A0A060WHQ3_ONCMY Loading...

Si:rp71-19m20.1

AlphaFold DB , UniProt , Accession A0A060WHQ3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene c16h10orf88, Length 400 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
1M29.4Very low33.2Very low250 Ų250124.8 Ų124.8100%1.23272%0.716SS**  01130-73.1161.2165.300106.9
2A25.3Very low35.9Very low97 Ų97115.8 Ų115.880%0.80267%0.671SS**  trans-87.9139.1169.800000108.2
3S24.4Very low39Very low99 Ų99109.5 Ų109.569%0.69264%0.636SS**  trans-73.6126.3171.3-168.50000108.5D5S3-D5 PolarHBondContact OG-OD1 3.36Å
4I29.9Very low42.2Very low102 Ų102102.1 Ų102.152%0.52359%0.593SS.*  trans-89.6103.2164.8-59.2177.5000105.5V6I4-V6 VanDerWaalsContact C-N 3.3Å; I4-V6 HydrophobicContact CG2-CG2 4.19Å; I4-V6 PolarHBondContact O-N 2.76Å
5D27.6Very low45.3Very low131 Ų131101.2 Ų101.270%0.70159%0.585SS**  trans-72.886.2179.4-82.3-6.4000110.7S3 S7S3-D5 PolarHBondContact OG-OD1 3.36Å; D5-S7 PolarHBondContact O-N 3.49Å; D5-S7 PolarHBondContact O-OG 2.88Å
6V34.3Very low48Very low82 Ų8296.9 Ų96.950%0.49757%0.57SS.*  trans-6981.9170.9-178.20000108.6I4 T8I4-V6 VanDerWaalsContact C-N 3.3Å; I4-V6 HydrophobicContact CG2-CG2 4.19Å; I4-V6 PolarHBondContact O-N 2.76Å; V6-T8 VanDerWaalsContact C-N 3.33Å; V6-T8 HydrophobicContact CG1-CG2 4.17Å; V6-T8 PolarHBondContact O-N 2.97Å
7S29.7Very low50.5Low84 Ų8498.6 Ų98.659%0.58757%0.571SS**  trans-81.273.9-173.434.40000111.5D5 S9D5-S7 PolarHBondContact O-N 3.49Å; D5-S7 PolarHBondContact O-OG 2.88Å; S7-S9 PolarHBondContact O-N 3.27Å
8T32.7Very low52.8Low121 Ų12194.4 Ų94.474%0.74255%0.546SS*.  trans-72.864.9173.449.20000112.2V6V6-T8 VanDerWaalsContact C-N 3.33Å; V6-T8 HydrophobicContact CG1-CG2 4.17Å; V6-T8 PolarHBondContact O-N 2.97Å
9S34.4Very low54.9Low75 Ų7592.1 Ų92.152%0.52454%0.536SS..  trans-70.8146.6159.9176.30000109.6S7 D11S7-S9 PolarHBondContact O-N 3.27Å; S9-D11 VanDerWaalsContact C-N 3.25Å; S9-D11 VanDerWaalsContact CB-O 3.23Å; S9-D11 WeakPolarHBondContact CB-O 3.21Å; S9-D11 PolarHBondContact OG-N 3.34Å; S9-D11 PolarHBondContact OG-O 3.31Å
10K45.1Very low56.8Low200 Ų20087.8 Ų87.887%0.8751%0.51SS*.SBendtrans-73.5-22.2174.5-158.1170.4-174.8176.40112.4
11D52.9Low58.3Low132 Ų13285.6 Ų85.671%0.70650%0.503SS*.SBendtrans-99.591.5159.7-63.8-68.4000107.6S9S9-D11 VanDerWaalsContact C-N 3.25Å; S9-D11 VanDerWaalsContact CB-O 3.23Å; S9-D11 WeakPolarHBondContact CB-O 3.21Å; S9-D11 PolarHBondContact OG-N 3.34Å; S9-D11 PolarHBondContact OG-O 3.31Å
12G64.9Low61.1Low17 Ų1776.1 Ų76.118%0.17546%0.461CS..  trans-81.4161.517900000112.6V14G12-V14 PolarHBondContact O-N 2.88Å; G12-V14 VanDerWaalsContact O-N 3.14Å
13P77.1Confident63.7Low33 Ų3377.4 Ų77.421%0.21445%0.448CS..SBendtrans-67.5-10.1176.928.9-36.6000113.8P35 C75 A76 C79 L162P13-P35 HydrophobicContact CG-CB 3.74Å; P13-P35 HydrophobicContact CG-CG 3.59Å; P13-C75 WeakPolarHBondContact O-CA 3.3Å; P13-A76 PolarHBondContact O-N 3.48Å; P13-C79 HydrophobicContact CB-CB 4.47Å; P13-L162 HydrophobicContact CB-CD1 4.35Å; P13-L162 HydrophobicContact CG-CD1 4.19Å
14V83.6Confident65.9Low6 Ų674.2 Ų74.24%0.03643%0.426CS..EExtended strand (participates in β ladder)trans-133.6128173.2-175.30000109.6G12 P35 L73 C74 M160 L162G12-V14 PolarHBondContact O-N 2.88Å; G12-V14 VanDerWaalsContact O-N 3.14Å; V14-P35 HydrophobicContact CG2-CB 4.22Å; V14-L73 HydrophobicContact CG1-CB 4.48Å; V14-C74 WeakPolarHBondContact CA-O 3.42Å; V14-M160 HydrophobicContact CB-CE 3.89Å; V14-M160 HydrophobicContact CB-SD 4.14Å; V14-M160 HydrophobicContact CG1-CE 3.93Å; V14-M160 HydrophobicContact CG1-SD 3.58Å; V14-M160 VanDerWaalsContact CG1-SD 3.58Å; V14-M160 HydrophobicContact CG2-CE 4.33Å; V14-M160 HydrophobicContact CG2-SD 4.4Å; V14-L162 HydrophobicContact CG2-CD1 3.84Å; V14-L162 HydrophobicContact CG2-CD2 3.83Å; V14-L162 HydrophobicContact CG2-CG 4.39Å
15N88.4Confident67.3Low89 Ų8979 Ų7948%0.47645%0.446SS..EExtended strand (participates in β ladder)trans-94.4156169-69.3-38000110C74N15-C74 PolarHBondContact N-O 3.26Å; N15-C74 PolarHBondContact O-N 2.95Å
16G88.6Confident69.2Low33 Ų3381.7 Ų81.734%0.3445%0.454SS..EExtended strand (participates in β ladder)trans-136.9155.6172.800000112.6L29 T72G16-L29 VanDerWaalsContact C-CD2 3.42Å; G16-T72 CarbonylContact C-O 3.55Å; G16-T72 VanDerWaalsContact CA-O 3.23Å; G16-T72 WeakPolarHBondContact CA-O 3.46Å
17H90.2Very high71Confident126 Ų12681.7 Ų81.758%0.58345%0.445SS*.EExtended strand (participates in β ladder)trans-135.9149.9177176.8-96000110I71 T72H17-I71 CarbonylContact O-C 3.55Å; H17-I71 WeakPolarHBondContact O-CA 3.11Å; H17-T72 PolarHBondContact N-O 3.34Å; H17-T72 PolarHBondContact O-N 3.01Å
18T92.5Very high73.5Confident22 Ų2284.1 Ų84.114%0.13545%0.447CS..EExtended strand (participates in β ladder)trans-122.9131.517751.40000111.4W20 L29 L60 I71T18-W20 VanDerWaalsContact CB-O 3.22Å; T18-W20 WeakPolarHBondContact CB-O 3.5Å; T18-W20 PolarHBondContact O-N 3.44Å; T18-W20 PolarHBondContact OG1-O 2.86Å; T18-L29 HydrophobicContact CG2-CD1 3.91Å; T18-L29 HydrophobicContact CG2-CD2 3.84Å; T18-L29 HydrophobicContact CG2-CG 4.4Å; T18-L60 HydrophobicContact CG2-CD1 3.82Å; T18-L60 HydrophobicContact CG2-CD2 3.7Å; T18-L60 HydrophobicContact CG2-CG 4.44Å; T18-I71 HydrophobicContact CG2-CB 4.48Å; T18-I71 HydrophobicContact CG2-CG1 4.06Å; T18-I71 HydrophobicContact CG2-CG2 4.23Å
19S92Very high76.1Confident50 Ų5079.1 Ų79.135%0.3542%0.416SS..SBendtrans-65.5-20.4169.4530000113.6P68 V70S19-P68 PolarHBondContact OG-O 3Å; S19-V70 PolarHBondContact N-O 2.92Å; S19-V70 WeakPolarHBondContact OG-CA 3.26Å; S19-V70 PolarHBondContact OG-N 3.44Å; S19-V70 PolarHBondContact OG-O 3.44Å
20W92.8Very high78.5Confident6 Ų678.3 Ų78.32%0.02341%0.41CS..SBendtrans-102.2146.6172.9-77.921.7000109.9T18 L60 E61 Q62 S67 P68 C69 L147 V153T18-W20 VanDerWaalsContact CB-O 3.22Å; T18-W20 WeakPolarHBondContact CB-O 3.5Å; T18-W20 PolarHBondContact O-N 3.44Å; T18-W20 PolarHBondContact OG1-O 2.86Å; W20-L60 HydrophobicContact CB-CB 4.02Å; W20-L60 HydrophobicContact CE3-CB 4.37Å; W20-E61 CarbonylContact C-O 3.5Å; W20-E61 WeakPolarHBondContact CA-O 3.31Å; W20-E61 VanDerWaalsContact CB-O 3.29Å; W20-E61 WeakPolarHBondContact CB-O 3.43Å; W20-Q62 HydrophobicContact CD2-CB 3.95Å; W20-Q62 HydrophobicContact CE3-CB 4.27Å; W20-Q62 HydrophobicContact CH2-CB 4.03Å; W20-Q62 HydrophobicContact CZ2-CB 3.68Å; W20-Q62 HydrophobicContact CZ2-CG 3.93Å; W20-Q62 HydrophobicContact CZ3-CB 4.31Å; W20-S67 WeakPolarHBondContact CZ2-O 3.37Å; W20-S67 PolarHBondContact NE1-O 3.02Å; W20-S67 PolarHBondContact NE1-OG 3.18Å; W20-P68 PolarHBondContact NE1-O 2.93Å; W20-C69 HydrophobicContact CD2-CB 3.6Å; W20-C69 HydrophobicContact CE3-CB 3.84Å; W20-C69 HydrophobicContact CG-CB 4.11Å; W20-C69 HydrophobicContact CH2-CB 4.09Å; W20-C69 HydrophobicContact CZ2-CB 3.84Å; W20-C69 HydrophobicContact CZ3-CB 4.08Å; W20-L147 HydrophobicContact CH2-CD1 3.42Å; W20-L147 VanDerWaalsContact CH2-CD1 3.42Å; W20-L147 HydrophobicContact CZ2-CD1 4.08Å; W20-L147 HydrophobicContact CZ3-CD1 3.95Å; W20-V153 HydrophobicContact CE3-CG1 3.98Å; W20-V153 HydrophobicContact CZ3-CB 4.4Å; W20-V153 HydrophobicContact CZ3-CG1 3.9Å
21A89.3Confident80.4Confident43 Ų4371.8 Ų71.836%0.35539%0.385SS..EExtended strand (participates in β ladder)trans-75.3131.8-175.600000111.4K23 L60 E61 V63A21-K23 PolarHBondContact O-N 3.24Å; A21-L60 WeakPolarHBondContact O-CA 3.42Å; A21-E61 PolarHBondContact N-O 3.35Å; A21-E61 PolarHBondContact O-N 3.5Å; A21-V63 HydrophobicContact CB-CG2 3.62Å
22C87.3Confident82.1Confident51 Ų5165.5 Ų65.535%0.34535%0.352SS..EExtended strand (participates in β ladder)trans-69.7124.5167-176.60000109.8R27 V58 L59C22-R27 PolarHBondContact SG-O 3.43Å; C22-V58 HydrophobicContact CB-CG1 4.49Å; C22-L59 WeakPolarHBondContact CA-O 3.3Å
23K79.8Confident83.3Confident124 Ų12465.4 Ų65.454%0.53935%0.347SS..  trans-105.3-1.9174.4-78.2-150.1-175162.60115A21 Q25 L59 E61A21-K23 PolarHBondContact O-N 3.24Å; K23-Q25 PolarHBondContact O-N 2.93Å; K23-Q25 VanDerWaalsContact O-N 3.12Å; K23-L59 HydrophobicContact CB-CD2 4.47Å; K23-L59 PolarHBondContact N-O 2.69Å; K23-E61 VanDerWaalsContact CD-CD 3.47Å; K23-E61 HydrophobicContact CD-CG 4.06Å; K23-E61 WeakPolarHBondContact CD-OE2 3.28Å; K23-E61 WeakPolarHBondContact CE-OE2 3.47Å; K23-E61 HydrophobicContact CG-CB 4.44Å; K23-E61 HydrophobicContact CG-CG 4.1Å; K23-E61 IonicContact NZ-OE1 2.63Å; K23-E61 IonicContact NZ-OE2 3.74Å; K23-E61 PolarHBondContact NZ-OE2 3.22Å
24S71.1Confident83.8Confident31 Ų3165.5 Ų65.522%0.21735%0.345CS..  trans-69.4107.1177.2-600000110.5E26 R27 L59S24-E26 PolarHBondContact O-N 3.34Å; S24-R27 PolarHBondContact O-N 3.47Å; S24-R27 VanDerWaalsContact O-O 3.11Å; S24-L59 PolarHBondContact OG-N 3.27Å; S24-L59 VanDerWaalsContact OG-N 3.13Å
25Q59.9Low84Confident202 Ų20267.1 Ų67.194%0.94436%0.356SS*.THydrogen-bonded Turntrans-57.9-24.6-170.5-70.8179-3800115.1K23K23-Q25 PolarHBondContact O-N 2.93Å; K23-Q25 VanDerWaalsContact O-N 3.12Å
26E65.8Low84Confident189 Ų18963.7 Ų63.788%0.88334%0.338SS*.THydrogen-bonded Turntrans-119.42.6-176.6-58.4-174.9160.100113.8S24S24-E26 PolarHBondContact O-N 3.34Å
27R72.8Confident83.7Confident82 Ų8268.9 Ų68.931%0.30935%0.354SS..  trans-130.6137-173.7-72.2-73.5-171.1137.11.3112C22 S24 D31 V58C22-R27 PolarHBondContact SG-O 3.43Å; S24-R27 PolarHBondContact O-N 3.47Å; S24-R27 VanDerWaalsContact O-O 3.11Å; R27-D31 VanDerWaalsContact CA-OD2 3.3Å; R27-D31 WeakPolarHBondContact CA-OD2 3.38Å; R27-D31 VanDerWaalsContact CD-OD2 3.24Å; R27-D31 WeakPolarHBondContact CD-OD2 3.47Å; R27-V58 HydrophobicContact CB-CG2 4.36Å
28Q83.2Confident82.6Confident134 Ų13464.8 Ų64.863%0.62634%0.339SS*.  trans-109165173.5-64.1-1742.700110.4S30 D31Q28-S30 WeakPolarHBondContact CB-OG 3.46Å; Q28-S30 PolarHBondContact O-N 3.05Å; Q28-D31 PolarHBondContact N-OD2 3.39Å; Q28-D31 WeakPolarHBondContact O-CB 3.32Å; Q28-D31 PolarHBondContact O-N 3.01Å
29L85.9Confident81Confident16 Ų1667.5 Ų67.58%0.08436%0.359CS..G310 helixtrans-56.2-36.9178.9-178.471.5000111.9G16 T18 D31 I32 L33 I71G16-L29 VanDerWaalsContact C-CD2 3.42Å; T18-L29 HydrophobicContact CG2-CD1 3.91Å; T18-L29 HydrophobicContact CG2-CD2 3.84Å; T18-L29 HydrophobicContact CG2-CG 4.4Å; L29-D31 PolarHBondContact O-N 2.92Å; L29-I32 HydrophobicContact CD1-CD1 4.08Å; L29-I32 HydrophobicContact CD1-CG1 4.21Å; L29-I32 WeakPolarHBondContact O-CG1 3.34Å; L29-I32 PolarHBondContact O-N 2.84Å; L29-I32 VanDerWaalsContact O-N 3.12Å; L29-L33 HydrophobicContact CG-CD2 4.23Å; L29-L33 HydrophobicContact CG-CG 4.35Å; L29-L33 WeakPolarHBondContact O-CG 3.19Å; L29-L33 PolarHBondContact O-N 2.83Å; L29-I71 HydrophobicContact CD1-CG2 4.35Å; L29-I71 HydrophobicContact CD2-CG2 4.02Å
30S85.6Confident79.1Confident58 Ų5873.3 Ų73.341%0.40638%0.384SS..G310 helixtrans-45.1-36.9173.747.10000113.5Q28 I32 L33Q28-S30 WeakPolarHBondContact CB-OG 3.46Å; Q28-S30 PolarHBondContact O-N 3.05Å; S30-I32 PolarHBondContact O-N 3.34Å; S30-L33 PolarHBondContact O-N 3.06Å; S30-L33 VanDerWaalsContact O-N 3.15Å
31D84.6Confident76.9Confident63 Ų6380.5 Ų80.534%0.33742%0.423SS..G310 helixtrans-77.4-7.6-169-45.5-20000112.5R27 Q28 L29 C55R27-D31 VanDerWaalsContact CA-OD2 3.3Å; R27-D31 WeakPolarHBondContact CA-OD2 3.38Å; R27-D31 VanDerWaalsContact CD-OD2 3.24Å; R27-D31 WeakPolarHBondContact CD-OD2 3.47Å; Q28-D31 PolarHBondContact N-OD2 3.39Å; Q28-D31 WeakPolarHBondContact O-CB 3.32Å; Q28-D31 PolarHBondContact O-N 3.01Å; L29-D31 PolarHBondContact O-N 2.92Å; D31-C55 PolarHBondContact O-SG 3.28Å; D31-C55 VanDerWaalsContact O-SG 3.39Å
32I88.1Confident75.2Confident1 Ų180.4 Ų80.41%0.00542%0.419CS..G310 helixtrans-116.8-1.7172.564.4160.7000113.1L29 S30 V58 V155 A156 V158L29-I32 HydrophobicContact CD1-CD1 4.08Å; L29-I32 HydrophobicContact CD1-CG1 4.21Å; L29-I32 WeakPolarHBondContact O-CG1 3.34Å; L29-I32 PolarHBondContact O-N 2.84Å; L29-I32 VanDerWaalsContact O-N 3.12Å; S30-I32 PolarHBondContact O-N 3.34Å; I32-V58 HydrophobicContact CD1-CB 4.07Å; I32-V58 HydrophobicContact CD1-CG2 4.11Å; I32-V58 HydrophobicContact CG1-CG2 4.1Å; I32-V58 HydrophobicContact CG2-CG2 3.83Å; I32-V155 HydrophobicContact CD1-CB 3.68Å; I32-V155 HydrophobicContact CD1-CG1 3.52Å; I32-V155 WeakPolarHBondContact CD1-O 3.3Å; I32-A156 WeakPolarHBondContact CG2-O 3.25Å; I32-V158 HydrophobicContact CD1-CG2 4.43Å; I32-V158 PolarHBondContact O-N 2.81Å
33L90.2Very high74Confident15 Ų1580.7 Ų80.78%0.07942%0.417CS..EExtended strand (participates in β ladder)trans-82121.3173.5-63.2-170.4000109.7L29 S30 L73 V158 M160L29-L33 HydrophobicContact CG-CD2 4.23Å; L29-L33 HydrophobicContact CG-CG 4.35Å; L29-L33 WeakPolarHBondContact O-CG 3.19Å; L29-L33 PolarHBondContact O-N 2.83Å; S30-L33 PolarHBondContact O-N 3.06Å; S30-L33 VanDerWaalsContact O-N 3.15Å; L33-L73 HydrophobicContact CD2-CD2 3.86Å; L33-V158 HydrophobicContact CD2-CB 3.91Å; L33-V158 HydrophobicContact CD2-CG1 4.17Å; L33-V158 HydrophobicContact CD2-CG2 4.45Å; L33-M160 HydrophobicContact CB-CE 3.81Å; L33-M160 HydrophobicContact CD2-CE 4.28Å; L33-M160 HydrophobicContact CG-CE 4.42Å
34L89.1Confident73.4Confident34 Ų3475 Ų7518%0.17839%0.392CS..EExtended strand (participates in β ladder)trans-125.287.5-178.7-68.7174000110.3R157 V158 V159 M160L34-R157 HydrophobicContact CD1-CG 3.71Å; L34-V158 PolarHBondContact N-O 3.25Å; L34-V159 HydrophobicContact CB-CG1 4.31Å; L34-V159 HydrophobicContact CB-CG2 4.28Å; L34-V159 VanDerWaalsContact O-CA 3.31Å; L34-V159 WeakPolarHBondContact O-CA 2.99Å; L34-V159 WeakPolarHBondContact O-CG1 3.34Å; L34-M160 PolarHBondContact O-N 3.44Å
35P87.5Confident72.9Confident40 Ų4074.9 Ų74.926%0.2639%0.391SS..EExtended strand (participates in β ladder)trans-67.5132.8170.927.4-31.6000110.4P13 V14 M160 L162P13-P35 HydrophobicContact CG-CB 3.74Å; P13-P35 HydrophobicContact CG-CG 3.59Å; V14-P35 HydrophobicContact CG2-CB 4.22Å; P35-M160 HydrophobicContact CB-CE 4.41Å; P35-L162 HydrophobicContact CB-CD1 3.57Å; P35-L162 HydrophobicContact CB-CG 4.28Å
36V87.2Confident72.7Confident18 Ų1871 Ų7111%0.10937%0.373CS..EExtended strand (participates in β ladder)trans-126.1127.1-179.2167.80000108.5S38 I44 I47 V159 M160 L162V36-S38 PolarHBondContact O-N 3.09Å; V36-I44 HydrophobicContact CG1-CG1 4.42Å; V36-I47 HydrophobicContact CB-CD1 4.43Å; V36-I47 HydrophobicContact CG1-CD1 3.41Å; V36-I47 VanDerWaalsContact CG1-CD1 3.41Å; V36-I47 HydrophobicContact CG2-CD1 4.25Å; V36-I47 HydrophobicContact CG2-CG2 4.41Å; V36-V159 HydrophobicContact CB-CG1 4.43Å; V36-V159 HydrophobicContact CG2-CG1 3.54Å; V36-M160 PolarHBondContact N-O 3.32Å; V36-L162 PolarHBondContact O-N 3.17Å
37Q82.8Confident72.4Confident142 Ų14262.8 Ų62.866%0.66434%0.335SS*.EExtended strand (participates in β ladder)trans-76.7113.9174.6-155.3172.225.800110.3S39 T164Q37-S39 PolarHBondContact O-N 2.85Å; Q37-T164 PolarHBondContact NE2-OG1 2.97Å
38S67.7Low71.6Confident40 Ų4059.5 Ų59.528%0.2832%0.324SS..  trans-83.292.5-173.6-178.20000111.1V36 L162V36-S38 PolarHBondContact O-N 3.09Å; S38-L162 PolarHBondContact N-O 2.92Å
39S58.5Low70.2Confident79 Ų7960.4 Ų60.455%0.55232%0.321SS*.  trans-66.4159.7161.489.30000110.5Q37 N41 T42Q37-S39 PolarHBondContact O-N 2.85Å; S39-N41 PolarHBondContact O-N 2.86Å; S39-T42 VanDerWaalsContact C-OG1 3.27Å; S39-T42 VanDerWaalsContact CA-OG1 3.31Å; S39-T42 WeakPolarHBondContact CA-OG1 3.41Å; S39-T42 WeakPolarHBondContact CB-OG1 3.39Å; S39-T42 PolarHBondContact N-OG1 2.78Å; S39-T42 PolarHBondContact O-N 2.97Å; S39-T42 PolarHBondContact O-OG1 3.4Å; S39-T42 PolarHBondContact OG-OG1 3.19Å
40I51.3Low68.4Low171 Ų17166 Ų6688%0.87735%0.351SS*.THydrogen-bonded Turntrans-56.8-21.7-165.9-66.2168.7000114.7
41N46.7Very low66.8Low157 Ų15764.4 Ų64.484%0.8434%0.339SS*.THydrogen-bonded Turntrans-117.122.2178.5-71.1-60.1000114.1S39 D43S39-N41 PolarHBondContact O-N 2.86Å; N41-D43 PolarHBondContact O-N 3.21Å
42T54.2Low65.2Low42 Ų4266.6 Ų66.626%0.25836%0.357SS..  trans-92.494.5-173.1-24.80000112.1S39 I44 I47S39-T42 VanDerWaalsContact C-OG1 3.27Å; S39-T42 VanDerWaalsContact CA-OG1 3.31Å; S39-T42 WeakPolarHBondContact CA-OG1 3.41Å; S39-T42 WeakPolarHBondContact CB-OG1 3.39Å; S39-T42 PolarHBondContact N-OG1 2.78Å; S39-T42 PolarHBondContact O-N 2.97Å; S39-T42 PolarHBondContact O-OG1 3.4Å; S39-T42 PolarHBondContact OG-OG1 3.19Å; T42-I44 PolarHBondContact O-N 3.4Å; T42-I47 HydrophobicContact CG2-CD1 3.83Å
43D61.4Low63.5Low57 Ų5771.2 Ų71.231%0.30538%0.382SS..  trans-74.5108172.4176.218.3000111.4N41 S45 Q46N41-D43 PolarHBondContact O-N 3.21Å; D43-S45 VanDerWaalsContact CG-OG 3.27Å; D43-S45 PolarHBondContact O-N 3Å; D43-S45 WeakPolarHBondContact OD1-CA 3.22Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 2.89Å; D43-S45 PolarHBondContact OD1-OG 3.19Å; D43-S45 VanDerWaalsContact OD1-OG 3.12Å; D43-S45 PolarHBondContact OD2-OG 3.36Å; D43-Q46 HydrophobicContact CB-CG 4.31Å; D43-Q46 WeakPolarHBondContact O-CB 3.33Å; D43-Q46 PolarHBondContact O-N 3.18Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.45Å; D43-Q46 PolarHBondContact OD2-NE2 3.07Å
44I68.2Low61.8Low4 Ų473.5 Ų73.52%0.02141%0.409CS..Hα-helixtrans-62.2-22.3178.4-67.3149.6000112V36 T42 Q46 I47 D48 S85 L87 V159 G161V36-I44 HydrophobicContact CG1-CG1 4.42Å; T42-I44 PolarHBondContact O-N 3.4Å; I44-Q46 PolarHBondContact O-N 2.83Å; I44-I47 HydrophobicContact CG1-CD1 4.15Å; I44-I47 PolarHBondContact O-N 2.87Å; I44-D48 PolarHBondContact O-N 3.11Å; I44-S85 WeakPolarHBondContact CD1-OG 3.32Å; I44-L87 HydrophobicContact CG2-CB 3.89Å; I44-L87 HydrophobicContact CG2-CD1 4.3Å; I44-V159 HydrophobicContact CG2-CB 4.08Å; I44-V159 HydrophobicContact CG2-CG1 3.72Å; I44-G161 VanDerWaalsContact CD1-CA 3.4Å
45S60.1Low60.5Low29 Ų2973.6 Ų73.620%0.20341%0.412CS..Hα-helixtrans-64.1-19.5173.5103.20000113.4D43 R128D43-S45 VanDerWaalsContact CG-OG 3.27Å; D43-S45 PolarHBondContact O-N 3Å; D43-S45 WeakPolarHBondContact OD1-CA 3.22Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 2.89Å; D43-S45 PolarHBondContact OD1-OG 3.19Å; D43-S45 VanDerWaalsContact OD1-OG 3.12Å; D43-S45 PolarHBondContact OD2-OG 3.36Å; S45-R128 PolarHBondContact O-NH1 3.41Å; S45-R128 PolarHBondContact O-NH2 2.95Å; S45-R128 VanDerWaalsContact O-NH2 3.12Å
46Q56.6Low60Low121 Ų12175.7 Ų75.757%0.56542%0.424SS*.Hα-helixtrans-92-38.8177-64.8170.844.900112D43 I44 D48 R49 D50D43-Q46 HydrophobicContact CB-CG 4.31Å; D43-Q46 WeakPolarHBondContact O-CB 3.33Å; D43-Q46 PolarHBondContact O-N 3.18Å; D43-Q46 WeakPolarHBondContact OD2-CG 3.45Å; D43-Q46 PolarHBondContact OD2-NE2 3.07Å; I44-Q46 PolarHBondContact O-N 2.83Å; Q46-D48 VanDerWaalsContact C-N 3.26Å; Q46-D48 PolarHBondContact O-N 2.86Å; Q46-R49 WeakPolarHBondContact O-CA 3.39Å; Q46-R49 WeakPolarHBondContact O-CB 3.31Å; Q46-R49 PolarHBondContact O-N 2.92Å; Q46-D50 PolarHBondContact O-N 3.18Å
47I58.5Low60Low16 Ų1675.9 Ų75.98%0.08243%0.425CS..Hα-helixtrans-60.6-35.1-179.7-52174.5000112.1V36 T42 I44 R49 D50 T51V36-I47 HydrophobicContact CB-CD1 4.43Å; V36-I47 HydrophobicContact CG1-CD1 3.41Å; V36-I47 VanDerWaalsContact CG1-CD1 3.41Å; V36-I47 HydrophobicContact CG2-CD1 4.25Å; V36-I47 HydrophobicContact CG2-CG2 4.41Å; T42-I47 HydrophobicContact CG2-CD1 3.83Å; I44-I47 HydrophobicContact CG1-CD1 4.15Å; I44-I47 PolarHBondContact O-N 2.87Å; I47-R49 PolarHBondContact O-N 3.31Å; I47-D50 PolarHBondContact O-N 2.86Å; I47-T51 PolarHBondContact O-N 2.67Å; I47-T51 PolarHBondContact O-OG1 2.95Å
48D55.5Low60.3Low13 Ų1369.1 Ų69.17%0.0739%0.394CS..Hα-helixtrans-66.5-16.1173.8173.474.5000113.5I44 Q46 L87 R128 R157I44-D48 PolarHBondContact O-N 3.11Å; Q46-D48 VanDerWaalsContact C-N 3.26Å; Q46-D48 PolarHBondContact O-N 2.86Å; D48-L87 HydrophobicContact CB-CD1 3.97Å; D48-L87 HydrophobicContact CB-CD2 3.87Å; D48-R128 WeakPolarHBondContact OD2-CD 3.46Å; D48-R128 IonicContact OD2-CZ 3.64Å; D48-R128 IonicContact OD2-NE 3.75Å; D48-R128 IonicContact OD2-NH1 2.74Å; D48-R128 PolarHBondContact OD2-NH1 3.41Å; D48-R157 WeakPolarHBondContact OD1-CD 3.48Å; D48-R157 IonicContact OD1-CZ 2.69Å; D48-R157 IonicContact OD1-NE 3.62Å; D48-R157 PolarHBondContact OD1-NE 3.37Å
49R54.3Low61.4Low152 Ų15269.3 Ų69.357%0.57439%0.391SS*.Hα-helixtrans-87.3-30.4172.7-48.2-144.780.3-150.62.4113.2Q46 I47Q46-R49 WeakPolarHBondContact O-CA 3.39Å; Q46-R49 WeakPolarHBondContact O-CB 3.31Å; Q46-R49 PolarHBondContact O-N 2.92Å; I47-R49 PolarHBondContact O-N 3.31Å
50D47.5Very low63Low133 Ų13365.5 Ų65.571%0.71137%0.365SS*.Hα-helixtrans-88.2-21.4-178.5-69.4-19.4000112.9Q46 I47Q46-D50 PolarHBondContact O-N 3.18Å; I47-D50 PolarHBondContact O-N 2.86Å
51T53.4Low64.9Low26 Ų2659.9 Ų59.916%0.1634%0.335CS..SBendtrans-79.112417241.60000110.8I47 R157I47-T51 PolarHBondContact O-N 2.67Å; I47-T51 PolarHBondContact O-OG1 2.95Å; T51-R157 PolarHBondContact O-NH2 2.97Å
52P50.4Low67.1Low108 Ų10855.4 Ų55.470%0.70131%0.309SS*.  trans-59.9146.4-169.521.4-32.8000113.3G54 R157P52-G54 PolarHBondContact O-N 2.95Å; P52-R157 PolarHBondContact O-NH2 3.32Å
53N53.2Low68.7Low99 Ų9958.6 Ų58.653%0.52933%0.328SS..SBendtrans-69.121.7-177.2-62.5-27000114.4
54G53.9Low69.9Low63 Ų6362.7 Ų62.765%0.64935%0.346SS*.  trans-93.111.4-170.900000115.9P52 V56P52-G54 PolarHBondContact O-N 2.95Å; G54-V56 PolarHBondContact O-N 3.15Å
55C61.5Low70.8Confident35 Ų3571.7 Ų71.724%0.23639%0.387CS..  trans-87.6105.6179-138.30000111D31D31-C55 PolarHBondContact O-SG 3.28Å; D31-C55 VanDerWaalsContact O-SG 3.39Å
56V77.1Confident71.9Confident84 Ų8473.4 Ų73.451%0.50941%0.409SS..PPolyproline II helixtrans-59.4128.5172.6179.90000109G54G54-V56 PolarHBondContact O-N 3.15Å
57P86.4Confident73.5Confident23 Ų2368.8 Ų68.815%0.14939%0.391CS..PPolyproline II helixtrans-68.1145.7-17326.4-34.9000113.4F126 A154 V155 A156P57-F126 HydrophobicContact CB-CE1 4.14Å; P57-F126 HydrophobicContact CB-CZ 3.82Å; P57-F126 HydrophobicContact CG-CZ 3.97Å; P57-A154 HydrophobicContact CB-CB 4.05Å; P57-V155 CarbonylContact C-O 3.59Å; P57-V155 WeakPolarHBondContact CA-O 3.31Å; P57-A156 HydrophobicContact CB-CB 4.29Å
58V89.8Confident75.1Confident0 Ų071.4 Ų71.40%041%0.409CS..EExtended strand (participates in β ladder)trans-80.2127.8169.8172.10000109.1C22 R27 I32 L60 A154 V155C22-V58 HydrophobicContact CB-CG1 4.49Å; R27-V58 HydrophobicContact CB-CG2 4.36Å; I32-V58 HydrophobicContact CD1-CB 4.07Å; I32-V58 HydrophobicContact CD1-CG2 4.11Å; I32-V58 HydrophobicContact CG1-CG2 4.1Å; I32-V58 HydrophobicContact CG2-CG2 3.83Å; V58-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CG 4.49Å; V58-A154 WeakPolarHBondContact O-CA 3.32Å; V58-V155 PolarHBondContact N-O 3.02Å; V58-V155 PolarHBondContact O-N 3.15Å
59L91.1Very high76.9Confident43 Ų4370.9 Ų70.923%0.22541%0.406CS..EExtended strand (participates in β ladder)trans-91.9114.7175.1179.460.1000110.2C22 K23 S24 E61 R123C22-L59 WeakPolarHBondContact CA-O 3.3Å; K23-L59 HydrophobicContact CB-CD2 4.47Å; K23-L59 PolarHBondContact N-O 2.69Å; S24-L59 PolarHBondContact OG-N 3.27Å; S24-L59 VanDerWaalsContact OG-N 3.13Å; L59-E61 HydrophobicContact CD2-CG 4.49Å; L59-E61 HydrophobicContact CG-CG 4.19Å; L59-R123 VanDerWaalsContact CD1-NH2 3.3Å
60L92.1Very high78.9Confident0 Ų064.5 Ų64.50%038%0.384CS..EExtended strand (participates in β ladder)trans-97.8131.2172-55.6179.7000109.5T18 W20 A21 V58 I71 S152 V153 V155T18-L60 HydrophobicContact CG2-CD1 3.82Å; T18-L60 HydrophobicContact CG2-CD2 3.7Å; T18-L60 HydrophobicContact CG2-CG 4.44Å; W20-L60 HydrophobicContact CB-CB 4.02Å; W20-L60 HydrophobicContact CE3-CB 4.37Å; A21-L60 WeakPolarHBondContact O-CA 3.42Å; V58-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CG 4.49Å; L60-I71 HydrophobicContact CD1-CD1 4.27Å; L60-I71 HydrophobicContact CD1-CG1 4.37Å; L60-S152 CarbonylContact O-C 3.53Å; L60-S152 VanDerWaalsContact O-CA 3.22Å; L60-S152 WeakPolarHBondContact O-CA 3.23Å; L60-V153 HydrophobicContact CB-CG1 4.01Å; L60-V153 HydrophobicContact CD1-CG1 4.46Å; L60-V153 PolarHBondContact N-O 3.37Å; L60-V153 PolarHBondContact O-N 2.96Å; L60-V155 HydrophobicContact CD1-CG2 3.83Å; L60-V155 HydrophobicContact CG-CG2 4.39Å
61E91.9Very high81.2Confident53 Ų5358.2 Ų58.225%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-122.2142175.6-61.6-156.7-17600113W20 A21 K23 L59 V63 G151W20-E61 CarbonylContact C-O 3.5Å; W20-E61 WeakPolarHBondContact CA-O 3.31Å; W20-E61 VanDerWaalsContact CB-O 3.29Å; W20-E61 WeakPolarHBondContact CB-O 3.43Å; A21-E61 PolarHBondContact N-O 3.35Å; A21-E61 PolarHBondContact O-N 3.5Å; K23-E61 VanDerWaalsContact CD-CD 3.47Å; K23-E61 HydrophobicContact CD-CG 4.06Å; K23-E61 WeakPolarHBondContact CD-OE2 3.28Å; K23-E61 WeakPolarHBondContact CE-OE2 3.47Å; K23-E61 HydrophobicContact CG-CB 4.44Å; K23-E61 HydrophobicContact CG-CG 4.1Å; K23-E61 IonicContact NZ-OE1 2.63Å; K23-E61 IonicContact NZ-OE2 3.74Å; K23-E61 PolarHBondContact NZ-OE2 3.22Å; L59-E61 HydrophobicContact CD2-CG 4.49Å; L59-E61 HydrophobicContact CG-CG 4.19Å; E61-V63 PolarHBondContact O-N 3.43Å; E61-G151 WeakPolarHBondContact CA-O 3.39Å
62Q92.1Very high83.2Confident63 Ų6358.3 Ų58.329%0.29435%0.35SS..  trans-66.1120.4-179-176.2168.167.500111.2W20 E64 G66 S67 G151W20-Q62 HydrophobicContact CD2-CB 3.95Å; W20-Q62 HydrophobicContact CE3-CB 4.27Å; W20-Q62 HydrophobicContact CH2-CB 4.03Å; W20-Q62 HydrophobicContact CZ2-CB 3.68Å; W20-Q62 HydrophobicContact CZ2-CG 3.93Å; W20-Q62 HydrophobicContact CZ3-CB 4.31Å; Q62-E64 VanDerWaalsContact CD-O 3.23Å; Q62-E64 WeakPolarHBondContact CG-O 3.13Å; Q62-E64 PolarHBondContact NE2-O 3.21Å; Q62-G66 VanDerWaalsContact NE2-N 3.2Å; Q62-S67 PolarHBondContact NE2-O 3.43Å; Q62-G151 WeakPolarHBondContact CB-O 3.39Å; Q62-G151 PolarHBondContact N-O 3.18Å
63V87.7Confident85.3Confident109 Ų10953.1 Ų53.166%0.66132%0.317SS*.SBendtrans-83.6-34.5178.9-173.70000111.8A21 E61A21-V63 HydrophobicContact CB-CG2 3.62Å; E61-V63 PolarHBondContact O-N 3.43Å
64E87.6Confident87.2Confident143 Ų14350.7 Ų50.767%0.66831%0.307SS*.SBendtrans-126.8130.4-177.3179.4178.5-154.400109.9Q62 G66 S67Q62-E64 VanDerWaalsContact CD-O 3.23Å; Q62-E64 WeakPolarHBondContact CG-O 3.13Å; Q62-E64 PolarHBondContact NE2-O 3.21Å; E64-G66 PolarHBondContact O-N 2.87Å; E64-G66 VanDerWaalsContact O-N 3.11Å; E64-S67 PolarHBondContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.17Å; E64-S67 VanDerWaalsContact O-OG 3.12Å
65Q85.4Confident88.9Confident193 Ų19348.6 Ų48.690%0.90228%0.282SS*.THydrogen-bonded Turntrans-64115.1-171.8-171.2173.921.700111.7
66G83.1Confident90.1Very high64 Ų6447.1 Ų47.166%0.6627%0.273SS*.THydrogen-bonded Turntrans95.2-5.4-178.900000115.3Q62 E64Q62-G66 VanDerWaalsContact NE2-N 3.2Å; E64-G66 PolarHBondContact O-N 2.87Å; E64-G66 VanDerWaalsContact O-N 3.11Å
67S90.2Very high90.1Very high25 Ų2549.5 Ų49.518%0.17529%0.29CS..  trans-65.6138.2176.373.70000111.8W20 Q62 E64W20-S67 WeakPolarHBondContact CZ2-O 3.37Å; W20-S67 PolarHBondContact NE1-O 3.02Å; W20-S67 PolarHBondContact NE1-OG 3.18Å; Q62-S67 PolarHBondContact NE2-O 3.43Å; E64-S67 PolarHBondContact O-N 3.15Å; E64-S67 PolarHBondContact O-OG 3.17Å; E64-S67 VanDerWaalsContact O-OG 3.12Å
68P92.7Very high89.6Confident71 Ų7155.7 Ų55.746%0.46132%0.316SS..  trans-69.9144.5178.929.6-34.8000111.2S19 W20 V70 K143S19-P68 PolarHBondContact OG-O 3Å; W20-P68 PolarHBondContact NE1-O 2.93Å; P68-V70 HydrophobicContact CB-CG2 4.21Å; P68-V70 HydrophobicContact CG-CG2 4.11Å; P68-V70 PolarHBondContact O-N 3.45Å; P68-K143 HydrophobicContact CB-CG 4.48Å
69C94.6Very high88.9Confident1 Ų157.3 Ų57.31%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-79.389.7173.9-176.90000110.4W20 L144 L147 V153W20-C69 HydrophobicContact CD2-CB 3.6Å; W20-C69 HydrophobicContact CE3-CB 3.84Å; W20-C69 HydrophobicContact CG-CB 4.11Å; W20-C69 HydrophobicContact CH2-CB 4.09Å; W20-C69 HydrophobicContact CZ2-CB 3.84Å; W20-C69 HydrophobicContact CZ3-CB 4.08Å; C69-L144 HydrophobicContact CB-CB 4.15Å; C69-L144 PolarHBondContact O-N 3.08Å; C69-L147 HydrophobicContact CB-CD1 3.99Å; C69-V153 HydrophobicContact CB-CG1 4.44Å; C69-V153 VanDerWaalsContact SG-CG1 3.6Å
70V95.8Very high88.3Confident18 Ų1858.7 Ų58.711%0.10934%0.339CS..EExtended strand (participates in β ladder)trans-100134.8175.4-175.80000111.3S19 P68 E141 K143S19-V70 PolarHBondContact N-O 2.92Å; S19-V70 WeakPolarHBondContact OG-CA 3.26Å; S19-V70 PolarHBondContact OG-N 3.44Å; S19-V70 PolarHBondContact OG-O 3.44Å; P68-V70 HydrophobicContact CB-CG2 4.21Å; P68-V70 HydrophobicContact CG-CG2 4.11Å; P68-V70 PolarHBondContact O-N 3.45Å; V70-E141 HydrophobicContact CG1-CB 3.84Å; V70-E141 HydrophobicContact CG1-CG 4.41Å; V70-K143 HydrophobicContact CG2-CB 4.22Å; V70-K143 HydrophobicContact CG2-CG 4.18Å
71I95.9Very high88Confident2 Ų258.9 Ų58.91%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-109.9110.2168-48.9-177.9000107.8H17 T18 L29 L60 L73 V142 L144 V155H17-I71 CarbonylContact O-C 3.55Å; H17-I71 WeakPolarHBondContact O-CA 3.11Å; T18-I71 HydrophobicContact CG2-CB 4.48Å; T18-I71 HydrophobicContact CG2-CG1 4.06Å; T18-I71 HydrophobicContact CG2-CG2 4.23Å; L29-I71 HydrophobicContact CD1-CG2 4.35Å; L29-I71 HydrophobicContact CD2-CG2 4.02Å; L60-I71 HydrophobicContact CD1-CD1 4.27Å; L60-I71 HydrophobicContact CD1-CG1 4.37Å; I71-L73 HydrophobicContact CG2-CD2 4Å; I71-L73 HydrophobicContact CG2-CG 4.49Å; I71-V142 HydrophobicContact CB-CB 4.46Å; I71-V142 PolarHBondContact N-O 3.14Å; I71-V142 PolarHBondContact O-N 2.62Å; I71-L144 HydrophobicContact CD1-CD1 4.22Å; I71-L144 HydrophobicContact CD1-CG 4.47Å; I71-V155 HydrophobicContact CD1-CG1 4.45Å; I71-V155 HydrophobicContact CD1-CG2 4.21Å
72T95Very high88Confident27 Ų2758.3 Ų58.317%0.16634%0.339CS..EExtended strand (participates in β ladder)trans-85132.5174.5-46.60000108.6G16 H17 E141G16-T72 CarbonylContact C-O 3.55Å; G16-T72 VanDerWaalsContact CA-O 3.23Å; G16-T72 WeakPolarHBondContact CA-O 3.46Å; H17-T72 PolarHBondContact N-O 3.34Å; H17-T72 PolarHBondContact O-N 3.01Å; T72-E141 HydrophobicContact CG2-CG 4.18Å; T72-E141 PolarHBondContact OG1-OE1 3.06Å
73L94.8Very high88Confident0 Ų055.3 Ų55.30%033%0.325CS..EExtended strand (participates in β ladder)trans-120.2133.8180-59.1173000109.2V14 L33 I71 I83 L86 S139 C140 V142 V158 M160V14-L73 HydrophobicContact CG1-CB 4.48Å; L33-L73 HydrophobicContact CD2-CD2 3.86Å; I71-L73 HydrophobicContact CG2-CD2 4Å; I71-L73 HydrophobicContact CG2-CG 4.49Å; L73-I83 HydrophobicContact CB-CD1 4.11Å; L73-L86 HydrophobicContact CD1-CD2 3.78Å; L73-S139 CarbonylContact O-C 3.51Å; L73-S139 WeakPolarHBondContact O-CA 3.44Å; L73-S139 VanDerWaalsContact O-CB 3.32Å; L73-S139 WeakPolarHBondContact O-CB 3.41Å; L73-S139 PolarHBondContact O-OG 3.27Å; L73-C140 PolarHBondContact N-O 3.47Å; L73-C140 PolarHBondContact O-N 2.91Å; L73-V142 HydrophobicContact CD1-CG2 3.79Å; L73-V158 HydrophobicContact CD1-CG1 4.09Å; L73-V158 HydrophobicContact CD2-CG1 4.48Å; L73-M160 HydrophobicContact CB-SD 4.48Å; L73-M160 HydrophobicContact CD1-CG 4.29Å; L73-M160 HydrophobicContact CD1-SD 3.88Å; L73-M160 HydrophobicContact CD2-SD 3.98Å; L73-M160 HydrophobicContact CG-SD 4.33Å
74C92.4Very high88.2Confident47 Ų4751 Ų5132%0.31830%0.299SS..EExtended strand (participates in β ladder)trans-141.2121.7-175.3-56.90000110.9V14 N15 S139V14-C74 WeakPolarHBondContact CA-O 3.42Å; N15-C74 PolarHBondContact N-O 3.26Å; N15-C74 PolarHBondContact O-N 2.95Å; C74-S139 PolarHBondContact SG-OG 3.32Å
75C89.8Confident88.5Confident19 Ų1944.5 Ų44.513%0.12827%0.27CS..EExtended strand (participates in β ladder)trans-58.5142.9168.6-67.20000110.6P13 A81 A138P13-C75 WeakPolarHBondContact O-CA 3.3Å; C75-A81 PolarHBondContact SG-O 3.31Å; C75-A138 WeakPolarHBondContact CB-O 3.4Å; C75-A138 PolarHBondContact N-O 3.38Å
76A86.1Confident88.9Confident4 Ų435.3 Ų35.33%0.03323%0.227CC..  trans-65.4139.8179.100000110.5P13 H78 C79P13-A76 PolarHBondContact O-N 3.48Å; A76-H78 PolarHBondContact O-N 2.93Å; A76-C79 HydrophobicContact CB-CB 4.35Å; A76-C79 WeakPolarHBondContact O-CB 3.48Å; A76-C79 PolarHBondContact O-N 3.22Å
77P77.6Confident89.4Confident135 Ų13532.3 Ų32.388%0.87720%0.195SC*.THydrogen-bonded Turntrans-67.7-6.9-170.627.1-36.4000114.8
78H76.6Confident89.6Confident152 Ų15231.1 Ų31.170%0.70419%0.187SC*.THydrogen-bonded Turntrans-102.41.2173.760.5-102.4000113A76A76-H78 PolarHBondContact O-N 2.93Å
79C73.5Confident89.6Confident35 Ų3527.9 Ų27.924%0.23617%0.166CC..  trans-111.7115.2-178.8-167.80000109.9P13 A76 A81P13-C79 HydrophobicContact CB-CB 4.47Å; A76-C79 HydrophobicContact CB-CB 4.35Å; A76-C79 WeakPolarHBondContact O-CB 3.48Å; A76-C79 PolarHBondContact O-N 3.22Å; C79-A81 PolarHBondContact O-N 3.43Å
80P79Confident89.6Confident72 Ų7227.9 Ų27.947%0.46817%0.166SC..  trans-7957.6178.334-35.5000110.9T164 L165P80-T164 HydrophobicContact CG-CG2 4.16Å; P80-T164 CarbonylContact O-C 3.51Å; P80-T164 WeakPolarHBondContact O-CA 3.32Å; P80-L165 PolarHBondContact O-N 3.46Å
81A86.8Confident89.4Confident4 Ų427.2 Ų27.23%0.03316%0.161CC..EExtended strand (participates in β ladder)trans-113.3139.1-178.700000111.4C75 C79 L162 Q163C75-A81 PolarHBondContact SG-O 3.31Å; C79-A81 PolarHBondContact O-N 3.43Å; A81-L162 HydrophobicContact CB-CB 4.36Å; A81-L162 HydrophobicContact CB-CD1 4.27Å; A81-L162 HydrophobicContact CB-CD2 4.5Å; A81-Q163 WeakPolarHBondContact CA-O 3.47Å
82L91.2Very high89.3Confident41 Ų4127.1 Ų27.122%0.21516%0.161CC..EExtended strand (participates in β ladder)trans-111.4136.3169.3-59.2180000109.6T84 P136 A138 L162 Q163 L165L82-T84 PolarHBondContact O-N 3.27Å; L82-P136 HydrophobicContact CB-CB 3.75Å; L82-P136 HydrophobicContact CD1-CB 3.97Å; L82-A138 HydrophobicContact CD2-CB 3.99Å; L82-L162 WeakPolarHBondContact O-CA 3.27Å; L82-Q163 PolarHBondContact N-O 2.95Å; L82-Q163 PolarHBondContact O-N 3.34Å; L82-L165 HydrophobicContact CD1-CD1 4.08Å; L82-L165 HydrophobicContact CD1-CD2 4.09Å; L82-L165 HydrophobicContact CD1-CG 4.27Å; L82-L165 HydrophobicContact CG-CD1 4.16Å; L82-L165 HydrophobicContact CG-CG 4.31Å
83I92.3Very high89.3Confident0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-70.6117.7169.8-54.7172.4000107.3L73 L86 L133 P136 A137 G161 L162L73-I83 HydrophobicContact CB-CD1 4.11Å; I83-L86 HydrophobicContact CG2-CD2 3.8Å; I83-L86 HydrophobicContact CG2-CG 4.21Å; I83-L133 HydrophobicContact CB-CD1 4.44Å; I83-L133 HydrophobicContact CG2-CD1 3.97Å; I83-P136 CarbonylContact O-C 3.53Å; I83-P136 VanDerWaalsContact O-CA 3.24Å; I83-P136 WeakPolarHBondContact O-CA 3.48Å; I83-A137 WeakPolarHBondContact CB-O 3.37Å; I83-A137 PolarHBondContact N-O 2.89Å; I83-A137 PolarHBondContact O-N 3.22Å; I83-G161 CarbonylContact C-O 3.53Å; I83-G161 WeakPolarHBondContact CA-O 3.29Å; I83-L162 HydrophobicContact CB-CD2 4.49Å; I83-L162 HydrophobicContact CG1-CD2 3.88Å
84T92Very high89.3Confident17 Ų1732.4 Ų32.410%0.10418%0.18CC..EExtended strand (participates in β ladder)trans-98.6-22.5175.860.50000112.7L82 L133 P136 G161 Q163L82-T84 PolarHBondContact O-N 3.27Å; T84-L133 PolarHBondContact O-N 3.38Å; T84-P136 HydrophobicContact CG2-CB 4.06Å; T84-P136 HydrophobicContact CG2-CG 4.11Å; T84-G161 PolarHBondContact N-O 3.08Å; T84-G161 PolarHBondContact OG1-O 3.23Å; T84-Q163 HydrophobicContact CG2-CB 3.5Å
85S92.6Very high89.6Confident8 Ų830.2 Ų30.26%0.05617%0.165CC..EExtended strand (participates in β ladder)trans-165.3156.5-168.745.10000111.7I44 L131 G161I44-S85 WeakPolarHBondContact CD1-OG 3.32Å; S85-L131 CarbonylContact C-O 3.59Å; S85-L131 VanDerWaalsContact CA-O 3.29Å; S85-L131 WeakPolarHBondContact CA-O 3.34Å; S85-G161 PolarHBondContact O-N 3.05Å
86L94.8Very high89.9Confident0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-138.4130.6-172.6-66172.5000110.4L73 I83 V97 H130 L131 L133 V142 M160L73-L86 HydrophobicContact CD1-CD2 3.78Å; I83-L86 HydrophobicContact CG2-CD2 3.8Å; I83-L86 HydrophobicContact CG2-CG 4.21Å; L86-V97 HydrophobicContact CD1-CG1 3.79Å; L86-V97 HydrophobicContact CD1-CG2 3.91Å; L86-H130 CarbonylContact O-C 3.56Å; L86-H130 WeakPolarHBondContact O-CA 3.44Å; L86-H130 PolarHBondContact O-CD2 2.9Å; L86-L131 PolarHBondContact N-O 3.27Å; L86-L131 PolarHBondContact O-N 3.17Å; L86-L133 HydrophobicContact CD1-CD2 4.41Å; L86-V142 HydrophobicContact CD1-CG2 3.71Å; L86-M160 HydrophobicContact CD2-CB 4.36Å; L86-M160 HydrophobicContact CD2-CG 3.78Å
87L93.8Very high90.5Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-120.1123.2167.2-180153.3000109.3I44 D48 R128 K129 V158 V159I44-L87 HydrophobicContact CG2-CB 3.89Å; I44-L87 HydrophobicContact CG2-CD1 4.3Å; D48-L87 HydrophobicContact CB-CD1 3.97Å; D48-L87 HydrophobicContact CB-CD2 3.87Å; L87-R128 HydrophobicContact CD1-CG 4.3Å; L87-R128 HydrophobicContact CD2-CG 4.09Å; L87-R128 HydrophobicContact CG-CG 4.09Å; L87-K129 CarbonylContact C-O 3.53Å; L87-K129 VanDerWaalsContact CA-O 3.25Å; L87-K129 WeakPolarHBondContact CA-O 3.42Å; L87-V158 CarbonylContact O-C 3.54Å; L87-V158 WeakPolarHBondContact O-CA 3.37Å; L87-V159 HydrophobicContact CB-CB 4.21Å; L87-V159 HydrophobicContact CD2-CB 4.42Å; L87-V159 HydrophobicContact CD2-CG2 3.94Å; L87-V159 PolarHBondContact N-O 3.49Å; L87-V159 PolarHBondContact O-N 3.48Å
88V94.4Very high91.4Very high1 Ų127.3 Ų27.31%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-127.6116.1-170.6-177.90000110.3I95 K129 V142 L144 V158V88-I95 HydrophobicContact CB-CD1 4.34Å; V88-I95 HydrophobicContact CG2-CD1 4.02Å; V88-K129 HydrophobicContact CB-CB 4.41Å; V88-K129 PolarHBondContact N-O 2.87Å; V88-K129 WeakPolarHBondContact O-CE 3.47Å; V88-K129 PolarHBondContact O-N 3.25Å; V88-K129 PolarHBondContact O-NZ 3.35Å; V88-V142 HydrophobicContact CG2-CG1 4.35Å; V88-L144 HydrophobicContact CG1-CD2 4.37Å; V88-V158 HydrophobicContact CG1-CG2 4.46Å; V88-V158 HydrophobicContact CG2-CG1 4.42Å
89T93Very high92.1Very high3 Ų320.9 Ų20.92%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-104.4109.1176.6-56.80000109.2T116 F126 Y127 A156 R157T89-T116 HydrophobicContact CG2-CG2 4.42Å; T89-F126 HydrophobicContact CG2-CB 4.09Å; T89-F126 HydrophobicContact CG2-CD1 4.34Å; T89-Y127 WeakPolarHBondContact CA-O 3.44Å; T89-A156 HydrophobicContact CG2-CB 4.22Å; T89-A156 PolarHBondContact O-N 3.07Å; T89-R157 PolarHBondContact N-O 3.29Å; T89-R157 PolarHBondContact O-N 3.38Å
90S93.3Very high92.7Very high0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-159.5160.7-172.660.30000111.4A92 Y127 K129 A154S90-A92 PolarHBondContact O-N 2.82Å; S90-Y127 PolarHBondContact N-O 2.94Å; S90-Y127 PolarHBondContact O-N 2.94Å; S90-Y127 VanDerWaalsContact O-O 3.12Å; S90-K129 PolarHBondContact O-NZ 3.08Å; S90-K129 PolarHBondContact OG-NZ 3.32Å; S90-A154 VanDerWaalsContact CA-O 3.32Å; S90-A154 WeakPolarHBondContact CA-O 3.27Å; S90-A154 VanDerWaalsContact CB-O 3.31Å; S90-A154 WeakPolarHBondContact CB-O 3.33Å
91E92.7Very high93.1Very high4 Ų427.4 Ų27.42%0.01914%0.143CC..SBendtrans-65.8-18.5176.2-63.417897.600113.9R93 R123 G124 Y127 R150 V153 A154E91-R93 PolarHBondContact O-N 3.46Å; E91-R123 IonicContact OE1-NH1 3.81Å; E91-R123 IonicContact OE2-CZ 3.2Å; E91-R123 IonicContact OE2-NH1 3.56Å; E91-R123 PolarHBondContact OE2-NH1 3.45Å; E91-R123 IonicContact OE2-NH2 3.85Å; E91-G124 PolarHBondContact OE1-N 2.99Å; E91-Y127 WeakPolarHBondContact O-CD2 3.49Å; E91-R150 IonicContact OE1-CZ 3.53Å; E91-R150 IonicContact OE1-NH1 3.72Å; E91-R150 PolarHBondContact OE1-NH1 3.33Å; E91-R150 IonicContact OE1-NH2 2.66Å; E91-R150 IonicContact OE2-NH1 3.93Å; E91-V153 HydrophobicContact CB-CG2 4.25Å; E91-A154 HydrophobicContact CG-CB 4.21Å; E91-A154 PolarHBondContact N-O 3Å; E91-A154 VanDerWaalsContact N-O 3.14Å; E91-A154 PolarHBondContact OE2-N 3.04Å
92A94.2Very high93.1Very high0 Ų029.6 Ų29.60%017%0.167CC..  trans-65.2121.2177.300000110.3S90 T94 K129 L144 L145 L147 V153S90-A92 PolarHBondContact O-N 2.82Å; A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 3.35Å; A92-K129 WeakPolarHBondContact O-CE 3.45Å; A92-K129 PolarHBondContact O-NZ 2.86Å; A92-L144 HydrophobicContact CB-CB 3.77Å; A92-L144 HydrophobicContact CB-CD1 4.41Å; A92-L144 HydrophobicContact CB-CD2 4.32Å; A92-L144 HydrophobicContact CB-CG 4.39Å; A92-L145 WeakPolarHBondContact CA-O 3.31Å; A92-L145 WeakPolarHBondContact CB-O 3.43Å; A92-L147 HydrophobicContact CB-CD2 3.75Å; A92-V153 HydrophobicContact CB-CG2 4.44Å
93R93.8Very high93.2Very high121 Ų12132.4 Ų32.446%0.45718%0.182SC..SBendtrans-72.3-20.6-176-69.9177.6172.9169.60.3114.3E91 G110 Y127 L145E91-R93 PolarHBondContact O-N 3.46Å; R93-G110 PolarHBondContact O-N 3.18Å; R93-Y127 HydrophobicContact CG-CD1 4.27Å; R93-Y127 HydrophobicContact CG-CD2 3.7Å; R93-Y127 HydrophobicContact CG-CE1 4.05Å; R93-Y127 HydrophobicContact CG-CE2 3.44Å; R93-Y127 VanDerWaalsContact CG-CE2 3.44Å; R93-Y127 HydrophobicContact CG-CG 4.13Å; R93-Y127 PolarHBondContact NE-OH 3.25Å; R93-Y127 PolarHBondContact NH2-OH 2.79Å; R93-L145 PolarHBondContact N-O 3.08Å
94T95.9Very high93.3Very high18 Ų1838.4 Ų38.411%0.1121%0.205CC..EExtended strand (participates in β ladder)trans-139.9148.8-178.2-60.90000108.9A92 T107 S108 L145A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 3.35Å; T94-T107 WeakPolarHBondContact CG2-OG1 3.41Å; T94-S108 CarbonylContact C-O 3.57Å; T94-S108 VanDerWaalsContact CA-O 3.31Å; T94-S108 WeakPolarHBondContact CA-O 3.48Å; T94-L145 HydrophobicContact CG2-CD1 4.18Å; T94-L145 WeakPolarHBondContact O-CB 3.25Å; T94-L145 PolarHBondContact O-N 3.17Å
95I97.6Very high93.4Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-120.6149.1164.961.9-179.1000110.4V88 V97 T107 S108 K129 V142 K143 L144V88-I95 HydrophobicContact CB-CD1 4.34Å; V88-I95 HydrophobicContact CG2-CD1 4.02Å; I95-V97 HydrophobicContact CD1-CG2 4.19Å; I95-V97 HydrophobicContact CG1-CG2 4.45Å; I95-T107 VanDerWaalsContact O-CA 3.23Å; I95-T107 WeakPolarHBondContact O-CA 3.44Å; I95-T107 WeakPolarHBondContact O-CB 3.49Å; I95-T107 PolarHBondContact O-OG1 3.01Å; I95-S108 PolarHBondContact N-O 2.93Å; I95-S108 PolarHBondContact O-N 3.35Å; I95-K129 HydrophobicContact CD1-CB 3.83Å; I95-K129 HydrophobicContact CD1-CG 4.25Å; I95-K129 HydrophobicContact CG1-CB 4.17Å; I95-K129 HydrophobicContact CG1-CD 4.5Å; I95-K129 HydrophobicContact CG1-CG 4.07Å; I95-K129 HydrophobicContact CG2-CD 3.74Å; I95-K129 HydrophobicContact CG2-CG 4.26Å; I95-V142 HydrophobicContact CB-CG1 4.16Å; I95-V142 HydrophobicContact CD1-CG1 4.19Å; I95-V142 HydrophobicContact CG2-CG1 4.13Å; I95-K143 VanDerWaalsContact CA-O 3.31Å; I95-K143 WeakPolarHBondContact CA-O 3.38Å; I95-L144 HydrophobicContact CG2-CD2 3.56Å
96E97.8Very high93.4Very high42 Ų4239.3 Ų39.320%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-109.2146.3158.1-68.8165.1153.100107.5Y98 Y104 G106 K143 L145E96-Y98 HydrophobicContact CB-CE2 3.65Å; E96-Y98 PolarHBondContact OE2-OH 3.22Å; E96-Y104 HydrophobicContact CG-CE2 4.39Å; E96-G106 WeakPolarHBondContact CA-O 3.46Å; E96-K143 HydrophobicContact CB-CB 4.34Å; E96-K143 PolarHBondContact N-O 2.95Å; E96-K143 PolarHBondContact O-N 3.27Å; E96-K143 VanDerWaalsContact OE2-CD 3.31Å; E96-K143 WeakPolarHBondContact OE2-CD 3.31Å; E96-K143 VanDerWaalsContact OE2-CE 3.25Å; E96-K143 WeakPolarHBondContact OE2-CE 3.47Å; E96-K143 IonicContact OE2-NZ 2.67Å; E96-K143 PolarHBondContact OE2-NZ 3.02Å; E96-L145 VanDerWaalsContact CD-CD1 3.49Å; E96-L145 HydrophobicContact CG-CD1 3.71Å
97V97.6Very high93.5Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-125.9136.7177.3-175.40000109.7L86 I95 C105 G106 L131 L133 C140 E141 V142L86-V97 HydrophobicContact CD1-CG1 3.79Å; L86-V97 HydrophobicContact CD1-CG2 3.91Å; I95-V97 HydrophobicContact CD1-CG2 4.19Å; I95-V97 HydrophobicContact CG1-CG2 4.45Å; V97-C105 HydrophobicContact CB-CB 4.46Å; V97-C105 HydrophobicContact CG1-CB 4.31Å; V97-C105 WeakPolarHBondContact O-CA 3.27Å; V97-C105 WeakPolarHBondContact O-CB 3.12Å; V97-C105 PolarHBondContact O-N 2.9Å; V97-G106 PolarHBondContact N-O 2.94Å; V97-G106 PolarHBondContact O-N 3.28Å; V97-L131 HydrophobicContact CB-CD2 3.79Å; V97-L131 HydrophobicContact CG2-CD2 3.55Å; V97-L133 HydrophobicContact CG1-CD2 3.99Å; V97-C140 HydrophobicContact CG1-CB 4.08Å; V97-E141 CarbonylContact C-O 3.42Å; V97-E141 VanDerWaalsContact CA-O 3.26Å; V97-E141 WeakPolarHBondContact CA-O 3.46Å; V97-V142 HydrophobicContact CG1-CG2 4.46Å; V97-V142 HydrophobicContact CG2-CG1 4.36Å; V97-V142 HydrophobicContact CG2-CG2 4.24Å
98Y96.3Very high93.6Very high55 Ų5543.1 Ų43.122%0.21624%0.238CC..EExtended strand (participates in β ladder)trans-127.2155.2-178.6-59.4-94.7000112.1E96 D103 Y104 C140 E141 K143E96-Y98 HydrophobicContact CB-CE2 3.65Å; E96-Y98 PolarHBondContact OE2-OH 3.22Å; Y98-D103 CarbonylContact C-O 3.58Å; Y98-D103 WeakPolarHBondContact CA-O 3.42Å; Y98-D103 WeakPolarHBondContact CB-O 3.38Å; Y98-Y104 AromaticContact CE1-CD2 3.97Å; Y98-Y104 HydrophobicContact CE1-CD2 3.97Å; Y98-C140 CarbonylContact O-C 3.59Å; Y98-C140 WeakPolarHBondContact O-CA 3.27Å; Y98-C140 VanDerWaalsContact O-CB 3.24Å; Y98-C140 WeakPolarHBondContact O-CB 3.4Å; Y98-E141 PolarHBondContact N-O 3.11Å; Y98-E141 PolarHBondContact O-N 3.29Å; Y98-K143 HydrophobicContact CE2-CB 4.36Å; Y98-K143 HydrophobicContact CE2-CD 3.93Å
99S91.6Very high93.7Very high18 Ų1851.7 Ų51.713%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-74165.1172.986.30000110.9A101 G102 D103 C105S99-A101 PolarHBondContact O-N 3.25Å; S99-A101 PolarHBondContact OG-N 3.27Å; S99-G102 PolarHBondContact O-N 2.67Å; S99-G102 PolarHBondContact OG-N 3.36Å; S99-D103 PolarHBondContact N-O 2.96Å; S99-D103 WeakPolarHBondContact OG-CB 3.17Å; S99-D103 PolarHBondContact OG-N 3.04Å; S99-D103 VanDerWaalsContact OG-N 3.08Å; S99-D103 PolarHBondContact OG-OD2 3.14Å; S99-C105 PolarHBondContact N-SG 3.24Å
100Q85.9Confident93.6Very high155 Ų15552.1 Ų52.172%0.72428%0.275SS*.THydrogen-bonded Turntrans-59.9-20.8169.9-166.9-1805.400113.5
101A86.9Confident93.5Very high88 Ų8859.8 Ų59.873%0.72731%0.31SS*.THydrogen-bonded Turntrans-89.1-2.3174.400000113.3S99S99-A101 PolarHBondContact O-N 3.25Å; S99-A101 PolarHBondContact OG-N 3.27Å
102G88.5Confident93.3Very high51 Ų5168 Ų6853%0.52634%0.341SS..SBendtrans90.73.2-179.400000114.9S99S99-G102 PolarHBondContact O-N 2.67Å; S99-G102 PolarHBondContact OG-N 3.36Å
103D92.4Very high92.6Very high100 Ų10068.9 Ų68.954%0.53535%0.346SS..  trans-66.1143.6176.2-45-72.5000110.5Y98 S99 C105Y98-D103 CarbonylContact C-O 3.58Å; Y98-D103 WeakPolarHBondContact CA-O 3.42Å; Y98-D103 WeakPolarHBondContact CB-O 3.38Å; S99-D103 PolarHBondContact N-O 2.96Å; S99-D103 WeakPolarHBondContact OG-CB 3.17Å; S99-D103 PolarHBondContact OG-N 3.04Å; S99-D103 VanDerWaalsContact OG-N 3.08Å; S99-D103 PolarHBondContact OG-OD2 3.14Å; D103-C105 PolarHBondContact O-N 2.96Å
104Y95Very high91.4Very high125 Ų12568.2 Ų68.249%0.4936%0.358SS..EExtended strand (participates in β ladder)trans-78.1116.4175.9171.4-99.3000111E96 Y98 G106 T107E96-Y104 HydrophobicContact CG-CE2 4.39Å; Y98-Y104 AromaticContact CE1-CD2 3.97Å; Y98-Y104 HydrophobicContact CE1-CD2 3.97Å; Y104-G106 WeakPolarHBondContact CE2-O 3.15Å; Y104-T107 VanDerWaalsContact OH-CB 3.27Å; Y104-T107 WeakPolarHBondContact OH-CB 3.4Å; Y104-T107 VanDerWaalsContact OH-CG2 3.23Å; Y104-T107 WeakPolarHBondContact OH-CG2 3.37Å; Y104-T107 PolarHBondContact OH-N 3.05Å; Y104-T107 VanDerWaalsContact OH-N 3.15Å
105C93.1Very high89.9Confident33 Ų3370.4 Ų70.422%0.22337%0.368CS..EExtended strand (participates in β ladder)trans-93.5-11.2179.3-58.40000113.8V97 S99 D103 L133V97-C105 HydrophobicContact CB-CB 4.46Å; V97-C105 HydrophobicContact CG1-CB 4.31Å; V97-C105 WeakPolarHBondContact O-CA 3.27Å; V97-C105 WeakPolarHBondContact O-CB 3.12Å; V97-C105 PolarHBondContact O-N 2.9Å; S99-C105 PolarHBondContact N-SG 3.24Å; D103-C105 PolarHBondContact O-N 2.96Å; C105-L133 HydrophobicContact CB-CD2 4.11Å
106G94.1Very high88.3Confident11 Ų1172.1 Ų72.111%0.11338%0.379CS..EExtended strand (participates in β ladder)trans143.8176.2174.100000115E96 V97 Y104E96-G106 WeakPolarHBondContact CA-O 3.46Å; V97-G106 PolarHBondContact N-O 2.94Å; V97-G106 PolarHBondContact O-N 3.28Å; Y104-G106 WeakPolarHBondContact CE2-O 3.15Å
107T96.2Very high86.4Confident67 Ų6778.3 Ų78.341%0.41141%0.408SS..EExtended strand (participates in β ladder)trans-129.9145.8172.2-172.40000110.1T94 I95 Y104T94-T107 WeakPolarHBondContact CG2-OG1 3.41Å; I95-T107 VanDerWaalsContact O-CA 3.23Å; I95-T107 WeakPolarHBondContact O-CA 3.44Å; I95-T107 WeakPolarHBondContact O-CB 3.49Å; I95-T107 PolarHBondContact O-OG1 3.01Å; Y104-T107 VanDerWaalsContact OH-CB 3.27Å; Y104-T107 WeakPolarHBondContact OH-CB 3.4Å; Y104-T107 VanDerWaalsContact OH-CG2 3.23Å; Y104-T107 WeakPolarHBondContact OH-CG2 3.37Å; Y104-T107 PolarHBondContact OH-N 3.05Å; Y104-T107 VanDerWaalsContact OH-N 3.15Å
108S95.5Very high84.6Confident14 Ų1481 Ų8110%0.09843%0.426CS..EExtended strand (participates in β ladder)trans-132.8128.8174.9-179.50000109.9T94 I95 H130T94-S108 CarbonylContact C-O 3.57Å; T94-S108 VanDerWaalsContact CA-O 3.31Å; T94-S108 WeakPolarHBondContact CA-O 3.48Å; I95-S108 PolarHBondContact N-O 2.93Å; I95-S108 PolarHBondContact O-N 3.35Å; S108-H130 WeakPolarHBondContact CB-O 3.35Å; S108-H130 PolarHBondContact OG-N 3.29Å; S108-H130 PolarHBondContact OG-O 3.02Å
109R95.9Very high82.7Confident181 Ų18184.8 Ų84.868%0.68345%0.449SS*.EExtended strand (participates in β ladder)trans-97126.5173.6-176.3179.3-17583.7-10108.5
110G92.1Very high81.1Confident11 Ų1186.1 Ų86.111%0.11346%0.459CS..PPolyproline II helixtrans-84.6140.5-173.900000113.8R93 Y127 R128R93-G110 PolarHBondContact O-N 3.18Å; G110-Y127 WeakPolarHBondContact O-CD1 3.49Å; G110-R128 CarbonylContact C-O 3.56Å; G110-R128 WeakPolarHBondContact CA-O 3.49Å
111E91.4Very high79.8Confident161 Ų16184 Ų8475%0.75247%0.468SS*.EExtended strand (participates in β ladder)trans-77.3155.6165.5-59.5-171.4149.300109.7D113 Y127 R128E111-D113 PolarHBondContact O-N 3.04Å; E111-Y127 CarbonylContact O-C 3.41Å; E111-Y127 WeakPolarHBondContact O-CA 3.32Å; E111-Y127 WeakPolarHBondContact O-CB 3.36Å; E111-R128 PolarHBondContact N-O 3.49Å; E111-R128 VanDerWaalsContact N-O 3.11Å; E111-R128 PolarHBondContact O-N 3.01Å
112R88.1Confident78.7Confident177 Ų17788.8 Ų88.867%0.66848%0.475SS*.EExtended strand (participates in β ladder)trans-71127.6177.8-179.8-176.4175.1-1670.4109.4P114 P125 Y127R112-P114 WeakPolarHBondContact O-CD 3.38Å; R112-P125 HydrophobicContact CG-CB 4.12Å; R112-Y127 HydrophobicContact CB-CD1 4.29Å; R112-Y127 HydrophobicContact CB-CE1 4.14Å
113D79.8Confident77.9Confident19 Ų1989.7 Ų89.710%0.10246%0.463CS..PPolyproline II helixtrans-75123.1171.1-171.4-11.5000110E111 N115 T116 F126E111-D113 PolarHBondContact O-N 3.04Å; D113-N115 WeakPolarHBondContact OD1-CB 3.41Å; D113-N115 PolarHBondContact OD1-N 3.46Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.37Å; D113-F126 HydrophobicContact CB-CB 4.42Å; D113-F126 PolarHBondContact N-O 3.01Å
114P67Low77.1Confident107 Ų10785.8 Ų85.870%0.69545%0.446SS*.SBendtrans-82.8-17.1174.234.5-36.1000113.7R112R112-P114 WeakPolarHBondContact O-CD 3.38Å
115N64.8Low76.8Confident63 Ų6381.7 Ų81.734%0.33744%0.435SS..SBendtrans-85.5-31.5-171.4-75.62.9000113D113 Q117D113-N115 WeakPolarHBondContact OD1-CB 3.41Å; D113-N115 PolarHBondContact OD1-N 3.46Å; N115-Q117 PolarHBondContact O-N 2.85Å
116T63.6Low76.7Confident36 Ų3680.6 Ų80.622%0.22143%0.426CS..  trans-82111.7176.451.50000111.4T89 D113 F126T89-T116 HydrophobicContact CG2-CG2 4.42Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.37Å; T116-F126 HydrophobicContact CG2-CB 4.43Å; T116-F126 HydrophobicContact CG2-CD2 4.39Å; T116-F126 HydrophobicContact CG2-CG 4.39Å; T116-F126 WeakPolarHBondContact OG1-CB 3.47Å
117Q58.6Low76.6Confident173 Ų17381.5 Ų81.581%0.80843%0.426SS*.  trans-73.5144.8160.9-68.7-165.31.900110N115N115-Q117 PolarHBondContact O-N 2.85Å
118P59Low76.4Confident57 Ų5781.2 Ų81.237%0.3742%0.418SS..  trans-76.7128.3170.631.6-32.2000110.1S120P118-S120 PolarHBondContact O-N 2.87Å
119D56.8Low76.4Confident133 Ų13380.6 Ų80.671%0.71141%0.413SS*.SBendtrans-60.8-16178.6-66.2-54000114
120S59.3Low76.3Confident47 Ų4775 Ų7533%0.32940%0.395SS..SBendtrans-141146.2172.972.90000112.3P118 E122 R123P118-S120 PolarHBondContact O-N 2.87Å; S120-E122 PolarHBondContact O-N 3.39Å; S120-E122 VanDerWaalsContact O-N 3.1Å; S120-R123 PolarHBondContact O-N 3.48Å; S120-R123 VanDerWaalsContact O-N 3.14Å
121A58Low76.4Confident110 Ų11075.6 Ų75.691%0.90940%0.395SS*.THydrogen-bonded Turntrans-65.1-12-179.800000114.2
122E62.5Low76.5Confident188 Ų18873.6 Ų73.688%0.87939%0.388SS*.THydrogen-bonded Turntrans-89.1-15.6177.6-59.3-173158.200113.3S120S120-E122 PolarHBondContact O-N 3.39Å; S120-E122 VanDerWaalsContact O-N 3.1Å
123R73Confident76.6Confident71 Ų7165.5 Ų65.527%0.26836%0.358SS..SBendtrans-93.1153.3-175.2-85.6175.9152.3-82.2-21112.9L59 E91 S120 S152L59-R123 VanDerWaalsContact CD1-NH2 3.3Å; E91-R123 IonicContact OE1-NH1 3.81Å; E91-R123 IonicContact OE2-CZ 3.2Å; E91-R123 IonicContact OE2-NH1 3.56Å; E91-R123 PolarHBondContact OE2-NH1 3.45Å; E91-R123 IonicContact OE2-NH2 3.85Å; S120-R123 PolarHBondContact O-N 3.48Å; S120-R123 VanDerWaalsContact O-N 3.14Å; R123-S152 PolarHBondContact NH2-OG 3.38Å; R123-S152 VanDerWaalsContact NH2-OG 3.09Å
124G76Confident76.8Confident18 Ų1874 Ų7419%0.18640%0.397CS..PPolyproline II helixtrans-73.5160.7-176.500000111.5E91E91-G124 PolarHBondContact OE1-N 2.99Å
125P87.8Confident77.7Confident39 Ų3972.8 Ų72.825%0.25339%0.392SS..PPolyproline II helixtrans-63.1147.8166.130.6-35.1000109.5R112 Y127R112-P125 HydrophobicContact CG-CB 4.12Å; P125-Y127 HydrophobicContact CG-CE2 4.01Å; P125-Y127 WeakPolarHBondContact O-CD2 3.37Å; P125-Y127 VanDerWaalsContact O-CE2 3.24Å; P125-Y127 WeakPolarHBondContact O-CE2 3.36Å
126F91Very high78.8Confident10 Ų1072.1 Ų72.14%0.04439%0.391CS..PPolyproline II helixtrans-70.8151.6166.7-67.6-102.4000110P57 T89 D113 T116 A154 A156P57-F126 HydrophobicContact CB-CE1 4.14Å; P57-F126 HydrophobicContact CB-CZ 3.82Å; P57-F126 HydrophobicContact CG-CZ 3.97Å; T89-F126 HydrophobicContact CG2-CB 4.09Å; T89-F126 HydrophobicContact CG2-CD1 4.34Å; D113-F126 HydrophobicContact CB-CB 4.42Å; D113-F126 PolarHBondContact N-O 3.01Å; T116-F126 HydrophobicContact CG2-CB 4.43Å; T116-F126 HydrophobicContact CG2-CD2 4.39Å; T116-F126 HydrophobicContact CG2-CG 4.39Å; T116-F126 WeakPolarHBondContact OG1-CB 3.47Å; F126-A154 HydrophobicContact CE1-CB 3.8Å; F126-A154 HydrophobicContact CZ-CB 3.65Å; F126-A156 HydrophobicContact CD1-CB 3.92Å; F126-A156 HydrophobicContact CE1-CB 3.72Å; F126-A156 HydrophobicContact CZ-CB 4.39Å
127Y92.4Very high80.1Confident29 Ų2971.1 Ų71.111%0.11439%0.386CS..EExtended strand (participates in β ladder)trans-118.3145.2170.3-61.8-91.1000108.2T89 S90 E91 R93 G110 E111 R112 P125 K129T89-Y127 WeakPolarHBondContact CA-O 3.44Å; S90-Y127 PolarHBondContact N-O 2.94Å; S90-Y127 PolarHBondContact O-N 2.94Å; S90-Y127 VanDerWaalsContact O-O 3.12Å; E91-Y127 WeakPolarHBondContact O-CD2 3.49Å; R93-Y127 HydrophobicContact CG-CD1 4.27Å; R93-Y127 HydrophobicContact CG-CD2 3.7Å; R93-Y127 HydrophobicContact CG-CE1 4.05Å; R93-Y127 HydrophobicContact CG-CE2 3.44Å; R93-Y127 VanDerWaalsContact CG-CE2 3.44Å; R93-Y127 HydrophobicContact CG-CG 4.13Å; R93-Y127 PolarHBondContact NE-OH 3.25Å; R93-Y127 PolarHBondContact NH2-OH 2.79Å; G110-Y127 WeakPolarHBondContact O-CD1 3.49Å; E111-Y127 CarbonylContact O-C 3.41Å; E111-Y127 WeakPolarHBondContact O-CA 3.32Å; E111-Y127 WeakPolarHBondContact O-CB 3.36Å; R112-Y127 HydrophobicContact CB-CD1 4.29Å; R112-Y127 HydrophobicContact CB-CE1 4.14Å; P125-Y127 HydrophobicContact CG-CE2 4.01Å; P125-Y127 WeakPolarHBondContact O-CD2 3.37Å; P125-Y127 VanDerWaalsContact O-CE2 3.24Å; P125-Y127 WeakPolarHBondContact O-CE2 3.36Å; Y127-K129 VanDerWaalsContact C-CE 3.45Å; Y127-K129 WeakPolarHBondContact O-CE 3.43Å; Y127-K129 PolarHBondContact O-NZ 3.18Å
128R92.5Very high81.7Confident62 Ų6265.3 Ų65.323%0.23437%0.367CS..EExtended strand (participates in β ladder)trans-102.6119.7172.4-169.7171.786.8149.99.4109.4S45 D48 L87 G110 E111S45-R128 PolarHBondContact O-NH1 3.41Å; S45-R128 PolarHBondContact O-NH2 2.95Å; S45-R128 VanDerWaalsContact O-NH2 3.12Å; D48-R128 WeakPolarHBondContact OD2-CD 3.46Å; D48-R128 IonicContact OD2-CZ 3.64Å; D48-R128 IonicContact OD2-NE 3.75Å; D48-R128 IonicContact OD2-NH1 2.74Å; D48-R128 PolarHBondContact OD2-NH1 3.41Å; L87-R128 HydrophobicContact CD1-CG 4.3Å; L87-R128 HydrophobicContact CD2-CG 4.09Å; L87-R128 HydrophobicContact CG-CG 4.09Å; G110-R128 CarbonylContact C-O 3.56Å; G110-R128 WeakPolarHBondContact CA-O 3.49Å; E111-R128 PolarHBondContact N-O 3.49Å; E111-R128 VanDerWaalsContact N-O 3.11Å; E111-R128 PolarHBondContact O-N 3.01Å
129K94.8Very high83.3Confident1 Ų163 Ų630%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-103143.8173.8-71.5105.7-77.1-179.80108.3L87 V88 S90 A92 I95 Y127L87-K129 CarbonylContact C-O 3.53Å; L87-K129 VanDerWaalsContact CA-O 3.25Å; L87-K129 WeakPolarHBondContact CA-O 3.42Å; V88-K129 HydrophobicContact CB-CB 4.41Å; V88-K129 PolarHBondContact N-O 2.87Å; V88-K129 WeakPolarHBondContact O-CE 3.47Å; V88-K129 PolarHBondContact O-N 3.25Å; V88-K129 PolarHBondContact O-NZ 3.35Å; S90-K129 PolarHBondContact O-NZ 3.08Å; S90-K129 PolarHBondContact OG-NZ 3.32Å; A92-K129 WeakPolarHBondContact O-CE 3.45Å; A92-K129 PolarHBondContact O-NZ 2.86Å; I95-K129 HydrophobicContact CD1-CB 3.83Å; I95-K129 HydrophobicContact CD1-CG 4.25Å; I95-K129 HydrophobicContact CG1-CB 4.17Å; I95-K129 HydrophobicContact CG1-CD 4.5Å; I95-K129 HydrophobicContact CG1-CG 4.07Å; I95-K129 HydrophobicContact CG2-CD 3.74Å; I95-K129 HydrophobicContact CG2-CG 4.26Å; Y127-K129 VanDerWaalsContact C-CE 3.45Å; Y127-K129 WeakPolarHBondContact O-CE 3.43Å; Y127-K129 PolarHBondContact O-NZ 3.18Å
130H93.8Very high85.1Confident64 Ų6456.6 Ų56.630%0.29632%0.319SS..EExtended strand (participates in β ladder)trans-131.3136.5167.2-174.9-138.7000108.8L86 S108L86-H130 CarbonylContact O-C 3.56Å; L86-H130 WeakPolarHBondContact O-CA 3.44Å; L86-H130 PolarHBondContact O-CD2 2.9Å; S108-H130 WeakPolarHBondContact CB-O 3.35Å; S108-H130 PolarHBondContact OG-N 3.29Å; S108-H130 PolarHBondContact OG-O 3.02Å
131L94.1Very high86.9Confident23 Ų2357.9 Ų57.912%0.1232%0.319CS..EExtended strand (participates in β ladder)trans-142.3131.4175.9-174.967.5000109S85 L86 V97 L133S85-L131 CarbonylContact C-O 3.59Å; S85-L131 VanDerWaalsContact CA-O 3.29Å; S85-L131 WeakPolarHBondContact CA-O 3.34Å; L86-L131 PolarHBondContact N-O 3.27Å; L86-L131 PolarHBondContact O-N 3.17Å; V97-L131 HydrophobicContact CB-CD2 3.79Å; V97-L131 HydrophobicContact CG2-CD2 3.55Å; L131-L133 HydrophobicContact CD2-CD2 3.94Å; L131-L133 HydrophobicContact CG-CD2 4.29Å
132I93.1Very high88.8Confident119 Ų11952.7 Ų52.761%0.6128%0.277SS*.EExtended strand (participates in β ladder)trans-96.6134.4166.6-57.7175000106.7
133L89.9Confident90.4Very high7 Ų746.3 Ų46.34%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-87127.9179.5-53.1-178.1000109I83 T84 L86 V97 C105 L131 S135I83-L133 HydrophobicContact CB-CD1 4.44Å; I83-L133 HydrophobicContact CG2-CD1 3.97Å; T84-L133 PolarHBondContact O-N 3.38Å; L86-L133 HydrophobicContact CD1-CD2 4.41Å; V97-L133 HydrophobicContact CG1-CD2 3.99Å; C105-L133 HydrophobicContact CB-CD2 4.11Å; L131-L133 HydrophobicContact CD2-CD2 3.94Å; L131-L133 HydrophobicContact CG-CD2 4.29Å; L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 2.85Å
134E85.1Confident91.5Very high196 Ų19643.1 Ų43.192%0.91623%0.234SC*.EExtended strand (participates in β ladder)trans-62.1-36.5177-176.4178.8176.900111.9
135S84.9Confident92.4Very high83 Ų8344.5 Ų44.558%0.5824%0.237SC*.EExtended strand (participates in β ladder)trans-113.8115.3172.5-176.50000109.6L133 A137L133-S135 VanDerWaalsContact C-N 3.26Å; L133-S135 PolarHBondContact O-N 2.85Å; S135-A137 PolarHBondContact O-N 3.38Å
136P89.6Confident92.5Very high48 Ų4845.7 Ų45.731%0.31225%0.246SC..EExtended strand (participates in β ladder)trans-63.4131.1173.1-24.835.8000111.9L82 I83 T84L82-P136 HydrophobicContact CB-CB 3.75Å; L82-P136 HydrophobicContact CD1-CB 3.97Å; I83-P136 CarbonylContact O-C 3.53Å; I83-P136 VanDerWaalsContact O-CA 3.24Å; I83-P136 WeakPolarHBondContact O-CA 3.48Å; T84-P136 HydrophobicContact CG2-CB 4.06Å; T84-P136 HydrophobicContact CG2-CG 4.11Å
137A90.5Very high92.4Very high16 Ų1646.3 Ų46.313%0.13225%0.25CC..EExtended strand (participates in β ladder)trans-126.4142.2-169.100000113I83 S135 S139I83-A137 WeakPolarHBondContact CB-O 3.37Å; I83-A137 PolarHBondContact N-O 2.89Å; I83-A137 PolarHBondContact O-N 3.22Å; S135-A137 PolarHBondContact O-N 3.38Å; A137-S139 WeakPolarHBondContact CB-O 3.48Å; A137-S139 PolarHBondContact O-N 3.32Å
138A90.6Very high91.9Very high50 Ų5048.5 Ų48.541%0.41328%0.281SS..SBendtrans-72.6-17.9173.300000113C75 L82C75-A138 WeakPolarHBondContact CB-O 3.4Å; C75-A138 PolarHBondContact N-O 3.38Å; L82-A138 HydrophobicContact CD2-CB 3.99Å
139S93.5Very high91.5Very high8 Ų849.7 Ų49.76%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-154.5146.3173.41770000110.6L73 C74 A137L73-S139 CarbonylContact O-C 3.51Å; L73-S139 WeakPolarHBondContact O-CA 3.44Å; L73-S139 VanDerWaalsContact O-CB 3.32Å; L73-S139 WeakPolarHBondContact O-CB 3.41Å; L73-S139 PolarHBondContact O-OG 3.27Å; C74-S139 PolarHBondContact SG-OG 3.32Å; A137-S139 WeakPolarHBondContact CB-O 3.48Å; A137-S139 PolarHBondContact O-N 3.32Å
140C94.9Very high91.1Very high0 Ų053.6 Ų53.60%033%0.328CS..EExtended strand (participates in β ladder)trans-148.8157.6177.561.80000111.3L73 V97 Y98L73-C140 PolarHBondContact N-O 3.47Å; L73-C140 PolarHBondContact O-N 2.91Å; V97-C140 HydrophobicContact CG1-CB 4.08Å; Y98-C140 CarbonylContact O-C 3.59Å; Y98-C140 WeakPolarHBondContact O-CA 3.27Å; Y98-C140 VanDerWaalsContact O-CB 3.24Å; Y98-C140 WeakPolarHBondContact O-CB 3.4Å
141E96.8Very high90.9Very high73 Ų7352.1 Ų52.134%0.34133%0.33SS..EExtended strand (participates in β ladder)trans-110.9125.2176.9-59.8-143127.800111.1V70 T72 V97 Y98V70-E141 HydrophobicContact CG1-CB 3.84Å; V70-E141 HydrophobicContact CG1-CG 4.41Å; T72-E141 HydrophobicContact CG2-CG 4.18Å; T72-E141 PolarHBondContact OG1-OE1 3.06Å; V97-E141 CarbonylContact C-O 3.42Å; V97-E141 VanDerWaalsContact CA-O 3.26Å; V97-E141 WeakPolarHBondContact CA-O 3.46Å; Y98-E141 PolarHBondContact N-O 3.11Å; Y98-E141 PolarHBondContact O-N 3.29Å
142V97.5Very high90.8Very high2 Ų252.5 Ų52.51%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-107.2107.3-179.3-174.50000109.8I71 L73 L86 V88 I95 V97 L144I71-V142 HydrophobicContact CB-CB 4.46Å; I71-V142 PolarHBondContact N-O 3.14Å; I71-V142 PolarHBondContact O-N 2.62Å; L73-V142 HydrophobicContact CD1-CG2 3.79Å; L86-V142 HydrophobicContact CD1-CG2 3.71Å; V88-V142 HydrophobicContact CG2-CG1 4.35Å; I95-V142 HydrophobicContact CB-CG1 4.16Å; I95-V142 HydrophobicContact CD1-CG1 4.19Å; I95-V142 HydrophobicContact CG2-CG1 4.13Å; V97-V142 HydrophobicContact CG1-CG2 4.46Å; V97-V142 HydrophobicContact CG2-CG1 4.36Å; V97-V142 HydrophobicContact CG2-CG2 4.24Å; V142-L144 HydrophobicContact CG1-CD2 4.34Å
143K97.1Very high90.7Very high54 Ų5446.8 Ų46.824%0.23531%0.305CS..EExtended strand (participates in β ladder)trans-96115.8-176.4-179.2179.3168-1510110.4P68 V70 I95 E96 Y98 L145P68-K143 HydrophobicContact CB-CG 4.48Å; V70-K143 HydrophobicContact CG2-CB 4.22Å; V70-K143 HydrophobicContact CG2-CG 4.18Å; I95-K143 VanDerWaalsContact CA-O 3.31Å; I95-K143 WeakPolarHBondContact CA-O 3.38Å; E96-K143 HydrophobicContact CB-CB 4.34Å; E96-K143 PolarHBondContact N-O 2.95Å; E96-K143 PolarHBondContact O-N 3.27Å; E96-K143 VanDerWaalsContact OE2-CD 3.31Å; E96-K143 WeakPolarHBondContact OE2-CD 3.31Å; E96-K143 VanDerWaalsContact OE2-CE 3.25Å; E96-K143 WeakPolarHBondContact OE2-CE 3.47Å; E96-K143 IonicContact OE2-NZ 2.67Å; E96-K143 PolarHBondContact OE2-NZ 3.02Å; Y98-K143 HydrophobicContact CE2-CB 4.36Å; Y98-K143 HydrophobicContact CE2-CD 3.93Å; K143-L145 HydrophobicContact CD-CD2 4.47Å; K143-L145 HydrophobicContact CG-CD2 4.12Å
144L96.3Very high90.8Very high4 Ų446.7 Ų46.72%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-82.6120.5-178.5-58.5-167.7000111.3C69 I71 V88 A92 I95 V142 L147 V153 V155C69-L144 HydrophobicContact CB-CB 4.15Å; C69-L144 PolarHBondContact O-N 3.08Å; I71-L144 HydrophobicContact CD1-CD1 4.22Å; I71-L144 HydrophobicContact CD1-CG 4.47Å; V88-L144 HydrophobicContact CG1-CD2 4.37Å; A92-L144 HydrophobicContact CB-CB 3.77Å; A92-L144 HydrophobicContact CB-CD1 4.41Å; A92-L144 HydrophobicContact CB-CD2 4.32Å; A92-L144 HydrophobicContact CB-CG 4.39Å; I95-L144 HydrophobicContact CG2-CD2 3.56Å; V142-L144 HydrophobicContact CG1-CD2 4.34Å; L144-L147 HydrophobicContact CB-CD2 4.35Å; L144-V153 HydrophobicContact CD1-CG1 4.08Å; L144-V153 HydrophobicContact CD1-CG2 4.21Å; L144-V155 HydrophobicContact CD1-CG2 3.79Å
145L94.1Very high91.1Very high47 Ų4737.3 Ų37.325%0.24626%0.261CS..EExtended strand (participates in β ladder)trans-113.7176.3-175.8-63.2-173.4000113.7A92 R93 T94 E96 K143 L147A92-L145 WeakPolarHBondContact CA-O 3.31Å; A92-L145 WeakPolarHBondContact CB-O 3.43Å; R93-L145 PolarHBondContact N-O 3.08Å; T94-L145 HydrophobicContact CG2-CD1 4.18Å; T94-L145 WeakPolarHBondContact O-CB 3.25Å; T94-L145 PolarHBondContact O-N 3.17Å; E96-L145 VanDerWaalsContact CD-CD1 3.49Å; E96-L145 HydrophobicContact CG-CD1 3.71Å; K143-L145 HydrophobicContact CD-CD2 4.47Å; K143-L145 HydrophobicContact CG-CD2 4.12Å; L145-L147 VanDerWaalsContact C-N 3.26Å; L145-L147 PolarHBondContact O-N 3.01Å
146S90.1Very high91.4Very high64 Ų6433.9 Ų33.945%0.44824%0.237SC..  trans59.133.8178.9-57.70000113.7G148S146-G148 PolarHBondContact O-N 2.67Å
147L87.8Confident91.4Very high22 Ų2232.7 Ų32.712%0.11523%0.227CC..  trans-68.9-14.8-177.9-53.5-175.1000113.5W20 C69 A92 L144 L145 R150 V153W20-L147 HydrophobicContact CH2-CD1 3.42Å; W20-L147 VanDerWaalsContact CH2-CD1 3.42Å; W20-L147 HydrophobicContact CZ2-CD1 4.08Å; W20-L147 HydrophobicContact CZ3-CD1 3.95Å; C69-L147 HydrophobicContact CB-CD1 3.99Å; A92-L147 HydrophobicContact CB-CD2 3.75Å; L144-L147 HydrophobicContact CB-CD2 4.35Å; L145-L147 VanDerWaalsContact C-N 3.26Å; L145-L147 PolarHBondContact O-N 3.01Å; L147-R150 WeakPolarHBondContact O-CB 3.11Å; L147-R150 WeakPolarHBondContact O-CG 3.36Å; L147-R150 PolarHBondContact O-N 3.35Å; L147-R150 PolarHBondContact O-NE 3.39Å; L147-V153 HydrophobicContact CD2-CB 4.09Å; L147-V153 HydrophobicContact CD2-CG2 3.78Å
148G83.6Confident91.5Very high75 Ų7532 Ų3277%0.77322%0.221SC*.THydrogen-bonded Turntrans73.231.8175.700000114S146 R150S146-G148 PolarHBondContact O-N 2.67Å; G148-R150 PolarHBondContact O-N 2.8Å
149G82.6Confident91.5Very high87 Ų8729.8 Ų29.890%0.89720%0.202SC*.THydrogen-bonded Turntrans76.51.5-176.100000114.7
150R87.1Confident91.5Very high84 Ų8429.4 Ų29.432%0.31720%0.199SC..  trans-73.2126.9176.6-62.1-179.2-67.8165.36.2110.6E91 L147 G148 S152E91-R150 IonicContact OE1-CZ 3.53Å; E91-R150 IonicContact OE1-NH1 3.72Å; E91-R150 PolarHBondContact OE1-NH1 3.33Å; E91-R150 IonicContact OE1-NH2 2.66Å; E91-R150 IonicContact OE2-NH1 3.93Å; L147-R150 WeakPolarHBondContact O-CB 3.11Å; L147-R150 WeakPolarHBondContact O-CG 3.36Å; L147-R150 PolarHBondContact O-N 3.35Å; L147-R150 PolarHBondContact O-NE 3.39Å; G148-R150 PolarHBondContact O-N 2.8Å; R150-S152 PolarHBondContact O-N 3.04Å
151G89.1Confident91.3Very high33 Ų3329.4 Ų29.434%0.3420%0.199SC..SBendtrans-77.915.3169.800000114.2E61 Q62E61-G151 WeakPolarHBondContact CA-O 3.39Å; Q62-G151 WeakPolarHBondContact CB-O 3.39Å; Q62-G151 PolarHBondContact N-O 3.18Å
152S91.5Very high90.9Very high30 Ų3026.3 Ų26.321%0.2119%0.185CC..EExtended strand (participates in β ladder)trans-147.4150.1172.868.90000112.1L60 R123 R150L60-S152 CarbonylContact O-C 3.53Å; L60-S152 VanDerWaalsContact O-CA 3.22Å; L60-S152 WeakPolarHBondContact O-CA 3.23Å; R123-S152 PolarHBondContact NH2-OG 3.38Å; R123-S152 VanDerWaalsContact NH2-OG 3.09Å; R150-S152 PolarHBondContact O-N 3.04Å
153V92.3Very high90.5Very high0 Ų030.7 Ų30.70%021%0.206CC..EExtended strand (participates in β ladder)trans-147.5137.9-177.563.20000110.4W20 L60 C69 E91 A92 L144 L147W20-V153 HydrophobicContact CE3-CG1 3.98Å; W20-V153 HydrophobicContact CZ3-CB 4.4Å; W20-V153 HydrophobicContact CZ3-CG1 3.9Å; L60-V153 HydrophobicContact CB-CG1 4.01Å; L60-V153 HydrophobicContact CD1-CG1 4.46Å; L60-V153 PolarHBondContact N-O 3.37Å; L60-V153 PolarHBondContact O-N 2.96Å; C69-V153 HydrophobicContact CB-CG1 4.44Å; C69-V153 VanDerWaalsContact SG-CG1 3.6Å; E91-V153 HydrophobicContact CB-CG2 4.25Å; A92-V153 HydrophobicContact CB-CG2 4.44Å; L144-V153 HydrophobicContact CD1-CG1 4.08Å; L144-V153 HydrophobicContact CD1-CG2 4.21Å; L147-V153 HydrophobicContact CD2-CB 4.09Å; L147-V153 HydrophobicContact CD2-CG2 3.78Å
154A91.8Very high89.8Confident4 Ų430.7 Ų30.73%0.03321%0.21CC..EExtended strand (participates in β ladder)trans-93139171.700000111.8P57 V58 S90 E91 F126P57-A154 HydrophobicContact CB-CB 4.05Å; V58-A154 WeakPolarHBondContact O-CA 3.32Å; S90-A154 VanDerWaalsContact CA-O 3.32Å; S90-A154 WeakPolarHBondContact CA-O 3.27Å; S90-A154 VanDerWaalsContact CB-O 3.31Å; S90-A154 WeakPolarHBondContact CB-O 3.33Å; E91-A154 HydrophobicContact CG-CB 4.21Å; E91-A154 PolarHBondContact N-O 3Å; E91-A154 VanDerWaalsContact N-O 3.14Å; E91-A154 PolarHBondContact OE2-N 3.04Å; F126-A154 HydrophobicContact CE1-CB 3.8Å; F126-A154 HydrophobicContact CZ-CB 3.65Å
155V92.1Very high88.6Confident0 Ų033.1 Ų33.10%022%0.223CC..EExtended strand (participates in β ladder)trans-123.8120.5172.5-167.40000107.5I32 P57 V58 L60 I71 L144 V158I32-V155 HydrophobicContact CD1-CB 3.68Å; I32-V155 HydrophobicContact CD1-CG1 3.52Å; I32-V155 WeakPolarHBondContact CD1-O 3.3Å; P57-V155 CarbonylContact C-O 3.59Å; P57-V155 WeakPolarHBondContact CA-O 3.31Å; V58-V155 PolarHBondContact N-O 3.02Å; V58-V155 PolarHBondContact O-N 3.15Å; L60-V155 HydrophobicContact CD1-CG2 3.83Å; L60-V155 HydrophobicContact CG-CG2 4.39Å; I71-V155 HydrophobicContact CD1-CG1 4.45Å; I71-V155 HydrophobicContact CD1-CG2 4.21Å; L144-V155 HydrophobicContact CD1-CG2 3.79Å; V155-V158 HydrophobicContact CG1-CG2 3.82Å
156A89.5Confident87.1Confident10 Ų1034 Ų348%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-94.7-33.4-177.900000112.7I32 P57 T89 F126I32-A156 WeakPolarHBondContact CG2-O 3.25Å; P57-A156 HydrophobicContact CB-CB 4.29Å; T89-A156 HydrophobicContact CG2-CB 4.22Å; T89-A156 PolarHBondContact O-N 3.07Å; F126-A156 HydrophobicContact CD1-CB 3.92Å; F126-A156 HydrophobicContact CE1-CB 3.72Å; F126-A156 HydrophobicContact CZ-CB 4.39Å
157R89.6Confident85.3Confident23 Ų2336.8 Ų36.89%0.08725%0.247CC..EExtended strand (participates in β ladder)trans-155.5140.5-176.9-150-169.9-67-78.713111.5L34 D48 T51 P52 T89 V159L34-R157 HydrophobicContact CD1-CG 3.71Å; D48-R157 WeakPolarHBondContact OD1-CD 3.48Å; D48-R157 IonicContact OD1-CZ 2.69Å; D48-R157 IonicContact OD1-NE 3.62Å; D48-R157 PolarHBondContact OD1-NE 3.37Å; T51-R157 PolarHBondContact O-NH2 2.97Å; P52-R157 PolarHBondContact O-NH2 3.32Å; T89-R157 PolarHBondContact N-O 3.29Å; T89-R157 PolarHBondContact O-N 3.38Å; R157-V159 HydrophobicContact CG-CG2 3.8Å
158V93.2Very high83.4Confident2 Ų240.9 Ų40.91%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-130.299.4165.9-178.60000107.7I32 L33 L34 L73 L87 V88 V155 M160I32-V158 HydrophobicContact CD1-CG2 4.43Å; I32-V158 PolarHBondContact O-N 2.81Å; L33-V158 HydrophobicContact CD2-CB 3.91Å; L33-V158 HydrophobicContact CD2-CG1 4.17Å; L33-V158 HydrophobicContact CD2-CG2 4.45Å; L34-V158 PolarHBondContact N-O 3.25Å; L73-V158 HydrophobicContact CD1-CG1 4.09Å; L73-V158 HydrophobicContact CD2-CG1 4.48Å; L87-V158 CarbonylContact O-C 3.54Å; L87-V158 WeakPolarHBondContact O-CA 3.37Å; V88-V158 HydrophobicContact CG1-CG2 4.46Å; V88-V158 HydrophobicContact CG2-CG1 4.42Å; V155-V158 HydrophobicContact CG1-CG2 3.82Å; V158-M160 HydrophobicContact CG1-CG 4.16Å; V158-M160 HydrophobicContact CG1-SD 4.45Å
159V91.6Very high81.6Confident3 Ų340.2 Ų40.22%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-93.5135.7176.3-164.40000108.8L34 V36 I44 L87 R157L34-V159 HydrophobicContact CB-CG1 4.31Å; L34-V159 HydrophobicContact CB-CG2 4.28Å; L34-V159 VanDerWaalsContact O-CA 3.31Å; L34-V159 WeakPolarHBondContact O-CA 2.99Å; L34-V159 WeakPolarHBondContact O-CG1 3.34Å; V36-V159 HydrophobicContact CB-CG1 4.43Å; V36-V159 HydrophobicContact CG2-CG1 3.54Å; I44-V159 HydrophobicContact CG2-CB 4.08Å; I44-V159 HydrophobicContact CG2-CG1 3.72Å; L87-V159 HydrophobicContact CB-CB 4.21Å; L87-V159 HydrophobicContact CD2-CB 4.42Å; L87-V159 HydrophobicContact CD2-CG2 3.94Å; L87-V159 PolarHBondContact N-O 3.49Å; L87-V159 PolarHBondContact O-N 3.48Å; R157-V159 HydrophobicContact CG-CG2 3.8Å
160M92Very high79.7Confident0 Ų039.9 Ų39.90%023%0.234CC..EExtended strand (participates in β ladder)trans-127.4117.1-173.1-60.2165.8-72.100109.3V14 L33 L34 P35 V36 L73 L86 V158 L162V14-M160 HydrophobicContact CB-CE 3.89Å; V14-M160 HydrophobicContact CB-SD 4.14Å; V14-M160 HydrophobicContact CG1-CE 3.93Å; V14-M160 HydrophobicContact CG1-SD 3.58Å; V14-M160 VanDerWaalsContact CG1-SD 3.58Å; V14-M160 HydrophobicContact CG2-CE 4.33Å; V14-M160 HydrophobicContact CG2-SD 4.4Å; L33-M160 HydrophobicContact CB-CE 3.81Å; L33-M160 HydrophobicContact CD2-CE 4.28Å; L33-M160 HydrophobicContact CG-CE 4.42Å; L34-M160 PolarHBondContact O-N 3.44Å; P35-M160 HydrophobicContact CB-CE 4.41Å; V36-M160 PolarHBondContact N-O 3.32Å; L73-M160 HydrophobicContact CB-SD 4.48Å; L73-M160 HydrophobicContact CD1-CG 4.29Å; L73-M160 HydrophobicContact CD1-SD 3.88Å; L73-M160 HydrophobicContact CD2-SD 3.98Å; L73-M160 HydrophobicContact CG-SD 4.33Å; L86-M160 HydrophobicContact CD2-CB 4.36Å; L86-M160 HydrophobicContact CD2-CG 3.78Å; V158-M160 HydrophobicContact CG1-CG 4.16Å; V158-M160 HydrophobicContact CG1-SD 4.45Å; M160-L162 PolarHBondContact O-N 3.5Å
161G90.8Very high77.4Confident0 Ų040.2 Ų40.20%025%0.25CC..EExtended strand (participates in β ladder)trans-73.5121.6171.900000110I44 I83 T84 S85I44-G161 VanDerWaalsContact CD1-CA 3.4Å; I83-G161 CarbonylContact C-O 3.53Å; I83-G161 WeakPolarHBondContact CA-O 3.29Å; T84-G161 PolarHBondContact N-O 3.08Å; T84-G161 PolarHBondContact OG1-O 3.23Å; S85-G161 PolarHBondContact O-N 3.05Å
162L89.8Confident75.3Confident8 Ų844.9 Ų44.94%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-112.7125.3-179.8-62.4-174000110.8P13 V14 P35 V36 S38 A81 L82 I83 M160P13-L162 HydrophobicContact CB-CD1 4.35Å; P13-L162 HydrophobicContact CG-CD1 4.19Å; V14-L162 HydrophobicContact CG2-CD1 3.84Å; V14-L162 HydrophobicContact CG2-CD2 3.83Å; V14-L162 HydrophobicContact CG2-CG 4.39Å; P35-L162 HydrophobicContact CB-CD1 3.57Å; P35-L162 HydrophobicContact CB-CG 4.28Å; V36-L162 PolarHBondContact O-N 3.17Å; S38-L162 PolarHBondContact N-O 2.92Å; A81-L162 HydrophobicContact CB-CB 4.36Å; A81-L162 HydrophobicContact CB-CD1 4.27Å; A81-L162 HydrophobicContact CB-CD2 4.5Å; L82-L162 WeakPolarHBondContact O-CA 3.27Å; I83-L162 HydrophobicContact CB-CD2 4.49Å; I83-L162 HydrophobicContact CG1-CD2 3.88Å; M160-L162 PolarHBondContact O-N 3.5Å
163Q88Confident73Confident94 Ų9448.7 Ų48.744%0.43929%0.293SS..EExtended strand (participates in β ladder)trans-99.3119.4165.1-178.7174.38.100108.6A81 L82 T84A81-Q163 WeakPolarHBondContact CA-O 3.47Å; L82-Q163 PolarHBondContact N-O 2.95Å; L82-Q163 PolarHBondContact O-N 3.34Å; T84-Q163 HydrophobicContact CG2-CB 3.5Å
164T82.6Confident70.8Confident54 Ų5455.5 Ų55.533%0.33133%0.328SS..EExtended strand (participates in β ladder)trans-82.2122.7173.6-50.90000109.3Q37 P80Q37-T164 PolarHBondContact NE2-OG1 2.97Å; P80-T164 HydrophobicContact CG-CG2 4.16Å; P80-T164 CarbonylContact O-C 3.51Å; P80-T164 WeakPolarHBondContact O-CA 3.32Å
165L71.2Confident68.7Low56 Ų5657.7 Ų57.729%0.29335%0.351SS..PPolyproline II helixtrans-71.1124.9170.3-61.7173.7000108.9P80 L82 D169P80-L165 PolarHBondContact O-N 3.46Å; L82-L165 HydrophobicContact CD1-CD1 4.08Å; L82-L165 HydrophobicContact CD1-CD2 4.09Å; L82-L165 HydrophobicContact CD1-CG 4.27Å; L82-L165 HydrophobicContact CG-CD1 4.16Å; L82-L165 HydrophobicContact CG-CG 4.31Å; L165-D169 HydrophobicContact CD2-CB 4.21Å
166T62.7Low66.8Low66 Ų6664.2 Ų64.241%0.40539%0.394SS..PPolyproline II helixtrans-79.6159.7168.373.40000109.4V168 D169 C170T166-V168 PolarHBondContact O-N 3.21Å; T166-V168 PolarHBondContact OG1-N 3.2Å; T166-D169 WeakPolarHBondContact CA-OD2 3.48Å; T166-D169 VanDerWaalsContact CB-OD2 3.3Å; T166-D169 WeakPolarHBondContact CB-OD2 3.5Å; T166-D169 PolarHBondContact N-OD2 3.26Å; T166-D169 PolarHBondContact O-N 3.13Å; T166-D169 PolarHBondContact OG1-OD2 2.76Å; T166-C170 PolarHBondContact O-N 3.17Å; T166-C170 PolarHBondContact O-SG 3.12Å
167P53.3Low65.5Low122 Ų12267.5 Ų67.579%0.79242%0.416SS*.THydrogen-bonded Turntrans-59.3-14.4175.4-26.236.1000115
168V47.3Very low64.5Low107 Ų10771.6 Ų71.665%0.64844%0.438SS*.THydrogen-bonded Turntrans-76.7-43.2174.1-175.20000110.6T166 C170 S171T166-V168 PolarHBondContact O-N 3.21Å; T166-V168 PolarHBondContact OG1-N 3.2Å; V168-C170 PolarHBondContact O-N 2.76Å; V168-S171 WeakPolarHBondContact O-CB 3.43Å; V168-S171 PolarHBondContact O-N 3.28Å; V168-S171 VanDerWaalsContact O-N 3.14Å; V168-S171 PolarHBondContact O-OG 3.03Å
169D45.3Very low63.7Low62 Ų6275.6 Ų75.633%0.33246%0.46SS..G310 helixtrans-64.8-28.7-179.7-50.8-55.4000111.9L165 T166 S171 L172L165-D169 HydrophobicContact CD2-CB 4.21Å; T166-D169 WeakPolarHBondContact CA-OD2 3.48Å; T166-D169 VanDerWaalsContact CB-OD2 3.3Å; T166-D169 WeakPolarHBondContact CB-OD2 3.5Å; T166-D169 PolarHBondContact N-OD2 3.26Å; T166-D169 PolarHBondContact O-N 3.13Å; T166-D169 PolarHBondContact OG1-OD2 2.76Å; D169-S171 PolarHBondContact O-N 2.87Å; D169-L172 PolarHBondContact O-N 3.49Å
170C42.2Very low63.2Low80 Ų8076.3 Ų76.354%0.54146%0.463SS..G310 helixtrans-59.6-12.3174.6-63.10000114.4T166 V168T166-C170 PolarHBondContact O-N 3.17Å; T166-C170 PolarHBondContact O-SG 3.12Å; V168-C170 PolarHBondContact O-N 2.76Å
171S40.3Very low62.5Low91 Ų9182.4 Ų82.464%0.63650%0.495SS*.G310 helixtrans-79.9-14.3173.866.30000114.4V168 D169V168-S171 WeakPolarHBondContact O-CB 3.43Å; V168-S171 PolarHBondContact O-N 3.28Å; V168-S171 VanDerWaalsContact O-N 3.14Å; V168-S171 PolarHBondContact O-OG 3.03Å; D169-S171 PolarHBondContact O-N 2.87Å
172L44.4Very low62.1Low131 Ų13190.5 Ų90.569%0.68653%0.526SS*.SBendtrans-90.1-7.8-174.3-64.5171.2000114.1D169 L174D169-L172 PolarHBondContact O-N 3.49Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.46Å
173S42.8Very low61.6Low110 Ų11092.2 Ų92.277%0.76954%0.537SS*.  trans-84.861.2-178.2-1610000112.8
174L45.5Very low61.2Low142 Ų14292.1 Ų92.174%0.74354%0.536SS*.SBendtrans-124.850.7172.5-144.978.1000112.8L172 L216L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.46Å; L174-L216 HydrophobicContact CD2-CD1 4.04Å
175G48.9Very low61Low50 Ų5092.9 Ų92.952%0.51554%0.543SS..SBendtrans89178.917600000114.2S177G175-S177 PolarHBondContact O-N 2.83Å
176P52.3Low61.3Low138 Ų13894.3 Ų94.390%0.89655%0.55SS*.  trans-77.665.1-177.132.9-36.3000111.9I178P176-I178 PolarHBondContact O-N 3.07Å
177S61.4Low62.2Low79 Ų7993 Ų9355%0.55254%0.542SS*.  trans-75.1116.9166.854.80000109.9G175 D179G175-S177 PolarHBondContact O-N 2.83Å; S177-D179 PolarHBondContact O-N 3.19Å
178I69.7Low63.4Low108 Ų10894.5 Ų94.555%0.55454%0.538SS*.  trans-58.3118.2174.9-61.1168.5000109.1P176 M180 V183 Q209P176-I178 PolarHBondContact O-N 3.07Å; I178-M180 HydrophobicContact CB-SD 4.4Å; I178-M180 HydrophobicContact CG2-SD 3.97Å; I178-M180 PolarHBondContact O-N 2.8Å; I178-V183 HydrophobicContact CG2-CG2 3.82Å; I178-Q209 PolarHBondContact O-NE2 3.34Å
179D75.7Confident64.9Low87 Ų8797.2 Ų97.247%0.46554%0.543SS..  trans-68.9104.4175.4176.110.3000110.5S177 L181 R182 V183S177-D179 PolarHBondContact O-N 3.19Å; D179-L181 VanDerWaalsContact C-N 3.26Å; D179-L181 PolarHBondContact O-N 2.8Å; D179-L181 WeakPolarHBondContact OD1-CB 3.5Å; D179-L181 PolarHBondContact OD1-N 3.03Å; D179-R182 HydrophobicContact CB-CB 4.09Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 PolarHBondContact OD1-N 3.02Å; D179-R182 WeakPolarHBondContact OD2-CB 3.31Å; D179-R182 PolarHBondContact OD2-N 3.14Å; D179-V183 WeakPolarHBondContact O-CG2 3.44Å; D179-V183 PolarHBondContact O-N 3.44Å
180M80.4Confident66.2Low18 Ų18101.9 Ų101.99%0.08957%0.565CS.*Hα-helixtrans-70.6-19.8-178.4-58.4-56.5-63.400113.1I178 Q184 M202 V205 Q206 Q209I178-M180 HydrophobicContact CB-SD 4.4Å; I178-M180 HydrophobicContact CG2-SD 3.97Å; I178-M180 PolarHBondContact O-N 2.8Å; M180-Q184 WeakPolarHBondContact O-CB 3.32Å; M180-Q184 PolarHBondContact O-N 2.69Å; M180-M202 HydrophobicContact CE-CB 4.26Å; M180-M202 HydrophobicContact CE-CE 4.31Å; M180-M202 HydrophobicContact CE-CG 3.39Å; M180-V205 HydrophobicContact CE-CB 4.13Å; M180-V205 HydrophobicContact CE-CG1 4.12Å; M180-V205 HydrophobicContact CG-CG1 4.35Å; M180-V205 HydrophobicContact SD-CB 4.27Å; M180-V205 HydrophobicContact SD-CG1 3.59Å; M180-V205 VanDerWaalsContact SD-CG1 3.59Å; M180-Q206 HydrophobicContact CB-CG 3.76Å; M180-Q206 HydrophobicContact CE-CG 4.2Å; M180-Q206 HydrophobicContact CG-CG 3.78Å; M180-Q209 VanDerWaalsContact CG-OE1 3.26Å
181L78.1Confident67.3Low127 Ų127101.3 Ų101.367%0.66557%0.573SS**Hα-helixtrans-76.1-44.5174-61.8174.4000110.4D179 V183 Q184 S185D179-L181 VanDerWaalsContact C-N 3.26Å; D179-L181 PolarHBondContact O-N 2.8Å; D179-L181 WeakPolarHBondContact OD1-CB 3.5Å; D179-L181 PolarHBondContact OD1-N 3.03Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.38Å; L181-Q184 WeakPolarHBondContact O-CB 2.99Å; L181-Q184 PolarHBondContact O-N 3.49Å; L181-S185 PolarHBondContact O-N 3.06Å
182R82.1Confident68.6Low170 Ų17099.6 Ų99.664%0.64257%0.565SS**Hα-helixtrans-61-41.5171.7-176177.2178.6-178.2-0.1111.9D179 Q184 S185 M186D179-R182 HydrophobicContact CB-CB 4.09Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 PolarHBondContact OD1-N 3.02Å; D179-R182 WeakPolarHBondContact OD2-CB 3.31Å; D179-R182 PolarHBondContact OD2-N 3.14Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; R182-S185 PolarHBondContact O-N 2.84Å; R182-M186 HydrophobicContact CG-CE 4.15Å; R182-M186 HydrophobicContact CG-SD 4.43Å; R182-M186 WeakPolarHBondContact O-CG 3.46Å; R182-M186 PolarHBondContact O-N 2.91Å
183V79.8Confident70.1Confident45 Ų4599.1 Ų99.127%0.27357%0.572SS.*Hα-helixtrans-60.9-43.4173.1173.90000111.2I178 D179 L181 M186 V187 M202I178-V183 HydrophobicContact CG2-CG2 3.82Å; D179-V183 WeakPolarHBondContact O-CG2 3.44Å; D179-V183 PolarHBondContact O-N 3.44Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.38Å; V183-M186 HydrophobicContact CG2-CE 4.37Å; V183-M186 PolarHBondContact O-N 2.81Å; V183-V187 VanDerWaalsContact O-CG2 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.24Å; V183-V187 PolarHBondContact O-N 2.88Å; V183-M202 HydrophobicContact CB-CE 4.48Å; V183-M202 HydrophobicContact CG1-CE 4.09Å
184Q79.8Confident71.6Confident92 Ų9296.5 Ų96.543%0.4355%0.549SS..Hα-helixtrans-62.2-44176.8-168.6166.6-3.600112.2M180 L181 R182 M186 V187 E188 M202M180-Q184 WeakPolarHBondContact O-CB 3.32Å; M180-Q184 PolarHBondContact O-N 2.69Å; L181-Q184 WeakPolarHBondContact O-CB 2.99Å; L181-Q184 PolarHBondContact O-N 3.49Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-M186 PolarHBondContact O-N 3.41Å; Q184-V187 PolarHBondContact O-N 3.38Å; Q184-E188 WeakPolarHBondContact O-CB 3.17Å; Q184-E188 PolarHBondContact O-N 2.76Å; Q184-M202 HydrophobicContact CB-CE 3.66Å; Q184-M202 HydrophobicContact CG-CE 4.21Å
185S77.4Confident73.3Confident69 Ų6993.1 Ų93.148%0.48354%0.538SS..Hα-helixtrans-60.4-42.8176.7-169.30000112.4L181 R182 E188 E189L181-S185 PolarHBondContact O-N 3.06Å; R182-S185 PolarHBondContact O-N 2.84Å; S185-E188 PolarHBondContact O-N 3.01Å; S185-E189 VanDerWaalsContact O-CB 3.24Å; S185-E189 WeakPolarHBondContact O-CB 3.42Å; S185-E189 PolarHBondContact O-N 3.15Å
186M78.7Confident74.8Confident87 Ų8796.3 Ų96.343%0.42955%0.549SS..Hα-helixtrans-69.3-34.5178.8-67.5-178.7-57.700112.4R182 V183 Q184 M190R182-M186 HydrophobicContact CG-CE 4.15Å; R182-M186 HydrophobicContact CG-SD 4.43Å; R182-M186 WeakPolarHBondContact O-CG 3.46Å; R182-M186 PolarHBondContact O-N 2.91Å; V183-M186 HydrophobicContact CG2-CE 4.37Å; V183-M186 PolarHBondContact O-N 2.81Å; Q184-M186 PolarHBondContact O-N 3.41Å; M186-M190 WeakPolarHBondContact O-CB 3.48Å; M186-M190 WeakPolarHBondContact O-CG 3.43Å; M186-M190 PolarHBondContact O-N 2.87Å
187V80.9Confident76.3Confident39 Ų3991.9 Ų91.924%0.23653%0.528CS..Hα-helixtrans-65.5-42.6173.8164.30000111.4V183 Q184 G191 A192 L194V183-V187 VanDerWaalsContact O-CG2 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.24Å; V183-V187 PolarHBondContact O-N 2.88Å; Q184-V187 PolarHBondContact O-N 3.38Å; V187-G191 PolarHBondContact O-N 3.05Å; V187-A192 WeakPolarHBondContact CG1-O 3.31Å; V187-A192 PolarHBondContact O-N 3.34Å; V187-L194 HydrophobicContact CG1-CD1 4.21Å; V187-L194 HydrophobicContact CG1-CD2 4.02Å; V187-L194 HydrophobicContact CG1-CG 3.76Å; V187-L194 HydrophobicContact CG2-CD1 4.49Å; V187-L194 HydrophobicContact CG2-CD2 3.96Å; V187-L194 HydrophobicContact CG2-CG 4.41Å
188E79.4Confident77.3Confident152 Ų15289.8 Ų89.871%0.7152%0.516SS*.Hα-helixtrans-70.1-42.5178-171.6165.9-165.800112Q184 S185 M190 G191Q184-E188 WeakPolarHBondContact O-CB 3.17Å; Q184-E188 PolarHBondContact O-N 2.76Å; S185-E188 PolarHBondContact O-N 3.01Å; E188-M190 PolarHBondContact O-N 3.47Å; E188-G191 PolarHBondContact O-N 3.37Å
189E77.8Confident78Confident164 Ų16488.4 Ų88.477%0.76651%0.507SS*.Hα-helixtrans-62.9-37.6175.5-175.8177.1-172.600112.6S185 G191S185-E189 VanDerWaalsContact O-CB 3.24Å; S185-E189 WeakPolarHBondContact O-CB 3.42Å; S185-E189 PolarHBondContact O-N 3.15Å; E189-G191 PolarHBondContact O-N 3.18Å
190M72.1Confident78.4Confident160 Ų16087.9 Ų87.979%0.78851%0.51SS*.THydrogen-bonded Turntrans-72.3-8.1172.6-76.3-174.2154.900113.9M186 E188 A192M186-M190 WeakPolarHBondContact O-CB 3.48Å; M186-M190 WeakPolarHBondContact O-CG 3.43Å; M186-M190 PolarHBondContact O-N 2.87Å; E188-M190 PolarHBondContact O-N 3.47Å; M190-A192 HydrophobicContact CB-CB 4.35Å; M190-A192 PolarHBondContact O-N 2.87Å; M190-A192 VanDerWaalsContact O-N 3.11Å
191G65Low78.7Confident69 Ų6992.7 Ų92.771%0.71154%0.536SS*.THydrogen-bonded Turntrans6313.5-177.700000114.5V187 E188 E189V187-G191 PolarHBondContact O-N 3.05Å; E188-G191 PolarHBondContact O-N 3.37Å; E189-G191 PolarHBondContact O-N 3.18Å
192A68.6Low79Confident55 Ų5587.4 Ų87.446%0.45551%0.507SS..  trans-96108.8-17100000110.6V187 M190 L194V187-A192 WeakPolarHBondContact CG1-O 3.31Å; V187-A192 PolarHBondContact O-N 3.34Å; M190-A192 HydrophobicContact CB-CB 4.35Å; M190-A192 PolarHBondContact O-N 2.87Å; M190-A192 VanDerWaalsContact O-N 3.11Å; A192-L194 PolarHBondContact O-N 3.29Å
193S75.1Confident79.1Confident121 Ų12183.2 Ų83.285%0.84650%0.498SS*.PPolyproline II helixtrans-64.6124.4173.248.50000110.8
194L74.8Confident79.3Confident55 Ų5585.7 Ų85.729%0.28851%0.508SS..PPolyproline II helixtrans-61.8142.2176.7-67.7179.7000110.7V187 A192 A198 Q199 M202V187-L194 HydrophobicContact CG1-CD1 4.21Å; V187-L194 HydrophobicContact CG1-CD2 4.02Å; V187-L194 HydrophobicContact CG1-CG 3.76Å; V187-L194 HydrophobicContact CG2-CD1 4.49Å; V187-L194 HydrophobicContact CG2-CD2 3.96Å; V187-L194 HydrophobicContact CG2-CG 4.41Å; A192-L194 PolarHBondContact O-N 3.29Å; L194-A198 HydrophobicContact CB-CB 4.18Å; L194-A198 HydrophobicContact CD2-CB 4.26Å; L194-Q199 HydrophobicContact CB-CB 4.36Å; L194-M202 HydrophobicContact CD1-SD 3.64Å
195S80.8Confident79.5Confident71 Ų7183.9 Ų83.950%0.49750%0.503SS..PPolyproline II helixtrans-61.3151.8169.674.90000110.1G197 A198 Q199S195-G197 PolarHBondContact O-N 3.46Å; S195-G197 VanDerWaalsContact O-N 3.08Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 WeakPolarHBondContact OG-CB 3.26Å; S195-A198 PolarHBondContact OG-N 3.39Å; S195-Q199 PolarHBondContact O-N 3.33Å
196P81.7Confident79.8Confident117 Ų11783.7 Ų83.776%0.7649%0.494SS*.Hα-helixtrans-55.3-32.1-179.6-28.535.9000113.7S200P196-S200 WeakPolarHBondContact O-CB 3.48Å; P196-S200 PolarHBondContact O-N 3Å; P196-S200 VanDerWaalsContact O-N 3.08Å
197G83.6Confident79.9Confident44 Ų4485.6 Ų85.645%0.45450%0.5SS..Hα-helixtrans-68.3-45.6172.700000113S195 S200 L201S195-G197 PolarHBondContact O-N 3.46Å; S195-G197 VanDerWaalsContact O-N 3.08Å; G197-S200 PolarHBondContact O-N 2.87Å; G197-L201 WeakPolarHBondContact O-CG 3.43Å; G197-L201 PolarHBondContact O-N 3.4Å
198A82.6Confident79.8Confident35 Ų3588.5 Ų88.529%0.28951%0.511SS..Hα-helixtrans-64.2-40.6176.900000112L194 S195 S200 L201 M202L194-A198 HydrophobicContact CB-CB 4.18Å; L194-A198 HydrophobicContact CD2-CB 4.26Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 WeakPolarHBondContact OG-CB 3.26Å; S195-A198 PolarHBondContact OG-N 3.39Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-S200 PolarHBondContact O-N 3.04Å; A198-L201 PolarHBondContact O-N 3.38Å; A198-M202 WeakPolarHBondContact O-CB 3.49Å; A198-M202 PolarHBondContact O-N 3.48Å
199Q84Confident79.7Confident80 Ų8084.1 Ų84.137%0.37449%0.491SS..Hα-helixtrans-63.2-40.3174.3-167.866.268.100112L194 S195 M202 N203L194-Q199 HydrophobicContact CB-CB 4.36Å; S195-Q199 PolarHBondContact O-N 3.33Å; Q199-M202 WeakPolarHBondContact O-CB 3.47Å; Q199-M202 PolarHBondContact O-N 3.38Å; Q199-N203 PolarHBondContact NE2-OD1 3.38Å; Q199-N203 PolarHBondContact O-N 3.33Å; Q199-N203 PolarHBondContact O-OD1 2.86Å
200S83.8Confident79.6Confident75 Ų7582.9 Ų82.952%0.52448%0.483SS..Hα-helixtrans-64.7-42.1175.8-168.50000112.2P196 G197 A198 N203 M204P196-S200 WeakPolarHBondContact O-CB 3.48Å; P196-S200 PolarHBondContact O-N 3Å; P196-S200 VanDerWaalsContact O-N 3.08Å; G197-S200 PolarHBondContact O-N 2.87Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-S200 PolarHBondContact O-N 3.04Å; S200-N203 PolarHBondContact O-N 3.46Å; S200-M204 WeakPolarHBondContact O-CB 3.23Å; S200-M204 PolarHBondContact O-N 3.49Å
201L87.1Confident79.5Confident120 Ų12078.4 Ų78.463%0.62846%0.462SS*.Hα-helixtrans-63.9-41.3173.3-71.5170.4000112.1G197 A198 N203 M204 V205G197-L201 WeakPolarHBondContact O-CG 3.43Å; G197-L201 PolarHBondContact O-N 3.4Å; A198-L201 PolarHBondContact O-N 3.38Å; L201-N203 PolarHBondContact O-N 2.84Å; L201-M204 WeakPolarHBondContact O-CB 3.49Å; L201-M204 PolarHBondContact O-N 3.49Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.82Å
202M84.6Confident79.4Confident15 Ų1582.1 Ų82.17%0.07446%0.459CS..Hα-helixtrans-58.4-48.4175.9-165.6-177.5-168.600111.1M180 V183 Q184 L194 A198 Q199 M204 V205 Q206M180-M202 HydrophobicContact CE-CB 4.26Å; M180-M202 HydrophobicContact CE-CE 4.31Å; M180-M202 HydrophobicContact CE-CG 3.39Å; V183-M202 HydrophobicContact CB-CE 4.48Å; V183-M202 HydrophobicContact CG1-CE 4.09Å; Q184-M202 HydrophobicContact CB-CE 3.66Å; Q184-M202 HydrophobicContact CG-CE 4.21Å; L194-M202 HydrophobicContact CD1-SD 3.64Å; A198-M202 WeakPolarHBondContact O-CB 3.49Å; A198-M202 PolarHBondContact O-N 3.48Å; Q199-M202 WeakPolarHBondContact O-CB 3.47Å; Q199-M202 PolarHBondContact O-N 3.38Å; M202-M204 VanDerWaalsContact C-N 3.34Å; M202-M204 PolarHBondContact O-N 3.11Å; M202-V205 PolarHBondContact O-N 3.39Å; M202-Q206 WeakPolarHBondContact O-CG 3.35Å; M202-Q206 PolarHBondContact O-N 3Å
203N84.4Confident79Confident82 Ų8282.7 Ų82.744%0.43946%0.464SS..Hα-helixtrans-64.6-37.4177.3-62.6-2.1000111.8Q199 S200 L201 Q206 F207Q199-N203 PolarHBondContact NE2-OD1 3.38Å; Q199-N203 PolarHBondContact O-N 3.33Å; Q199-N203 PolarHBondContact O-OD1 2.86Å; S200-N203 PolarHBondContact O-N 3.46Å; L201-N203 PolarHBondContact O-N 2.84Å; N203-Q206 PolarHBondContact O-N 2.92Å; N203-F207 WeakPolarHBondContact O-CB 3.35Å; N203-F207 PolarHBondContact O-N 3.28Å
204M83.7Confident78Confident98 Ų9880.9 Ų80.948%0.48345%0.445SS..Hα-helixtrans-64.5-43.1175.8-178.262.36700112S200 L201 M202 F207 Q208S200-M204 WeakPolarHBondContact O-CB 3.23Å; S200-M204 PolarHBondContact O-N 3.49Å; L201-M204 WeakPolarHBondContact O-CB 3.49Å; L201-M204 PolarHBondContact O-N 3.49Å; M202-M204 VanDerWaalsContact C-N 3.34Å; M202-M204 PolarHBondContact O-N 3.11Å; M204-F207 PolarHBondContact O-N 2.87Å; M204-Q208 WeakPolarHBondContact O-CG 3.38Å; M204-Q208 PolarHBondContact O-N 3.27Å
205V83.1Confident76.8Confident53 Ų5381.7 Ų81.732%0.32146%0.455SS..Hα-helixtrans-65.6-44.5176.31740000110.8M180 L201 M202 F207 Q208 Q209M180-V205 HydrophobicContact CE-CB 4.13Å; M180-V205 HydrophobicContact CE-CG1 4.12Å; M180-V205 HydrophobicContact CG-CG1 4.35Å; M180-V205 HydrophobicContact SD-CB 4.27Å; M180-V205 HydrophobicContact SD-CG1 3.59Å; M180-V205 VanDerWaalsContact SD-CG1 3.59Å; L201-V205 WeakPolarHBondContact O-CG2 3.22Å; L201-V205 PolarHBondContact O-N 2.82Å; M202-V205 PolarHBondContact O-N 3.39Å; V205-F207 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 3.43Å; V205-Q208 PolarHBondContact O-N 3Å; V205-Q209 HydrophobicContact CG1-CG 4.32Å; V205-Q209 WeakPolarHBondContact O-CB 3.48Å; V205-Q209 WeakPolarHBondContact O-CG 3.24Å; V205-Q209 PolarHBondContact O-N 3.46Å
206Q83.5Confident75.4Confident66 Ų6683.2 Ų83.231%0.30846%0.457SS..Hα-helixtrans-57.1-45173.8-73.1175.1-2.300112M180 M202 N203 Q209 K210M180-Q206 HydrophobicContact CB-CG 3.76Å; M180-Q206 HydrophobicContact CE-CG 4.2Å; M180-Q206 HydrophobicContact CG-CG 3.78Å; M202-Q206 WeakPolarHBondContact O-CG 3.35Å; M202-Q206 PolarHBondContact O-N 3Å; N203-Q206 PolarHBondContact O-N 2.92Å; Q206-Q209 PolarHBondContact O-N 2.85Å; Q206-K210 WeakPolarHBondContact O-CB 3.46Å; Q206-K210 PolarHBondContact O-N 2.66Å
207F81.2Confident73.8Confident127 Ų12781.6 Ų81.656%0.55745%0.448SS*.Hα-helixtrans-64.6-41.5177.8-172.4-114.9000112.2N203 M204 V205 N211N203-F207 WeakPolarHBondContact O-CB 3.35Å; N203-F207 PolarHBondContact O-N 3.28Å; M204-F207 PolarHBondContact O-N 2.87Å; V205-F207 VanDerWaalsContact C-N 3.34Å; V205-F207 PolarHBondContact O-N 3.43Å; F207-N211 WeakPolarHBondContact CD1-ND2 3.36Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.28Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.34Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.33Å; F207-N211 WeakPolarHBondContact O-CB 3.33Å; F207-N211 PolarHBondContact O-N 3.23Å; F207-N211 PolarHBondContact O-ND2 2.85Å; F207-N211 VanDerWaalsContact O-ND2 3.14Å
208Q79.6Confident72.3Confident100 Ų10081.8 Ų81.847%0.46745%0.451SS..Hα-helixtrans-66.7-39175.4-73-1763100113.1M204 V205 K212M204-Q208 WeakPolarHBondContact O-CG 3.38Å; M204-Q208 PolarHBondContact O-N 3.27Å; V205-Q208 PolarHBondContact O-N 3Å; Q208-K212 WeakPolarHBondContact O-CB 3.49Å; Q208-K212 VanDerWaalsContact O-CG 3.27Å; Q208-K212 WeakPolarHBondContact O-CG 3.32Å; Q208-K212 PolarHBondContact O-N 2.76Å
209Q76.4Confident70.7Confident59 Ų5987.1 Ų87.128%0.27647%0.467SS..Hα-helixtrans-65-48.8175.6-74.3178-500111.2I178 M180 V205 Q206 N211 K212 A213I178-Q209 PolarHBondContact O-NE2 3.34Å; M180-Q209 VanDerWaalsContact CG-OE1 3.26Å; V205-Q209 HydrophobicContact CG1-CG 4.32Å; V205-Q209 WeakPolarHBondContact O-CB 3.48Å; V205-Q209 WeakPolarHBondContact O-CG 3.24Å; V205-Q209 PolarHBondContact O-N 3.46Å; Q206-Q209 PolarHBondContact O-N 2.85Å; Q209-N211 PolarHBondContact O-N 3.34Å; Q209-K212 PolarHBondContact O-N 3.36Å; Q209-A213 PolarHBondContact O-N 2.85Å
210K76.8Confident69.1Low139 Ų13988.8 Ų88.860%0.60448%0.478SS*.Hα-helixtrans-57.4-51.3177.8-177.7167.3-177.6170.80111.8Q206 K212 A213 D214Q206-K210 WeakPolarHBondContact O-CB 3.46Å; Q206-K210 PolarHBondContact O-N 2.66Å; K210-K212 VanDerWaalsContact C-N 3.27Å; K210-K212 PolarHBondContact O-N 2.99Å; K210-A213 PolarHBondContact O-N 2.87Å; K210-A213 VanDerWaalsContact O-N 3.14Å; K210-D214 PolarHBondContact O-N 2.86Å
211N69.2Low67.5Low66 Ų6689.3 Ų89.335%0.35348%0.48SS..Hα-helixtrans-65.7-27.9179.5-65-23.8000112.9F207 Q209 S215F207-N211 WeakPolarHBondContact CD1-ND2 3.36Å; F207-N211 WeakPolarHBondContact CE1-ND2 3.28Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.34Å; F207-N211 WeakPolarHBondContact CZ-ND2 3.33Å; F207-N211 WeakPolarHBondContact O-CB 3.33Å; F207-N211 PolarHBondContact O-N 3.23Å; F207-N211 PolarHBondContact O-ND2 2.85Å; F207-N211 VanDerWaalsContact O-ND2 3.14Å; Q209-N211 PolarHBondContact O-N 3.34Å; N211-S215 WeakPolarHBondContact O-CB 3.42Å; N211-S215 PolarHBondContact O-N 3Å
212K63.2Low65.5Low146 Ų14689.3 Ų89.364%0.63548%0.48SS*.Hα-helixtrans-69.9-38.6172.7-82.7175.9176.6178.50112.5Q208 Q209 K210Q208-K212 WeakPolarHBondContact O-CB 3.49Å; Q208-K212 VanDerWaalsContact O-CG 3.27Å; Q208-K212 WeakPolarHBondContact O-CG 3.32Å; Q208-K212 PolarHBondContact O-N 2.76Å; Q209-K212 PolarHBondContact O-N 3.36Å; K210-K212 VanDerWaalsContact C-N 3.27Å; K210-K212 PolarHBondContact O-N 2.99Å
213A59.3Low63.8Low68 Ų6895.8 Ų95.856%0.56251%0.514SS*.Hα-helixtrans-65.5-50.117300000111Q209 K210 S215 L216Q209-A213 PolarHBondContact O-N 2.85Å; K210-A213 PolarHBondContact O-N 2.87Å; K210-A213 VanDerWaalsContact O-N 3.14Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-S215 PolarHBondContact O-N 3.48Å; A213-L216 PolarHBondContact O-N 2.84Å
214D54.5Low62Low83 Ų8398.1 Ų98.144%0.44453%0.531SS..Hα-helixtrans-62.4-38.1-179.2-69-30.9000112K210 L216 S217K210-D214 PolarHBondContact O-N 2.86Å; D214-L216 VanDerWaalsContact C-N 3.27Å; D214-L216 PolarHBondContact O-N 2.84Å; D214-S217 WeakPolarHBondContact O-CB 3.29Å; D214-S217 PolarHBondContact O-N 2.85Å; D214-S217 PolarHBondContact O-OG 2.88Å
215S49.9Very low60.2Low72 Ų7298.2 Ų98.250%0.50354%0.541SS..Hα-helixtrans-62.7-26.2179.6-1730000114.3N211 A213N211-S215 WeakPolarHBondContact O-CB 3.42Å; N211-S215 PolarHBondContact O-N 3Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-S215 PolarHBondContact O-N 3.48Å
216L52Low58.5Low102 Ų102100.6 Ų100.653%0.53456%0.56SS.*Hα-helixtrans-80.5-22.2174.2-69.8177.9000113.1L174 A213 D214 L220L174-L216 HydrophobicContact CD2-CD1 4.04Å; A213-L216 PolarHBondContact O-N 2.84Å; D214-L216 VanDerWaalsContact C-N 3.27Å; D214-L216 PolarHBondContact O-N 2.84Å; L216-L220 WeakPolarHBondContact O-CD1 3.39Å; L216-L220 WeakPolarHBondContact O-CG 3.44Å
217S47.9Very low57Low83 Ų83101.5 Ų101.558%0.5859%0.587SS**Hα-helixtrans-71.1-32.5176.376.90000113.1D214 P221D214-S217 WeakPolarHBondContact O-CB 3.29Å; D214-S217 PolarHBondContact O-N 2.85Å; D214-S217 PolarHBondContact O-OG 2.88Å; S217-P221 WeakPolarHBondContact O-CD 3.29Å
218G50.6Low55.2Low49 Ų4999.3 Ų99.351%0.50559%0.592SS.*Hα-helixtrans-78.2-24.8-170.400000116.1
219F50.1Low53.4Low146 Ų146102.4 Ų102.464%0.6461%0.611SS**Hα-helixtrans-107.9-19.9-172-75.9-78.7000115.2P221 L222F219-P221 VanDerWaalsContact C-N 3.35Å; F219-L222 HydrophobicContact CD1-CD1 4.42Å; F219-L222 PolarHBondContact O-N 3.14Å
220L50.4Low51.6Low115 Ų115106 Ų10660%0.60264%0.643SS**Hα-helixtrans-61.1-29.4175.1-67.9175.9000114.9L216 L222L216-L220 WeakPolarHBondContact O-CD1 3.39Å; L216-L220 WeakPolarHBondContact O-CG 3.44Å; L220-L222 PolarHBondContact O-N 2.8Å
221P49.4Very low49.7Very low86 Ų86103.2 Ų103.256%0.55865%0.646SS**Hα-helixtrans-61.5-24.3174.5-26.636.5000115.1S217 F219S217-P221 WeakPolarHBondContact O-CD 3.29Å; F219-P221 VanDerWaalsContact C-N 3.35Å
222L45.3Very low48.1Very low120 Ų120108.5 Ų108.563%0.62867%0.673SS**Hα-helixtrans-84.8-33.2-174.6-66.3176.1000113.2F219 L220 V224 S225F219-L222 HydrophobicContact CD1-CD1 4.42Å; F219-L222 PolarHBondContact O-N 3.14Å; L220-L222 PolarHBondContact O-N 2.8Å; L222-V224 VanDerWaalsContact C-N 3.31Å; L222-V224 PolarHBondContact O-N 2.89Å; L222-S225 PolarHBondContact O-N 3.29Å
223L49.2Very low46.8Very low151 Ų151106.1 Ų106.179%0.79168%0.681SS**Hα-helixtrans-76.6-15179.4-81.1166.4000114
224V47.1Very low45.5Very low132 Ų132114.4 Ų114.480%0.870%0.697SS**THydrogen-bonded Turntrans-97.2-6176.8-167.40000112L222L222-V224 VanDerWaalsContact C-N 3.31Å; L222-V224 PolarHBondContact O-N 2.89Å
225S46.3Very low44.4Very low99 Ų99116.7 Ų116.769%0.69271%0.714SS**THydrogen-bonded Turntrans-96.5-19.6-177.3-166.50000114.1L222 G227L222-S225 PolarHBondContact O-N 3.29Å; S225-G227 PolarHBondContact O-N 3.42Å
226S45.9Very low43.5Very low104 Ų104118.7 Ų118.773%0.72772%0.724SS**  trans-90.884.4178.2-155.50000111.6A228S226-A228 PolarHBondContact O-N 3.03Å; S226-A228 VanDerWaalsContact O-N 3.08Å
227G51.9Low42.4Very low84 Ų84121.3 Ų121.387%0.86674%0.738SS**  trans-73.694.3-177.600000113.8S225S225-G227 PolarHBondContact O-N 3.42Å
228A45Very low41.4Very low81 Ų81120.7 Ų120.767%0.66975%0.745SS**  trans-143.1138.9168.900000112.5S226S226-A228 PolarHBondContact O-N 3.03Å; S226-A228 VanDerWaalsContact O-N 3.08Å
229L40.4Very low40.9Very low165 Ų165124.2 Ų124.286%0.86476%0.759SS**  trans66.951.6167.5-50.3-173.8000118.3A231L229-A231 PolarHBondContact O-N 2.99Å
230S38.7Very low39.8Very low136 Ų136122.7 Ų122.795%0.95177%0.766SS**  trans-69.871.4154.7-64.80000112.1
231A36.5Very low38.6Very low79 Ų79123.1 Ų123.165%0.65378%0.779SS**  trans-153.7128.3168.300000108.5L229L229-A231 PolarHBondContact O-N 2.99Å
232L37.2Very low37.6Very low177 Ų177123.5 Ų123.593%0.92779%0.789SS**  cis-133.4129.426-74.1144.7000112.2
233A34.8Very low37.6Very low96 Ų96123.7 Ų123.779%0.79380%0.798SS**  trans-150.981169.600000111.9
234R31.9Very low36.4Very low242 Ų242121.3 Ų121.391%0.91380%0.8SS**  trans-162.786.9163.2-114178.7-154.9113.54.6113.9
235V31.5Very low35.3Very low131 Ų131122 Ų12279%0.79480%0.799SS**  10.2111.7128.7-171.80000117.2
236T31.9Very low34.4Very low115 Ų115123.2 Ų123.271%0.70680%0.796SS**  168.2141120.732.40000114
237N29.1Very low33.4Very low156 Ų156126.9 Ų126.983%0.83480%0.802SS**  trans59.8140.4148.5-54.7-10.8000121.6
238G25.7Very low32.3Very low70 Ų70130.8 Ų130.872%0.72280%0.797SS**  trans-97.1-156.2166.700000112.7
239P40Very low31.7Very low124 Ų124133.1 Ų133.181%0.80581%0.806SS**  cis-136.817714.843.7-27.1000117.1
240S27Very low31.1Very low114 Ų114130.1 Ų130.180%0.79780%0.798SS**  trans48.9110.8147.4-163.60000121.9
241S26.7Very low30.5Very low123 Ų123130.3 Ų130.386%0.8679%0.793SS**  -171.9157.7126.846.50000112.2
242A27.2Very low30Very low95 Ų95133.6 Ų133.679%0.78580%0.8SS**  trans-140.5-176.7174.200000107.7
243P45.1Very low29.4Very low124 Ų124131.4 Ų131.481%0.80579%0.794SS**  cis-131.8179-6.242.3-27.2000114.2
244A25Very low28.8Very low100 Ų100131.6 Ų131.683%0.82679%0.79SS**  trans151.3161.6141.700000112.4
245D22.9Very low28.5Very low147 Ų147127.9 Ų127.979%0.78679%0.787SS**  cis-167.3172.5-45.2-159.2-2.6000108.6
246I27.7Very low28.4Very low124 Ų124129.7 Ų129.764%0.63679%0.787SS**  trans80.3109.6155.4-65.2174.3000120.2
247Q25.1Very low28.6Very low181 Ų181129.1 Ų129.185%0.84679%0.785SS**  trans83.1124.7140-76.1168.29.400124.9
248H29.3Very low28.3Very low166 Ų166128.1 Ų128.177%0.76978%0.78SS**  trans-75.3169.4147-66.9-112000111
249P32Very low28.4Very low130 Ų130132.5 Ų132.584%0.84478%0.781SS**  -141.1160.4100.838-26.3000115.4
250S28.6Very low27.8Very low102 Ų102133.2 Ų133.271%0.71378%0.776SS**  trans-97.5158172.1-52.80000112.1
251V25Very low27.9Very low140 Ų140132 Ų13285%0.84877%0.768SS**  trans-137.6131162-179.50000110.1
252N26.5Very low27.7Very low149 Ų149132.7 Ų132.780%0.79776%0.761SS**  trans-101.7157173.9-80.6-9.4000111.4
253T24.6Very low27.7Very low131 Ų131133 Ų13380%0.80476%0.758SS**  trans-170111.8146.3-720000105.6
254S22.5Very low26.8Very low99 Ų99132.2 Ų132.269%0.69276%0.762SS**  64.713972.7-137.60000112.3
255L25.4Very low27.2Very low164 Ų164132.8 Ų132.886%0.85976%0.76SS**  cis-144.3174.835.6-80.6158.1000114.2
256Q28.7Very low27.3Very low169 Ų169131.8 Ų131.879%0.7976%0.764SS**  trans-84.9-169.8174.6-85.8178.2-85.200112
257P36.8Very low27.3Very low103 Ų103133.4 Ų133.467%0.66977%0.774SS**  cis-148.9175.620.544.3-22.4000120.8
258D22.9Very low28.1Very low136 Ų136129.7 Ų129.773%0.72777%0.766SS**  trans34.1156.7136.1-45.5-23.3000121.5
259E27.3Very low27.8Very low161 Ų161133.2 Ų133.275%0.75277%0.773SS**  cis-160.2-174.94.4-137.8-172.4174.700107.8
260M28.3Very low28.1Very low139 Ų139132.6 Ų132.669%0.68577%0.769SS**  cis-163.6155.4-1.8-159.7-168.8-155.800109.5
261S27.8Very low28.1Very low90 Ų90136.9 Ų136.963%0.62978%0.777SS**  trans59.1157.5149.8-83.40000121.5
262D23.2Very low28.1Very low136 Ų136135.4 Ų135.473%0.72777%0.773SS**  cis-153.9-175.5-14.6-133.6-65.4000113.8
263S27Very low28.1Very low103 Ų103139.6 Ų139.672%0.7278%0.778SS**  trans-69.7173.3-166.4-52.50000119.7
264A25.6Very low28.2Very low107 Ų107138.6 Ų138.688%0.88478%0.783SS**  trans102.8163.2148.800000119.6
265S34.5Very low28.4Very low112 Ų112137.8 Ų137.878%0.78378%0.782SS**  trans-115150.3-155.5560000115.5
266S24.5Very low28.5Very low125 Ų125136.3 Ų136.387%0.87478%0.784SS**  trans-167.2134150.6-780000113.3
267D28.6Very low28.9Very low158 Ų158134.5 Ų134.585%0.84578%0.78SS**  trans-79.6-177.1155.2-72.6-60.2000110.3
268P41.7Very low28.9Very low103 Ų103135.7 Ų135.767%0.66979%0.785SS**  cis-130.2-171.8-6.330.4-8000113.5
269W22.1Very low29.8Very low241 Ų241137.9 Ų137.991%0.91379%0.791SS**  trans171.6167.8139.2-93.727.1000111.3
270P38Very low30.6Very low117 Ų117134 Ų13476%0.7678%0.778SS**  -126.8175-87.826.3-2.1000115.4
271Q28.7Very low31.4Very low192 Ų192129.7 Ų129.790%0.89777%0.77SS**  trans-92.5138.8177.5-67.9179.9-14.700114
272S24.5Very low32.4Very low109 Ų109131.8 Ų131.876%0.76277%0.773SS**  trans-162.9102.7146.2-166.50000109.1
273R27.2Very low33.9Very low237 Ų237127.8 Ų127.889%0.89476%0.759SS**  57.597.191.2-74.9-169.3174.9-167.6-1115.6
274A26.5Very low35Very low110 Ų110128 Ų12891%0.90975%0.752SS**  trans-137.9146.9139.200000107.1
275A27.8Very low36.3Very low82 Ų82129.8 Ų129.868%0.67874%0.744SS**  trans-131.3151.7-171.300000112.2
276C26.1Very low37.1Very low132 Ų132129.5 Ų129.589%0.89273%0.731SS**  trans-134.9108.7167.3-63.20000108.4
277D36.9Very low38.3Very low132 Ų132126.5 Ų126.571%0.70671%0.71SS**  trans-83141.4-175.9-63.2-71.3000112.7
278T38.3Very low39.5Very low127 Ų127123.6 Ų123.678%0.77970%0.7SS**  trans-163.1-11.5159.2-7.30000115.7
279H41.4Very low40Very low182 Ų182122.4 Ų122.484%0.84368%0.684SS**SBendtrans-97.8-2.1-169.8-76.3-75000116.8
280T44.1Very low41.5Very low80 Ų80117.6 Ų117.649%0.49168%0.676SS.*Hα-helixtrans-74.2-33.8-168.6440000115.3L282 A283 D284T280-L282 PolarHBondContact O-N 3.44Å; T280-L282 VanDerWaalsContact O-N 3.15Å; T280-A283 PolarHBondContact O-N 3.26Å; T280-D284 PolarHBondContact O-N 2.82Å; T280-D284 VanDerWaalsContact O-N 3.15Å
281G44.9Very low42Very low49 Ų49118.9 Ų118.951%0.50568%0.676SS.*Hα-helixtrans-57.4-36.3-164.500000116.8M285G281-M285 WeakPolarHBondContact O-CG 3.43Å
282L49.4Very low42.6Very low134 Ų134112.9 Ų112.970%0.70267%0.666SS**Hα-helixtrans-82.8-28.4177.1-80.3170.3000113.2T280 M286T280-L282 PolarHBondContact O-N 3.44Å; T280-L282 VanDerWaalsContact O-N 3.15Å; L282-M286 VanDerWaalsContact O-CE 3.32Å; L282-M286 WeakPolarHBondContact O-CE 3.22Å
283A53.3Low43.5Very low52 Ų52116.2 Ų116.243%0.4367%0.669SS.*Hα-helixtrans-68.9-48.8178.700000110.6T280 M285 M286 S287T280-A283 PolarHBondContact O-N 3.26Å; A283-M285 VanDerWaalsContact C-N 3.27Å; A283-M285 PolarHBondContact O-N 3.34Å; A283-M286 PolarHBondContact O-N 3.48Å; A283-S287 PolarHBondContact O-N 2.82Å; A283-S287 PolarHBondContact O-OG 3.24Å
284D51.6Low44.2Very low108 Ų108111.6 Ų111.658%0.57867%0.67SS**Hα-helixtrans-63.6-30.3-178.4-74.2-38.8000113.4T280 M286T280-D284 PolarHBondContact O-N 2.82Å; T280-D284 VanDerWaalsContact O-N 3.15Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 2.96Å
285M52Low45Very low144 Ų144109.4 Ų109.471%0.70966%0.658SS**Hα-helixtrans-70.4-22.2172.9-69.6-173.172.700113.6G281 A283G281-M285 WeakPolarHBondContact O-CG 3.43Å; A283-M285 VanDerWaalsContact C-N 3.27Å; A283-M285 PolarHBondContact O-N 3.34Å
286M51.3Low45.9Very low105 Ų105109.5 Ų109.552%0.51767%0.668SS.*Hα-helixtrans-97.6-21.6177.6-67-171.3-72.800113.4L282 A283 D284 F289L282-M286 VanDerWaalsContact O-CE 3.32Å; L282-M286 WeakPolarHBondContact O-CE 3.22Å; A283-M286 PolarHBondContact O-N 3.48Å; D284-M286 VanDerWaalsContact C-N 3.29Å; D284-M286 PolarHBondContact O-N 2.96Å; M286-F289 PolarHBondContact O-N 3.35Å
287S50.4Low46.6Very low62 Ų62115.1 Ų115.143%0.43467%0.67SS.*Hα-helixtrans-44.1-42.4176.1-69.80000116.1A283 F289A283-S287 PolarHBondContact O-N 2.82Å; A283-S287 PolarHBondContact O-OG 3.24Å; S287-F289 VanDerWaalsContact C-N 3.27Å; S287-F289 PolarHBondContact O-N 2.87Å
288P53.5Low47.1Very low97 Ų97119.9 Ų119.963%0.6368%0.678SS**Hα-helixtrans-71.3-16.4-179.523.6-28.5000114.5
289F52Low47.2Very low78 Ų78120 Ų12034%0.34268%0.681SS.*Hα-helixtrans-94.3-10.3-177.8-61.8-84.5000114M286 S287 L305 M308M286-F289 PolarHBondContact O-N 3.35Å; S287-F289 VanDerWaalsContact C-N 3.27Å; S287-F289 PolarHBondContact O-N 2.87Å; F289-L305 HydrophobicContact CD1-CD1 4.49Å; F289-M308 HydrophobicContact CE1-CE 3.96Å; F289-M308 HydrophobicContact CE2-CE 4.06Å; F289-M308 HydrophobicContact CZ-CE 3.53Å
290L54.8Low47.3Very low140 Ų140117.4 Ų117.473%0.73368%0.682SS**Hα-helixtrans-121.3-0.4-170.4-63176.1000114.4G292L290-G292 PolarHBondContact O-N 3.43Å
291N48.4Very low47.5Very low144 Ų144120.1 Ų120.177%0.7769%0.692SS**  trans-78.379.1-172.1-1687.5000113.5
292G40.8Very low48Very low66 Ų66119.4 Ų119.468%0.6868%0.679SS**  trans-89123.8170.400000112.5L290L290-G292 PolarHBondContact O-N 3.43Å
293Q43.9Very low48.3Very low179 Ų179117.8 Ų117.884%0.83668%0.677SS**  trans-64.7148.4173.1-93.4-165.3-7.100112.5G295Q293-G295 VanDerWaalsContact C-N 3.32Å; Q293-G295 PolarHBondContact O-N 2.89Å
294P41.5Very low48.5Very low140 Ų140120.6 Ų120.691%0.90969%0.685SS**SBendtrans-73.981.2176.831.5-35000111
295G41.9Very low48.9Very low64 Ų64118 Ų11866%0.6667%0.67SS**SBendtrans-155.534.5-165.400000117.2Q293 R297Q293-G295 VanDerWaalsContact C-N 3.32Å; Q293-G295 PolarHBondContact O-N 2.89Å; G295-R297 PolarHBondContact O-N 3.36Å
296G46.4Very low49.2Very low85 Ų85116.2 Ų116.288%0.87666%0.663SS**SBendtrans64.641.9154.300000118.9
297R42.7Very low49.9Very low250 Ų250114.6 Ų114.694%0.94366%0.661SS**SBendtrans-149.9167.7161.4-122.8172.3175.5-166.3-2.6112.6G295G295-R297 PolarHBondContact O-N 3.36Å
298R46.4Very low50.7Low232 Ų232115.9 Ų115.988%0.87566%0.661SS**  trans-51.1142.4-173.4-76.7178.8171.2153.5-3.8112.5C300R298-C300 PolarHBondContact O-N 2.9Å
299P40.5Very low51.4Low130 Ų130115.8 Ų115.884%0.84466%0.655SS**  trans-63125.9170.728-33.8000109.5
300C43Very low52Low127 Ų127118.2 Ų118.286%0.85867%0.667SS**  trans-105.1116.3174.7-160.30000108.1R298R298-C300 PolarHBondContact O-N 2.9Å
301I48.1Very low52.8Low136 Ų136114.5 Ų114.570%0.69765%0.653SS**  trans-68.1132.1176.4-59.7169.9000107.8L305I301-L305 HydrophobicContact CG2-CB 4.29Å; I301-L305 HydrophobicContact CG2-CD2 3.84Å
302S55Low53.7Low35 Ų35111.4 Ų111.425%0.24564%0.639CS.*  trans-65.6140.5178.854.10000111.2D304 L305S302-D304 PolarHBondContact O-N 2.83Å; S302-L305 PolarHBondContact O-N 2.82Å
303P57.4Low55Low100 Ų100112.1 Ų112.165%0.64963%0.632SS**THydrogen-bonded Turntrans-62-28.5-17324.4-34000112.9L305 L306 P307P303-L305 VanDerWaalsContact C-N 3.31Å; P303-L305 PolarHBondContact O-N 2.96Å; P303-L306 PolarHBondContact O-N 2.88Å; P303-P307 WeakPolarHBondContact O-CD 3.36Å
304D55.8Low56.1Low110 Ų110105.1 Ų105.159%0.58861%0.609SS**THydrogen-bonded Turntrans-74.4-15.2-175.9-51.1-68.1000114.4S302 L306 P307 M308S302-D304 PolarHBondContact O-N 2.83Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 2.67Å; D304-P307 WeakPolarHBondContact O-CD 3.45Å; D304-M308 PolarHBondContact O-N 2.71Å
305L61.1Low57Low53 Ų53103.7 Ų103.728%0.27759%0.59SS.*Hα-helixtrans-69-30.7174.3-170.466.5000111.8F289 I301 S302 P303 M308 L309F289-L305 HydrophobicContact CD1-CD1 4.49Å; I301-L305 HydrophobicContact CG2-CB 4.29Å; I301-L305 HydrophobicContact CG2-CD2 3.84Å; S302-L305 PolarHBondContact O-N 2.82Å; P303-L305 VanDerWaalsContact C-N 3.31Å; P303-L305 PolarHBondContact O-N 2.96Å; L305-M308 HydrophobicContact CD1-SD 4.39Å; L305-M308 PolarHBondContact O-N 2.81Å; L305-L309 HydrophobicContact CD2-CD1 4.49Å; L305-L309 HydrophobicContact CG-CD1 4.04Å; L305-L309 HydrophobicContact CG-CG 4.46Å; L305-L309 WeakPolarHBondContact O-CB 3.23Å; L305-L309 WeakPolarHBondContact O-CG 3.22Å; L305-L309 PolarHBondContact O-N 3.06Å
306L58.9Low57.7Low107 Ų107103.9 Ų103.956%0.5658%0.578SS**Hα-helixtrans-68-50.4179-106.4166.9000112.5P303 D304 M308 L309 Q310P303-L306 PolarHBondContact O-N 2.88Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 2.67Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.34Å; L306-L309 PolarHBondContact O-N 3.4Å; L306-Q310 WeakPolarHBondContact O-CB 3.39Å; L306-Q310 VanDerWaalsContact O-CG 3.28Å; L306-Q310 WeakPolarHBondContact O-CG 3.24Å; L306-Q310 PolarHBondContact O-N 3.22Å
307P65.6Low58.4Low72 Ų72103.5 Ų103.547%0.46856%0.559SS.*Hα-helixtrans-56-38.6170.3-28.635.9000113.7P303 D304 Q310 S311P303-P307 WeakPolarHBondContact O-CD 3.36Å; D304-P307 WeakPolarHBondContact O-CD 3.45Å; P307-Q310 PolarHBondContact O-N 3.21Å; P307-S311 WeakPolarHBondContact O-CB 3.12Å; P307-S311 PolarHBondContact O-N 2.63Å
308M65.8Low59Low88 Ų8897.8 Ų97.843%0.43354%0.543SS..Hα-helixtrans-63.1-50.6176.4-170.7-164.5-6100111.4F289 D304 L305 L306 Q310 S311 V312F289-M308 HydrophobicContact CE1-CE 3.96Å; F289-M308 HydrophobicContact CE2-CE 4.06Å; F289-M308 HydrophobicContact CZ-CE 3.53Å; D304-M308 PolarHBondContact O-N 2.71Å; L305-M308 HydrophobicContact CD1-SD 4.39Å; L305-M308 PolarHBondContact O-N 2.81Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.34Å; M308-Q310 PolarHBondContact O-N 2.95Å; M308-S311 WeakPolarHBondContact O-CB 3.4Å; M308-S311 PolarHBondContact O-N 3.01Å; M308-V312 WeakPolarHBondContact O-CG2 3.42Å; M308-V312 PolarHBondContact O-N 2.86Å
309L68.4Low59.4Low96 Ų9692.4 Ų92.450%0.50353%0.531SS..Hα-helixtrans-63.7-39.8177.4-71.8169.5000111.9L305 L306 S311 V312 C313L305-L309 HydrophobicContact CD2-CD1 4.49Å; L305-L309 HydrophobicContact CG-CD1 4.04Å; L305-L309 HydrophobicContact CG-CG 4.46Å; L305-L309 WeakPolarHBondContact O-CB 3.23Å; L305-L309 WeakPolarHBondContact O-CG 3.22Å; L305-L309 PolarHBondContact O-N 3.06Å; L306-L309 PolarHBondContact O-N 3.4Å; L309-S311 VanDerWaalsContact C-N 3.34Å; L309-S311 PolarHBondContact O-N 3.38Å; L309-V312 PolarHBondContact O-N 3.03Å; L309-C313 WeakPolarHBondContact O-CB 3.49Å; L309-C313 PolarHBondContact O-N 2.85Å; L309-C313 PolarHBondContact O-SG 2.92Å; L309-C313 VanDerWaalsContact O-SG 3.33Å
310Q65Low60.1Low129 Ų12995 Ų9560%0.60352%0.524SS*.Hα-helixtrans-64.7-36.2174.6-74.8176-11.500112.4L306 P307 M308 G314L306-Q310 WeakPolarHBondContact O-CB 3.39Å; L306-Q310 VanDerWaalsContact O-CG 3.28Å; L306-Q310 WeakPolarHBondContact O-CG 3.24Å; L306-Q310 PolarHBondContact O-N 3.22Å; P307-Q310 PolarHBondContact O-N 3.21Å; M308-Q310 PolarHBondContact O-N 2.95Å; Q310-G314 WeakPolarHBondContact O-CA 3.43Å; Q310-G314 PolarHBondContact O-N 2.86Å
311S71.8Confident60.7Low62 Ų6294.4 Ų94.443%0.43451%0.511SS..Hα-helixtrans-63.8-48.2173.7-171.60000111.4P307 M308 L309 G314 Q315P307-S311 WeakPolarHBondContact O-CB 3.12Å; P307-S311 PolarHBondContact O-N 2.63Å; M308-S311 WeakPolarHBondContact O-CB 3.4Å; M308-S311 PolarHBondContact O-N 3.01Å; L309-S311 VanDerWaalsContact C-N 3.34Å; L309-S311 PolarHBondContact O-N 3.38Å; S311-G314 PolarHBondContact O-N 3.45Å; S311-Q315 VanDerWaalsContact O-CG 3.29Å; S311-Q315 WeakPolarHBondContact O-CG 3.35Å; S311-Q315 PolarHBondContact O-N 2.95Å; S311-Q315 PolarHBondContact OG-NE2 2.86Å
312V67.6Low60.6Low79 Ų7993.1 Ų93.148%0.47950%0.502SS..Hα-helixtrans-64.3-46.1177.7175.40000111.5M308 L309 G314 Q315 V316M308-V312 WeakPolarHBondContact O-CG2 3.42Å; M308-V312 PolarHBondContact O-N 2.86Å; L309-V312 PolarHBondContact O-N 3.03Å; V312-G314 VanDerWaalsContact C-N 3.31Å; V312-G314 PolarHBondContact O-N 2.87Å; V312-Q315 PolarHBondContact O-N 2.82Å; V312-V316 WeakPolarHBondContact O-CG2 3.37Å; V312-V316 PolarHBondContact O-N 2.85Å
313C67.2Low60.4Low80 Ų8098.1 Ų98.154%0.54153%0.526SS..Hα-helixtrans-63.8-35.3175.5-70.60000112.5L309 T317L309-C313 WeakPolarHBondContact O-CB 3.49Å; L309-C313 PolarHBondContact O-N 2.85Å; L309-C313 PolarHBondContact O-SG 2.92Å; L309-C313 VanDerWaalsContact O-SG 3.33Å; C313-T317 WeakPolarHBondContact O-CB 3.33Å; C313-T317 PolarHBondContact O-N 2.82Å; C313-T317 PolarHBondContact O-OG1 2.95Å
314G67.9Low59.9Low33 Ų3397.4 Ų97.434%0.3453%0.528SS..Hα-helixtrans-62-53.2173.400000111.7Q310 S311 V312 V316 T317 Q318Q310-G314 WeakPolarHBondContact O-CA 3.43Å; Q310-G314 PolarHBondContact O-N 2.86Å; S311-G314 PolarHBondContact O-N 3.45Å; V312-G314 VanDerWaalsContact C-N 3.31Å; V312-G314 PolarHBondContact O-N 2.87Å; G314-V316 PolarHBondContact O-N 3.37Å; G314-T317 WeakPolarHBondContact O-CA 3.41Å; G314-T317 WeakPolarHBondContact O-CB 3.29Å; G314-T317 PolarHBondContact O-N 2.89Å; G314-Q318 WeakPolarHBondContact O-CB 3.31Å; G314-Q318 PolarHBondContact O-N 2.78Å
315Q59.9Low59.4Low110 Ų11096 Ų9651%0.51453%0.527SS..Hα-helixtrans-58.2-44.6178.1-69.3168.922.500112.2S311 V312 T317 Q318 L319S311-Q315 VanDerWaalsContact O-CG 3.29Å; S311-Q315 WeakPolarHBondContact O-CG 3.35Å; S311-Q315 PolarHBondContact O-N 2.95Å; S311-Q315 PolarHBondContact OG-NE2 2.86Å; V312-Q315 PolarHBondContact O-N 2.82Å; Q315-T317 VanDerWaalsContact C-N 3.28Å; Q315-T317 PolarHBondContact O-N 2.66Å; Q315-Q318 PolarHBondContact O-N 2.61Å; Q315-L319 WeakPolarHBondContact O-CG 3.33Å; Q315-L319 PolarHBondContact O-N 3.09Å
316V57.5Low58.6Low68 Ų68100.3 Ų100.341%0.41254%0.544SS..Hα-helixtrans-64.9-31.1176.1171.50000112.4V312 G314V312-V316 WeakPolarHBondContact O-CG2 3.37Å; V312-V316 PolarHBondContact O-N 2.85Å; G314-V316 PolarHBondContact O-N 3.37Å
317T61.2Low58.1Low77 Ų77102.1 Ų102.147%0.47256%0.559SS.*Hα-helixtrans-73.9-39.5174.2-570000111.2C313 G314 Q315 R320 I321C313-T317 WeakPolarHBondContact O-CB 3.33Å; C313-T317 PolarHBondContact O-N 2.82Å; C313-T317 PolarHBondContact O-OG1 2.95Å; G314-T317 WeakPolarHBondContact O-CA 3.41Å; G314-T317 WeakPolarHBondContact O-CB 3.29Å; G314-T317 PolarHBondContact O-N 2.89Å; Q315-T317 VanDerWaalsContact C-N 3.28Å; Q315-T317 PolarHBondContact O-N 2.66Å; T317-R320 PolarHBondContact O-N 2.87Å; T317-I321 HydrophobicContact CG2-CD1 3.99Å; T317-I321 WeakPolarHBondContact O-CG1 3.34Å; T317-I321 PolarHBondContact O-N 3.45Å
318Q55.3Low56.9Low129 Ų129103.9 Ų103.960%0.60357%0.573SS**Hα-helixtrans-65.8-43.2-178.9-153162.18.900111.6G314 Q315 R320 I321 E322G314-Q318 WeakPolarHBondContact O-CB 3.31Å; G314-Q318 PolarHBondContact O-N 2.78Å; Q315-Q318 PolarHBondContact O-N 2.61Å; Q318-R320 VanDerWaalsContact C-N 3.32Å; Q318-R320 PolarHBondContact O-N 2.77Å; Q318-I321 PolarHBondContact O-N 3.28Å; Q318-I321 VanDerWaalsContact O-N 3.09Å; Q318-E322 PolarHBondContact O-N 3.14Å; Q318-E322 VanDerWaalsContact O-N 3.14Å
319L53.9Low55.8Low119 Ų119107.8 Ų107.862%0.62360%0.596SS**Hα-helixtrans-55.9-43.7172.8-71.8166.9000112.4Q315 I321 E322 D323Q315-L319 WeakPolarHBondContact O-CG 3.33Å; Q315-L319 PolarHBondContact O-N 3.09Å; L319-I321 VanDerWaalsContact C-N 3.27Å; L319-I321 PolarHBondContact O-N 2.82Å; L319-E322 PolarHBondContact O-N 2.81Å; L319-D323 PolarHBondContact O-N 2.87Å
320R55.7Low54.4Low186 Ų186106.2 Ų106.270%0.70260%0.603SS**Hα-helixtrans-68.8-20.7178-73.6178.3175.3163.21.7114.4T317 Q318T317-R320 PolarHBondContact O-N 2.87Å; Q318-R320 VanDerWaalsContact C-N 3.32Å; Q318-R320 PolarHBondContact O-N 2.77Å
321I56.3Low53.5Low114 Ų114106.2 Ų106.259%0.58561%0.614SS**Hα-helixtrans-85.8-34.6178.2-69167.7000110.6T317 Q318 L319 A324T317-I321 HydrophobicContact CG2-CD1 3.99Å; T317-I321 WeakPolarHBondContact O-CG1 3.34Å; T317-I321 PolarHBondContact O-N 3.45Å; Q318-I321 PolarHBondContact O-N 3.28Å; Q318-I321 VanDerWaalsContact O-N 3.09Å; L319-I321 VanDerWaalsContact C-N 3.27Å; L319-I321 PolarHBondContact O-N 2.82Å; I321-A324 PolarHBondContact O-N 2.69Å
322E46.2Very low52.6Low109 Ų109115.2 Ų115.251%0.50964%0.638SS.*Hα-helixtrans-67.4-41.9176.1-72.2-151.4-166.700113.1Q318 L319 A324 S325 K326Q318-E322 PolarHBondContact O-N 3.14Å; Q318-E322 VanDerWaalsContact O-N 3.14Å; L319-E322 PolarHBondContact O-N 2.81Å; E322-A324 PolarHBondContact O-N 3.24Å; E322-S325 PolarHBondContact O-N 3.01Å; E322-S325 PolarHBondContact O-OG 2.87Å; E322-K326 IonicContact OE2-NZ 2.89Å; E322-K326 PolarHBondContact OE2-NZ 3.38Å
323D49.7Very low51.7Low139 Ų139120 Ų12074%0.74366%0.656SS**Hα-helixtrans-56.9-33.9176.9-79.2-22.8000112.6L319 S325L319-D323 PolarHBondContact O-N 2.87Å; D323-S325 PolarHBondContact O-N 2.73Å
324A47.8Very low51Low85 Ų85122 Ų12270%0.70266%0.657SS**THydrogen-bonded Turntrans-70.4-8.2179.700000114.2I321 E322I321-A324 PolarHBondContact O-N 2.69Å; E322-A324 PolarHBondContact O-N 3.24Å
325S45.2Very low50.7Low81 Ų81126.8 Ų126.857%0.56667%0.67SS**THydrogen-bonded Turntrans-105.6-5.2-171.870.50000115.6E322 D323E322-S325 PolarHBondContact O-N 3.01Å; E322-S325 PolarHBondContact O-OG 2.87Å; D323-S325 PolarHBondContact O-N 2.73Å
326K43.1Very low50.6Low144 Ų144125.7 Ų125.763%0.62668%0.68SS**  trans-123.958.1-167.2-70168.3-171.3156.40113.9E322 S328E322-K326 IonicContact OE2-NZ 2.89Å; E322-K326 PolarHBondContact OE2-NZ 3.38Å; K326-S328 PolarHBondContact O-N 2.85Å; K326-S328 VanDerWaalsContact O-N 3.1Å
327T48Very low50.8Low144 Ų144127.2 Ų127.288%0.88369%0.693SS**  trans-75.388.1166.152.80000111.4
328S42.1Very low50.8Low110 Ų110126.6 Ų126.677%0.76969%0.69SS**  trans-154.9152.8163.2-164.90000112K326K326-S328 PolarHBondContact O-N 2.85Å; K326-S328 VanDerWaalsContact O-N 3.1Å
329N43Very low51.5Low170 Ų170126.7 Ų126.791%0.90969%0.685SS**  trans-79.1135.2-173.3-59.2-77.2000112
330G39Very low52.5Low62 Ų62122.8 Ų122.864%0.63967%0.673SS**  trans-168.8158.817300000112
331P44.8Very low53.7Low129 Ų129119.8 Ų119.884%0.83867%0.671SS**  trans-64.8146.3177.328.1-34.3000111.2Q333P331-Q333 PolarHBondContact O-N 2.83Å
332R52.5Low54.8Low252 Ų252119.5 Ų119.595%0.95167%0.667SS**  trans-62.295.3-171.1-164.9-176.2-161.5-175.55.3111.6E334R332-E334 PolarHBondContact O-N 2.74Å
333Q49.1Very low56.8Low180 Ų180118.8 Ų118.884%0.84166%0.664SS**  trans-71.6112.2177.8-170163.912.200109.8P331 H335P331-Q333 PolarHBondContact O-N 2.83Å; Q333-H335 PolarHBondContact O-N 3.44Å
334E53.3Low58.7Low120 Ų120115.6 Ų115.656%0.56165%0.649SS**  trans-57.2120.5177.8-69.2171.3-159.800110.7R332 A336 R339R332-E334 PolarHBondContact O-N 2.74Å; E334-A336 PolarHBondContact O-N 3.06Å; E334-R339 IonicContact OE1-NH2 3.91Å; E334-R339 IonicContact OE2-CZ 3.36Å; E334-R339 IonicContact OE2-NE 3.23Å; E334-R339 PolarHBondContact OE2-NE 3.11Å; E334-R339 IonicContact OE2-NH2 2.66Å; E334-R339 PolarHBondContact OE2-NH2 2.82Å
335H60.3Low60.6Low134 Ų134116.4 Ų116.462%0.6264%0.641SS**  trans-65.2127.8174.8-120.2-117.5000109.1Q333 C337 C338 R339Q333-H335 PolarHBondContact O-N 3.44Å; H335-C337 PolarHBondContact O-N 2.91Å; H335-C338 WeakPolarHBondContact O-CB 3.43Å; H335-C338 PolarHBondContact O-N 2.9Å; H335-R339 PolarHBondContact O-N 3.41Å
336A59.2Low62.8Low87 Ų87119.3 Ų119.372%0.71965%0.645SS**Hα-helixtrans-56.6-25.5-179.100000113.2E334 G340E334-A336 PolarHBondContact O-N 3.06Å; A336-G340 PolarHBondContact O-N 3.42Å
337C61.3Low65.2Low101 Ų101119.7 Ų119.768%0.68264%0.643SS**Hα-helixtrans-65.1-37172.9-172.30000113.4H335 L341H335-C337 PolarHBondContact O-N 2.91Å; C337-L341 PolarHBondContact O-N 3.22Å
338C60.6Low67.2Low63 Ų63116.4 Ų116.443%0.42663%0.625SS.*Hα-helixtrans-68.8-49.9178.5-58.60000110.9H335 G340 L341 E342H335-C338 WeakPolarHBondContact O-CB 3.43Å; H335-C338 PolarHBondContact O-N 2.9Å; C338-G340 PolarHBondContact O-N 3.09Å; C338-L341 WeakPolarHBondContact O-CA 3.41Å; C338-L341 WeakPolarHBondContact O-CB 3.47Å; C338-L341 PolarHBondContact O-N 3.34Å; C338-E342 WeakPolarHBondContact O-CG 3.11Å; C338-E342 PolarHBondContact O-N 3.14Å
339R70.3Confident69.6Low132 Ų132115.4 Ų115.450%0.49861%0.611SS.*Hα-helixtrans-57.1-35.1176.7-176.1177.6-77.4-130-0.2112.8E334 H335 E342 Q343E334-R339 IonicContact OE1-NH2 3.91Å; E334-R339 IonicContact OE2-CZ 3.36Å; E334-R339 IonicContact OE2-NE 3.23Å; E334-R339 PolarHBondContact OE2-NE 3.11Å; E334-R339 IonicContact OE2-NH2 2.66Å; E334-R339 PolarHBondContact OE2-NH2 2.82Å; H335-R339 PolarHBondContact O-N 3.41Å; R339-E342 WeakPolarHBondContact CA-OE2 3.5Å; R339-Q343 VanDerWaalsContact O-CG 3.31Å; R339-Q343 WeakPolarHBondContact O-CG 3.46Å; R339-Q343 PolarHBondContact O-N 3.06Å; R339-Q343 VanDerWaalsContact O-N 3.13Å
340G75.4Confident72Confident36 Ų36108.6 Ų108.637%0.37158%0.581SS.*Hα-helixtrans-66.7-39.8173.700000113.4A336 C338 V344A336-G340 PolarHBondContact O-N 3.42Å; C338-G340 PolarHBondContact O-N 3.09Å; G340-V344 WeakPolarHBondContact O-CG2 3.48Å; G340-V344 PolarHBondContact O-N 3.4Å
341L80.2Confident74.7Confident123 Ų123109.9 Ų109.964%0.64457%0.57SS**Hα-helixtrans-69.1-42.6176-179.562.8000111.6C337 C338 Q343 V344 L345C337-L341 PolarHBondContact O-N 3.22Å; C338-L341 WeakPolarHBondContact O-CA 3.41Å; C338-L341 WeakPolarHBondContact O-CB 3.47Å; C338-L341 PolarHBondContact O-N 3.34Å; L341-Q343 PolarHBondContact O-N 3.37Å; L341-V344 PolarHBondContact O-N 3.28Å; L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 PolarHBondContact O-N 3.21Å
342E80.3Confident76.9Confident109 Ų109109.5 Ų109.551%0.50956%0.559SS.*Hα-helixtrans-58-47.9176.7-71.6155.3-168.900111.3C338 R339 V344 L345 E346C338-E342 WeakPolarHBondContact O-CG 3.11Å; C338-E342 PolarHBondContact O-N 3.14Å; R339-E342 WeakPolarHBondContact CA-OE2 3.5Å; E342-V344 VanDerWaalsContact C-N 3.28Å; E342-V344 PolarHBondContact O-N 3.2Å; E342-L345 PolarHBondContact O-N 3.14Å; E342-E346 VanDerWaalsContact O-CB 3.31Å; E342-E346 WeakPolarHBondContact O-CB 3.45Å; E342-E346 PolarHBondContact O-N 3.13Å
343Q87.6Confident78.9Confident94 Ų94103.4 Ų103.444%0.43954%0.541SS..Hα-helixtrans-66.8-23.4176.8-72.5178.26.500114.6R339 L341 R347R339-Q343 VanDerWaalsContact O-CG 3.31Å; R339-Q343 WeakPolarHBondContact O-CG 3.46Å; R339-Q343 PolarHBondContact O-N 3.06Å; R339-Q343 VanDerWaalsContact O-N 3.13Å; L341-Q343 PolarHBondContact O-N 3.37Å; Q343-R347 WeakPolarHBondContact O-CB 3.41Å; Q343-R347 PolarHBondContact O-N 3.21Å; Q343-R347 PolarHBondContact O-NH2 3.38Å
344V90.6Very high81.2Confident71 Ų71102.2 Ų102.243%0.4353%0.529SS..Hα-helixtrans-78.7-44.6172168.60000109.9G340 L341 E342 R347 C348G340-V344 WeakPolarHBondContact O-CG2 3.48Å; G340-V344 PolarHBondContact O-N 3.4Å; L341-V344 PolarHBondContact O-N 3.28Å; E342-V344 VanDerWaalsContact C-N 3.28Å; E342-V344 PolarHBondContact O-N 3.2Å; V344-R347 PolarHBondContact O-N 2.91Å; V344-C348 WeakPolarHBondContact O-CB 3.39Å; V344-C348 PolarHBondContact O-N 2.82Å; V344-C348 PolarHBondContact O-SG 3.05Å; V344-C348 VanDerWaalsContact O-SG 3.35Å
345L87.3Confident83.2Confident102 Ų102104 Ų10453%0.53453%0.531SS..Hα-helixtrans-61.7-48.3178.2-176.563.5000111.6L341 E342 R347 C348 L349L341-L345 WeakPolarHBondContact O-CB 3.46Å; L341-L345 PolarHBondContact O-N 3.21Å; E342-L345 PolarHBondContact O-N 3.14Å; L345-R347 VanDerWaalsContact C-N 3.31Å; L345-R347 PolarHBondContact O-N 2.77Å; L345-C348 PolarHBondContact O-N 3.3Å; L345-L349 HydrophobicContact CD1-CD1 4.28Å; L345-L349 HydrophobicContact CD1-CG 4.34Å; L345-L349 HydrophobicContact CG-CD1 3.97Å; L345-L349 HydrophobicContact CG-CG 4.45Å; L345-L349 WeakPolarHBondContact O-CB 3.46Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.04Å
346E91.4Very high84.8Confident142 Ų142102.7 Ų102.766%0.66453%0.527SS*.Hα-helixtrans-55.9-44.1175.6-177.1179-146.600111.7E342 L349 G350E342-E346 VanDerWaalsContact O-CB 3.31Å; E342-E346 WeakPolarHBondContact O-CB 3.45Å; E342-E346 PolarHBondContact O-N 3.13Å; E346-L349 PolarHBondContact O-N 3.22Å; E346-G350 PolarHBondContact O-N 3.12Å
347R93.5Very high86.6Confident152 Ų152103.4 Ų103.457%0.57452%0.517SS*.Hα-helixtrans-66.5-43.5177.6-168.8-177.3-52.7124.515.4112.6Q343 V344 L345 E351Q343-R347 WeakPolarHBondContact O-CB 3.41Å; Q343-R347 PolarHBondContact O-N 3.21Å; Q343-R347 PolarHBondContact O-NH2 3.38Å; V344-R347 PolarHBondContact O-N 2.91Å; L345-R347 VanDerWaalsContact C-N 3.31Å; L345-R347 PolarHBondContact O-N 2.77Å; R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 3.12Å
348C89.5Confident88.3Confident76 Ų76103.1 Ų103.151%0.51451%0.506SS..Hα-helixtrans-66.6-38.2177.1-71.10000112.1V344 L345 M352V344-C348 WeakPolarHBondContact O-CB 3.39Å; V344-C348 PolarHBondContact O-N 2.82Å; V344-C348 PolarHBondContact O-SG 3.05Å; V344-C348 VanDerWaalsContact O-SG 3.35Å; L345-C348 PolarHBondContact O-N 3.3Å; C348-M352 WeakPolarHBondContact O-CB 3.43Å; C348-M352 PolarHBondContact O-N 3.15Å
349L91.5Very high90Very high88 Ų88104.7 Ų104.746%0.46151%0.507SS..Hα-helixtrans-65-49.5174.8-72.3171.8000111.2L345 E346 E351 M352 E353L345-L349 HydrophobicContact CD1-CD1 4.28Å; L345-L349 HydrophobicContact CD1-CG 4.34Å; L345-L349 HydrophobicContact CG-CD1 3.97Å; L345-L349 HydrophobicContact CG-CG 4.45Å; L345-L349 WeakPolarHBondContact O-CB 3.46Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.04Å; E346-L349 PolarHBondContact O-N 3.22Å; L349-E351 VanDerWaalsContact C-N 3.29Å; L349-E351 PolarHBondContact O-N 3.42Å; L349-M352 HydrophobicContact CD2-CE 3.89Å; L349-M352 PolarHBondContact O-N 3.2Å; L349-E353 WeakPolarHBondContact O-CB 3.37Å; L349-E353 PolarHBondContact O-N 2.85Å
350G95.1Very high91.1Very high28 Ų28104 Ų10429%0.28951%0.511SS..Hα-helixtrans-66.2-26.5178.600000114.2E346 R354E346-G350 PolarHBondContact O-N 3.12Å; G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 PolarHBondContact O-N 2.85Å
351E95.1Very high92.1Very high88 Ų88106.2 Ų106.241%0.41151%0.514SS..Hα-helixtrans-75.9-39.8170.8-165.8-178.8162.100112R347 L349 R354 R355R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 3.12Å; L349-E351 VanDerWaalsContact C-N 3.29Å; L349-E351 PolarHBondContact O-N 3.42Å; E351-R354 PolarHBondContact O-N 2.86Å; E351-R355 VanDerWaalsContact O-CG 3.29Å; E351-R355 WeakPolarHBondContact O-CG 3.37Å; E351-R355 PolarHBondContact O-N 2.87Å; E351-R355 IonicContact OE1-CZ 3.31Å; E351-R355 VanDerWaalsContact OE1-CZ 3.31Å; E351-R355 IonicContact OE1-NE 3.15Å; E351-R355 PolarHBondContact OE1-NE 2.88Å; E351-R355 VanDerWaalsContact OE1-NE 3.15Å; E351-R355 IonicContact OE1-NH2 2.67Å; E351-R355 PolarHBondContact OE1-NH2 3.31Å
352M91.8Very high92.8Very high122 Ų122106.1 Ų106.160%0.60151%0.51SS*.Hα-helixtrans-64.2-42.8174.4-176.8177.770.100111.8C348 L349 R355 L356C348-M352 WeakPolarHBondContact O-CB 3.43Å; C348-M352 PolarHBondContact O-N 3.15Å; L349-M352 HydrophobicContact CD2-CE 3.89Å; L349-M352 PolarHBondContact O-N 3.2Å; M352-R355 PolarHBondContact O-N 2.99Å; M352-L356 WeakPolarHBondContact O-CB 3.31Å; M352-L356 PolarHBondContact O-N 2.84Å
353E94.5Very high93.6Very high124 Ų124108 Ų10858%0.57951%0.512SS*.Hα-helixtrans-58.1-48.7174-179.9-179.9-16300111.2L349 L356 M357L349-E353 WeakPolarHBondContact O-CB 3.37Å; L349-E353 PolarHBondContact O-N 2.85Å; E353-L356 WeakPolarHBondContact O-CB 3.46Å; E353-L356 PolarHBondContact O-N 2.95Å; E353-M357 WeakPolarHBondContact O-CB 3.12Å; E353-M357 PolarHBondContact O-N 3.19Å
354R96.4Very high94.1Very high154 Ų154107.9 Ų107.958%0.58152%0.515SS*.Hα-helixtrans-61.4-46.9178.1-166.8-168-53.3167.86.6112.3G350 E351 L356 M357 E358G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 PolarHBondContact O-N 2.85Å; E351-R354 PolarHBondContact O-N 2.86Å; R354-L356 VanDerWaalsContact C-N 3.26Å; R354-L356 PolarHBondContact O-N 3.29Å; R354-M357 WeakPolarHBondContact O-CB 3.4Å; R354-M357 PolarHBondContact O-N 2.97Å; R354-E358 VanDerWaalsContact CD-OE1 3.27Å; R354-E358 WeakPolarHBondContact CD-OE1 3.24Å; R354-E358 HydrophobicContact CG-CG 4.38Å; R354-E358 VanDerWaalsContact CG-OE1 3.32Å; R354-E358 WeakPolarHBondContact CG-OE1 3.09Å; R354-E358 WeakPolarHBondContact O-CB 3.25Å; R354-E358 VanDerWaalsContact O-CG 3.32Å; R354-E358 WeakPolarHBondContact O-CG 3.39Å; R354-E358 PolarHBondContact O-N 3.14Å
355R95.3Very high94.3Very high159 Ų159109.5 Ų109.560%0.652%0.521SS*.Hα-helixtrans-61.7-34.5177.2-70.3169.9179.8-136.78.4112E351 M352 H359E351-R355 VanDerWaalsContact O-CG 3.29Å; E351-R355 WeakPolarHBondContact O-CG 3.37Å; E351-R355 PolarHBondContact O-N 2.87Å; E351-R355 IonicContact OE1-CZ 3.31Å; E351-R355 VanDerWaalsContact OE1-CZ 3.31Å; E351-R355 IonicContact OE1-NE 3.15Å; E351-R355 PolarHBondContact OE1-NE 2.88Å; E351-R355 VanDerWaalsContact OE1-NE 3.15Å; E351-R355 IonicContact OE1-NH2 2.67Å; E351-R355 PolarHBondContact OE1-NH2 3.31Å; M352-R355 PolarHBondContact O-N 2.99Å; R355-H359 VanDerWaalsContact O-CB 3.3Å; R355-H359 WeakPolarHBondContact O-CB 3.48Å; R355-H359 PolarHBondContact O-N 2.82Å; R355-H359 VanDerWaalsContact O-N 3.11Å
356L95Very high94.7Very high105 Ų105107 Ų10755%0.5552%0.515SS..Hα-helixtrans-69.7-43.7174.7179.261.3000111.6M352 E353 R354 H359 M360M352-L356 WeakPolarHBondContact O-CB 3.31Å; M352-L356 PolarHBondContact O-N 2.84Å; E353-L356 WeakPolarHBondContact O-CB 3.46Å; E353-L356 PolarHBondContact O-N 2.95Å; R354-L356 VanDerWaalsContact C-N 3.26Å; R354-L356 PolarHBondContact O-N 3.29Å; L356-H359 PolarHBondContact O-N 3.36Å; L356-M360 HydrophobicContact CD1-CG 4.43Å; L356-M360 HydrophobicContact CD1-SD 4.49Å; L356-M360 HydrophobicContact CG-SD 4.5Å; L356-M360 WeakPolarHBondContact O-CB 3Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.24Å
357M96Very high94.8Very high103 Ų103105.7 Ų105.751%0.50751%0.51SS..Hα-helixtrans-60.1-54.8175.3-171.4177.2-61.400110.9E353 R354 H359 M360 D361E353-M357 WeakPolarHBondContact O-CB 3.12Å; E353-M357 PolarHBondContact O-N 3.19Å; R354-M357 WeakPolarHBondContact O-CB 3.4Å; R354-M357 PolarHBondContact O-N 2.97Å; M357-H359 PolarHBondContact O-N 3.21Å; M357-M360 PolarHBondContact O-N 2.7Å; M357-D361 PolarHBondContact O-N 3.1Å
358E97.2Very high94.9Very high94 Ų94103 Ų10344%0.43950%0.504SS..Hα-helixtrans-53.6-39.6175.9-71.7169.3-171.300112.3R354 Q362R354-E358 VanDerWaalsContact CD-OE1 3.27Å; R354-E358 WeakPolarHBondContact CD-OE1 3.24Å; R354-E358 HydrophobicContact CG-CG 4.38Å; R354-E358 VanDerWaalsContact CG-OE1 3.32Å; R354-E358 WeakPolarHBondContact CG-OE1 3.09Å; R354-E358 WeakPolarHBondContact O-CB 3.25Å; R354-E358 VanDerWaalsContact O-CG 3.32Å; R354-E358 WeakPolarHBondContact O-CG 3.39Å; R354-E358 PolarHBondContact O-N 3.14Å; E358-Q362 WeakPolarHBondContact O-CB 3.48Å; E358-Q362 WeakPolarHBondContact O-CG 3.4Å; E358-Q362 PolarHBondContact O-N 2.71Å; E358-Q362 PolarHBondContact O-NE2 3.44Å
359H95.8Very high95.1Very high96 Ų96104.7 Ų104.744%0.44451%0.507SS..Hα-helixtrans-74.9-33177.4-174.965.4000113.6R355 L356 M357 R363R355-H359 VanDerWaalsContact O-CB 3.3Å; R355-H359 WeakPolarHBondContact O-CB 3.48Å; R355-H359 PolarHBondContact O-N 2.82Å; R355-H359 VanDerWaalsContact O-N 3.11Å; L356-H359 PolarHBondContact O-N 3.36Å; M357-H359 PolarHBondContact O-N 3.21Å; H359-R363 VanDerWaalsContact NE2-CD 3.32Å; H359-R363 WeakPolarHBondContact NE2-CD 3.39Å; H359-R363 WeakPolarHBondContact O-CB 3.09Å; H359-R363 VanDerWaalsContact O-CG 3.31Å; H359-R363 WeakPolarHBondContact O-CG 3.11Å; H359-R363 PolarHBondContact O-N 2.97Å
360M94.2Very high95.3Very high118 Ų118109.8 Ų109.858%0.58152%0.52SS*.Hα-helixtrans-69.1-43.9173.4-79-172.658.900111.3L356 M357 R363 L364L356-M360 HydrophobicContact CD1-CG 4.43Å; L356-M360 HydrophobicContact CD1-SD 4.49Å; L356-M360 HydrophobicContact CG-SD 4.5Å; L356-M360 WeakPolarHBondContact O-CB 3Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.24Å; M357-M360 PolarHBondContact O-N 2.7Å; M360-R363 PolarHBondContact O-N 2.93Å; M360-L364 WeakPolarHBondContact O-CB 3.23Å; M360-L364 PolarHBondContact O-N 3.12Å
361D95.9Very high95.2Very high82 Ų82113.8 Ų113.844%0.43954%0.535SS..Hα-helixtrans-63.1-49.4178.1-64.9-25000110.8M357 R363 L364 D365M357-D361 PolarHBondContact O-N 3.1Å; D361-R363 PolarHBondContact O-N 3.02Å; D361-L364 WeakPolarHBondContact O-CA 3.43Å; D361-L364 WeakPolarHBondContact O-CB 3.15Å; D361-L364 PolarHBondContact O-N 2.79Å; D361-D365 PolarHBondContact O-N 3.12Å
362Q95.4Very high95.1Very high122 Ų122113.6 Ų113.657%0.5753%0.534SS*.Hα-helixtrans-55.7-36.1174.1-74.8167.330.700113.1E358 A366E358-Q362 WeakPolarHBondContact O-CB 3.48Å; E358-Q362 WeakPolarHBondContact O-CG 3.4Å; E358-Q362 PolarHBondContact O-N 2.71Å; E358-Q362 PolarHBondContact O-NE2 3.44Å; Q362-A366 VanDerWaalsContact O-CB 3.22Å; Q362-A366 WeakPolarHBondContact O-CB 3.46Å; Q362-A366 PolarHBondContact O-N 3.17Å; Q362-A366 VanDerWaalsContact O-N 3.09Å
363R96.7Very high95.1Very high147 Ų147110.7 Ų110.756%0.55552%0.523SS*.Hα-helixtrans-74.5-34.3175.5-78.9-178.859.1-167.9-5.1112.4H359 M360 D361 M367H359-R363 VanDerWaalsContact NE2-CD 3.32Å; H359-R363 WeakPolarHBondContact NE2-CD 3.39Å; H359-R363 WeakPolarHBondContact O-CB 3.09Å; H359-R363 VanDerWaalsContact O-CG 3.31Å; H359-R363 WeakPolarHBondContact O-CG 3.11Å; H359-R363 PolarHBondContact O-N 2.97Å; M360-R363 PolarHBondContact O-N 2.93Å; D361-R363 PolarHBondContact O-N 3.02Å; R363-M367 VanDerWaalsContact O-CG 3.28Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 2.89Å
364L97Very high94.9Very high93 Ų93107 Ų10749%0.48751%0.514SS..Hα-helixtrans-68.2-49.1176.3-166.8155000110.2M360 D361 A366 M367 Q368M360-L364 WeakPolarHBondContact O-CB 3.23Å; M360-L364 PolarHBondContact O-N 3.12Å; D361-L364 WeakPolarHBondContact O-CA 3.43Å; D361-L364 WeakPolarHBondContact O-CB 3.15Å; D361-L364 PolarHBondContact O-N 2.79Å; L364-A366 VanDerWaalsContact C-N 3.34Å; L364-A366 PolarHBondContact O-N 2.72Å; L364-M367 CarbonylContact O-C 3.56Å; L364-M367 PolarHBondContact O-N 3Å; L364-Q368 PolarHBondContact O-N 3.44Å
365D96.3Very high94.5Very high104 Ų104104 Ų10456%0.55651%0.509SS*.Hα-helixtrans-55.6-46.9173.3-72.8-20.1000111.6D361 M367 Q368 L369D361-D365 PolarHBondContact O-N 3.12Å; D365-M367 VanDerWaalsContact C-N 3.28Å; D365-M367 PolarHBondContact O-N 3.36Å; D365-Q368 PolarHBondContact O-N 3.22Å; D365-L369 WeakPolarHBondContact O-CB 3.37Å; D365-L369 PolarHBondContact O-N 2.87Å
366A95Very high94.2Very high50 Ų50102.2 Ų102.241%0.41351%0.511SS..Hα-helixtrans-65.5-28.2177.900000113.3Q362 L364 R370Q362-A366 VanDerWaalsContact O-CB 3.22Å; Q362-A366 WeakPolarHBondContact O-CB 3.46Å; Q362-A366 PolarHBondContact O-N 3.17Å; Q362-A366 VanDerWaalsContact O-N 3.09Å; L364-A366 VanDerWaalsContact C-N 3.34Å; L364-A366 PolarHBondContact O-N 2.72Å; A366-R370 WeakPolarHBondContact O-CB 3.43Å; A366-R370 WeakPolarHBondContact O-CD 3.44Å; A366-R370 WeakPolarHBondContact O-CG 3.31Å; A366-R370 PolarHBondContact O-N 3.18Å
367M94.3Very high93.5Very high115 Ų115103.4 Ų103.457%0.56751%0.514SS*.Hα-helixtrans-77.7-41.4171.7-74-174.6-56.600111.9R363 L364 D365 R370 L371R363-M367 VanDerWaalsContact O-CG 3.28Å; R363-M367 WeakPolarHBondContact O-CG 3.44Å; R363-M367 PolarHBondContact O-N 2.89Å; L364-M367 CarbonylContact O-C 3.56Å; L364-M367 PolarHBondContact O-N 3Å; D365-M367 VanDerWaalsContact C-N 3.28Å; D365-M367 PolarHBondContact O-N 3.36Å; M367-R370 PolarHBondContact O-N 2.68Å; M367-L371 PolarHBondContact O-N 3.03Å
368Q94.6Very high92.6Very high96 Ų96102.8 Ų102.845%0.44952%0.516SS..Hα-helixtrans-62.1-50.2176.8177.7172.2-27.100111L364 D365 R370 L371 E372L364-Q368 PolarHBondContact O-N 3.44Å; D365-Q368 PolarHBondContact O-N 3.22Å; Q368-R370 VanDerWaalsContact C-N 3.25Å; Q368-R370 PolarHBondContact O-N 3.05Å; Q368-L371 WeakPolarHBondContact O-CA 3.38Å; Q368-L371 WeakPolarHBondContact O-CB 3.49Å; Q368-L371 PolarHBondContact O-N 3.22Å; Q368-E372 HydrophobicContact CG-CG 4.33Å; Q368-E372 VanDerWaalsContact CG-OE1 3.31Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.4Å; Q368-E372 PolarHBondContact NE2-OE1 3Å; Q368-E372 WeakPolarHBondContact O-CG 3.4Å; Q368-E372 PolarHBondContact O-N 2.82Å
369L94.9Very high91.5Very high110 Ų110105 Ų10558%0.57653%0.529SS*.Hα-helixtrans-60.5-35.1178.1-176.663.4000112.1D365 T373D365-L369 WeakPolarHBondContact O-CB 3.37Å; D365-L369 PolarHBondContact O-N 2.87Å; L369-T373 VanDerWaalsContact O-CB 3.25Å; L369-T373 WeakPolarHBondContact O-CB 3.31Å; L369-T373 PolarHBondContact O-N 3.25Å; L369-T373 PolarHBondContact O-OG1 3.39Å
370R94.4Very high90Very high195 Ų195103.9 Ų103.974%0.73654%0.537SS*.Hα-helixtrans-67.2-41172.5-79.2174.3175.6-163.7-1.5112.3A366 M367 Q368 A374A366-R370 WeakPolarHBondContact O-CB 3.43Å; A366-R370 WeakPolarHBondContact O-CD 3.44Å; A366-R370 WeakPolarHBondContact O-CG 3.31Å; A366-R370 PolarHBondContact O-N 3.18Å; M367-R370 PolarHBondContact O-N 2.68Å; Q368-R370 VanDerWaalsContact C-N 3.25Å; Q368-R370 PolarHBondContact O-N 3.05Å; R370-A374 WeakPolarHBondContact O-CB 3.09Å; R370-A374 PolarHBondContact O-N 2.84Å
371L93.7Very high88.3Confident112 Ų112104.5 Ų104.559%0.58654%0.542SS*.Hα-helixtrans-64.8-48176.2-169.399.7000111.1M367 Q368 T373 A374 L375M367-L371 PolarHBondContact O-N 3.03Å; Q368-L371 WeakPolarHBondContact O-CA 3.38Å; Q368-L371 WeakPolarHBondContact O-CB 3.49Å; Q368-L371 PolarHBondContact O-N 3.22Å; L371-T373 VanDerWaalsContact C-N 3.35Å; L371-T373 PolarHBondContact O-N 3.41Å; L371-A374 PolarHBondContact O-N 3.18Å; L371-L375 HydrophobicContact CD2-CD1 3.97Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.5Å
372E93.6Very high86.4Confident84 Ų84105 Ų10539%0.39355%0.55SS..Hα-helixtrans-59.8-44175.8-71.3175.8-170.700111.4Q368 A374 L375 L376Q368-E372 HydrophobicContact CG-CG 4.33Å; Q368-E372 VanDerWaalsContact CG-OE1 3.31Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.4Å; Q368-E372 PolarHBondContact NE2-OE1 3Å; Q368-E372 WeakPolarHBondContact O-CG 3.4Å; Q368-E372 PolarHBondContact O-N 2.82Å; E372-A374 PolarHBondContact O-N 3.42Å; E372-L375 PolarHBondContact O-N 2.92Å; E372-L376 WeakPolarHBondContact O-CB 3.44Å; E372-L376 VanDerWaalsContact O-CG 3.3Å; E372-L376 WeakPolarHBondContact O-CG 3.4Å; E372-L376 PolarHBondContact O-N 2.86Å
373T91.4Very high84.4Confident61 Ų61106.5 Ų106.537%0.37456%0.561SS.*Hα-helixtrans-61.3-44.7175-59.60000111.6L369 L371 L376 Q377L369-T373 VanDerWaalsContact O-CB 3.25Å; L369-T373 WeakPolarHBondContact O-CB 3.31Å; L369-T373 PolarHBondContact O-N 3.25Å; L369-T373 PolarHBondContact O-OG1 3.39Å; L371-T373 VanDerWaalsContact C-N 3.35Å; L371-T373 PolarHBondContact O-N 3.41Å; T373-L376 PolarHBondContact O-N 3.29Å; T373-Q377 WeakPolarHBondContact O-CB 3.24Å; T373-Q377 VanDerWaalsContact O-CG 3.26Å; T373-Q377 WeakPolarHBondContact O-CG 3.3Å; T373-Q377 PolarHBondContact O-N 2.74Å
374A89.3Confident82Confident48 Ų48106 Ų10640%0.39757%0.57SS.*Hα-helixtrans-66.3-40.5178.400000112.3R370 L371 E372 Q377 T378R370-A374 WeakPolarHBondContact O-CB 3.09Å; R370-A374 PolarHBondContact O-N 2.84Å; L371-A374 PolarHBondContact O-N 3.18Å; E372-A374 PolarHBondContact O-N 3.42Å; A374-Q377 PolarHBondContact O-N 2.89Å; A374-T378 WeakPolarHBondContact O-CG2 3.21Å; A374-T378 PolarHBondContact O-N 3.27Å; A374-T378 PolarHBondContact O-OG1 3.06Å
375L88.9Confident79.8Confident90 Ų90110.7 Ų110.747%0.47159%0.588SS.*Hα-helixtrans-63.7-45.3174.4-73.8169.8000111.4L371 E372 Q377 T378 L379L371-L375 HydrophobicContact CD2-CD1 3.97Å; L371-L375 HydrophobicContact CG-CD1 4.12Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.5Å; E372-L375 PolarHBondContact O-N 2.92Å; L375-Q377 VanDerWaalsContact C-N 3.31Å; L375-Q377 PolarHBondContact O-N 3.26Å; L375-T378 PolarHBondContact O-N 3.05Å; L375-T378 PolarHBondContact O-OG1 2.79Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 WeakPolarHBondContact O-CD1 3.34Å; L375-L379 WeakPolarHBondContact O-CG 3.02Å; L375-L379 PolarHBondContact O-N 3.1Å
376L87.9Confident77.4Confident121 Ų121112.8 Ų112.863%0.63460%0.599SS**Hα-helixtrans-63.2-37.3175.4-72.9170.4000111.7E372 T373 A380E372-L376 WeakPolarHBondContact O-CB 3.44Å; E372-L376 VanDerWaalsContact O-CG 3.3Å; E372-L376 WeakPolarHBondContact O-CG 3.4Å; E372-L376 PolarHBondContact O-N 2.86Å; T373-L376 PolarHBondContact O-N 3.29Å; L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 2.87Å
377Q81.7Confident75Confident131 Ų131119.5 Ų119.561%0.61262%0.619SS**Hα-helixtrans-66.1-38.4174.5-75.5173.53.200112.8T373 A374 L375T373-Q377 WeakPolarHBondContact O-CB 3.24Å; T373-Q377 VanDerWaalsContact O-CG 3.26Å; T373-Q377 WeakPolarHBondContact O-CG 3.3Å; T373-Q377 PolarHBondContact O-N 2.74Å; A374-Q377 PolarHBondContact O-N 2.89Å; L375-Q377 VanDerWaalsContact C-N 3.31Å; L375-Q377 PolarHBondContact O-N 3.26Å
378T75.9Confident72.2Confident90 Ų90120.4 Ų120.455%0.55263%0.631SS**Hα-helixtrans-74.8-33.8175.6560000113A374 L375A374-T378 WeakPolarHBondContact O-CG2 3.21Å; A374-T378 PolarHBondContact O-N 3.27Å; A374-T378 PolarHBondContact O-OG1 3.06Å; L375-T378 PolarHBondContact O-N 3.05Å; L375-T378 PolarHBondContact O-OG1 2.79Å
379L75.3Confident69.5Low139 Ų139122.2 Ų122.273%0.72865%0.649SS**Hα-helixtrans-73.6-25.5174.1-79.5157.2000113.4L375 L381L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 WeakPolarHBondContact O-CD1 3.34Å; L375-L379 WeakPolarHBondContact O-CG 3.02Å; L375-L379 PolarHBondContact O-N 3.1Å; L379-L381 VanDerWaalsContact C-N 3.29Å; L379-L381 PolarHBondContact O-N 3.16Å
380A64Low66.6Low73 Ų73121.2 Ų121.260%0.60366%0.656SS**THydrogen-bonded Turntrans-80.9-2.1176.800000114.1L376 P382L376-A380 WeakPolarHBondContact O-CB 3.33Å; L376-A380 PolarHBondContact O-N 2.87Å; A380-P382 WeakPolarHBondContact O-CD 3.46Å
381L58.4Low64.2Low132 Ų132117.9 Ų117.969%0.69166%0.66SS**  trans-76.6112.3172.2-71.8170.4000110.4L379L379-L381 VanDerWaalsContact C-N 3.29Å; L379-L381 PolarHBondContact O-N 3.16Å
382P55Low61.4Low92 Ų92119.3 Ų119.360%0.59767%0.673SS**  trans-75.5159.3-179.9-1431.8000112.3A380 N384A380-P382 WeakPolarHBondContact O-CD 3.46Å; P382-N384 PolarHBondContact O-N 2.84Å
383L54.8Low59Low153 Ų153120.6 Ų120.680%0.80169%0.689SS**  trans-65.266.9173.6-87.6158000113.3H385L383-H385 VanDerWaalsContact C-N 3.26Å; L383-H385 PolarHBondContact O-N 3.41Å
384N46.6Very low56.4Low138 Ų138124.8 Ų124.874%0.73871%0.709SS**THydrogen-bonded Turntrans-79.9-1.7-179.7-73.9-12.2000114.2P382P382-N384 PolarHBondContact O-N 2.84Å
385H49.2Very low53.8Low190 Ų190131.1 Ų131.188%0.8873%0.731SS**THydrogen-bonded Turntrans-97.37.5177.3-73.2-58.8000114.8L383L383-H385 VanDerWaalsContact C-N 3.26Å; L383-H385 PolarHBondContact O-N 3.41Å
386L47.1Very low52.1Low149 Ų149131.2 Ų131.278%0.7874%0.736SS**SBendtrans-123.150.4-175.3-151.277.3000114.9
387K43.9Very low49.6Very low190 Ų190134.5 Ų134.583%0.82675%0.748SS**  trans-154.4142.2161.1-147.3163.9-172.5172.20112.2
388T36.4Very low47.2Very low135 Ų135132.6 Ų132.683%0.82876%0.755SS**SBendtrans77.7119.6-178.5-34.60000112
389T36.7Very low45.5Very low134 Ų134136 Ų13682%0.82277%0.769SS**  cis-121.8165.46.143.90000113.3
390A34.1Very low43.8Very low89 Ų89141.5 Ų141.574%0.73679%0.791SS**  trans-94.2158.5171.200000111.7
391P45.5Very low42.8Very low125 Ų125145 Ų14581%0.81280%0.8SS**  trans-88157.3-179.735.5-35.8000113.8
392T34Very low42Very low141 Ų141145.6 Ų145.687%0.86581%0.806SS**  trans-141.1156.9162.625.40000110
393P43.5Very low41.3Very low111 Ų111148.6 Ų148.672%0.72182%0.817SS**  trans-106.4175.4-14840.4-37.2000116.6
394D36.2Very low40.5Very low149 Ų149148.4 Ų148.480%0.79782%0.818SS**  trans-3.1143.9157.7-56.1-58.7000118.2
395Q35Very low40.1Very low182 Ų182149 Ų14985%0.8582%0.823SS**  -166.6-150.952.4-147.6-165.7100111.8
396P53.8Low39.5Very low91 Ų91146.3 Ų146.359%0.59182%0.82SS**  -127.2-170.7-123.645.8-27.9000117.5
397Q34.1Very low38.9Very low190 Ų190146.1 Ų146.189%0.88882%0.823SS**  trans73.1159.2167.4-62.4177.8-10.800115.4
398A32.7Very low38.6Very low91 Ų91142.7 Ų142.775%0.75282%0.822SS**  cis-139.5-179.27.500000112.8
399L39.1Very low38.7Very low162 Ų162143.3 Ų143.385%0.84882%0.822SS**  trans-60.8148.5169.2-50.6102.5000112
400H40.3Very low38.9Very low255 Ų255144.2 Ų144.2100%1.18182%0.822SS**  -1570101.9-137.4-54.5000113.7

Retrieved 400 of 400 residues in 86.2 ms (Link to these results)