NZ 3Å; M332-K351 PolarHBondContact O-NZ 3.27Å; F334-K351 HydrophobicContact CD2-CD 3.85Å; F334-K351 HydrophobicContact CE2-CB 4.1Å; F334-K351 HydrophobicContact CE2-CD 3.62Å; F334-K351 HydrophobicContact CE2-CG 4.49Å; L347-K351 PolarHBondContact O-N 3.07Å; R348-K351 WeakPolarHBondContact O-CB 3.31Å; R348-K351 PolarHBondContact O-N 2.9Å
352F81.5Confident85.9Confident107 Ų10726 Ų2647%0.46913%0.131SC..Hα-helixtrans-94.92.7-179.1-62.8-63.6000114.5R348 G349 I350R348-F352 HydrophobicContact CG-CD2 3.73Å; R348-F352 HydrophobicContact CG-CE2 3.67Å; R348-F352 WeakPolarHBondContact O-CD2 3.38Å; R348-F352 PolarHBondContact O-N 3.41Å; G349-F352 PolarHBondContact O-N 2.95Å; I350-F352 VanDerWaalsContact C-N 3.28Å; I350-F352 PolarHBondContact O-N 3.31Å
353G79.9Confident86.6Confident25 Ų2525.4 Ų25.426%0.25813%0.127SC..THydrogen-bonded Turntrans8020171.400000116R219 G349 I350R219-G353 VanDerWaalsContact CD-O 3.3Å; R219-G353 WeakPolarHBondContact CD-O 3.35Å; G349-G353 CarbonylContact O-C 3.54Å; G349-G353 PolarHBondContact O-N 3.41Å; I350-G353 PolarHBondContact O-N 2.93Å
354T80.9Confident87.4Confident41 Ų4125.4 Ų25.425%0.25213%0.127SC..SBendtrans-94.2-18.8172.558.70000113.1R219 G349R219-T354 WeakPolarHBondContact CG-O 3.47Å; G349-T354 VanDerWaalsContact CA-OG1 3.24Å; G349-T354 WeakPolarHBondContact CA-OG1 3.43Å; G349-T354 PolarHBondContact O-N 3.49Å; G349-T354 PolarHBondContact O-OG1 3.31Å
355E84.9Confident88.2Confident15 Ų1524.5 Ų24.57%0.0712%0.123CC..SBendtrans-124.3173177.4-64.2-64.5162.300110.7Y148 T222 I346 G349 I350Y148-E355 PolarHBondContact OH-OE1 3.49Å; T222-E355 VanDerWaalsContact CG2-OE1 3.28Å; T222-E355 WeakPolarHBondContact CG2-OE1 3.39Å; I346-E355 HydrophobicContact CG2-CB 4.02Å; I346-E355 HydrophobicContact CG2-CG 4.07Å; G349-E355 PolarHBondContact O-N 2.92Å; G349-E355 VanDerWaalsContact O-N 3.13Å; I350-E355 HydrophobicContact CG1-CB 3.75Å
356S89.6Confident89Confident24 Ų2424.4 Ų24.417%0.16812%0.121CC..  trans-136.8152.3177.576.30000113.1H358 V359 L360S356-H358 VanDerWaalsContact C-N 3.27Å; S356-H358 WeakPolarHBondContact CB-CE1 3.28Å; S356-H358 PolarHBondContact O-N 2.72Å; S356-H358 PolarHBondContact OG-CD2 3.38Å; S356-H358 PolarHBondContact OG-CE1 3.41Å; S356-H358 PolarHBondContact OG-ND1 3.27Å; S356-H358 PolarHBondContact OG-NE2 2.69Å; S356-V359 PolarHBondContact O-N 2.99Å; S356-V359 WeakPolarHBondContact OG-CB 3.39Å; S356-V359 WeakPolarHBondContact OG-CG2 3.35Å; S356-V359 PolarHBondContact OG-N 3.47Å; S356-L360 PolarHBondContact O-N 3.24Å; S356-L360 VanDerWaalsContact O-N 3.09Å
357Y92.7Very high89.6Confident28 Ų2824.7 Ų24.711%0.1112%0.122CC..Hα-helixtrans-58.1-37.3176.6-76.8-71.1000113.4I324 L329 I350 L360 F361 C413 N414I324-Y357 HydrophobicContact CG2-CD1 3.46Å; I324-Y357 VanDerWaalsContact CG2-CD1 3.46Å; I324-Y357 HydrophobicContact CG2-CE1 3.7Å; L329-Y357 HydrophobicContact CD1-CE1 4.3Å; L329-Y357 HydrophobicContact CD1-CE2 4.29Å; L329-Y357 WeakPolarHBondContact CD1-OH 3.45Å; L329-Y357 WeakPolarHBondContact CG-OH 3.28Å; I350-Y357 HydrophobicContact CD1-CD1 3.91Å; I350-Y357 HydrophobicContact CD1-CE1 4.29Å; I350-Y357 HydrophobicContact CD1-CG 4.18Å; I350-Y357 HydrophobicContact CG2-CD2 3.83Å; I350-Y357 HydrophobicContact CG2-CE1 4.39Å; I350-Y357 HydrophobicContact CG2-CE2 3.65Å; I350-Y357 HydrophobicContact CG2-CG 4.3Å; Y357-L360 PolarHBondContact O-N 3.33Å; Y357-F361 WeakPolarHBondContact O-CB 3.45Å; Y357-F361 PolarHBondContact O-N 3.47Å; Y357-C413 HydrophobicContact CD1-CB 4.37Å; Y357-C413 HydrophobicContact CG-CB 4.45Å; Y357-N414 HydrophobicContact CD2-CB 3.62Å; Y357-N414 HydrophobicContact CE2-CB 4.23Å; Y357-N414 WeakPolarHBondContact CE2-OD1 3.4Å; Y357-N414 HydrophobicContact CG-CB 4.23Å
358H94.4Very high90.1Very high42 Ų4225.7 Ų25.719%0.19413%0.13CC..Hα-helixtrans-73.1-28.8-177.855.5-98.3000113.1S356 K362 T398 N400S356-H358 VanDerWaalsContact C-N 3.27Å; S356-H358 WeakPolarHBondContact CB-CE1 3.28Å; S356-H358 PolarHBondContact O-N 2.72Å; S356-H358 PolarHBondContact OG-CD2 3.38Å; S356-H358 PolarHBondContact OG-CE1 3.41Å; S356-H358 PolarHBondContact OG-ND1 3.27Å; S356-H358 PolarHBondContact OG-NE2 2.69Å; H358-K362 WeakPolarHBondContact O-CB 3.29Å; H358-K362 PolarHBondContact O-N 3.46Å; H358-T398 HydrophobicContact CB-CG2 4.41Å; H358-T398 VanDerWaalsContact CD2-CG2 3.48Å; H358-T398 WeakPolarHBondContact CD2-CG2 3.39Å; H358-T398 VanDerWaalsContact CE1-CB 3.48Å; H358-T398 WeakPolarHBondContact CE1-CB 3.44Å; H358-T398 PolarHBondContact ND1-O 2.94Å; H358-N400 WeakPolarHBondContact CA-OD1 3.38Å; H358-N400 VanDerWaalsContact CB-OD1 3.26Å; H358-N400 WeakPolarHBondContact CB-OD1 3.31Å; H358-N400 PolarHBondContact O-ND2 2.84Å; H358-N400 PolarHBondContact O-OD1 2.96Å
359V93.4Very high90.7Very high8 Ų821.7 Ų21.75%0.04812%0.116CC..Hα-helixtrans-71.5-46.6172171.40000109.8A223 V226 S356 F361 K362 R363A223-V359 HydrophobicContact CB-CG2 3.92Å; V226-V359 HydrophobicContact CB-CG1 3.83Å; V226-V359 HydrophobicContact CG1-CG1 3.8Å; V226-V359 HydrophobicContact CG2-CG1 3.47Å; V226-V359 VanDerWaalsContact CG2-CG1 3.47Å; S356-V359 PolarHBondContact O-N 2.99Å; S356-V359 WeakPolarHBondContact OG-CB 3.39Å; S356-V359 WeakPolarHBondContact OG-CG2 3.35Å; S356-V359 PolarHBondContact OG-N 3.47Å; V359-F361 PolarHBondContact O-N 2.94Å; V359-K362 PolarHBondContact O-N 2.95Å; V359-R363 WeakPolarHBondContact O-CB 3.37Å; V359-R363 PolarHBondContact O-N 3.43Å
360L93.5Very high91.3Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-58.8-48.3176.1176.458.7000111.9F299 W323 I324 I346 L347 I350 S356 Y357 K362 R363 L364F299-L360 HydrophobicContact CE1-CD1 4.42Å; W323-L360 HydrophobicContact CZ3-CD2 4.28Å; I324-L360 HydrophobicContact CD1-CD2 4.27Å; I324-L360 HydrophobicContact CD1-CG 4.08Å; I324-L360 HydrophobicContact CG1-CD2 4.17Å; I324-L360 HydrophobicContact CG1-CG 4.41Å; I346-L360 HydrophobicContact CB-CD1 4.31Å; I346-L360 HydrophobicContact CD1-CD1 4.08Å; I346-L360 HydrophobicContact CG2-CB 4.03Å; I346-L360 HydrophobicContact CG2-CD1 3.99Å; I346-L360 HydrophobicContact CG2-CD2 4.32Å; I346-L360 HydrophobicContact CG2-CG 4.33Å; L347-L360 HydrophobicContact CD2-CD2 3.68Å; L347-L360 HydrophobicContact CG-CD2 4.28Å; I350-L360 HydrophobicContact CD1-CB 4.19Å; I350-L360 HydrophobicContact CD1-CD2 3.83Å; S356-L360 PolarHBondContact O-N 3.24Å; S356-L360 VanDerWaalsContact O-N 3.09Å; Y357-L360 PolarHBondContact O-N 3.33Å; L360-K362 PolarHBondContact O-N 3.4Å; L360-R363 PolarHBondContact O-N 3.45Å; L360-L364 HydrophobicContact CD1-CD1 3.99Å; L360-L364 HydrophobicContact CD1-CG 4.04Å; L360-L364 HydrophobicContact CG-CD1 4.19Å; L360-L364 WeakPolarHBondContact O-CG 3.41Å; L360-L364 PolarHBondContact O-N 3.01Å
361F96.7Very high91.8Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-60.8-45.5178.9-175.8-100.4000111.8I320 I324 Y357 V359 R363 L364 C365 N400 V402 V411 C413I320-F361 HydrophobicContact CB-CE2 4.27Å; I320-F361 HydrophobicContact CG2-CD2 3.62Å; I320-F361 HydrophobicContact CG2-CE2 3.72Å; I324-F361 HydrophobicContact CD1-CB 3.85Å; I324-F361 HydrophobicContact CD1-CD2 3.89Å; I324-F361 HydrophobicContact CD1-CG 4.39Å; Y357-F361 WeakPolarHBondContact O-CB 3.45Å; Y357-F361 PolarHBondContact O-N 3.47Å; V359-F361 PolarHBondContact O-N 2.94Å; F361-R363 PolarHBondContact O-N 2.95Å; F361-L364 PolarHBondContact O-N 3.49Å; F361-C365 WeakPolarHBondContact CE1-SG 3.45Å; F361-C365 VanDerWaalsContact CZ-SG 3.59Å; F361-C365 WeakPolarHBondContact O-CB 2.81Å; F361-C365 PolarHBondContact O-N 3.28Å; F361-C365 PolarHBondContact O-SG 3.38Å; F361-C365 VanDerWaalsContact O-SG 3.33Å; F361-N400 HydrophobicContact CD1-CB 3.76Å; F361-N400 HydrophobicContact CE1-CB 4.12Å; F361-V402 HydrophobicContact CE1-CB 4.29Å; F361-V402 HydrophobicContact CE1-CG1 4.34Å; F361-V402 HydrophobicContact CZ-CG1 4.39Å; F361-V411 HydrophobicContact CD1-CG1 4.41Å; F361-V411 HydrophobicContact CD2-CG1 4.36Å; F361-V411 HydrophobicContact CE1-CB 3.93Å; F361-V411 HydrophobicContact CE1-CG1 3.96Å; F361-V411 HydrophobicContact CE1-CG2 4.14Å; F361-V411 HydrophobicContact CE2-CG1 3.92Å; F361-V411 HydrophobicContact CZ-CB 4Å; F361-V411 HydrophobicContact CZ-CG1 3.7Å; F361-V411 HydrophobicContact CZ-CG2 3.93Å; F361-C413 WeakPolarHBondContact CD2-SG 3.41Å
362K96.9Very high92.5Very high21 Ų2117.6 Ų17.69%0.09110%0.097CC..Hα-helixtrans-61-42.9175.5174.3171.1165.874.70112.6D227 H358 V359 L360 C365 S366 C372 V374D227-K362 WeakPolarHBondContact OD1-CE 3.31Å; D227-K362 IonicContact OD1-NZ 3.6Å; D227-K362 PolarHBondContact OD1-NZ 2.98Å; H358-K362 WeakPolarHBondContact O-CB 3.29Å; H358-K362 PolarHBondContact O-N 3.46Å; V359-K362 PolarHBondContact O-N 2.95Å; L360-K362 PolarHBondContact O-N 3.4Å; K362-C365 PolarHBondContact O-N 3Å; K362-S366 PolarHBondContact O-N 3.01Å; K362-C372 HydrophobicContact CG-CB 4.44Å; K362-C372 PolarHBondContact NZ-O 2.8Å; K362-V374 HydrophobicContact CB-CG2 4.42Å; K362-V374 HydrophobicContact CD-CG2 3.48Å; K362-V374 VanDerWaalsContact CD-CG2 3.48Å
363R94.9Very high93.3Very high5 Ų513.9 Ų13.92%0.0198%0.083CC..Hα-helixtrans-59.1-49.4175.4-175.3177.9-77.2-160.1-5.6110.4E144 V226 I346 V359 L360 F361 C365 S366 Y367E144-R363 IonicContact OE1-CZ 3.12Å; E144-R363 IonicContact OE1-NH1 3.32Å; E144-R363 PolarHBondContact OE1-NH1 3.23Å; E144-R363 IonicContact OE1-NH2 2.63Å; E144-R363 PolarHBondContact OE1-NH2 3.3Å; E144-R363 IonicContact OE2-CZ 2.96Å; E144-R363 IonicContact OE2-NH1 3.54Å; E144-R363 PolarHBondContact OE2-NH1 2.99Å; E144-R363 IonicContact OE2-NH2 3.91Å; E144-R363 PolarHBondContact OE2-NH2 3.24Å; E144-R363 VanDerWaalsContact OE2-NH2 3.16Å; V226-R363 HydrophobicContact CG1-CB 3.91Å; V226-R363 HydrophobicContact CG1-CG 4.43Å; I346-R363 VanDerWaalsContact CD1-NH1 3.35Å; V359-R363 WeakPolarHBondContact O-CB 3.37Å; V359-R363 PolarHBondContact O-N 3.43Å; L360-R363 PolarHBondContact O-N 3.45Å; F361-R363 PolarHBondContact O-N 2.95Å; R363-C365 PolarHBondContact O-N 3.43Å; R363-S366 PolarHBondContact O-N 2.91Å; R363-S366 PolarHBondContact O-OG 3.33Å; R363-Y367 HydrophobicContact CG-CD2 4.22Å; R363-Y367 HydrophobicContact CG-CE2 4.05Å; R363-Y367 VanDerWaalsContact O-CD2 3.27Å; R363-Y367 WeakPolarHBondContact O-CD2 3.41Å; R363-Y367 PolarHBondContact O-N 2.98Å; R363-Y367 VanDerWaalsContact O-N 3.12Å
364L96.4Very high94.1Very high0 Ų015.2 Ų15.20%09%0.086CC..Hα-helixtrans-62.8-40.4178.4-68.9-178.8000112.6F299 L302 I303 I320 W323 I324 L360 F361 S366 Y367 A368F299-L364 HydrophobicContact CD1-CD2 3.79Å; L302-L364 HydrophobicContact CD2-CD1 4.41Å; L302-L364 HydrophobicContact CD2-CD2 3.71Å; I303-L364 HydrophobicContact CD1-CB 3.96Å; I303-L364 HydrophobicContact CD1-CD2 3.89Å; I303-L364 HydrophobicContact CD1-CG 4.44Å; I303-L364 WeakPolarHBondContact CD1-O 3.43Å; I303-L364 HydrophobicContact CG1-CD2 4.22Å; I320-L364 HydrophobicContact CD1-CB 4.27Å; I320-L364 HydrophobicContact CG1-CB 4.34Å; I320-L364 HydrophobicContact CG2-CB 3.53Å; I320-L364 HydrophobicContact CG2-CD1 3.8Å; I320-L364 HydrophobicContact CG2-CG 4.32Å; W323-L364 HydrophobicContact CE3-CD1 3.88Å; W323-L364 HydrophobicContact CZ3-CD1 3.88Å; I324-L364 HydrophobicContact CD1-CD1 4.12Å; I324-L364 HydrophobicContact CG1-CD1 4.12Å; L360-L364 HydrophobicContact CD1-CD1 3.99Å; L360-L364 HydrophobicContact CD1-CG 4.04Å; L360-L364 HydrophobicContact CG-CD1 4.19Å; L360-L364 WeakPolarHBondContact O-CG 3.41Å; L360-L364 PolarHBondContact O-N 3.01Å; F361-L364 PolarHBondContact O-N 3.49Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-S366 PolarHBondContact O-N 3.4Å; L364-Y367 PolarHBondContact O-N 2.93Å; L364-A368 PolarHBondContact O-N 3.37Å
365C97.5Very high95Very high0 Ų013.4 Ų13.40%08%0.075CC..Hα-helixtrans-60.3-41.2173.7-74.40000112.5F361 K362 R363 A368 G369 L370 C372F361-C365 WeakPolarHBondContact CE1-SG 3.45Å; F361-C365 VanDerWaalsContact CZ-SG 3.59Å; F361-C365 WeakPolarHBondContact O-CB 2.81Å; F361-C365 PolarHBondContact O-N 3.28Å; F361-C365 PolarHBondContact O-SG 3.38Å; F361-C365 VanDerWaalsContact O-SG 3.33Å; K362-C365 PolarHBondContact O-N 3Å; R363-C365 PolarHBondContact O-N 3.43Å; C365-A368 CarbonylContact O-C 3.55Å; C365-A368 WeakPolarHBondContact O-CA 3.26Å; C365-A368 PolarHBondContact O-N 3.14Å; C365-A368 VanDerWaalsContact O-N 3.08Å; C365-G369 PolarHBondContact O-N 3.14Å; C365-L370 HydrophobicContact CB-CB 4.11Å; C365-L370 PolarHBondContact O-N 3.22Å; C365-C372 HydrophobicContact CB-CB 3.51Å
366S96Very high95.5Very high4 Ų419.2 Ų19.23%0.02810%0.1CC..Hα-helixtrans-67.2-37.6179.271.50000112.2S230 M233 F237 K362 R363 L364 A368 G369S230-S366 PolarHBondContact OG-OG 3.28Å; M233-S366 VanDerWaalsContact CG-O 3.23Å; M233-S366 WeakPolarHBondContact CG-O 3.45Å; F237-S366 WeakPolarHBondContact CE2-O 3.24Å; K362-S366 PolarHBondContact O-N 3.01Å; R363-S366 PolarHBondContact O-N 2.91Å; R363-S366 PolarHBondContact O-OG 3.33Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-S366 PolarHBondContact O-N 3.4Å; S366-A368 PolarHBondContact O-N 3.36Å; S366-G369 PolarHBondContact O-N 3.43Å; S366-G369 VanDerWaalsContact O-N 3.13Å
367Y94.7Very high95.9Very high8 Ų818.3 Ų18.33%0.0319%0.094CC..Hα-helixtrans-67.1-22.1171.4-83.9-106.6000113.3Q133 E137 M233 F237 F299 R363 L364Q133-Y367 HydrophobicContact CG-CD1 4.44Å; Q133-Y367 PolarHBondContact NE2-O 2.93Å; E137-Y367 HydrophobicContact CB-CE1 3.96Å; E137-Y367 WeakPolarHBondContact CB-OH 3.23Å; E137-Y367 HydrophobicContact CG-CE1 4.07Å; E137-Y367 VanDerWaalsContact CG-OH 3.25Å; E137-Y367 WeakPolarHBondContact CG-OH 3.19Å; M233-Y367 HydrophobicContact CE-CD1 4.02Å; M233-Y367 HydrophobicContact CE-CD2 3.96Å; M233-Y367 HydrophobicContact CE-CE1 3.56Å; M233-Y367 HydrophobicContact CE-CE2 3.54Å; M233-Y367 HydrophobicContact CE-CG 4.2Å; M233-Y367 HydrophobicContact CG-CD2 4.37Å; M233-Y367 HydrophobicContact SD-CD1 4.4Å; M233-Y367 HydrophobicContact SD-CE1 4.46Å; M233-Y367 HydrophobicContact SD-CG 4.49Å; F237-Y367 WeakPolarHBondContact CE2-O 3.39Å; F237-Y367 WeakPolarHBondContact CZ-O 3.09Å; F299-Y367 HydrophobicContact CB-CD1 3.57Å; F299-Y367 HydrophobicContact CB-CD2 4.17Å; F299-Y367 HydrophobicContact CB-CE1 3.45Å; F299-Y367 VanDerWaalsContact CB-CE1 3.45Å; F299-Y367 HydrophobicContact CB-CE2 4.04Å; F299-Y367 HydrophobicContact CB-CG 3.93Å; F299-Y367 HydrophobicContact CD2-CE2 4.47Å; F299-Y367 HydrophobicContact CG-CE1 4.45Å; F299-Y367 HydrophobicContact CG-CE2 4.38Å; R363-Y367 HydrophobicContact CG-CD2 4.22Å; R363-Y367 HydrophobicContact CG-CE2 4.05Å; R363-Y367 VanDerWaalsContact O-CD2 3.27Å; R363-Y367 WeakPolarHBondContact O-CD2 3.41Å; R363-Y367 PolarHBondContact O-N 2.98Å; R363-Y367 VanDerWaalsContact O-N 3.12Å; L364-Y367 PolarHBondContact O-N 2.93Å
368A94.6Very high96.2Very high21 Ų2118.9 Ų18.917%0.17410%0.097CC..THydrogen-bonded Turntrans-91.3-1.8173.300000113.8I303 V316 I320 L364 C365 S366 L370I303-A368 HydrophobicContact CG2-CB 3.9Å; V316-A368 HydrophobicContact CG1-CB 3.63Å; I320-A368 HydrophobicContact CD1-CB 3.87Å; L364-A368 PolarHBondContact O-N 3.37Å; C365-A368 CarbonylContact O-C 3.55Å; C365-A368 WeakPolarHBondContact O-CA 3.26Å; C365-A368 PolarHBondContact O-N 3.14Å; C365-A368 VanDerWaalsContact O-N 3.08Å; S366-A368 PolarHBondContact O-N 3.36Å; A368-L370 HydrophobicContact CB-CG 4.37Å
369G93.8Very high96.3Very high2 Ų216.9 Ų16.92%0.0219%0.087CC..THydrogen-bonded Turntrans77.518.3-179.500000114.6F237 R241 C365 S366F237-G369 VanDerWaalsContact CD2-CA 3.48Å; F237-G369 VanDerWaalsContact CE2-CA 3.5Å; F237-G369 VanDerWaalsContact CE2-N 3.31Å; R241-G369 PolarHBondContact NH2-O 2.89Å; C365-G369 PolarHBondContact O-N 3.14Å; S366-G369 PolarHBondContact O-N 3.43Å; S366-G369 VanDerWaalsContact O-N 3.13Å
370L96.4Very high96.4Very high2 Ų216.6 Ų16.61%0.019%0.085CC..  trans-97.4133.1179.7-61-177.5000111.7Y257 D313 V316 A317 C365 A368 C372 V402 L404Y257-L370 HydrophobicContact CE2-CD2 3.93Å; Y257-L370 WeakPolarHBondContact OH-CA 3.24Å; D313-L370 HydrophobicContact CB-CD2 3.74Å; V316-L370 HydrophobicContact CB-CD1 4.28Å; V316-L370 HydrophobicContact CG1-CD1 3.68Å; V316-L370 HydrophobicContact CG1-CG 4.25Å; A317-L370 HydrophobicContact CB-CD1 4.01Å; C365-L370 HydrophobicContact CB-CB 4.11Å; C365-L370 PolarHBondContact O-N 3.22Å; A368-L370 HydrophobicContact CB-CG 4.37Å; L370-C372 PolarHBondContact O-N 3.11Å; L370-V402 HydrophobicContact CB-CG2 4.16Å; L370-V402 HydrophobicContact CD1-CG2 4.29Å; L370-L404 HydrophobicContact CD1-CD2 4.15Å
371H96.5Very high96.2Very high6 Ų618 Ų183%0.02810%0.095CC..  trans-68.5117.5171.2-65.8-50.9000109.6Y257 P258 P261 V402 Y403 W408Y257-H371 HydrophobicContact CE1-CB 4.49Å; Y257-H371 AromaticContact CE1-CD2 3.28Å; Y257-H371 WeakPolarHBondContact CE1-CD2 3.28Å; Y257-H371 AromaticContact CE1-CG 3.98Å; Y257-H371 AromaticContact CE1-NE2 3.73Å; Y257-H371 PolarHBondContact OH-N 3.13Å; P258-H371 PolarHBondContact O-NE2 3.43Å; P261-H371 HydrophobicContact CB-CB 4.48Å; H371-V402 WeakPolarHBondContact O-CA 3.4Å; H371-Y403 PolarHBondContact O-N 2.91Å; H371-W408 HydrophobicContact CB-CH2 3.91Å; H371-W408 HydrophobicContact CB-CZ3 4.41Å
372C98.2Very high95.7Very high10 Ų1021.6 Ų21.67%0.06813%0.125CC..EExtended strand (participates in β ladder)trans-135.3129.1179.6-177.90000110.3K362 C365 L370 A401 V402K362-C372 HydrophobicContact CG-CB 4.44Å; K362-C372 PolarHBondContact NZ-O 2.8Å; C365-C372 HydrophobicContact CB-CB 3.51Å; L370-C372 PolarHBondContact O-N 3.11Å; C372-A401 WeakPolarHBondContact CA-O 3.42Å; C372-V402 HydrophobicContact CB-CG2 4.5Å
373V97.5Very high95.4Very high30 Ų3023.6 Ų23.618%0.18215%0.152CC..EExtended strand (participates in β ladder)trans-109.9155.4178.3-630000110.8I375 N400 A401 W408 W467V373-I375 HydrophobicContact CG2-CD1 4.31Å; V373-I375 HydrophobicContact CG2-CG1 4.09Å; V373-N400 VanDerWaalsContact O-CA 3.25Å; V373-N400 WeakPolarHBondContact O-CA 3.1Å; V373-N400 PolarHBondContact O-ND2 2.99Å; V373-N400 VanDerWaalsContact O-ND2 3.15Å; V373-A401 HydrophobicContact CG2-CB 3.77Å; V373-A401 WeakPolarHBondContact CG2-O 3.49Å; V373-A401 PolarHBondContact N-O 2.85Å; V373-A401 PolarHBondContact O-N 3.14Å; V373-W408 HydrophobicContact CG1-CH2 3.81Å; V373-W408 HydrophobicContact CG1-CZ3 4.09Å; V373-W408 HydrophobicContact CG2-CE3 4.47Å; V373-W408 HydrophobicContact CG2-CZ3 4.12Å; V373-W467 HydrophobicContact CB-CH2 4.07Å; V373-W467 HydrophobicContact CB-CZ2 4.13Å; V373-W467 HydrophobicContact CG1-CH2 3.84Å; V373-W467 HydrophobicContact CG1-CZ2 3.93Å; V373-W467 HydrophobicContact CG2-CE3 4.14Å; V373-W467 HydrophobicContact CG2-CH2 3.31Å; V373-W467 HydrophobicContact CG2-CZ2 3.71Å; V373-W467 HydrophobicContact CG2-CZ3 3.54Å
374V97.6Very high95.4Very high52 Ų5223.9 Ų23.932%0.31515%0.153SC..EExtended strand (participates in β ladder)trans-102.6122.9171.1-178.90000107.7K362 T398K362-V374 HydrophobicContact CB-CG2 4.42Å; K362-V374 HydrophobicContact CD-CG2 3.48Å; K362-V374 VanDerWaalsContact CD-CG2 3.48Å; V374-T398 HydrophobicContact CG1-CG2 3.14Å
375I98.3Very high95.3Very high4 Ų426.1 Ų26.12%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-108.6124.7-179.7-59.8167.8000107.9V373 T398 W399 A401 F410 P462 W467V373-I375 HydrophobicContact CG2-CD1 4.31Å; V373-I375 HydrophobicContact CG2-CG1 4.09Å; I375-T398 VanDerWaalsContact O-CA 3.26Å; I375-T398 WeakPolarHBondContact O-CA 3.41Å; I375-T398 WeakPolarHBondContact O-CG2 3.45Å; I375-W399 HydrophobicContact CB-CD2 4.36Å; I375-W399 HydrophobicContact CB-CG 4.44Å; I375-W399 HydrophobicContact CB-CZ2 4.41Å; I375-W399 HydrophobicContact CG2-CD2 4.38Å; I375-W399 HydrophobicContact CG2-CH2 4.4Å; I375-W399 HydrophobicContact CG2-CZ2 3.58Å; I375-W399 PolarHBondContact N-O 3.11Å; I375-W399 PolarHBondContact O-N 3.01Å; I375-A401 HydrophobicContact CD1-CB 3.6Å; I375-F410 HydrophobicContact CD1-CD1 4.18Å; I375-F410 HydrophobicContact CD1-CE1 3.81Å; I375-P462 HydrophobicContact CG2-CB 3.82Å; I375-P462 HydrophobicContact CG2-CG 4.38Å; I375-W467 HydrophobicContact CD1-CB 4.04Å; I375-W467 HydrophobicContact CD1-CD2 3.85Å; I375-W467 HydrophobicContact CD1-CE3 3.58Å; I375-W467 HydrophobicContact CD1-CG 4.07Å; I375-W467 HydrophobicContact CD1-CZ3 4.37Å; I375-W467 HydrophobicContact CG1-CB 4.26Å; I375-W467 HydrophobicContact CG1-CD2 3.96Å; I375-W467 HydrophobicContact CG1-CE3 4.14Å; I375-W467 HydrophobicContact CG1-CG 4.01Å; I375-W467 HydrophobicContact CG2-CB 4.05Å; I375-W467 HydrophobicContact CG2-CG 4.47Å
376K96.9Very high95.3Very high137 Ų13726.1 Ų26.160%0.59616%0.163SC*.EExtended strand (participates in β ladder)trans-98.9144.7173.8-61.7178.4-176.9177.10109T398 S463K376-T398 HydrophobicContact CG-CG2 4.23Å; K376-S463 WeakPolarHBondContact O-CB 3.38Å; K376-S463 PolarHBondContact O-N 3.23Å; K376-S463 PolarHBondContact O-OG 2.71Å
377G97.5Very high95.3Very high4 Ų426.9 Ų26.94%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-179.5-157.1179.600000113R396 N397 F461 S463G377-R396 CarbonylContact O-C 3.57Å; G377-R396 WeakPolarHBondContact O-CA 3.34Å; G377-N397 PolarHBondContact N-O 2.98Å; G377-N397 PolarHBondContact O-N 2.75Å; G377-N397 VanDerWaalsContact O-O 3.11Å; G377-F461 CarbonylContact C-O 3.55Å; G377-F461 WeakPolarHBondContact CA-O 3.26Å; G377-S463 WeakPolarHBondContact CA-OG 3.2Å
378Y97.8Very high95.3Very high41 Ų4129 Ų2916%0.16118%0.183CC..EExtended strand (participates in β ladder)trans-105.3155.3172.8-64.7-61.2000110.7F390 F395 R396 F460 F461 L476Y378-F390 HydrophobicContact CD1-CB 4.23Å; Y378-F390 AromaticContact CD1-CD1 3.64Å; Y378-F390 HydrophobicContact CD1-CD1 3.64Å; Y378-F390 HydrophobicContact CD1-CE1 4.47Å; Y378-F390 HydrophobicContact CD1-CG 4.3Å; Y378-F390 HydrophobicContact CD2-CB 3.91Å; Y378-F390 HydrophobicContact CD2-CD1 4.24Å; Y378-F390 HydrophobicContact CD2-CG 4.2Å; Y378-F390 HydrophobicContact CE1-CB 4.31Å; Y378-F390 HydrophobicContact CE1-CD1 4.42Å; Y378-F390 HydrophobicContact CE2-CB 3.98Å; Y378-F390 HydrophobicContact CG-CB 4.04Å; Y378-F390 AromaticContact CG-CD1 3.55Å; Y378-F390 HydrophobicContact CG-CD1 3.55Å; Y378-F390 HydrophobicContact CG-CE1 4.25Å; Y378-F390 AromaticContact CG-CG 3.97Å; Y378-F390 HydrophobicContact CG-CG 3.97Å; Y378-F395 WeakPolarHBondContact CA-O 3.01Å; Y378-R396 HydrophobicContact CD1-CG 4.16Å; Y378-R396 HydrophobicContact CE1-CG 3.82Å; Y378-F460 WeakPolarHBondContact O-CA 3.37Å; Y378-F461 HydrophobicContact CD2-CD1 4.29Å; Y378-F461 PolarHBondContact N-O 3.31Å; Y378-F461 PolarHBondContact O-N 3.28Å; Y378-L476 HydrophobicContact CD2-CD1 4.14Å
379S97Very high95.4Very high0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-140.9149.7169.3670000111.7S381 F395 N397 E459S379-S381 PolarHBondContact O-N 2.97Å; S379-F395 PolarHBondContact N-O 2.92Å; S379-F395 WeakPolarHBondContact O-CB 3.48Å; S379-N397 VanDerWaalsContact OG-CB 3.27Å; S379-N397 WeakPolarHBondContact OG-CB 3.5Å; S379-N397 PolarHBondContact OG-ND2 3.48Å; S379-E459 CarbonylContact C-O 3.44Å; S379-E459 WeakPolarHBondContact CA-O 3.42Å; S379-E459 WeakPolarHBondContact CB-O 3.47Å
380K95.6Very high95.4Very high2 Ų232.3 Ų32.31%0.00919%0.193CC..  trans-75.759.6171.9-63-176.8-174.9164.40111.2Y384 F390 Y458 E459 F479 L482 F484K380-Y384 HydrophobicContact CB-CD1 3.63Å; K380-Y384 HydrophobicContact CB-CE1 3.99Å; K380-Y384 HydrophobicContact CB-CG 3.92Å; K380-Y384 HydrophobicContact CD-CD1 4.07Å; K380-Y384 HydrophobicContact CD-CE1 3.51Å; K380-Y384 HydrophobicContact CG-CD1 3.75Å; K380-Y384 HydrophobicContact CG-CD2 4.29Å; K380-Y384 HydrophobicContact CG-CE1 3.58Å; K380-Y384 HydrophobicContact CG-CE2 4.15Å; K380-Y384 HydrophobicContact CG-CG 4.1Å; K380-F390 HydrophobicContact CG-CZ 4.14Å; K380-Y458 VanDerWaalsContact CD-O 3.27Å; K380-Y458 WeakPolarHBondContact CD-O 3.39Å; K380-Y458 WeakPolarHBondContact CE-O 3.42Å; K380-Y458 PolarHBondContact NZ-O 3.15Å; K380-E459 PolarHBondContact N-O 3.25Å; K380-F479 HydrophobicContact CD-CZ 4.38Å; K380-F479 WeakPolarHBondContact CE-O 3.46Å; K380-F479 HydrophobicContact CG-CE2 4.44Å; K380-F479 HydrophobicContact CG-CZ 3.88Å; K380-F479 PolarHBondContact NZ-O 3.11Å; K380-L482 PolarHBondContact NZ-O 3Å; K380-F484 HydrophobicContact CB-CD2 4.03Å; K380-F484 HydrophobicContact CB-CE2 3.89Å; K380-F484 HydrophobicContact CD-CD2 4.16Å
381S89.8Confident95Very high28 Ų2838.1 Ų38.120%0.19622%0.224CC..  trans-77.4-172.9-17464.30000113.6S379 G383 Y384S379-S381 PolarHBondContact O-N 2.97Å; S381-G383 PolarHBondContact O-N 2.95Å; S381-Y384 VanDerWaalsContact O-CB 3.24Å; S381-Y384 WeakPolarHBondContact O-CB 3.43Å; S381-Y384 PolarHBondContact O-N 3.35Å
382A86.6Confident94.2Very high76 Ų7642.4 Ų42.463%0.62825%0.251SS*.THydrogen-bonded Turntrans-50.5134.2174.600000111.7Y384A382-Y384 VanDerWaalsContact C-N 3.33Å
383G89.9Confident93.4Very high64 Ų6442.8 Ų42.866%0.6626%0.256SS*.THydrogen-bonded Turntrans87.2-13.2-175.200000115.1S381S381-G383 PolarHBondContact O-N 2.95Å
384Y94.6Very high93Very high10 Ų1049.4 Ų49.44%0.03928%0.278CS..  trans-73.3139.1172.9-179.1-87.1000110.9K380 S381 A382 M388 F390 F395 F484K380-Y384 HydrophobicContact CB-CD1 3.63Å; K380-Y384 HydrophobicContact CB-CE1 3.99Å; K380-Y384 HydrophobicContact CB-CG 3.92Å; K380-Y384 HydrophobicContact CD-CD1 4.07Å; K380-Y384 HydrophobicContact CD-CE1 3.51Å; K380-Y384 HydrophobicContact CG-CD1 3.75Å; K380-Y384 HydrophobicContact CG-CD2 4.29Å; K380-Y384 HydrophobicContact CG-CE1 3.58Å; K380-Y384 HydrophobicContact CG-CE2 4.15Å; K380-Y384 HydrophobicContact CG-CG 4.1Å; S381-Y384 VanDerWaalsContact O-CB 3.24Å; S381-Y384 WeakPolarHBondContact O-CB 3.43Å; S381-Y384 PolarHBondContact O-N 3.35Å; A382-Y384 VanDerWaalsContact C-N 3.33Å; Y384-M388 HydrophobicContact CD2-CB 4.04Å; Y384-M388 HydrophobicContact CE2-CB 3.77Å; Y384-F390 HydrophobicContact CD2-CE1 4.24Å; Y384-F390 HydrophobicContact CD2-CE2 4.34Å; Y384-F390 AromaticContact CD2-CZ 3.71Å; Y384-F390 HydrophobicContact CD2-CZ 3.71Å; Y384-F390 HydrophobicContact CE2-CE1 4.29Å; Y384-F390 AromaticContact CE2-CE2 3.59Å; Y384-F390 HydrophobicContact CE2-CE2 3.59Å; Y384-F390 AromaticContact CE2-CZ 3.4Å; Y384-F390 HydrophobicContact CE2-CZ 3.4Å; Y384-F395 HydrophobicContact CD2-CD2 4.22Å; Y384-F395 HydrophobicContact CD2-CE2 4.03Å; Y384-F395 HydrophobicContact CD2-CZ 4.3Å; Y384-F484 AromaticContact CD1-CD2 3.52Å; Y384-F484 HydrophobicContact CD1-CD2 3.52Å; Y384-F484 AromaticContact CD1-CE2 3.78Å; Y384-F484 HydrophobicContact CD1-CE2 3.78Å; Y384-F484 AromaticContact CE1-CD2 3.81Å; Y384-F484 HydrophobicContact CE1-CD2 3.81Å
385Q95.5Very high92.8Very high47 Ų4748.3 Ų48.322%0.2227%0.269CS..  trans-127.2149.4172-67.3-179.4-1100110.1G387 M388 Y536Q385-G387 PolarHBondContact O-N 2.9Å; Q385-M388 HydrophobicContact CB-CG 4.23Å; Q385-M388 HydrophobicContact CB-SD 4.08Å; Q385-M388 PolarHBondContact N-SD 3.43Å; Q385-M388 WeakPolarHBondContact O-CB 3.4Å; Q385-M388 VanDerWaalsContact O-CG 3.3Å; Q385-M388 WeakPolarHBondContact O-CG 3.47Å; Q385-M388 PolarHBondContact O-N 2.84Å; Q385-M388 VanDerWaalsContact O-N 3.11Å; Q385-Y536 HydrophobicContact CB-CE2 4.09Å; Q385-Y536 WeakPolarHBondContact CB-OH 3.39Å
386P97.5Very high92.6Very high0 Ų056.8 Ų56.80%030%0.3CS..THydrogen-bonded Turntrans-51.2129.1177.5-24.231.4000112.7F484 A503 Y536 L574 K600 K602P386-F484 HydrophobicContact CG-CB 3.82Å; P386-A503 HydrophobicContact CB-CB 4Å; P386-A503 WeakPolarHBondContact CB-O 3.4Å; P386-Y536 WeakPolarHBondContact O-CE2 3.16Å; P386-Y536 PolarHBondContact O-OH 2.75Å; P386-L574 HydrophobicContact CG-CD1 4.07Å; P386-K600 HydrophobicContact CG-CB 3.7Å; P386-K600 WeakPolarHBondContact CG-O 3.35Å; P386-K602 HydrophobicContact CB-CB 4.09Å; P386-K602 WeakPolarHBondContact O-CB 3.37Å
387G94.8Very high92.5Very high21 Ų2151.7 Ų51.722%0.21628%0.28CS..THydrogen-bonded Turntrans90.3-5.3-178.800000115.3Q385Q385-G387 PolarHBondContact O-N 2.9Å
388M95.5Very high92.5Very high52 Ų5252.9 Ų52.926%0.25629%0.286SS..  trans-67142.1168.7-69.7-174.277.100111.5Y384 Q385 F395Y384-M388 HydrophobicContact CD2-CB 4.04Å; Y384-M388 HydrophobicContact CE2-CB 3.77Å; Q385-M388 HydrophobicContact CB-CG 4.23Å; Q385-M388 HydrophobicContact CB-SD 4.08Å; Q385-M388 PolarHBondContact N-SD 3.43Å; Q385-M388 WeakPolarHBondContact O-CB 3.4Å; Q385-M388 VanDerWaalsContact O-CG 3.3Å; Q385-M388 WeakPolarHBondContact O-CG 3.47Å; Q385-M388 PolarHBondContact O-N 2.84Å; Q385-M388 VanDerWaalsContact O-N 3.11Å; M388-F395 HydrophobicContact CE-CE2 3.7Å; M388-F395 HydrophobicContact CE-CZ 3.66Å; M388-F395 HydrophobicContact SD-CE2 4.26Å; M388-F395 HydrophobicContact SD-CZ 3.99Å
389K95.4Very high92.5Very high84 Ų8451 Ų5137%0.36528%0.279SS..  trans-92.5154.5178.6-60.3-60-169.6179.30112.5E480K389-E480 WeakPolarHBondContact CA-OE1 3.4Å; K389-E480 VanDerWaalsContact CD-CD 3.42Å; K389-E480 HydrophobicContact CD-CG 4.43Å; K389-E480 WeakPolarHBondContact CD-OE2 3.22Å; K389-E480 WeakPolarHBondContact CE-OE2 3.31Å; K389-E480 IonicContact NZ-OE2 3.44Å; K389-E480 PolarHBondContact NZ-OE2 2.88Å
390F94.7Very high92.5Very high8 Ų851 Ų514%0.03528%0.279CS..SBendtrans-10357.6176.5-65-88.4000112.2Y378 K380 Y384 F395 L476 F479 E480Y378-F390 HydrophobicContact CD1-CB 4.23Å; Y378-F390 AromaticContact CD1-CD1 3.64Å; Y378-F390 HydrophobicContact CD1-CD1 3.64Å; Y378-F390 HydrophobicContact CD1-CE1 4.47Å; Y378-F390 HydrophobicContact CD1-CG 4.3Å; Y378-F390 HydrophobicContact CD2-CB 3.91Å; Y378-F390 HydrophobicContact CD2-CD1 4.24Å; Y378-F390 HydrophobicContact CD2-CG 4.2Å; Y378-F390 HydrophobicContact CE1-CB 4.31Å; Y378-F390 HydrophobicContact CE1-CD1 4.42Å; Y378-F390 HydrophobicContact CE2-CB 3.98Å; Y378-F390 HydrophobicContact CG-CB 4.04Å; Y378-F390 AromaticContact CG-CD1 3.55Å; Y378-F390 HydrophobicContact CG-CD1 3.55Å; Y378-F390 HydrophobicContact CG-CE1 4.25Å; Y378-F390 AromaticContact CG-CG 3.97Å; Y378-F390 HydrophobicContact CG-CG 3.97Å; K380-F390 HydrophobicContact CG-CZ 4.14Å; Y384-F390 HydrophobicContact CD2-CE1 4.24Å; Y384-F390 HydrophobicContact CD2-CE2 4.34Å; Y384-F390 AromaticContact CD2-CZ 3.71Å; Y384-F390 HydrophobicContact CD2-CZ 3.71Å; Y384-F390 HydrophobicContact CE2-CE1 4.29Å; Y384-F390 AromaticContact CE2-CE2 3.59Å; Y384-F390 HydrophobicContact CE2-CE2 3.59Å; Y384-F390 AromaticContact CE2-CZ 3.4Å; Y384-F390 HydrophobicContact CE2-CZ 3.4Å; F390-F395 HydrophobicContact CD1-CB 3.93Å; F390-F395 HydrophobicContact CD1-CD2 4.04Å; F390-F395 HydrophobicContact CD1-CG 4.45Å; F390-F395 HydrophobicContact CE1-CB 3.58Å; F390-F395 AromaticContact CE1-CD2 3.87Å; F390-F395 HydrophobicContact CE1-CD2 3.87Å; F390-F395 HydrophobicContact CE1-CG 4.03Å; F390-L476 HydrophobicContact CB-CD1 4.21Å; F390-L476 HydrophobicContact CD2-CD1 4.25Å; F390-L476 HydrophobicContact CG-CD1 4.49Å; F390-F479 HydrophobicContact CD2-CD1 4.15Å; F390-F479 AromaticContact CD2-CE1 3.97Å; F390-F479 HydrophobicContact CD2-CE1 3.97Å; F390-F479 HydrophobicContact CE1-CE1 4.27Å; F390-F479 AromaticContact CE2-CD1 3.74Å; F390-F479 HydrophobicContact CE2-CD1 3.74Å; F390-F479 AromaticContact CE2-CE1 3.28Å; F390-F479 HydrophobicContact CE2-CE1 3.28Å; F390-F479 HydrophobicContact CE2-CZ 4.28Å; F390-F479 HydrophobicContact CZ-CD1 4.37Å; F390-F479 AromaticContact CZ-CE1 3.46Å; F390-F479 HydrophobicContact CZ-CE1 3.46Å; F390-F479 VanDerWaalsContact CZ-CE1 3.46Å; F390-F479 HydrophobicContact CZ-CZ 4.13Å; F390-E480 HydrophobicContact CD2-CG 3.64Å; F390-E480 HydrophobicContact CE2-CG 4.01Å; F390-E480 PolarHBondContact N-OE1 2.88Å
391D87.2Confident92.7Very high124 Ų12451 Ų5166%0.66328%0.279SS*.  trans-101.6-31.4-175.558.1-3.4000114.3G393D391-G393 PolarHBondContact O-N 3.25Å
392T79.6Confident93.1Very high97 Ų9749.6 Ų49.660%0.59527%0.269SS*.SBendtrans-92.48.5-17052.80000115R394T392-R394 PolarHBondContact O-N 3.25Å; T392-R394 VanDerWaalsContact O-N 3.13Å; T392-R394 WeakPolarHBondContact OG1-CG 3.33Å
393G82.5Confident93.6Very high17 Ų1747.8 Ų47.818%0.17525%0.246CC..SBendtrans68.52.8-172.200000114.5D391 R396D391-G393 PolarHBondContact O-N 3.25Å; G393-R396 WeakPolarHBondContact O-CG 2.94Å
394R88.6Confident93.8Very high170 Ų17044.8 Ų44.864%0.64222%0.215SC*.THydrogen-bonded Turntrans-61.1159.2165.7-74.7-174.6161.7-169.3-3.7110.3T392 R396T392-R394 PolarHBondContact O-N 3.25Å; T392-R394 VanDerWaalsContact O-N 3.13Å; T392-R394 WeakPolarHBondContact OG1-CG 3.33Å; R394-R396 PolarHBondContact O-N 3.36Å; R394-R396 VanDerWaalsContact O-N 3.07Å
395F94.1Very high93.4Very high29 Ų2947.1 Ų47.113%0.12724%0.243CC..THydrogen-bonded Turntrans61.915.3175.3-48.9-60.5000116.1Y378 S379 Y384 M388 F390 N397Y378-F395 WeakPolarHBondContact CA-O 3.01Å; S379-F395 PolarHBondContact N-O 2.92Å; S379-F395 WeakPolarHBondContact O-CB 3.48Å; Y384-F395 HydrophobicContact CD2-CD2 4.22Å; Y384-F395 HydrophobicContact CD2-CE2 4.03Å; Y384-F395 HydrophobicContact CD2-CZ 4.3Å; M388-F395 HydrophobicContact CE-CE2 3.7Å; M388-F395 HydrophobicContact CE-CZ 3.66Å; M388-F395 HydrophobicContact SD-CE2 4.26Å; M388-F395 HydrophobicContact SD-CZ 3.99Å; F390-F395 HydrophobicContact CD1-CB 3.93Å; F390-F395 HydrophobicContact CD1-CD2 4.04Å; F390-F395 HydrophobicContact CD1-CG 4.45Å; F390-F395 HydrophobicContact CE1-CB 3.58Å; F390-F395 AromaticContact CE1-CD2 3.87Å; F390-F395 HydrophobicContact CE1-CD2 3.87Å; F390-F395 HydrophobicContact CE1-CG 4.03Å; F395-N397 PolarHBondContact O-N 2.86Å
396R94.3Very high93.1Very high181 Ų18147 Ų4768%0.68325%0.253SS*.EExtended strand (participates in β ladder)trans-58.4134.8168.8-77.8179.3-178.8141.42.2110.1G377 Y378 G393 R394G377-R396 CarbonylContact O-C 3.57Å; G377-R396 WeakPolarHBondContact O-CA 3.34Å; Y378-R396 HydrophobicContact CD1-CG 4.16Å; Y378-R396 HydrophobicContact CE1-CG 3.82Å; G393-R396 WeakPolarHBondContact O-CG 2.94Å; R394-R396 PolarHBondContact O-N 3.36Å; R394-R396 VanDerWaalsContact O-N 3.07Å
397N94.8Very high93Very high31 Ų3147.3 Ų47.317%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-145.6165.4-180-150.1-17.1000110.8G377 S379 F395 W399 W415G377-N397 PolarHBondContact N-O 2.98Å; G377-N397 PolarHBondContact O-N 2.75Å; G377-N397 VanDerWaalsContact O-O 3.11Å; S379-N397 VanDerWaalsContact OG-CB 3.27Å; S379-N397 WeakPolarHBondContact OG-CB 3.5Å; S379-N397 PolarHBondContact OG-ND2 3.48Å; F395-N397 PolarHBondContact O-N 2.86Å; N397-W399 HydrophobicContact CB-CE3 4.45Å; N397-W399 HydrophobicContact CB-CZ3 4.3Å; N397-W415 PolarHBondContact ND2-NE1 3.08Å
398T95.9Very high93.1Very high29 Ų2946.5 Ų46.518%0.17825%0.247CC..EExtended strand (participates in β ladder)trans-142.2132.7-176.7-52.50000109.8H358 V374 I375 K376H358-T398 HydrophobicContact CB-CG2 4.41Å; H358-T398 VanDerWaalsContact CD2-CG2 3.48Å; H358-T398 WeakPolarHBondContact CD2-CG2 3.39Å; H358-T398 VanDerWaalsContact CE1-CB 3.48Å; H358-T398 WeakPolarHBondContact CE1-CB 3.44Å; H358-T398 PolarHBondContact ND1-O 2.94Å; V374-T398 HydrophobicContact CG1-CG2 3.14Å; I375-T398 VanDerWaalsContact O-CA 3.26Å; I375-T398 WeakPolarHBondContact O-CA 3.41Å; I375-T398 WeakPolarHBondContact O-CG2 3.45Å; K376-T398 HydrophobicContact CG-CG2 4.23Å
399W98Very high93.3Very high1 Ų144.1 Ų44.10%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-140.6-175.5-178.959.295.3000110.4I375 N397 F410 Q412 F456 F460 P462I375-W399 HydrophobicContact CB-CD2 4.36Å; I375-W399 HydrophobicContact CB-CG 4.44Å; I375-W399 HydrophobicContact CB-CZ2 4.41Å; I375-W399 HydrophobicContact CG2-CD2 4.38Å; I375-W399 HydrophobicContact CG2-CH2 4.4Å; I375-W399 HydrophobicContact CG2-CZ2 3.58Å; I375-W399 PolarHBondContact N-O 3.11Å; I375-W399 PolarHBondContact O-N 3.01Å; N397-W399 HydrophobicContact CB-CE3 4.45Å; N397-W399 HydrophobicContact CB-CZ3 4.3Å; W399-F410 AromaticContact NE1-CD1 3.86Å; W399-F410 AromaticContact NE1-CE1 3.95Å; W399-Q412 HydrophobicContact CB-CG 3.95Å; W399-F456 AromaticContact CD1-CE1 3.74Å; W399-F456 AromaticContact CD1-CZ 3.64Å; W399-F456 HydrophobicContact CD2-CE1 4.32Å; W399-F456 HydrophobicContact CD2-CZ 4.25Å; W399-F456 AromaticContact CE2-CE1 3.76Å; W399-F456 HydrophobicContact CG-CE1 4.3Å; W399-F456 AromaticContact CG-CZ 3.93Å; W399-F456 HydrophobicContact CG-CZ 3.93Å; W399-F456 HydrophobicContact CZ2-CE1 4.26Å; W399-F456 AromaticContact NE1-CE1 3.39Å; W399-F456 AromaticContact NE1-CZ 3.79Å; W399-F460 HydrophobicContact CD2-CD1 4.17Å; W399-F460 AromaticContact CE3-CD1 3.75Å; W399-F460 HydrophobicContact CE3-CD1 3.75Å; W399-F460 HydrophobicContact CE3-CE1 4.47Å; W399-F460 HydrophobicContact CH2-CB 3.96Å; W399-F460 HydrophobicContact CH2-CD1 4.41Å; W399-F460 HydrophobicContact CZ2-CB 3.98Å; W399-F460 HydrophobicContact CZ3-CB 4.31Å; W399-F460 AromaticContact CZ3-CD1 3.89Å; W399-F460 HydrophobicContact CZ3-CD1 3.89Å; W399-P462 HydrophobicContact CZ2-CB 4.13Å; W399-P462 HydrophobicContact CZ2-CG 3.86Å
400N98.6Very high93.4Very high1 Ų140.2 Ų40.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-116.5153.5180-60.7102.7000111.9H358 F361 V373 V411H358-N400 WeakPolarHBondContact CA-OD1 3.38Å; H358-N400 VanDerWaalsContact CB-OD1 3.26Å; H358-N400 WeakPolarHBondContact CB-OD1 3.31Å; H358-N400 PolarHBondContact O-ND2 2.84Å; H358-N400 PolarHBondContact O-OD1 2.96Å; F361-N400 HydrophobicContact CD1-CB 3.76Å; F361-N400 HydrophobicContact CE1-CB 4.12Å; V373-N400 VanDerWaalsContact O-CA 3.25Å; V373-N400 WeakPolarHBondContact O-CA 3.1Å; V373-N400 PolarHBondContact O-ND2 2.99Å; V373-N400 VanDerWaalsContact O-ND2 3.15Å; N400-V411 PolarHBondContact N-O 2.97Å; N400-V411 VanDerWaalsContact N-O 3.11Å; N400-V411 PolarHBondContact O-N 3.22Å
401A98.6Very high93.6Very high0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-120.5139.3153.200000108.7C372 V373 I375 W408 R409 F410 W467C372-A401 WeakPolarHBondContact CA-O 3.42Å; V373-A401 HydrophobicContact CG2-CB 3.77Å; V373-A401 WeakPolarHBondContact CG2-O 3.49Å; V373-A401 PolarHBondContact N-O 2.85Å; V373-A401 PolarHBondContact O-N 3.14Å; I375-A401 HydrophobicContact CD1-CB 3.6Å; A401-W408 HydrophobicContact CB-CE3 4.09Å; A401-R409 CarbonylContact C-O 3.15Å; A401-R409 VanDerWaalsContact CA-O 3.24Å; A401-R409 WeakPolarHBondContact CA-O 3.47Å; A401-F410 HydrophobicContact CB-CD1 4.2Å; A401-F410 HydrophobicContact CB-CE1 4.49Å; A401-W467 HydrophobicContact CB-CE3 4.24Å; A401-W467 HydrophobicContact CB-CZ3 3.95Å
402V98.2Very high94Very high0 Ų034.2 Ų34.20%019%0.186CC..EExtended strand (participates in β ladder)trans-124.3140-179.8570000109.2F361 L370 H371 C372 L404 R409 V411F361-V402 HydrophobicContact CE1-CB 4.29Å; F361-V402 HydrophobicContact CE1-CG1 4.34Å; F361-V402 HydrophobicContact CZ-CG1 4.39Å; L370-V402 HydrophobicContact CB-CG2 4.16Å; L370-V402 HydrophobicContact CD1-CG2 4.29Å; H371-V402 WeakPolarHBondContact O-CA 3.4Å; C372-V402 HydrophobicContact CB-CG2 4.5Å; V402-L404 HydrophobicContact CB-CG 4.44Å; V402-L404 HydrophobicContact CG1-CD1 3.6Å; V402-L404 HydrophobicContact CG1-CD2 4.39Å; V402-L404 HydrophobicContact CG1-CG 3.83Å; V402-L404 HydrophobicContact CG2-CD2 3.83Å; V402-L404 HydrophobicContact CG2-CG 4.05Å; V402-L404 PolarHBondContact O-N 2.56Å; V402-R409 PolarHBondContact N-O 2.88Å; V402-R409 PolarHBondContact O-N 3.41Å; V402-V411 HydrophobicContact CG1-CG2 3.67Å
403Y97.4Very high94.7Very high37 Ų3729.7 Ų29.715%0.14516%0.158CC..EExtended strand (participates in β ladder)trans-86.1112.6-179-168.6-101.2000110.3Y257 P258 P262 H371 G406 S407 W408Y257-Y403 HydrophobicContact CE2-CD1 4.11Å; Y257-Y403 WeakPolarHBondContact CE2-O 3.29Å; Y257-Y403 PolarHBondContact OH-O 2.85Å; P258-Y403 HydrophobicContact CG-CD1 3.83Å; P258-Y403 HydrophobicContact CG-CE1 3.52Å; P262-Y403 HydrophobicContact CB-CD2 4.32Å; P262-Y403 HydrophobicContact CB-CE2 3.94Å; P262-Y403 HydrophobicContact CG-CD1 4.19Å; P262-Y403 HydrophobicContact CG-CD2 3.91Å; P262-Y403 HydrophobicContact CG-CE1 3.94Å; P262-Y403 HydrophobicContact CG-CE2 3.65Å; P262-Y403 HydrophobicContact CG-CG 4.16Å; H371-Y403 PolarHBondContact O-N 2.91Å; Y403-G406 VanDerWaalsContact CE2-C 3.47Å; Y403-G406 WeakPolarHBondContact CE2-O 3.48Å; Y403-G406 VanDerWaalsContact CZ-O 3.27Å; Y403-G406 VanDerWaalsContact OH-CA 3.31Å; Y403-G406 WeakPolarHBondContact OH-CA 3.39Å; Y403-G406 PolarHBondContact OH-O 3.45Å; Y403-S407 CarbonylContact C-O 3.52Å; Y403-S407 WeakPolarHBondContact CA-O 3.41Å; Y403-W408 AromaticContact CD2-CD2 3.99Å; Y403-W408 HydrophobicContact CD2-CD2 3.99Å; Y403-W408 AromaticContact CD2-CE2 3.98Å; Y403-W408 HydrophobicContact CD2-CG 4.06Å
404L94.2Very high95Very high1 Ų131.1 Ų31.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-138.1134.2-172.7-55.7176.1000109.9D313 V314 A317 L370 V402 G406 S407 R409 M450D313-L404 HydrophobicContact CB-CD2 3.96Å; D313-L404 WeakPolarHBondContact O-CD2 3.17Å; V314-L404 HydrophobicContact CG2-CB 4.02Å; A317-L404 HydrophobicContact CB-CD1 3.71Å; A317-L404 HydrophobicContact CB-CD2 3.68Å; A317-L404 HydrophobicContact CB-CG 4.34Å; L370-L404 HydrophobicContact CD1-CD2 4.15Å; V402-L404 HydrophobicContact CB-CG 4.44Å; V402-L404 HydrophobicContact CG1-CD1 3.6Å; V402-L404 HydrophobicContact CG1-CD2 4.39Å; V402-L404 HydrophobicContact CG1-CG 3.83Å; V402-L404 HydrophobicContact CG2-CD2 3.83Å; V402-L404 HydrophobicContact CG2-CG 4.05Å; V402-L404 PolarHBondContact O-N 2.56Å; L404-G406 PolarHBondContact O-N 3.47Å; L404-G406 VanDerWaalsContact O-N 3.13Å; L404-S407 PolarHBondContact N-O 3.29Å; L404-S407 PolarHBondContact O-N 2.66Å; L404-S407 VanDerWaalsContact O-N 3.11Å; L404-R409 HydrophobicContact CB-CG 4.24Å; L404-R409 HydrophobicContact CD1-CB 4.34Å; L404-M450 HydrophobicContact CD1-CG 3.96Å; L404-M450 HydrophobicContact CD1-SD 3.79Å
405G86.5Confident95.1Very high60 Ų6023.8 Ų23.862%0.61913%0.134SC*.THydrogen-bonded Turntrans60.225.4174.800000114.6
406G89.1Confident94.8Very high43 Ų4322.4 Ų22.444%0.44313%0.128SC..THydrogen-bonded Turntrans89.91.9-17900000115.4Y403 L404Y403-G406 VanDerWaalsContact CE2-C 3.47Å; Y403-G406 WeakPolarHBondContact CE2-O 3.48Å; Y403-G406 VanDerWaalsContact CZ-O 3.27Å; Y403-G406 VanDerWaalsContact OH-CA 3.31Å; Y403-G406 WeakPolarHBondContact OH-CA 3.39Å; Y403-G406 PolarHBondContact OH-O 3.45Å; L404-G406 PolarHBondContact O-N 3.47Å; L404-G406 VanDerWaalsContact O-N 3.13Å
407S95Very high94.3Very high8 Ų814.3 Ų14.36%0.05610%0.1CC..EExtended strand (participates in β ladder)trans-139.3159.3179.358.80000113.3Y403 L404 R409Y403-S407 CarbonylContact C-O 3.52Å; Y403-S407 WeakPolarHBondContact CA-O 3.41Å; L404-S407 PolarHBondContact N-O 3.29Å; L404-S407 PolarHBondContact O-N 2.66Å; L404-S407 VanDerWaalsContact O-N 3.11Å; S407-R409 PolarHBondContact OG-NE 3.21Å; S407-R409 PolarHBondContact OG-NH2 2.8Å
408W98.1Very high93Very high4 Ų419.4 Ų19.42%0.01512%0.117CC..EExtended strand (participates in β ladder)trans-77.5134172.6-72.9105.2000110.4P261 P262 P263 H371 V373 A401 Y403 W467 L469P261-W408 HydrophobicContact CB-CH2 4.21Å; P261-W408 HydrophobicContact CB-CZ2 4.11Å; P262-W408 VanDerWaalsContact O-CZ2 3.24Å; P262-W408 WeakPolarHBondContact O-CZ2 3.39Å; P262-W408 PolarHBondContact O-NE1 2.79Å; P263-W408 PolarHBondContact O-NE1 3.33Å; H371-W408 HydrophobicContact CB-CH2 3.91Å; H371-W408 HydrophobicContact CB-CZ3 4.41Å; V373-W408 HydrophobicContact CG1-CH2 3.81Å; V373-W408 HydrophobicContact CG1-CZ3 4.09Å; V373-W408 HydrophobicContact CG2-CE3 4.47Å; V373-W408 HydrophobicContact CG2-CZ3 4.12Å; A401-W408 HydrophobicContact CB-CE3 4.09Å; Y403-W408 AromaticContact CD2-CD2 3.99Å; Y403-W408 HydrophobicContact CD2-CD2 3.99Å; Y403-W408 AromaticContact CD2-CE2 3.98Å; Y403-W408 HydrophobicContact CD2-CG 4.06Å; W408-W467 HydrophobicContact CD2-CH2 4.02Å; W408-W467 AromaticContact CD2-CZ3 3.89Å; W408-W467 HydrophobicContact CD2-CZ3 3.89Å; W408-W467 AromaticContact CE2-CH2 3.93Å; W408-W467 HydrophobicContact CE3-CH2 4.25Å; W408-W467 HydrophobicContact CE3-CZ3 4.13Å; W408-W467 HydrophobicContact CG-CZ3 4.08Å; W408-W467 HydrophobicContact CH2-CH2 4.35Å; W408-W467 HydrophobicContact CZ2-CH2 4.11Å; W408-W467 HydrophobicContact CZ3-CH2 4.42Å; W408-L469 HydrophobicContact CB-CD1 3.63Å; W408-L469 HydrophobicContact CB-CD2 4.16Å
409R97.8Very high91.3Very high2 Ų221.1 Ų21.11%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-130132.4-176.1-62.4-67.7-173-174.1-0.4110.9D269 A401 V402 L404 S407 M450 D452D269-R409 PolarHBondContact O-NH1 3.43Å; D269-R409 PolarHBondContact O-NH2 3.5Å; D269-R409 IonicContact OD1-CZ 2.98Å; D269-R409 IonicContact OD1-NH2 3.16Å; D269-R409 PolarHBondContact OD1-NH2 2.88Å; D269-R409 IonicContact OD2-NH2 3.44Å; D269-R409 PolarHBondContact OD2-NH2 2.92Å; A401-R409 CarbonylContact C-O 3.15Å; A401-R409 VanDerWaalsContact CA-O 3.24Å; A401-R409 WeakPolarHBondContact CA-O 3.47Å; V402-R409 PolarHBondContact N-O 2.88Å; V402-R409 PolarHBondContact O-N 3.41Å; L404-R409 HydrophobicContact CB-CG 4.24Å; L404-R409 HydrophobicContact CD1-CB 4.34Å; S407-R409 PolarHBondContact OG-NE 3.21Å; S407-R409 PolarHBondContact OG-NH2 2.8Å; R409-M450 HydrophobicContact CB-CB 4.24Å; R409-M450 HydrophobicContact CB-CG 3.92Å; R409-M450 HydrophobicContact CG-CE 3.88Å; R409-M450 HydrophobicContact CG-CG 4.24Å; R409-D452 IonicContact NH1-OD1 2.75Å; R409-D452 PolarHBondContact NH1-OD1 3.26Å
410F98.6Very high88.9Confident2 Ų222 Ų221%0.00913%0.127CC..EExtended strand (participates in β ladder)trans-72.8142179.7-65.8-58.8000112.1I375 W399 A401 M450 P453 F456 W467 L469I375-F410 HydrophobicContact CD1-CD1 4.18Å; I375-F410 HydrophobicContact CD1-CE1 3.81Å; W399-F410 AromaticContact NE1-CD1 3.86Å; W399-F410 AromaticContact NE1-CE1 3.95Å; A401-F410 HydrophobicContact CB-CD1 4.2Å; A401-F410 HydrophobicContact CB-CE1 4.49Å; F410-M450 VanDerWaalsContact O-CA 3.26Å; F410-M450 WeakPolarHBondContact O-CA 3.45Å; F410-M450 PolarHBondContact O-N 2.96Å; F410-P453 HydrophobicContact CE2-CB 4.09Å; F410-P453 HydrophobicContact CE2-CG 4.06Å; F410-F456 HydrophobicContact CB-CD1 4.2Å; F410-F456 HydrophobicContact CB-CD2 4Å; F410-F456 HydrophobicContact CB-CE1 4.17Å; F410-F456 HydrophobicContact CB-CE2 3.97Å; F410-F456 HydrophobicContact CB-CG 4.11Å; F410-F456 HydrophobicContact CB-CZ 4.06Å; F410-F456 HydrophobicContact CD1-CD1 4.02Å; F410-F456 AromaticContact CD1-CE1 3.82Å; F410-F456 HydrophobicContact CD1-CE1 3.82Å; F410-F456 HydrophobicContact CD1-CZ 4.36Å; F410-F456 HydrophobicContact CD2-CB 3.76Å; F410-F456 AromaticContact CD2-CD1 3.44Å; F410-F456 HydrophobicContact CD2-CD1 3.44Å; F410-F456 VanDerWaalsContact CD2-CD1 3.44Å; F410-F456 HydrophobicContact CD2-CD2 4.3Å; F410-F456 HydrophobicContact CD2-CE1 4.08Å; F410-F456 AromaticContact CD2-CG 3.57Å; F410-F456 HydrophobicContact CD2-CG 3.57Å; F410-F456 HydrophobicContact CE1-CD1 4.24Å; F410-F456 HydrophobicContact CE1-CE1 4.2Å; F410-F456 HydrophobicContact CE2-CB 4.16Å; F410-F456 AromaticContact CE2-CD1 3.68Å; F410-F456 HydrophobicContact CE2-CD1 3.68Å; F410-F456 HydrophobicContact CE2-CE1 4.42Å; F410-F456 HydrophobicContact CE2-CG 4.13Å; F410-F456 AromaticContact CG-CD1 3.62Å; F410-F456 HydrophobicContact CG-CD1 3.62Å; F410-F456 HydrophobicContact CG-CD2 4.29Å; F410-F456 AromaticContact CG-CE1 3.76Å; F410-F456 HydrophobicContact CG-CE1 3.76Å; F410-F456 HydrophobicContact CG-CE2 4.41Å; F410-F456 AromaticContact CG-CG 3.9Å; F410-F456 HydrophobicContact CG-CG 3.9Å; F410-F456 HydrophobicContact CG-CZ 4.16Å; F410-F456 HydrophobicContact CZ-CD1 4.07Å; F410-F456 HydrophobicContact CZ-CE1 4.47Å; F410-W467 WeakPolarHBondContact CE1-O 3.42Å; F410-W467 WeakPolarHBondContact CZ-O 3.34Å; F410-L469 HydrophobicContact CD1-CD1 4.49Å; F410-L469 HydrophobicContact CE1-CD1 3.87Å; F410-L469 HydrophobicContact CE1-CG 4.28Å; F410-L469 HydrophobicContact CE2-CB 4.3Å; F410-L469 HydrophobicContact CE2-CD1 4Å; F410-L469 HydrophobicContact CE2-CG 4.35Å; F410-L469 HydrophobicContact CZ-CB 4.08Å; F410-L469 HydrophobicContact CZ-CD1 3.6Å; F410-L469 HydrophobicContact CZ-CG 3.75Å
411V98.3Very high86.2Confident0 Ų027.4 Ų27.40%016%0.16CC..EExtended strand (participates in β ladder)trans-137.8127.9172.7-179.60000109.9Y321 F361 N400 V402 Y448 F449Y321-V411 HydrophobicContact CD2-CG1 3.61Å; Y321-V411 HydrophobicContact CE2-CG1 4.1Å; F361-V411 HydrophobicContact CD1-CG1 4.41Å; F361-V411 HydrophobicContact CD2-CG1 4.36Å; F361-V411 HydrophobicContact CE1-CB 3.93Å; F361-V411 HydrophobicContact CE1-CG1 3.96Å; F361-V411 HydrophobicContact CE1-CG2 4.14Å; F361-V411 HydrophobicContact CE2-CG1 3.92Å; F361-V411 HydrophobicContact CZ-CB 4Å; F361-V411 HydrophobicContact CZ-CG1 3.7Å; F361-V411 HydrophobicContact CZ-CG2 3.93Å; N400-V411 PolarHBondContact N-O 2.97Å; N400-V411 VanDerWaalsContact N-O 3.11Å; N400-V411 PolarHBondContact O-N 3.22Å; V402-V411 HydrophobicContact CG1-CG2 3.67Å; V411-Y448 WeakPolarHBondContact CA-O 3.24Å; V411-F449 HydrophobicContact CG1-CD2 4.41Å; V411-F449 HydrophobicContact CG2-CD2 3.98Å; V411-F449 HydrophobicContact CG2-CE2 4.32Å
412Q95.9Very high83Confident5 Ų530.6 Ų30.62%0.02318%0.177CC..  trans-124.389.4177.1-137-51.7-6.400110.7W399 N414 W415 G416 Y448 F460W399-Q412 HydrophobicContact CB-CG 3.95Å; Q412-N414 PolarHBondContact O-N 3.3Å; Q412-W415 HydrophobicContact CB-CB 4.34Å; Q412-W415 HydrophobicContact CG-CB 4.28Å; Q412-W415 HydrophobicContact CG-CG 4.22Å; Q412-G416 PolarHBondContact O-N 2.99Å; Q412-Y448 HydrophobicContact CB-CD1 4Å; Q412-Y448 HydrophobicContact CB-CG 4.21Å; Q412-Y448 PolarHBondContact N-O 3.46Å; Q412-Y448 WeakPolarHBondContact O-CB 3.32Å; Q412-F460 HydrophobicContact CG-CE1 3.94Å; Q412-F460 HydrophobicContact CG-CZ 3.77Å
413C93.6Very high79.9Confident2 Ų234.2 Ų34.21%0.01421%0.207CC..Hα-helixtrans-65.8-37.2-178.3-68.40000114.3I324 Y357 F361 A417I324-C413 HydrophobicContact CG2-CB 3.93Å; Y357-C413 HydrophobicContact CD1-CB 4.37Å; Y357-C413 HydrophobicContact CG-CB 4.45Å; F361-C413 WeakPolarHBondContact CD2-SG 3.41Å; C413-A417 VanDerWaalsContact O-CB 3.27Å; C413-A417 WeakPolarHBondContact O-CB 3.38Å; C413-A417 PolarHBondContact O-N 2.9Å
414N89.9Confident77Confident47 Ų4741.6 Ų41.625%0.25124%0.235SC..Hα-helixtrans-66.9-41.2-179.1-175.935.8000111.7Y357 Q412 R418Y357-N414 HydrophobicContact CD2-CB 3.62Å; Y357-N414 HydrophobicContact CE2-CB 4.23Å; Y357-N414 WeakPolarHBondContact CE2-OD1 3.4Å; Y357-N414 HydrophobicContact CG-CB 4.23Å; Q412-N414 PolarHBondContact O-N 3.3Å; N414-R418 VanDerWaalsContact O-CG 3.31Å; N414-R418 WeakPolarHBondContact O-CG 3.49Å; N414-R418 PolarHBondContact O-N 2.89Å
415W90Very high74.1Confident16 Ų1647.3 Ų47.36%0.06127%0.265CS..Hα-helixtrans-74.3-39.3176.9-73.762.3000111.2N397 Q412 A417 R418 Y448 E459 F460N397-W415 PolarHBondContact ND2-NE1 3.08Å; Q412-W415 HydrophobicContact CB-CB 4.34Å; Q412-W415 HydrophobicContact CG-CB 4.28Å; Q412-W415 HydrophobicContact CG-CG 4.22Å; W415-A417 VanDerWaalsContact C-N 3.28Å; W415-A417 PolarHBondContact O-N 3.42Å; W415-R418 PolarHBondContact O-N 3.44Å; W415-Y448 HydrophobicContact CB-CD1 3.91Å; W415-Y448 HydrophobicContact CB-CD2 3.62Å; W415-Y448 HydrophobicContact CB-CE1 3.99Å; W415-Y448 HydrophobicContact CB-CE2 3.71Å; W415-Y448 HydrophobicContact CB-CG 3.75Å; W415-Y448 HydrophobicContact CD2-CE1 4.3Å; W415-Y448 AromaticContact CE3-CE1 3.98Å; W415-Y448 HydrophobicContact CE3-CE1 3.98Å; W415-Y448 HydrophobicContact CE3-CE2 4.15Å; W415-Y448 AromaticContact CE3-CZ 3.51Å; W415-Y448 HydrophobicContact CG-CE1 4.38Å; W415-E459 VanDerWaalsContact CZ3-OE1 3.29Å; W415-E459 WeakPolarHBondContact CZ3-OE1 3.4Å; W415-F460 AromaticContact CD2-CZ 3.86Å; W415-F460 HydrophobicContact CD2-CZ 3.86Å; W415-F460 AromaticContact CE2-CZ 3.58Å; W415-F460 HydrophobicContact CE3-CZ 4.49Å; W415-F460 HydrophobicContact CG-CZ 4.08Å; W415-F460 HydrophobicContact CZ2-CE1 4.28Å; W415-F460 AromaticContact CZ2-CZ 3.95Å; W415-F460 HydrophobicContact CZ2-CZ 3.95Å; W415-F460 AromaticContact NE1-CE1 3.78Å; W415-F460 AromaticContact NE1-CZ 3.66Å
416G88.8Confident71.4Confident0 Ų049.2 Ų49.20%027%0.265CS..Hα-helixtrans-57-35.8172.100000114.9Y321 Q412 D445Y321-G416 WeakPolarHBondContact OH-CA 3.18Å; Q412-G416 PolarHBondContact O-N 2.99Å; G416-D445 PolarHBondContact O-N 3.34Å
417A83Confident68.5Low12 Ų1253 Ų5310%0.09928%0.281CS..Hα-helixtrans-82.5-20.1-178.300000114.3T325 C413 W415 H419 L420T325-A417 HydrophobicContact CG2-CB 4.28Å; C413-A417 VanDerWaalsContact O-CB 3.27Å; C413-A417 WeakPolarHBondContact O-CB 3.38Å; C413-A417 PolarHBondContact O-N 2.9Å; W415-A417 VanDerWaalsContact C-N 3.28Å; W415-A417 PolarHBondContact O-N 3.42Å; A417-H419 VanDerWaalsContact C-N 3.25Å; A417-H419 PolarHBondContact O-N 3.31Å; A417-L420 PolarHBondContact O-N 3.48Å
418R68.2Low65.6Low138 Ų13859.3 Ų59.352%0.52131%0.314SS..THydrogen-bonded Turntrans-68.2-19.2-172.6-88.9173.4162.4-157.5-8.3114.6N414 W415 L420N414-R418 VanDerWaalsContact O-CG 3.31Å; N414-R418 WeakPolarHBondContact O-CG 3.49Å; N414-R418 PolarHBondContact O-N 2.89Å; W415-R418 PolarHBondContact O-N 3.44Å; R418-L420 VanDerWaalsContact C-N 3.32Å
419H59.4Low62.6Low65 Ų6564.2 Ų64.230%0.30136%0.355SS..THydrogen-bonded Turntrans-83.7-1.6179.4-74.3-69.9000114.7A417 V421 E443 D445A417-H419 VanDerWaalsContact C-N 3.25Å; A417-H419 PolarHBondContact O-N 3.31Å; H419-V421 PolarHBondContact O-N 3.39Å; H419-E443 CarbonylContact C-O 3.44Å; H419-D445 IonicContact CD2-OD2 3.4Å; H419-D445 IonicContact NE2-OD2 2.75Å
420L48.6Very low59.7Low18 Ų1867.9 Ų67.99%0.09439%0.394CS..  trans-71.964.5166-67.8-179.3000111.1T325 N328 A417 R418 Y442 E443T325-L420 WeakPolarHBondContact O-CD1 3.37Å; N328-L420 HydrophobicContact CB-CD1 4.15Å; N328-L420 PolarHBondContact ND2-O 3.33Å; N328-L420 VanDerWaalsContact ND2-O 3.1Å; A417-L420 PolarHBondContact O-N 3.48Å; R418-L420 VanDerWaalsContact C-N 3.32Å; L420-Y442 HydrophobicContact CD2-CD1 4.39Å; L420-E443 WeakPolarHBondContact CD2-O 3.16Å; L420-E443 WeakPolarHBondContact CG-O 3.45Å; L420-E443 PolarHBondContact N-O 2.82Å
421V41.2Very low56.6Low115 Ų11572.7 Ų72.770%0.69743%0.427SS*.  trans-88.9124.8169.4-165.70000107H419 A423H419-V421 PolarHBondContact O-N 3.39Å; V421-A423 PolarHBondContact O-N 3.17Å
422N31.7Very low53.5Low67 Ų6784.7 Ų84.736%0.35847%0.473SS..  trans-44133.9-171.1-60.3-27.9000113.2L331 R424L331-N422 VanDerWaalsContact CD1-OD1 3.29Å; L331-N422 WeakPolarHBondContact CD1-OD1 3.48Å; N422-R424 HydrophobicContact CB-CB 4.02Å; N422-R424 PolarHBondContact O-N 3.34Å
423A33.5Very low50.5Low77 Ų7788.6 Ų88.664%0.63651%0.506SS*.THydrogen-bonded Turntrans-67.534.4162.900000112.6V421V421-A423 PolarHBondContact O-N 3.17Å
424R34.7Very low47.6Very low191 Ų19197 Ų9772%0.72155%0.548SS*.THydrogen-bonded Turntrans-100.9-8.2-179.3-133.4-178.8-177.9-165.2-1.3114.2N422 V426N422-R424 HydrophobicContact CB-CB 4.02Å; N422-R424 PolarHBondContact O-N 3.34Å; R424-V426 VanDerWaalsContact C-N 3.33Å; R424-V426 PolarHBondContact O-N 3.02Å
425D33.4Very low45Very low121 Ų12198 Ų9865%0.64757%0.57SS**SBendtrans-96.244.1179.7-67-21.5000113.9
426V29.7Very low42Very low101 Ų101106 Ų10661%0.61261%0.608SS**  trans-133.898.2147.9-169.60000106.8R424 L428R424-V426 VanDerWaalsContact C-N 3.33Å; R424-V426 PolarHBondContact O-N 3.02Å; V426-L428 HydrophobicContact CG1-CD1 4.06Å; V426-L428 HydrophobicContact CG1-CG 4.45Å; V426-L428 PolarHBondContact O-N 3.35Å
427P28.3Very low39.3Very low121 Ų121111.5 Ų111.579%0.78665%0.646SS**  trans-66.294.31626.46000106.5A429P427-A429 PolarHBondContact O-N 3.31Å
428L34.9Very low36.8Very low142 Ų142118.1 Ų118.174%0.74368%0.675SS**  trans-65.996.9158.8-91.3111.2000106.3V426 G430V426-L428 HydrophobicContact CG1-CD1 4.06Å; V426-L428 HydrophobicContact CG1-CG 4.45Å; V426-L428 PolarHBondContact O-N 3.35Å; L428-G430 PolarHBondContact O-N 3.46Å
429A35.8Very low35.3Very low106 Ų106116 Ų11688%0.87668%0.681SS**THydrogen-bonded Turntrans-53.4107.216800000108.4P427P427-A429 PolarHBondContact O-N 3.31Å
430G37Very low34.3Very low79 Ų79117 Ų11781%0.81469%0.689SS**THydrogen-bonded Turntrans129.7-9.9164.500000118.7L428 R432L428-G430 PolarHBondContact O-N 3.46Å; G430-R432 PolarHBondContact O-N 3.3Å
431S32.8Very low34.1Very low103 Ų103125 Ų12572%0.7272%0.718SS**  trans-97.792.8-180-95.10000113.4A433S431-A433 VanDerWaalsContact C-N 3.3Å; S431-A433 PolarHBondContact O-N 3.34Å
432R33.1Very low34.4Very low253 Ų253122.8 Ų122.896%0.95570%0.697SS**  trans-7980.4154.3-73.7-179.9-179.3169.70.3108.2G430G430-R432 PolarHBondContact O-N 3.3Å
433A32.8Very low36Very low86 Ų86124.3 Ų124.371%0.71170%0.702SS**  trans-109.6108.3173.200000109.8S431S431-A433 VanDerWaalsContact C-N 3.3Å; S431-A433 PolarHBondContact O-N 3.34Å
434I31.9Very low37.7Very low178 Ų178122.7 Ų122.791%0.91368%0.68SS**  trans-69.2125.1171.8-67.6157.6000108.2
435G36Very low40.1Very low68 Ų68114.5 Ų114.570%0.70165%0.65SS**SBendtrans95.920.5150.500000120.4
436H28Very low42.8Very low185 Ų185109.9 Ų109.986%0.85663%0.625SS**SBendtrans-125.2121.8162.6-96.4-4.6000111E438H436-E438 PolarHBondContact O-N 3.36Å
437S30.4Very low45.8Very low115 Ų115105.7 Ų105.780%0.80460%0.599SS**  trans-29.6108.1173.8-177.10000110.1S439S437-S439 PolarHBondContact O-N 3.46Å
438E32.5Very low49Very low152 Ų152100 Ų10071%0.7156%0.562SS**  trans-44.6116.2167-78.5176.8149.400106.5H436 L440H436-E438 PolarHBondContact O-N 3.36Å; E438-L440 PolarHBondContact O-N 3.21Å
439S34.8Very low51.9Low92 Ų9293.3 Ų93.364%0.64353%0.527SS*.  trans-66.881.6-176.5166.40000108.1S437 R441S437-S439 PolarHBondContact O-N 3.46Å; S439-R441 PolarHBondContact O-N 3.46Å
440L38.5Very low54.8Low88 Ų8888.3 Ų88.346%0.46149%0.485SS..  trans-54.193.9162.8-73165.9000106.2E438 Y442E438-L440 PolarHBondContact O-N 3.21Å; L440-Y442 VanDerWaalsContact C-N 3.27Å; L440-Y442 HydrophobicContact CB-CD2 4.46Å; L440-Y442 HydrophobicContact CB-CE1 4.28Å; L440-Y442 HydrophobicContact CB-CE2 4.12Å; L440-Y442 HydrophobicContact CD1-CE1 4.41Å; L440-Y442 VanDerWaalsContact O-CD2 3.3Å; L440-Y442 WeakPolarHBondContact O-CD2 3.37Å; L440-Y442 PolarHBondContact O-N 3.48Å
441R44.4Very low57.6Low186 Ų18684.6 Ų84.670%0.70245%0.447SS*.  trans-66.899165.7-74.1-171.5-179165.70.8105.1S439 E443S439-R441 PolarHBondContact O-N 3.46Å; R441-E443 HydrophobicContact CB-CG 4.26Å; R441-E443 PolarHBondContact O-N 3.34Å
442Y49.1Very low60.7Low68 Ų6880.2 Ų80.227%0.26742%0.415SS..  trans-70.172174.8-66.4-74.4000108.8V289 R322 V326 L420 L440 Y444V289-Y442 HydrophobicContact CG1-CD2 3.96Å; V289-Y442 HydrophobicContact CG1-CE2 3.58Å; V289-Y442 HydrophobicContact CG2-CD2 4.33Å; R322-Y442 PolarHBondContact NH1-O 2.67Å; R322-Y442 PolarHBondContact NH2-O 3.23Å; V326-Y442 HydrophobicContact CB-CD1 4.36Å; V326-Y442 HydrophobicContact CG2-CD1 3.13Å; V326-Y442 HydrophobicContact CG2-CD2 4.13Å; V326-Y442 HydrophobicContact CG2-CE1 3.4Å; V326-Y442 VanDerWaalsContact CG2-CE1 3.4Å; V326-Y442 HydrophobicContact CG2-CE2 4.35Å; V326-Y442 HydrophobicContact CG2-CG 3.52Å; L420-Y442 HydrophobicContact CD2-CD1 4.39Å; L440-Y442 VanDerWaalsContact C-N 3.27Å; L440-Y442 HydrophobicContact CB-CD2 4.46Å; L440-Y442 HydrophobicContact CB-CE1 4.28Å; L440-Y442 HydrophobicContact CB-CE2 4.12Å; L440-Y442 HydrophobicContact CD1-CE1 4.41Å; L440-Y442 VanDerWaalsContact O-CD2 3.3Å; L440-Y442 WeakPolarHBondContact O-CD2 3.37Å; L440-Y442 PolarHBondContact O-N 3.48Å; Y442-Y444 PolarHBondContact O-N 3.24Å
443E63.9Low63.8Low98 Ų9868.3 Ų68.346%0.45837%0.371SS..  trans-73.3113.7175-70.8-177.5-165.700109.6H419 L420 R441H419-E443 CarbonylContact C-O 3.44Å; L420-E443 WeakPolarHBondContact CD2-O 3.16Å; L420-E443 WeakPolarHBondContact CG-O 3.45Å; L420-E443 PolarHBondContact N-O 2.82Å; R441-E443 HydrophobicContact CB-CG 4.26Å; R441-E443 PolarHBondContact O-N 3.34Å
444Y70.7Confident66.8Low44 Ų4468.8 Ų68.817%0.17336%0.358CS..  trans-110.4163.5167.566-73.8000107.9I278 R318 Y321 Y442 D446I278-Y444 WeakPolarHBondContact CG2-OH 3.23Å; R318-Y444 PolarHBondContact NH2-OH 2.9Å; Y321-Y444 AromaticContact CE1-CD2 3.88Å; Y321-Y444 HydrophobicContact CE1-CD2 3.88Å; Y321-Y444 HydrophobicContact CE1-CE2 4.44Å; Y442-Y444 PolarHBondContact O-N 3.24Å; Y444-D446 HydrophobicContact CD2-CB 4.49Å; Y444-D446 HydrophobicContact CE2-CB 3.76Å
445D83.5Confident69.9Low19 Ų1963 Ų6310%0.10233%0.327CS..  trans-97.8109.8172.4-168-17.5000110.4Y321 G416 H419 H447 Y448 S487Y321-D445 PolarHBondContact OH-O 2.64Å; G416-D445 PolarHBondContact O-N 3.34Å; H419-D445 IonicContact CD2-OD2 3.4Å; H419-D445 IonicContact NE2-OD2 2.75Å; D445-H447 PolarHBondContact O-N 3.05Å; D445-H447 WeakPolarHBondContact OD1-CB 3.27Å; D445-H447 PolarHBondContact OD1-N 3.02Å; D445-Y448 HydrophobicContact CB-CD2 3.9Å; D445-Y448 HydrophobicContact CB-CE2 4.25Å; D445-Y448 WeakPolarHBondContact OD2-CE2 3.29Å; D445-S487 WeakPolarHBondContact OD2-CB 3.5Å; D445-S487 PolarHBondContact OD2-OG 3.16Å
446D90.4Very high72.9Confident23 Ų2359.9 Ų59.912%0.12329%0.294CS..G310 helixtrans-64.3-26.3178-174.374.6000112.4K271 I278 R318 Y444 Y448 F449K271-D446 WeakPolarHBondContact CE-OD2 3.27Å; K271-D446 PolarHBondContact NZ-O 2.91Å; K271-D446 IonicContact NZ-OD2 4Å; K271-D446 PolarHBondContact NZ-OD2 2.97Å; I278-D446 HydrophobicContact CD1-CB 3.81Å; I278-D446 HydrophobicContact CG1-CB 4.46Å; R318-D446 IonicContact CZ-OD1 2.76Å; R318-D446 IonicContact NH1-OD1 3.93Å; R318-D446 PolarHBondContact NH1-OD1 2.91Å; R318-D446 IonicContact NH2-OD1 3.28Å; Y444-D446 HydrophobicContact CD2-CB 4.49Å; Y444-D446 HydrophobicContact CE2-CB 3.76Å; D446-Y448 PolarHBondContact O-N 2.76Å; D446-Y448 VanDerWaalsContact O-N 3.11Å; D446-F449 PolarHBondContact O-N 2.83Å
447H92.9Very high76.2Confident13 Ų1351.6 Ų51.66%0.0626%0.257CS..G310 helixtrans-52.7-39.9-178.4178.271000111.5D445 F449 T451 E455 E459 S487 F490D445-H447 PolarHBondContact O-N 3.05Å; D445-H447 WeakPolarHBondContact OD1-CB 3.27Å; D445-H447 PolarHBondContact OD1-N 3.02Å; H447-F449 PolarHBondContact O-N 2.8Å; H447-T451 VanDerWaalsContact CE1-CG2 3.45Å; H447-T451 WeakPolarHBondContact CE1-CG2 3.19Å; H447-T451 WeakPolarHBondContact O-CB 3.37Å; H447-T451 PolarHBondContact O-OG1 3.14Å; H447-E455 IonicContact CE1-OE2 3.73Å; H447-E455 PolarHBondContact CE1-OE2 3.19Å; H447-E455 IonicContact ND1-OE2 2.73Å; H447-E459 IonicContact NE2-OE2 3.39Å; H447-S487 VanDerWaalsContact CD2-CB 3.5Å; H447-S487 WeakPolarHBondContact CD2-CB 3.44Å; H447-F490 AromaticContact CE1-CD2 3.27Å; H447-F490 WeakPolarHBondContact CE1-CD2 3.44Å; H447-F490 AromaticContact CE1-CE2 3.93Å; H447-F490 AromaticContact CE1-CG 3.81Å; H447-F490 AromaticContact ND1-CD2 3.99Å; H447-F490 AromaticContact NE2-CD2 3.78Å
448Y95.4Very high79.4Confident3 Ų348.6 Ų48.61%0.01223%0.228CC..G310 helixtrans-80.99.3-177.9-62-63.4000115.3V411 Q412 W415 D445 D446 E459 F460V411-Y448 WeakPolarHBondContact CA-O 3.24Å; Q412-Y448 HydrophobicContact CB-CD1 4Å; Q412-Y448 HydrophobicContact CB-CG 4.21Å; Q412-Y448 PolarHBondContact N-O 3.46Å; Q412-Y448 WeakPolarHBondContact O-CB 3.32Å; W415-Y448 HydrophobicContact CB-CD1 3.91Å; W415-Y448 HydrophobicContact CB-CD2 3.62Å; W415-Y448 HydrophobicContact CB-CE1 3.99Å; W415-Y448 HydrophobicContact CB-CE2 3.71Å; W415-Y448 HydrophobicContact CB-CG 3.75Å; W415-Y448 HydrophobicContact CD2-CE1 4.3Å; W415-Y448 AromaticContact CE3-CE1 3.98Å; W415-Y448 HydrophobicContact CE3-CE1 3.98Å; W415-Y448 HydrophobicContact CE3-CE2 4.15Å; W415-Y448 AromaticContact CE3-CZ 3.51Å; W415-Y448 HydrophobicContact CG-CE1 4.38Å; D445-Y448 HydrophobicContact CB-CD2 3.9Å; D445-Y448 HydrophobicContact CB-CE2 4.25Å; D445-Y448 WeakPolarHBondContact OD2-CE2 3.29Å; D446-Y448 PolarHBondContact O-N 2.76Å; D446-Y448 VanDerWaalsContact O-N 3.11Å; Y448-E459 VanDerWaalsContact CE1-OE2 3.24Å; Y448-E459 WeakPolarHBondContact CE1-OE2 3.38Å; Y448-E459 PolarHBondContact OH-OE1 3.34Å; Y448-E459 PolarHBondContact OH-OE2 2.55Å; Y448-F460 HydrophobicContact CD1-CE2 4.34Å; Y448-F460 AromaticContact CE1-CE2 3.95Å; Y448-F460 HydrophobicContact CE1-CE2 3.95Å; Y448-F460 HydrophobicContact CE1-CZ 4.35Å
449F96Very high82.5Confident0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-114.4120.6169.2178.9-106.6000110.1K271 Y275 A317 R318 Y321 V411 D446 H447 T451K271-F449 WeakPolarHBondContact CE-O 3.43Å; K271-F449 PolarHBondContact NZ-O 3.27Å; Y275-F449 WeakPolarHBondContact OH-CD1 3.49Å; A317-F449 HydrophobicContact CB-CE2 4.04Å; A317-F449 HydrophobicContact CB-CZ 4.2Å; R318-F449 HydrophobicContact CB-CE1 4Å; R318-F449 HydrophobicContact CB-CE2 4.47Å; R318-F449 HydrophobicContact CB-CZ 3.73Å; R318-F449 HydrophobicContact CG-CE1 4.47Å; Y321-F449 HydrophobicContact CD1-CB 3.86Å; Y321-F449 AromaticContact CD1-CD2 3.97Å; Y321-F449 HydrophobicContact CD1-CD2 3.97Å; Y321-F449 HydrophobicContact CD1-CG 4.01Å; Y321-F449 HydrophobicContact CD2-CB 4.39Å; Y321-F449 HydrophobicContact CD2-CD2 4.15Å; Y321-F449 HydrophobicContact CE1-CB 3.66Å; Y321-F449 HydrophobicContact CE1-CG 4.33Å; Y321-F449 HydrophobicContact CE2-CB 4.21Å; Y321-F449 HydrophobicContact CG-CB 4.21Å; Y321-F449 AromaticContact CG-CD2 3.69Å; Y321-F449 HydrophobicContact CG-CD2 3.69Å; Y321-F449 HydrophobicContact CG-CE2 4.46Å; Y321-F449 HydrophobicContact CG-CG 4.2Å; V411-F449 HydrophobicContact CG1-CD2 4.41Å; V411-F449 HydrophobicContact CG2-CD2 3.98Å; V411-F449 HydrophobicContact CG2-CE2 4.32Å; D446-F449 PolarHBondContact O-N 2.83Å; H447-F449 PolarHBondContact O-N 2.8Å; F449-T451 VanDerWaalsContact C-N 3.26Å; F449-T451 PolarHBondContact O-N 3.47Å
450M95.7Very high85.5Confident1 Ų137 Ų371%0.00516%0.163CC..EExtended strand (participates in β ladder)trans56.235.2-176.3-60.9-176.750.600114K271 V274 Y275 V314 L404 R409 F410 D452K271-M450 WeakPolarHBondContact CD-O 3.49Å; K271-M450 HydrophobicContact CG-CB 4.37Å; K271-M450 WeakPolarHBondContact CG-O 3.22Å; V274-M450 HydrophobicContact CB-CE 4.13Å; V274-M450 HydrophobicContact CG1-CE 3.96Å; V274-M450 HydrophobicContact CG2-CE 3.99Å; Y275-M450 HydrophobicContact CE1-CE 4.36Å; Y275-M450 HydrophobicContact CE1-SD 4.03Å; V314-M450 HydrophobicContact CG1-SD 3.71Å; V314-M450 HydrophobicContact CG2-CE 4.41Å; V314-M450 HydrophobicContact CG2-SD 4.27Å; L404-M450 HydrophobicContact CD1-CG 3.96Å; L404-M450 HydrophobicContact CD1-SD 3.79Å; R409-M450 HydrophobicContact CB-CB 4.24Å; R409-M450 HydrophobicContact CB-CG 3.92Å; R409-M450 HydrophobicContact CG-CE 3.88Å; R409-M450 HydrophobicContact CG-CG 4.24Å; F410-M450 VanDerWaalsContact O-CA 3.26Å; F410-M450 WeakPolarHBondContact O-CA 3.45Å; F410-M450 PolarHBondContact O-N 2.96Å; M450-D452 PolarHBondContact O-N 2.9Å
451T96.4Very high88.4Confident1 Ų133.8 Ų33.81%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-56.7134.5178.3-34.80000110.8H447 F449 E455 F456H447-T451 VanDerWaalsContact CE1-CG2 3.45Å; H447-T451 WeakPolarHBondContact CE1-CG2 3.19Å; H447-T451 WeakPolarHBondContact O-CB 3.37Å; H447-T451 PolarHBondContact O-OG1 3.14Å; F449-T451 VanDerWaalsContact C-N 3.26Å; F449-T451 PolarHBondContact O-N 3.47Å; T451-E455 HydrophobicContact CG2-CB 4.16Å; T451-F456 HydrophobicContact CG2-CB 3.9Å; T451-F456 HydrophobicContact CG2-CD2 3.94Å; T451-F456 HydrophobicContact CG2-CG 4.43Å
452D97.7Very high91Very high11 Ų1125 Ų256%0.05911%0.113CC..  trans-66.9140.2176.1-73.2-40.1000110.5Q270 K271 R409 M450 E454 E455 F456Q270-D452 WeakPolarHBondContact CA-OD1 3.46Å; K271-D452 WeakPolarHBondContact CB-OD2 3.42Å; K271-D452 VanDerWaalsContact N-CG 3.31Å; K271-D452 PolarHBondContact N-OD1 3.04Å; K271-D452 PolarHBondContact N-OD2 3.46Å; R409-D452 IonicContact NH1-OD1 2.75Å; R409-D452 PolarHBondContact NH1-OD1 3.26Å; M450-D452 PolarHBondContact O-N 2.9Å; D452-E454 PolarHBondContact O-N 3.26Å; D452-E455 PolarHBondContact O-N 3.15Å; D452-F456 WeakPolarHBondContact O-CB 3.47Å; D452-F456 PolarHBondContact O-N 3.18Å
453P98.4Very high93.2Very high3 Ų325.6 Ų25.62%0.01913%0.127CC..Hα-helixtrans-54.1-37.3-177.5-3038.1000114.7P267 F410 E455 F456 I457 L469 L470P267-P453 HydrophobicContact CG-CG 3.74Å; F410-P453 HydrophobicContact CE2-CB 4.09Å; F410-P453 HydrophobicContact CE2-CG 4.06Å; P453-E455 VanDerWaalsContact C-N 3.27Å; P453-E455 PolarHBondContact O-N 3.49Å; P453-F456 PolarHBondContact O-N 3Å; P453-I457 WeakPolarHBondContact O-CB 3.27Å; P453-I457 WeakPolarHBondContact O-CG2 3.35Å; P453-I457 PolarHBondContact O-N 2.98Å; P453-L469 HydrophobicContact CB-CB 4.26Å; P453-L469 HydrophobicContact CG-CB 3.81Å; P453-L470 HydrophobicContact CB-CD2 3.75Å; P453-L470 HydrophobicContact CB-CG 4.18Å
454E96.6Very high94.9Very high97 Ų9725.9 Ų25.945%0.45313%0.128SC..Hα-helixtrans-65.9-27.3178.8-66.677.5-172.400113D452 Y458 L470D452-E454 PolarHBondContact O-N 3.26Å; E454-Y458 WeakPolarHBondContact O-CD2 2.99Å; E454-Y458 WeakPolarHBondContact O-CE2 3.18Å; E454-L470 HydrophobicContact CG-CD2 3.95Å
455E97.3Very high96.2Very high56 Ų5626.9 Ų26.926%0.26214%0.14SC..Hα-helixtrans-89.2-43.4173.5-58.2-170.6170.200110.7H447 T451 D452 P453 I457 Y458 F490H447-E455 IonicContact CE1-OE2 3.73Å; H447-E455 PolarHBondContact CE1-OE2 3.19Å; H447-E455 IonicContact ND1-OE2 2.73Å; T451-E455 HydrophobicContact CG2-CB 4.16Å; D452-E455 PolarHBondContact O-N 3.15Å; P453-E455 VanDerWaalsContact C-N 3.27Å; P453-E455 PolarHBondContact O-N 3.49Å; E455-I457 VanDerWaalsContact C-N 3.3Å; E455-I457 PolarHBondContact O-N 3.44Å; E455-Y458 WeakPolarHBondContact O-CB 3.27Å; E455-Y458 PolarHBondContact O-N 2.85Å; E455-Y458 VanDerWaalsContact O-N 3.15Å; E455-F490 HydrophobicContact CB-CD1 3.97Å; E455-F490 HydrophobicContact CB-CD2 4.35Å; E455-F490 HydrophobicContact CB-CE1 3.75Å; E455-F490 HydrophobicContact CB-CE2 4.13Å; E455-F490 HydrophobicContact CB-CG 4.26Å; E455-F490 HydrophobicContact CB-CZ 3.83Å; E455-F490 VanDerWaalsContact CD-CD1 3.43Å; E455-F490 HydrophobicContact CG-CD1 3.59Å; E455-F490 HydrophobicContact CG-CE1 3.63Å; E455-F490 HydrophobicContact CG-CG 4.19Å; E455-F490 HydrophobicContact CG-CZ 4.25Å
456F98.2Very high96.9Very high2 Ų229.3 Ų29.31%0.00915%0.151CC..Hα-helixtrans-62.3-35.8-175.6-164.9-104.7000112.7W399 F410 T451 D452 P453 Y458 E459 F460W399-F456 AromaticContact CD1-CE1 3.74Å; W399-F456 AromaticContact CD1-CZ 3.64Å; W399-F456 HydrophobicContact CD2-CE1 4.32Å; W399-F456 HydrophobicContact CD2-CZ 4.25Å; W399-F456 AromaticContact CE2-CE1 3.76Å; W399-F456 HydrophobicContact CG-CE1 4.3Å; W399-F456 AromaticContact CG-CZ 3.93Å; W399-F456 HydrophobicContact CG-CZ 3.93Å; W399-F456 HydrophobicContact CZ2-CE1 4.26Å; W399-F456 AromaticContact NE1-CE1 3.39Å; W399-F456 AromaticContact NE1-CZ 3.79Å; F410-F456 HydrophobicContact CB-CD1 4.2Å; F410-F456 HydrophobicContact CB-CD2 4Å; F410-F456 HydrophobicContact CB-CE1 4.17Å; F410-F456 HydrophobicContact CB-CE2 3.97Å; F410-F456 HydrophobicContact CB-CG 4.11Å; F410-F456 HydrophobicContact CB-CZ 4.06Å; F410-F456 HydrophobicContact CD1-CD1 4.02Å; F410-F456 AromaticContact CD1-CE1 3.82Å; F410-F456 HydrophobicContact CD1-CE1 3.82Å; F410-F456 HydrophobicContact CD1-CZ 4.36Å; F410-F456 HydrophobicContact CD2-CB 3.76Å; F410-F456 AromaticContact CD2-CD1 3.44Å; F410-F456 HydrophobicContact CD2-CD1 3.44Å; F410-F456 VanDerWaalsContact CD2-CD1 3.44Å; F410-F456 HydrophobicContact CD2-CD2 4.3Å; F410-F456 HydrophobicContact CD2-CE1 4.08Å; F410-F456 AromaticContact CD2-CG 3.57Å; F410-F456 HydrophobicContact CD2-CG 3.57Å; F410-F456 HydrophobicContact CE1-CD1 4.24Å; F410-F456 HydrophobicContact CE1-CE1 4.2Å; F410-F456 HydrophobicContact CE2-CB 4.16Å; F410-F456 AromaticContact CE2-CD1 3.68Å; F410-F456 HydrophobicContact CE2-CD1 3.68Å; F410-F456 HydrophobicContact CE2-CE1 4.42Å; F410-F456 HydrophobicContact CE2-CG 4.13Å; F410-F456 AromaticContact CG-CD1 3.62Å; F410-F456 HydrophobicContact CG-CD1 3.62Å; F410-F456 HydrophobicContact CG-CD2 4.29Å; F410-F456 AromaticContact CG-CE1 3.76Å; F410-F456 HydrophobicContact CG-CE1 3.76Å; F410-F456 HydrophobicContact CG-CE2 4.41Å; F410-F456 AromaticContact CG-CG 3.9Å; F410-F456 HydrophobicContact CG-CG 3.9Å; F410-F456 HydrophobicContact CG-CZ 4.16Å; F410-F456 HydrophobicContact CZ-CD1 4.07Å; F410-F456 HydrophobicContact CZ-CE1 4.47Å; T451-F456 HydrophobicContact CG2-CB 3.9Å; T451-F456 HydrophobicContact CG2-CD2 3.94Å; T451-F456 HydrophobicContact CG2-CG 4.43Å; D452-F456 WeakPolarHBondContact O-CB 3.47Å; D452-F456 PolarHBondContact O-N 3.18Å; P453-F456 PolarHBondContact O-N 3Å; F456-Y458 PolarHBondContact O-N 3.25Å; F456-Y458 VanDerWaalsContact O-N 3.17Å; F456-E459 PolarHBondContact O-N 2.82Å; F456-E459 VanDerWaalsContact O-N 3.08Å; F456-F460 HydrophobicContact CD1-CB 3.81Å; F456-F460 HydrophobicContact CD1-CD2 4.17Å; F456-F460 HydrophobicContact CD1-CG 4.29Å; F456-F460 AromaticContact CD2-CD2 3.77Å; F456-F460 HydrophobicContact CD2-CD2 3.77Å; F456-F460 HydrophobicContact CD2-CE2 4.25Å; F456-F460 HydrophobicContact CE1-CB 3.33Å; F456-F460 HydrophobicContact CE1-CD1 4.48Å; F456-F460 AromaticContact CE1-CD2 3.8Å; F456-F460 HydrophobicContact CE1-CD2 3.8Å; F456-F460 AromaticContact CE1-CG 3.63Å; F456-F460 HydrophobicContact CE1-CG 3.63Å; F456-F460 HydrophobicContact CE2-CB 4.5Å; F456-F460 AromaticContact CE2-CD2 3.37Å; F456-F460 HydrophobicContact CE2-CD2 3.37Å; F456-F460 AromaticContact CE2-CE2 3.68Å; F456-F460 HydrophobicContact CE2-CE2 3.68Å; F456-F460 AromaticContact CE2-CG 3.96Å; F456-F460 HydrophobicContact CE2-CG 3.96Å; F456-F460 HydrophobicContact CE2-CZ 4.47Å; F456-F460 HydrophobicContact CG-CD2 4.16Å; F456-F460 HydrophobicContact CZ-CB 3.74Å; F456-F460 HydrophobicContact CZ-CD1 4.06Å; F456-F460 AromaticContact CZ-CD2 3.38Å; F456-F460 HydrophobicContact CZ-CD2 3.38Å; F456-F460 AromaticContact CZ-CE2 3.99Å; F456-F460 HydrophobicContact CZ-CE2 3.99Å; F456-F460 AromaticContact CZ-CG 3.44Å; F456-F460 HydrophobicContact CZ-CG 3.44Å; F456-F460 VanDerWaalsContact CZ-CG 3.44Å; F456-F460 PolarHBondContact O-N 3.16Å
457I98.1Very high97.3Very high12 Ų1229.6 Ų29.66%0.06215%0.15CC..THydrogen-bonded Turntrans-62.4-20.6179.2-165.360.8000113.1P453 E455 E459 F460 F461 Q468 L470 V474 F479 L482P453-I457 WeakPolarHBondContact O-CB 3.27Å; P453-I457 WeakPolarHBondContact O-CG2 3.35Å; P453-I457 PolarHBondContact O-N 2.98Å; E455-I457 VanDerWaalsContact C-N 3.3Å; E455-I457 PolarHBondContact O-N 3.44Å; I457-E459 PolarHBondContact O-N 2.97Å; I457-F460 WeakPolarHBondContact CD1-O 3.49Å; I457-F461 HydrophobicContact CD1-CD2 4.22Å; I457-Q468 HydrophobicContact CD1-CG 4.25Å; I457-L470 HydrophobicContact CB-CD1 4.09Å; I457-L470 HydrophobicContact CD1-CD1 4.34Å; I457-L470 HydrophobicContact CG1-CD1 3.88Å; I457-L470 HydrophobicContact CG2-CD1 4.25Å; I457-V474 HydrophobicContact CD1-CG1 4.24Å; I457-V474 HydrophobicContact CG1-CG1 4.11Å; I457-F479 WeakPolarHBondContact O-CD2 3.35Å; I457-F479 WeakPolarHBondContact O-CE2 3.22Å; I457-L482 HydrophobicContact CG1-CD1 4.43Å; I457-L482 HydrophobicContact CG2-CD1 4.29Å
458Y97.9Very high97.6Very high51 Ų5129.1 Ų29.120%0.215%0.148CC..THydrogen-bonded Turntrans-65.9-30.6175.2-82.8-97.4000112.5K380 E454 E455 F456 L482 P483 V485 F490 F496K380-Y458 VanDerWaalsContact CD-O 3.27Å; K380-Y458 WeakPolarHBondContact CD-O 3.39Å; K380-Y458 WeakPolarHBondContact CE-O 3.42Å; K380-Y458 PolarHBondContact NZ-O 3.15Å; E454-Y458 WeakPolarHBondContact O-CD2 2.99Å; E454-Y458 WeakPolarHBondContact O-CE2 3.18Å; E455-Y458 WeakPolarHBondContact O-CB 3.27Å; E455-Y458 PolarHBondContact O-N 2.85Å; E455-Y458 VanDerWaalsContact O-N 3.15Å; F456-Y458 PolarHBondContact O-N 3.25Å; F456-Y458 VanDerWaalsContact O-N 3.17Å; Y458-L482 HydrophobicContact CD1-CB 4.24Å; Y458-L482 HydrophobicContact CE1-CB 4.46Å; Y458-L482 HydrophobicContact CE1-CD2 4.15Å; Y458-L482 HydrophobicContact CG-CD1 4.48Å; Y458-P483 HydrophobicContact CE1-CB 4.47Å; Y458-P483 HydrophobicContact CE1-CG 4.48Å; Y458-V485 VanDerWaalsContact CB-CG2 3.41Å; Y458-V485 HydrophobicContact CD1-CG1 4.33Å; Y458-V485 HydrophobicContact CD1-CG2 3.54Å; Y458-V485 HydrophobicContact CE1-CG2 4.46Å; Y458-V485 HydrophobicContact CG-CG2 3.62Å; Y458-F490 AromaticContact CD2-CZ 3.92Å; Y458-F490 HydrophobicContact CD2-CZ 3.92Å; Y458-F490 HydrophobicContact CE2-CZ 4.48Å; Y458-F490 HydrophobicContact CG-CZ 4.14Å; Y458-F496 HydrophobicContact CE1-CE2 4.41Å
459E97Very high97.7Very high0 Ų029.1 Ų29.10%015%0.148CC..THydrogen-bonded Turntrans-108.3-27.8-176.2-68.5-16911200113.2S379 K380 W415 H447 Y448 F456 I457S379-E459 CarbonylContact C-O 3.44Å; S379-E459 WeakPolarHBondContact CA-O 3.42Å; S379-E459 WeakPolarHBondContact CB-O 3.47Å; K380-E459 PolarHBondContact N-O 3.25Å; W415-E459 VanDerWaalsContact CZ3-OE1 3.29Å; W415-E459 WeakPolarHBondContact CZ3-OE1 3.4Å; H447-E459 IonicContact NE2-OE2 3.39Å; Y448-E459 VanDerWaalsContact CE1-OE2 3.24Å; Y448-E459 WeakPolarHBondContact CE1-OE2 3.38Å; Y448-E459 PolarHBondContact OH-OE1 3.34Å; Y448-E459 PolarHBondContact OH-OE2 2.55Å; F456-E459 PolarHBondContact O-N 2.82Å; F456-E459 VanDerWaalsContact O-N 3.08Å; I457-E459 PolarHBondContact O-N 2.97Å
460F98.2Very high97.8Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-132.1127.7-171.1-60.1-90.4000113Y378 W399 Q412 W415 Y448 F456 I457Y378-F460 WeakPolarHBondContact O-CA 3.37Å; W399-F460 HydrophobicContact CD2-CD1 4.17Å; W399-F460 AromaticContact CE3-CD1 3.75Å; W399-F460 HydrophobicContact CE3-CD1 3.75Å; W399-F460 HydrophobicContact CE3-CE1 4.47Å; W399-F460 HydrophobicContact CH2-CB 3.96Å; W399-F460 HydrophobicContact CH2-CD1 4.41Å; W399-F460 HydrophobicContact CZ2-CB 3.98Å; W399-F460 HydrophobicContact CZ3-CB 4.31Å; W399-F460 AromaticContact CZ3-CD1 3.89Å; W399-F460 HydrophobicContact CZ3-CD1 3.89Å; Q412-F460 HydrophobicContact CG-CE1 3.94Å; Q412-F460 HydrophobicContact CG-CZ 3.77Å; W415-F460 AromaticContact CD2-CZ 3.86Å; W415-F460 HydrophobicContact CD2-CZ 3.86Å; W415-F460 AromaticContact CE2-CZ 3.58Å; W415-F460 HydrophobicContact CE3-CZ 4.49Å; W415-F460 HydrophobicContact CG-CZ 4.08Å; W415-F460 HydrophobicContact CZ2-CE1 4.28Å; W415-F460 AromaticContact CZ2-CZ 3.95Å; W415-F460 HydrophobicContact CZ2-CZ 3.95Å; W415-F460 AromaticContact NE1-CE1 3.78Å; W415-F460 AromaticContact NE1-CZ 3.66Å; Y448-F460 HydrophobicContact CD1-CE2 4.34Å; Y448-F460 AromaticContact CE1-CE2 3.95Å; Y448-F460 HydrophobicContact CE1-CE2 3.95Å; Y448-F460 HydrophobicContact CE1-CZ 4.35Å; F456-F460 HydrophobicContact CD1-CB 3.81Å; F456-F460 HydrophobicContact CD1-CD2 4.17Å; F456-F460 HydrophobicContact CD1-CG 4.29Å; F456-F460 AromaticContact CD2-CD2 3.77Å; F456-F460 HydrophobicContact CD2-CD2 3.77Å; F456-F460 HydrophobicContact CD2-CE2 4.25Å; F456-F460 HydrophobicContact CE1-CB 3.33Å; F456-F460 HydrophobicContact CE1-CD1 4.48Å; F456-F460 AromaticContact CE1-CD2 3.8Å; F456-F460 HydrophobicContact CE1-CD2 3.8Å; F456-F460 AromaticContact CE1-CG 3.63Å; F456-F460 HydrophobicContact CE1-CG 3.63Å; F456-F460 HydrophobicContact CE2-CB 4.5Å; F456-F460 AromaticContact CE2-CD2 3.37Å; F456-F460 HydrophobicContact CE2-CD2 3.37Å; F456-F460 AromaticContact CE2-CE2 3.68Å; F456-F460 HydrophobicContact CE2-CE2 3.68Å; F456-F460 AromaticContact CE2-CG 3.96Å; F456-F460 HydrophobicContact CE2-CG 3.96Å; F456-F460 HydrophobicContact CE2-CZ 4.47Å; F456-F460 HydrophobicContact CG-CD2 4.16Å; F456-F460 HydrophobicContact CZ-CB 3.74Å; F456-F460 HydrophobicContact CZ-CD1 4.06Å; F456-F460 AromaticContact CZ-CD2 3.38Å; F456-F460 HydrophobicContact CZ-CD2 3.38Å; F456-F460 AromaticContact CZ-CE2 3.99Å; F456-F460 HydrophobicContact CZ-CE2 3.99Å; F456-F460 AromaticContact CZ-CG 3.44Å; F456-F460 HydrophobicContact CZ-CG 3.44Å; F456-F460 VanDerWaalsContact CZ-CG 3.44Å; F456-F460 PolarHBondContact O-N 3.16Å; I457-F460 WeakPolarHBondContact CD1-O 3.49Å
461F98.3Very high97.9Very high22 Ų2238.2 Ų38.210%0.09619%0.189CC..EExtended strand (participates in β ladder)trans-116.8105177.4-176.4-93.8000111.2G377 Y378 I457 V474 L476 F479G377-F461 CarbonylContact C-O 3.55Å; G377-F461 WeakPolarHBondContact CA-O 3.26Å; Y378-F461 HydrophobicContact CD2-CD1 4.29Å; Y378-F461 PolarHBondContact N-O 3.31Å; Y378-F461 PolarHBondContact O-N 3.28Å; I457-F461 HydrophobicContact CD1-CD2 4.22Å; F461-V474 HydrophobicContact CD2-CG1 4.4Å; F461-V474 HydrophobicContact CE2-CG1 4.2Å; F461-L476 HydrophobicContact CD1-CD1 3.77Å; F461-L476 HydrophobicContact CE1-CB 4.13Å; F461-L476 HydrophobicContact CE1-CD1 3.84Å; F461-L476 HydrophobicContact CG-CD1 4.21Å; F461-L476 HydrophobicContact CZ-CB 3.97Å; F461-L476 HydrophobicContact CZ-CD1 4.33Å; F461-F479 HydrophobicContact CB-CB 4.47Å; F461-F479 HydrophobicContact CB-CD1 3.5Å; F461-F479 HydrophobicContact CB-CD2 3.92Å; F461-F479 HydrophobicContact CB-CE1 3.49Å; F461-F479 VanDerWaalsContact CB-CE1 3.49Å; F461-F479 HydrophobicContact CB-CE2 3.95Å; F461-F479 HydrophobicContact CB-CG 3.7Å; F461-F479 HydrophobicContact CB-CZ 3.72Å; F461-F479 HydrophobicContact CD2-CB 3.64Å; F461-F479 HydrophobicContact CD2-CD1 4.18Å; F461-F479 HydrophobicContact CD2-CD2 4.37Å; F461-F479 AromaticContact CD2-CG 3.82Å; F461-F479 HydrophobicContact CD2-CG 3.82Å; F461-F479 HydrophobicContact CE2-CB 4.22Å; F461-F479 HydrophobicContact CG-CB 4.28Å; F461-F479 AromaticContact CG-CD1 3.94Å; F461-F479 HydrophobicContact CG-CD1 3.94Å; F461-F479 HydrophobicContact CG-CE1 4.38Å; F461-F479 HydrophobicContact CG-CG 4.02Å
462P98.4Very high97.9Very high1 Ų145.9 Ų45.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-60.6141.7176.3-16.323.6000112.9I375 W399 Q464 W467 Q468I375-P462 HydrophobicContact CG2-CB 3.82Å; I375-P462 HydrophobicContact CG2-CG 4.38Å; W399-P462 HydrophobicContact CZ2-CB 4.13Å; W399-P462 HydrophobicContact CZ2-CG 3.86Å; P462-Q464 VanDerWaalsContact C-N 3.25Å; P462-Q464 WeakPolarHBondContact CB-O 3.47Å; P462-Q464 PolarHBondContact O-N 3.41Å; P462-W467 HydrophobicContact CB-CB 3.88Å; P462-W467 VanDerWaalsContact CG-C 3.48Å; P462-W467 HydrophobicContact CG-CB 4.24Å; P462-W467 VanDerWaalsContact CG-O 3.23Å; P462-W467 WeakPolarHBondContact CG-O 3.16Å; P462-Q468 HydrophobicContact CG-CG 3.94Å
463S97.3Very high97.9Very high80 Ų8050.7 Ų50.756%0.55924%0.238SC*.SBendtrans-65.9-29.1172.5-63.60000113.1K376 G377K376-S463 WeakPolarHBondContact O-CB 3.38Å; K376-S463 PolarHBondContact O-N 3.23Å; K376-S463 PolarHBondContact O-OG 2.71Å; G377-S463 WeakPolarHBondContact CA-OG 3.2Å
464Q98.1Very high97.9Very high105 Ų10551.4 Ų51.449%0.49124%0.242SC..SBendtrans-99.9114.6176.4-83.9178.7-11.700109.2P462 E466 W467P462-Q464 VanDerWaalsContact C-N 3.25Å; P462-Q464 WeakPolarHBondContact CB-O 3.47Å; P462-Q464 PolarHBondContact O-N 3.41Å; Q464-E466 PolarHBondContact O-N 3.48Å; Q464-E466 VanDerWaalsContact O-N 3.14Å; Q464-W467 PolarHBondContact O-N 3.25Å
465P98.4Very high98Very high64 Ų6450.5 Ų50.542%0.41624%0.243SC..G310 helixtrans-58-29.3-172.2-27.435.4000115.2W467 Q468 K473P465-W467 VanDerWaalsContact C-N 3.27Å; P465-W467 PolarHBondContact O-N 2.87Å; P465-Q468 WeakPolarHBondContact O-CB 3.12Å; P465-Q468 WeakPolarHBondContact O-CG 3.43Å; P465-Q468 PolarHBondContact O-N 3.43Å; P465-K473 HydrophobicContact CB-CD 3.89Å; P465-K473 WeakPolarHBondContact O-CE 3.43Å
466E98.2Very high98Very high70 Ų7050.6 Ų50.633%0.32725%0.245SC..G310 helixtrans-63.4-30.3175.562.1-86.2-158.900113.4P264 Q464 Q468 L469P264-E466 HydrophobicContact CB-CB 4.4Å; P264-E466 HydrophobicContact CB-CG 4.41Å; P264-E466 HydrophobicContact CG-CB 3.8Å; P264-E466 HydrophobicContact CG-CG 3.6Å; Q464-E466 PolarHBondContact O-N 3.48Å; Q464-E466 VanDerWaalsContact O-N 3.14Å; E466-Q468 PolarHBondContact O-N 3.07Å; E466-L469 PolarHBondContact O-N 3.12Å
467W98.6Very high97.9Very high29 Ų2954.7 Ų54.711%0.1126%0.264CS..G310 helixtrans-805.4176.9-75.3112.1000113.8P264 V373 I375 A401 W408 F410 P462 Q464 P465 L469P264-W467 HydrophobicContact CB-CD2 3.97Å; P264-W467 HydrophobicContact CB-CE3 3.86Å; P264-W467 HydrophobicContact CB-CH2 3.92Å; P264-W467 HydrophobicContact CB-CZ2 4.05Å; P264-W467 HydrophobicContact CB-CZ3 3.83Å; P264-W467 HydrophobicContact CG-CZ2 4.35Å; V373-W467 HydrophobicContact CB-CH2 4.07Å; V373-W467 HydrophobicContact CB-CZ2 4.13Å; V373-W467 HydrophobicContact CG1-CH2 3.84Å; V373-W467 HydrophobicContact CG1-CZ2 3.93Å; V373-W467 HydrophobicContact CG2-CE3 4.14Å; V373-W467 HydrophobicContact CG2-CH2 3.31Å; V373-W467 HydrophobicContact CG2-CZ2 3.71Å; V373-W467 HydrophobicContact CG2-CZ3 3.54Å; I375-W467 HydrophobicContact CD1-CB 4.04Å; I375-W467 HydrophobicContact CD1-CD2 3.85Å; I375-W467 HydrophobicContact CD1-CE3 3.58Å; I375-W467 HydrophobicContact CD1-CG 4.07Å; I375-W467 HydrophobicContact CD1-CZ3 4.37Å; I375-W467 HydrophobicContact CG1-CB 4.26Å; I375-W467 HydrophobicContact CG1-CD2 3.96Å; I375-W467 HydrophobicContact CG1-CE3 4.14Å; I375-W467 HydrophobicContact CG1-CG 4.01Å; I375-W467 HydrophobicContact CG2-CB 4.05Å; I375-W467 HydrophobicContact CG2-CG 4.47Å; A401-W467 HydrophobicContact CB-CE3 4.24Å; A401-W467 HydrophobicContact CB-CZ3 3.95Å; W408-W467 HydrophobicContact CD2-CH2 4.02Å; W408-W467 AromaticContact CD2-CZ3 3.89Å; W408-W467 HydrophobicContact CD2-CZ3 3.89Å; W408-W467 AromaticContact CE2-CH2 3.93Å; W408-W467 HydrophobicContact CE3-CH2 4.25Å; W408-W467 HydrophobicContact CE3-CZ3 4.13Å; W408-W467 HydrophobicContact CG-CZ3 4.08Å; W408-W467 HydrophobicContact CH2-CH2 4.35Å; W408-W467 HydrophobicContact CZ2-CH2 4.11Å; W408-W467 HydrophobicContact CZ3-CH2 4.42Å; F410-W467 WeakPolarHBondContact CE1-O 3.42Å; F410-W467 WeakPolarHBondContact CZ-O 3.34Å; P462-W467 HydrophobicContact CB-CB 3.88Å; P462-W467 VanDerWaalsContact CG-C 3.48Å; P462-W467 HydrophobicContact CG-CB 4.24Å; P462-W467 VanDerWaalsContact CG-O 3.23Å; P462-W467 WeakPolarHBondContact CG-O 3.16Å; Q464-W467 PolarHBondContact O-N 3.25Å; P465-W467 VanDerWaalsContact C-N 3.27Å; P465-W467 PolarHBondContact O-N 2.87Å; W467-L469 HydrophobicContact CE3-CD2 4.16Å; W467-L469 HydrophobicContact CZ3-CD2 4.42Å
468Q98.7Very high97.9Very high4 Ų457 Ų572%0.01928%0.275CS..G310 helixtrans-68.9-25.2164.2-66.5178.413.400110.8I457 P462 P465 E466 L470 V474I457-Q468 HydrophobicContact CD1-CG 4.25Å; P462-Q468 HydrophobicContact CG-CG 3.94Å; P465-Q468 WeakPolarHBondContact O-CB 3.12Å; P465-Q468 WeakPolarHBondContact O-CG 3.43Å; P465-Q468 PolarHBondContact O-N 3.43Å; E466-Q468 PolarHBondContact O-N 3.07Å; Q468-L470 HydrophobicContact CB-CB 4.35Å; Q468-L470 HydrophobicContact CB-CD1 4.24Å; Q468-L470 HydrophobicContact CB-CG 4.27Å; Q468-L470 PolarHBondContact O-N 2.63Å; Q468-V474 PolarHBondContact NE2-O 3.2Å; Q468-V474 PolarHBondContact OE1-O 2.98Å
469L98.4Very high97.9Very high2 Ų254.5 Ų54.51%0.0127%0.265CS..  trans53.922-175.6-53179.6000113.1P264 P266 W408 F410 P453 E466 W467P264-L469 HydrophobicContact CB-CD2 3.89Å; P266-L469 WeakPolarHBondContact CA-O 3.35Å; P266-L469 WeakPolarHBondContact CB-O 3.45Å; W408-L469 HydrophobicContact CB-CD1 3.63Å; W408-L469 HydrophobicContact CB-CD2 4.16Å; F410-L469 HydrophobicContact CD1-CD1 4.49Å; F410-L469 HydrophobicContact CE1-CD1 3.87Å; F410-L469 HydrophobicContact CE1-CG 4.28Å; F410-L469 HydrophobicContact CE2-CB 4.3Å; F410-L469 HydrophobicContact CE2-CD1 4Å; F410-L469 HydrophobicContact CE2-CG 4.35Å; F410-L469 HydrophobicContact CZ-CB 4.08Å; F410-L469 HydrophobicContact CZ-CD1 3.6Å; F410-L469 HydrophobicContact CZ-CG 3.75Å; P453-L469 HydrophobicContact CB-CB 4.26Å; P453-L469 HydrophobicContact CG-CB 3.81Å; E466-L469 PolarHBondContact O-N 3.12Å; W467-L469 HydrophobicContact CE3-CD2 4.16Å; W467-L469 HydrophobicContact CZ3-CD2 4.42Å
470L98.2Very high97.9Very high20 Ų2055.1 Ų55.111%0.10527%0.268CS..  trans-92.4143.8175-70170.9000110.4P453 E454 I457 Q468 R472P453-L470 HydrophobicContact CB-CD2 3.75Å; P453-L470 HydrophobicContact CB-CG 4.18Å; E454-L470 HydrophobicContact CG-CD2 3.95Å; I457-L470 HydrophobicContact CB-CD1 4.09Å; I457-L470 HydrophobicContact CD1-CD1 4.34Å; I457-L470 HydrophobicContact CG1-CD1 3.88Å; I457-L470 HydrophobicContact CG2-CD1 4.25Å; Q468-L470 HydrophobicContact CB-CB 4.35Å; Q468-L470 HydrophobicContact CB-CD1 4.24Å; Q468-L470 HydrophobicContact CB-CG 4.27Å; Q468-L470 PolarHBondContact O-N 2.63Å; L470-R472 VanDerWaalsContact C-N 3.34Å; L470-R472 WeakPolarHBondContact CB-O 3.17Å
471K96.8Very high97.9Very high173 Ų17357 Ų5775%0.75228%0.278SS*.SBendtrans-60.9-44.9171-66.5177.7-177.9172.20111.3P266P266-K471 HydrophobicContact CB-CG 4.12Å; P266-K471 HydrophobicContact CG-CG 4.2Å
472R97.1Very high97.9Very high162 Ų16257.4 Ų57.461%0.61128%0.281SS*.SBendtrans-107.2111.3169.8-172.8-170.378.186.7-11.1108.6L470 E478L470-R472 VanDerWaalsContact C-N 3.34Å; L470-R472 WeakPolarHBondContact CB-O 3.17Å; R472-E478 IonicContact CZ-OE1 3.5Å; R472-E478 IonicContact NH1-OE1 2.69Å; R472-E478 PolarHBondContact NH1-OE1 3.3Å; R472-E478 IonicContact NH1-OE2 3.76Å; R472-E478 IonicContact NH2-OE1 2.84Å; R472-E478 PolarHBondContact NH2-OE1 3.24Å
473K98.2Very high97.9Very high112 Ų11257.5 Ų57.549%0.48728%0.282SS..PPolyproline II helixtrans-66.3140.5175.7-66.9166.7-177.6167.40110.2P465P465-K473 HydrophobicContact CB-CD 3.89Å; P465-K473 WeakPolarHBondContact O-CE 3.43Å
474V97.8Very high97.9Very high17 Ų1753.9 Ų53.910%0.10326%0.256CS..PPolyproline II helixtrans-95.9142.5175.2125.50000109.2I457 F461 Q468 E478 F479I457-V474 HydrophobicContact CD1-CG1 4.24Å; I457-V474 HydrophobicContact CG1-CG1 4.11Å; F461-V474 HydrophobicContact CD2-CG1 4.4Å; F461-V474 HydrophobicContact CE2-CG1 4.2Å; Q468-V474 PolarHBondContact NE2-O 3.2Å; Q468-V474 PolarHBondContact OE1-O 2.98Å; V474-E478 HydrophobicContact CB-CB 4.41Å; V474-E478 HydrophobicContact CG1-CB 4.13Å; V474-E478 HydrophobicContact CG2-CB 3.8Å; V474-E478 HydrophobicContact CG2-CG 4.48Å; V474-F479 HydrophobicContact CG1-CB 3.97Å
475T98Very high97.9Very high78 Ų7848.9 Ų48.948%0.47923%0.233SC..PPolyproline II helixtrans-79.4163.2173.261.30000111.1Q477 E478 F479T475-Q477 PolarHBondContact O-N 2.95Å; T475-E478 WeakPolarHBondContact CB-OE2 3.2Å; T475-E478 WeakPolarHBondContact CG2-OE2 3.5Å; T475-E478 PolarHBondContact N-OE2 3.2Å; T475-E478 PolarHBondContact O-N 2.8Å; T475-E478 WeakPolarHBondContact OG1-CG 3.11Å; T475-E478 PolarHBondContact OG1-N 3.03Å; T475-E478 PolarHBondContact OG1-OE2 3.19Å; T475-F479 PolarHBondContact O-N 3.46Å
476L97.3Very high97.6Very high58 Ų5849.8 Ų49.830%0.30423%0.228SC..Hα-helixtrans-59.1-38.6176.2-17961.9000111.9Y378 F390 F461 F479 E480Y378-L476 HydrophobicContact CD2-CD1 4.14Å; F390-L476 HydrophobicContact CB-CD1 4.21Å; F390-L476 HydrophobicContact CD2-CD1 4.25Å; F390-L476 HydrophobicContact CG-CD1 4.49Å; F461-L476 HydrophobicContact CD1-CD1 3.77Å; F461-L476 HydrophobicContact CE1-CB 4.13Å; F461-L476 HydrophobicContact CE1-CD1 3.84Å; F461-L476 HydrophobicContact CG-CD1 4.21Å; F461-L476 HydrophobicContact CZ-CB 3.97Å; F461-L476 HydrophobicContact CZ-CD1 4.33Å; L476-F479 HydrophobicContact CD1-CD1 4.13Å; L476-F479 WeakPolarHBondContact O-CB 3.34Å; L476-F479 PolarHBondContact O-N 3.39Å; L476-E480 WeakPolarHBondContact O-CG 3.49Å; L476-E480 PolarHBondContact O-N 3.39Å
477Q97.1Very high97.4Very high88 Ų8846.6 Ų46.641%0.41121%0.213SC..Hα-helixtrans-63.8-46.117717955.953.500111.3T475 F479 E480 D481T475-Q477 PolarHBondContact O-N 2.95Å; Q477-F479 VanDerWaalsContact C-N 3.29Å; Q477-F479 PolarHBondContact O-N 3.22Å; Q477-E480 WeakPolarHBondContact O-CB 3.09Å; Q477-E480 PolarHBondContact O-N 3.22Å; Q477-E480 PolarHBondContact OE1-OE2 2.99Å; Q477-D481 PolarHBondContact NE2-OD1 3.38Å; Q477-D481 PolarHBondContact NE2-OD2 2.86Å; Q477-D481 PolarHBondContact O-N 3.41Å
478E97.8Very high97.1Very high60 Ų6046.6 Ų46.628%0.2822%0.215SC..Hα-helixtrans-60.6-38.5174.5-73.1168.1110.600112R472 V474 T475 D481 L482R472-E478 IonicContact CZ-OE1 3.5Å; R472-E478 IonicContact NH1-OE1 2.69Å; R472-E478 PolarHBondContact NH1-OE1 3.3Å; R472-E478 IonicContact NH1-OE2 3.76Å; R472-E478 IonicContact NH2-OE1 2.84Å; R472-E478 PolarHBondContact NH2-OE1 3.24Å; V474-E478 HydrophobicContact CB-CB 4.41Å; V474-E478 HydrophobicContact CG1-CB 4.13Å; V474-E478 HydrophobicContact CG2-CB 3.8Å; V474-E478 HydrophobicContact CG2-CG 4.48Å; T475-E478 WeakPolarHBondContact CB-OE2 3.2Å; T475-E478 WeakPolarHBondContact CG2-OE2 3.5Å; T475-E478 PolarHBondContact N-OE2 3.2Å; T475-E478 PolarHBondContact O-N 2.8Å; T475-E478 WeakPolarHBondContact OG1-CG 3.11Å; T475-E478 PolarHBondContact OG1-N 3.03Å; T475-E478 PolarHBondContact OG1-OE2 3.19Å; E478-D481 PolarHBondContact O-N 3.35Å; E478-L482 WeakPolarHBondContact O-CG 3.48Å; E478-L482 PolarHBondContact O-N 3.42Å
479F98Very high97Very high0 Ų046.7 Ų46.70%022%0.215CC..Hα-helixtrans-63.2-40.1175.5168.9-110.4000113.1K380 F390 I457 F461 V474 T475 L476 Q477 D481 L482K380-F479 HydrophobicContact CD-CZ 4.38Å; K380-F479 WeakPolarHBondContact CE-O 3.46Å; K380-F479 HydrophobicContact CG-CE2 4.44Å; K380-F479 HydrophobicContact CG-CZ 3.88Å; K380-F479 PolarHBondContact NZ-O 3.11Å; F390-F479 HydrophobicContact CD2-CD1 4.15Å; F390-F479 AromaticContact CD2-CE1 3.97Å; F390-F479 HydrophobicContact CD2-CE1 3.97Å; F390-F479 HydrophobicContact CE1-CE1 4.27Å; F390-F479 AromaticContact CE2-CD1 3.74Å; F390-F479 HydrophobicContact CE2-CD1 3.74Å; F390-F479 AromaticContact CE2-CE1 3.28Å; F390-F479 HydrophobicContact CE2-CE1 3.28Å; F390-F479 HydrophobicContact CE2-CZ 4.28Å; F390-F479 HydrophobicContact CZ-CD1 4.37Å; F390-F479 AromaticContact CZ-CE1 3.46Å; F390-F479 HydrophobicContact CZ-CE1 3.46Å; F390-F479 VanDerWaalsContact CZ-CE1 3.46Å; F390-F479 HydrophobicContact CZ-CZ 4.13Å; I457-F479 WeakPolarHBondContact O-CD2 3.35Å; I457-F479 WeakPolarHBondContact O-CE2 3.22Å; F461-F479 HydrophobicContact CB-CB 4.47Å; F461-F479 HydrophobicContact CB-CD1 3.5Å; F461-F479 HydrophobicContact CB-CD2 3.92Å; F461-F479 HydrophobicContact CB-CE1 3.49Å; F461-F479 VanDerWaalsContact CB-CE1 3.49Å; F461-F479 HydrophobicContact CB-CE2 3.95Å; F461-F479 HydrophobicContact CB-CG 3.7Å; F461-F479 HydrophobicContact CB-CZ 3.72Å; F461-F479 HydrophobicContact CD2-CB 3.64Å; F461-F479 HydrophobicContact CD2-CD1 4.18Å; F461-F479 HydrophobicContact CD2-CD2 4.37Å; F461-F479 AromaticContact CD2-CG 3.82Å; F461-F479 HydrophobicContact CD2-CG 3.82Å; F461-F479 HydrophobicContact CE2-CB 4.22Å; F461-F479 HydrophobicContact CG-CB 4.28Å; F461-F479 AromaticContact CG-CD1 3.94Å; F461-F479 HydrophobicContact CG-CD1 3.94Å; F461-F479 HydrophobicContact CG-CE1 4.38Å; F461-F479 HydrophobicContact CG-CG 4.02Å; V474-F479 HydrophobicContact CG1-CB 3.97Å; T475-F479 PolarHBondContact O-N 3.46Å; L476-F479 HydrophobicContact CD1-CD1 4.13Å; L476-F479 WeakPolarHBondContact O-CB 3.34Å; L476-F479 PolarHBondContact O-N 3.39Å; Q477-F479 VanDerWaalsContact C-N 3.29Å; Q477-F479 PolarHBondContact O-N 3.22Å; F479-D481 VanDerWaalsContact C-N 3.28Å; F479-L482 HydrophobicContact CD2-CD1 4.42Å; F479-L482 WeakPolarHBondContact O-CB 3.27Å; F479-L482 PolarHBondContact O-N 3.17Å
480E97.6Very high96.8Very high12 Ų1248 Ų486%0.05622%0.221CC..Hα-helixtrans-64.6-34.4173.9-72171.4162.100112.1K389 F390 L476 Q477K389-E480 WeakPolarHBondContact CA-OE1 3.4Å; K389-E480 VanDerWaalsContact CD-CD 3.42Å; K389-E480 HydrophobicContact CD-CG 4.43Å; K389-E480 WeakPolarHBondContact CD-OE2 3.22Å; K389-E480 WeakPolarHBondContact CE-OE2 3.31Å; K389-E480 IonicContact NZ-OE2 3.44Å; K389-E480 PolarHBondContact NZ-OE2 2.88Å; F390-E480 HydrophobicContact CD2-CG 3.64Å; F390-E480 HydrophobicContact CE2-CG 4.01Å; F390-E480 PolarHBondContact N-OE1 2.88Å; L476-E480 WeakPolarHBondContact O-CG 3.49Å; L476-E480 PolarHBondContact O-N 3.39Å; Q477-E480 WeakPolarHBondContact O-CB 3.09Å; Q477-E480 PolarHBondContact O-N 3.22Å; Q477-E480 PolarHBondContact OE1-OE2 2.99Å
481D97.9Very high96.5Very high39 Ų3952.8 Ų52.821%0.20924%0.243CC..Hα-helixtrans-79.4-16.2178.7-62.7-25.1000112.8Q477 E478 F479 Q502 A503Q477-D481 PolarHBondContact NE2-OD1 3.38Å; Q477-D481 PolarHBondContact NE2-OD2 2.86Å; Q477-D481 PolarHBondContact O-N 3.41Å; E478-D481 PolarHBondContact O-N 3.35Å; F479-D481 VanDerWaalsContact C-N 3.28Å; D481-Q502 HydrophobicContact CB-CG 4.42Å; D481-Q502 CarbonylContact O-C 3.58Å; D481-Q502 WeakPolarHBondContact O-CA 3.31Å; D481-Q502 WeakPolarHBondContact O-CB 3.39Å; D481-A503 PolarHBondContact O-N 3.39Å
482L98Very high96.3Very high32 Ų3245.9 Ų45.917%0.16821%0.212CC..SBendtrans-64136.4175.7-74.4176.9000111.5K380 I457 Y458 E478 F479 A503K380-L482 PolarHBondContact NZ-O 3Å; I457-L482 HydrophobicContact CG1-CD1 4.43Å; I457-L482 HydrophobicContact CG2-CD1 4.29Å; Y458-L482 HydrophobicContact CD1-CB 4.24Å; Y458-L482 HydrophobicContact CE1-CB 4.46Å; Y458-L482 HydrophobicContact CE1-CD2 4.15Å; Y458-L482 HydrophobicContact CG-CD1 4.48Å; E478-L482 WeakPolarHBondContact O-CG 3.48Å; E478-L482 PolarHBondContact O-N 3.42Å; F479-L482 HydrophobicContact CD2-CD1 4.42Å; F479-L482 WeakPolarHBondContact O-CB 3.27Å; F479-L482 PolarHBondContact O-N 3.17Å; L482-A503 WeakPolarHBondContact O-CB 3.45Å
483P97.6Very high96.1Very high3 Ų346.3 Ų46.32%0.01921%0.214CC..  trans-46.5143.4172-30.235.9000112.8Y458 V485 F496 I501 F601Y458-P483 HydrophobicContact CE1-CB 4.47Å; Y458-P483 HydrophobicContact CE1-CG 4.48Å; P483-V485 HydrophobicContact CB-CG1 4.43Å; P483-V485 PolarHBondContact O-N 3.19Å; P483-F496 HydrophobicContact CB-CE2 3.61Å; P483-F496 HydrophobicContact CB-CZ 3.68Å; P483-F496 HydrophobicContact CG-CD2 4.21Å; P483-F496 HydrophobicContact CG-CE2 3.72Å; P483-F496 HydrophobicContact CG-CZ 4.17Å; P483-I501 VanDerWaalsContact CD-O 3.28Å; P483-I501 WeakPolarHBondContact CD-O 3.39Å; P483-I501 HydrophobicContact CG-CG2 3.87Å; P483-I501 WeakPolarHBondContact CG-O 3.41Å; P483-F601 HydrophobicContact CB-CE1 3.82Å; P483-F601 HydrophobicContact CB-CZ 3.93Å; P483-F601 HydrophobicContact CG-CE1 3.97Å; P483-F601 HydrophobicContact CG-CZ 4.32Å
484F98.1Very high96Very high3 Ų341.5 Ų41.51%0.01319%0.193CC..EExtended strand (participates in β ladder)trans-77.2114.1170.3-178.4-82.3000108K380 Y384 P386 R486 C599 K600K380-F484 HydrophobicContact CB-CD2 4.03Å; K380-F484 HydrophobicContact CB-CE2 3.89Å; K380-F484 HydrophobicContact CD-CD2 4.16Å; Y384-F484 AromaticContact CD1-CD2 3.52Å; Y384-F484 HydrophobicContact CD1-CD2 3.52Å; Y384-F484 AromaticContact CD1-CE2 3.78Å; Y384-F484 HydrophobicContact CD1-CE2 3.78Å; Y384-F484 AromaticContact CE1-CD2 3.81Å; Y384-F484 HydrophobicContact CE1-CD2 3.81Å; P386-F484 HydrophobicContact CG-CB 3.82Å; F484-R486 HydrophobicContact CE1-CG 3.85Å; F484-R486 HydrophobicContact CZ-CG 4.41Å; F484-C599 CarbonylContact O-C 3.58Å; F484-C599 WeakPolarHBondContact O-CA 3.44Å; F484-C599 WeakPolarHBondContact O-CB 3.22Å; F484-K600 HydrophobicContact CB-CB 4.11Å; F484-K600 HydrophobicContact CD1-CB 3.86Å; F484-K600 HydrophobicContact CD1-CD 4Å; F484-K600 HydrophobicContact CD1-CG 3.65Å; F484-K600 HydrophobicContact CE1-CD 4.09Å; F484-K600 HydrophobicContact CE1-CG 4.09Å; F484-K600 HydrophobicContact CG-CB 4.24Å; F484-K600 HydrophobicContact CG-CG 4.45Å; F484-K600 PolarHBondContact O-N 3.4Å
485V97.3Very high96Very high1 Ų143.5 Ų43.51%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-122.7160.7173.9-62.80000109.7Y458 P483 F489 F490 F496 V598 C599Y458-V485 VanDerWaalsContact CB-CG2 3.41Å; Y458-V485 HydrophobicContact CD1-CG1 4.33Å; Y458-V485 HydrophobicContact CD1-CG2 3.54Å; Y458-V485 HydrophobicContact CE1-CG2 4.46Å; Y458-V485 HydrophobicContact CG-CG2 3.62Å; P483-V485 HydrophobicContact CB-CG1 4.43Å; P483-V485 PolarHBondContact O-N 3.19Å; V485-F489 HydrophobicContact CB-CB 4.07Å; V485-F489 HydrophobicContact CB-CD1 4.34Å; V485-F489 HydrophobicContact CB-CG 4.1Å; V485-F489 HydrophobicContact CG1-CB 4.44Å; V485-F489 HydrophobicContact CG1-CD1 4.07Å; V485-F489 HydrophobicContact CG1-CD2 4.1Å; V485-F489 HydrophobicContact CG1-CE1 4.33Å; V485-F489 HydrophobicContact CG1-CE2 4.36Å; V485-F489 HydrophobicContact CG1-CG 3.95Å; V485-F489 HydrophobicContact CG1-CZ 4.47Å; V485-F490 HydrophobicContact CB-CE2 4.48Å; V485-F490 HydrophobicContact CG2-CE2 3.66Å; V485-F490 HydrophobicContact CG2-CZ 3.7Å; V485-F496 HydrophobicContact CG1-CE2 3.85Å; V485-F496 HydrophobicContact CG1-CZ 3.56Å; V485-V598 CarbonylContact C-O 3.53Å; V485-V598 WeakPolarHBondContact CA-O 3.38Å; V485-C599 HydrophobicContact CG1-CB 4.02Å
486R93.5Very high96Very high83 Ų8340.7 Ų40.731%0.31319%0.189SC..  trans-119.4164.9173-66.1-176.6175.8-80.3-2.1109.7F484 L488 F489 S597 V598F484-R486 HydrophobicContact CE1-CG 3.85Å; F484-R486 HydrophobicContact CZ-CG 4.41Å; R486-L488 PolarHBondContact O-N 3.26Å; R486-F489 WeakPolarHBondContact O-CB 3.1Å; R486-F489 PolarHBondContact O-N 3.24Å; R486-S597 VanDerWaalsContact CD-O 3.31Å; R486-S597 WeakPolarHBondContact CD-O 3.42Å; R486-V598 PolarHBondContact N-O 3Å
487S93.3Very high95.9Very high3 Ų340.5 Ų40.52%0.02120%0.196CC..Hα-helixtrans-44-39175.4580000114.7D445 H447 F489 F490 H491D445-S487 WeakPolarHBondContact OD2-CB 3.5Å; D445-S487 PolarHBondContact OD2-OG 3.16Å; H447-S487 VanDerWaalsContact CD2-CB 3.5Å; H447-S487 WeakPolarHBondContact CD2-CB 3.44Å; S487-F489 PolarHBondContact O-N 3.03Å; S487-F490 PolarHBondContact O-N 3.24Å; S487-F490 VanDerWaalsContact O-N 3.14Å; S487-H491 PolarHBondContact O-N 2.99Å
488L92.9Very high95.9Very high28 Ų2840.4 Ų40.415%0.14720%0.198CC..Hα-helixtrans-62.7-27178.7-71.9177000114.5R486 F490 H491 Y492 K596 V598R486-L488 PolarHBondContact O-N 3.26Å; L488-F490 VanDerWaalsContact C-N 3.33Å; L488-H491 HydrophobicContact CD2-CB 4.4Å; L488-H491 PolarHBondContact O-N 3.14Å; L488-Y492 HydrophobicContact CB-CD2 4.35Å; L488-Y492 HydrophobicContact CB-CE2 4.17Å; L488-Y492 HydrophobicContact CD2-CE2 4.38Å; L488-Y492 WeakPolarHBondContact O-CB 3.36Å; L488-Y492 WeakPolarHBondContact O-CD2 3.02Å; L488-Y492 PolarHBondContact O-N 2.95Å; L488-K596 HydrophobicContact CD1-CB 3.27Å; L488-K596 HydrophobicContact CD1-CD 3.62Å; L488-K596 HydrophobicContact CD1-CG 4.08Å; L488-V598 HydrophobicContact CB-CG1 3.9Å
489F96.4Very high95.8Very high6 Ų641.7 Ų41.73%0.02622%0.219CC..Hα-helixtrans-59.5-47.9173.8-174.2-90.7000110.5V485 R486 S487 R493 L494 F496 I517 V598 C599V485-F489 HydrophobicContact CB-CB 4.07Å; V485-F489 HydrophobicContact CB-CD1 4.34Å; V485-F489 HydrophobicContact CB-CG 4.1Å; V485-F489 HydrophobicContact CG1-CB 4.44Å; V485-F489 HydrophobicContact CG1-CD1 4.07Å; V485-F489 HydrophobicContact CG1-CD2 4.1Å; V485-F489 HydrophobicContact CG1-CE1 4.33Å; V485-F489 HydrophobicContact CG1-CE2 4.36Å; V485-F489 HydrophobicContact CG1-CG 3.95Å; V485-F489 HydrophobicContact CG1-CZ 4.47Å; R486-F489 WeakPolarHBondContact O-CB 3.1Å; R486-F489 PolarHBondContact O-N 3.24Å; S487-F489 PolarHBondContact O-N 3.03Å; F489-R493 PolarHBondContact O-N 3.16Å; F489-L494 HydrophobicContact CD1-CB 4.17Å; F489-L494 HydrophobicContact CD2-CB 3.8Å; F489-L494 HydrophobicContact CD2-CD1 3.95Å; F489-L494 HydrophobicContact CD2-CG 4.48Å; F489-L494 HydrophobicContact CE1-CB 4.06Å; F489-L494 WeakPolarHBondContact CE1-O 3.19Å; F489-L494 HydrophobicContact CE2-CB 3.68Å; F489-L494 HydrophobicContact CE2-CD1 4.36Å; F489-L494 HydrophobicContact CG-CB 4.04Å; F489-L494 HydrophobicContact CZ-CB 3.82Å; F489-L494 WeakPolarHBondContact O-CB 3.48Å; F489-L494 PolarHBondContact O-N 2.97Å; F489-F496 HydrophobicContact CD2-CZ 4.48Å; F489-F496 HydrophobicContact CE1-CE2 4.27Å; F489-F496 HydrophobicContact CE1-CZ 4.39Å; F489-F496 HydrophobicContact CE2-CD1 4.26Å; F489-F496 AromaticContact CE2-CE1 3.61Å; F489-F496 HydrophobicContact CE2-CE1 3.61Å; F489-F496 HydrophobicContact CE2-CE2 4.28Å; F489-F496 AromaticContact CE2-CZ 3.64Å; F489-F496 HydrophobicContact CE2-CZ 3.64Å; F489-F496 HydrophobicContact CZ-CD1 4.09Å; F489-F496 HydrophobicContact CZ-CD2 4.07Å; F489-F496 AromaticContact CZ-CE1 3.75Å; F489-F496 HydrophobicContact CZ-CE1 3.75Å; F489-F496 AromaticContact CZ-CE2 3.74Å; F489-F496 HydrophobicContact CZ-CE2 3.74Å; F489-F496 HydrophobicContact CZ-CG 4.24Å; F489-F496 AromaticContact CZ-CZ 3.58Å; F489-F496 HydrophobicContact CZ-CZ 3.58Å; F489-I517 HydrophobicContact CE2-CG2 4.16Å; F489-V598 HydrophobicContact CB-CB 4.4Å; F489-C599 HydrophobicContact CD2-CB 4.23Å
490F94.1Very high95.7Very high29 Ų2948.2 Ų48.213%0.12725%0.254CS..Hα-helixtrans-74-38177.7-55.9-71000112.2H447 E455 Y458 V485 S487 L488 Y492 R493H447-F490 AromaticContact CE1-CD2 3.27Å; H447-F490 WeakPolarHBondContact CE1-CD2 3.44Å; H447-F490 AromaticContact CE1-CE2 3.93Å; H447-F490 AromaticContact CE1-CG 3.81Å; H447-F490 AromaticContact ND1-CD2 3.99Å; H447-F490 AromaticContact NE2-CD2 3.78Å; E455-F490 HydrophobicContact CB-CD1 3.97Å; E455-F490 HydrophobicContact CB-CD2 4.35Å; E455-F490 HydrophobicContact CB-CE1 3.75Å; E455-F490 HydrophobicContact CB-CE2 4.13Å; E455-F490 HydrophobicContact CB-CG 4.26Å; E455-F490 HydrophobicContact CB-CZ 3.83Å; E455-F490 VanDerWaalsContact CD-CD1 3.43Å; E455-F490 HydrophobicContact CG-CD1 3.59Å; E455-F490 HydrophobicContact CG-CE1 3.63Å; E455-F490 HydrophobicContact CG-CG 4.19Å; E455-F490 HydrophobicContact CG-CZ 4.25Å; Y458-F490 AromaticContact CD2-CZ 3.92Å; Y458-F490 HydrophobicContact CD2-CZ 3.92Å; Y458-F490 HydrophobicContact CE2-CZ 4.48Å; Y458-F490 HydrophobicContact CG-CZ 4.14Å; V485-F490 HydrophobicContact CB-CE2 4.48Å; V485-F490 HydrophobicContact CG2-CE2 3.66Å; V485-F490 HydrophobicContact CG2-CZ 3.7Å; S487-F490 PolarHBondContact O-N 3.24Å; S487-F490 VanDerWaalsContact O-N 3.14Å; L488-F490 VanDerWaalsContact C-N 3.33Å; F490-Y492 VanDerWaalsContact C-N 3.3Å; F490-Y492 PolarHBondContact O-N 3.43Å; F490-R493 WeakPolarHBondContact O-CA 3.39Å; F490-R493 PolarHBondContact O-N 2.88Å
491H91.1Very high95.7Very high122 Ų12248.7 Ų48.757%0.56526%0.256SS*.Hα-helixtrans-57.3-42.8175.4-179.278.2000112.1S487 L488 R493S487-H491 PolarHBondContact O-N 2.99Å; L488-H491 HydrophobicContact CD2-CB 4.4Å; L488-H491 PolarHBondContact O-N 3.14Å; H491-R493 PolarHBondContact O-N 3.3Å
492Y92.6Very high95.7Very high28 Ų2851.6 Ų51.611%0.1127%0.269CS..THydrogen-bonded Turntrans-80.97.2174.9-63.9-42.6000113.7L488 F490 L494 C523 L527 A579 A581 V598L488-Y492 HydrophobicContact CB-CD2 4.35Å; L488-Y492 HydrophobicContact CB-CE2 4.17Å; L488-Y492 HydrophobicContact CD2-CE2 4.38Å; L488-Y492 WeakPolarHBondContact O-CB 3.36Å; L488-Y492 WeakPolarHBondContact O-CD2 3.02Å; L488-Y492 PolarHBondContact O-N 2.95Å; F490-Y492 VanDerWaalsContact C-N 3.3Å; F490-Y492 PolarHBondContact O-N 3.43Å; Y492-L494 PolarHBondContact O-N 2.85Å; Y492-C523 PolarHBondContact O-SG 2.65Å; Y492-C523 VanDerWaalsContact O-SG 3.39Å; Y492-L527 HydrophobicContact CD1-CD1 3.86Å; Y492-L527 HydrophobicContact CD2-CD1 3.94Å; Y492-L527 HydrophobicContact CE1-CD1 3.97Å; Y492-L527 HydrophobicContact CE2-CD1 4.05Å; Y492-L527 HydrophobicContact CG-CD1 3.84Å; Y492-L527 HydrophobicContact CG-CD2 4.46Å; Y492-A579 HydrophobicContact CD2-CB 4.03Å; Y492-A579 HydrophobicContact CE2-CB 3.84Å; Y492-A581 HydrophobicContact CE1-CB 4.02Å; Y492-V598 HydrophobicContact CD2-CG1 4.1Å; Y492-V598 HydrophobicContact CE2-CG1 4.22Å
493R92.8Very high95.7Very high171 Ų17150.1 Ų50.165%0.64526%0.261SS*.THydrogen-bonded Turntrans52.639-180-55.2-178.2-179.81780.3112.5F489 F490 H491F489-R493 PolarHBondContact O-N 3.16Å; F490-R493 WeakPolarHBondContact O-CA 3.39Å; F490-R493 PolarHBondContact O-N 2.88Å; H491-R493 PolarHBondContact O-N 3.3Å
494L96.8Very high95.7Very high11 Ų1152.9 Ų52.96%0.05828%0.275CS..  trans-77.7153.7178-56.6179.7000110.2F489 Y492 I517 N518 M519 L527 F529 V598F489-L494 HydrophobicContact CD1-CB 4.17Å; F489-L494 HydrophobicContact CD2-CB 3.8Å; F489-L494 HydrophobicContact CD2-CD1 3.95Å; F489-L494 HydrophobicContact CD2-CG 4.48Å; F489-L494 HydrophobicContact CE1-CB 4.06Å; F489-L494 WeakPolarHBondContact CE1-O 3.19Å; F489-L494 HydrophobicContact CE2-CB 3.68Å; F489-L494 HydrophobicContact CE2-CD1 4.36Å; F489-L494 HydrophobicContact CG-CB 4.04Å; F489-L494 HydrophobicContact CZ-CB 3.82Å; F489-L494 WeakPolarHBondContact O-CB 3.48Å; F489-L494 PolarHBondContact O-N 2.97Å; Y492-L494 PolarHBondContact O-N 2.85Å; L494-I517 HydrophobicContact CB-CG2 3.84Å; L494-I517 HydrophobicContact CD1-CG2 4.07Å; L494-I517 HydrophobicContact CD2-CG2 4.13Å; L494-I517 HydrophobicContact CG-CG2 4.22Å; L494-N518 WeakPolarHBondContact CA-O 3.34Å; L494-M519 HydrophobicContact CD2-CB 4.46Å; L494-M519 HydrophobicContact CD2-CG 3.79Å; L494-L527 HydrophobicContact CD2-CD2 3.77Å; L494-F529 HydrophobicContact CD1-CE1 4.14Å; L494-F529 HydrophobicContact CD1-CZ 4.34Å; L494-F529 HydrophobicContact CD2-CZ 4.22Å; L494-V598 HydrophobicContact CD1-CB 4.47Å; L494-V598 HydrophobicContact CD1-CG2 4.39Å
495S97.1Very high95.8Very high59 Ų5953.4 Ų53.441%0.41328%0.278SS..EExtended strand (participates in β ladder)trans-143.2159.8168.661.30000110.1I517 N518S495-I517 CarbonylContact O-C 3.59Å; S495-I517 WeakPolarHBondContact O-CA 3.38Å; S495-N518 PolarHBondContact N-O 3.35Å; S495-N518 PolarHBondContact O-N 3.27Å; S495-N518 WeakPolarHBondContact OG-CB 3.33Å
496F97.9Very high95.8Very high19 Ų1958.2 Ų58.28%0.08331%0.31CS..EExtended strand (participates in β ladder)trans-81140.8173.9-60.7-62.6000110.3Y458 P483 V485 F489 D498 I501 I517 C599 F601Y458-F496 HydrophobicContact CE1-CE2 4.41Å; P483-F496 HydrophobicContact CB-CE2 3.61Å; P483-F496 HydrophobicContact CB-CZ 3.68Å; P483-F496 HydrophobicContact CG-CD2 4.21Å; P483-F496 HydrophobicContact CG-CE2 3.72Å; P483-F496 HydrophobicContact CG-CZ 4.17Å; V485-F496 HydrophobicContact CG1-CE2 3.85Å; V485-F496 HydrophobicContact CG1-CZ 3.56Å; F489-F496 HydrophobicContact CD2-CZ 4.48Å; F489-F496 HydrophobicContact CE1-CE2 4.27Å; F489-F496 HydrophobicContact CE1-CZ 4.39Å; F489-F496 HydrophobicContact CE2-CD1 4.26Å; F489-F496 AromaticContact CE2-CE1 3.61Å; F489-F496 HydrophobicContact CE2-CE1 3.61Å; F489-F496 HydrophobicContact CE2-CE2 4.28Å; F489-F496 AromaticContact CE2-CZ 3.64Å; F489-F496 HydrophobicContact CE2-CZ 3.64Å; F489-F496 HydrophobicContact CZ-CD1 4.09Å; F489-F496 HydrophobicContact CZ-CD2 4.07Å; F489-F496 AromaticContact CZ-CE1 3.75Å; F489-F496 HydrophobicContact CZ-CE1 3.75Å; F489-F496 AromaticContact CZ-CE2 3.74Å; F489-F496 HydrophobicContact CZ-CE2 3.74Å; F489-F496 HydrophobicContact CZ-CG 4.24Å; F489-F496 AromaticContact CZ-CZ 3.58Å; F489-F496 HydrophobicContact CZ-CZ 3.58Å; F496-D498 VanDerWaalsContact C-N 3.31Å; F496-D498 VanDerWaalsContact CB-O 3.3Å; F496-D498 WeakPolarHBondContact CB-O 3.27Å; F496-I501 HydrophobicContact CB-CG2 3.65Å; F496-I501 HydrophobicContact CD1-CG2 4.05Å; F496-I501 HydrophobicContact CD2-CG2 3.8Å; F496-I501 HydrophobicContact CE2-CG2 4.48Å; F496-I501 HydrophobicContact CG-CG2 3.54Å; F496-I517 HydrophobicContact CD1-CG1 4.33Å; F496-I517 HydrophobicContact CE1-CG1 4.4Å; F496-C599 HydrophobicContact CZ-CB 4.35Å; F496-F601 HydrophobicContact CD1-CZ 4.1Å; F496-F601 AromaticContact CE1-CE2 3.91Å; F496-F601 HydrophobicContact CE1-CE2 3.91Å; F496-F601 AromaticContact CE1-CZ 3.47Å; F496-F601 HydrophobicContact CE1-CZ 3.47Å; F496-F601 VanDerWaalsContact CE1-CZ 3.47Å; F496-F601 HydrophobicContact CZ-CE2 4.4Å; F496-F601 AromaticContact CZ-CZ 3.8Å; F496-F601 HydrophobicContact CZ-CZ 3.8Å
497A97.1Very high96Very high53 Ų5354.8 Ų54.844%0.43830%0.299SS..SBendtrans-66.7-37.1176.100000111.8A516 N518A497-A516 HydrophobicContact CB-CB 3.67Å; A497-A516 PolarHBondContact N-O 2.84Å; A497-N518 WeakPolarHBondContact CA-ND2 3.17Å
498D96.9Very high96.2Very high87 Ų8758.6 Ų58.647%0.46532%0.32SS..SBendtrans-94.7110.7164.61788.6000109F496 N500 I501F496-D498 VanDerWaalsContact C-N 3.31Å; F496-D498 VanDerWaalsContact CB-O 3.3Å; F496-D498 WeakPolarHBondContact CB-O 3.27Å; D498-N500 PolarHBondContact O-N 2.99Å; D498-N500 PolarHBondContact OD1-N 2.85Å; D498-I501 HydrophobicContact CB-CB 4.23Å; D498-I501 WeakPolarHBondContact O-CB 3.31Å; D498-I501 VanDerWaalsContact O-CG2 3.29Å; D498-I501 WeakPolarHBondContact O-CG2 3.35Å; D498-I501 PolarHBondContact O-N 3.17Å
499A94.3Very high96.3Very high87 Ų8762.9 Ų62.972%0.71934%0.337SS*.THydrogen-bonded Turntrans-65.7-16.6179.500000113.4
500N95.8Very high96.3Very high136 Ų13664.5 Ų64.573%0.72735%0.349SS*.THydrogen-bonded Turntrans-103.88.2179.8-57.6-53000112.8D498 Q502D498-N500 PolarHBondContact O-N 2.99Å; D498-N500 PolarHBondContact OD1-N 2.85Å; N500-Q502 PolarHBondContact O-N 3.15Å
501I97.7Very high96.4Very high22 Ų2263.1 Ų63.111%0.11334%0.343CS..  trans-57.9134.5178.8-164.5172.1000110.3P483 F496 D498 V505 V515 F601P483-I501 VanDerWaalsContact CD-O 3.28Å; P483-I501 WeakPolarHBondContact CD-O 3.39Å; P483-I501 HydrophobicContact CG-CG2 3.87Å; P483-I501 WeakPolarHBondContact CG-O 3.41Å; F496-I501 HydrophobicContact CB-CG2 3.65Å; F496-I501 HydrophobicContact CD1-CG2 4.05Å; F496-I501 HydrophobicContact CD2-CG2 3.8Å; F496-I501 HydrophobicContact CE2-CG2 4.48Å; F496-I501 HydrophobicContact CG-CG2 3.54Å; D498-I501 HydrophobicContact CB-CB 4.23Å; D498-I501 WeakPolarHBondContact O-CB 3.31Å; D498-I501 VanDerWaalsContact O-CG2 3.29Å; D498-I501 WeakPolarHBondContact O-CG2 3.35Å; D498-I501 PolarHBondContact O-N 3.17Å; I501-V505 HydrophobicContact CD1-CG2 4.21Å; I501-V505 HydrophobicContact CG1-CG2 4.2Å; I501-V515 HydrophobicContact CD1-CG1 4.3Å; I501-V515 HydrophobicContact CD1-CG2 4.2Å; I501-F601 HydrophobicContact CD1-CD1 4.46Å; I501-F601 HydrophobicContact CD1-CE1 3.77Å; I501-F601 HydrophobicContact CD1-CZ 4.04Å; I501-F601 HydrophobicContact CG1-CE1 3.94Å; I501-F601 HydrophobicContact CG2-CE1 4.33Å; I501-F601 HydrophobicContact CG2-CZ 4.47Å
502Q98.1Very high96.7Very high101 Ų10158.3 Ų58.347%0.47232%0.324SS..  trans-101.2164.9-179-65-173.8-29.500111.5D481 N500 I504 F601D481-Q502 HydrophobicContact CB-CG 4.42Å; D481-Q502 CarbonylContact O-C 3.58Å; D481-Q502 WeakPolarHBondContact O-CA 3.31Å; D481-Q502 WeakPolarHBondContact O-CB 3.39Å; N500-Q502 PolarHBondContact O-N 3.15Å; Q502-I504 PolarHBondContact O-N 3.31Å; Q502-F601 VanDerWaalsContact O-CD1 3.31Å; Q502-F601 WeakPolarHBondContact O-CD1 3Å; Q502-F601 WeakPolarHBondContact O-CE1 3.47Å
503A98.3Very high96.9Very high0 Ų057.1 Ų57.10%032%0.32CS..SBendtrans-58-31.3175.700000112.5P386 D481 L482 F601 K602P386-A503 HydrophobicContact CB-CB 4Å; P386-A503 WeakPolarHBondContact CB-O 3.4Å; D481-A503 PolarHBondContact O-N 3.39Å; L482-A503 WeakPolarHBondContact O-CB 3.45Å; A503-F601 WeakPolarHBondContact O-CA 3.48Å; A503-K602 PolarHBondContact O-N 2.84Å
504I98.5Very high97.2Very high61 Ų6152.1 Ų52.131%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-103.7120.2174.6-55.9179.9000108.4Q502 K602 V604Q502-I504 PolarHBondContact O-N 3.31Å; I504-K602 CarbonylContact C-O 3.59Å; I504-K602 VanDerWaalsContact CA-O 3.28Å; I504-K602 WeakPolarHBondContact CA-O 3.09Å; I504-K602 HydrophobicContact CG1-CB 4.31Å; I504-K602 HydrophobicContact CG1-CD 4.33Å; I504-V604 HydrophobicContact CG2-CB 4.32Å; I504-V604 HydrophobicContact CG2-CG2 3.55Å
505V98.4Very high97.3Very high14 Ų1451.7 Ų51.79%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-110112.6178.4-175.30000108.5I501 A513 V515 F601 K602 L603 V604I501-V505 HydrophobicContact CD1-CG2 4.21Å; I501-V505 HydrophobicContact CG1-CG2 4.2Å; V505-A513 HydrophobicContact CG1-CB 4.15Å; V505-V515 HydrophobicContact CG2-CG2 4.32Å; V505-F601 HydrophobicContact CG2-CB 4.25Å; V505-F601 HydrophobicContact CG2-CD1 3.64Å; V505-F601 HydrophobicContact CG2-CE1 4.35Å; V505-F601 HydrophobicContact CG2-CG 4.21Å; V505-K602 PolarHBondContact N-O 3.14Å; V505-L603 HydrophobicContact CB-CD2 3.77Å; V505-L603 HydrophobicContact CG1-CD2 4.42Å; V505-L603 HydrophobicContact CG2-CD2 4.27Å; V505-L603 WeakPolarHBondContact O-CA 3.36Å; V505-V604 PolarHBondContact O-N 2.97Å; V505-V604 VanDerWaalsContact O-N 3.07Å
506P98.1Very high97.3Very high102 Ų10249.8 Ų49.866%0.66230%0.295SS*.EExtended strand (participates in β ladder)trans-69.3134.8176.628.6-32.9000110.1
507A98Very high97.3Very high12 Ų1248.9 Ų48.910%0.09929%0.291CS..  trans-81.4144.216700000109.7A512 A513 T567 V604 C605A507-A512 CarbonylContact C-O 3.54Å; A507-A512 VanDerWaalsContact CA-O 3.3Å; A507-A512 WeakPolarHBondContact CA-O 3.46Å; A507-A513 HydrophobicContact CB-CB 4.17Å; A507-T567 HydrophobicContact CB-CG2 4.46Å; A507-V604 PolarHBondContact N-O 3.08Å; A507-C605 HydrophobicContact CB-CB 3.87Å
508D96.8Very high97.4Very high83 Ų8348.6 Ų48.644%0.44428%0.282SS..  trans-73.8-177.5172.873.118.8000112.2S510 G511 A512D508-S510 PolarHBondContact O-N 3.25Å; D508-S510 VanDerWaalsContact O-N 3.17Å; D508-S510 VanDerWaalsContact OD1-CA 3.3Å; D508-S510 WeakPolarHBondContact OD1-CA 3.29Å; D508-S510 WeakPolarHBondContact OD1-CB 3.1Å; D508-S510 PolarHBondContact OD1-N 3.4Å; D508-S510 PolarHBondContact OD1-OG 2.87Å; D508-S510 PolarHBondContact OD2-OG 2.97Å; D508-G511 WeakPolarHBondContact O-CA 3.24Å; D508-G511 PolarHBondContact O-N 2.92Å; D508-G511 PolarHBondContact OD1-N 2.68Å; D508-A512 PolarHBondContact N-O 3.25Å; D508-A512 PolarHBondContact OD1-N 3.09Å
509K96.2Very high97.3Very high118 Ų11845 Ų4551%0.51326%0.262SS..THydrogen-bonded Turntrans-67.5-12.8-178.7-58.9-174.3173.1-130.20114.4G511 E607 N609K509-G511 VanDerWaalsContact C-N 3.33Å; K509-E607 VanDerWaalsContact CE-OE2 3.3Å; K509-E607 WeakPolarHBondContact CE-OE2 3.03Å; K509-E607 VanDerWaalsContact NZ-CD 3.26Å; K509-E607 IonicContact NZ-OE1 2.9Å; K509-E607 PolarHBondContact NZ-OE1 3.02Å; K509-E607 IonicContact NZ-OE2 2.83Å; K509-E607 PolarHBondContact NZ-OE2 2.99Å; K509-N609 PolarHBondContact O-N 2.99Å
510S95.1Very high97.1Very high40 Ų4041.9 Ų41.928%0.2824%0.235SC..THydrogen-bonded Turntrans-90.5-1.4170.277.10000112.4D508 A512 L608D508-S510 PolarHBondContact O-N 3.25Å; D508-S510 VanDerWaalsContact O-N 3.17Å; D508-S510 VanDerWaalsContact OD1-CA 3.3Å; D508-S510 WeakPolarHBondContact OD1-CA 3.29Å; D508-S510 WeakPolarHBondContact OD1-CB 3.1Å; D508-S510 PolarHBondContact OD1-N 3.4Å; D508-S510 PolarHBondContact OD1-OG 2.87Å; D508-S510 PolarHBondContact OD2-OG 2.97Å; S510-A512 VanDerWaalsContact C-N 3.3Å; S510-A512 WeakPolarHBondContact OG-CB 3.44Å; S510-L608 VanDerWaalsContact C-CD1 3.5Å
511G96.2Very high96.7Very high0 Ų038.9 Ų38.90%022%0.223CC..  trans81.86.9-173.700000113.4D508 K509 H566 T567D508-G511 WeakPolarHBondContact O-CA 3.24Å; D508-G511 PolarHBondContact O-N 2.92Å; D508-G511 PolarHBondContact OD1-N 2.68Å; K509-G511 VanDerWaalsContact C-N 3.33Å; G511-H566 CarbonylContact O-C 3.55Å; G511-H566 WeakPolarHBondContact O-CA 3.3Å; G511-T567 VanDerWaalsContact CA-OG1 3.22Å; G511-T567 WeakPolarHBondContact CA-OG1 3.38Å; G511-T567 PolarHBondContact O-N 2.7Å; G511-T567 PolarHBondContact O-OG1 3.34Å
512A97.3Very high96.2Very high20 Ų2043.8 Ų43.817%0.16525%0.245CC..EExtended strand (participates in β ladder)trans-79.7127.6-175.600000111.6A507 D508 S510 V565A507-A512 CarbonylContact C-O 3.54Å; A507-A512 VanDerWaalsContact CA-O 3.3Å; A507-A512 WeakPolarHBondContact CA-O 3.46Å; D508-A512 PolarHBondContact N-O 3.25Å; D508-A512 PolarHBondContact OD1-N 3.09Å; S510-A512 VanDerWaalsContact C-N 3.3Å; S510-A512 WeakPolarHBondContact OG-CB 3.44Å; A512-V565 CarbonylContact C-O 3.47Å; A512-V565 VanDerWaalsContact CA-O 3.27Å; A512-V565 WeakPolarHBondContact CA-O 3.46Å
513A98.2Very high95.6Very high3 Ų340.4 Ų40.43%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-134130.9170.400000108.7V505 A507 V565 L603V505-A513 HydrophobicContact CG1-CB 4.15Å; A507-A513 HydrophobicContact CB-CB 4.17Å; A513-V565 PolarHBondContact N-O 2.84Å; A513-V565 PolarHBondContact O-N 3.47Å; A513-L603 HydrophobicContact CB-CD1 4.37Å; A513-L603 HydrophobicContact CB-CD2 4.19Å
514T98.1Very high94.9Very high67 Ų6741 Ų4141%0.41124%0.236SC..EExtended strand (participates in β ladder)trans-120.9129.6-175.1-60.90000111.1I562 F563 R564T514-I562 HydrophobicContact CG2-CG2 3.71Å; T514-F563 WeakPolarHBondContact CA-O 3.18Å; T514-R564 HydrophobicContact CG2-CG 4.05Å
515V98.5Very high94.2Very high1 Ų145 Ų451%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-116126.4168.7177.20000107.9I501 V505 I517 F563 L575 I577 F601I501-V515 HydrophobicContact CD1-CG1 4.3Å; I501-V515 HydrophobicContact CD1-CG2 4.2Å; V505-V515 HydrophobicContact CG2-CG2 4.32Å; V515-I517 HydrophobicContact CG1-CG1 4.39Å; V515-F563 PolarHBondContact N-O 2.82Å; V515-F563 PolarHBondContact O-N 3.06Å; V515-L575 HydrophobicContact CB-CD2 4.32Å; V515-L575 HydrophobicContact CG2-CD2 3.98Å; V515-I577 HydrophobicContact CB-CD1 4.47Å; V515-I577 HydrophobicContact CG1-CD1 3.92Å; V515-F601 HydrophobicContact CB-CE2 4.48Å; V515-F601 HydrophobicContact CG1-CD2 3.89Å; V515-F601 HydrophobicContact CG1-CE2 3.46Å; V515-F601 VanDerWaalsContact CG1-CE2 3.46Å; V515-F601 HydrophobicContact CG1-CZ 3.94Å; V515-F601 HydrophobicContact CG2-CB 4.47Å; V515-F601 HydrophobicContact CG2-CD1 4.45Å; V515-F601 HydrophobicContact CG2-CD2 3.87Å; V515-F601 HydrophobicContact CG2-CE2 4.2Å; V515-F601 HydrophobicContact CG2-CG 4Å
516A98.1Very high93.8Very high20 Ų2047.7 Ų47.717%0.16527%0.265CS..EExtended strand (participates in β ladder)trans-124.2129.2178.400000110.7A497 A561 I562A497-A516 HydrophobicContact CB-CB 3.67Å; A497-A516 PolarHBondContact N-O 2.84Å; A516-A561 WeakPolarHBondContact CA-O 3.33Å; A516-I562 HydrophobicContact CB-CG1 4.18Å
517I98.3Very high93.5Very high0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-118.6120.5-176.2-57.4176.2000108.4F489 L494 S495 F496 V515 S560 A561 F563 I577F489-I517 HydrophobicContact CE2-CG2 4.16Å; L494-I517 HydrophobicContact CB-CG2 3.84Å; L494-I517 HydrophobicContact CD1-CG2 4.07Å; L494-I517 HydrophobicContact CD2-CG2 4.13Å; L494-I517 HydrophobicContact CG-CG2 4.22Å; S495-I517 CarbonylContact O-C 3.59Å; S495-I517 WeakPolarHBondContact O-CA 3.38Å; F496-I517 HydrophobicContact CD1-CG1 4.33Å; F496-I517 HydrophobicContact CE1-CG1 4.4Å; V515-I517 HydrophobicContact CG1-CG1 4.39Å; I517-S560 CarbonylContact O-C 3.51Å; I517-S560 VanDerWaalsContact O-CA 3.27Å; I517-S560 WeakPolarHBondContact O-CA 3.41Å; I517-A561 PolarHBondContact N-O 2.93Å; I517-A561 PolarHBondContact O-N 3.2Å; I517-F563 HydrophobicContact CD1-CE2 4.1Å; I517-I577 HydrophobicContact CD1-CD1 3.89Å; I517-I577 HydrophobicContact CD1-CG2 4Å
518N97.6Very high93.2Very high47 Ų4743 Ų4325%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-80144.8173.5-65.7-24.8000110.8L494 S495 A497 S560L494-N518 WeakPolarHBondContact CA-O 3.34Å; S495-N518 PolarHBondContact N-O 3.35Å; S495-N518 PolarHBondContact O-N 3.27Å; S495-N518 WeakPolarHBondContact OG-CB 3.33Å; A497-N518 WeakPolarHBondContact CA-ND2 3.17Å; N518-S560 PolarHBondContact OD1-OG 3.18Å
519M94.8Very high93.2Very high12 Ų1239.5 Ų39.56%0.05921%0.214CC..  trans-119.5153.8174.5-62.8170.8-83.200109.7L494 C523 L527 F529 T556 H559 A561L494-M519 HydrophobicContact CD2-CB 4.46Å; L494-M519 HydrophobicContact CD2-CG 3.79Å; M519-C523 HydrophobicContact CB-CB 4.48Å; M519-L527 HydrophobicContact CG-CD2 4.23Å; M519-L527 HydrophobicContact SD-CB 4.43Å; M519-L527 HydrophobicContact SD-CD2 4.16Å; M519-F529 HydrophobicContact CE-CE2 4.27Å; M519-F529 HydrophobicContact CG-CE2 4.22Å; M519-F529 HydrophobicContact CG-CZ 4.17Å; M519-F529 HydrophobicContact SD-CE2 3.53Å; M519-F529 VanDerWaalsContact SD-CE2 3.53Å; M519-F529 HydrophobicContact SD-CZ 4.08Å; M519-T556 HydrophobicContact CE-CG2 4.01Å; M519-H559 WeakPolarHBondContact CE-O 3.42Å; M519-H559 PolarHBondContact N-O 2.82Å; M519-A561 HydrophobicContact CE-CB 4.21Å
520S91.5Very high93.1Very high21 Ų2136.5 Ų36.515%0.14720%0.201CC..  trans-67.1153.7164.166.30000110.9E522 C523 T524S520-E522 WeakPolarHBondContact CB-OE2 3.43Å; S520-E522 PolarHBondContact O-N 2.75Å; S520-E522 PolarHBondContact OG-OE2 3.45Å; S520-C523 PolarHBondContact O-N 2.91Å; S520-C523 VanDerWaalsContact OG-CB 3.27Å; S520-C523 WeakPolarHBondContact OG-CB 3.3Å; S520-C523 PolarHBondContact OG-N 2.81Å; S520-C523 PolarHBondContact OG-SG 2.83Å; S520-T524 PolarHBondContact O-N 2.7Å; S520-T524 PolarHBondContact O-OG1 3.18Å
521P87.7Confident93.3Very high72 Ų7235.5 Ų35.547%0.46819%0.192SC..THydrogen-bonded Turntrans-55.6-33.6175.4-2736.2000113.5
522E85.7Confident93.3Very high126 Ų12639.5 Ų39.559%0.58921%0.213SC*.THydrogen-bonded Turntrans-68.7-48.1177.4-58.873.8-156.500111.2S520 T524 K525S520-E522 WeakPolarHBondContact CB-OE2 3.43Å; S520-E522 PolarHBondContact O-N 2.75Å; S520-E522 PolarHBondContact OG-OE2 3.45Å; E522-T524 VanDerWaalsContact C-N 3.27Å; E522-T524 PolarHBondContact O-N 2.96Å; E522-K525 PolarHBondContact O-N 2.99Å
523C85.5Confident93.3Very high30 Ų3038.9 Ų38.920%0.20321%0.207CC..Hα-helixtrans-65.4-32.6178.8-70.40000111.8Y492 M519 S520 K525 N526 L527Y492-C523 PolarHBondContact O-SG 2.65Å; Y492-C523 VanDerWaalsContact O-SG 3.39Å; M519-C523 HydrophobicContact CB-CB 4.48Å; S520-C523 PolarHBondContact O-N 2.91Å; S520-C523 VanDerWaalsContact OG-CB 3.27Å; S520-C523 WeakPolarHBondContact OG-CB 3.3Å; S520-C523 PolarHBondContact OG-N 2.81Å; S520-C523 PolarHBondContact OG-SG 2.83Å; C523-K525 PolarHBondContact O-N 3.35Å; C523-N526 PolarHBondContact O-N 3.13Å; C523-N526 VanDerWaalsContact O-N 3.16Å; C523-L527 WeakPolarHBondContact O-CB 3.41Å; C523-L527 PolarHBondContact O-N 2.82Å
524T84.3Confident93.3Very high13 Ų1341 Ų418%0.0821%0.214CC..Hα-helixtrans-54.5-25.9178.6-54.70000112.2S520 E522 H559 R630S520-T524 PolarHBondContact O-N 2.7Å; S520-T524 PolarHBondContact O-OG1 3.18Å; E522-T524 VanDerWaalsContact C-N 3.27Å; E522-T524 PolarHBondContact O-N 2.96Å; T524-H559 PolarHBondContact OG1-ND1 2.67Å; T524-R630 WeakPolarHBondContact O-CD 3.37Å; T524-R630 PolarHBondContact O-NH1 3.22Å
525K84.8Confident93.3Very high144 Ų14439.5 Ų39.563%0.62620%0.202SC*.Hα-helixtrans-74.2-37.4-178.7-65.2178.1-178.31750114.1E522 C523E522-K525 PolarHBondContact O-N 2.99Å; C523-K525 PolarHBondContact O-N 3.35Å
526N88.2Confident93.3Very high71 Ų7140.1 Ų40.138%0.3820%0.204SC..Hα-helixtrans-118.7-16.3-168.9-60.8-25.7000113.2C523 V582C523-N526 PolarHBondContact O-N 3.13Å; C523-N526 VanDerWaalsContact O-N 3.16Å; N526-V582 WeakPolarHBondContact CA-O 3.22Å; N526-V582 PolarHBondContact O-N 3.49Å; N526-V582 VanDerWaalsContact O-O 3.07Å
527L92.7Very high93.1Very high3 Ų346.1 Ų46.12%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-80.2129.5-176-159.271000110.8Y492 L494 M519 C523 F529 A579 A581 R630Y492-L527 HydrophobicContact CD1-CD1 3.86Å; Y492-L527 HydrophobicContact CD2-CD1 3.94Å; Y492-L527 HydrophobicContact CE1-CD1 3.97Å; Y492-L527 HydrophobicContact CE2-CD1 4.05Å; Y492-L527 HydrophobicContact CG-CD1 3.84Å; Y492-L527 HydrophobicContact CG-CD2 4.46Å; L494-L527 HydrophobicContact CD2-CD2 3.77Å; M519-L527 HydrophobicContact CG-CD2 4.23Å; M519-L527 HydrophobicContact SD-CB 4.43Å; M519-L527 HydrophobicContact SD-CD2 4.16Å; C523-L527 WeakPolarHBondContact O-CB 3.41Å; C523-L527 PolarHBondContact O-N 2.82Å; L527-F529 HydrophobicContact CD2-CE1 4.33Å; L527-F529 HydrophobicContact CD2-CE2 3.9Å; L527-F529 HydrophobicContact CD2-CZ 3.56Å; L527-F529 HydrophobicContact CG-CE2 4.26Å; L527-F529 HydrophobicContact CG-CZ 4.29Å; L527-A579 HydrophobicContact CD1-CB 4.07Å; L527-A579 HydrophobicContact CG-CB 4.34Å; L527-A581 HydrophobicContact CD1-CB 4.34Å; L527-R630 PolarHBondContact O-NH1 2.83Å
528I92.7Very high92.8Very high13 Ų1347.9 Ų47.97%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-121.3146.7172.956.3167.9000109.6A579 N580 V582 Y587 L593 F595 L631I528-A579 VanDerWaalsContact O-CA 3.31Å; I528-A579 WeakPolarHBondContact O-CA 3.18Å; I528-N580 HydrophobicContact CG1-CB 4.21Å; I528-N580 WeakPolarHBondContact CG1-O 3.43Å; I528-N580 PolarHBondContact N-O 2.75Å; I528-N580 PolarHBondContact O-N 3.32Å; I528-V582 HydrophobicContact CD1-CB 4.24Å; I528-V582 HydrophobicContact CD1-CG2 3.67Å; I528-V582 HydrophobicContact CG1-CG2 4.01Å; I528-Y587 HydrophobicContact CD1-CD2 4.22Å; I528-Y587 HydrophobicContact CD1-CE2 3.98Å; I528-L593 HydrophobicContact CD1-CD1 3.43Å; I528-L593 VanDerWaalsContact CD1-CD1 3.43Å; I528-F595 HydrophobicContact CB-CE1 4.43Å; I528-F595 HydrophobicContact CD1-CE1 3.76Å; I528-F595 HydrophobicContact CD1-CZ 3.49Å; I528-F595 VanDerWaalsContact CD1-CZ 3.49Å; I528-F595 HydrophobicContact CG1-CE1 3.74Å; I528-F595 HydrophobicContact CG1-CZ 4.02Å; I528-L631 HydrophobicContact CG2-CD1 3.99Å
529F95.4Very high92.3Very high8 Ų852.3 Ų52.34%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-113.5152.8178.8-65.4-92.9000112.5L494 M519 L527 Q554 A561 F563 I577 F578 A579L494-F529 HydrophobicContact CD1-CE1 4.14Å; L494-F529 HydrophobicContact CD1-CZ 4.34Å; L494-F529 HydrophobicContact CD2-CZ 4.22Å; M519-F529 HydrophobicContact CE-CE2 4.27Å; M519-F529 HydrophobicContact CG-CE2 4.22Å; M519-F529 HydrophobicContact CG-CZ 4.17Å; M519-F529 HydrophobicContact SD-CE2 3.53Å; M519-F529 VanDerWaalsContact SD-CE2 3.53Å; M519-F529 HydrophobicContact SD-CZ 4.08Å; L527-F529 HydrophobicContact CD2-CE1 4.33Å; L527-F529 HydrophobicContact CD2-CE2 3.9Å; L527-F529 HydrophobicContact CD2-CZ 3.56Å; L527-F529 HydrophobicContact CG-CE2 4.26Å; L527-F529 HydrophobicContact CG-CZ 4.29Å; F529-Q554 PolarHBondContact O-NE2 2.84Å; F529-A561 HydrophobicContact CD2-CB 3.68Å; F529-A561 HydrophobicContact CE2-CB 3.55Å; F529-A561 HydrophobicContact CG-CB 4.31Å; F529-A561 HydrophobicContact CZ-CB 4.07Å; F529-F563 HydrophobicContact CB-CE1 4.36Å; F529-F563 HydrophobicContact CB-CZ 3.79Å; F529-F563 HydrophobicContact CD1-CZ 4.06Å; F529-F563 HydrophobicContact CG-CZ 4.02Å; F529-I577 HydrophobicContact CD1-CG2 3.89Å; F529-F578 VanDerWaalsContact CA-O 3.27Å; F529-F578 WeakPolarHBondContact CA-O 3.22Å; F529-F578 WeakPolarHBondContact CD1-O 3.04Å; F529-A579 HydrophobicContact CD1-CB 3.92Å; F529-A579 HydrophobicContact CE1-CB 3.92Å
530H95.4Very high92.4Very high56 Ų5657.7 Ų57.726%0.25930%0.295SS..EExtended strand (participates in β ladder)trans-134.6163.8167.4-170.761.6000108.9F578 F595H530-F578 HydrophobicContact CB-CB 4.35Å; H530-F578 PolarHBondContact N-O 2.9Å; H530-F578 PolarHBondContact O-N 2.86Å; H530-F595 HydrophobicContact CB-CB 4.41Å; H530-F595 HydrophobicContact CB-CD1 3.62Å; H530-F595 HydrophobicContact CB-CD2 4.12Å; H530-F595 HydrophobicContact CB-CE1 3.76Å; H530-F595 HydrophobicContact CB-CE2 4.25Å; H530-F595 HydrophobicContact CB-CG 3.8Å; H530-F595 HydrophobicContact CB-CZ 4.07Å
531Y97.5Very high92.6Very high19 Ų1958.3 Ų58.38%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-148.5151.5179.362.8-89.3000111K549 V552 Q554 F563 L575 D576Y531-K549 HydrophobicContact CE2-CB 4.28Å; Y531-K549 PolarHBondContact OH-O 2.93Å; Y531-K549 VanDerWaalsContact OH-O 3.13Å; Y531-V552 HydrophobicContact CD1-CG1 4.47Å; Y531-V552 HydrophobicContact CD2-CB 4.08Å; Y531-V552 HydrophobicContact CD2-CG1 3.85Å; Y531-V552 HydrophobicContact CD2-CG2 4.18Å; Y531-V552 HydrophobicContact CE1-CG1 4.14Å; Y531-V552 HydrophobicContact CE2-CB 3.33Å; Y531-V552 HydrophobicContact CE2-CG1 3.48Å; Y531-V552 VanDerWaalsContact CE2-CG1 3.48Å; Y531-V552 HydrophobicContact CE2-CG2 3.71Å; Y531-V552 HydrophobicContact CG-CG1 4.33Å; Y531-V552 PolarHBondContact OH-O 3.22Å; Y531-Q554 HydrophobicContact CD1-CB 4.08Å; Y531-Q554 HydrophobicContact CE1-CB 3.68Å; Y531-F563 AromaticContact CD1-CD1 3.96Å; Y531-F563 HydrophobicContact CD1-CD1 3.96Å; Y531-F563 AromaticContact CD1-CE1 3.9Å; Y531-F563 HydrophobicContact CD1-CE1 3.9Å; Y531-F563 HydrophobicContact CG-CD1 4.17Å; Y531-F563 HydrophobicContact CG-CE1 4.29Å; Y531-L575 HydrophobicContact CD2-CD1 4.49Å; Y531-D576 CarbonylContact C-O 3.46Å; Y531-D576 WeakPolarHBondContact CA-O 3.42Å
532N96.8Very high93Very high83 Ų8360 Ų6044%0.44430%0.303SS..EExtended strand (participates in β ladder)trans-118.9135.7166.1-71-29.4000108.8D576 F578N532-D576 HydrophobicContact CB-CB 4.46Å; N532-D576 PolarHBondContact N-O 2.95Å; N532-D576 PolarHBondContact O-N 2.64Å; N532-F578 HydrophobicContact CB-CE2 4.13Å
533L98Very high93.5Very high7 Ų756.7 Ų56.74%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-120.4130.3169.6-174.769.9000108.1L548 V552 V565 F573 L574 L575 L603L533-L548 HydrophobicContact CB-CB 4.25Å; L533-L548 HydrophobicContact CD2-CB 4.12Å; L533-L548 HydrophobicContact CG-CB 4.21Å; L533-V552 HydrophobicContact CB-CG2 4.04Å; L533-V552 HydrophobicContact CD2-CG2 3.56Å; L533-V552 HydrophobicContact CG-CG2 4.35Å; L533-V565 HydrophobicContact CD1-CG1 4.32Å; L533-V565 HydrophobicContact CD2-CG1 3.66Å; L533-F573 HydrophobicContact CD1-CB 3.86Å; L533-L574 WeakPolarHBondContact CA-O 3.45Å; L533-L575 HydrophobicContact CD1-CB 4.24Å; L533-L575 HydrophobicContact CD1-CD1 4.49Å; L533-L603 HydrophobicContact CD1-CD1 4.09Å
534R97.9Very high93.9Very high48 Ų4861 Ų6118%0.18131%0.308CS..EExtended strand (participates in β ladder)trans-144.2166.4175.558.9172.4-174.9115.7-2.1110.4S538 D539 E540 A541 F573 L574R534-S538 PolarHBondContact NH1-O 2.79Å; R534-D539 IonicContact CZ-OD1 3.67Å; R534-D539 IonicContact NH1-OD1 3.64Å; R534-D539 PolarHBondContact NH1-OD1 3.46Å; R534-D539 IonicContact NH2-OD1 2.82Å; R534-E540 WeakPolarHBondContact CA-O 3.44Å; R534-E540 VanDerWaalsContact CB-O 3.31Å; R534-E540 WeakPolarHBondContact CB-O 3.26Å; R534-A541 HydrophobicContact CB-CB 4.36Å; R534-F573 CarbonylContact O-C 3.55Å; R534-F573 VanDerWaalsContact O-CA 3.26Å; R534-F573 WeakPolarHBondContact O-CA 3.23Å; R534-F573 WeakPolarHBondContact O-CB 3.44Å; R534-L574 HydrophobicContact CG-CB 4.16Å; R534-L574 PolarHBondContact N-O 3.01Å; R534-L574 PolarHBondContact O-N 2.86Å
535F98.2Very high94.3Very high36 Ų3668.9 Ų68.916%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-59.8148.7165.5-70.9-73.2000110.3S538 E540 E542 F543 L548 F573F535-S538 WeakPolarHBondContact CB-OG 3.49Å; F535-E540 HydrophobicContact CD2-CB 4.05Å; F535-E540 PolarHBondContact N-O 2.73Å; F535-E542 WeakPolarHBondContact CE2-O 3.36Å; F535-F543 HydrophobicContact CE2-CB 4.49Å; F535-F543 HydrophobicContact CZ-CB 4.32Å; F535-F543 HydrophobicContact CZ-CD2 4.09Å; F535-L548 HydrophobicContact CD2-CD1 4.03Å; F535-L548 HydrophobicContact CE2-CD1 4.01Å; F535-F573 HydrophobicContact CD1-CD1 4.04Å; F535-F573 AromaticContact CD1-CE1 3.67Å; F535-F573 HydrophobicContact CD1-CE1 3.67Å; F535-F573 HydrophobicContact CD1-CZ 4.23Å; F535-F573 HydrophobicContact CE1-CD1 4.19Å; F535-F573 AromaticContact CE1-CE1 3.37Å; F535-F573 HydrophobicContact CE1-CE1 3.37Å; F535-F573 AromaticContact CE1-CZ 3.76Å; F535-F573 HydrophobicContact CE1-CZ 3.76Å; F535-F573 HydrophobicContact CZ-CE1 4.02Å
536Y97.6Very high94.9Very high14 Ų1463.6 Ų63.66%0.05532%0.323CS..SBendtrans-71.9-48.3-171.8-176.2-94.2000112.3Q385 P386 D572 L574 K602Q385-Y536 HydrophobicContact CB-CE2 4.09Å; Q385-Y536 WeakPolarHBondContact CB-OH 3.39Å; P386-Y536 WeakPolarHBondContact O-CE2 3.16Å; P386-Y536 PolarHBondContact O-OH 2.75Å; Y536-D572 WeakPolarHBondContact CB-O 3.13Å; Y536-D572 HydrophobicContact CG-CB 4.19Å; Y536-D572 PolarHBondContact N-O 2.86Å; Y536-L574 HydrophobicContact CD2-CB 4.21Å; Y536-L574 HydrophobicContact CD2-CD1 4.29Å; Y536-L574 HydrophobicContact CE2-CD1 4.27Å; Y536-K602 HydrophobicContact CD1-CD 4.48Å; Y536-K602 HydrophobicContact CD2-CB 4.07Å; Y536-K602 HydrophobicContact CD2-CD 3.86Å; Y536-K602 HydrophobicContact CD2-CG 3.62Å; Y536-K602 HydrophobicContact CE1-CD 4.29Å; Y536-K602 HydrophobicContact CE2-CB 3.85Å; Y536-K602 HydrophobicContact CE2-CD 3.61Å; Y536-K602 HydrophobicContact CE2-CG 3.69Å; Y536-K602 HydrophobicContact CG-CD 4.31Å; Y536-K602 HydrophobicContact CG-CG 4.31Å
537D93.7Very high95.2Very high145 Ų14562.7 Ų62.778%0.77532%0.318SS*.SBendtrans-87.2-7.6-175.3-64.4-46.6000114.2
538S92Very high95.5Very high37 Ų3762.5 Ų62.526%0.25932%0.317SS..SBendtrans-126.2160.7176.774.50000111.2R534 F535 E540R534-S538 PolarHBondContact NH1-O 2.79Å; F535-S538 WeakPolarHBondContact CB-OG 3.49Å; S538-E540 PolarHBondContact O-N 3.05Å; S538-E540 WeakPolarHBondContact OG-CB 3.2Å; S538-E540 PolarHBondContact OG-N 3Å
539D88.7Confident95.6Very high141 Ų14166.3 Ų66.375%0.75433%0.333SS*.  trans-83.912.2171.6-69.9-33000112.3R534 A541R534-D539 IonicContact CZ-OD1 3.67Å; R534-D539 IonicContact NH1-OD1 3.64Å; R534-D539 PolarHBondContact NH1-OD1 3.46Å; R534-D539 IonicContact NH2-OD1 2.82Å; D539-A541 PolarHBondContact O-N 2.97Å
540E95.6Very high95.7Very high124 Ų12467.7 Ų67.758%0.57934%0.338SS*.  trans-74.3126-179.4-63.5178.2174.400111.4R534 F535 S538R534-E540 WeakPolarHBondContact CA-O 3.44Å; R534-E540 VanDerWaalsContact CB-O 3.31Å; R534-E540 WeakPolarHBondContact CB-O 3.26Å; F535-E540 HydrophobicContact CD2-CB 4.05Å; F535-E540 PolarHBondContact N-O 2.73Å; S538-E540 PolarHBondContact O-N 3.05Å; S538-E540 WeakPolarHBondContact OG-CB 3.2Å; S538-E540 PolarHBondContact OG-N 3Å
541A96.4Very high95.7Very high35 Ų3565.5 Ų65.529%0.28933%0.328SS..  trans-112.318.8179.600000112.5R534 D539 L548R534-A541 HydrophobicContact CB-CB 4.36Å; D539-A541 PolarHBondContact O-N 2.97Å; A541-L548 WeakPolarHBondContact O-CB 3.46Å; A541-L548 PolarHBondContact O-N 3.47Å
542E96.7Very high95.8Very high107 Ų10764.6 Ų64.650%0.532%0.324SS..EExtended strand (participates in β ladder)trans-133.6143.2-177.6-60.5-169.6171.500111.4F535 V546F535-E542 WeakPolarHBondContact CE2-O 3.36Å; E542-V546 CarbonylContact C-O 3.56Å; E542-V546 WeakPolarHBondContact CA-O 3.04Å
543F95.4Very high95.8Very high56 Ų5661.3 Ų61.325%0.24631%0.306CS..EExtended strand (participates in β ladder)trans-128.6121.8172.6174.3-101.1000108.4F535 H545 V546 L548 P568 C569F535-F543 HydrophobicContact CE2-CB 4.49Å; F535-F543 HydrophobicContact CZ-CB 4.32Å; F535-F543 HydrophobicContact CZ-CD2 4.09Å; F543-H545 VanDerWaalsContact C-N 3.3Å; F543-H545 PolarHBondContact O-N 2.89Å; F543-V546 PolarHBondContact N-O 2.96Å; F543-V546 WeakPolarHBondContact O-CA 3.5Å; F543-V546 WeakPolarHBondContact O-CB 3.35Å; F543-V546 PolarHBondContact O-N 3.1Å; F543-L548 HydrophobicContact CB-CD2 3.94Å; F543-P568 HydrophobicContact CB-CG 4.11Å; F543-P568 HydrophobicContact CD1-CB 3.54Å; F543-P568 HydrophobicContact CD1-CG 3.99Å; F543-P568 HydrophobicContact CE1-CB 3.8Å; F543-P568 HydrophobicContact CG-CB 4.05Å; F543-P568 HydrophobicContact CG-CG 3.97Å; F543-C569 HydrophobicContact CE2-CB 3.79Å; F543-C569 HydrophobicContact CZ-CB 3.97Å
544N94.1Very high95.7Very high121 Ų12161 Ų6165%0.64731%0.305SS*.THydrogen-bonded Turntrans49.846.1-175.8-64.9-19.1000113.6V546N544-V546 PolarHBondContact O-N 3.37Å; N544-V546 VanDerWaalsContact O-N 3.16Å
545H93.6Very high95.6Very high179 Ų17959.1 Ų59.183%0.82930%0.299SS*.THydrogen-bonded Turntrans62.713.3-175.8-47.9-70.2000115F543F543-H545 VanDerWaalsContact C-N 3.3Å; F543-H545 PolarHBondContact O-N 2.89Å
546V95.6Very high95.4Very high33 Ų3357.8 Ų57.820%0.229%0.294CS..EExtended strand (participates in β ladder)trans-107.5123.5174.2-175.40000109E542 F543 N544 L548 R550 F551 P614E542-V546 CarbonylContact C-O 3.56Å; E542-V546 WeakPolarHBondContact CA-O 3.04Å; F543-V546 PolarHBondContact N-O 2.96Å; F543-V546 WeakPolarHBondContact O-CA 3.5Å; F543-V546 WeakPolarHBondContact O-CB 3.35Å; F543-V546 PolarHBondContact O-N 3.1Å; N544-V546 PolarHBondContact O-N 3.37Å; N544-V546 VanDerWaalsContact O-N 3.16Å; V546-L548 PolarHBondContact O-N 3.23Å; V546-R550 HydrophobicContact CG1-CB 4.22Å; V546-R550 HydrophobicContact CG1-CG 4.49Å; V546-F551 HydrophobicContact CB-CE2 4.33Å; V546-F551 HydrophobicContact CG1-CE2 3.87Å; V546-F551 HydrophobicContact CG1-CZ 4.36Å; V546-P614 HydrophobicContact CG1-CB 3.68Å; V546-P614 HydrophobicContact CG1-CG 3.93Å
547N96.1Very high95Very high51 Ų5161.1 Ų61.127%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-62.3132.8176.9-168.7-75000111.8K549 R550N547-K549 HydrophobicContact CB-CD 4.38Å; N547-K549 HydrophobicContact CB-CG 4.2Å; N547-K549 PolarHBondContact O-N 3.37Å; N547-K549 VanDerWaalsContact O-N 3.08Å; N547-K549 WeakPolarHBondContact OD1-CB 3.35Å; N547-K549 WeakPolarHBondContact OD1-CD 3.4Å; N547-K549 WeakPolarHBondContact OD1-CG 3.3Å; N547-K549 PolarHBondContact OD1-N 2.7Å; N547-R550 WeakPolarHBondContact O-CB 3.38Å; N547-R550 PolarHBondContact O-N 3.04Å
548L97.4Very high94.9Very high0 Ų057 Ų570%031%0.307CS..G310 helixtrans-60.5-21.7-176.9-74.9178.2000113.4L533 F535 A541 F543 V546 R550 F551 P568 F573L533-L548 HydrophobicContact CB-CB 4.25Å; L533-L548 HydrophobicContact CD2-CB 4.12Å; L533-L548 HydrophobicContact CG-CB 4.21Å; F535-L548 HydrophobicContact CD2-CD1 4.03Å; F535-L548 HydrophobicContact CE2-CD1 4.01Å; A541-L548 WeakPolarHBondContact O-CB 3.46Å; A541-L548 PolarHBondContact O-N 3.47Å; F543-L548 HydrophobicContact CB-CD2 3.94Å; V546-L548 PolarHBondContact O-N 3.23Å; L548-R550 PolarHBondContact O-N 3.3Å; L548-R550 VanDerWaalsContact O-N 3.08Å; L548-F551 HydrophobicContact CD2-CD2 4.13Å; L548-F551 WeakPolarHBondContact O-CB 3.44Å; L548-F551 PolarHBondContact O-N 2.97Å; L548-P568 HydrophobicContact CD2-CG 3.63Å; L548-F573 HydrophobicContact CD1-CD1 4.26Å; L548-F573 HydrophobicContact CD1-CE1 4.35Å; L548-F573 HydrophobicContact CD2-CE1 4.29Å
549K96Very high94.9Very high93 Ų9359.9 Ų59.940%0.40432%0.316SS..G310 helixtrans-55.4-27.9172.579.2-169176.5-179.80113.2Y531 N547 F551 V552Y531-K549 HydrophobicContact CE2-CB 4.28Å; Y531-K549 PolarHBondContact OH-O 2.93Å; Y531-K549 VanDerWaalsContact OH-O 3.13Å; N547-K549 HydrophobicContact CB-CD 4.38Å; N547-K549 HydrophobicContact CB-CG 4.2Å; N547-K549 PolarHBondContact O-N 3.37Å; N547-K549 VanDerWaalsContact O-N 3.08Å; N547-K549 WeakPolarHBondContact OD1-CB 3.35Å; N547-K549 WeakPolarHBondContact OD1-CD 3.4Å; N547-K549 WeakPolarHBondContact OD1-CG 3.3Å; N547-K549 PolarHBondContact OD1-N 2.7Å; K549-F551 PolarHBondContact O-N 3.18Å; K549-V552 PolarHBondContact O-N 2.82Å
550R96.3Very high95.2Very high37 Ų3754.4 Ų54.414%0.1429%0.289CS..G310 helixtrans-75.3-7.9179.9-62.9-175.556.6-169.7-10.9112.8V546 N547 L548 P614 L615 E617 N670V546-R550 HydrophobicContact CG1-CB 4.22Å; V546-R550 HydrophobicContact CG1-CG 4.49Å; N547-R550 WeakPolarHBondContact O-CB 3.38Å; N547-R550 PolarHBondContact O-N 3.04Å; L548-R550 PolarHBondContact O-N 3.3Å; L548-R550 VanDerWaalsContact O-N 3.08Å; R550-P614 HydrophobicContact CB-CB 3.81Å; R550-L615 VanDerWaalsContact CZ-O 3.26Å; R550-L615 PolarHBondContact NE-O 3.27Å; R550-L615 PolarHBondContact NH2-O 2.82Å; R550-L615 VanDerWaalsContact O-CB 3.27Å; R550-L615 WeakPolarHBondContact O-CB 3.16Å; R550-L615 VanDerWaalsContact O-CG 3.3Å; R550-L615 WeakPolarHBondContact O-CG 3.16Å; R550-L615 PolarHBondContact O-N 2.76Å; R550-E617 IonicContact NH1-OE2 3.31Å; R550-N670 VanDerWaalsContact NH2-CG 3.34Å; R550-N670 PolarHBondContact NH2-OD1 3.28Å
551F97.3Very high95.3Very high9 Ų948.5 Ų48.54%0.03926%0.261CS..G310 helixtrans-100.310.9174.2-65.9-83.3000112.5V546 L548 K549 V565 H566 P568 M612 P614V546-F551 HydrophobicContact CB-CE2 4.33Å; V546-F551 HydrophobicContact CG1-CE2 3.87Å; V546-F551 HydrophobicContact CG1-CZ 4.36Å; L548-F551 HydrophobicContact CD2-CD2 4.13Å; L548-F551 WeakPolarHBondContact O-CB 3.44Å; L548-F551 PolarHBondContact O-N 2.97Å; K549-F551 PolarHBondContact O-N 3.18Å; F551-V565 WeakPolarHBondContact O-CA 3.2Å; F551-H566 WeakPolarHBondContact CB-O 3.45Å; F551-H566 WeakPolarHBondContact CD1-O 3.37Å; F551-H566 PolarHBondContact O-N 3.34Å; F551-P568 HydrophobicContact CD1-CB 3.95Å; F551-P568 HydrophobicContact CD1-CG 4.47Å; F551-P568 HydrophobicContact CD2-CB 4.37Å; F551-P568 HydrophobicContact CD2-CG 4.29Å; F551-P568 HydrophobicContact CE1-CB 3.64Å; F551-P568 HydrophobicContact CE2-CB 4.06Å; F551-P568 HydrophobicContact CE2-CG 4.29Å; F551-P568 HydrophobicContact CG-CB 4.31Å; F551-P568 HydrophobicContact CG-CG 4.36Å; F551-P568 HydrophobicContact CZ-CB 3.68Å; F551-P568 HydrophobicContact CZ-CG 4.4Å; F551-M612 HydrophobicContact CD1-CB 4.37Å; F551-M612 HydrophobicContact CE1-CB 4.26Å; F551-P614 HydrophobicContact CE1-CB 4.03Å; F551-P614 HydrophobicContact CE2-CB 4.06Å; F551-P614 HydrophobicContact CZ-CB 3.73Å; F551-P614 HydrophobicContact CZ-CG 4.25Å
552V97.7Very high95.3Very high0 Ų047.8 Ų47.80%025%0.253CS..EExtended strand (participates in β ladder)trans-123127.1-179.9-174.50000110Y531 L533 K549 R564 V565 L615Y531-V552 HydrophobicContact CD1-CG1 4.47Å; Y531-V552 HydrophobicContact CD2-CB 4.08Å; Y531-V552 HydrophobicContact CD2-CG1 3.85Å; Y531-V552 HydrophobicContact CD2-CG2 4.18Å; Y531-V552 HydrophobicContact CE1-CG1 4.14Å; Y531-V552 HydrophobicContact CE2-CB 3.33Å; Y531-V552 HydrophobicContact CE2-CG1 3.48Å; Y531-V552 VanDerWaalsContact CE2-CG1 3.48Å; Y531-V552 HydrophobicContact CE2-CG2 3.71Å; Y531-V552 HydrophobicContact CG-CG1 4.33Å; Y531-V552 PolarHBondContact OH-O 3.22Å; L533-V552 HydrophobicContact CB-CG2 4.04Å; L533-V552 HydrophobicContact CD2-CG2 3.56Å; L533-V552 HydrophobicContact CG-CG2 4.35Å; K549-V552 PolarHBondContact O-N 2.82Å; V552-R564 CarbonylContact C-O 3.49Å; V552-R564 WeakPolarHBondContact CA-O 3.09Å; V552-V565 HydrophobicContact CG1-CG2 4.15Å; V552-V565 HydrophobicContact CG2-CB 4.49Å; V552-V565 HydrophobicContact CG2-CG1 4.28Å; V552-V565 HydrophobicContact CG2-CG2 3.91Å; V552-L615 WeakPolarHBondContact O-CD1 3.23Å
553M96.7Very high95.4Very high14 Ų1442.7 Ų42.77%0.06923%0.229CC..EExtended strand (participates in β ladder)trans-105104.1169.2-168.7-178.8-177.300109.2R564 L615 W623 A642 I643M553-R564 HydrophobicContact CB-CB 4.45Å; M553-R564 PolarHBondContact N-O 3.35Å; M553-R564 PolarHBondContact O-N 3.29Å; M553-L615 HydrophobicContact CB-CD1 4.07Å; M553-W623 HydrophobicContact CE-CB 3.85Å; M553-W623 HydrophobicContact CE-CG 4.12Å; M553-W623 HydrophobicContact CG-CB 4.47Å; M553-W623 HydrophobicContact CG-CG 4.05Å; M553-A642 HydrophobicContact CE-CB 3.66Å; M553-I643 HydrophobicContact CE-CD1 3.88Å; M553-I643 HydrophobicContact CE-CG1 3.46Å; M553-I643 VanDerWaalsContact CE-CG1 3.46Å; M553-I643 HydrophobicContact SD-CD1 3.99Å; M553-I643 HydrophobicContact SD-CG1 4.22Å
554Q96.9Very high95.5Very high1 Ų145.6 Ų45.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-85.6122.6166.9177.4-161.2-12.600109.4F529 Y531 I562 F563 E622 W623F529-Q554 PolarHBondContact O-NE2 2.84Å; Y531-Q554 HydrophobicContact CD1-CB 4.08Å; Y531-Q554 HydrophobicContact CE1-CB 3.68Å; Q554-I562 CarbonylContact C-O 3.6Å; Q554-I562 VanDerWaalsContact CA-O 3.26Å; Q554-I562 WeakPolarHBondContact CA-O 3.44Å; Q554-F563 HydrophobicContact CB-CD1 4.2Å; Q554-F563 HydrophobicContact CB-CE1 4.3Å; Q554-F563 HydrophobicContact CG-CD1 4.14Å; Q554-F563 HydrophobicContact CG-CE1 3.82Å; Q554-F563 HydrophobicContact CG-CZ 4.33Å; Q554-E622 HydrophobicContact CG-CB 4.2Å; Q554-E622 CarbonylContact O-C 3.59Å; Q554-E622 WeakPolarHBondContact O-CA 3.03Å; Q554-W623 VanDerWaalsContact O-CD1 3.3Å; Q554-W623 PolarHBondContact O-N 3.35Å
555S95.6Very high95.7Very high9 Ų939.9 Ų39.96%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-135.1162.5171.261.40000111I562S555-I562 PolarHBondContact N-O 2.81Å; S555-I562 PolarHBondContact O-N 2.83Å
556T93.3Very high95.9Very high7 Ų734.3 Ų34.34%0.04318%0.182CC..EExtended strand (participates in β ladder)trans-120.1116.8174.5-62.60000108.8M519 S560 E622 T626M519-T556 HydrophobicContact CE-CG2 4.01Å; T556-S560 WeakPolarHBondContact CA-O 3.23Å; T556-E622 PolarHBondContact OG1-OE2 2.88Å; T556-T626 HydrophobicContact CG2-CG2 3.83Å; T556-T626 PolarHBondContact O-OG1 3.26Å; T556-T626 VanDerWaalsContact O-OG1 3.14Å
557V91.1Very high96Very high85 Ų8532.8 Ų32.852%0.51517%0.172SC..EExtended strand (participates in β ladder)trans-118.1117.8179.4-178.20000108.2H559 S560 I562V557-H559 PolarHBondContact O-N 2.91Å; V557-H559 VanDerWaalsContact O-N 3.14Å; V557-S560 PolarHBondContact N-O 3.23Å; V557-S560 PolarHBondContact O-N 3.35Å; V557-I562 HydrophobicContact CB-CD1 4.01Å; V557-I562 HydrophobicContact CG2-CD1 3.87Å
558G90.3Very high96Very high57 Ų5731 Ų3159%0.58816%0.163SC*.THydrogen-bonded Turntrans57.4-117-172.300000111.3
559H92.8Very high96Very high98 Ų9832.3 Ų32.345%0.45417%0.173SC..THydrogen-bonded Turntrans-104.817.9178.6-57.9-60.9000113.2M519 T524 V557M519-H559 WeakPolarHBondContact CE-O 3.42Å; M519-H559 PolarHBondContact N-O 2.82Å; T524-H559 PolarHBondContact OG1-ND1 2.67Å; V557-H559 PolarHBondContact O-N 2.91Å; V557-H559 VanDerWaalsContact O-N 3.14Å
560S95.4Very high96Very high26 Ų2635.3 Ų35.318%0.18218%0.181CC..EExtended strand (participates in β ladder)trans-120.4125.9-175.4-50.80000111.3I517 N518 T556 V557I517-S560 CarbonylContact O-C 3.51Å; I517-S560 VanDerWaalsContact O-CA 3.27Å; I517-S560 WeakPolarHBondContact O-CA 3.41Å; N518-S560 PolarHBondContact OD1-OG 3.18Å; T556-S560 WeakPolarHBondContact CA-O 3.23Å; V557-S560 PolarHBondContact N-O 3.23Å; V557-S560 PolarHBondContact O-N 3.35Å
561A96.3Very high96Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-85.1121.216700000108.9A516 I517 M519 F529 F563A516-A561 WeakPolarHBondContact CA-O 3.33Å; I517-A561 PolarHBondContact N-O 2.93Å; I517-A561 PolarHBondContact O-N 3.2Å; M519-A561 HydrophobicContact CE-CB 4.21Å; F529-A561 HydrophobicContact CD2-CB 3.68Å; F529-A561 HydrophobicContact CE2-CB 3.55Å; F529-A561 HydrophobicContact CG-CB 4.31Å; F529-A561 HydrophobicContact CZ-CB 4.07Å; A561-F563 HydrophobicContact CB-CE2 4.06Å
562I97.7Very high96.1Very high21 Ų2136.6 Ų36.611%0.10820%0.198CC..EExtended strand (participates in β ladder)trans-115126.6-173.3-53.1178.2000108.9T514 A516 Q554 S555 V557 R564T514-I562 HydrophobicContact CG2-CG2 3.71Å; A516-I562 HydrophobicContact CB-CG1 4.18Å; Q554-I562 CarbonylContact C-O 3.6Å; Q554-I562 VanDerWaalsContact CA-O 3.26Å; Q554-I562 WeakPolarHBondContact CA-O 3.44Å; S555-I562 PolarHBondContact N-O 2.81Å; S555-I562 PolarHBondContact O-N 2.83Å; V557-I562 HydrophobicContact CB-CD1 4.01Å; V557-I562 HydrophobicContact CG2-CD1 3.87Å; I562-R564 HydrophobicContact CG2-CG 3.84Å
563F98.3Very high96.1Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-113.6101.1176.8-57.2-97.4000108.2T514 V515 I517 F529 Y531 Q554 A561 L575 I577T514-F563 WeakPolarHBondContact CA-O 3.18Å; V515-F563 PolarHBondContact N-O 2.82Å; V515-F563 PolarHBondContact O-N 3.06Å; I517-F563 HydrophobicContact CD1-CE2 4.1Å; F529-F563 HydrophobicContact CB-CE1 4.36Å; F529-F563 HydrophobicContact CB-CZ 3.79Å; F529-F563 HydrophobicContact CD1-CZ 4.06Å; F529-F563 HydrophobicContact CG-CZ 4.02Å; Y531-F563 AromaticContact CD1-CD1 3.96Å; Y531-F563 HydrophobicContact CD1-CD1 3.96Å; Y531-F563 AromaticContact CD1-CE1 3.9Å; Y531-F563 HydrophobicContact CD1-CE1 3.9Å; Y531-F563 HydrophobicContact CG-CD1 4.17Å; Y531-F563 HydrophobicContact CG-CE1 4.29Å; Q554-F563 HydrophobicContact CB-CD1 4.2Å; Q554-F563 HydrophobicContact CB-CE1 4.3Å; Q554-F563 HydrophobicContact CG-CD1 4.14Å; Q554-F563 HydrophobicContact CG-CE1 3.82Å; Q554-F563 HydrophobicContact CG-CZ 4.33Å; A561-F563 HydrophobicContact CB-CE2 4.06Å; F563-L575 HydrophobicContact CB-CD2 4.29Å; F563-I577 HydrophobicContact CD1-CD1 4.36Å; F563-I577 HydrophobicContact CD1-CG1 4.3Å; F563-I577 HydrophobicContact CD2-CD1 3.63Å; F563-I577 HydrophobicContact CD2-CG1 4.38Å; F563-I577 HydrophobicContact CE1-CD1 4.48Å; F563-I577 HydrophobicContact CE1-CG1 4.22Å; F563-I577 HydrophobicContact CE1-CG2 4.05Å; F563-I577 HydrophobicContact CE2-CD1 3.81Å; F563-I577 HydrophobicContact CE2-CG1 4.32Å; F563-I577 HydrophobicContact CE2-CG2 3.88Å; F563-I577 HydrophobicContact CG-CD1 3.94Å; F563-I577 HydrophobicContact CG-CG1 4.38Å; F563-I577 HydrophobicContact CZ-CB 4.49Å; F563-I577 HydrophobicContact CZ-CD1 4.23Å; F563-I577 HydrophobicContact CZ-CG1 4.23Å; F563-I577 HydrophobicContact CZ-CG2 3.48Å; F563-I577 VanDerWaalsContact CZ-CG2 3.48Å
564R97.6Very high96.2Very high116 Ų11636.1 Ų36.144%0.43820%0.195SC..EExtended strand (participates in β ladder)trans-97.5110175.9-57.1-172.8-169.3-144.11.2109.3T514 V552 M553 I562T514-R564 HydrophobicContact CG2-CG 4.05Å; V552-R564 CarbonylContact C-O 3.49Å; V552-R564 WeakPolarHBondContact CA-O 3.09Å; M553-R564 HydrophobicContact CB-CB 4.45Å; M553-R564 PolarHBondContact N-O 3.35Å; M553-R564 PolarHBondContact O-N 3.29Å; I562-R564 HydrophobicContact CG2-CG 3.84Å
565V98.2Very high96.2Very high1 Ų136 Ų361%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-96.2134.5175.9-1760000108.7A512 A513 L533 F551 V552 T567 L575 L603A512-V565 CarbonylContact C-O 3.47Å; A512-V565 VanDerWaalsContact CA-O 3.27Å; A512-V565 WeakPolarHBondContact CA-O 3.46Å; A513-V565 PolarHBondContact N-O 2.84Å; A513-V565 PolarHBondContact O-N 3.47Å; L533-V565 HydrophobicContact CD1-CG1 4.32Å; L533-V565 HydrophobicContact CD2-CG1 3.66Å; F551-V565 WeakPolarHBondContact O-CA 3.2Å; V552-V565 HydrophobicContact CG1-CG2 4.15Å; V552-V565 HydrophobicContact CG2-CB 4.49Å; V552-V565 HydrophobicContact CG2-CG1 4.28Å; V552-V565 HydrophobicContact CG2-CG2 3.91Å; V565-T567 HydrophobicContact CG1-CG2 4.34Å; V565-L575 HydrophobicContact CG2-CD1 4.41Å; V565-L575 HydrophobicContact CG2-CD2 4.15Å; V565-L603 HydrophobicContact CB-CD1 3.69Å; V565-L603 HydrophobicContact CG1-CD1 3.7Å; V565-L603 HydrophobicContact CG2-CD1 3.59Å
566H97.3Very high96.4Very high63 Ų6336.5 Ų36.529%0.29220%0.197SC..EExtended strand (participates in β ladder)trans-118.497.4169.1-61.186.5000108.9G511 F551 M612G511-H566 CarbonylContact O-C 3.55Å; G511-H566 WeakPolarHBondContact O-CA 3.3Å; F551-H566 WeakPolarHBondContact CB-O 3.45Å; F551-H566 WeakPolarHBondContact CD1-O 3.37Å; F551-H566 PolarHBondContact O-N 3.34Å; H566-M612 HydrophobicContact CB-CE 3.4Å; H566-M612 HydrophobicContact CB-CG 4.34Å; H566-M612 HydrophobicContact CB-SD 4.34Å
567T97.5Very high96.6Very high0 Ų036.1 Ų36.10%020%0.195CC..  trans-59.7129.7-172.255.90000111.5A507 G511 V565 C569 F573 C605A507-T567 HydrophobicContact CB-CG2 4.46Å; G511-T567 VanDerWaalsContact CA-OG1 3.22Å; G511-T567 WeakPolarHBondContact CA-OG1 3.38Å; G511-T567 PolarHBondContact O-N 2.7Å; G511-T567 PolarHBondContact O-OG1 3.34Å; V565-T567 HydrophobicContact CG1-CG2 4.34Å; T567-C569 VanDerWaalsContact C-N 3.3Å; T567-C569 PolarHBondContact O-N 2.81Å; T567-F573 HydrophobicContact CG2-CD2 3.56Å; T567-F573 HydrophobicContact CG2-CE2 3.5Å; T567-F573 HydrophobicContact CG2-CG 4.37Å; T567-F573 HydrophobicContact CG2-CZ 4.26Å; T567-C605 HydrophobicContact CG2-CB 4.11Å; T567-C605 WeakPolarHBondContact OG1-CB 3.33Å; T567-C605 PolarHBondContact OG1-SG 3.35Å; T567-C605 VanDerWaalsContact OG1-SG 3.34Å
568P96.7Very high96.9Very high13 Ų1333.6 Ų33.68%0.08418%0.177CC..SBendtrans-73.2-21.2-176.327.9-35.4000114.4F543 L548 F551 F573F543-P568 HydrophobicContact CB-CG 4.11Å; F543-P568 HydrophobicContact CD1-CB 3.54Å; F543-P568 HydrophobicContact CD1-CG 3.99Å; F543-P568 HydrophobicContact CE1-CB 3.8Å; F543-P568 HydrophobicContact CG-CB 4.05Å; F543-P568 HydrophobicContact CG-CG 3.97Å; L548-P568 HydrophobicContact CD2-CG 3.63Å; F551-P568 HydrophobicContact CD1-CB 3.95Å; F551-P568 HydrophobicContact CD1-CG 4.47Å; F551-P568 HydrophobicContact CD2-CB 4.37Å; F551-P568 HydrophobicContact CD2-CG 4.29Å; F551-P568 HydrophobicContact CE1-CB 3.64Å; F551-P568 HydrophobicContact CE2-CB 4.06Å; F551-P568 HydrophobicContact CE2-CG 4.29Å; F551-P568 HydrophobicContact CG-CB 4.31Å; F551-P568 HydrophobicContact CG-CG 4.36Å; F551-P568 HydrophobicContact CZ-CB 3.68Å; F551-P568 HydrophobicContact CZ-CG 4.4Å; P568-F573 HydrophobicContact CG-CE1 4.35Å; P568-F573 HydrophobicContact CG-CZ 4.39Å
569C96.1Very high97.1Very high29 Ų2930.9 Ų30.920%0.19615%0.149CC..SBendtrans-148.6169.3179.765.40000109.5F543 T567F543-C569 HydrophobicContact CE2-CB 3.79Å; F543-C569 HydrophobicContact CZ-CB 3.97Å; T567-C569 VanDerWaalsContact C-N 3.3Å; T567-C569 PolarHBondContact O-N 2.81Å
570R96.6Very high97.1Very high156 Ų15627.7 Ų27.759%0.58914%0.135SC*.SBendtrans-65148169.1-61.8176.4-171-176-0.8109.7C605 T606 L608R570-C605 WeakPolarHBondContact CA-O 3.47Å; R570-T606 WeakPolarHBondContact CD-O 3.48Å; R570-L608 HydrophobicContact CG-CB 4.03Å
571G96.8Very high96.9Very high27 Ų2728.9 Ų28.928%0.27815%0.146SC..EExtended strand (participates in β ladder)trans134.8-171.5178.900000113.1C605G571-C605 PolarHBondContact N-O 3.24Å; G571-C605 PolarHBondContact O-N 2.77Å
572D98.1Very high96.5Very high46 Ų4629 Ų2925%0.24615%0.147CC..EExtended strand (participates in β ladder)trans-108.3135.5-174.1-66.2-6.7000110.1Y536 K602 L603Y536-D572 WeakPolarHBondContact CB-O 3.13Å; Y536-D572 HydrophobicContact CG-CB 4.19Å; Y536-D572 PolarHBondContact N-O 2.86Å; D572-K602 WeakPolarHBondContact OD2-CE 3.48Å; D572-K602 IonicContact OD2-NZ 3.74Å; D572-K602 PolarHBondContact OD2-NZ 3.48Å; D572-L603 CarbonylContact C-O 3.42Å; D572-L603 WeakPolarHBondContact CA-O 3.49Å
573F98.5Very high96Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-127151.1-179.3-55.9-97000110.6L533 R534 F535 L548 T567 P568 K602 L603L533-F573 HydrophobicContact CD1-CB 3.86Å; R534-F573 CarbonylContact O-C 3.55Å; R534-F573 VanDerWaalsContact O-CA 3.26Å; R534-F573 WeakPolarHBondContact O-CA 3.23Å; R534-F573 WeakPolarHBondContact O-CB 3.44Å; F535-F573 HydrophobicContact CD1-CD1 4.04Å; F535-F573 AromaticContact CD1-CE1 3.67Å; F535-F573 HydrophobicContact CD1-CE1 3.67Å; F535-F573 HydrophobicContact CD1-CZ 4.23Å; F535-F573 HydrophobicContact CE1-CD1 4.19Å; F535-F573 AromaticContact CE1-CE1 3.37Å; F535-F573 HydrophobicContact CE1-CE1 3.37Å; F535-F573 AromaticContact CE1-CZ 3.76Å; F535-F573 HydrophobicContact CE1-CZ 3.76Å; F535-F573 HydrophobicContact CZ-CE1 4.02Å; L548-F573 HydrophobicContact CD1-CD1 4.26Å; L548-F573 HydrophobicContact CD1-CE1 4.35Å; L548-F573 HydrophobicContact CD2-CE1 4.29Å; T567-F573 HydrophobicContact CG2-CD2 3.56Å; T567-F573 HydrophobicContact CG2-CE2 3.5Å; T567-F573 HydrophobicContact CG2-CG 4.37Å; T567-F573 HydrophobicContact CG2-CZ 4.26Å; P568-F573 HydrophobicContact CG-CE1 4.35Å; P568-F573 HydrophobicContact CG-CZ 4.39Å; F573-K602 CarbonylContact O-C 3.44Å; F573-K602 WeakPolarHBondContact O-CA 3.13Å; F573-L603 HydrophobicContact CB-CB 4.25Å; F573-L603 PolarHBondContact N-O 2.65Å; F573-L603 PolarHBondContact O-N 2.88Å
574L98.4Very high95.2Very high3 Ų331.9 Ų31.92%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-108.2115.7171.3-174.572.7000109.6P386 L533 R534 Y536 K600P386-L574 HydrophobicContact CG-CD1 4.07Å; L533-L574 WeakPolarHBondContact CA-O 3.45Å; R534-L574 HydrophobicContact CG-CB 4.16Å; R534-L574 PolarHBondContact N-O 3.01Å; R534-L574 PolarHBondContact O-N 2.86Å; Y536-L574 HydrophobicContact CD2-CB 4.21Å; Y536-L574 HydrophobicContact CD2-CD1 4.29Å; Y536-L574 HydrophobicContact CE2-CD1 4.27Å; L574-K600 HydrophobicContact CD1-CB 4.42Å
575L98.5Very high94.5Very high0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-94.7116.5169178.464.8000109V515 Y531 L533 F563 V565 I577 K600 F601 L603V515-L575 HydrophobicContact CB-CD2 4.32Å; V515-L575 HydrophobicContact CG2-CD2 3.98Å; Y531-L575 HydrophobicContact CD2-CD1 4.49Å; L533-L575 HydrophobicContact CD1-CB 4.24Å; L533-L575 HydrophobicContact CD1-CD1 4.49Å; F563-L575 HydrophobicContact CB-CD2 4.29Å; V565-L575 HydrophobicContact CG2-CD1 4.41Å; V565-L575 HydrophobicContact CG2-CD2 4.15Å; L575-I577 HydrophobicContact CD1-CG1 4.42Å; L575-I577 HydrophobicContact CD2-CD1 4.1Å; L575-I577 HydrophobicContact CD2-CG1 4.34Å; L575-I577 HydrophobicContact CG-CD1 4.35Å; L575-I577 HydrophobicContact CG-CG1 4.07Å; L575-K600 CarbonylContact O-C 3.52Å; L575-K600 VanDerWaalsContact O-CA 3.23Å; L575-K600 WeakPolarHBondContact O-CA 3.46Å; L575-F601 PolarHBondContact N-O 2.84Å; L575-F601 PolarHBondContact O-N 3.44Å; L575-L603 HydrophobicContact CB-CD1 4.1Å; L575-L603 HydrophobicContact CB-CD2 4.5Å; L575-L603 HydrophobicContact CB-CG 4.25Å
576D98Very high93.8Very high18 Ų1833.7 Ų33.710%0.09619%0.193CC..EExtended strand (participates in β ladder)trans-112.2118.7175.1-166.9-8.7000108.8Y531 N532 F578 S597 K600Y531-D576 CarbonylContact C-O 3.46Å; Y531-D576 WeakPolarHBondContact CA-O 3.42Å; N532-D576 HydrophobicContact CB-CB 4.46Å; N532-D576 PolarHBondContact N-O 2.95Å; N532-D576 PolarHBondContact O-N 2.64Å; D576-F578 HydrophobicContact CB-CE2 3.73Å; D576-F578 HydrophobicContact CB-CZ 4.09Å; D576-F578 VanDerWaalsContact CG-CE2 3.45Å; D576-F578 WeakPolarHBondContact O-CD2 3.46Å; D576-F578 VanDerWaalsContact O-CE2 3.29Å; D576-F578 WeakPolarHBondContact O-CE2 3.36Å; D576-F578 WeakPolarHBondContact OD2-CZ 3.27Å; D576-S597 WeakPolarHBondContact OD1-CB 3.42Å; D576-S597 PolarHBondContact OD1-OG 3.24Å; D576-K600 HydrophobicContact CB-CD 4.35Å; D576-K600 HydrophobicContact CB-CG 4.17Å; D576-K600 VanDerWaalsContact CG-CE 3.46Å; D576-K600 WeakPolarHBondContact OD1-CE 3.25Å; D576-K600 WeakPolarHBondContact OD1-CG 3.47Å; D576-K600 IonicContact OD1-NZ 3.78Å; D576-K600 WeakPolarHBondContact OD2-CE 3.41Å; D576-K600 IonicContact OD2-NZ 3.49Å; D576-K600 PolarHBondContact OD2-NZ 2.67Å
577I98.4Very high93.2Very high0 Ų032.5 Ų32.50%019%0.187CC..EExtended strand (participates in β ladder)trans-105.6133.8-176.5-61.3168.7000108.4V515 I517 F529 F563 L575 V598 C599V515-I577 HydrophobicContact CB-CD1 4.47Å; V515-I577 HydrophobicContact CG1-CD1 3.92Å; I517-I577 HydrophobicContact CD1-CD1 3.89Å; I517-I577 HydrophobicContact CD1-CG2 4Å; F529-I577 HydrophobicContact CD1-CG2 3.89Å; F563-I577 HydrophobicContact CD1-CD1 4.36Å; F563-I577 HydrophobicContact CD1-CG1 4.3Å; F563-I577 HydrophobicContact CD2-CD1 3.63Å; F563-I577 HydrophobicContact CD2-CG1 4.38Å; F563-I577 HydrophobicContact CE1-CD1 4.48Å; F563-I577 HydrophobicContact CE1-CG1 4.22Å; F563-I577 HydrophobicContact CE1-CG2 4.05Å; F563-I577 HydrophobicContact CE2-CD1 3.81Å; F563-I577 HydrophobicContact CE2-CG1 4.32Å; F563-I577 HydrophobicContact CE2-CG2 3.88Å; F563-I577 HydrophobicContact CG-CD1 3.94Å; F563-I577 HydrophobicContact CG-CG1 4.38Å; F563-I577 HydrophobicContact CZ-CB 4.49Å; F563-I577 HydrophobicContact CZ-CD1 4.23Å; F563-I577 HydrophobicContact CZ-CG1 4.23Å; F563-I577 HydrophobicContact CZ-CG2 3.48Å; F563-I577 VanDerWaalsContact CZ-CG2 3.48Å; L575-I577 HydrophobicContact CD1-CG1 4.42Å; L575-I577 HydrophobicContact CD2-CD1 4.1Å; L575-I577 HydrophobicContact CD2-CG1 4.34Å; L575-I577 HydrophobicContact CG-CD1 4.35Å; L575-I577 HydrophobicContact CG-CG1 4.07Å; I577-V598 HydrophobicContact CB-CG2 4.41Å; I577-V598 HydrophobicContact CG2-CG2 3.97Å; I577-V598 VanDerWaalsContact O-CG2 3.31Å; I577-V598 WeakPolarHBondContact O-CG2 3.31Å; I577-V598 PolarHBondContact O-N 3.32Å; I577-C599 PolarHBondContact N-O 2.9Å; I577-C599 PolarHBondContact O-N 2.88Å
578F97.4Very high92.4Very high31 Ų3133 Ų3314%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-122.9152.4-177.8-53-111.5000110.2F529 H530 N532 D576 F595 K596 S597F529-F578 VanDerWaalsContact CA-O 3.27Å; F529-F578 WeakPolarHBondContact CA-O 3.22Å; F529-F578 WeakPolarHBondContact CD1-O 3.04Å; H530-F578 HydrophobicContact CB-CB 4.35Å; H530-F578 PolarHBondContact N-O 2.9Å; H530-F578 PolarHBondContact O-N 2.86Å; N532-F578 HydrophobicContact CB-CE2 4.13Å; D576-F578 HydrophobicContact CB-CE2 3.73Å; D576-F578 HydrophobicContact CB-CZ 4.09Å; D576-F578 VanDerWaalsContact CG-CE2 3.45Å; D576-F578 WeakPolarHBondContact O-CD2 3.46Å; D576-F578 VanDerWaalsContact O-CE2 3.29Å; D576-F578 WeakPolarHBondContact O-CE2 3.36Å; D576-F578 WeakPolarHBondContact OD2-CZ 3.27Å; F578-F595 HydrophobicContact CB-CB 3.74Å; F578-F595 HydrophobicContact CB-CD1 4.44Å; F578-F595 HydrophobicContact CB-CG 4.5Å; F578-F595 HydrophobicContact CD1-CB 4.48Å; F578-F595 HydrophobicContact CG-CB 4.41Å; F578-K596 CarbonylContact C-O 3.48Å; F578-K596 WeakPolarHBondContact CA-O 3.43Å; F578-K596 WeakPolarHBondContact CB-O 3.31Å; F578-K596 VanDerWaalsContact CD1-C 3.49Å; F578-S597 VanDerWaalsContact CD1-CA 3.47Å
579A95.4Very high91.6Very high0 Ų035.8 Ų35.80%021%0.206CC..EExtended strand (participates in β ladder)trans-136.4156.617500000111.9Y492 L527 I528 F529 K596 V598Y492-A579 HydrophobicContact CD2-CB 4.03Å; Y492-A579 HydrophobicContact CE2-CB 3.84Å; L527-A579 HydrophobicContact CD1-CB 4.07Å; L527-A579 HydrophobicContact CG-CB 4.34Å; I528-A579 VanDerWaalsContact O-CA 3.31Å; I528-A579 WeakPolarHBondContact O-CA 3.18Å; F529-A579 HydrophobicContact CD1-CB 3.92Å; F529-A579 HydrophobicContact CE1-CB 3.92Å; A579-K596 PolarHBondContact N-O 2.76Å; A579-K596 PolarHBondContact O-N 3.11Å; A579-V598 HydrophobicContact CB-CG1 3.72Å; A579-V598 HydrophobicContact CB-CG2 4.36Å
580N92.9Very high90.6Very high32 Ų3236.3 Ų36.317%0.17122%0.216CC..EExtended strand (participates in β ladder)trans-146.2138.1170.2-169.113.2000109.4I528 V582 K594 F595I528-N580 HydrophobicContact CG1-CB 4.21Å; I528-N580 WeakPolarHBondContact CG1-O 3.43Å; I528-N580 PolarHBondContact N-O 2.75Å; I528-N580 PolarHBondContact O-N 3.32Å; N580-V582 HydrophobicContact CB-CG2 4.09Å; N580-V582 VanDerWaalsContact ND2-CG2 3.32Å; N580-V582 WeakPolarHBondContact ND2-CG2 3.3Å; N580-K594 VanDerWaalsContact CG-O 3.31Å; N580-K594 PolarHBondContact ND2-O 2.95Å; N580-F595 HydrophobicContact CB-CD1 3.89Å; N580-F595 HydrophobicContact CB-CE1 4.09Å; N580-F595 HydrophobicContact CB-CG 4.42Å
581A90.5Very high89.8Confident50 Ų5035.5 Ų35.541%0.41322%0.219SC..EExtended strand (participates in β ladder)trans-89.4117171.600000108.6Y492 L527Y492-A581 HydrophobicContact CE1-CB 4.02Å; L527-A581 HydrophobicContact CD1-CB 4.34Å
582V87.9Confident89.1Confident3 Ų340.2 Ų40.22%0.01825%0.245CC..  trans-134.7127.8-173.9-174.40000109N526 I528 N580 E586 Y587 L593N526-V582 WeakPolarHBondContact CA-O 3.22Å; N526-V582 PolarHBondContact O-N 3.49Å; N526-V582 VanDerWaalsContact O-O 3.07Å; I528-V582 HydrophobicContact CD1-CB 4.24Å; I528-V582 HydrophobicContact CD1-CG2 3.67Å; I528-V582 HydrophobicContact CG1-CG2 4.01Å; N580-V582 HydrophobicContact CB-CG2 4.09Å; N580-V582 VanDerWaalsContact ND2-CG2 3.32Å; N580-V582 WeakPolarHBondContact ND2-CG2 3.3Å; V582-E586 HydrophobicContact CG1-CB 3.75Å; V582-Y587 HydrophobicContact CG1-CD2 4.21Å; V582-L593 HydrophobicContact CG1-CD2 3.93Å; V582-L593 HydrophobicContact CG2-CD1 4.38Å; V582-L593 HydrophobicContact CG2-CD2 4.01Å
583S86.1Confident88.5Confident44 Ų4440.6 Ų40.631%0.30825%0.247SC..  trans-71.4154.1173.565.70000111.2G585 E586 Y587S583-G585 PolarHBondContact O-N 3.38Å; S583-E586 PolarHBondContact N-OE2 2.67Å; S583-E586 PolarHBondContact O-N 3.4Å; S583-E586 VanDerWaalsContact O-N 3.15Å; S583-E586 WeakPolarHBondContact OG-CB 3.28Å; S583-E586 WeakPolarHBondContact OG-CG 3.14Å; S583-E586 PolarHBondContact OG-N 3.14Å; S583-E586 PolarHBondContact OG-OE2 2.98Å; S583-Y587 PolarHBondContact O-N 2.75Å
584P82.1Confident88Confident38 Ų3847.4 Ų47.425%0.24728%0.277CS..Hα-helixtrans-53.2-37.9174.7-28.335.2000113.6Y587 L588 L631P584-Y587 PolarHBondContact O-N 2.91Å; P584-L588 VanDerWaalsContact O-CG 3.27Å; P584-L588 WeakPolarHBondContact O-CG 3.45Å; P584-L588 PolarHBondContact O-N 2.85Å; P584-L631 HydrophobicContact CG-CD2 4.21Å
585G82.9Confident87.7Confident45 Ų4550.3 Ų50.346%0.46429%0.289SS..Hα-helixtrans-65.5-45.1177.700000112.8S583 Y587 L588 T589S583-G585 PolarHBondContact O-N 3.38Å; G585-Y587 VanDerWaalsContact C-N 3.35Å; G585-L588 PolarHBondContact O-N 3.38Å; G585-T589 WeakPolarHBondContact O-CG2 3.29Å; G585-T589 PolarHBondContact O-N 3.49Å
586E83.9Confident87.4Confident109 Ų10955 Ų5551%0.50931%0.309SS..Hα-helixtrans-64-40.2175.9-72.5162.4159.500111.7V582 S583 L588 T589V582-E586 HydrophobicContact CG1-CB 3.75Å; S583-E586 PolarHBondContact N-OE2 2.67Å; S583-E586 PolarHBondContact O-N 3.4Å; S583-E586 VanDerWaalsContact O-N 3.15Å; S583-E586 WeakPolarHBondContact OG-CB 3.28Å; S583-E586 WeakPolarHBondContact OG-CG 3.14Å; S583-E586 PolarHBondContact OG-N 3.14Å; S583-E586 PolarHBondContact OG-OE2 2.98Å; E586-L588 VanDerWaalsContact C-N 3.32Å; E586-L588 PolarHBondContact O-N 2.82Å; E586-T589 WeakPolarHBondContact O-CB 3.32Å; E586-T589 WeakPolarHBondContact O-CG2 3.47Å; E586-T589 PolarHBondContact O-N 3.48Å; E586-T589 PolarHBondContact O-OG1 2.81Å
587Y83.9Confident87.2Confident39 Ų3954.9 Ų54.915%0.15331%0.31CS..Hα-helixtrans-60.9-42.3179.6-163.6-91000112.1I528 V582 S583 P584 G585 T589 G590 L593 K627 L631 F632 T731I528-Y587 HydrophobicContact CD1-CD2 4.22Å; I528-Y587 HydrophobicContact CD1-CE2 3.98Å; V582-Y587 HydrophobicContact CG1-CD2 4.21Å; S583-Y587 PolarHBondContact O-N 2.75Å; P584-Y587 PolarHBondContact O-N 2.91Å; G585-Y587 VanDerWaalsContact C-N 3.35Å; Y587-T589 PolarHBondContact O-N 3.14Å; Y587-G590 PolarHBondContact O-N 3Å; Y587-L593 HydrophobicContact CD2-CD1 3.6Å; Y587-L593 HydrophobicContact CE2-CD1 3.48Å; Y587-L593 VanDerWaalsContact CE2-CD1 3.48Å; Y587-K627 WeakPolarHBondContact OH-CE 3.46Å; Y587-K627 PolarHBondContact OH-NZ 3.17Å; Y587-L631 HydrophobicContact CD1-CB 4.49Å; Y587-L631 HydrophobicContact CD1-CD1 3.97Å; Y587-L631 HydrophobicContact CD2-CD1 3.78Å; Y587-L631 HydrophobicContact CE1-CD1 4.2Å; Y587-L631 HydrophobicContact CE2-CD1 4.02Å; Y587-L631 HydrophobicContact CG-CD1 3.78Å; Y587-F632 HydrophobicContact CD1-CE2 4.02Å; Y587-F632 HydrophobicContact CD1-CZ 4.03Å; Y587-F632 AromaticContact CE1-CE2 3.9Å; Y587-F632 HydrophobicContact CE1-CE2 3.9Å; Y587-F632 AromaticContact CE1-CZ 3.93Å; Y587-F632 HydrophobicContact CE1-CZ 3.93Å; Y587-T731 HydrophobicContact CD1-CG2 4.24Å; Y587-T731 HydrophobicContact CE1-CG2 3.85Å
588L80.8Confident87.2Confident9 Ų954.9 Ų54.95%0.04731%0.31CS..Hα-helixtrans-70.7-14.8-178.8-72.1170.4000113.9P584 G585 E586 G590 F632 E710P584-L588 VanDerWaalsContact O-CG 3.27Å; P584-L588 WeakPolarHBondContact O-CG 3.45Å; P584-L588 PolarHBondContact O-N 2.85Å; G585-L588 PolarHBondContact O-N 3.38Å; E586-L588 VanDerWaalsContact C-N 3.32Å; E586-L588 PolarHBondContact O-N 2.82Å; L588-G590 PolarHBondContact O-N 2.81Å; L588-F632 HydrophobicContact CD2-CD1 3.66Å; L588-F632 HydrophobicContact CD2-CE1 3.35Å; L588-F632 HydrophobicContact CD2-CZ 4.01Å; L588-E710 HydrophobicContact CD1-CB 4.31Å
589T79.7Confident87.2Confident72 Ų7253.4 Ų53.444%0.44230%0.304SS..THydrogen-bonded Turntrans-64.7-21173.369.40000112.7G585 E586 Y587 Q591G585-T589 WeakPolarHBondContact O-CG2 3.29Å; G585-T589 PolarHBondContact O-N 3.49Å; E586-T589 WeakPolarHBondContact O-CB 3.32Å; E586-T589 WeakPolarHBondContact O-CG2 3.47Å; E586-T589 PolarHBondContact O-N 3.48Å; E586-T589 PolarHBondContact O-OG1 2.81Å; Y587-T589 PolarHBondContact O-N 3.14Å; T589-Q591 PolarHBondContact O-N 2.74Å; T589-Q591 WeakPolarHBondContact OG1-CB 3.39Å; T589-Q591 WeakPolarHBondContact OG1-CG 3.33Å; T589-Q591 PolarHBondContact OG1-N 2.95Å
590G75.1Confident87.3Confident40 Ų4055 Ų5541%0.41231%0.311SS..  trans69.17.3-173.900000114Y587 L588Y587-G590 PolarHBondContact O-N 3Å; L588-G590 PolarHBondContact O-N 2.81Å
591Q79.7Confident87.6Confident139 Ų13953.4 Ų53.465%0.6530%0.302SS*.PPolyproline II helixtrans-64.7147.2176.5-71.2-171.7-4.600111.3T589 L593T589-Q591 PolarHBondContact O-N 2.74Å; T589-Q591 WeakPolarHBondContact OG1-CB 3.39Å; T589-Q591 WeakPolarHBondContact OG1-CG 3.33Å; T589-Q591 PolarHBondContact OG1-N 2.95Å; Q591-L593 PolarHBondContact O-N 2.84Å
592P82.9Confident88Confident127 Ų12752.6 Ų52.683%0.82529%0.289SS*.PPolyproline II helixtrans-56.5123176.1-25.234.4000112.1
593L85.9Confident88.5Confident54 Ų5452.4 Ų52.428%0.28329%0.288SS..PPolyproline II helixtrans-87132.7180-58174.2000110.1I528 V582 Y587 Q591 F595I528-L593 HydrophobicContact CD1-CD1 3.43Å; I528-L593 VanDerWaalsContact CD1-CD1 3.43Å; V582-L593 HydrophobicContact CG1-CD2 3.93Å; V582-L593 HydrophobicContact CG2-CD1 4.38Å; V582-L593 HydrophobicContact CG2-CD2 4.01Å; Y587-L593 HydrophobicContact CD2-CD1 3.6Å; Y587-L593 HydrophobicContact CE2-CD1 3.48Å; Y587-L593 VanDerWaalsContact CE2-CD1 3.48Å; Q591-L593 PolarHBondContact O-N 2.84Å; L593-F595 HydrophobicContact CB-CD2 4.37Å; L593-F595 HydrophobicContact CB-CE2 3.81Å; L593-F595 HydrophobicContact CB-CZ 4.38Å; L593-F595 PolarHBondContact O-N 2.86Å
594K87.8Confident89.1Confident143 Ų14351.8 Ų51.862%0.62228%0.282SS*.  trans-91102.9178.8-67.6-173.9-178.8-178.50110.5N580N580-K594 VanDerWaalsContact CG-O 3.31Å; N580-K594 PolarHBondContact ND2-O 2.95Å
595F92.4Very high89.8Confident63 Ų6350.1 Ų50.128%0.27627%0.272SS..  trans-86.6141174.8-69.5-88.8000111.4I528 H530 F578 N580 L593I528-F595 HydrophobicContact CB-CE1 4.43Å; I528-F595 HydrophobicContact CD1-CE1 3.76Å; I528-F595 HydrophobicContact CD1-CZ 3.49Å; I528-F595 VanDerWaalsContact CD1-CZ 3.49Å; I528-F595 HydrophobicContact CG1-CE1 3.74Å; I528-F595 HydrophobicContact CG1-CZ 4.02Å; H530-F595 HydrophobicContact CB-CB 4.41Å; H530-F595 HydrophobicContact CB-CD1 3.62Å; H530-F595 HydrophobicContact CB-CD2 4.12Å; H530-F595 HydrophobicContact CB-CE1 3.76Å; H530-F595 HydrophobicContact CB-CE2 4.25Å; H530-F595 HydrophobicContact CB-CG 3.8Å; H530-F595 HydrophobicContact CB-CZ 4.07Å; F578-F595 HydrophobicContact CB-CB 3.74Å; F578-F595 HydrophobicContact CB-CD1 4.44Å; F578-F595 HydrophobicContact CB-CG 4.5Å; F578-F595 HydrophobicContact CD1-CB 4.48Å; F578-F595 HydrophobicContact CG-CB 4.41Å; N580-F595 HydrophobicContact CB-CD1 3.89Å; N580-F595 HydrophobicContact CB-CE1 4.09Å; N580-F595 HydrophobicContact CB-CG 4.42Å; L593-F595 HydrophobicContact CB-CD2 4.37Å; L593-F595 HydrophobicContact CB-CE2 3.81Å; L593-F595 HydrophobicContact CB-CZ 4.38Å; L593-F595 PolarHBondContact O-N 2.86Å
596K91.9Very high90.5Very high98 Ų9853.2 Ų53.243%0.42628%0.282SS..EExtended strand (participates in β ladder)trans-120.7139.7174.1-67.4179.2-179.1174.40109.5L488 F578 A579 V598L488-K596 HydrophobicContact CD1-CB 3.27Å; L488-K596 HydrophobicContact CD1-CD 3.62Å; L488-K596 HydrophobicContact CD1-CG 4.08Å; F578-K596 CarbonylContact C-O 3.48Å; F578-K596 WeakPolarHBondContact CA-O 3.43Å; F578-K596 WeakPolarHBondContact CB-O 3.31Å; F578-K596 VanDerWaalsContact CD1-C 3.49Å; A579-K596 PolarHBondContact N-O 2.76Å; A579-K596 PolarHBondContact O-N 3.11Å; K596-V598 PolarHBondContact O-N 3.22Å
597S94.7Very high91.1Very high16 Ų1651.1 Ų51.111%0.11227%0.272CS..EExtended strand (participates in β ladder)trans-60.3133.2-179.4176.10000109R486 D576 F578R486-S597 VanDerWaalsContact CD-O 3.31Å; R486-S597 WeakPolarHBondContact CD-O 3.42Å; D576-S597 WeakPolarHBondContact OD1-CB 3.42Å; D576-S597 PolarHBondContact OD1-OG 3.24Å; F578-S597 VanDerWaalsContact CD1-CA 3.47Å
598V97Very high91.7Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-111.3-37.7176.5-670000111.4V485 R486 L488 F489 Y492 L494 I577 A579 K596V485-V598 CarbonylContact C-O 3.53Å; V485-V598 WeakPolarHBondContact CA-O 3.38Å; R486-V598 PolarHBondContact N-O 3Å; L488-V598 HydrophobicContact CB-CG1 3.9Å; F489-V598 HydrophobicContact CB-CB 4.4Å; Y492-V598 HydrophobicContact CD2-CG1 4.1Å; Y492-V598 HydrophobicContact CE2-CG1 4.22Å; L494-V598 HydrophobicContact CD1-CB 4.47Å; L494-V598 HydrophobicContact CD1-CG2 4.39Å; I577-V598 HydrophobicContact CB-CG2 4.41Å; I577-V598 HydrophobicContact CG2-CG2 3.97Å; I577-V598 VanDerWaalsContact O-CG2 3.31Å; I577-V598 WeakPolarHBondContact O-CG2 3.31Å; I577-V598 PolarHBondContact O-N 3.32Å; A579-V598 HydrophobicContact CB-CG1 3.72Å; A579-V598 HydrophobicContact CB-CG2 4.36Å; K596-V598 PolarHBondContact O-N 3.22Å
599C98.2Very high92.3Very high0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-156.4160.9176.763.20000112.9F484 V485 F489 F496 I577 F601F484-C599 CarbonylContact O-C 3.58Å; F484-C599 WeakPolarHBondContact O-CA 3.44Å; F484-C599 WeakPolarHBondContact O-CB 3.22Å; V485-C599 HydrophobicContact CG1-CB 4.02Å; F489-C599 HydrophobicContact CD2-CB 4.23Å; F496-C599 HydrophobicContact CZ-CB 4.35Å; I577-C599 PolarHBondContact N-O 2.9Å; I577-C599 PolarHBondContact O-N 2.88Å; C599-F601 HydrophobicContact CB-CE2 4.35Å
600K98.2Very high92.9Very high33 Ų3355.1 Ų55.114%0.14330%0.296CS..EExtended strand (participates in β ladder)trans-137.8148.6178-52.2-171.7-169.6-144.50112.2P386 F484 L574 L575 D576P386-K600 HydrophobicContact CG-CB 3.7Å; P386-K600 WeakPolarHBondContact CG-O 3.35Å; F484-K600 HydrophobicContact CB-CB 4.11Å; F484-K600 HydrophobicContact CD1-CB 3.86Å; F484-K600 HydrophobicContact CD1-CD 4Å; F484-K600 HydrophobicContact CD1-CG 3.65Å; F484-K600 HydrophobicContact CE1-CD 4.09Å; F484-K600 HydrophobicContact CE1-CG 4.09Å; F484-K600 HydrophobicContact CG-CB 4.24Å; F484-K600 HydrophobicContact CG-CG 4.45Å; F484-K600 PolarHBondContact O-N 3.4Å; L574-K600 HydrophobicContact CD1-CB 4.42Å; L575-K600 CarbonylContact O-C 3.52Å; L575-K600 VanDerWaalsContact O-CA 3.23Å; L575-K600 WeakPolarHBondContact O-CA 3.46Å; D576-K600 HydrophobicContact CB-CD 4.35Å; D576-K600 HydrophobicContact CB-CG 4.17Å; D576-K600 VanDerWaalsContact CG-CE 3.46Å; D576-K600 WeakPolarHBondContact OD1-CE 3.25Å; D576-K600 WeakPolarHBondContact OD1-CG 3.47Å; D576-K600 IonicContact OD1-NZ 3.78Å; D576-K600 WeakPolarHBondContact OD2-CE 3.41Å; D576-K600 IonicContact OD2-NZ 3.49Å; D576-K600 PolarHBondContact OD2-NZ 2.67Å
601F98.7Very high93.6Very high0 Ų060.6 Ų60.60%031%0.314CS..EExtended strand (participates in β ladder)trans-135.7142.4176.9-66.6-87.6000111.1P483 F496 I501 Q502 A503 V505 V515 L575 C599 L603P483-F601 HydrophobicContact CB-CE1 3.82Å; P483-F601 HydrophobicContact CB-CZ 3.93Å; P483-F601 HydrophobicContact CG-CE1 3.97Å; P483-F601 HydrophobicContact CG-CZ 4.32Å; F496-F601 HydrophobicContact CD1-CZ 4.1Å; F496-F601 AromaticContact CE1-CE2 3.91Å; F496-F601 HydrophobicContact CE1-CE2 3.91Å; F496-F601 AromaticContact CE1-CZ 3.47Å; F496-F601 HydrophobicContact CE1-CZ 3.47Å; F496-F601 VanDerWaalsContact CE1-CZ 3.47Å; F496-F601 HydrophobicContact CZ-CE2 4.4Å; F496-F601 AromaticContact CZ-CZ 3.8Å; F496-F601 HydrophobicContact CZ-CZ 3.8Å; I501-F601 HydrophobicContact CD1-CD1 4.46Å; I501-F601 HydrophobicContact CD1-CE1 3.77Å; I501-F601 HydrophobicContact CD1-CZ 4.04Å; I501-F601 HydrophobicContact CG1-CE1 3.94Å; I501-F601 HydrophobicContact CG2-CE1 4.33Å; I501-F601 HydrophobicContact CG2-CZ 4.47Å; Q502-F601 VanDerWaalsContact O-CD1 3.31Å; Q502-F601 WeakPolarHBondContact O-CD1 3Å; Q502-F601 WeakPolarHBondContact O-CE1 3.47Å; A503-F601 WeakPolarHBondContact O-CA 3.48Å; V505-F601 HydrophobicContact CG2-CB 4.25Å; V505-F601 HydrophobicContact CG2-CD1 3.64Å; V505-F601 HydrophobicContact CG2-CE1 4.35Å; V505-F601 HydrophobicContact CG2-CG 4.21Å; V515-F601 HydrophobicContact CB-CE2 4.48Å; V515-F601 HydrophobicContact CG1-CD2 3.89Å; V515-F601 HydrophobicContact CG1-CE2 3.46Å; V515-F601 VanDerWaalsContact CG1-CE2 3.46Å; V515-F601 HydrophobicContact CG1-CZ 3.94Å; V515-F601 HydrophobicContact CG2-CB 4.47Å; V515-F601 HydrophobicContact CG2-CD1 4.45Å; V515-F601 HydrophobicContact CG2-CD2 3.87Å; V515-F601 HydrophobicContact CG2-CE2 4.2Å; V515-F601 HydrophobicContact CG2-CG 4Å; L575-F601 PolarHBondContact N-O 2.84Å; L575-F601 PolarHBondContact O-N 3.44Å; C599-F601 HydrophobicContact CB-CE2 4.35Å; F601-L603 HydrophobicContact CB-CD2 4.14Å
602K98.6Very high94.1Very high32 Ų3256 Ų5614%0.13929%0.294CS..EExtended strand (participates in β ladder)trans-89.3119.8165178.6178.1-174.5177.10107.8P386 A503 I504 V505 Y536 D572 F573 V604P386-K602 HydrophobicContact CB-CB 4.09Å; P386-K602 WeakPolarHBondContact O-CB 3.37Å; A503-K602 PolarHBondContact O-N 2.84Å; I504-K602 CarbonylContact C-O 3.59Å; I504-K602 VanDerWaalsContact CA-O 3.28Å; I504-K602 WeakPolarHBondContact CA-O 3.09Å; I504-K602 HydrophobicContact CG1-CB 4.31Å; I504-K602 HydrophobicContact CG1-CD 4.33Å; V505-K602 PolarHBondContact N-O 3.14Å; Y536-K602 HydrophobicContact CD1-CD 4.48Å; Y536-K602 HydrophobicContact CD2-CB 4.07Å; Y536-K602 HydrophobicContact CD2-CD 3.86Å; Y536-K602 HydrophobicContact CD2-CG 3.62Å; Y536-K602 HydrophobicContact CE1-CD 4.29Å; Y536-K602 HydrophobicContact CE2-CB 3.85Å; Y536-K602 HydrophobicContact CE2-CD 3.61Å; Y536-K602 HydrophobicContact CE2-CG 3.69Å; Y536-K602 HydrophobicContact CG-CD 4.31Å; Y536-K602 HydrophobicContact CG-CG 4.31Å; D572-K602 WeakPolarHBondContact OD2-CE 3.48Å; D572-K602 IonicContact OD2-NZ 3.74Å; D572-K602 PolarHBondContact OD2-NZ 3.48Å; F573-K602 CarbonylContact O-C 3.44Å; F573-K602 WeakPolarHBondContact O-CA 3.13Å; K602-V604 HydrophobicContact CD-CG2 4.25Å; K602-V604 HydrophobicContact CG-CG2 4.07Å
603L98.4Very high94.5Very high0 Ų053.9 Ų53.90%028%0.278CS..EExtended strand (participates in β ladder)trans-97.2133.7174.4-45.8-179.2000108.4V505 A513 L533 V565 D572 F573 L575 F601V505-L603 HydrophobicContact CB-CD2 3.77Å; V505-L603 HydrophobicContact CG1-CD2 4.42Å; V505-L603 HydrophobicContact CG2-CD2 4.27Å; V505-L603 WeakPolarHBondContact O-CA 3.36Å; A513-L603 HydrophobicContact CB-CD1 4.37Å; A513-L603 HydrophobicContact CB-CD2 4.19Å; L533-L603 HydrophobicContact CD1-CD1 4.09Å; V565-L603 HydrophobicContact CB-CD1 3.69Å; V565-L603 HydrophobicContact CG1-CD1 3.7Å; V565-L603 HydrophobicContact CG2-CD1 3.59Å; D572-L603 CarbonylContact C-O 3.42Å; D572-L603 WeakPolarHBondContact CA-O 3.49Å; F573-L603 HydrophobicContact CB-CB 4.25Å; F573-L603 PolarHBondContact N-O 2.65Å; F573-L603 PolarHBondContact O-N 2.88Å; L575-L603 HydrophobicContact CB-CD1 4.1Å; L575-L603 HydrophobicContact CB-CD2 4.5Å; L575-L603 HydrophobicContact CB-CG 4.25Å; F601-L603 HydrophobicContact CB-CD2 4.14Å
604V98.4Very high95Very high30 Ų3052 Ų5218%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-123.3115.1-176.3175.60000109.5I504 V505 A507 K602 T606I504-V604 HydrophobicContact CG2-CB 4.32Å; I504-V604 HydrophobicContact CG2-CG2 3.55Å; V505-V604 PolarHBondContact O-N 2.97Å; V505-V604 VanDerWaalsContact O-N 3.07Å; A507-V604 PolarHBondContact N-O 3.08Å; K602-V604 HydrophobicContact CD-CG2 4.25Å; K602-V604 HydrophobicContact CG-CG2 4.07Å; V604-T606 HydrophobicContact CG1-CG2 4.05Å
605C98Very high95.4Very high3 Ų346.4 Ų46.42%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-109.7103.3174.2-1780000110.2A507 T567 R570 G571 E607A507-C605 HydrophobicContact CB-CB 3.87Å; T567-C605 HydrophobicContact CG2-CB 4.11Å; T567-C605 WeakPolarHBondContact OG1-CB 3.33Å; T567-C605 PolarHBondContact OG1-SG 3.35Å; T567-C605 VanDerWaalsContact OG1-SG 3.34Å; R570-C605 WeakPolarHBondContact CA-O 3.47Å; G571-C605 PolarHBondContact N-O 3.24Å; G571-C605 PolarHBondContact O-N 2.77Å; C605-E607 PolarHBondContact SG-O 2.77Å; C605-E607 VanDerWaalsContact SG-O 3.4Å
606T97.6Very high95.6Very high111 Ų11143.6 Ų43.668%0.68123%0.234SC*.SBendtrans-86.3-34.7178.949.60000112.6R570 V604R570-T606 WeakPolarHBondContact CD-O 3.48Å; V604-T606 HydrophobicContact CG1-CG2 4.05Å
607E95.8Very high95.7Very high65 Ų6544.4 Ų44.430%0.30424%0.239SC..  trans-131.9134.1-177.9-170.2-177.1156.700109.5K509 C605 N609K509-E607 VanDerWaalsContact CE-OE2 3.3Å; K509-E607 WeakPolarHBondContact CE-OE2 3.03Å; K509-E607 VanDerWaalsContact NZ-CD 3.26Å; K509-E607 IonicContact NZ-OE1 2.9Å; K509-E607 PolarHBondContact NZ-OE1 3.02Å; K509-E607 IonicContact NZ-OE2 2.83Å; K509-E607 PolarHBondContact NZ-OE2 2.99Å; C605-E607 PolarHBondContact SG-O 2.77Å; C605-E607 VanDerWaalsContact SG-O 3.4Å; E607-N609 PolarHBondContact OE1-ND2 3.2Å; E607-N609 PolarHBondContact OE1-OD1 3.22Å
608L95.8Very high95.8Very high28 Ų2844.5 Ų44.515%0.14724%0.24CC..  trans-137.1116.7176.6-176.663.6000108.5S510 R570 V610 M612S510-L608 VanDerWaalsContact C-CD1 3.5Å; R570-L608 HydrophobicContact CG-CB 4.03Å; L608-V610 WeakPolarHBondContact CG-O 3.39Å; L608-M612 HydrophobicContact CD1-CG 4.35Å
609N94.6Very high95.5Very high96 Ų9645.6 Ų45.651%0.51325%0.247SC..  trans-109.5-0.8-174.4-66.9-14.6000113.1K509 E607K509-N609 PolarHBondContact O-N 2.99Å; E607-N609 PolarHBondContact OE1-ND2 3.2Å; E607-N609 PolarHBondContact OE1-OD1 3.22Å
610V92Very high95Very high80 Ų8049.6 Ų49.649%0.48528%0.275SS..SBendtrans-130.3140.9-177.7-175.70000108.8L608 M612L608-V610 WeakPolarHBondContact CG-O 3.39Å; V610-M612 HydrophobicContact CG1-SD 4.33Å; V610-M612 PolarHBondContact O-N 2.99Å
611I89.3Confident94.5Very high155 Ų15548.8 Ų48.880%0.79528%0.276SS*.  trans-75.7116169.8-60.8174.2000107.6
612M90.1Very high94.3Very high43 Ų4349.1 Ų49.121%0.21228%0.277CS..PPolyproline II helixtrans-83.1123.7176.6-66.1-47.9-55.700110.8F551 H566 L608 V610F551-M612 HydrophobicContact CD1-CB 4.37Å; F551-M612 HydrophobicContact CE1-CB 4.26Å; H566-M612 HydrophobicContact CB-CE 3.4Å; H566-M612 HydrophobicContact CB-CG 4.34Å; H566-M612 HydrophobicContact CB-SD 4.34Å; L608-M612 HydrophobicContact CD1-CG 4.35Å; V610-M612 HydrophobicContact CG1-SD 4.33Å; V610-M612 PolarHBondContact O-N 2.99Å
613V92.3Very high94.2Very high82 Ų8248 Ų4850%0.49727%0.272SS..PPolyproline II helixtrans-91.7132.4173.3-179.10000108.2N670V613-N670 WeakPolarHBondContact CG1-ND2 3.28Å
614P95.7Very high94.1Very high15 Ų1548 Ų4810%0.09727%0.273CS..PPolyproline II helixtrans-62.8147.5176.926.1-35.2000111.2V546 R550 F551 N670V546-P614 HydrophobicContact CG1-CB 3.68Å; V546-P614 HydrophobicContact CG1-CG 3.93Å; R550-P614 HydrophobicContact CB-CB 3.81Å; F551-P614 HydrophobicContact CE1-CB 4.03Å; F551-P614 HydrophobicContact CE2-CB 4.06Å; F551-P614 HydrophobicContact CZ-CB 3.73Å; F551-P614 HydrophobicContact CZ-CG 4.25Å; P614-N670 PolarHBondContact O-ND2 3.36Å
615L96.9Very high93.9Very high24 Ų2446.8 Ų46.813%0.12627%0.265CS..PPolyproline II helixtrans-59.2152.6170.7-63.4171.5000110.6R550 V552 M553 W623 L737R550-L615 VanDerWaalsContact CZ-O 3.26Å; R550-L615 PolarHBondContact NE-O 3.27Å; R550-L615 PolarHBondContact NH2-O 2.82Å; R550-L615 VanDerWaalsContact O-CB 3.27Å; R550-L615 WeakPolarHBondContact O-CB 3.16Å; R550-L615 VanDerWaalsContact O-CG 3.3Å; R550-L615 WeakPolarHBondContact O-CG 3.16Å; R550-L615 PolarHBondContact O-N 2.76Å; V552-L615 WeakPolarHBondContact O-CD1 3.23Å; M553-L615 HydrophobicContact CB-CD1 4.07Å; L615-W623 HydrophobicContact CB-CZ2 4.1Å; L615-W623 HydrophobicContact CD1-CZ2 3.97Å; L615-L737 HydrophobicContact CD2-CD1 3.94Å; L615-L737 HydrophobicContact CD2-CD2 3.81Å
616P96.4Very high93.6Very high4 Ų448.4 Ų48.43%0.02628%0.275CS..PPolyproline II helixtrans-49.1146.4171.8-27.335.5000112C618 R668 N670 Q701 L737P616-C618 PolarHBondContact O-N 3.1Å; P616-R668 HydrophobicContact CB-CB 4.34Å; P616-N670 WeakPolarHBondContact CA-OD1 3.47Å; P616-Q701 HydrophobicContact CG-CG 4.33Å; P616-L737 HydrophobicContact CG-CD1 4.02Å
617E94.2Very high93.3Very high116 Ų11643.5 Ų43.554%0.54224%0.244SC..  trans-76.164.5-174.7-168.9164.5-171.200112.6R550 R668R550-E617 IonicContact NH1-OE2 3.31Å; E617-R668 WeakPolarHBondContact O-CD 3.37Å; E617-R668 PolarHBondContact O-NE 2.86Å; E617-R668 PolarHBondContact O-NH1 2.84Å
618C94.9Very high93Very high18 Ų1840.4 Ų40.412%0.12223%0.23CC..PPolyproline II helixtrans-79.6170.5178.2-69.20000112.9P616 W623 G703 D705 K735P616-C618 PolarHBondContact O-N 3.1Å; C618-W623 HydrophobicContact CB-CH2 3.91Å; C618-W623 HydrophobicContact CB-CZ2 4.36Å; C618-W623 HydrophobicContact CB-CZ3 4.45Å; C618-G703 VanDerWaalsContact SG-CA 3.52Å; C618-D705 VanDerWaalsContact CA-OD2 3.23Å; C618-D705 WeakPolarHBondContact CA-OD2 3.49Å; C618-D705 WeakPolarHBondContact CB-OD2 3.39Å; C618-D705 PolarHBondContact SG-OD2 2.91Å; C618-K735 HydrophobicContact CB-CD 3.86Å
619S91.5Very high92.8Very high23 Ų2344.1 Ų44.116%0.16125%0.245CC..PPolyproline II helixtrans-59.1153.2171.8-48.70000111.3D705 Y707 K735S619-D705 WeakPolarHBondContact CB-OD1 3.47Å; S619-D705 PolarHBondContact N-OD1 2.94Å; S619-D705 PolarHBondContact OG-OD1 2.79Å; S619-Y707 PolarHBondContact OG-OH 2.78Å; S619-K735 PolarHBondContact O-NZ 2.65Å
620S88.1Confident92.6Very high84 Ų8441.5 Ų41.559%0.58723%0.228SC*.SBendtrans-65.6158.8175.458.10000112.5
621G87.8Confident92.4Very high15 Ų1537.7 Ų37.716%0.15521%0.205CC..SBendtrans107.3-168.1-179.800000113.4K735G621-K735 WeakPolarHBondContact O-CE 3.47Å; G621-K735 PolarHBondContact O-NZ 2.77Å
622E93.7Very high92.4Very high8 Ų830.3 Ų30.34%0.03717%0.167CC..  trans-72.9146.9-175.565-172.7-167.800113.6Q554 T556 K627 R630 K735Q554-E622 HydrophobicContact CG-CB 4.2Å; Q554-E622 CarbonylContact O-C 3.59Å; Q554-E622 WeakPolarHBondContact O-CA 3.03Å; T556-E622 PolarHBondContact OG1-OE2 2.88Å; E622-K627 HydrophobicContact CG-CB 3.89Å; E622-K627 WeakPolarHBondContact OE1-CA 3.07Å; E622-K627 WeakPolarHBondContact OE1-CB 3.19Å; E622-K627 PolarHBondContact OE1-N 2.88Å; E622-R630 IonicContact OE1-CZ 3.84Å; E622-R630 IonicContact OE1-NH2 3.53Å; E622-R630 PolarHBondContact OE1-NH2 2.79Å; E622-R630 IonicContact OE2-NH2 2.75Å; E622-R630 PolarHBondContact OE2-NH2 3Å; E622-K735 VanDerWaalsContact C-CE 3.44Å; E622-K735 WeakPolarHBondContact O-CE 2.9Å; E622-K735 WeakPolarHBondContact O-CG 3.37Å
623W96.6Very high92.5Very high8 Ų828.7 Ų28.73%0.0316%0.161CC..BIsolated β-bridgetrans-86.4143.6169.3-63.587000110.2M553 Q554 L615 C618 A642 K735 Y736 L737M553-W623 HydrophobicContact CE-CB 3.85Å; M553-W623 HydrophobicContact CE-CG 4.12Å; M553-W623 HydrophobicContact CG-CB 4.47Å; M553-W623 HydrophobicContact CG-CG 4.05Å; Q554-W623 VanDerWaalsContact O-CD1 3.3Å; Q554-W623 PolarHBondContact O-N 3.35Å; L615-W623 HydrophobicContact CB-CZ2 4.1Å; L615-W623 HydrophobicContact CD1-CZ2 3.97Å; C618-W623 HydrophobicContact CB-CH2 3.91Å; C618-W623 HydrophobicContact CB-CZ2 4.36Å; C618-W623 HydrophobicContact CB-CZ3 4.45Å; W623-A642 HydrophobicContact CB-CB 3.85Å; W623-K735 HydrophobicContact CD2-CD 3.86Å; W623-K735 HydrophobicContact CD2-CG 4.08Å; W623-K735 HydrophobicContact CE3-CB 4.39Å; W623-K735 HydrophobicContact CE3-CD 3.91Å; W623-K735 HydrophobicContact CE3-CG 3.85Å; W623-K735 HydrophobicContact CG-CD 4.33Å; W623-K735 HydrophobicContact CG-CG 4.4Å; W623-K735 HydrophobicContact CH2-CD 4.46Å; W623-K735 HydrophobicContact CZ2-CD 4.42Å; W623-K735 HydrophobicContact CZ3-CD 4.22Å; W623-K735 HydrophobicContact CZ3-CG 4.39Å; W623-Y736 WeakPolarHBondContact CZ3-O 3.5Å; W623-L737 HydrophobicContact CE3-CB 3.99Å; W623-L737 HydrophobicContact CH2-CD1 4.24Å; W623-L737 HydrophobicContact CZ3-CB 3.92Å; W623-L737 HydrophobicContact CZ3-CD1 4.24Å
624G96Very high92.6Very high1 Ų124.8 Ų24.81%0.0114%0.138CC..BIsolated β-bridgetrans97.7175.7-179.700000114.7T626 K735G624-T626 VanDerWaalsContact C-N 3.34Å; G624-T626 PolarHBondContact O-N 2.73Å; G624-K735 PolarHBondContact N-O 3.4Å
625P94.7Very high92.6Very high4 Ų426.7 Ų26.73%0.02615%0.146CC..THydrogen-bonded Turntrans-83.2-5-172.832.3-34.3000114.4K627 S628 F629 P636 E640 F654 Y736P625-K627 PolarHBondContact O-N 3.07Å; P625-K627 VanDerWaalsContact O-N 3.14Å; P625-S628 PolarHBondContact O-N 3.49Å; P625-S628 PolarHBondContact O-OG 2.82Å; P625-F629 PolarHBondContact O-N 3.13Å; P625-P636 HydrophobicContact CB-CB 3.87Å; P625-P636 HydrophobicContact CB-CG 3.87Å; P625-P636 HydrophobicContact CG-CB 3.99Å; P625-P636 HydrophobicContact CG-CG 3.86Å; P625-E640 WeakPolarHBondContact CD-O 3.26Å; P625-E640 WeakPolarHBondContact CG-O 3.1Å; P625-F654 HydrophobicContact CB-CE1 3.95Å; P625-Y736 WeakPolarHBondContact CB-OH 3.36Å; P625-Y736 HydrophobicContact CG-CE1 4.4Å
626T91.7Very high92.6Very high36 Ų3626.4 Ų26.422%0.22115%0.146CC..Hα-helixtrans-55.5-38-177-50.30000111.9T556 G624 R630T556-T626 HydrophobicContact CG2-CG2 3.83Å; T556-T626 PolarHBondContact O-OG1 3.26Å; T556-T626 VanDerWaalsContact O-OG1 3.14Å; G624-T626 VanDerWaalsContact C-N 3.34Å; G624-T626 PolarHBondContact O-N 2.73Å; T626-R630 WeakPolarHBondContact O-CB 3.31Å; T626-R630 VanDerWaalsContact O-CG 3.22Å; T626-R630 WeakPolarHBondContact O-CG 3.44Å; T626-R630 PolarHBondContact O-N 3.15Å; T626-R630 VanDerWaalsContact O-N 3.1Å; T626-R630 PolarHBondContact O-NE 2.85Å
627K90.5Very high92.6Very high8 Ų829 Ų294%0.03516%0.159CC..Hα-helixtrans-64.8-48.3175.2-169.4-173.7171.8-170.20112.7Y587 E622 P625 F629 R630 L631 H732Y587-K627 WeakPolarHBondContact OH-CE 3.46Å; Y587-K627 PolarHBondContact OH-NZ 3.17Å; E622-K627 HydrophobicContact CG-CB 3.89Å; E622-K627 WeakPolarHBondContact OE1-CA 3.07Å; E622-K627 WeakPolarHBondContact OE1-CB 3.19Å; E622-K627 PolarHBondContact OE1-N 2.88Å; P625-K627 PolarHBondContact O-N 3.07Å; P625-K627 VanDerWaalsContact O-N 3.14Å; K627-F629 VanDerWaalsContact C-N 3.3Å; K627-F629 PolarHBondContact O-N 3.38Å; K627-R630 PolarHBondContact O-N 2.89Å; K627-L631 HydrophobicContact CG-CD1 4.01Å; K627-L631 WeakPolarHBondContact O-CB 3.36Å; K627-L631 PolarHBondContact O-N 3.42Å; K627-H732 WeakPolarHBondContact CE-O 3.42Å; K627-H732 PolarHBondContact NZ-ND1 2.62Å; K627-H732 PolarHBondContact NZ-O 3.31Å
628S91.3Very high92.7Very high0 Ų025.4 Ų25.40%015%0.147CC..Iπ-helixtrans-67-36.8-175.263.20000110.6P625 F632 G633 M634 C733P625-S628 PolarHBondContact O-N 3.49Å; P625-S628 PolarHBondContact O-OG 2.82Å; S628-F632 CarbonylContact O-C 3.55Å; S628-F632 WeakPolarHBondContact O-CA 3.39Å; S628-F632 VanDerWaalsContact O-CB 3.23Å; S628-F632 WeakPolarHBondContact O-CB 3.4Å; S628-F632 PolarHBondContact O-N 3.33Å; S628-F632 VanDerWaalsContact O-N 3.09Å; S628-G633 PolarHBondContact O-N 2.78Å; S628-M634 PolarHBondContact O-N 3.08Å; S628-C733 WeakPolarHBondContact CA-O 3.46Å; S628-C733 VanDerWaalsContact CB-O 3.31Å; S628-C733 WeakPolarHBondContact CB-O 3.48Å; S628-C733 PolarHBondContact N-O 2.83Å
629F91.2Very high92.7Very high107 Ų10727 Ų2747%0.46915%0.152SC..Iπ-helixtrans-63.7-55.9171.7176.3-126.3000111.8P625 K627 G633 M634 I635P625-F629 PolarHBondContact O-N 3.13Å; K627-F629 VanDerWaalsContact C-N 3.3Å; K627-F629 PolarHBondContact O-N 3.38Å; F629-G633 VanDerWaalsContact O-CA 3.3Å; F629-G633 WeakPolarHBondContact O-CA 3.48Å; F629-G633 PolarHBondContact O-N 2.93Å; F629-M634 WeakPolarHBondContact CA-O 3.26Å; F629-M634 WeakPolarHBondContact CB-O 3.18Å; F629-M634 PolarHBondContact N-O 3.31Å; F629-I635 HydrophobicContact CD2-CB 4.43Å; F629-I635 HydrophobicContact CD2-CG1 3.62Å; F629-I635 HydrophobicContact CE2-CD1 4.33Å; F629-I635 HydrophobicContact CE2-CG1 3.61Å
630R89.2Confident92.8Very high40 Ų4032.8 Ų32.815%0.15118%0.177CC..Iπ-helixtrans-65.3-46.3-174-70.3-174.5-61.1146.4-2.8114.2T524 L527 E622 T626 K627T524-R630 WeakPolarHBondContact O-CD 3.37Å; T524-R630 PolarHBondContact O-NH1 3.22Å; L527-R630 PolarHBondContact O-NH1 2.83Å; E622-R630 IonicContact OE1-CZ 3.84Å; E622-R630 IonicContact OE1-NH2 3.53Å; E622-R630 PolarHBondContact OE1-NH2 2.79Å; E622-R630 IonicContact OE2-NH2 2.75Å; E622-R630 PolarHBondContact OE2-NH2 3Å; T626-R630 WeakPolarHBondContact O-CB 3.31Å; T626-R630 VanDerWaalsContact O-CG 3.22Å; T626-R630 WeakPolarHBondContact O-CG 3.44Å; T626-R630 PolarHBondContact O-N 3.15Å; T626-R630 VanDerWaalsContact O-N 3.1Å; T626-R630 PolarHBondContact O-NE 2.85Å; K627-R630 PolarHBondContact O-N 2.89Å
631L88.4Confident93.2Very high0 Ų034.6 Ų34.60%018%0.18CC..Iπ-helixtrans-101.2-19.1-169.4-61.2178.7000113.4I528 P584 Y587 K627 R658I528-L631 HydrophobicContact CG2-CD1 3.99Å; P584-L631 HydrophobicContact CG-CD2 4.21Å; Y587-L631 HydrophobicContact CD1-CB 4.49Å; Y587-L631 HydrophobicContact CD1-CD1 3.97Å; Y587-L631 HydrophobicContact CD2-CD1 3.78Å; Y587-L631 HydrophobicContact CE1-CD1 4.2Å; Y587-L631 HydrophobicContact CE2-CD1 4.02Å; Y587-L631 HydrophobicContact CG-CD1 3.78Å; K627-L631 HydrophobicContact CG-CD1 4.01Å; K627-L631 WeakPolarHBondContact O-CB 3.36Å; K627-L631 PolarHBondContact O-N 3.42Å; L631-R658 PolarHBondContact O-NH2 2.92Å
632F90.1Very high93.5Very high0 Ų034.6 Ų34.60%018%0.179CC..Iπ-helixtrans-116.4-18.5-178.6-63.9-101.9000112.5Y587 L588 S628 M634 R658 L660 T708 T731 C733Y587-F632 HydrophobicContact CD1-CE2 4.02Å; Y587-F632 HydrophobicContact CD1-CZ 4.03Å; Y587-F632 AromaticContact CE1-CE2 3.9Å; Y587-F632 HydrophobicContact CE1-CE2 3.9Å; Y587-F632 AromaticContact CE1-CZ 3.93Å; Y587-F632 HydrophobicContact CE1-CZ 3.93Å; L588-F632 HydrophobicContact CD2-CD1 3.66Å; L588-F632 HydrophobicContact CD2-CE1 3.35Å; L588-F632 HydrophobicContact CD2-CZ 4.01Å; S628-F632 CarbonylContact O-C 3.55Å; S628-F632 WeakPolarHBondContact O-CA 3.39Å; S628-F632 VanDerWaalsContact O-CB 3.23Å; S628-F632 WeakPolarHBondContact O-CB 3.4Å; S628-F632 PolarHBondContact O-N 3.33Å; S628-F632 VanDerWaalsContact O-N 3.09Å; F632-M634 HydrophobicContact CB-CG 4.05Å; F632-M634 HydrophobicContact CB-SD 4.27Å; F632-R658 PolarHBondContact O-NE 2.97Å; F632-L660 HydrophobicContact CB-CD1 4.3Å; F632-T708 HydrophobicContact CD1-CG2 3.47Å; F632-T708 VanDerWaalsContact CD1-CG2 3.47Å; F632-T708 HydrophobicContact CE1-CG2 3.85Å; F632-T708 HydrophobicContact CG-CG2 4.38Å; F632-T731 HydrophobicContact CE1-CG2 4.36Å; F632-T731 HydrophobicContact CZ-CG2 3.81Å; F632-C733 HydrophobicContact CB-CB 4.48Å; F632-C733 HydrophobicContact CD1-CB 3.67Å; F632-C733 HydrophobicContact CD2-CB 3.59Å; F632-C733 HydrophobicContact CE1-CB 3.64Å; F632-C733 HydrophobicContact CE2-CB 3.6Å; F632-C733 HydrophobicContact CG-CB 3.64Å; F632-C733 HydrophobicContact CZ-CB 3.62Å
633G91.3Very high93.7Very high9 Ų937.9 Ų37.99%0.09320%0.196CC..  trans77.427.4-175.300000112.6S628 F629 T657S628-G633 PolarHBondContact O-N 2.78Å; F629-G633 VanDerWaalsContact O-CA 3.3Å; F629-G633 WeakPolarHBondContact O-CA 3.48Å; F629-G633 PolarHBondContact O-N 2.93Å; G633-T657 WeakPolarHBondContact CA-OG1 3.46Å; G633-T657 WeakPolarHBondContact O-CB 3.27Å; G633-T657 PolarHBondContact O-N 3.44Å; G633-T657 PolarHBondContact O-OG1 2.84Å
634M94Very high93.7Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-98102.9177.4-63.3179.366.400110.5S628 F629 F632 F654 R655 L660 F663 L706 T708 C733S628-M634 PolarHBondContact O-N 3.08Å; F629-M634 WeakPolarHBondContact CA-O 3.26Å; F629-M634 WeakPolarHBondContact CB-O 3.18Å; F629-M634 PolarHBondContact N-O 3.31Å; F632-M634 HydrophobicContact CB-CG 4.05Å; F632-M634 HydrophobicContact CB-SD 4.27Å; M634-F654 HydrophobicContact CB-CB 4.39Å; M634-F654 HydrophobicContact CB-CD1 4.05Å; M634-F654 HydrophobicContact CB-CG 4.47Å; M634-F654 HydrophobicContact CE-CB 3.8Å; M634-F654 HydrophobicContact CE-CD1 4.13Å; M634-F654 HydrophobicContact CE-CD2 3.92Å; M634-F654 HydrophobicContact CE-CG 3.69Å; M634-R655 CarbonylContact C-O 3.59Å; M634-R655 WeakPolarHBondContact CA-O 3.2Å; M634-L660 HydrophobicContact CG-CD1 3.63Å; M634-L660 HydrophobicContact SD-CD1 4Å; M634-F663 HydrophobicContact CE-CD1 4.33Å; M634-F663 HydrophobicContact CE-CE1 3.55Å; M634-F663 HydrophobicContact CE-CZ 4.35Å; M634-F663 HydrophobicContact SD-CE1 3.83Å; M634-L706 HydrophobicContact CE-CD2 3.72Å; M634-T708 HydrophobicContact SD-CG2 4.26Å; M634-C733 HydrophobicContact SD-CB 4.43Å
635I96Very high93.8Very high55 Ų5543.9 Ų43.928%0.28223%0.228SC..EExtended strand (participates in β ladder)trans-79.2122178.2-60.3168.4000108.7F629 L637 F654 R655 T657F629-I635 HydrophobicContact CD2-CB 4.43Å; F629-I635 HydrophobicContact CD2-CG1 3.62Å; F629-I635 HydrophobicContact CE2-CD1 4.33Å; F629-I635 HydrophobicContact CE2-CG1 3.61Å; I635-L637 PolarHBondContact O-N 3.41Å; I635-F654 CarbonylContact O-C 3.59Å; I635-F654 VanDerWaalsContact O-CA 3.22Å; I635-F654 WeakPolarHBondContact O-CA 3.48Å; I635-R655 HydrophobicContact CB-CB 4.37Å; I635-R655 PolarHBondContact N-O 2.97Å; I635-R655 PolarHBondContact O-N 2.78Å; I635-T657 HydrophobicContact CD1-CG2 3.4Å; I635-T657 VanDerWaalsContact CD1-CG2 3.4Å; I635-T657 HydrophobicContact CG1-CG2 3.85Å
636P96.6Very high93.8Very high18 Ų1844.4 Ų44.412%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-64.7132.8172.428.3-34.4000110.4P625 H639 E640 F654P625-P636 HydrophobicContact CB-CB 3.87Å; P625-P636 HydrophobicContact CB-CG 3.87Å; P625-P636 HydrophobicContact CG-CB 3.99Å; P625-P636 HydrophobicContact CG-CG 3.86Å; P636-H639 WeakPolarHBondContact CB-O 3.32Å; P636-E640 HydrophobicContact CB-CG 4.48Å; P636-E640 HydrophobicContact CG-CG 4.19Å; P636-F654 HydrophobicContact CB-CD1 4.27Å; P636-F654 HydrophobicContact CB-CE1 4.08Å
637L96.7Very high94Very high59 Ų5944 Ų4431%0.30924%0.237SC..SBendtrans-107.6-23.2177.8-63.2-177.5000113.5I635 R653 R655 I689I635-L637 PolarHBondContact O-N 3.41Å; L637-R653 HydrophobicContact CB-CB 4.11Å; L637-R653 PolarHBondContact N-O 2.81Å; L637-R655 HydrophobicContact CD1-CB 4.08Å; L637-R655 HydrophobicContact CD2-CB 4.09Å; L637-R655 HydrophobicContact CG-CB 4.17Å; L637-I689 HydrophobicContact CD1-CD1 3.63Å
638S96.1Very high94.1Very high40 Ų4047.2 Ų47.228%0.2826%0.258SS..SBendtrans-113.5-38.3-173.9590000113.8I652 R653S638-I652 WeakPolarHBondContact OG-CA 3.45Å; S638-R653 PolarHBondContact OG-N 2.8Å
639H95.9Very high94.4Very high51 Ų5152 Ų5224%0.23628%0.28CS..  trans-142.7107.5-170-63.895.5000109.6P636 I644 L650 E651 Y736P636-H639 WeakPolarHBondContact CB-O 3.32Å; H639-I644 HydrophobicContact CB-CD1 3.68Å; H639-I644 HydrophobicContact CB-CG1 4.06Å; H639-L650 WeakPolarHBondContact CE1-CD1 3.33Å; H639-E651 PolarHBondContact CE1-O 2.89Å; H639-Y736 HydrophobicContact CB-CE1 4.29Å; H639-Y736 PolarHBondContact O-OH 2.64Å
640E93.8Very high94.7Very high146 Ų14647.6 Ų47.668%0.68226%0.262SS*.  trans-90.7-21.1-178.1-60.9-175.9173.900112.4P625 P636P625-E640 WeakPolarHBondContact CD-O 3.26Å; P625-E640 WeakPolarHBondContact CG-O 3.1Å; P636-E640 HydrophobicContact CB-CG 4.48Å; P636-E640 HydrophobicContact CG-CG 4.19Å
641D94.9Very high95.1Very high121 Ų12150.1 Ų50.165%0.64728%0.275SS*.SBendtrans-89148.8-177.9-68.8-48000113.4I643 Y736D641-I643 PolarHBondContact O-N 3.01Å; D641-Y736 VanDerWaalsContact O-CD1 3.25Å; D641-Y736 WeakPolarHBondContact O-CD1 3.44Å; D641-Y736 WeakPolarHBondContact O-CE1 3.44Å
642A95.6Very high95.5Very high16 Ų1650.1 Ų50.113%0.13228%0.275CS..SBendtrans-65.7-22.9177.200000114.6M553 W623 L737M553-A642 HydrophobicContact CE-CB 3.66Å; W623-A642 HydrophobicContact CB-CB 3.85Å; A642-L737 PolarHBondContact O-N 3.11Å
643I96.8Very high95.9Very high76 Ų7655.4 Ų55.439%0.3930%0.295SS..EExtended strand (participates in β ladder)trans-113.5125.4-179.5-53.7177.5000108.4M553 D641 L737M553-I643 HydrophobicContact CE-CD1 3.88Å; M553-I643 HydrophobicContact CE-CG1 3.46Å; M553-I643 VanDerWaalsContact CE-CG1 3.46Å; M553-I643 HydrophobicContact SD-CD1 3.99Å; M553-I643 HydrophobicContact SD-CG1 4.22Å; D641-I643 PolarHBondContact O-N 3.01Å; I643-L737 CarbonylContact C-O 3.41Å; I643-L737 VanDerWaalsContact CA-O 3.29Å; I643-L737 WeakPolarHBondContact CA-O 3.43Å; I643-L737 HydrophobicContact CG1-CB 4.49Å; I643-L737 HydrophobicContact CG1-CD2 4.42Å
644I97.5Very high96.2Very high5 Ų555.1 Ų55.13%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-114.3129.6176.8-58.2172.5000108.5H639 A646 L650 I652 Y736 L737 I738 N739H639-I644 HydrophobicContact CB-CD1 3.68Å; H639-I644 HydrophobicContact CB-CG1 4.06Å; I644-A646 HydrophobicContact CG2-CB 4.32Å; I644-L650 HydrophobicContact CD1-CD2 4.22Å; I644-L650 HydrophobicContact CG2-CD1 3.95Å; I644-L650 HydrophobicContact CG2-CD2 3.9Å; I644-I652 HydrophobicContact CD1-CD1 3.64Å; I644-I652 HydrophobicContact CD1-CG1 4.15Å; I644-Y736 HydrophobicContact CD1-CD1 3.56Å; I644-Y736 HydrophobicContact CD1-CD2 4.47Å; I644-Y736 HydrophobicContact CD1-CE1 3.93Å; I644-Y736 HydrophobicContact CD1-CG 3.85Å; I644-Y736 HydrophobicContact CG1-CD1 3.94Å; I644-Y736 HydrophobicContact CG1-CE1 4.41Å; I644-L737 PolarHBondContact N-O 2.74Å; I644-I738 HydrophobicContact CB-CG1 4.28Å; I644-I738 HydrophobicContact CB-CG2 4.42Å; I644-I738 HydrophobicContact CD1-CG1 4.48Å; I644-I738 CarbonylContact O-C 3.54Å; I644-I738 WeakPolarHBondContact O-CA 3.42Å; I644-N739 PolarHBondContact O-N 2.88Å
645N96.7Very high96.4Very high130 Ų13060.1 Ų60.170%0.69531%0.31SS*.EExtended strand (participates in β ladder)trans-97.9120.4165.1-60.6-51.2000107.7N739N645-N739 CarbonylContact C-O 3.51Å; N645-N739 WeakPolarHBondContact CA-O 3.3Å; N645-N739 PolarHBondContact OD1-ND2 2.83Å
646A95.4Very high96.3Very high15 Ų1558.5 Ų58.512%0.12430%0.302CS..EExtended strand (participates in β ladder)trans-127160.6-173.600000111.8I644 L650 F696 I738 N739 T740 R741I644-A646 HydrophobicContact CG2-CB 4.32Å; A646-L650 HydrophobicContact CB-CB 4.04Å; A646-L650 HydrophobicContact CB-CD1 4.08Å; A646-L650 HydrophobicContact CB-CD2 4.12Å; A646-L650 HydrophobicContact CB-CG 4.31Å; A646-F696 HydrophobicContact CB-CE2 4.06Å; A646-I738 HydrophobicContact CB-CG2 4.06Å; A646-N739 PolarHBondContact N-O 3.22Å; A646-T740 VanDerWaalsContact O-CA 3.3Å; A646-T740 WeakPolarHBondContact O-CA 3.4Å; A646-R741 PolarHBondContact O-N 2.9Å; A646-R741 VanDerWaalsContact O-N 3.11Å
647G95.2Very high96.2Very high29 Ų2961.8 Ų61.830%0.29932%0.321SS..  trans-80.8-151.7168.100000111.7E649 F696 T740 R741G647-E649 VanDerWaalsContact C-N 3.27Å; G647-E649 PolarHBondContact O-N 3.36Å; G647-F696 WeakPolarHBondContact O-CD2 3.28Å; G647-T740 PolarHBondContact O-OG1 3.33Å; G647-R741 WeakPolarHBondContact CA-O 3.28Å
648P94.3Very high95.8Very high74 Ų7462.2 Ų62.248%0.48132%0.319SS..SBendtrans-69.9-20.4175.527-34.5000113.9F696P648-F696 WeakPolarHBondContact O-CD2 3.35Å; P648-F696 PolarHBondContact O-N 3.21Å
649E96Very high95.5Very high101 Ų10164.3 Ų64.347%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-127.9148.7174.5-60.1-166.5178.800111.2G647 R693 I694 V695G647-E649 VanDerWaalsContact C-N 3.27Å; G647-E649 PolarHBondContact O-N 3.36Å; E649-R693 VanDerWaalsContact CD-NH2 3.35Å; E649-R693 IonicContact OE1-NH2 3.27Å; E649-R693 PolarHBondContact OE1-NH2 3.16Å; E649-R693 IonicContact OE2-CZ 2.67Å; E649-R693 IonicContact OE2-NE 2.99Å; E649-R693 IonicContact OE2-NH2 2.72Å; E649-R693 PolarHBondContact OE2-NH2 3.44Å; E649-I694 WeakPolarHBondContact CA-O 3.27Å; E649-V695 HydrophobicContact CG-CG1 4.45Å; E649-V695 HydrophobicContact CG-CG2 4.23Å
650L97.6Very high95.2Very high15 Ų1562.4 Ų62.48%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-141.9137.4176.8177.863.8000110.5H639 I644 A646 I652 R693 I694 F696 I738H639-L650 WeakPolarHBondContact CE1-CD1 3.33Å; I644-L650 HydrophobicContact CD1-CD2 4.22Å; I644-L650 HydrophobicContact CG2-CD1 3.95Å; I644-L650 HydrophobicContact CG2-CD2 3.9Å; A646-L650 HydrophobicContact CB-CB 4.04Å; A646-L650 HydrophobicContact CB-CD1 4.08Å; A646-L650 HydrophobicContact CB-CD2 4.12Å; A646-L650 HydrophobicContact CB-CG 4.31Å; L650-I652 HydrophobicContact CD2-CD1 4.02Å; L650-I652 HydrophobicContact CD2-CG1 4.02Å; L650-I652 HydrophobicContact CG-CG1 4.03Å; L650-R693 CarbonylContact O-C 3.42Å; L650-R693 WeakPolarHBondContact O-CA 3.44Å; L650-I694 HydrophobicContact CB-CB 4.48Å; L650-I694 HydrophobicContact CD2-CD1 4.4Å; L650-I694 PolarHBondContact N-O 2.85Å; L650-I694 PolarHBondContact O-N 2.83Å; L650-F696 HydrophobicContact CB-CE2 3.72Å; L650-F696 HydrophobicContact CB-CZ 4.02Å; L650-F696 HydrophobicContact CD2-CZ 4.17Å; L650-I738 HydrophobicContact CD2-CD1 3.86Å; L650-I738 HydrophobicContact CD2-CG1 4.2Å; L650-I738 HydrophobicContact CD2-CG2 3.94Å
651E97.8Very high94.9Very high93 Ų9356.5 Ų56.544%0.43530%0.299SS..EExtended strand (participates in β ladder)trans-120124.6168-170.9-177.27800110H639 R653 A691 V692H639-E651 PolarHBondContact CE1-O 2.89Å; E651-R653 HydrophobicContact CG-CG 4.14Å; E651-R653 VanDerWaalsContact OE1-CD 3.3Å; E651-R653 WeakPolarHBondContact OE1-CD 3.44Å; E651-R653 IonicContact OE1-NE 2.65Å; E651-R653 PolarHBondContact OE1-NE 2.88Å; E651-A691 HydrophobicContact CG-CB 4.45Å; E651-V692 WeakPolarHBondContact CA-O 3.46Å
652I98.1Very high94.7Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-109.6126.4175-54.6177.8000108.6S638 I644 L650 F654 A691 V692 L704 Y736S638-I652 WeakPolarHBondContact OG-CA 3.45Å; I644-I652 HydrophobicContact CD1-CD1 3.64Å; I644-I652 HydrophobicContact CD1-CG1 4.15Å; L650-I652 HydrophobicContact CD2-CD1 4.02Å; L650-I652 HydrophobicContact CD2-CG1 4.02Å; L650-I652 HydrophobicContact CG-CG1 4.03Å; I652-F654 HydrophobicContact CG2-CD2 4.27Å; I652-F654 HydrophobicContact CG2-CE2 3.56Å; I652-F654 HydrophobicContact CG2-CZ 4.04Å; I652-A691 CarbonylContact O-C 3.54Å; I652-A691 WeakPolarHBondContact O-CA 3.4Å; I652-V692 PolarHBondContact N-O 3.3Å; I652-V692 PolarHBondContact O-N 2.82Å; I652-L704 HydrophobicContact CD1-CD2 3.57Å; I652-Y736 HydrophobicContact CD1-CD2 3.93Å; I652-Y736 HydrophobicContact CD1-CE2 4.13Å; I652-Y736 HydrophobicContact CD1-CG 4.43Å; I652-Y736 HydrophobicContact CG2-CE2 4.02Å
653R98Very high94.6Very high111 Ų11155.4 Ų55.442%0.41929%0.287SS..EExtended strand (participates in β ladder)trans-119.2139.4-177.6-67-174.3-72.5154.91112.1L637 S638 E651 V690 A691L637-R653 HydrophobicContact CB-CB 4.11Å; L637-R653 PolarHBondContact N-O 2.81Å; S638-R653 PolarHBondContact OG-N 2.8Å; E651-R653 HydrophobicContact CG-CG 4.14Å; E651-R653 VanDerWaalsContact OE1-CD 3.3Å; E651-R653 WeakPolarHBondContact OE1-CD 3.44Å; E651-R653 IonicContact OE1-NE 2.65Å; E651-R653 PolarHBondContact OE1-NE 2.88Å; R653-V690 CarbonylContact C-O 3.45Å; R653-V690 WeakPolarHBondContact CA-O 3.4Å; R653-A691 HydrophobicContact CG-CB 3.94Å
654F97.9Very high94.5Very high2 Ų254.7 Ų54.71%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-127.8149.6173.6-65.2-88.6000111P625 M634 I635 P636 I652 I689 V690 L706 Y736P625-F654 HydrophobicContact CB-CE1 3.95Å; M634-F654 HydrophobicContact CB-CB 4.39Å; M634-F654 HydrophobicContact CB-CD1 4.05Å; M634-F654 HydrophobicContact CB-CG 4.47Å; M634-F654 HydrophobicContact CE-CB 3.8Å; M634-F654 HydrophobicContact CE-CD1 4.13Å; M634-F654 HydrophobicContact CE-CD2 3.92Å; M634-F654 HydrophobicContact CE-CG 3.69Å; I635-F654 CarbonylContact O-C 3.59Å; I635-F654 VanDerWaalsContact O-CA 3.22Å; I635-F654 WeakPolarHBondContact O-CA 3.48Å; P636-F654 HydrophobicContact CB-CD1 4.27Å; P636-F654 HydrophobicContact CB-CE1 4.08Å; I652-F654 HydrophobicContact CG2-CD2 4.27Å; I652-F654 HydrophobicContact CG2-CE2 3.56Å; I652-F654 HydrophobicContact CG2-CZ 4.04Å; F654-I689 WeakPolarHBondContact O-CA 3.49Å; F654-V690 HydrophobicContact CB-CB 4.4Å; F654-V690 PolarHBondContact N-O 2.64Å; F654-V690 PolarHBondContact O-N 3.08Å; F654-L706 HydrophobicContact CD2-CD2 4.28Å; F654-L706 HydrophobicContact CE2-CD2 3.91Å; F654-Y736 HydrophobicContact CE2-CE2 4.42Å; F654-Y736 AromaticContact CZ-CE2 3.8Å; F654-Y736 HydrophobicContact CZ-CE2 3.8Å; F654-Y736 WeakPolarHBondContact CZ-OH 3.4Å
655R97.3Very high94.5Very high105 Ų10555.3 Ų55.340%0.39629%0.292SS..EExtended strand (participates in β ladder)trans-104.4126.6165.4-178.4174.7-65.3122.31.6110.6M634 I635 L637 D688 I689M634-R655 CarbonylContact C-O 3.59Å; M634-R655 WeakPolarHBondContact CA-O 3.2Å; I635-R655 HydrophobicContact CB-CB 4.37Å; I635-R655 PolarHBondContact N-O 2.97Å; I635-R655 PolarHBondContact O-N 2.78Å; L637-R655 HydrophobicContact CD1-CB 4.08Å; L637-R655 HydrophobicContact CD2-CB 4.09Å; L637-R655 HydrophobicContact CG-CB 4.17Å; R655-D688 CarbonylContact C-O 3.59Å; R655-D688 WeakPolarHBondContact CA-O 3.35Å; R655-D688 WeakPolarHBondContact CD-OD2 3.3Å; R655-D688 HydrophobicContact CG-CB 4.48Å; R655-D688 VanDerWaalsContact CG-OD2 3.25Å; R655-D688 WeakPolarHBondContact CG-OD2 3.49Å; R655-D688 IonicContact NE-OD2 3.61Å; R655-D688 PolarHBondContact NE-OD2 2.82Å; R655-I689 HydrophobicContact CB-CD1 3.99Å; R655-I689 HydrophobicContact CG-CD1 4.16Å
656M95.3Very high94.5Very high22 Ų2250.1 Ų50.111%0.10827%0.265CS..EExtended strand (participates in β ladder)trans-80122.5172.5-61-176.6-6800109.7L660 F663 V685 A687 D688 V690M656-L660 HydrophobicContact CG-CD1 4.47Å; M656-L660 HydrophobicContact SD-CB 3.94Å; M656-F663 HydrophobicContact CG-CZ 4.36Å; M656-F663 HydrophobicContact SD-CE2 3.68Å; M656-F663 HydrophobicContact SD-CZ 3.64Å; M656-V685 HydrophobicContact CE-CG1 3.73Å; M656-A687 VanDerWaalsContact CE-O 3.26Å; M656-A687 WeakPolarHBondContact CE-O 3.43Å; M656-D688 PolarHBondContact N-O 2.83Å; M656-V690 HydrophobicContact CE-CG2 4.11Å; M656-V690 HydrophobicContact CG-CG2 3.82Å; M656-V690 HydrophobicContact SD-CG2 3.68Å
657T93.4Very high94.5Very high87 Ų8749.5 Ų49.553%0.53426%0.259SS..SBendtrans-86.8-14.7172.356.20000112.7G633 I635G633-T657 WeakPolarHBondContact CA-OG1 3.46Å; G633-T657 WeakPolarHBondContact O-CB 3.27Å; G633-T657 PolarHBondContact O-N 3.44Å; G633-T657 PolarHBondContact O-OG1 2.84Å; I635-T657 HydrophobicContact CD1-CG2 3.4Å; I635-T657 VanDerWaalsContact CD1-CG2 3.4Å; I635-T657 HydrophobicContact CG1-CG2 3.85Å
658R89.2Confident94.5Very high68 Ų6850.4 Ų50.426%0.25725%0.254SS..SBendtrans-143.7157.1175.861.3176.5173168.7-12.4110.3L631 F632 L660 E710L631-R658 PolarHBondContact O-NH2 2.92Å; F632-R658 PolarHBondContact O-NE 2.97Å; R658-L660 PolarHBondContact O-N 3.49Å; R658-E710 IonicContact CZ-OE1 3.46Å; R658-E710 IonicContact NH1-OE1 2.77Å; R658-E710 PolarHBondContact NH1-OE1 2.79Å
659P88.1Confident94.6Very high84 Ų8449 Ų4955%0.54524%0.24SC..  trans-63.6124.4-177.9-19.232000112E711P659-E711 HydrophobicContact CB-CB 4.09Å; P659-E711 WeakPolarHBondContact CB-OE2 3.36Å
660L90.3Very high94.5Very high11 Ų1145.2 Ų45.26%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-126.2143173.9-65.2173.5000108.1F632 M634 M656 R658 F663 T708 R709F632-L660 HydrophobicContact CB-CD1 4.3Å; M634-L660 HydrophobicContact CG-CD1 3.63Å; M634-L660 HydrophobicContact SD-CD1 4Å; M656-L660 HydrophobicContact CG-CD1 4.47Å; M656-L660 HydrophobicContact SD-CB 3.94Å; R658-L660 PolarHBondContact O-N 3.49Å; L660-F663 HydrophobicContact CB-CE2 4.1Å; L660-F663 HydrophobicContact CB-CZ 3.71Å; L660-F663 HydrophobicContact CD1-CE1 4.5Å; L660-F663 HydrophobicContact CD1-CZ 4.01Å; L660-T708 HydrophobicContact CD1-CG2 4.1Å; L660-R709 WeakPolarHBondContact CA-O 3.34Å
661A88.1Confident94.2Very high21 Ų2154.1 Ų54.117%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-116.4150.6-177.800000110.6T708 R709 E711A661-T708 PolarHBondContact O-OG1 2.83Å; A661-R709 PolarHBondContact N-O 2.83Å; A661-R709 WeakPolarHBondContact O-CG 3.3Å; A661-R709 PolarHBondContact O-N 3.44Å; A661-E711 HydrophobicContact CB-CB 4.17Å; A661-E711 HydrophobicContact CB-CG 4.37Å
662E90.1Very high93.9Very high89 Ų8950.9 Ų50.942%0.41625%0.247SC..EExtended strand (participates in β ladder)trans53.5102.6174-65.6179.1-166.700113.6T708 R709 R727 L730E662-T708 WeakPolarHBondContact O-CA 3.34Å; E662-R709 IonicContact OE1-CZ 3.95Å; E662-R709 IonicContact OE1-NH1 2.62Å; E662-R709 IonicContact OE1-NH2 3.04Å; E662-R709 PolarHBondContact OE1-NH2 2.69Å; E662-R709 IonicContact OE2-CZ 3.96Å; E662-R709 IonicContact OE2-NE 3.6Å; E662-R709 IonicContact OE2-NH1 3.26Å; E662-R709 PolarHBondContact OE2-NH1 2.81Å; E662-R709 IonicContact OE2-NH2 3.3Å; E662-R709 PolarHBondContact OE2-NH2 3.4Å; E662-R709 VanDerWaalsContact OE2-NH2 3.12Å; E662-R727 IonicContact OE1-NH1 2.95Å; E662-L730 HydrophobicContact CB-CD2 4.12Å; E662-L730 WeakPolarHBondContact O-CD2 3.36Å
663F94.7Very high93.4Very high25 Ų2555.1 Ų55.111%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-103.3128.1173.6-71.3-91.6000110.6M634 M656 L660 T683 V685 V690 L706 Y707 T708M634-F663 HydrophobicContact CE-CD1 4.33Å; M634-F663 HydrophobicContact CE-CE1 3.55Å; M634-F663 HydrophobicContact CE-CZ 4.35Å; M634-F663 HydrophobicContact SD-CE1 3.83Å; M656-F663 HydrophobicContact CG-CZ 4.36Å; M656-F663 HydrophobicContact SD-CE2 3.68Å; M656-F663 HydrophobicContact SD-CZ 3.64Å; L660-F663 HydrophobicContact CB-CE2 4.1Å; L660-F663 HydrophobicContact CB-CZ 3.71Å; L660-F663 HydrophobicContact CD1-CE1 4.5Å; L660-F663 HydrophobicContact CD1-CZ 4.01Å; F663-T683 HydrophobicContact CB-CG2 3.61Å; F663-V685 HydrophobicContact CD2-CG2 3.6Å; F663-V685 HydrophobicContact CE2-CG2 4.18Å; F663-V685 HydrophobicContact CG-CG2 4.39Å; F663-V690 HydrophobicContact CB-CG1 4.41Å; F663-V690 HydrophobicContact CD1-CG1 3.81Å; F663-V690 HydrophobicContact CD1-CG2 4.3Å; F663-V690 HydrophobicContact CD2-CG1 4.24Å; F663-V690 HydrophobicContact CD2-CG2 4.02Å; F663-V690 HydrophobicContact CE1-CG1 4.12Å; F663-V690 HydrophobicContact CE1-CG2 3.86Å; F663-V690 HydrophobicContact CE2-CG2 3.54Å; F663-V690 HydrophobicContact CG-CG1 3.87Å; F663-V690 HydrophobicContact CG-CG2 4.37Å; F663-V690 HydrophobicContact CZ-CG1 4.46Å; F663-V690 HydrophobicContact CZ-CG2 3.45Å; F663-V690 VanDerWaalsContact CZ-CG2 3.45Å; F663-L706 HydrophobicContact CD1-CD1 4.29Å; F663-L706 HydrophobicContact CD1-CG 4.49Å; F663-Y707 WeakPolarHBondContact CA-O 3.35Å; F663-T708 HydrophobicContact CE1-CG2 4.07Å; F663-T708 VanDerWaalsContact CE1-OG1 3.3Å; F663-T708 WeakPolarHBondContact CE1-OG1 3.49Å; F663-T708 WeakPolarHBondContact CZ-OG1 3.32Å
664V94.4Very high92.9Very high62 Ų6253.9 Ų53.938%0.37627%0.269SS..EExtended strand (participates in β ladder)trans-121.3123.7174.4179.50000108.1Y707 L730V664-Y707 PolarHBondContact N-O 2.85Å; V664-Y707 PolarHBondContact O-N 3.34Å; V664-L730 HydrophobicContact CB-CD1 4.5Å; V664-L730 HydrophobicContact CG2-CD1 3.72Å
665A96.5Very high92.4Very high18 Ų1862.7 Ų62.715%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-114.7127.9177.100000109.3V681 T683 V692 L704 D705 L706A665-V681 HydrophobicContact CB-CG1 3.59Å; A665-T683 WeakPolarHBondContact CB-OG1 3.45Å; A665-V692 HydrophobicContact CB-CG1 3.8Å; A665-V692 HydrophobicContact CB-CG2 4.28Å; A665-L704 HydrophobicContact CB-CD1 4.22Å; A665-D705 CarbonylContact C-O 3.59Å; A665-D705 VanDerWaalsContact CA-O 3.28Å; A665-D705 WeakPolarHBondContact CA-O 2.92Å; A665-L706 HydrophobicContact CB-CD1 3.97Å
666T96Very high92.1Very high20 Ų2065.3 Ų65.312%0.12331%0.312CS..EExtended strand (participates in β ladder)trans-120.3125.5-177.3-60.30000109.2R668 E674 L704 D705T666-R668 HydrophobicContact CG2-CG 4.17Å; T666-E674 HydrophobicContact CG2-CG 4.32Å; T666-E674 WeakPolarHBondContact CG2-OE1 3.26Å; T666-L704 CarbonylContact O-C 3.51Å; T666-L704 WeakPolarHBondContact O-CA 3.23Å; T666-D705 PolarHBondContact N-O 2.83Å; T666-D705 PolarHBondContact O-N 2.98Å
667L97Very high92Very high2 Ų264.3 Ų64.31%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-102.2136.2177-172.873.6000110.3L677 C680 V681 I694 F696 Y702 G703 L704L667-L677 HydrophobicContact CB-CB 4.26Å; L667-L677 HydrophobicContact CD2-CB 4.42Å; L667-L677 HydrophobicContact CD2-CD2 4.14Å; L667-L677 HydrophobicContact CG-CD1 4.43Å; L667-L677 WeakPolarHBondContact O-CD1 3.45Å; L667-C680 HydrophobicContact CD2-CB 4.18Å; L667-V681 HydrophobicContact CB-CG2 3.4Å; L667-V681 HydrophobicContact CD2-CG2 4.08Å; L667-V681 HydrophobicContact CG-CG2 4.28Å; L667-I694 HydrophobicContact CD1-CD1 4.44Å; L667-I694 HydrophobicContact CD1-CG2 4.37Å; L667-I694 HydrophobicContact CD2-CG2 3.84Å; L667-F696 HydrophobicContact CD1-CE1 4.37Å; L667-Y702 HydrophobicContact CD1-CD1 4.03Å; L667-Y702 HydrophobicContact CD1-CG 4.27Å; L667-Y702 HydrophobicContact CD2-CD1 3.82Å; L667-Y702 HydrophobicContact CD2-CE1 4.18Å; L667-Y702 HydrophobicContact CG-CD1 3.8Å; L667-G703 CarbonylContact C-O 3.57Å; L667-G703 WeakPolarHBondContact CA-O 3.36Å; L667-L704 HydrophobicContact CD1-CD1 4.5Å
668R95.6Very high91.9Very high48 Ų4866.1 Ų66.118%0.18131%0.309CS..EExtended strand (participates in β ladder)trans-130.7139.8-174.6-59.4-170.5168.9129.9-3.8110.2P616 E617 T666 Y702 G703 D705P616-R668 HydrophobicContact CB-CB 4.34Å; E617-R668 WeakPolarHBondContact O-CD 3.37Å; E617-R668 PolarHBondContact O-NE 2.86Å; E617-R668 PolarHBondContact O-NH1 2.84Å; T666-R668 HydrophobicContact CG2-CG 4.17Å; R668-Y702 CarbonylContact O-C 3.6Å; R668-Y702 VanDerWaalsContact O-CA 3.23Å; R668-Y702 WeakPolarHBondContact O-CA 3.22Å; R668-G703 PolarHBondContact N-O 3.07Å; R668-G703 PolarHBondContact O-N 2.88Å; R668-D705 IonicContact CZ-OD2 3.67Å; R668-D705 IonicContact NH1-OD1 2.72Å; R668-D705 PolarHBondContact NH1-OD1 2.83Å; R668-D705 IonicContact NH1-OD2 3.6Å; R668-D705 PolarHBondContact NH1-OD2 2.8Å
669K95.6Very high92Very high46 Ų4673.8 Ų73.820%0.234%0.338CS..EExtended strand (participates in β ladder)trans-142.2140.9171.4175165.3-179.2-73.40108.7F671 L672 L677 E698 Y702K669-F671 PolarHBondContact O-N 2.94Å; K669-L672 HydrophobicContact CB-CB 4.12Å; K669-L672 HydrophobicContact CB-CD2 4.27Å; K669-L672 HydrophobicContact CD-CD2 4.19Å; K669-L672 HydrophobicContact CG-CB 4.3Å; K669-L672 PolarHBondContact O-N 2.87Å; K669-L677 HydrophobicContact CB-CD1 4.08Å; K669-E698 WeakPolarHBondContact CE-OE1 3.32Å; K669-E698 IonicContact NZ-OE1 2.64Å; K669-E698 PolarHBondContact NZ-OE1 3.29Å; K669-Y702 HydrophobicContact CB-CD1 3.7Å; K669-Y702 HydrophobicContact CB-CE1 3.78Å; K669-Y702 HydrophobicContact CB-CG 4.39Å; K669-Y702 HydrophobicContact CD-CD1 4.08Å; K669-Y702 HydrophobicContact CD-CD2 4.38Å; K669-Y702 HydrophobicContact CD-CE1 3.52Å; K669-Y702 HydrophobicContact CD-CE2 3.83Å; K669-Y702 HydrophobicContact CD-CG 4.49Å; K669-Y702 HydrophobicContact CG-CD1 4.43Å; K669-Y702 HydrophobicContact CG-CE1 4.26Å
670N93.9Very high92.4Very high21 Ų2170.8 Ų70.811%0.11232%0.319CS..THydrogen-bonded Turntrans-58.5140.3177.6-64.3-16.2000110.8R550 V613 P614 P616 L672R550-N670 VanDerWaalsContact NH2-CG 3.34Å; R550-N670 PolarHBondContact NH2-OD1 3.28Å; V613-N670 WeakPolarHBondContact CG1-ND2 3.28Å; P614-N670 PolarHBondContact O-ND2 3.36Å; P616-N670 WeakPolarHBondContact CA-OD1 3.47Å; N670-L672 PolarHBondContact O-N 2.86Å; N670-L672 VanDerWaalsContact O-N 3.14Å
671F90.6Very high92.7Very high202 Ų20271.1 Ų71.189%0.88632%0.321SS*.THydrogen-bonded Turntrans63.311.8177.1-40.7-70.8000114.8K669K669-F671 PolarHBondContact O-N 2.94Å
672L91.4Very high93.1Very high25 Ų2574.1 Ų74.113%0.13134%0.337CS..SBendtrans-119.3134.4177.7-168.662.3000110.1K669 N670 E674 R676 L677K669-L672 HydrophobicContact CB-CB 4.12Å; K669-L672 HydrophobicContact CB-CD2 4.27Å; K669-L672 HydrophobicContact CD-CD2 4.19Å; K669-L672 HydrophobicContact CG-CB 4.3Å; K669-L672 PolarHBondContact O-N 2.87Å; N670-L672 PolarHBondContact O-N 2.86Å; N670-L672 VanDerWaalsContact O-N 3.14Å; L672-E674 PolarHBondContact O-N 2.94Å; L672-R676 VanDerWaalsContact CD1-NH1 3.3Å; L672-L677 HydrophobicContact CD2-CD1 4.07Å; L672-L677 HydrophobicContact CD2-CD2 3.56Å; L672-L677 HydrophobicContact CD2-CG 3.91Å; L672-L677 HydrophobicContact CG-CD1 4.46Å; L672-L677 HydrophobicContact CG-CD2 4.5Å; L672-L677 HydrophobicContact CG-CG 4.37Å
673D88.5Confident93.4Very high89 Ų8971.9 Ų71.948%0.47633%0.33SS..  trans-66.4130.1177.8-176.63.8000110.9R675 R676D673-R675 PolarHBondContact O-N 2.69Å; D673-R675 PolarHBondContact OD1-N 2.77Å; D673-R676 HydrophobicContact CB-CG 4.41Å; D673-R676 WeakPolarHBondContact O-CB 3.46Å; D673-R676 PolarHBondContact O-N 3.42Å; D673-R676 VanDerWaalsContact O-N 3.08Å
674E87.1Confident93.5Very high84 Ų8473.5 Ų73.539%0.39334%0.342SS..Hα-helixtrans-54.9-37.2178.4-175.9173.8179.400111.9T666 L672 R676 L677 E678T666-E674 HydrophobicContact CG2-CG 4.32Å; T666-E674 WeakPolarHBondContact CG2-OE1 3.26Å; L672-E674 PolarHBondContact O-N 2.94Å; E674-R676 PolarHBondContact O-N 3.18Å; E674-R676 VanDerWaalsContact O-N 3.13Å; E674-L677 WeakPolarHBondContact O-CA 3.37Å; E674-L677 WeakPolarHBondContact O-CB 3.49Å; E674-L677 PolarHBondContact O-N 2.77Å; E674-E678 PolarHBondContact O-N 2.77Å
675R88.6Confident93.5Very high187 Ų18774 Ų7471%0.70635%0.345SS*.Hα-helixtrans-60.3-28179.8-65.3177.91771791113.3D673 L677D673-R675 PolarHBondContact O-N 2.69Å; D673-R675 PolarHBondContact OD1-N 2.77Å; R675-L677 VanDerWaalsContact C-N 3.33Å
676R89.2Confident93.3Very high161 Ų16182.6 Ų82.661%0.60837%0.374SS*.Hα-helixtrans-75.3-27.4176.1-65.5-179.961.2-167.1-6.1111.7L672 D673 E674L672-R676 VanDerWaalsContact CD1-NH1 3.3Å; D673-R676 HydrophobicContact CB-CG 4.41Å; D673-R676 WeakPolarHBondContact O-CB 3.46Å; D673-R676 PolarHBondContact O-N 3.42Å; D673-R676 VanDerWaalsContact O-N 3.08Å; E674-R676 PolarHBondContact O-N 3.18Å; E674-R676 VanDerWaalsContact O-N 3.13Å
677L94.2Very high93Very high1 Ų186.1 Ų86.11%0.00541%0.405CS..Hα-helixtrans-90.4-20.3-176.7-63.8179.1000113.4L667 K669 L672 E674 R675 R679 C680 P697 Y702L667-L677 HydrophobicContact CB-CB 4.26Å; L667-L677 HydrophobicContact CD2-CB 4.42Å; L667-L677 HydrophobicContact CD2-CD2 4.14Å; L667-L677 HydrophobicContact CG-CD1 4.43Å; L667-L677 WeakPolarHBondContact O-CD1 3.45Å; K669-L677 HydrophobicContact CB-CD1 4.08Å; L672-L677 HydrophobicContact CD2-CD1 4.07Å; L672-L677 HydrophobicContact CD2-CD2 3.56Å; L672-L677 HydrophobicContact CD2-CG 3.91Å; L672-L677 HydrophobicContact CG-CD1 4.46Å; L672-L677 HydrophobicContact CG-CD2 4.5Å; L672-L677 HydrophobicContact CG-CG 4.37Å; E674-L677 WeakPolarHBondContact O-CA 3.37Å; E674-L677 WeakPolarHBondContact O-CB 3.49Å; E674-L677 PolarHBondContact O-N 2.77Å; R675-L677 VanDerWaalsContact C-N 3.33Å; L677-R679 PolarHBondContact O-N 2.86Å; L677-C680 VanDerWaalsContact O-CB 3.26Å; L677-C680 WeakPolarHBondContact O-CB 3.39Å; L677-C680 PolarHBondContact O-N 2.96Å; L677-P697 HydrophobicContact CD2-CG 3.83Å; L677-Y702 HydrophobicContact CD2-CE1 3.94Å
678E91.5Very high92.9Very high124 Ų12489.3 Ų89.358%0.57942%0.422SS*.G310 helixtrans-52.6-38.5176.5-73.8175.1-173.600112.7E674 C680E674-E678 PolarHBondContact O-N 2.77Å; E678-C680 VanDerWaalsContact C-N 3.28Å; E678-C680 PolarHBondContact O-N 3Å
679R91.8Very high93Very high230 Ų23089 Ų8987%0.86842%0.423SS*.G310 helixtrans-76-15179.9-60.9-177-177.4-171.6-0.1113.7L677 V681L677-R679 PolarHBondContact O-N 2.86Å; R679-V681 VanDerWaalsContact C-N 3.32Å
680C94.9Very high93Very high20 Ų2086.8 Ų86.814%0.13541%0.414CS..G310 helixtrans-83.3-11.6-178.2-66.60000112.5L667 L677 E678 I694 V695L667-C680 HydrophobicContact CD2-CB 4.18Å; L677-C680 VanDerWaalsContact O-CB 3.26Å; L677-C680 WeakPolarHBondContact O-CB 3.39Å; L677-C680 PolarHBondContact O-N 2.96Å; E678-C680 VanDerWaalsContact C-N 3.28Å; E678-C680 PolarHBondContact O-N 3Å; C680-I694 CarbonylContact O-C 3.54Å; C680-I694 VanDerWaalsContact O-CA 3.28Å; C680-I694 WeakPolarHBondContact O-CA 3.3Å; C680-V695 WeakPolarHBondContact CB-O 3.47Å; C680-V695 PolarHBondContact O-N 3.45Å; C680-V695 PolarHBondContact SG-O 3.08Å
681V96.6Very high93.2Very high18 Ų1886.2 Ų86.211%0.10941%0.412CS..EExtended strand (participates in β ladder)trans-118.8131.7-175.4-170.30000110A665 L667 R679 V692 R693 I694A665-V681 HydrophobicContact CB-CG1 3.59Å; L667-V681 HydrophobicContact CB-CG2 3.4Å; L667-V681 HydrophobicContact CD2-CG2 4.08Å; L667-V681 HydrophobicContact CG-CG2 4.28Å; R679-V681 VanDerWaalsContact C-N 3.32Å; V681-V692 HydrophobicContact CG1-CG1 3.68Å; V681-R693 WeakPolarHBondContact CA-O 3.29Å; V681-I694 HydrophobicContact CG1-CG1 4.43Å; V681-I694 HydrophobicContact CG2-CG1 4.49Å
682T96.7Very high93.5Very high84 Ų8476.6 Ų76.652%0.51537%0.37SS..EExtended strand (participates in β ladder)trans-130.2129.4172.5-56.40000109.2T684 R693T682-T684 HydrophobicContact CG2-CG2 4.4Å; T682-R693 PolarHBondContact N-O 3.06Å; T682-R693 PolarHBondContact O-N 3.17Å
683T96.7Very high93.8Very high42 Ų4281.2 Ų81.226%0.25839%0.386SS..EExtended strand (participates in β ladder)trans-107.3133.2175.7-54.40000109.8F663 A665 V690 A691 V692F663-T683 HydrophobicContact CB-CG2 3.61Å; A665-T683 WeakPolarHBondContact CB-OG1 3.45Å; T683-V690 HydrophobicContact CG2-CG1 4.05Å; T683-A691 CarbonylContact C-O 3.55Å; T683-A691 WeakPolarHBondContact CA-O 3.25Å; T683-V692 HydrophobicContact CG2-CG2 4.22Å
684T96.2Very high94.3Very high59 Ų5977 Ų7736%0.36236%0.363SS..EExtended strand (participates in β ladder)trans-127.4140.7175.861.80000109.8T682 V690 A691T682-T684 HydrophobicContact CG2-CG2 4.4Å; T684-V690 WeakPolarHBondContact O-CA 3.38Å; T684-A691 PolarHBondContact N-O 2.87Å; T684-A691 PolarHBondContact O-N 2.86Å; T684-A691 PolarHBondContact OG1-O 2.91Å
685V94.5Very high94.7Very high73 Ų7375.9 Ų75.944%0.44236%0.362SS..EExtended strand (participates in β ladder)trans-121.4120.5175.9-1730000107.4M656 F663 I689 V690M656-V685 HydrophobicContact CE-CG1 3.73Å; F663-V685 HydrophobicContact CD2-CG2 3.6Å; F663-V685 HydrophobicContact CE2-CG2 4.18Å; F663-V685 HydrophobicContact CG-CG2 4.39Å; V685-I689 WeakPolarHBondContact CA-O 3.3Å; V685-V690 HydrophobicContact CG1-CG2 4.37Å; V685-V690 HydrophobicContact CG2-CG1 4.48Å; V685-V690 HydrophobicContact CG2-CG2 4.31Å
686R93.1Very high95Very high198 Ų19867.7 Ų67.775%0.74733%0.332SS*.EExtended strand (participates in β ladder)trans-129.4114.4177.1-67.1-175.8-177.9177.41.9108.4D688 I689R686-D688 PolarHBondContact O-N 3.49Å; R686-D688 VanDerWaalsContact O-N 3.17Å; R686-I689 PolarHBondContact N-O 3.13Å; R686-I689 PolarHBondContact O-N 3.25Å
687A90.6Very high95.2Very high95 Ų9563.4 Ų63.479%0.78532%0.324SS*.THydrogen-bonded Turntrans51.6-117.6-172.800000111.1M656M656-A687 VanDerWaalsContact CE-O 3.26Å; M656-A687 WeakPolarHBondContact CE-O 3.43Å
688D94.3Very high95.1Very high69 Ų6967.4 Ų67.437%0.36934%0.343SS..THydrogen-bonded Turntrans-911.1178.666-37000113.6R655 M656 R686R655-D688 CarbonylContact C-O 3.59Å; R655-D688 WeakPolarHBondContact CA-O 3.35Å; R655-D688 WeakPolarHBondContact CD-OD2 3.3Å; R655-D688 HydrophobicContact CG-CB 4.48Å; R655-D688 VanDerWaalsContact CG-OD2 3.25Å; R655-D688 WeakPolarHBondContact CG-OD2 3.49Å; R655-D688 IonicContact NE-OD2 3.61Å; R655-D688 PolarHBondContact NE-OD2 2.82Å; M656-D688 PolarHBondContact N-O 2.83Å; R686-D688 PolarHBondContact O-N 3.49Å; R686-D688 VanDerWaalsContact O-N 3.17Å
689I97Very high95.1Very high40 Ų4067.7 Ų67.721%0.20534%0.344CS..EExtended strand (participates in β ladder)trans-104.9127.9-175-53.1-59.9000111.4L637 F654 R655 V685 R686L637-I689 HydrophobicContact CD1-CD1 3.63Å; F654-I689 WeakPolarHBondContact O-CA 3.49Å; R655-I689 HydrophobicContact CB-CD1 3.99Å; R655-I689 HydrophobicContact CG-CD1 4.16Å; V685-I689 WeakPolarHBondContact CA-O 3.3Å; R686-I689 PolarHBondContact N-O 3.13Å; R686-I689 PolarHBondContact O-N 3.25Å
690V96.4Very high95.3Very high0 Ų058.2 Ų58.20%032%0.318CS..EExtended strand (participates in β ladder)trans-106.9123.6171.1-176.70000108R653 F654 M656 F663 T683 T684 V685R653-V690 CarbonylContact C-O 3.45Å; R653-V690 WeakPolarHBondContact CA-O 3.4Å; F654-V690 HydrophobicContact CB-CB 4.4Å; F654-V690 PolarHBondContact N-O 2.64Å; F654-V690 PolarHBondContact O-N 3.08Å; M656-V690 HydrophobicContact CE-CG2 4.11Å; M656-V690 HydrophobicContact CG-CG2 3.82Å; M656-V690 HydrophobicContact SD-CG2 3.68Å; F663-V690 HydrophobicContact CB-CG1 4.41Å; F663-V690 HydrophobicContact CD1-CG1 3.81Å; F663-V690 HydrophobicContact CD1-CG2 4.3Å; F663-V690 HydrophobicContact CD2-CG1 4.24Å; F663-V690 HydrophobicContact CD2-CG2 4.02Å; F663-V690 HydrophobicContact CE1-CG1 4.12Å; F663-V690 HydrophobicContact CE1-CG2 3.86Å; F663-V690 HydrophobicContact CE2-CG2 3.54Å; F663-V690 HydrophobicContact CG-CG1 3.87Å; F663-V690 HydrophobicContact CG-CG2 4.37Å; F663-V690 HydrophobicContact CZ-CG1 4.46Å; F663-V690 HydrophobicContact CZ-CG2 3.45Å; F663-V690 VanDerWaalsContact CZ-CG2 3.45Å; T683-V690 HydrophobicContact CG2-CG1 4.05Å; T684-V690 WeakPolarHBondContact O-CA 3.38Å; V685-V690 HydrophobicContact CG1-CG2 4.37Å; V685-V690 HydrophobicContact CG2-CG1 4.48Å; V685-V690 HydrophobicContact CG2-CG2 4.31Å
691A97.5Very high95.3Very high9 Ų960.1 Ų60.17%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-121.1125.717700000110.4E651 I652 R653 T683 T684E651-A691 HydrophobicContact CG-CB 4.45Å; I652-A691 CarbonylContact O-C 3.54Å; I652-A691 WeakPolarHBondContact O-CA 3.4Å; R653-A691 HydrophobicContact CG-CB 3.94Å; T683-A691 CarbonylContact C-O 3.55Å; T683-A691 WeakPolarHBondContact CA-O 3.25Å; T684-A691 PolarHBondContact N-O 2.87Å; T684-A691 PolarHBondContact O-N 2.86Å; T684-A691 PolarHBondContact OG1-O 2.91Å
692V97.6Very high95.3Very high1 Ų159.2 Ų59.21%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-106.9110.3173.9-176.30000107.6E651 I652 A665 V681 T683 I694 L704 L706E651-V692 WeakPolarHBondContact CA-O 3.46Å; I652-V692 PolarHBondContact N-O 3.3Å; I652-V692 PolarHBondContact O-N 2.82Å; A665-V692 HydrophobicContact CB-CG1 3.8Å; A665-V692 HydrophobicContact CB-CG2 4.28Å; V681-V692 HydrophobicContact CG1-CG1 3.68Å; T683-V692 HydrophobicContact CG2-CG2 4.22Å; V692-I694 HydrophobicContact CG1-CD1 4.48Å; V692-I694 HydrophobicContact CG1-CG1 4.18Å; V692-L704 HydrophobicContact CG1-CD1 4.3Å; V692-L704 HydrophobicContact CG1-CD2 4.29Å; V692-L706 HydrophobicContact CG2-CD1 4.04Å
693R97.8Very high95.4Very high122 Ų12255.2 Ų55.246%0.4630%0.295SS..EExtended strand (participates in β ladder)trans-97.9132.9175.4-172.8174.9179.9-136-0.3109.5E649 L650 V681 T682E649-R693 VanDerWaalsContact CD-NH2 3.35Å; E649-R693 IonicContact OE1-NH2 3.27Å; E649-R693 PolarHBondContact OE1-NH2 3.16Å; E649-R693 IonicContact OE2-CZ 2.67Å; E649-R693 IonicContact OE2-NE 2.99Å; E649-R693 IonicContact OE2-NH2 2.72Å; E649-R693 PolarHBondContact OE2-NH2 3.44Å; L650-R693 CarbonylContact O-C 3.42Å; L650-R693 WeakPolarHBondContact O-CA 3.44Å; V681-R693 WeakPolarHBondContact CA-O 3.29Å; T682-R693 PolarHBondContact N-O 3.06Å; T682-R693 PolarHBondContact O-N 3.17Å
694I97.7Very high95.4Very high0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-126.3132.1-178.3-52.1169.5000108.8E649 L650 L667 C680 V681 V692 F696 L704 I738E649-I694 WeakPolarHBondContact CA-O 3.27Å; L650-I694 HydrophobicContact CB-CB 4.48Å; L650-I694 HydrophobicContact CD2-CD1 4.4Å; L650-I694 PolarHBondContact N-O 2.85Å; L650-I694 PolarHBondContact O-N 2.83Å; L667-I694 HydrophobicContact CD1-CD1 4.44Å; L667-I694 HydrophobicContact CD1-CG2 4.37Å; L667-I694 HydrophobicContact CD2-CG2 3.84Å; C680-I694 CarbonylContact O-C 3.54Å; C680-I694 VanDerWaalsContact O-CA 3.28Å; C680-I694 WeakPolarHBondContact O-CA 3.3Å; V681-I694 HydrophobicContact CG1-CG1 4.43Å; V681-I694 HydrophobicContact CG2-CG1 4.49Å; V692-I694 HydrophobicContact CG1-CD1 4.48Å; V692-I694 HydrophobicContact CG1-CG1 4.18Å; I694-F696 HydrophobicContact CB-CE1 4.42Å; I694-F696 HydrophobicContact CB-CE2 4.47Å; I694-F696 HydrophobicContact CB-CZ 4.07Å; I694-F696 HydrophobicContact CD1-CZ 4.45Å; I694-F696 HydrophobicContact CG2-CD1 3.87Å; I694-F696 HydrophobicContact CG2-CE1 3.48Å; I694-F696 VanDerWaalsContact CG2-CE1 3.48Å; I694-F696 HydrophobicContact CG2-CE2 4.17Å; I694-F696 HydrophobicContact CG2-CG 4.36Å; I694-F696 HydrophobicContact CG2-CZ 3.61Å; I694-L704 HydrophobicContact CD1-CD1 3.97Å; I694-L704 HydrophobicContact CD1-CD2 3.98Å; I694-L704 HydrophobicContact CD1-CG 4.44Å; I694-I738 HydrophobicContact CD1-CD1 3.88Å
695V96.4Very high95.5Very high61 Ų6150.6 Ų50.637%0.3727%0.267SS..EExtended strand (participates in β ladder)trans-117.2108.9170.9-177.90000107.4E649 C680E649-V695 HydrophobicContact CG-CG1 4.45Å; E649-V695 HydrophobicContact CG-CG2 4.23Å; C680-V695 WeakPolarHBondContact CB-O 3.47Å; C680-V695 PolarHBondContact O-N 3.45Å; C680-V695 PolarHBondContact SG-O 3.08Å
696F95.4Very high95.6Very high15 Ų1547.3 Ų47.37%0.06625%0.247CC..  trans-76131.5-173.6-59.8-76.9000110.7A646 G647 P648 L650 L667 I694 Y702 I738 T740A646-F696 HydrophobicContact CB-CE2 4.06Å; G647-F696 WeakPolarHBondContact O-CD2 3.28Å; P648-F696 WeakPolarHBondContact O-CD2 3.35Å; P648-F696 PolarHBondContact O-N 3.21Å; L650-F696 HydrophobicContact CB-CE2 3.72Å; L650-F696 HydrophobicContact CB-CZ 4.02Å; L650-F696 HydrophobicContact CD2-CZ 4.17Å; L667-F696 HydrophobicContact CD1-CE1 4.37Å; I694-F696 HydrophobicContact CB-CE1 4.42Å; I694-F696 HydrophobicContact CB-CE2 4.47Å; I694-F696 HydrophobicContact CB-CZ 4.07Å; I694-F696 HydrophobicContact CD1-CZ 4.45Å; I694-F696 HydrophobicContact CG2-CD1 3.87Å; I694-F696 HydrophobicContact CG2-CE1 3.48Å; I694-F696 VanDerWaalsContact CG2-CE1 3.48Å; I694-F696 HydrophobicContact CG2-CE2 4.17Å; I694-F696 HydrophobicContact CG2-CG 4.36Å; I694-F696 HydrophobicContact CG2-CZ 3.61Å; F696-Y702 HydrophobicContact CD1-CD1 4.29Å; F696-Y702 AromaticContact CD1-CD2 3.79Å; F696-Y702 HydrophobicContact CD1-CD2 3.79Å; F696-Y702 HydrophobicContact CD1-CE1 4.3Å; F696-Y702 AromaticContact CD1-CE2 3.83Å; F696-Y702 HydrophobicContact CD1-CE2 3.83Å; F696-Y702 HydrophobicContact CD1-CG 4.03Å; F696-Y702 HydrophobicContact CE1-CD2 4.1Å; F696-Y702 HydrophobicContact CE1-CG 4.11Å; F696-I738 HydrophobicContact CE1-CG2 4.11Å; F696-I738 HydrophobicContact CE2-CG2 4.42Å; F696-I738 HydrophobicContact CZ-CD1 4.39Å; F696-I738 HydrophobicContact CZ-CG2 3.64Å; F696-T740 HydrophobicContact CB-CG2 4.04Å; F696-T740 HydrophobicContact CD1-CG2 3.95Å; F696-T740 HydrophobicContact CD2-CG2 4.22Å; F696-T740 HydrophobicContact CG-CG2 3.79Å
697P91.9Very high95.6Very high70 Ų7039.9 Ų39.946%0.45522%0.219SC..SBendtrans-74.8-27.9179.829-33.6000112.9L677 Y702L677-P697 HydrophobicContact CD2-CG 3.83Å; P697-Y702 WeakPolarHBondContact CD-OH 3.44Å
698E92.2Very high95.8Very high85 Ų8535.3 Ų35.340%0.39718%0.182SC..SBendtrans-155.9162.6-179.160.3-174.4-166.400110.4K669 Y702K669-E698 WeakPolarHBondContact CE-OE1 3.32Å; K669-E698 IonicContact NZ-OE1 2.64Å; K669-E698 PolarHBondContact NZ-OE1 3.29Å; E698-Y702 WeakPolarHBondContact CG-OH 3.21Å; E698-Y702 PolarHBondContact N-OH 2.87Å; E698-Y702 WeakPolarHBondContact O-CE2 3.38Å; E698-Y702 PolarHBondContact O-OH 2.79Å
699E93.1Very high95.5Very high130 Ų13033.3 Ų33.361%0.60717%0.169SC*.SBendtrans-64.5161.8175.466.6174-171.800112.9
700G94.5Very high94.8Very high31 Ų3134.9 Ų34.932%0.3218%0.175SC..EExtended strand (participates in β ladder)trans129.4-158.8173.500000114T740G700-T740 PolarHBondContact N-O 2.9Å; G700-T740 VanDerWaalsContact N-O 3.14Å; G700-T740 WeakPolarHBondContact O-CG2 3.3Å; G700-T740 PolarHBondContact O-N 2.83Å
701Q95.9Very high94.1Very high60 Ų6040.3 Ų40.328%0.2820%0.2SC..EExtended strand (participates in β ladder)trans-107.7123.9-173.9-174.7173.892.400111.3P616 L737 I738 N739P616-Q701 HydrophobicContact CG-CG 4.33Å; Q701-L737 HydrophobicContact CG-CD1 3.57Å; Q701-L737 HydrophobicContact CG-CG 4.14Å; Q701-I738 WeakPolarHBondContact CA-O 3.36Å; Q701-N739 PolarHBondContact NE2-OD1 2.83Å; Q701-N739 VanDerWaalsContact NE2-OD1 3.09Å
702Y97.1Very high92.8Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-119.8152.6-178.6-65.3-101.2000110.9L667 R668 K669 L677 F696 P697 E698 I738 T740L667-Y702 HydrophobicContact CD1-CD1 4.03Å; L667-Y702 HydrophobicContact CD1-CG 4.27Å; L667-Y702 HydrophobicContact CD2-CD1 3.82Å; L667-Y702 HydrophobicContact CD2-CE1 4.18Å; L667-Y702 HydrophobicContact CG-CD1 3.8Å; R668-Y702 CarbonylContact O-C 3.6Å; R668-Y702 VanDerWaalsContact O-CA 3.23Å; R668-Y702 WeakPolarHBondContact O-CA 3.22Å; K669-Y702 HydrophobicContact CB-CD1 3.7Å; K669-Y702 HydrophobicContact CB-CE1 3.78Å; K669-Y702 HydrophobicContact CB-CG 4.39Å; K669-Y702 HydrophobicContact CD-CD1 4.08Å; K669-Y702 HydrophobicContact CD-CD2 4.38Å; K669-Y702 HydrophobicContact CD-CE1 3.52Å; K669-Y702 HydrophobicContact CD-CE2 3.83Å; K669-Y702 HydrophobicContact CD-CG 4.49Å; K669-Y702 HydrophobicContact CG-CD1 4.43Å; K669-Y702 HydrophobicContact CG-CE1 4.26Å; L677-Y702 HydrophobicContact CD2-CE1 3.94Å; F696-Y702 HydrophobicContact CD1-CD1 4.29Å; F696-Y702 AromaticContact CD1-CD2 3.79Å; F696-Y702 HydrophobicContact CD1-CD2 3.79Å; F696-Y702 HydrophobicContact CD1-CE1 4.3Å; F696-Y702 AromaticContact CD1-CE2 3.83Å; F696-Y702 HydrophobicContact CD1-CE2 3.83Å; F696-Y702 HydrophobicContact CD1-CG 4.03Å; F696-Y702 HydrophobicContact CE1-CD2 4.1Å; F696-Y702 HydrophobicContact CE1-CG 4.11Å; P697-Y702 WeakPolarHBondContact CD-OH 3.44Å; E698-Y702 WeakPolarHBondContact CG-OH 3.21Å; E698-Y702 PolarHBondContact N-OH 2.87Å; E698-Y702 WeakPolarHBondContact O-CE2 3.38Å; E698-Y702 PolarHBondContact O-OH 2.79Å; Y702-I738 PolarHBondContact N-O 2.89Å; Y702-I738 PolarHBondContact O-N 3.14Å; Y702-T740 HydrophobicContact CD2-CG2 3.65Å; Y702-T740 HydrophobicContact CE2-CG2 3.35Å
703G97.3Very high90.5Very high0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-113.2129.4168.700000109.2C618 L667 R668 Y736C618-G703 VanDerWaalsContact SG-CA 3.52Å; L667-G703 CarbonylContact C-O 3.57Å; L667-G703 WeakPolarHBondContact CA-O 3.36Å; R668-G703 PolarHBondContact N-O 3.07Å; R668-G703 PolarHBondContact O-N 2.88Å; G703-Y736 WeakPolarHBondContact CA-O 3.4Å
704L97.6Very high87.9Confident4 Ų447.6 Ų47.62%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-105.1127.2171.4178.972.4000108.5I652 A665 T666 L667 V692 I694 K735 Y736 I738I652-L704 HydrophobicContact CD1-CD2 3.57Å; A665-L704 HydrophobicContact CB-CD1 4.22Å; T666-L704 CarbonylContact O-C 3.51Å; T666-L704 WeakPolarHBondContact O-CA 3.23Å; L667-L704 HydrophobicContact CD1-CD1 4.5Å; V692-L704 HydrophobicContact CG1-CD1 4.3Å; V692-L704 HydrophobicContact CG1-CD2 4.29Å; I694-L704 HydrophobicContact CD1-CD1 3.97Å; I694-L704 HydrophobicContact CD1-CD2 3.98Å; I694-L704 HydrophobicContact CD1-CG 4.44Å; L704-K735 CarbonylContact O-C 3.6Å; L704-K735 WeakPolarHBondContact O-CA 3.47Å; L704-K735 WeakPolarHBondContact O-CB 3.35Å; L704-Y736 HydrophobicContact CD2-CD2 4.29Å; L704-Y736 PolarHBondContact N-O 3.36Å; L704-Y736 PolarHBondContact O-N 3.5Å; L704-I738 HydrophobicContact CB-CD1 3.86Å
705D97.3Very high85.3Confident0 Ų052 Ų520%031%0.305CS..EExtended strand (participates in β ladder)trans-106.9139.4166.2-74.7-100.9000110C618 S619 A665 T666 R668 Y707 H732C618-D705 VanDerWaalsContact CA-OD2 3.23Å; C618-D705 WeakPolarHBondContact CA-OD2 3.49Å; C618-D705 WeakPolarHBondContact CB-OD2 3.39Å; C618-D705 PolarHBondContact SG-OD2 2.91Å; S619-D705 WeakPolarHBondContact CB-OD1 3.47Å; S619-D705 PolarHBondContact N-OD1 2.94Å; S619-D705 PolarHBondContact OG-OD1 2.79Å; A665-D705 CarbonylContact C-O 3.59Å; A665-D705 VanDerWaalsContact CA-O 3.28Å; A665-D705 WeakPolarHBondContact CA-O 2.92Å; T666-D705 PolarHBondContact N-O 2.83Å; T666-D705 PolarHBondContact O-N 2.98Å; R668-D705 IonicContact CZ-OD2 3.67Å; R668-D705 IonicContact NH1-OD1 2.72Å; R668-D705 PolarHBondContact NH1-OD1 2.83Å; R668-D705 IonicContact NH1-OD2 3.6Å; R668-D705 PolarHBondContact NH1-OD2 2.8Å; D705-Y707 HydrophobicContact CB-CD2 4.43Å; D705-Y707 HydrophobicContact CB-CE2 3.57Å; D705-H732 IonicContact OD1-CD2 2.65Å; D705-H732 PolarHBondContact OD1-CD2 3.41Å; D705-H732 IonicContact OD1-NE2 3.6Å; D705-H732 PolarHBondContact OD1-NE2 2.94Å
706L96.4Very high82.4Confident4 Ų458.7 Ų58.72%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-121.2131.7174.6-170.463.2000109.2M634 F654 F663 A665 V692 H732 C733 C734M634-L706 HydrophobicContact CE-CD2 3.72Å; F654-L706 HydrophobicContact CD2-CD2 4.28Å; F654-L706 HydrophobicContact CE2-CD2 3.91Å; F663-L706 HydrophobicContact CD1-CD1 4.29Å; F663-L706 HydrophobicContact CD1-CG 4.49Å; A665-L706 HydrophobicContact CB-CD1 3.97Å; V692-L706 HydrophobicContact CG2-CD1 4.04Å; L706-H732 PolarHBondContact O-CD2 2.77Å; L706-C733 PolarHBondContact O-N 2.91Å; L706-C733 PolarHBondContact O-SG 3.09Å; L706-C734 HydrophobicContact CB-CB 4.05Å; L706-C734 HydrophobicContact CD2-CB 4.36Å; L706-C734 PolarHBondContact N-O 2.86Å; L706-C734 PolarHBondContact O-N 3.26Å
707Y94.5Very high79.3Confident41 Ų4167.7 Ų67.716%0.16137%0.368CS..EExtended strand (participates in β ladder)trans-122.8143.9177.3-53.1-99.7000109.5S619 F663 V664 D705 T731 H732S619-Y707 PolarHBondContact OG-OH 2.78Å; F663-Y707 WeakPolarHBondContact CA-O 3.35Å; V664-Y707 PolarHBondContact N-O 2.85Å; V664-Y707 PolarHBondContact O-N 3.34Å; D705-Y707 HydrophobicContact CB-CD2 4.43Å; D705-Y707 HydrophobicContact CB-CE2 3.57Å; Y707-T731 WeakPolarHBondContact CA-O 3.38Å; Y707-H732 VanDerWaalsContact CD1-CA 3.45Å; Y707-H732 HydrophobicContact CD1-CB 3.77Å; Y707-H732 HydrophobicContact CE1-CB 3.65Å
708T93Very high76.5Confident0 Ų069.5 Ų69.50%038%0.382CS..EExtended strand (participates in β ladder)trans-153.1173.4175.2-168.60000110.1F632 M634 L660 A661 E662 F663 T731 C733F632-T708 HydrophobicContact CD1-CG2 3.47Å; F632-T708 VanDerWaalsContact CD1-CG2 3.47Å; F632-T708 HydrophobicContact CE1-CG2 3.85Å; F632-T708 HydrophobicContact CG-CG2 4.38Å; M634-T708 HydrophobicContact SD-CG2 4.26Å; L660-T708 HydrophobicContact CD1-CG2 4.1Å; A661-T708 PolarHBondContact O-OG1 2.83Å; E662-T708 WeakPolarHBondContact O-CA 3.34Å; F663-T708 HydrophobicContact CE1-CG2 4.07Å; F663-T708 VanDerWaalsContact CE1-OG1 3.3Å; F663-T708 WeakPolarHBondContact CE1-OG1 3.49Å; F663-T708 WeakPolarHBondContact CZ-OG1 3.32Å; T708-T731 PolarHBondContact N-O 2.97Å; T708-T731 PolarHBondContact O-N 2.95Å; T708-C733 HydrophobicContact CG2-CB 3.87Å
709R88.4Confident73.8Confident27 Ų2772.7 Ų72.710%0.10241%0.407CS..EExtended strand (participates in β ladder)trans-141.1161172.564.4173.4-166.8-135.8-3.7111.2L660 A661 E662 A728 L730L660-R709 WeakPolarHBondContact CA-O 3.34Å; A661-R709 PolarHBondContact N-O 2.83Å; A661-R709 WeakPolarHBondContact O-CG 3.3Å; A661-R709 PolarHBondContact O-N 3.44Å; E662-R709 IonicContact OE1-CZ 3.95Å; E662-R709 IonicContact OE1-NH1 2.62Å; E662-R709 IonicContact OE1-NH2 3.04Å; E662-R709 PolarHBondContact OE1-NH2 2.69Å; E662-R709 IonicContact OE2-CZ 3.96Å; E662-R709 IonicContact OE2-NE 3.6Å; E662-R709 IonicContact OE2-NH1 3.26Å; E662-R709 PolarHBondContact OE2-NH1 2.81Å; E662-R709 IonicContact OE2-NH2 3.3Å; E662-R709 PolarHBondContact OE2-NH2 3.4Å; E662-R709 VanDerWaalsContact OE2-NH2 3.12Å; R709-A728 HydrophobicContact CB-CB 4.26Å; R709-A728 WeakPolarHBondContact CD-O 3.4Å; R709-L730 HydrophobicContact CB-CD2 4.42Å; R709-L730 HydrophobicContact CG-CD2 4.25Å
710E83.5Confident70.9Confident72 Ų7270.3 Ų70.334%0.33642%0.418SS..EExtended strand (participates in β ladder)trans-67.5139.7173.7-163.6160.9-132.300110.6L588 R658 T712L588-E710 HydrophobicContact CD1-CB 4.31Å; R658-E710 IonicContact CZ-OE1 3.46Å; R658-E710 IonicContact NH1-OE1 2.77Å; R658-E710 PolarHBondContact NH1-OE1 2.79Å; E710-T712 PolarHBondContact O-N 2.92Å; E710-T712 VanDerWaalsContact O-N 3.15Å
711E81.7Confident67.9Low114 Ų11473.6 Ų73.653%0.53344%0.442SS..  trans-75101.7171.5-170.1167-163.300108.3P659 A661 A713P659-E711 HydrophobicContact CB-CB 4.09Å; P659-E711 WeakPolarHBondContact CB-OE2 3.36Å; A661-E711 HydrophobicContact CB-CB 4.17Å; A661-E711 HydrophobicContact CB-CG 4.37Å; E711-A713 PolarHBondContact O-N 3.29Å; E711-A713 VanDerWaalsContact O-N 3.14Å
712T68.6Low64.8Low76 Ų7675.9 Ų75.947%0.46647%0.471SS..  trans-66.7114.817646.60000109E710 G726E710-T712 PolarHBondContact O-N 2.92Å; E710-T712 VanDerWaalsContact O-N 3.15Å; T712-G726 PolarHBondContact OG1-O 3.14Å
713A50.8Low61.7Low82 Ų8279.8 Ų79.868%0.67851%0.511SS*.PPolyproline II helixtrans-55.1139163.200000108.1E711 A715E711-A713 PolarHBondContact O-N 3.29Å; E711-A713 VanDerWaalsContact O-N 3.14Å; A713-A715 PolarHBondContact O-N 3.46Å
714P43.3Very low58.8Low127 Ų12785 Ų8583%0.82555%0.547SS*.PPolyproline II helixtrans-54.3116.9-176.819.4-30.3000109.4K716P714-K716 PolarHBondContact O-N 2.94Å; P714-K716 VanDerWaalsContact O-N 3.12Å
715A41.9Very low56.2Low92 Ų9290.2 Ų90.276%0.7659%0.585SS**PPolyproline II helixtrans-51.2120.4-174.400000110.3A713 K717A713-A715 PolarHBondContact O-N 3.46Å; A715-K717 PolarHBondContact O-N 3.31Å; A715-K717 VanDerWaalsContact O-N 3.11Å
716K35Very low54.1Low202 Ų20293 Ų9388%0.87861%0.613SS**PPolyproline II helixtrans-56.1119.6158-75.6-177179.2177.60105.7P714 S718P714-K716 PolarHBondContact O-N 2.94Å; P714-K716 VanDerWaalsContact O-N 3.12Å; K716-S718 VanDerWaalsContact C-N 3.34Å; K716-S718 PolarHBondContact O-N 2.9Å
717K30.3Very low52.3Low205 Ų205101.1 Ų101.189%0.89164%0.644SS**  trans-51.692.5179.9-70.1178.4176.6178.20110.5A715 V719A715-K717 PolarHBondContact O-N 3.31Å; A715-K717 VanDerWaalsContact O-N 3.11Å; K717-V719 PolarHBondContact O-N 2.84Å
718S35.1Very low51Low108 Ų108100.6 Ų100.676%0.75565%0.647SS**  trans-83.4110161.856.10000107.2K716 G720K716-S718 VanDerWaalsContact C-N 3.34Å; K716-S718 PolarHBondContact O-N 2.9Å; S718-G720 PolarHBondContact O-N 3.43Å
719V33.9Very low50.3Low151 Ų151106.5 Ų106.592%0.91568%0.678SS**THydrogen-bonded Turntrans-60.9111.9175.8-179.30000108.3K717K717-V719 PolarHBondContact O-N 2.84Å
720G31.8Very low50.2Low81 Ų81108.6 Ų108.684%0.83569%0.691SS**THydrogen-bonded Turntrans155.6-18.8167.100000119.1S718S718-G720 PolarHBondContact O-N 3.43Å
721A33.4Very low50.5Low99 Ų99105.9 Ų105.982%0.81868%0.68SS**  trans-108.4104.8179.100000111.2
722A30.1Very low51Low109 Ų109101.4 Ų101.490%0.90166%0.659SS**  trans-74.9129.717400000111
723G31Very low52.2Low81 Ų8197.8 Ų97.884%0.83564%0.636SS**SBendtrans94.755.7148.500000119.1
724S38.2Very low54.3Low109 Ų10993.9 Ų93.976%0.76260%0.604SS**  trans-160.8124.5148.7174.30000109.2G726S724-G726 PolarHBondContact O-N 3.21Å
725S42.8Very low56.8Low115 Ų11588.2 Ų88.280%0.80457%0.567SS**  trans-61.4104.6171.255.70000108.9R727S725-R727 VanDerWaalsContact C-N 3.3Å; S725-R727 PolarHBondContact O-N 2.59Å
726G52.7Low59.5Low58 Ų5883.9 Ų83.960%0.59853%0.531SS*.  trans-71.856.1-159.900000118T712 S724T712-G726 PolarHBondContact OG1-O 3.14Å; S724-G726 PolarHBondContact O-N 3.21Å
727R59.1Low62.5Low175 Ų17574.6 Ų74.666%0.6649%0.491SS*.PPolyproline II helixtrans-87.8127.1159-79.9179.4177.1-170.51.8109E662 S725E662-R727 IonicContact OE1-NH1 2.95Å; S725-R727 VanDerWaalsContact C-N 3.3Å; S725-R727 PolarHBondContact O-N 2.59Å
728A67Low65.7Low29 Ų2964.9 Ų64.924%0.2445%0.448CS..PPolyproline II helixtrans-59.4150.9171.700000110.9R709R709-A728 HydrophobicContact CB-CB 4.26Å; R709-A728 WeakPolarHBondContact CD-O 3.4Å
729L77.7Confident68.7Low124 Ų12461.8 Ų61.865%0.64942%0.423SS*.PPolyproline II helixtrans-70145175.7-70.7167.3000110.4T731L729-T731 PolarHBondContact O-N 2.8Å; L729-T731 PolarHBondContact O-OG1 2.72Å
730L87.2Confident71.6Confident71 Ų7155 Ų5537%0.37238%0.382SS..PPolyproline II helixtrans-61.6118.9167.9-76.4173.7000108.9E662 V664 R709E662-L730 HydrophobicContact CB-CD2 4.12Å; E662-L730 WeakPolarHBondContact O-CD2 3.36Å; V664-L730 HydrophobicContact CB-CD1 4.5Å; V664-L730 HydrophobicContact CG2-CD1 3.72Å; R709-L730 HydrophobicContact CB-CD2 4.42Å; R709-L730 HydrophobicContact CG-CD2 4.25Å
731T89.8Confident74.3Confident16 Ų1660.5 Ų60.510%0.09838%0.378CS..EExtended strand (participates in β ladder)trans-110.7133.9-176.2-54.80000109.1Y587 F632 Y707 T708 L729 C733Y587-T731 HydrophobicContact CD1-CG2 4.24Å; Y587-T731 HydrophobicContact CE1-CG2 3.85Å; F632-T731 HydrophobicContact CE1-CG2 4.36Å; F632-T731 HydrophobicContact CZ-CG2 3.81Å; Y707-T731 WeakPolarHBondContact CA-O 3.38Å; T708-T731 PolarHBondContact N-O 2.97Å; T708-T731 PolarHBondContact O-N 2.95Å; L729-T731 PolarHBondContact O-N 2.8Å; L729-T731 PolarHBondContact O-OG1 2.72Å; T731-C733 PolarHBondContact O-N 2.81Å
732H92.3Very high75.9Confident19 Ų1962.8 Ų62.89%0.08838%0.384CS..EExtended strand (participates in β ladder)trans-59.8120.1176.1174.2-117000109.9K627 D705 L706 Y707 C734K627-H732 WeakPolarHBondContact CE-O 3.42Å; K627-H732 PolarHBondContact NZ-ND1 2.62Å; K627-H732 PolarHBondContact NZ-O 3.31Å; D705-H732 IonicContact OD1-CD2 2.65Å; D705-H732 PolarHBondContact OD1-CD2 3.41Å; D705-H732 IonicContact OD1-NE2 3.6Å; D705-H732 PolarHBondContact OD1-NE2 2.94Å; L706-H732 PolarHBondContact O-CD2 2.77Å; Y707-H732 VanDerWaalsContact CD1-CA 3.45Å; Y707-H732 HydrophobicContact CD1-CB 3.77Å; Y707-H732 HydrophobicContact CE1-CB 3.65Å; H732-C734 PolarHBondContact NE2-O 3.17Å; H732-C734 VanDerWaalsContact NE2-O 3.1Å
733C92.3Very high78.2Confident0 Ų060.5 Ų60.50%036%0.358CS..EExtended strand (participates in β ladder)trans-110.9-32.2-174.965.90000113.7S628 F632 M634 L706 T708 T731S628-C733 WeakPolarHBondContact CA-O 3.46Å; S628-C733 VanDerWaalsContact CB-O 3.31Å; S628-C733 WeakPolarHBondContact CB-O 3.48Å; S628-C733 PolarHBondContact N-O 2.83Å; F632-C733 HydrophobicContact CB-CB 4.48Å; F632-C733 HydrophobicContact CD1-CB 3.67Å; F632-C733 HydrophobicContact CD2-CB 3.59Å; F632-C733 HydrophobicContact CE1-CB 3.64Å; F632-C733 HydrophobicContact CE2-CB 3.6Å; F632-C733 HydrophobicContact CG-CB 3.64Å; F632-C733 HydrophobicContact CZ-CB 3.62Å; M634-C733 HydrophobicContact SD-CB 4.43Å; L706-C733 PolarHBondContact O-N 2.91Å; L706-C733 PolarHBondContact O-SG 3.09Å; T708-C733 HydrophobicContact CG2-CB 3.87Å; T731-C733 PolarHBondContact O-N 2.81Å
734C95.6Very high80.7Confident1 Ų159.4 Ų59.41%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-152.4149.4-176.8-166.90000111.2L706 H732 Y736L706-C734 HydrophobicContact CB-CB 4.05Å; L706-C734 HydrophobicContact CD2-CB 4.36Å; L706-C734 PolarHBondContact N-O 2.86Å; L706-C734 PolarHBondContact O-N 3.26Å; H732-C734 PolarHBondContact NE2-O 3.17Å; H732-C734 VanDerWaalsContact NE2-O 3.1Å; C734-Y736 WeakPolarHBondContact SG-CE2 3.43Å
735K96.4Very high83.1Confident7 Ų756.7 Ų56.73%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-141.8148.5163.863.5177.3177.3178.10113.1C618 S619 G621 E622 W623 G624 L704C618-K735 HydrophobicContact CB-CD 3.86Å; S619-K735 PolarHBondContact O-NZ 2.65Å; G621-K735 WeakPolarHBondContact O-CE 3.47Å; G621-K735 PolarHBondContact O-NZ 2.77Å; E622-K735 VanDerWaalsContact C-CE 3.44Å; E622-K735 WeakPolarHBondContact O-CE 2.9Å; E622-K735 WeakPolarHBondContact O-CG 3.37Å; W623-K735 HydrophobicContact CD2-CD 3.86Å; W623-K735 HydrophobicContact CD2-CG 4.08Å; W623-K735 HydrophobicContact CE3-CB 4.39Å; W623-K735 HydrophobicContact CE3-CD 3.91Å; W623-K735 HydrophobicContact CE3-CG 3.85Å; W623-K735 HydrophobicContact CG-CD 4.33Å; W623-K735 HydrophobicContact CG-CG 4.4Å; W623-K735 HydrophobicContact CH2-CD 4.46Å; W623-K735 HydrophobicContact CZ2-CD 4.42Å; W623-K735 HydrophobicContact CZ3-CD 4.22Å; W623-K735 HydrophobicContact CZ3-CG 4.39Å; G624-K735 PolarHBondContact N-O 3.4Å; L704-K735 CarbonylContact O-C 3.6Å; L704-K735 WeakPolarHBondContact O-CA 3.47Å; L704-K735 WeakPolarHBondContact O-CB 3.35Å
736Y98Very high85.4Confident2 Ų253.2 Ų53.21%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-126.8145.1176.7-69.9-87.5000111.5W623 P625 H639 D641 I644 I652 F654 G703 L704 C734W623-Y736 WeakPolarHBondContact CZ3-O 3.5Å; P625-Y736 WeakPolarHBondContact CB-OH 3.36Å; P625-Y736 HydrophobicContact CG-CE1 4.4Å; H639-Y736 HydrophobicContact CB-CE1 4.29Å; H639-Y736 PolarHBondContact O-OH 2.64Å; D641-Y736 VanDerWaalsContact O-CD1 3.25Å; D641-Y736 WeakPolarHBondContact O-CD1 3.44Å; D641-Y736 WeakPolarHBondContact O-CE1 3.44Å; I644-Y736 HydrophobicContact CD1-CD1 3.56Å; I644-Y736 HydrophobicContact CD1-CD2 4.47Å; I644-Y736 HydrophobicContact CD1-CE1 3.93Å; I644-Y736 HydrophobicContact CD1-CG 3.85Å; I644-Y736 HydrophobicContact CG1-CD1 3.94Å; I644-Y736 HydrophobicContact CG1-CE1 4.41Å; I652-Y736 HydrophobicContact CD1-CD2 3.93Å; I652-Y736 HydrophobicContact CD1-CE2 4.13Å; I652-Y736 HydrophobicContact CD1-CG 4.43Å; I652-Y736 HydrophobicContact CG2-CE2 4.02Å; F654-Y736 HydrophobicContact CE2-CE2 4.42Å; F654-Y736 AromaticContact CZ-CE2 3.8Å; F654-Y736 HydrophobicContact CZ-CE2 3.8Å; F654-Y736 WeakPolarHBondContact CZ-OH 3.4Å; G703-Y736 WeakPolarHBondContact CA-O 3.4Å; L704-Y736 HydrophobicContact CD2-CD2 4.29Å; L704-Y736 PolarHBondContact N-O 3.36Å; L704-Y736 PolarHBondContact O-N 3.5Å; C734-Y736 WeakPolarHBondContact SG-CE2 3.43Å
737L97.7Very high87.5Confident7 Ų752.9 Ų52.94%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-92.5122.4164.2-171.968.6000107.9L615 P616 W623 A642 I643 I644 Q701L615-L737 HydrophobicContact CD2-CD1 3.94Å; L615-L737 HydrophobicContact CD2-CD2 3.81Å; P616-L737 HydrophobicContact CG-CD1 4.02Å; W623-L737 HydrophobicContact CE3-CB 3.99Å; W623-L737 HydrophobicContact CH2-CD1 4.24Å; W623-L737 HydrophobicContact CZ3-CB 3.92Å; W623-L737 HydrophobicContact CZ3-CD1 4.24Å; A642-L737 PolarHBondContact O-N 3.11Å; I643-L737 CarbonylContact C-O 3.41Å; I643-L737 VanDerWaalsContact CA-O 3.29Å; I643-L737 WeakPolarHBondContact CA-O 3.43Å; I643-L737 HydrophobicContact CG1-CB 4.49Å; I643-L737 HydrophobicContact CG1-CD2 4.42Å; I644-L737 PolarHBondContact N-O 2.74Å; Q701-L737 HydrophobicContact CG-CD1 3.57Å; Q701-L737 HydrophobicContact CG-CG 4.14Å
738I97.9Very high89.4Confident0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-119.9120-174.7-54.2162.1000108.8I644 A646 L650 I694 F696 Q701 Y702 L704I644-I738 HydrophobicContact CB-CG1 4.28Å; I644-I738 HydrophobicContact CB-CG2 4.42Å; I644-I738 HydrophobicContact CD1-CG1 4.48Å; I644-I738 CarbonylContact O-C 3.54Å; I644-I738 WeakPolarHBondContact O-CA 3.42Å; A646-I738 HydrophobicContact CB-CG2 4.06Å; L650-I738 HydrophobicContact CD2-CD1 3.86Å; L650-I738 HydrophobicContact CD2-CG1 4.2Å; L650-I738 HydrophobicContact CD2-CG2 3.94Å; I694-I738 HydrophobicContact CD1-CD1 3.88Å; F696-I738 HydrophobicContact CE1-CG2 4.11Å; F696-I738 HydrophobicContact CE2-CG2 4.42Å; F696-I738 HydrophobicContact CZ-CD1 4.39Å; F696-I738 HydrophobicContact CZ-CG2 3.64Å; Q701-I738 WeakPolarHBondContact CA-O 3.36Å; Y702-I738 PolarHBondContact N-O 2.89Å; Y702-I738 PolarHBondContact O-N 3.14Å; L704-I738 HydrophobicContact CB-CD1 3.86Å
739N97.1Very high91Very high44 Ų4445.9 Ų45.924%0.23523%0.233CC..EExtended strand (participates in β ladder)trans-98.7116.5169.7-54.7-53.3000107.7I644 N645 A646 Q701I644-N739 PolarHBondContact O-N 2.88Å; N645-N739 CarbonylContact C-O 3.51Å; N645-N739 WeakPolarHBondContact CA-O 3.3Å; N645-N739 PolarHBondContact OD1-ND2 2.83Å; A646-N739 PolarHBondContact N-O 3.22Å; Q701-N739 PolarHBondContact NE2-OD1 2.83Å; Q701-N739 VanDerWaalsContact NE2-OD1 3.09Å
740T95.5Very high92Very high7 Ų739.9 Ų39.94%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-104.2133175.4173.20000110.3A646 G647 F696 G700 Y702A646-T740 VanDerWaalsContact O-CA 3.3Å; A646-T740 WeakPolarHBondContact O-CA 3.4Å; G647-T740 PolarHBondContact O-OG1 3.33Å; F696-T740 HydrophobicContact CB-CG2 4.04Å; F696-T740 HydrophobicContact CD1-CG2 3.95Å; F696-T740 HydrophobicContact CD2-CG2 4.22Å; F696-T740 HydrophobicContact CG-CG2 3.79Å; G700-T740 PolarHBondContact N-O 2.9Å; G700-T740 VanDerWaalsContact N-O 3.14Å; G700-T740 WeakPolarHBondContact O-CG2 3.3Å; G700-T740 PolarHBondContact O-N 2.83Å; Y702-T740 HydrophobicContact CD2-CG2 3.65Å; Y702-T740 HydrophobicContact CE2-CG2 3.35Å
741R88.3Confident92.4Very high198 Ų19837.3 Ų37.375%0.74719%0.187SC*.  trans-126.3145.6170.5-68.3-175.3-179.2-179.10.2108.1A646 G647A646-R741 PolarHBondContact O-N 2.9Å; A646-R741 VanDerWaalsContact O-N 3.11Å; G647-R741 WeakPolarHBondContact CA-O 3.28Å
742P68.1Low92.6Very high147 Ų14739.3 Ų39.396%0.95520%0.195SC*.  trans-600-179.623.6-32.2000113.4

Retrieved 742 of 742 residues in 1549.2 ms (Link to these results)

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