A0A077ZKJ5_TRITR Loading...

CRAL TRIO domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, 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
1M29.1Very low34.5Very low244 Ų244115.3 Ų115.3100%1.20264%0.644SS**  0105.40-76.4178.4-175.300107.7K3M1-K3 PolarHBondContact O-N 3.08Å; M1-K3 VanDerWaalsContact O-N 3.14Å
2A31.7Very low35.2Very low83 Ų83108.6 Ų108.669%0.68661%0.61SS**  trans-63.5113.4171.600000107.3N4A2-N4 PolarHBondContact O-N 3.14Å; A2-N4 VanDerWaalsContact O-N 3.08Å
3K32.9Very low36.2Very low184 Ų184105.8 Ų105.880%0.860%0.598SS**  trans-58.6117.9163.1-77.9-178.1176.7179.60104.8M1 F5M1-K3 PolarHBondContact O-N 3.08Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-F5 PolarHBondContact O-N 2.76Å
4N29.9Very low36.8Very low144 Ų14499.4 Ų99.477%0.7756%0.563SS**  trans-48.6108.6171.6-74.9-25.8000106.9A2 V6A2-N4 PolarHBondContact O-N 3.14Å; A2-N4 VanDerWaalsContact O-N 3.08Å; N4-V6 HydrophobicContact CB-CG2 3.96Å; N4-V6 PolarHBondContact O-N 2.84Å
5F35.8Very low37.3Very low93 Ų93105.9 Ų105.941%0.40858%0.582SS.*  trans-69.169.6167-90.5-97.6000106.2K3 N7 F232 V242K3-F5 PolarHBondContact O-N 2.76Å; F5-N7 PolarHBondContact O-N 3.47Å; F5-F232 HydrophobicContact CD1-CD1 4.5Å; F5-F232 HydrophobicContact CE1-CB 4.22Å; F5-F232 AromaticContact CE1-CD1 3.42Å; F5-F232 HydrophobicContact CE1-CD1 3.42Å; F5-F232 VanDerWaalsContact CE1-CD1 3.42Å; F5-F232 AromaticContact CE1-CE1 3.9Å; F5-F232 HydrophobicContact CE1-CE1 3.9Å; F5-F232 AromaticContact CE1-CG 3.85Å; F5-F232 HydrophobicContact CE1-CG 3.85Å; F5-F232 HydrophobicContact CZ-CB 4.36Å; F5-F232 AromaticContact CZ-CD1 3.94Å; F5-F232 HydrophobicContact CZ-CD1 3.94Å; F5-F232 HydrophobicContact CZ-CG 4.39Å; F5-V242 HydrophobicContact CD2-CG1 3.67Å; F5-V242 HydrophobicContact CE2-CG1 3.58Å; F5-V242 HydrophobicContact CG-CG1 4.43Å; F5-V242 HydrophobicContact CZ-CG1 4.27Å
6V32.9Very low37.9Very low114 Ų114102.4 Ų102.469%0.69158%0.577SS**  trans-63.8117.8165.9-178.70000104.3N4 P8N4-V6 HydrophobicContact CB-CG2 3.96Å; N4-V6 PolarHBondContact O-N 2.84Å; V6-P8 WeakPolarHBondContact O-CD 3.44Å
7N37.3Very low38.4Very low73 Ų73103.7 Ų103.739%0.3959%0.591SS.*  trans-40.6111.6170.7-85.8-24.3000108F5 P9 R202F5-N7 PolarHBondContact O-N 3.47Å; N7-P9 VanDerWaalsContact O-CD 3.23Å; N7-P9 WeakPolarHBondContact O-CD 3.23Å; N7-P9 VanDerWaalsContact O-N 3.11Å; N7-R202 PolarHBondContact OD1-NH2 3.14Å
8P33.8Very low39Very low61 Ų61104.6 Ų104.640%0.39659%0.589SS.*  trans-62.2122.2165.3-0.711.9000104.8V6 V11V6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-V11 HydrophobicContact CB-CG2 3.76Å
9P33.6Very low39.8Very low107 Ų107102.2 Ų102.270%0.69558%0.579SS**  trans-53.9159163.725-31.1000107.7N7 V11N7-P9 VanDerWaalsContact O-CD 3.23Å; N7-P9 WeakPolarHBondContact O-CD 3.23Å; N7-P9 VanDerWaalsContact O-N 3.11Å; P9-V11 WeakPolarHBondContact O-CG2 3.43Å; P9-V11 PolarHBondContact O-N 3.39Å
10C40Very low41.3Very low66 Ų66105.7 Ų105.745%0.44659%0.59SS.*  trans-38.5105.5177.6-700000109C12 E157 R201C10-C12 PolarHBondContact O-N 3.35Å; C10-E157 PolarHBondContact SG-OE2 3.07Å; C10-R201 VanDerWaalsContact CA-NH2 3.26Å; C10-R201 VanDerWaalsContact N-NH2 3.11Å; C10-R201 VanDerWaalsContact SG-CZ 3.54Å; C10-R201 PolarHBondContact SG-NH1 3.24Å; C10-R201 PolarHBondContact SG-NH2 2.95Å
11V42.1Very low42.8Very low99 Ų99101.8 Ų101.860%0.657%0.572SS**  trans-74.187.4-178.6-177.40000103P8 P9 T13P8-V11 HydrophobicContact CB-CG2 3.76Å; P9-V11 WeakPolarHBondContact O-CG2 3.43Å; P9-V11 PolarHBondContact O-N 3.39Å; V11-T13 PolarHBondContact O-N 2.88Å
12C43.8Very low45.3Very low35 Ų3591.1 Ų91.124%0.23652%0.521CS..  trans-59.7121.9159.1-158.40000105.1C10 C14 H50C10-C12 PolarHBondContact O-N 3.35Å; C12-C14 HydrophobicContact CB-CB 4.45Å; C12-C14 WeakPolarHBondContact CB-SG 3.42Å; C12-C14 PolarHBondContact O-N 3.33Å; C12-C14 WeakPolarHBondContact SG-CB 3.2Å; C12-C14 PolarHBondContact SG-N 3Å; C12-C14 VanDerWaalsContact SG-N 3.37Å; C12-C14 CovalentContact SG-SG 2.04Å; C12-C14 PolarHBondContact SG-SG 2.91Å; C12-H50 VanDerWaalsContact SG-CG 3.56Å; C12-H50 PolarHBondContact SG-ND1 3.18Å
13T47.3Very low47.6Very low73 Ų7388.8 Ų88.845%0.44851%0.505SS..SBendtrans-71.4-14.2168.753.10000110.9V11 H50V11-T13 PolarHBondContact O-N 2.88Å; T13-H50 PolarHBondContact OG1-O 3.32Å
14C45.6Very low49.9Very low16 Ų1682.3 Ų82.311%0.10848%0.483CS..  trans-75.2140.8177.170.80000112.3C12 C19C12-C14 HydrophobicContact CB-CB 4.45Å; C12-C14 WeakPolarHBondContact CB-SG 3.42Å; C12-C14 PolarHBondContact O-N 3.33Å; C12-C14 WeakPolarHBondContact SG-CB 3.2Å; C12-C14 PolarHBondContact SG-N 3Å; C12-C14 VanDerWaalsContact SG-N 3.37Å; C12-C14 CovalentContact SG-SG 2.04Å; C12-C14 PolarHBondContact SG-SG 2.91Å; C14-C19 VanDerWaalsContact SG-CA 3.56Å; C14-C19 WeakPolarHBondContact SG-CB 3.4Å; C14-C19 PolarHBondContact SG-SG 3.21Å
15K43.7Very low52.5Low197 Ų19779.4 Ų79.486%0.85747%0.474SS*.  trans-118.4130.4169.4-68-177.4179.2179.50108.5
16G46.4Very low54.9Low49 Ų4981.1 Ų81.151%0.50548%0.483SS..SBendtrans95.1-165.9172.500000115.2E18 C19G16-E18 PolarHBondContact O-N 3.45Å; G16-C19 VanDerWaalsContact O-CB 3.28Å; G16-C19 WeakPolarHBondContact O-CB 3.36Å; G16-C19 PolarHBondContact O-N 3.45Å
17P46.7Very low57.4Low125 Ų12575.9 Ų75.981%0.81245%0.451SS*.G310 helixtrans-62.6-11.2-173.223.6-32.6000114.5C19 E20P17-C19 PolarHBondContact O-N 2.98Å; P17-C19 VanDerWaalsContact O-N 3.14Å; P17-E20 PolarHBondContact O-N 3.25Å
18E50.3Low59.8Low120 Ų12075 Ų7556%0.56145%0.445SS*.G310 helixtrans-68-2.4170.4-56.6-176175.100113.7G16 W49G16-E18 PolarHBondContact O-N 3.45Å; E18-W49 PolarHBondContact O-NE1 2.98Å
19C53.4Low62.4Low58 Ų5875 Ų7539%0.39246%0.455SS..G310 helixtrans-79.8-18.5176.8-164.40000113.7C14 G16 P17 A21 H50C14-C19 VanDerWaalsContact SG-CA 3.56Å; C14-C19 WeakPolarHBondContact SG-CB 3.4Å; C14-C19 PolarHBondContact SG-SG 3.21Å; G16-C19 VanDerWaalsContact O-CB 3.28Å; G16-C19 WeakPolarHBondContact O-CB 3.36Å; G16-C19 PolarHBondContact O-N 3.45Å; P17-C19 PolarHBondContact O-N 2.98Å; P17-C19 VanDerWaalsContact O-N 3.14Å; C19-A21 PolarHBondContact O-N 2.93Å; C19-H50 PolarHBondContact O-CE1 2.85Å; C19-H50 VanDerWaalsContact O-CE1 3.32Å
20E69.1Low65Low172 Ų17271.7 Ų71.780%0.80443%0.432SS*.SBendtrans-73.6109.9168.5-74.6-173.4175.700108.2P17P17-E20 PolarHBondContact O-N 3.25Å
21A73Confident67.3Low25 Ų2568.8 Ų68.821%0.20741%0.411CS..PPolyproline II helixtrans-68.4142174.500000109.6C19 I45 R46 W49C19-A21 PolarHBondContact O-N 2.93Å; A21-I45 HydrophobicContact CB-CG2 4.42Å; A21-R46 HydrophobicContact CB-CB 4.14Å; A21-R46 HydrophobicContact CB-CG 3.31Å; A21-W49 HydrophobicContact CB-CB 4.1Å; A21-W49 HydrophobicContact CB-CG 4.07Å
22P81.3Confident69.5Low20 Ų2067 Ų6713%0.1341%0.414CS..PPolyproline II helixtrans-60.3155.8175.426.6-36.3000111.4E26 I27 I45 W49P22-E26 HydrophobicContact CB-CB 3.67Å; P22-E26 VanDerWaalsContact CB-OE2 3.24Å; P22-E26 WeakPolarHBondContact CB-OE2 3.47Å; P22-I27 HydrophobicContact CB-CD1 4.41Å; P22-I27 HydrophobicContact CB-CG1 4.35Å; P22-I27 HydrophobicContact CG-CD1 3.4Å; P22-I27 VanDerWaalsContact CG-CD1 3.4Å; P22-I27 HydrophobicContact CG-CG1 3.73Å; P22-I45 WeakPolarHBondContact O-CG2 3.49Å; P22-W49 HydrophobicContact CG-CD2 4.22Å; P22-W49 HydrophobicContact CG-CE3 3.82Å; P22-W49 HydrophobicContact CG-CH2 4.48Å; P22-W49 HydrophobicContact CG-CZ3 3.97Å
23G81.4Confident71.5Confident33 Ų3369.9 Ų69.934%0.3442%0.42SS..PPolyproline II helixtrans-66.7170.2168.600000112.6S25 E26 I27G23-S25 PolarHBondContact O-N 3.08Å; G23-E26 PolarHBondContact O-N 3.39Å; G23-I27 PolarHBondContact O-N 3.1Å; G23-I27 VanDerWaalsContact O-N 3.07Å
24S81.1Confident73.4Confident49 Ų4971.6 Ų71.634%0.34343%0.43SS..Hα-helixtrans-58.3-43.617953.40000113.1E26 I27 E28 I45S24-E26 VanDerWaalsContact C-N 3.33Å; S24-E26 PolarHBondContact O-N 3.18Å; S24-I27 PolarHBondContact O-N 3.39Å; S24-E28 WeakPolarHBondContact O-CG 3.42Å; S24-E28 PolarHBondContact O-N 2.87Å; S24-I45 VanDerWaalsContact CA-CD1 3.45Å
25S83.9Confident75.2Confident83 Ų8371.3 Ų71.358%0.5843%0.428SS*.Hα-helixtrans-61.9-38.1178.253.10000113G23 E28 G29G23-S25 PolarHBondContact O-N 3.08Å; S25-E28 PolarHBondContact O-N 3.48Å; S25-G29 PolarHBondContact O-N 3.17Å
26E85.6Confident77.1Confident129 Ų12964 Ų6460%0.60340%0.4SS*.Hα-helixtrans-69.2-40.3176.3-74.6179.7-147.500111.6P22 G23 S24 G29 L30P22-E26 HydrophobicContact CB-CB 3.67Å; P22-E26 VanDerWaalsContact CB-OE2 3.24Å; P22-E26 WeakPolarHBondContact CB-OE2 3.47Å; G23-E26 PolarHBondContact O-N 3.39Å; S24-E26 VanDerWaalsContact C-N 3.33Å; S24-E26 PolarHBondContact O-N 3.18Å; E26-G29 PolarHBondContact O-N 3.42Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 2.88Å
27I85.9Confident78.8Confident3 Ų369 Ų692%0.01541%0.41CS..Hα-helixtrans-62.1-44.9172.2-72.3-63.9000110.9P22 G23 S24 G29 L30 I31 V35 I45 W49 V59 L63P22-I27 HydrophobicContact CB-CD1 4.41Å; P22-I27 HydrophobicContact CB-CG1 4.35Å; P22-I27 HydrophobicContact CG-CD1 3.4Å; P22-I27 VanDerWaalsContact CG-CD1 3.4Å; P22-I27 HydrophobicContact CG-CG1 3.73Å; G23-I27 PolarHBondContact O-N 3.1Å; G23-I27 VanDerWaalsContact O-N 3.07Å; S24-I27 PolarHBondContact O-N 3.39Å; I27-G29 VanDerWaalsContact C-N 3.33Å; I27-G29 PolarHBondContact O-N 3.36Å; I27-L30 HydrophobicContact CD1-CD2 4.38Å; I27-L30 WeakPolarHBondContact O-CB 3.39Å; I27-L30 PolarHBondContact O-N 3.2Å; I27-L30 VanDerWaalsContact O-N 3.11Å; I27-I31 HydrophobicContact CG2-CG2 4.44Å; I27-I31 WeakPolarHBondContact O-CG1 3.14Å; I27-I31 PolarHBondContact O-N 3.44Å; I27-V35 HydrophobicContact CG2-CG2 3.93Å; I27-I45 HydrophobicContact CD1-CG2 4.19Å; I27-I45 HydrophobicContact CG1-CG1 4.45Å; I27-I45 HydrophobicContact CG1-CG2 3.59Å; I27-W49 HydrophobicContact CD1-CE3 4.34Å; I27-V59 HydrophobicContact CD1-CG1 4.25Å; I27-L63 HydrophobicContact CG2-CD1 3.77Å
28E88.4Confident80.3Confident56 Ų5670 Ų7026%0.26240%0.404SS..Hα-helixtrans-60-43.5177.4-74.8-175152.500111.9S24 S25 L30 I31 G32 R33 T34 V35S24-E28 WeakPolarHBondContact O-CG 3.42Å; S24-E28 PolarHBondContact O-N 2.87Å; S25-E28 PolarHBondContact O-N 3.48Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.45Å; E28-I31 PolarHBondContact O-N 2.82Å; E28-G32 WeakPolarHBondContact O-CA 3.36Å; E28-G32 PolarHBondContact O-N 3.13Å; E28-R33 PolarHBondContact O-N 2.89Å; E28-T34 WeakPolarHBondContact OE1-CA 3.38Å; E28-T34 WeakPolarHBondContact OE1-CG2 3.43Å; E28-V35 HydrophobicContact CG-CB 4.22Å; E28-V35 HydrophobicContact CG-CG2 3.82Å; E28-V35 PolarHBondContact OE1-N 3.21Å
29G88.6Confident81.7Confident60 Ų6064.6 Ų64.662%0.61938%0.379SS*.Hα-helixtrans-60.7-41.2172.100000112.7S25 E26 I27S25-G29 PolarHBondContact O-N 3.17Å; E26-G29 PolarHBondContact O-N 3.42Å; I27-G29 VanDerWaalsContact C-N 3.33Å; I27-G29 PolarHBondContact O-N 3.36Å
30L88.5Confident83Confident38 Ų3864 Ų6420%0.19938%0.375CS..Hα-helixtrans-64.5-42.4177.2174.664.3000112.4E26 I27 E28 W49 K56 V59 R60E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 2.88Å; I27-L30 HydrophobicContact CD1-CD2 4.38Å; I27-L30 WeakPolarHBondContact O-CB 3.39Å; I27-L30 PolarHBondContact O-N 3.2Å; I27-L30 VanDerWaalsContact O-N 3.11Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.45Å; L30-W49 HydrophobicContact CD2-CZ3 4.42Å; L30-K56 HydrophobicContact CD1-CB 3.97Å; L30-K56 HydrophobicContact CD1-CG 4.46Å; L30-K56 HydrophobicContact CD2-CB 4.28Å; L30-K56 HydrophobicContact CD2-CG 4.44Å; L30-V59 HydrophobicContact CD2-CG1 4.32Å; L30-R60 HydrophobicContact CD1-CB 4.46Å; L30-R60 HydrophobicContact CG-CB 4.25Å; L30-R60 WeakPolarHBondContact O-CD 3.45Å; L30-R60 PolarHBondContact O-NH1 3.35Å
31I88.2Confident83.7Confident4 Ų458 Ų582%0.02135%0.35CS..Hα-helixtrans-86.1-19.9-177.469.9176.2000113.4I27 E28 R33 V35 L63 N64 I67I27-I31 HydrophobicContact CG2-CG2 4.44Å; I27-I31 WeakPolarHBondContact O-CG1 3.14Å; I27-I31 PolarHBondContact O-N 3.44Å; E28-I31 PolarHBondContact O-N 2.82Å; I31-R33 HydrophobicContact CB-CG 4.48Å; I31-R33 HydrophobicContact CD1-CG 3.72Å; I31-R33 WeakPolarHBondContact CD1-O 3.47Å; I31-R33 HydrophobicContact CG1-CG 3.79Å; I31-R33 WeakPolarHBondContact CG1-O 3.28Å; I31-V35 HydrophobicContact CD1-CG2 3.56Å; I31-L63 HydrophobicContact CG2-CB 4.13Å; I31-L63 HydrophobicContact CG2-CD1 4.19Å; I31-N64 PolarHBondContact O-ND2 3.1Å; I31-I67 HydrophobicContact CD1-CD1 3.65Å
32G86.6Confident84.3Confident63 Ų6362.2 Ų62.265%0.64937%0.369SS*.THydrogen-bonded Turntrans74.925.6-179.700000113.8E28E28-G32 WeakPolarHBondContact O-CA 3.36Å; E28-G32 PolarHBondContact O-N 3.13Å
33R87.1Confident84.7Confident95 Ų9563.3 Ų63.336%0.35837%0.372SS..SBendtrans-159.6162.2177.260.5177.660.6172.67.3111.4E28 I31 N64 E68E28-R33 PolarHBondContact O-N 2.89Å; I31-R33 HydrophobicContact CB-CG 4.48Å; I31-R33 HydrophobicContact CD1-CG 3.72Å; I31-R33 WeakPolarHBondContact CD1-O 3.47Å; I31-R33 HydrophobicContact CG1-CG 3.79Å; I31-R33 WeakPolarHBondContact CG1-O 3.28Å; R33-N64 VanDerWaalsContact CD-OD1 3.28Å; R33-N64 WeakPolarHBondContact CD-OD1 3.4Å; R33-N64 PolarHBondContact NE-OD1 2.93Å; R33-E68 IonicContact CZ-OE1 2.76Å; R33-E68 IonicContact NH1-OE1 3.82Å; R33-E68 PolarHBondContact NH1-OE1 3.12Å; R33-E68 IonicContact NH2-OE1 2.58Å; R33-E68 PolarHBondContact NH2-OE1 2.9Å
34T86Confident84.9Confident108 Ų10861.8 Ų61.866%0.66336%0.357SS*.PPolyproline II helixtrans-66.9134175.3-50.50000110.8E28E28-T34 WeakPolarHBondContact OE1-CA 3.38Å; E28-T34 WeakPolarHBondContact OE1-CG2 3.43Å
35V84.7Confident85.2Confident10 Ų1060.1 Ų60.16%0.06134%0.344CS..PPolyproline II helixtrans-80.1137.3172.2172.60000108.1I27 E28 I31 H37 M39 C40 I67I27-V35 HydrophobicContact CG2-CG2 3.93Å; E28-V35 HydrophobicContact CG-CB 4.22Å; E28-V35 HydrophobicContact CG-CG2 3.82Å; E28-V35 PolarHBondContact OE1-N 3.21Å; I31-V35 HydrophobicContact CD1-CG2 3.56Å; V35-H37 PolarHBondContact O-N 3.31Å; V35-M39 HydrophobicContact CG1-CB 3.56Å; V35-M39 HydrophobicContact CG1-SD 4.39Å; V35-C40 PolarHBondContact O-SG 2.82Å; V35-I67 HydrophobicContact CG2-CD1 4.41Å
36P83Confident85.4Confident44 Ų4460.5 Ų60.529%0.28633%0.332SS..PPolyproline II helixtrans-52.9134.1174.1-26.134.2000111.1E38 M39 C40 I67P36-E38 PolarHBondContact O-N 3.04Å; P36-M39 HydrophobicContact CB-CG 4.41Å; P36-M39 HydrophobicContact CG-SD 4.18Å; P36-M39 WeakPolarHBondContact O-CA 3.25Å; P36-M39 WeakPolarHBondContact O-CB 3.16Å; P36-M39 PolarHBondContact O-N 3.35Å; P36-C40 PolarHBondContact O-N 3.17Å; P36-I67 HydrophobicContact CG-CG1 4.25Å; P36-I67 HydrophobicContact CG-CG2 4.47Å
37H82Confident85.5Confident155 Ų15554.9 Ų54.972%0.71831%0.305SS*.G310 helixtrans-50.5-36.5-173.9176-80.9000113.7V35 M39 C40V35-H37 PolarHBondContact O-N 3.31Å; H37-M39 PolarHBondContact O-N 3.34Å; H37-C40 WeakPolarHBondContact O-CB 3.18Å; H37-C40 PolarHBondContact O-N 3.27Å; H37-C40 VanDerWaalsContact O-N 3.13Å
38E78.3Confident85.6Confident145 Ų14555 Ų5568%0.67831%0.306SS*.G310 helixtrans-63.1-28178.5-63.7170.6-163.500113.4P36 L148P36-E38 PolarHBondContact O-N 3.04Å; E38-L148 HydrophobicContact CB-CD1 4.15Å
39M79.9Confident85.5Confident6 Ų653.2 Ų53.23%0.0330%0.297CS..G310 helixtrans-90.4-7.9176.4-58.9-176.575.300113.4V35 P36 H37 T41 A44 W48 L63 Y66 F144V35-M39 HydrophobicContact CG1-CB 3.56Å; V35-M39 HydrophobicContact CG1-SD 4.39Å; P36-M39 HydrophobicContact CB-CG 4.41Å; P36-M39 HydrophobicContact CG-SD 4.18Å; P36-M39 WeakPolarHBondContact O-CA 3.25Å; P36-M39 WeakPolarHBondContact O-CB 3.16Å; P36-M39 PolarHBondContact O-N 3.35Å; H37-M39 PolarHBondContact O-N 3.34Å; M39-T41 PolarHBondContact O-N 3.02Å; M39-A44 WeakPolarHBondContact O-CB 3.43Å; M39-W48 HydrophobicContact CE-CZ2 4.31Å; M39-L63 HydrophobicContact CE-CD2 3.84Å; M39-Y66 HydrophobicContact CE-CD1 3.74Å; M39-Y66 HydrophobicContact CE-CE1 3.74Å; M39-Y66 HydrophobicContact CG-CE1 4.45Å; M39-Y66 HydrophobicContact SD-CD1 3.63Å; M39-Y66 HydrophobicContact SD-CE1 3.26Å; M39-Y66 WeakPolarHBondContact SD-CE1 3.44Å; M39-F144 HydrophobicContact CE-CE1 4.32Å; M39-F144 HydrophobicContact CE-CZ 4.22Å; M39-F144 HydrophobicContact CG-CE1 3.78Å; M39-F144 HydrophobicContact CG-CZ 3.82Å; M39-F144 HydrophobicContact SD-CE1 4.38Å
40C79.7Confident85.5Confident47 Ų4752 Ų5232%0.31828%0.275SS..  trans-77.347.3-179.3-65.10000111.7V35 P36 H37V35-C40 PolarHBondContact O-SG 2.82Å; P36-C40 PolarHBondContact O-N 3.17Å; H37-C40 WeakPolarHBondContact O-CB 3.18Å; H37-C40 PolarHBondContact O-N 3.27Å; H37-C40 VanDerWaalsContact O-N 3.13Å
41T84.1Confident85.3Confident46 Ų4651 Ų5128%0.28227%0.272SS..SBendtrans-112.4146.7173.7740000110.1M39 F43 A44 I45M39-T41 PolarHBondContact O-N 3.02Å; T41-F43 PolarHBondContact O-N 3.06Å; T41-A44 PolarHBondContact O-N 2.04Å; T41-A44 VanDerWaalsContact O-N 3.14Å; T41-A44 VanDerWaalsContact OG1-CB 3.26Å; T41-A44 WeakPolarHBondContact OG1-CB 3.47Å; T41-A44 PolarHBondContact OG1-N 3.37Å; T41-A44 VanDerWaalsContact OG1-N 3.07Å; T41-I45 PolarHBondContact O-N 3.17Å
42D85.5Confident85.2Confident113 Ų11352.6 Ų52.660%0.60428%0.279SS*.Hα-helixtrans-59.6-30.5177.4-62.4-18.9000112.1R46D42-R46 VanDerWaalsContact O-CB 3.23Å; D42-R46 WeakPolarHBondContact O-CB 3.46Å; D42-R46 VanDerWaalsContact O-CG 3.24Å; D42-R46 WeakPolarHBondContact O-CG 3.4Å; D42-R46 PolarHBondContact O-N 3.32Å; D42-R46 VanDerWaalsContact O-N 3.1Å; D42-R46 PolarHBondContact O-NE 2.72Å
43F89.5Confident85.1Confident42 Ų4250.8 Ų50.818%0.18426%0.261CS..Hα-helixtrans-70.8-45.5175.9-58.7-59.1000112T41 R47 E151 G155 E157T41-F43 PolarHBondContact O-N 3.06Å; F43-R47 VanDerWaalsContact O-CB 3.25Å; F43-R47 WeakPolarHBondContact O-CB 3.46Å; F43-R47 PolarHBondContact O-N 3.24Å; F43-E151 WeakPolarHBondContact CB-OE1 3.4Å; F43-E151 HydrophobicContact CD2-CB 4.08Å; F43-E151 HydrophobicContact CD2-CG 4.34Å; F43-G155 WeakPolarHBondContact CZ-O 3.29Å; F43-E157 HydrophobicContact CB-CG 4.46Å; F43-E157 HydrophobicContact CD1-CB 3.65Å; F43-E157 HydrophobicContact CD1-CG 4.17Å; F43-E157 HydrophobicContact CE1-CB 4.08Å; F43-E157 HydrophobicContact CG-CB 4.38Å
44A86.3Confident85Confident2 Ų246.8 Ų46.82%0.01725%0.248CC..Hα-helixtrans-61.9-48177.200000111.1M39 T41 R46 R47 W48M39-A44 WeakPolarHBondContact O-CB 3.43Å; T41-A44 PolarHBondContact O-N 2.04Å; T41-A44 VanDerWaalsContact O-N 3.14Å; T41-A44 VanDerWaalsContact OG1-CB 3.26Å; T41-A44 WeakPolarHBondContact OG1-CB 3.47Å; T41-A44 PolarHBondContact OG1-N 3.37Å; T41-A44 VanDerWaalsContact OG1-N 3.07Å; A44-R46 PolarHBondContact O-N 2.98Å; A44-R47 PolarHBondContact O-N 2.9Å; A44-W48 PolarHBondContact O-N 3.42Å; A44-W48 VanDerWaalsContact O-N 3.17Å
45I86.8Confident85.1Confident14 Ų1444.4 Ų44.47%0.07223%0.232CC..Hα-helixtrans-61.2-49.2179.8-67.5162.8000111.3A21 P22 S24 I27 T41 R47 W48 W49A21-I45 HydrophobicContact CB-CG2 4.42Å; P22-I45 WeakPolarHBondContact O-CG2 3.49Å; S24-I45 VanDerWaalsContact CA-CD1 3.45Å; I27-I45 HydrophobicContact CD1-CG2 4.19Å; I27-I45 HydrophobicContact CG1-CG1 4.45Å; I27-I45 HydrophobicContact CG1-CG2 3.59Å; T41-I45 PolarHBondContact O-N 3.17Å; I45-R47 VanDerWaalsContact C-N 3.34Å; I45-R47 PolarHBondContact O-N 3.07Å; I45-W48 PolarHBondContact O-N 2.74Å; I45-W49 WeakPolarHBondContact O-CB 3.24Å; I45-W49 PolarHBondContact O-N 3.19Å
46R88.2Confident85.3Confident91 Ų9150.5 Ų50.534%0.34326%0.257SS..Hα-helixtrans-56.1-47.1176.7-83.5-176.7-67.3-172-1.2112.4A21 D42 A44 W48 W49 H50A21-R46 HydrophobicContact CB-CB 4.14Å; A21-R46 HydrophobicContact CB-CG 3.31Å; D42-R46 VanDerWaalsContact O-CB 3.23Å; D42-R46 WeakPolarHBondContact O-CB 3.46Å; D42-R46 VanDerWaalsContact O-CG 3.24Å; D42-R46 WeakPolarHBondContact O-CG 3.4Å; D42-R46 PolarHBondContact O-N 3.32Å; D42-R46 VanDerWaalsContact O-N 3.1Å; D42-R46 PolarHBondContact O-NE 2.72Å; A44-R46 PolarHBondContact O-N 2.98Å; R46-W48 VanDerWaalsContact C-N 3.35Å; R46-W48 PolarHBondContact O-N 2.72Å; R46-W49 PolarHBondContact O-N 3.12Å; R46-H50 WeakPolarHBondContact O-CB 3.43Å; R46-H50 PolarHBondContact O-CD2 3.04Å; R46-H50 PolarHBondContact O-N 3.26Å
47R89.3Confident85.6Confident10 Ų1054 Ų544%0.03827%0.27CS..Hα-helixtrans-57.2-48-178.8-179.9-168.7-67.3108.89.1112.1F43 A44 I45 A51 E151 S158 P198F43-R47 VanDerWaalsContact O-CB 3.25Å; F43-R47 WeakPolarHBondContact O-CB 3.46Å; F43-R47 PolarHBondContact O-N 3.24Å; A44-R47 PolarHBondContact O-N 2.9Å; I45-R47 VanDerWaalsContact C-N 3.34Å; I45-R47 PolarHBondContact O-N 3.07Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.17Å; R47-E151 IonicContact CZ-OE1 2.68Å; R47-E151 IonicContact NH1-OE1 3.34Å; R47-E151 IonicContact NH1-OE2 3.85Å; R47-E151 IonicContact NH2-OE1 3.82Å; R47-E151 PolarHBondContact NH2-OE1 3.34Å; R47-E151 IonicContact NH2-OE2 2.91Å; R47-S158 PolarHBondContact NH2-O 3.44Å; R47-P198 VanDerWaalsContact CD-O 3.25Å; R47-P198 WeakPolarHBondContact CD-O 3.49Å; R47-P198 HydrophobicContact CG-CB 3.71Å; R47-P198 WeakPolarHBondContact CG-O 3.46Å
48W86.5Confident85.9Confident6 Ų652.3 Ų52.32%0.02326%0.261CS..Hα-helixtrans-66.6-45.4177.8-77.977.6000111M39 A44 I45 R46 H50 A51 F52 A62 L63 Y66 F195 P198M39-W48 HydrophobicContact CE-CZ2 4.31Å; A44-W48 PolarHBondContact O-N 3.42Å; A44-W48 VanDerWaalsContact O-N 3.17Å; I45-W48 PolarHBondContact O-N 2.74Å; R46-W48 VanDerWaalsContact C-N 3.35Å; R46-W48 PolarHBondContact O-N 2.72Å; W48-H50 PolarHBondContact O-N 2.91Å; W48-A51 PolarHBondContact O-N 2.88Å; W48-F52 AromaticContact CE3-CE2 3.79Å; W48-F52 HydrophobicContact CE3-CE2 3.79Å; W48-F52 HydrophobicContact CZ3-CE2 4.24Å; W48-F52 WeakPolarHBondContact O-CD2 3.4Å; W48-F52 PolarHBondContact O-N 2.83Å; W48-A62 HydrophobicContact CE3-CB 4.23Å; W48-A62 HydrophobicContact CZ3-CB 3.84Å; W48-L63 HydrophobicContact CB-CD2 4.36Å; W48-L63 HydrophobicContact CD2-CD2 3.52Å; W48-L63 HydrophobicContact CD2-CG 4.25Å; W48-L63 HydrophobicContact CE3-CD2 3.56Å; W48-L63 HydrophobicContact CE3-CG 3.87Å; W48-L63 HydrophobicContact CG-CD2 3.89Å; W48-L63 HydrophobicContact CZ2-CD2 4.49Å; W48-L63 HydrophobicContact CZ3-CD2 4.1Å; W48-L63 HydrophobicContact CZ3-CG 4.44Å; W48-Y66 HydrophobicContact CH2-CD2 4.26Å; W48-Y66 AromaticContact CH2-CG 3.97Å; W48-Y66 HydrophobicContact CH2-CG 3.97Å; W48-Y66 HydrophobicContact CZ2-CD2 4.32Å; W48-Y66 HydrophobicContact CZ2-CG 4.13Å; W48-F195 WeakPolarHBondContact CH2-O 3.27Å; W48-F195 WeakPolarHBondContact CZ2-O 3.46Å; W48-P198 HydrophobicContact CD2-CG 4.17Å; W48-P198 HydrophobicContact CE3-CG 4.33Å
49W87.7Confident86.4Confident19 Ų1945.4 Ų45.47%0.07223%0.228CC..Hα-helixtrans-54.7-49.9177-174.4-104000112.3E18 A21 P22 I27 L30 I45 R46 F52 G53 G54 K56 V59E18-W49 PolarHBondContact O-NE1 2.98Å; A21-W49 HydrophobicContact CB-CB 4.1Å; A21-W49 HydrophobicContact CB-CG 4.07Å; P22-W49 HydrophobicContact CG-CD2 4.22Å; P22-W49 HydrophobicContact CG-CE3 3.82Å; P22-W49 HydrophobicContact CG-CH2 4.48Å; P22-W49 HydrophobicContact CG-CZ3 3.97Å; I27-W49 HydrophobicContact CD1-CE3 4.34Å; L30-W49 HydrophobicContact CD2-CZ3 4.42Å; I45-W49 WeakPolarHBondContact O-CB 3.24Å; I45-W49 PolarHBondContact O-N 3.19Å; R46-W49 PolarHBondContact O-N 3.12Å; W49-F52 PolarHBondContact O-N 3.25Å; W49-G53 PolarHBondContact O-N 2.83Å; W49-G54 VanDerWaalsContact CE2-CA 3.42Å; W49-G54 WeakPolarHBondContact CH2-O 3.18Å; W49-G54 WeakPolarHBondContact CZ2-O 3.42Å; W49-G54 PolarHBondContact O-N 3.19Å; W49-K56 HydrophobicContact CH2-CG 3.74Å; W49-K56 HydrophobicContact CZ3-CG 4.08Å; W49-V59 HydrophobicContact CE3-CG1 4.32Å; W49-V59 HydrophobicContact CE3-CG2 3.97Å; W49-V59 HydrophobicContact CZ3-CG2 4.43Å
50H87Confident87Confident35 Ų3550 Ų5016%0.16225%0.245CC..Hα-helixtrans-70.2-36.2-178.6-62.9-36.9000113.3C12 T13 C19 R46 W48 F52 G53C12-H50 VanDerWaalsContact SG-CG 3.56Å; C12-H50 PolarHBondContact SG-ND1 3.18Å; T13-H50 PolarHBondContact OG1-O 3.32Å; C19-H50 PolarHBondContact O-CE1 2.85Å; C19-H50 VanDerWaalsContact O-CE1 3.32Å; R46-H50 WeakPolarHBondContact O-CB 3.43Å; R46-H50 PolarHBondContact O-CD2 3.04Å; R46-H50 PolarHBondContact O-N 3.26Å; W48-H50 PolarHBondContact O-N 2.91Å; H50-F52 PolarHBondContact O-N 3.13Å; H50-G53 PolarHBondContact O-N 3.15Å
51A85Confident87.4Confident17 Ų1750.5 Ų50.514%0.1425%0.247CC..Hα-helixtrans-60-30177.700000112.6R47 W48 P198 Y226R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.17Å; W48-A51 PolarHBondContact O-N 2.88Å; A51-P198 HydrophobicContact CB-CB 3.7Å; A51-P198 HydrophobicContact CB-CG 3.64Å; A51-Y226 HydrophobicContact CB-CE2 4.15Å
52F86Confident87.6Confident36 Ų3648.4 Ų48.416%0.15823%0.234CC..THydrogen-bonded Turntrans-103.114.7177.2-59.5-70.2000113.3W48 W49 H50 G54 D55 K58 V59 A62 P198W48-F52 AromaticContact CE3-CE2 3.79Å; W48-F52 HydrophobicContact CE3-CE2 3.79Å; W48-F52 HydrophobicContact CZ3-CE2 4.24Å; W48-F52 WeakPolarHBondContact O-CD2 3.4Å; W48-F52 PolarHBondContact O-N 2.83Å; W49-F52 PolarHBondContact O-N 3.25Å; H50-F52 PolarHBondContact O-N 3.13Å; F52-G54 PolarHBondContact O-N 3.49Å; F52-D55 VanDerWaalsContact O-CB 3.29Å; F52-D55 WeakPolarHBondContact O-CB 3.44Å; F52-D55 PolarHBondContact O-N 2.93Å; F52-D55 VanDerWaalsContact O-N 3.1Å; F52-K58 HydrophobicContact CB-CB 3.95Å; F52-K58 HydrophobicContact CD1-CB 3.97Å; F52-K58 HydrophobicContact CG-CB 4.1Å; F52-V59 HydrophobicContact CB-CG2 3.78Å; F52-V59 HydrophobicContact CD2-CG2 4.11Å; F52-V59 HydrophobicContact CG-CG2 4.34Å; F52-A62 HydrophobicContact CD2-CB 4.3Å; F52-A62 HydrophobicContact CE1-CB 4.11Å; F52-A62 HydrophobicContact CE2-CB 3.53Å; F52-A62 HydrophobicContact CZ-CB 3.41Å; F52-A62 VanDerWaalsContact CZ-CB 3.41Å; F52-P198 HydrophobicContact CE2-CG 4.27Å
53G84.3Confident87.7Confident26 Ų2643.4 Ų43.427%0.26821%0.208SC..THydrogen-bonded Turntrans6128.3176.500000114.1W49 H50 D55W49-G53 PolarHBondContact O-N 2.83Å; H50-G53 PolarHBondContact O-N 3.15Å; G53-D55 PolarHBondContact O-N 2.8Å
54G84.5Confident87.7Confident10 Ų1042.4 Ų42.410%0.10320%0.204CC..THydrogen-bonded Turntrans73.26.9-176.300000115.3W49 F52 K56W49-G54 VanDerWaalsContact CE2-CA 3.42Å; W49-G54 WeakPolarHBondContact CH2-O 3.18Å; W49-G54 WeakPolarHBondContact CZ2-O 3.42Å; W49-G54 PolarHBondContact O-N 3.19Å; F52-G54 PolarHBondContact O-N 3.49Å; G54-K56 PolarHBondContact O-N 3.24Å
55D88.3Confident87.8Confident59 Ų5943.5 Ų43.532%0.31621%0.211SC..  trans-66.8100.9175.9-178-30.1000110.2F52 G53 Q57 K58 V59F52-D55 VanDerWaalsContact O-CB 3.29Å; F52-D55 WeakPolarHBondContact O-CB 3.44Å; F52-D55 PolarHBondContact O-N 2.93Å; F52-D55 VanDerWaalsContact O-N 3.1Å; G53-D55 PolarHBondContact O-N 2.8Å; D55-Q57 PolarHBondContact O-N 3.07Å; D55-Q57 VanDerWaalsContact O-N 3.13Å; D55-Q57 PolarHBondContact OD1-N 3.26Å; D55-K58 HydrophobicContact CB-CB 4.03Å; D55-K58 HydrophobicContact CB-CD 3.96Å; D55-K58 HydrophobicContact CB-CG 4.15Å; D55-K58 PolarHBondContact O-N 2.76Å; D55-K58 VanDerWaalsContact O-N 3.1Å; D55-K58 PolarHBondContact OD1-N 2.95Å; D55-K58 VanDerWaalsContact OD2-CD 3.25Å; D55-K58 WeakPolarHBondContact OD2-CD 3.5Å; D55-K58 WeakPolarHBondContact OD2-CE 3.25Å; D55-K58 WeakPolarHBondContact OD2-CG 3.45Å; D55-K58 IonicContact OD2-NZ 3.39Å; D55-K58 PolarHBondContact OD2-NZ 3.13Å; D55-V59 WeakPolarHBondContact O-CG2 3.49Å; D55-V59 PolarHBondContact O-N 2.87Å
56K89.1Confident87.9Confident137 Ų13743.1 Ų43.160%0.59621%0.209SC*.Hα-helixtrans-50.3-39-178.7-71-175.8-180-176.30112.7L30 W49 G54 R60L30-K56 HydrophobicContact CD1-CB 3.97Å; L30-K56 HydrophobicContact CD1-CG 4.46Å; L30-K56 HydrophobicContact CD2-CB 4.28Å; L30-K56 HydrophobicContact CD2-CG 4.44Å; W49-K56 HydrophobicContact CH2-CG 3.74Å; W49-K56 HydrophobicContact CZ3-CG 4.08Å; G54-K56 PolarHBondContact O-N 3.24Å; K56-R60 WeakPolarHBondContact O-CB 3.34Å; K56-R60 PolarHBondContact O-N 2.88Å
57Q89.9Confident88Confident119 Ų11940.1 Ų40.156%0.55620%0.199SC*.Hα-helixtrans-73.8-42.3-177.7-176.660.813.200111.2D55 R60 V61D55-Q57 PolarHBondContact O-N 3.07Å; D55-Q57 VanDerWaalsContact O-N 3.13Å; D55-Q57 PolarHBondContact OD1-N 3.26Å; Q57-R60 PolarHBondContact O-N 3.23Å; Q57-V61 WeakPolarHBondContact O-CB 3.48Å; Q57-V61 VanDerWaalsContact O-CG2 3.27Å; Q57-V61 WeakPolarHBondContact O-CG2 3.32Å; Q57-V61 PolarHBondContact O-N 2.92Å
58K88.9Confident87.9Confident118 Ų11842.4 Ų42.451%0.51321%0.21SC..Hα-helixtrans-64.8-45175.2-70.7177.7-170.2158.40111.7F52 D55 R60 V61 A62F52-K58 HydrophobicContact CB-CB 3.95Å; F52-K58 HydrophobicContact CD1-CB 3.97Å; F52-K58 HydrophobicContact CG-CB 4.1Å; D55-K58 HydrophobicContact CB-CB 4.03Å; D55-K58 HydrophobicContact CB-CD 3.96Å; D55-K58 HydrophobicContact CB-CG 4.15Å; D55-K58 PolarHBondContact O-N 2.76Å; D55-K58 VanDerWaalsContact O-N 3.1Å; D55-K58 PolarHBondContact OD1-N 2.95Å; D55-K58 VanDerWaalsContact OD2-CD 3.25Å; D55-K58 WeakPolarHBondContact OD2-CD 3.5Å; D55-K58 WeakPolarHBondContact OD2-CE 3.25Å; D55-K58 WeakPolarHBondContact OD2-CG 3.45Å; D55-K58 IonicContact OD2-NZ 3.39Å; D55-K58 PolarHBondContact OD2-NZ 3.13Å; K58-R60 VanDerWaalsContact C-N 3.34Å; K58-R60 PolarHBondContact O-N 3.13Å; K58-V61 PolarHBondContact O-N 2.93Å; K58-A62 VanDerWaalsContact O-CB 3.24Å; K58-A62 WeakPolarHBondContact O-CB 3.49Å; K58-A62 PolarHBondContact O-N 2.79Å
59V88.8Confident88Confident0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-57.6-48.5175.3173.20000110.2I27 L30 W49 F52 D55 V61 A62 L63I27-V59 HydrophobicContact CD1-CG1 4.25Å; L30-V59 HydrophobicContact CD2-CG1 4.32Å; W49-V59 HydrophobicContact CE3-CG1 4.32Å; W49-V59 HydrophobicContact CE3-CG2 3.97Å; W49-V59 HydrophobicContact CZ3-CG2 4.43Å; F52-V59 HydrophobicContact CB-CG2 3.78Å; F52-V59 HydrophobicContact CD2-CG2 4.11Å; F52-V59 HydrophobicContact CG-CG2 4.34Å; D55-V59 WeakPolarHBondContact O-CG2 3.49Å; D55-V59 PolarHBondContact O-N 2.87Å; V59-V61 PolarHBondContact O-N 3.06Å; V59-A62 PolarHBondContact O-N 3.14Å; V59-L63 HydrophobicContact CG1-CD1 3.72Å; V59-L63 HydrophobicContact CG1-CG 4.38Å; V59-L63 WeakPolarHBondContact O-CB 3.39Å; V59-L63 PolarHBondContact O-N 3.04Å
60R90.6Very high87.9Confident103 Ų10342.6 Ų42.639%0.38921%0.214SC..Hα-helixtrans-57.2-48.1177.8175.1179.6173.7123.5-4.5112.4L30 K56 Q57 K58 N64L30-R60 HydrophobicContact CD1-CB 4.46Å; L30-R60 HydrophobicContact CG-CB 4.25Å; L30-R60 WeakPolarHBondContact O-CD 3.45Å; L30-R60 PolarHBondContact O-NH1 3.35Å; K56-R60 WeakPolarHBondContact O-CB 3.34Å; K56-R60 PolarHBondContact O-N 2.88Å; Q57-R60 PolarHBondContact O-N 3.23Å; K58-R60 VanDerWaalsContact C-N 3.34Å; K58-R60 PolarHBondContact O-N 3.13Å; R60-N64 VanDerWaalsContact O-CB 3.26Å; R60-N64 WeakPolarHBondContact O-CB 3.42Å; R60-N64 PolarHBondContact O-N 3.15Å; R60-N64 VanDerWaalsContact O-N 3.08Å; R60-N64 PolarHBondContact O-ND2 2.9Å
61V89.1Confident87.7Confident57 Ų5743 Ų4335%0.34523%0.229SC..Hα-helixtrans-67.3-45.5-178168.30000110.7Q57 K58 V59 C65 Y194Q57-V61 WeakPolarHBondContact O-CB 3.48Å; Q57-V61 VanDerWaalsContact O-CG2 3.27Å; Q57-V61 WeakPolarHBondContact O-CG2 3.32Å; Q57-V61 PolarHBondContact O-N 2.92Å; K58-V61 PolarHBondContact O-N 2.93Å; V59-V61 PolarHBondContact O-N 3.06Å; V61-C65 VanDerWaalsContact O-CB 3.29Å; V61-C65 WeakPolarHBondContact O-CB 3.29Å; V61-C65 PolarHBondContact O-N 2.9Å; V61-C65 PolarHBondContact O-SG 3Å; V61-Y194 VanDerWaalsContact CG1-OH 3.28Å; V61-Y194 WeakPolarHBondContact CG1-OH 3.41Å
62A87.6Confident87.7Confident2 Ų246 Ų462%0.01724%0.238CC..Hα-helixtrans-65.2-48.3-178.100000112W48 F52 K58 V59 C65 Y66W48-A62 HydrophobicContact CE3-CB 4.23Å; W48-A62 HydrophobicContact CZ3-CB 3.84Å; F52-A62 HydrophobicContact CD2-CB 4.3Å; F52-A62 HydrophobicContact CE1-CB 4.11Å; F52-A62 HydrophobicContact CE2-CB 3.53Å; F52-A62 HydrophobicContact CZ-CB 3.41Å; F52-A62 VanDerWaalsContact CZ-CB 3.41Å; K58-A62 VanDerWaalsContact O-CB 3.24Å; K58-A62 WeakPolarHBondContact O-CB 3.49Å; K58-A62 PolarHBondContact O-N 2.79Å; V59-A62 PolarHBondContact O-N 3.14Å; A62-C65 PolarHBondContact O-N 3.21Å; A62-Y66 PolarHBondContact O-N 3.15Å
63L88.9Confident87.5Confident9 Ų944.6 Ų44.65%0.04723%0.232CC..Hα-helixtrans-64.6-44.2177.7-77.5174.2000112.3I27 I31 M39 W48 V59 C65 Y66 I67I27-L63 HydrophobicContact CG2-CD1 3.77Å; I31-L63 HydrophobicContact CG2-CB 4.13Å; I31-L63 HydrophobicContact CG2-CD1 4.19Å; M39-L63 HydrophobicContact CE-CD2 3.84Å; W48-L63 HydrophobicContact CB-CD2 4.36Å; W48-L63 HydrophobicContact CD2-CD2 3.52Å; W48-L63 HydrophobicContact CD2-CG 4.25Å; W48-L63 HydrophobicContact CE3-CD2 3.56Å; W48-L63 HydrophobicContact CE3-CG 3.87Å; W48-L63 HydrophobicContact CG-CD2 3.89Å; W48-L63 HydrophobicContact CZ2-CD2 4.49Å; W48-L63 HydrophobicContact CZ3-CD2 4.1Å; W48-L63 HydrophobicContact CZ3-CG 4.44Å; V59-L63 HydrophobicContact CG1-CD1 3.72Å; V59-L63 HydrophobicContact CG1-CG 4.38Å; V59-L63 WeakPolarHBondContact O-CB 3.39Å; V59-L63 PolarHBondContact O-N 3.04Å; L63-C65 VanDerWaalsContact C-N 3.31Å; L63-C65 PolarHBondContact O-N 3.2Å; L63-Y66 PolarHBondContact O-N 3.36Å; L63-I67 WeakPolarHBondContact O-CB 3.34Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.15Å; L63-I67 PolarHBondContact O-N 3.14Å
64N89.3Confident86.8Confident20 Ų2051 Ų5111%0.10725%0.253CS..Hα-helixtrans-60.9-44.1176.3-85.8-53.6000111.2I31 R33 R60 Y66 I67 E68I31-N64 PolarHBondContact O-ND2 3.1Å; R33-N64 VanDerWaalsContact CD-OD1 3.28Å; R33-N64 WeakPolarHBondContact CD-OD1 3.4Å; R33-N64 PolarHBondContact NE-OD1 2.93Å; R60-N64 VanDerWaalsContact O-CB 3.26Å; R60-N64 WeakPolarHBondContact O-CB 3.42Å; R60-N64 PolarHBondContact O-N 3.15Å; R60-N64 VanDerWaalsContact O-N 3.08Å; R60-N64 PolarHBondContact O-ND2 2.9Å; N64-Y66 VanDerWaalsContact C-N 3.34Å; N64-Y66 PolarHBondContact O-N 3.06Å; N64-I67 PolarHBondContact O-N 3.3Å; N64-E68 WeakPolarHBondContact O-CB 3.11Å; N64-E68 VanDerWaalsContact O-CG 3.23Å; N64-E68 WeakPolarHBondContact O-CG 3.25Å; N64-E68 PolarHBondContact O-N 3.46Å
65C87.9Confident85.8Confident26 Ų2652.7 Ų52.718%0.17626%0.259CS..Hα-helixtrans-62-41.9177.4-74.10000111.8V61 A62 L63 N69 Y194 F195V61-C65 VanDerWaalsContact O-CB 3.29Å; V61-C65 WeakPolarHBondContact O-CB 3.29Å; V61-C65 PolarHBondContact O-N 2.9Å; V61-C65 PolarHBondContact O-SG 3Å; A62-C65 PolarHBondContact O-N 3.21Å; L63-C65 VanDerWaalsContact C-N 3.31Å; L63-C65 PolarHBondContact O-N 3.2Å; C65-N69 WeakPolarHBondContact O-CB 3.32Å; C65-N69 PolarHBondContact O-N 3.32Å; C65-N69 PolarHBondContact O-ND2 3.19Å; C65-Y194 HydrophobicContact CB-CE1 3.59Å; C65-Y194 PolarHBondContact SG-OH 3.36Å; C65-Y194 VanDerWaalsContact SG-OH 3.4Å; C65-F195 HydrophobicContact CB-CE1 4.14Å
66Y89.2Confident84.8Confident6 Ų657.8 Ų57.82%0.02429%0.286CS..Hα-helixtrans-60.7-54.3174.3174.3-97.7000111.8M39 W48 A62 L63 N64 E68 N69 V70 E141 F144 F195 Y196M39-Y66 HydrophobicContact CE-CD1 3.74Å; M39-Y66 HydrophobicContact CE-CE1 3.74Å; M39-Y66 HydrophobicContact CG-CE1 4.45Å; M39-Y66 HydrophobicContact SD-CD1 3.63Å; M39-Y66 HydrophobicContact SD-CE1 3.26Å; M39-Y66 WeakPolarHBondContact SD-CE1 3.44Å; W48-Y66 HydrophobicContact CH2-CD2 4.26Å; W48-Y66 AromaticContact CH2-CG 3.97Å; W48-Y66 HydrophobicContact CH2-CG 3.97Å; W48-Y66 HydrophobicContact CZ2-CD2 4.32Å; W48-Y66 HydrophobicContact CZ2-CG 4.13Å; A62-Y66 PolarHBondContact O-N 3.15Å; L63-Y66 PolarHBondContact O-N 3.36Å; N64-Y66 VanDerWaalsContact C-N 3.34Å; N64-Y66 PolarHBondContact O-N 3.06Å; Y66-E68 VanDerWaalsContact C-N 3.27Å; Y66-E68 PolarHBondContact O-N 3.1Å; Y66-N69 PolarHBondContact O-N 3.33Å; Y66-V70 HydrophobicContact CE1-CB 3.94Å; Y66-V70 HydrophobicContact CE1-CG1 4.25Å; Y66-V70 HydrophobicContact CE1-CG2 4.09Å; Y66-V70 HydrophobicContact CE2-CB 4.23Å; Y66-V70 HydrophobicContact CE2-CG2 4.34Å; Y66-V70 PolarHBondContact O-N 2.95Å; Y66-V70 WeakPolarHBondContact OH-CG2 3.13Å; Y66-E141 WeakPolarHBondContact CE2-OE1 3.39Å; Y66-E141 PolarHBondContact OH-OE1 2.92Å; Y66-E141 PolarHBondContact OH-OE2 3.25Å; Y66-F144 HydrophobicContact CE1-CE1 4.37Å; Y66-F144 WeakPolarHBondContact OH-CD1 3.44Å; Y66-F144 WeakPolarHBondContact OH-CE1 3.39Å; Y66-F195 HydrophobicContact CD2-CB 4.19Å; Y66-F195 HydrophobicContact CD2-CG 4.47Å; Y66-Y196 HydrophobicContact CD2-CE1 4.4Å; Y66-Y196 AromaticContact CE2-CE1 3.68Å; Y66-Y196 HydrophobicContact CE2-CE1 3.68Å
67I89.4Confident83.9Confident27 Ų2752.7 Ų52.714%0.13827%0.273CS..Hα-helixtrans-61.7-34.8-175.8-66.9167.8000111.7I31 V35 P36 L63 N64 N69I31-I67 HydrophobicContact CD1-CD1 3.65Å; V35-I67 HydrophobicContact CG2-CD1 4.41Å; P36-I67 HydrophobicContact CG-CG1 4.25Å; P36-I67 HydrophobicContact CG-CG2 4.47Å; L63-I67 WeakPolarHBondContact O-CB 3.34Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.15Å; L63-I67 PolarHBondContact O-N 3.14Å; N64-I67 PolarHBondContact O-N 3.3Å; I67-N69 PolarHBondContact O-N 3.4Å
68E88.1Confident83Confident58 Ų5850.3 Ų50.327%0.27126%0.264SS..Hα-helixtrans-66.3-26.9174.9-74.1-179.9172.800113.3R33 N64 Y66 F72 L343 R347R33-E68 IonicContact CZ-OE1 2.76Å; R33-E68 IonicContact NH1-OE1 3.82Å; R33-E68 PolarHBondContact NH1-OE1 3.12Å; R33-E68 IonicContact NH2-OE1 2.58Å; R33-E68 PolarHBondContact NH2-OE1 2.9Å; N64-E68 WeakPolarHBondContact O-CB 3.11Å; N64-E68 VanDerWaalsContact O-CG 3.23Å; N64-E68 WeakPolarHBondContact O-CG 3.25Å; N64-E68 PolarHBondContact O-N 3.46Å; Y66-E68 VanDerWaalsContact C-N 3.27Å; Y66-E68 PolarHBondContact O-N 3.1Å; E68-F72 WeakPolarHBondContact O-CE2 3.5Å; E68-L343 HydrophobicContact CB-CD2 4.42Å; E68-R347 IonicContact OE2-CZ 2.78Å; E68-R347 IonicContact OE2-NH1 3.62Å; E68-R347 PolarHBondContact OE2-NH1 2.81Å
69N89.1Confident82.4Confident2 Ų247.1 Ų47.11%0.01125%0.254CS..Hα-helixtrans-104.8-30.5-170.9-77.9-74.8000113.6C65 Y66 I67 G71 F72 F73 F195 P346 R347C65-N69 WeakPolarHBondContact O-CB 3.32Å; C65-N69 PolarHBondContact O-N 3.32Å; C65-N69 PolarHBondContact O-ND2 3.19Å; Y66-N69 PolarHBondContact O-N 3.33Å; I67-N69 PolarHBondContact O-N 3.4Å; N69-G71 PolarHBondContact O-N 3.43Å; N69-G71 VanDerWaalsContact O-N 3.08Å; N69-F72 WeakPolarHBondContact O-CB 3.35Å; N69-F72 WeakPolarHBondContact O-CD2 3.44Å; N69-F72 PolarHBondContact O-N 3.1Å; N69-F73 HydrophobicContact CB-CE2 4.11Å; N69-F73 WeakPolarHBondContact O-CD2 3.45Å; N69-F73 WeakPolarHBondContact O-CE2 3.35Å; N69-F195 HydrophobicContact CB-CE2 4.05Å; N69-F195 HydrophobicContact CB-CZ 3.85Å; N69-P346 WeakPolarHBondContact OD1-CA 3.32Å; N69-P346 WeakPolarHBondContact OD1-CB 3.36Å; N69-R347 PolarHBondContact OD1-N 3.07Å
70V84.7Confident81.9Confident27 Ų2747.2 Ų47.216%0.16425%0.254CS..Hα-helixtrans-53.1-36.4-175.964.70000112.7Y66 F72 F73 E141Y66-V70 HydrophobicContact CE1-CB 3.94Å; Y66-V70 HydrophobicContact CE1-CG1 4.25Å; Y66-V70 HydrophobicContact CE1-CG2 4.09Å; Y66-V70 HydrophobicContact CE2-CB 4.23Å; Y66-V70 HydrophobicContact CE2-CG2 4.34Å; Y66-V70 PolarHBondContact O-N 2.95Å; Y66-V70 WeakPolarHBondContact OH-CG2 3.13Å; V70-F72 PolarHBondContact O-N 2.85Å; V70-F73 PolarHBondContact O-N 3.4Å; V70-E141 WeakPolarHBondContact CG2-OE2 3.49Å
71G82.3Confident81.2Confident45 Ų4544.2 Ų44.246%0.46425%0.245SC..THydrogen-bonded Turntrans-59.4-21.7179.200000114.8N69N69-G71 PolarHBondContact O-N 3.43Å; N69-G71 VanDerWaalsContact O-N 3.08Å
72F86.6Confident80.8Confident78 Ų7847.4 Ų47.434%0.34226%0.256SS..THydrogen-bonded Turntrans-88.7-14.3179.2-64.1-80.4000114E68 N69 V70 L343 V344 P346E68-F72 WeakPolarHBondContact O-CE2 3.5Å; N69-F72 WeakPolarHBondContact O-CB 3.35Å; N69-F72 WeakPolarHBondContact O-CD2 3.44Å; N69-F72 PolarHBondContact O-N 3.1Å; V70-F72 PolarHBondContact O-N 2.85Å; F72-L343 HydrophobicContact CE2-CB 4.33Å; F72-L343 HydrophobicContact CE2-CD2 3.72Å; F72-L343 HydrophobicContact CE2-CG 3.87Å; F72-L343 HydrophobicContact CZ-CB 4.26Å; F72-L343 HydrophobicContact CZ-CD2 4.31Å; F72-L343 HydrophobicContact CZ-CG 3.95Å; F72-V344 VanDerWaalsContact CE1-C 3.44Å; F72-V344 WeakPolarHBondContact CE1-O 3.5Å; F72-P346 HydrophobicContact CB-CB 4.01Å; F72-P346 HydrophobicContact CB-CG 4.06Å; F72-P346 HydrophobicContact CD2-CB 3.92Å; F72-P346 HydrophobicContact CG-CB 3.94Å; F72-P346 HydrophobicContact CG-CG 4.16Å
73F80.9Confident80.7Confident8 Ų848.1 Ų48.14%0.03526%0.259CS..SBendtrans-116.217.1-172.5-55.3-66.3000112.9N69 V70 L75 K134 V137 V138 E141 P346 L348N69-F73 HydrophobicContact CB-CE2 4.11Å; N69-F73 WeakPolarHBondContact O-CD2 3.45Å; N69-F73 WeakPolarHBondContact O-CE2 3.35Å; V70-F73 PolarHBondContact O-N 3.4Å; F73-L75 PolarHBondContact O-N 3.23Å; F73-K134 HydrophobicContact CE1-CB 4.26Å; F73-K134 HydrophobicContact CE1-CG 3.98Å; F73-V137 HydrophobicContact CB-CG1 4.04Å; F73-V137 HydrophobicContact CD1-CB 4.35Å; F73-V137 HydrophobicContact CD1-CG1 3.83Å; F73-V137 HydrophobicContact CD2-CG1 3.32Å; F73-V137 HydrophobicContact CE1-CB 4.44Å; F73-V137 HydrophobicContact CE1-CG1 4.13Å; F73-V137 HydrophobicContact CE2-CG1 3.65Å; F73-V137 HydrophobicContact CG-CB 4.39Å; F73-V137 HydrophobicContact CG-CG1 3.42Å; F73-V137 VanDerWaalsContact CG-CG1 3.42Å; F73-V137 HydrophobicContact CZ-CG1 4.04Å; F73-V138 HydrophobicContact CB-CG2 4.47Å; F73-V138 HydrophobicContact CD1-CG2 4.35Å; F73-E141 HydrophobicContact CB-CG 3.97Å; F73-P346 HydrophobicContact CE1-CG 4.21Å; F73-P346 HydrophobicContact CE2-CB 3.8Å; F73-P346 HydrophobicContact CE2-CG 4.35Å; F73-P346 HydrophobicContact CZ-CB 3.49Å; F73-P346 VanDerWaalsContact CZ-CB 3.49Å; F73-P346 HydrophobicContact CZ-CG 3.59Å; F73-L348 HydrophobicContact CZ-CD2 3.85Å
74K69.4Low80.6Confident161 Ų16151.1 Ų51.170%0.728%0.281SS*.  trans-50.5133.7177.6-69.3-172.2178.1-172.40110.1
75L64.8Low80.5Confident44 Ų4453.2 Ų53.223%0.2329%0.288CS..  trans-84.5130.3179.2-63171.9000109.1F73 G77 V138 E141F73-L75 PolarHBondContact O-N 3.23Å; L75-G77 WeakPolarHBondContact CB-O 3.37Å; L75-G77 PolarHBondContact O-N 3.39Å; L75-V138 HydrophobicContact CD2-CG1 3.6Å; L75-E141 HydrophobicContact CD1-CB 4.13Å; L75-E141 HydrophobicContact CD2-CB 4.48Å; L75-E141 HydrophobicContact CG-CB 4.21Å
76D66.1Low80.5Confident166 Ų16652 Ų5289%0.88828%0.28SS*.SBendtrans-67.9-13.5165.9-62.4-39.2000111.5
77G70.3Confident80.4Confident30 Ų3057 Ų5731%0.30930%0.302SS..  trans179.9173.5176.800000114.3L75 V79L75-G77 WeakPolarHBondContact CB-O 3.37Å; L75-G77 PolarHBondContact O-N 3.39Å; G77-V79 PolarHBondContact O-N 3.03Å
78L71.5Confident80.4Confident70 Ų7060.6 Ų60.637%0.36632%0.316SS..SBendtrans-87.129.9178.3-64.4-179.8000113Y142 A145L78-Y142 VanDerWaalsContact O-CE2 3.26Å; L78-Y142 WeakPolarHBondContact O-CE2 3.41Å; L78-A145 HydrophobicContact CD2-CB 3.62Å
79V76.8Confident80.5Confident50 Ų5057.9 Ų57.930%0.30330%0.303SS..  trans-119.3109.5-177.9-176.60000108.2G77 Q81 E82G77-V79 PolarHBondContact O-N 3.03Å; V79-Q81 HydrophobicContact CG1-CB 4.36Å; V79-Q81 PolarHBondContact O-N 3.34Å; V79-E82 HydrophobicContact CB-CB 4.23Å; V79-E82 HydrophobicContact CB-CG 3.94Å; V79-E82 HydrophobicContact CG1-CB 4.37Å; V79-E82 HydrophobicContact CG1-CG 3.76Å; V79-E82 PolarHBondContact O-N 3.03Å; V79-E82 VanDerWaalsContact O-N 3.08Å
80I78.7Confident80.5Confident3 Ų358.5 Ų58.52%0.01531%0.306CS..G310 helixtrans-51.9-41.4-179.2-78174.8000110.9E82 N83 L86 M90 F95 L139 Y142I80-E82 PolarHBondContact O-N 3.41Å; I80-N83 PolarHBondContact O-N 3.2Å; I80-L86 HydrophobicContact CB-CD1 4.2Å; I80-L86 HydrophobicContact CG1-CD1 4.18Å; I80-L86 HydrophobicContact CG2-CB 4.4Å; I80-L86 HydrophobicContact CG2-CD1 3.96Å; I80-L86 WeakPolarHBondContact O-CB 2.99Å; I80-M90 HydrophobicContact CG2-CE 3.87Å; I80-F95 HydrophobicContact CD1-CB 4.22Å; I80-F95 HydrophobicContact CG2-CB 4.12Å; I80-F95 HydrophobicContact CG2-CD2 4.43Å; I80-F95 HydrophobicContact CG2-CG 4.37Å; I80-L139 HydrophobicContact CD1-CD1 4.06Å; I80-Y142 HydrophobicContact CD1-CD1 3.86Å; I80-Y142 HydrophobicContact CD1-CE1 3.55Å; I80-Y142 HydrophobicContact CD1-CE2 4.44Å; I80-Y142 HydrophobicContact CD1-CG 4.42Å; I80-Y142 HydrophobicContact CG1-CD1 3.92Å; I80-Y142 HydrophobicContact CG1-CD2 4Å; I80-Y142 HydrophobicContact CG1-CE1 3.89Å; I80-Y142 HydrophobicContact CG1-CE2 3.95Å; I80-Y142 HydrophobicContact CG1-CG 3.96Å
81Q75.7Confident80.7Confident40 Ų4058.1 Ų58.119%0.18731%0.305CS..G310 helixtrans-73.1-12.1-173.6-55.682.3-1.900113.2V79 K87 A97V79-Q81 HydrophobicContact CG1-CB 4.36Å; V79-Q81 PolarHBondContact O-N 3.34Å; Q81-K87 WeakPolarHBondContact O-CE 3.39Å; Q81-K87 WeakPolarHBondContact O-CG 3.2Å; Q81-A97 PolarHBondContact NE2-O 2.94Å; Q81-A97 VanDerWaalsContact NE2-O 3.16Å
82E80.2Confident81.1Confident123 Ų12356.1 Ų56.158%0.57528%0.283SS*.G310 helixtrans-91.3-25.9-179-71.2178.8-179.900112.4V79 I80 K87V79-E82 HydrophobicContact CB-CB 4.23Å; V79-E82 HydrophobicContact CB-CG 3.94Å; V79-E82 HydrophobicContact CG1-CB 4.37Å; V79-E82 HydrophobicContact CG1-CG 3.76Å; V79-E82 PolarHBondContact O-N 3.03Å; V79-E82 VanDerWaalsContact O-N 3.08Å; I80-E82 PolarHBondContact O-N 3.41Å; E82-K87 VanDerWaalsContact O-CE 3.27Å; E82-K87 WeakPolarHBondContact O-CE 3.08Å; E82-K87 PolarHBondContact O-NZ 3.23Å; E82-K87 VanDerWaalsContact O-NZ 3.09Å
83N85.4Confident81.3Confident18 Ų1853.1 Ų53.110%0.09627%0.27CS..  trans-70.4133.1-175.9-174.7-80000113I80 Y85 L86 K87 V138I80-N83 PolarHBondContact O-N 3.2Å; N83-Y85 VanDerWaalsContact C-N 3.33Å; N83-Y85 PolarHBondContact O-N 3.41Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.48Å; N83-Y85 PolarHBondContact OD1-N 3.2Å; N83-L86 HydrophobicContact CB-CB 4.19Å; N83-L86 HydrophobicContact CB-CD1 4.14Å; N83-L86 HydrophobicContact CB-CG 4.31Å; N83-L86 PolarHBondContact O-N 3.26Å; N83-L86 PolarHBondContact OD1-N 2.93Å; N83-K87 WeakPolarHBondContact O-CB 3.24Å; N83-K87 VanDerWaalsContact O-CG 3.27Å; N83-K87 WeakPolarHBondContact O-CG 3.27Å; N83-K87 PolarHBondContact O-N 2.78Å; N83-V138 HydrophobicContact CB-CG1 4.15Å; N83-V138 VanDerWaalsContact ND2-CG1 3.35Å; N83-V138 WeakPolarHBondContact ND2-CG1 3.33Å
84S86.3Confident81.7Confident71 Ų7153.6 Ų53.650%0.49727%0.272SS..Hα-helixtrans-64.1-30.8-174.962.10000114.5K88S84-K88 WeakPolarHBondContact O-CG 3.24Å
85Y87.6Confident82.6Confident64 Ų6446.1 Ų46.125%0.25124%0.239SC..Hα-helixtrans-80.6-43.1176.8-63.6-72.2000111.6N83 K88 K134 V138N83-Y85 VanDerWaalsContact C-N 3.33Å; N83-Y85 PolarHBondContact O-N 3.41Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.48Å; N83-Y85 PolarHBondContact OD1-N 3.2Å; Y85-K88 WeakPolarHBondContact O-CB 3.49Å; Y85-K88 PolarHBondContact O-N 3.16Å; Y85-K134 HydrophobicContact CD1-CB 3.91Å; Y85-K134 HydrophobicContact CD1-CD 4.17Å; Y85-K134 HydrophobicContact CE1-CB 4.05Å; Y85-K134 HydrophobicContact CE1-CD 3.46Å; Y85-K134 VanDerWaalsContact CE1-CD 3.46Å; Y85-K134 HydrophobicContact CE1-CG 4.4Å; Y85-K134 HydrophobicContact CG-CB 4.15Å; Y85-V138 HydrophobicContact CD2-CG2 4.14Å
86L88.1Confident83.6Confident2 Ų244 Ų441%0.0123%0.228CC..Hα-helixtrans-66-38.9177.5-68.8174000111.8I80 N83 K88 L89 M90 A135 V138 L139I80-L86 HydrophobicContact CB-CD1 4.2Å; I80-L86 HydrophobicContact CG1-CD1 4.18Å; I80-L86 HydrophobicContact CG2-CB 4.4Å; I80-L86 HydrophobicContact CG2-CD1 3.96Å; I80-L86 WeakPolarHBondContact O-CB 2.99Å; N83-L86 HydrophobicContact CB-CB 4.19Å; N83-L86 HydrophobicContact CB-CD1 4.14Å; N83-L86 HydrophobicContact CB-CG 4.31Å; N83-L86 PolarHBondContact O-N 3.26Å; N83-L86 PolarHBondContact OD1-N 2.93Å; L86-K88 PolarHBondContact O-N 3.42Å; L86-K88 VanDerWaalsContact O-N 3.17Å; L86-L89 WeakPolarHBondContact O-CA 3.41Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 2.74Å; L86-M90 HydrophobicContact CB-CE 4.07Å; L86-M90 WeakPolarHBondContact O-CE 3.33Å; L86-M90 PolarHBondContact O-N 3.34Å; L86-A135 HydrophobicContact CD2-CB 4.36Å; L86-A135 VanDerWaalsContact CD2-O 3.27Å; L86-A135 WeakPolarHBondContact CD2-O 3.5Å; L86-V138 HydrophobicContact CD1-CG1 3.68Å; L86-V138 HydrophobicContact CG-CG1 3.91Å; L86-L139 HydrophobicContact CD2-CB 4.11Å
87K87.5Confident83.7Confident111 Ų11136.3 Ų36.348%0.48319%0.188SC..Hα-helixtrans-51.3-38.7172-81.1176.4-179.3168.60112.7Q81 E82 N83 L89 M90Q81-K87 WeakPolarHBondContact O-CE 3.39Å; Q81-K87 WeakPolarHBondContact O-CG 3.2Å; E82-K87 VanDerWaalsContact O-CE 3.27Å; E82-K87 WeakPolarHBondContact O-CE 3.08Å; E82-K87 PolarHBondContact O-NZ 3.23Å; E82-K87 VanDerWaalsContact O-NZ 3.09Å; N83-K87 WeakPolarHBondContact O-CB 3.24Å; N83-K87 VanDerWaalsContact O-CG 3.27Å; N83-K87 WeakPolarHBondContact O-CG 3.27Å; N83-K87 PolarHBondContact O-N 2.78Å; K87-L89 VanDerWaalsContact C-N 3.28Å; K87-L89 PolarHBondContact O-N 3.26Å; K87-M90 PolarHBondContact O-N 2.86Å
88K88.9Confident84.1Confident101 Ų10142.1 Ų42.144%0.43920%0.2SC..Hα-helixtrans-70.3-22.8177.5-66.8175.9-177.4179.70113.1S84 Y85 L86 L127 T131S84-K88 WeakPolarHBondContact O-CG 3.24Å; Y85-K88 WeakPolarHBondContact O-CB 3.49Å; Y85-K88 PolarHBondContact O-N 3.16Å; L86-K88 PolarHBondContact O-N 3.42Å; L86-K88 VanDerWaalsContact O-N 3.17Å; K88-L127 HydrophobicContact CB-CD2 3.97Å; K88-T131 HydrophobicContact CB-CG2 4.29Å; K88-T131 HydrophobicContact CD-CG2 3.67Å
89L89.7Confident84.5Confident1 Ų141.2 Ų41.21%0.00520%0.199CC..Hα-helixtrans-84.4-20.7174.1-73-169.7000113.9L86 K87 P91 F92 F93 F95 M123 L127 V132 A135 F136L86-L89 WeakPolarHBondContact O-CA 3.41Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 2.74Å; K87-L89 VanDerWaalsContact C-N 3.28Å; K87-L89 PolarHBondContact O-N 3.26Å; L89-P91 VanDerWaalsContact C-N 3.3Å; L89-F92 WeakPolarHBondContact O-CA 3.39Å; L89-F92 PolarHBondContact O-N 2.86Å; L89-F93 HydrophobicContact CB-CD2 4.29Å; L89-F93 HydrophobicContact CD1-CD2 4.43Å; L89-F93 HydrophobicContact CD2-CD2 4.4Å; L89-F93 HydrophobicContact CD2-CE2 4.44Å; L89-F93 PolarHBondContact O-N 2.84Å; L89-F95 HydrophobicContact CB-CE2 4.43Å; L89-M123 HydrophobicContact CD2-CE 4.44Å; L89-L127 HydrophobicContact CD2-CD1 3.79Å; L89-V132 HydrophobicContact CD2-CG1 4.41Å; L89-V132 HydrophobicContact CD2-CG2 4.25Å; L89-A135 HydrophobicContact CD1-CB 3.34Å; L89-A135 HydrophobicContact CD2-CB 4.45Å; L89-A135 HydrophobicContact CG-CB 3.6Å; L89-F136 HydrophobicContact CD1-CD2 3.96Å; L89-F136 HydrophobicContact CD1-CE2 3.92Å
90M88.4Confident84.9Confident15 Ų1541 Ų417%0.07420%0.195CC..THydrogen-bonded Turntrans-54.1-33.8-176.2-64-60.3119.700115.3I80 L86 K87 F92 F93 F95 T278I80-M90 HydrophobicContact CG2-CE 3.87Å; L86-M90 HydrophobicContact CB-CE 4.07Å; L86-M90 WeakPolarHBondContact O-CE 3.33Å; L86-M90 PolarHBondContact O-N 3.34Å; K87-M90 PolarHBondContact O-N 2.86Å; M90-F92 PolarHBondContact O-N 2.61Å; M90-F93 CarbonylContact C-O 3.52Å; M90-F93 WeakPolarHBondContact CA-O 3.38Å; M90-F93 VanDerWaalsContact O-O 3.12Å; M90-F95 HydrophobicContact CE-CD2 3.21Å; M90-F95 HydrophobicContact CE-CE2 3.43Å; M90-F95 VanDerWaalsContact CE-CE2 3.43Å; M90-F95 HydrophobicContact CE-CG 4.33Å; M90-F95 HydrophobicContact SD-CD2 3.94Å; M90-F95 HydrophobicContact SD-CE2 4.47Å; M90-T278 HydrophobicContact CB-CG2 4.46Å
91P88.9Confident85.5Confident20 Ų2041.3 Ų41.313%0.1320%0.197CC..THydrogen-bonded Turntrans-65.7-15.1174-23.635.2000114.8L89 N119 T278 L280L89-P91 VanDerWaalsContact C-N 3.3Å; P91-N119 WeakPolarHBondContact O-CB 3.48Å; P91-N119 PolarHBondContact O-ND2 3.05Å; P91-T278 HydrophobicContact CG-CG2 4.03Å; P91-L280 HydrophobicContact CB-CD1 3.57Å
92F90.7Very high86.4Confident2 Ų241 Ų411%0.00920%0.196CC..THydrogen-bonded Turntrans-113.8-27.3-175.7-50.6-76000113L89 M90 K116 N119 M120 A122 M123 M126 L127 L280L89-F92 WeakPolarHBondContact O-CA 3.39Å; L89-F92 PolarHBondContact O-N 2.86Å; M90-F92 PolarHBondContact O-N 2.61Å; F92-K116 PolarHBondContact O-N 3.34Å; F92-N119 HydrophobicContact CD1-CB 4.03Å; F92-N119 VanDerWaalsContact CD1-O 3.31Å; F92-N119 WeakPolarHBondContact CD1-O 3.41Å; F92-N119 HydrophobicContact CE1-CB 4.43Å; F92-N119 VanDerWaalsContact CE1-O 3.27Å; F92-N119 WeakPolarHBondContact CE1-O 3.48Å; F92-M120 HydrophobicContact CB-CE 4.09Å; F92-M120 HydrophobicContact CB-SD 4.29Å; F92-M120 WeakPolarHBondContact O-CE 3.25Å; F92-A122 HydrophobicContact CE1-CB 4.48Å; F92-M123 HydrophobicContact CB-CE 3.43Å; F92-M123 VanDerWaalsContact CB-CE 3.43Å; F92-M123 HydrophobicContact CD1-CB 3.8Å; F92-M123 HydrophobicContact CD1-CE 4.03Å; F92-M123 HydrophobicContact CD1-CG 4.38Å; F92-M123 HydrophobicContact CD2-CE 3.92Å; F92-M123 HydrophobicContact CD2-CG 4.25Å; F92-M123 VanDerWaalsContact CE1-CA 3.49Å; F92-M123 HydrophobicContact CE1-CB 3.63Å; F92-M123 HydrophobicContact CE1-CG 4.32Å; F92-M123 HydrophobicContact CE2-CB 4.37Å; F92-M123 HydrophobicContact CE2-CG 4.19Å; F92-M123 HydrophobicContact CG-CB 4.25Å; F92-M123 HydrophobicContact CG-CE 3.51Å; F92-M123 HydrophobicContact CG-CG 4.34Å; F92-M123 HydrophobicContact CZ-CB 3.94Å; F92-M123 HydrophobicContact CZ-CG 4.22Å; F92-M126 HydrophobicContact CZ-CB 4.27Å; F92-M126 HydrophobicContact CZ-SD 4.05Å; F92-L127 HydrophobicContact CD2-CD1 4.14Å; F92-L127 HydrophobicContact CE2-CD1 3.73Å; F92-L127 HydrophobicContact CE2-CG 4.1Å; F92-L280 HydrophobicContact CE1-CD1 3.79Å; F92-L280 HydrophobicContact CZ-CD1 3.75Å
93F91.2Very high87.1Confident16 Ų1635.2 Ų35.27%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-136134.9-179-63.8-83.5000110.2L89 M90 F95 V113 P115 M120 M123 F136 L185L89-F93 HydrophobicContact CB-CD2 4.29Å; L89-F93 HydrophobicContact CD1-CD2 4.43Å; L89-F93 HydrophobicContact CD2-CD2 4.4Å; L89-F93 HydrophobicContact CD2-CE2 4.44Å; L89-F93 PolarHBondContact O-N 2.84Å; M90-F93 CarbonylContact C-O 3.52Å; M90-F93 WeakPolarHBondContact CA-O 3.38Å; M90-F93 VanDerWaalsContact O-O 3.12Å; F93-F95 HydrophobicContact CB-CD2 4.11Å; F93-F95 HydrophobicContact CB-CE1 4.35Å; F93-F95 HydrophobicContact CB-CE2 3.36Å; F93-F95 HydrophobicContact CB-CZ 3.51Å; F93-F95 HydrophobicContact CD2-CZ 4.46Å; F93-F95 HydrophobicContact CG-CE2 4.32Å; F93-F95 HydrophobicContact CG-CZ 4.03Å; F93-V113 HydrophobicContact CD1-CG1 4Å; F93-P115 HydrophobicContact CD1-CB 3.93Å; F93-P115 HydrophobicContact CE1-CB 3.87Å; F93-M120 HydrophobicContact CD1-CE 4.23Å; F93-M120 HydrophobicContact CD2-CE 4.47Å; F93-M120 HydrophobicContact CE1-CE 3.76Å; F93-M120 HydrophobicContact CE2-CE 4.05Å; F93-M120 HydrophobicContact CE2-SD 4.24Å; F93-M120 HydrophobicContact CZ-CE 3.65Å; F93-M120 HydrophobicContact CZ-SD 3.99Å; F93-M123 HydrophobicContact CD2-CE 4.25Å; F93-M123 HydrophobicContact CE2-CE 3.51Å; F93-M123 HydrophobicContact CZ-CE 4.24Å; F93-F136 HydrophobicContact CE2-CE2 4.44Å; F93-F136 HydrophobicContact CZ-CZ 4.43Å; F93-L185 HydrophobicContact CE2-CD2 4.1Å; F93-L185 HydrophobicContact CZ-CD1 4.41Å; F93-L185 HydrophobicContact CZ-CD2 3.67Å
94R89.6Confident87.6Confident17 Ų1739.5 Ų39.56%0.06420%0.196CC..EExtended strand (participates in β ladder)trans-102128.9166-60.2-175.9-70.4142.2-16108.5K114 E168 D272 V274 A275R94-K114 HydrophobicContact CB-CB 4.31Å; R94-K114 PolarHBondContact N-O 3.04Å; R94-K114 PolarHBondContact O-N 3.35Å; R94-E168 IonicContact CZ-OE1 3.34Å; R94-E168 IonicContact CZ-OE2 3.99Å; R94-E168 IonicContact NE-OE2 2.95Å; R94-E168 IonicContact NH2-OE1 2.69Å; R94-E168 PolarHBondContact NH2-OE1 3.49Å; R94-E168 IonicContact NH2-OE2 2.72Å; R94-E168 PolarHBondContact NH2-OE2 2.84Å; R94-D272 IonicContact NH1-OD2 3.75Å; R94-V274 HydrophobicContact CB-CB 4Å; R94-V274 HydrophobicContact CB-CG2 3.93Å; R94-A275 VanDerWaalsContact CD-O 3.28Å; R94-A275 WeakPolarHBondContact CD-O 3.06Å
95F89.5Confident87.9Confident4 Ų439.5 Ų39.52%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-109.5157.8-179.1-61-90.8000110.2I80 L89 M90 F93 A97 L112 V113 L139 V274 A275I80-F95 HydrophobicContact CD1-CB 4.22Å; I80-F95 HydrophobicContact CG2-CB 4.12Å; I80-F95 HydrophobicContact CG2-CD2 4.43Å; I80-F95 HydrophobicContact CG2-CG 4.37Å; L89-F95 HydrophobicContact CB-CE2 4.43Å; M90-F95 HydrophobicContact CE-CD2 3.21Å; M90-F95 HydrophobicContact CE-CE2 3.43Å; M90-F95 VanDerWaalsContact CE-CE2 3.43Å; M90-F95 HydrophobicContact CE-CG 4.33Å; M90-F95 HydrophobicContact SD-CD2 3.94Å; M90-F95 HydrophobicContact SD-CE2 4.47Å; F93-F95 HydrophobicContact CB-CD2 4.11Å; F93-F95 HydrophobicContact CB-CE1 4.35Å; F93-F95 HydrophobicContact CB-CE2 3.36Å; F93-F95 HydrophobicContact CB-CZ 3.51Å; F93-F95 HydrophobicContact CD2-CZ 4.46Å; F93-F95 HydrophobicContact CG-CE2 4.32Å; F93-F95 HydrophobicContact CG-CZ 4.03Å; F95-A97 PolarHBondContact O-N 3.4Å; F95-L112 CarbonylContact C-O 3.55Å; F95-L112 VanDerWaalsContact CA-O 3.28Å; F95-L112 WeakPolarHBondContact CA-O 3.24Å; F95-V113 HydrophobicContact CD1-CG1 4.37Å; F95-V113 HydrophobicContact CD1-CG2 4.04Å; F95-V113 HydrophobicContact CE1-CG1 4.08Å; F95-V113 HydrophobicContact CE1-CG2 4.21Å; F95-L139 HydrophobicContact CD1-CD1 4.35Å; F95-L139 HydrophobicContact CD1-CD2 4.37Å; F95-L139 HydrophobicContact CE1-CD1 4.41Å; F95-L139 HydrophobicContact CE1-CD2 3.73Å; F95-V274 CarbonylContact O-C 3.54Å; F95-V274 VanDerWaalsContact O-CA 3.26Å; F95-V274 WeakPolarHBondContact O-CA 3.4Å; F95-V274 WeakPolarHBondContact O-CB 3.39Å; F95-A275 PolarHBondContact O-N 3.23Å
96S85.1Confident88.2Confident1 Ų138.1 Ų38.11%0.00719%0.187CC..BIsolated β-bridgetrans-49.6134.3171.6430000111.7L112 W260 A273S96-L112 PolarHBondContact N-O 3.3Å; S96-L112 PolarHBondContact OG-N 3.17Å; S96-W260 VanDerWaalsContact CB-CH2 3.46Å; S96-A273 WeakPolarHBondContact CA-O 3.27Å
97A68.4Low88.5Confident4 Ų438.9 Ų38.93%0.03319%0.191CC..SBendtrans-67.5-50.3-174.800000113.3Q81 F95 E262 Y268 A273Q81-A97 PolarHBondContact NE2-O 2.94Å; Q81-A97 VanDerWaalsContact NE2-O 3.16Å; F95-A97 PolarHBondContact O-N 3.4Å; A97-E262 VanDerWaalsContact CB-CD 3.5Å; A97-E262 HydrophobicContact CB-CG 3.56Å; A97-Y268 HydrophobicContact CB-CD1 3.12Å; A97-Y268 HydrophobicContact CB-CD2 4.27Å; A97-Y268 HydrophobicContact CB-CE1 3.24Å; A97-Y268 HydrophobicContact CB-CE2 4.33Å; A97-Y268 HydrophobicContact CB-CG 3.7Å; A97-A273 PolarHBondContact N-O 3.37Å; A97-A273 VanDerWaalsContact N-O 3.15Å
98R78.1Confident89Confident152 Ų15233.7 Ų33.757%0.57417%0.168SC*.SBendtrans-94.7133.5-166.9174173.1179.6178.53.2112V101 W260 E262R98-V101 HydrophobicContact CB-CG2 4Å; R98-V101 HydrophobicContact CG-CG2 3.87Å; R98-W260 HydrophobicContact CB-CZ2 4.36Å; R98-E262 WeakPolarHBondContact CB-OE1 3.27Å
99P80.6Confident89.3Confident51 Ų5129 Ų2933%0.33115%0.148SC..SBendtrans-70.6154.7166.930.3-33.7000112.1Y142P99-Y142 VanDerWaalsContact CA-OH 3.29Å; P99-Y142 WeakPolarHBondContact CA-OH 3.25Å
100M83.9Confident89.5Confident45 Ų4529 Ų2922%0.22215%0.148CC..  trans58.344.9175.3-63.7-64.2-75.400114.1I102 Q146 L149 Q150M100-I102 HydrophobicContact CE-CD1 4.16Å; M100-I102 PolarHBondContact O-N 2.8Å; M100-Q146 HydrophobicContact SD-CB 3.95Å; M100-Q146 PolarHBondContact SD-OE1 3.46Å; M100-L149 HydrophobicContact CE-CB 4.1Å; M100-L149 HydrophobicContact CE-CD2 3.87Å; M100-L149 HydrophobicContact CE-CG 3.82Å; M100-L149 HydrophobicContact CG-CD2 4.04Å; M100-L149 HydrophobicContact SD-CB 4.22Å; M100-L149 HydrophobicContact SD-CD2 3.86Å; M100-L149 HydrophobicContact SD-CG 4.26Å; M100-Q150 HydrophobicContact CE-CB 3.95Å
101V91.5Very high89.8Confident10 Ų1028.3 Ų28.36%0.06115%0.145CC..  trans-82.5113166.6179.70000109R98 V110 A251 W260R98-V101 HydrophobicContact CB-CG2 4Å; R98-V101 HydrophobicContact CG-CG2 3.87Å; V101-V110 HydrophobicContact CG1-CB 4.47Å; V101-V110 PolarHBondContact O-N 2.89Å; V101-A251 HydrophobicContact CG1-CB 3.78Å; V101-W260 HydrophobicContact CB-CH2 3.83Å; V101-W260 HydrophobicContact CB-CZ2 4.14Å; V101-W260 HydrophobicContact CB-CZ3 4.06Å; V101-W260 HydrophobicContact CG1-CD2 4.07Å; V101-W260 HydrophobicContact CG1-CE3 3.76Å; V101-W260 HydrophobicContact CG1-CH2 3.93Å; V101-W260 HydrophobicContact CG1-CZ2 4.32Å; V101-W260 HydrophobicContact CG1-CZ3 3.64Å; V101-W260 HydrophobicContact CG2-CD2 4.34Å; V101-W260 HydrophobicContact CG2-CH2 3.67Å; V101-W260 HydrophobicContact CG2-CZ2 3.44Å; V101-W260 VanDerWaalsContact CG2-CZ2 3.44Å; V101-W260 HydrophobicContact CG2-CZ3 4.25Å
102I94.9Very high90.1Very high34 Ų3427.7 Ų27.717%0.17414%0.141CC..EExtended strand (participates in β ladder)trans-104.7125.6-169.4-54.9-53.1000111M100 T104 T108 V109 Q150 A251M100-I102 HydrophobicContact CE-CD1 4.16Å; M100-I102 PolarHBondContact O-N 2.8Å; I102-T104 PolarHBondContact O-N 2.93Å; I102-T108 CarbonylContact C-O 3.42Å; I102-T108 WeakPolarHBondContact CA-O 3.45Å; I102-V109 HydrophobicContact CD1-CB 4.49Å; I102-V109 HydrophobicContact CD1-CG2 3.83Å; I102-Q150 HydrophobicContact CD1-CB 4.37Å; I102-Q150 HydrophobicContact CD1-CG 3.98Å; I102-A251 WeakPolarHBondContact O-CB 3.39Å
103N95.9Very high90.2Very high0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-73.4104.6163.7-175.116000109.7I105 D106 N107 T108 V110 S246 I247 S248N103-I105 PolarHBondContact O-N 3.38Å; N103-I105 VanDerWaalsContact O-N 3.16Å; N103-I105 WeakPolarHBondContact OD1-CB 3.48Å; N103-I105 PolarHBondContact OD1-N 2.92Å; N103-D106 PolarHBondContact ND2-OD1 2.77Å; N103-D106 PolarHBondContact O-N 3.13Å; N103-N107 WeakPolarHBondContact O-CA 3.33Å; N103-N107 PolarHBondContact O-N 3.36Å; N103-T108 PolarHBondContact N-O 2.91Å; N103-V110 HydrophobicContact CB-CG2 3.75Å; N103-S246 PolarHBondContact ND2-O 3.34Å; N103-I247 WeakPolarHBondContact OD1-CA 3.11Å; N103-S248 PolarHBondContact OD1-N 3.13Å
104T94.6Very high90.2Very high109 Ų10928 Ų2867%0.66914%0.143SC*.THydrogen-bonded Turntrans-69.5-10.2-179.355.70000113.4I102 S248I102-T104 PolarHBondContact O-N 2.93Å; T104-S248 PolarHBondContact N-OG 3.38Å; T104-S248 WeakPolarHBondContact OG1-CB 3.03Å; T104-S248 PolarHBondContact OG1-OG 3.26Å
105I94Very high90.2Very high70 Ų7027.7 Ų27.736%0.35914%0.143SC..THydrogen-bonded Turntrans-73.7-38.9178-63.5178000111.5N103N103-I105 PolarHBondContact O-N 3.38Å; N103-I105 VanDerWaalsContact O-N 3.16Å; N103-I105 WeakPolarHBondContact OD1-CB 3.48Å; N103-I105 PolarHBondContact OD1-N 2.92Å
106D93.2Very high89.8Confident35 Ų3528.9 Ų28.919%0.18715%0.149CC..THydrogen-bonded Turntrans-135.914.3-172.770.3-2000114.3N103 T108 R202N103-D106 PolarHBondContact ND2-OD1 2.77Å; N103-D106 PolarHBondContact O-N 3.13Å; D106-T108 PolarHBondContact O-N 2.82Å; D106-T108 WeakPolarHBondContact OD1-CB 3.49Å; D106-T108 VanDerWaalsContact OD1-CG2 3.32Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.33Å; D106-T108 PolarHBondContact OD1-N 2.92Å; D106-T108 PolarHBondContact OD1-OG1 3.13Å; D106-R202 IonicContact OD2-CZ 3.92Å; D106-R202 IonicContact OD2-NH1 3.92Å
107N95Very high89.2Confident18 Ų1829.1 Ų29.110%0.09615%0.151CC..THydrogen-bonded Turntrans62.718.5178.5-163.743.2000114.7N103 Q150 T154 Q156 E157 S158N103-N107 WeakPolarHBondContact O-CA 3.33Å; N103-N107 PolarHBondContact O-N 3.36Å; N107-Q150 PolarHBondContact OD1-NE2 2.91Å; N107-T154 PolarHBondContact ND2-OG1 3.42Å; N107-T154 VanDerWaalsContact ND2-OG1 3.14Å; N107-T154 WeakPolarHBondContact OD1-CG2 3.31Å; N107-Q156 PolarHBondContact ND2-O 3.11Å; N107-E157 PolarHBondContact ND2-O 3.39Å; N107-E157 VanDerWaalsContact ND2-O 3.12Å; N107-S158 WeakPolarHBondContact O-CB 3.26Å; N107-S158 PolarHBondContact O-OG 3.4Å
108T96.2Very high89.3Confident2 Ų233.5 Ų33.51%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-86.8150.2-179.858.90000113.2I102 N103 D106 G159 T161 R201I102-T108 CarbonylContact C-O 3.42Å; I102-T108 WeakPolarHBondContact CA-O 3.45Å; N103-T108 PolarHBondContact N-O 2.91Å; D106-T108 PolarHBondContact O-N 2.82Å; D106-T108 WeakPolarHBondContact OD1-CB 3.49Å; D106-T108 VanDerWaalsContact OD1-CG2 3.32Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.33Å; D106-T108 PolarHBondContact OD1-N 2.92Å; D106-T108 PolarHBondContact OD1-OG1 3.13Å; T108-G159 CarbonylContact C-O 3.4Å; T108-G159 VanDerWaalsContact CA-O 3.3Å; T108-G159 WeakPolarHBondContact CA-O 3.46Å; T108-G159 WeakPolarHBondContact CB-O 3.42Å; T108-T161 WeakPolarHBondContact CB-OG1 3.39Å; T108-T161 PolarHBondContact OG1-OG1 2.92Å; T108-R201 HydrophobicContact CG2-CB 3.72Å; T108-R201 HydrophobicContact CG2-CG 3.74Å
109V95.4Very high89.3Confident2 Ų227.2 Ų27.21%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-77.6126.7165.2-177.30000108.2I102 Q146 V147 Q150 G159 V160 T161I102-V109 HydrophobicContact CD1-CB 4.49Å; I102-V109 HydrophobicContact CD1-CG2 3.83Å; V109-Q146 HydrophobicContact CG1-CB 4.05Å; V109-Q146 HydrophobicContact CG2-CB 4.03Å; V109-V147 HydrophobicContact CG2-CG2 4.3Å; V109-Q150 HydrophobicContact CG2-CB 4.37Å; V109-G159 PolarHBondContact N-O 2.91Å; V109-V160 WeakPolarHBondContact O-CA 3.24Å; V109-T161 PolarHBondContact O-N 2.97Å
110V95.3Very high89.4Confident2 Ų225 Ų251%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-92.6126.6177.6-179.60000109.8V101 N103 L112 T161 I163 I247 A251 W260V101-V110 HydrophobicContact CG1-CB 4.47Å; V101-V110 PolarHBondContact O-N 2.89Å; N103-V110 HydrophobicContact CB-CG2 3.75Å; V110-L112 HydrophobicContact CG1-CD2 4.14Å; V110-T161 WeakPolarHBondContact CA-O 3.39Å; V110-I163 HydrophobicContact CG1-CD1 3.91Å; V110-I163 HydrophobicContact CG1-CG1 4.06Å; V110-I247 HydrophobicContact CG2-CG2 4.37Å; V110-A251 HydrophobicContact CG2-CB 3.93Å; V110-W260 HydrophobicContact CG1-CZ3 4.28Å
111V94.4Very high89.5Confident1 Ų127.1 Ų27.11%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-119.3118.7173.6-179.90000108.7V113 V160 T161 F162 I163V111-V113 HydrophobicContact CG1-CG2 4.15Å; V111-V160 HydrophobicContact CB-CG1 4.36Å; V111-V160 HydrophobicContact CG2-CG1 3.87Å; V111-T161 PolarHBondContact N-O 2.87Å; V111-F162 HydrophobicContact CB-CD1 3.8Å; V111-F162 HydrophobicContact CB-CE1 3.84Å; V111-F162 HydrophobicContact CG1-CD1 3.95Å; V111-F162 HydrophobicContact CG1-CE1 3.82Å; V111-F162 HydrophobicContact CG2-CE1 4.38Å; V111-F162 WeakPolarHBondContact O-CA 3.2Å; V111-I163 PolarHBondContact O-N 3.14Å
112L93.8Very high89.3Confident7 Ų727.3 Ų27.34%0.03716%0.157CC..EExtended strand (participates in β ladder)trans-87.1135.3174.7-53.2174.7000109.2F95 S96 V110 I163 P253 W260 D272 A273 V274F95-L112 CarbonylContact C-O 3.55Å; F95-L112 VanDerWaalsContact CA-O 3.28Å; F95-L112 WeakPolarHBondContact CA-O 3.24Å; S96-L112 PolarHBondContact N-O 3.3Å; S96-L112 PolarHBondContact OG-N 3.17Å; V110-L112 HydrophobicContact CG1-CD2 4.14Å; L112-I163 HydrophobicContact CD2-CB 3.71Å; L112-I163 HydrophobicContact CD2-CD1 3.55Å; L112-I163 HydrophobicContact CD2-CG1 3.9Å; L112-I163 HydrophobicContact CD2-CG2 4.39Å; L112-P253 HydrophobicContact CD1-CG 3.31Å; L112-P253 HydrophobicContact CD2-CG 3.93Å; L112-P253 HydrophobicContact CG-CG 4.26Å; L112-W260 HydrophobicContact CD1-CE3 3.82Å; L112-W260 HydrophobicContact CD1-CH2 3.63Å; L112-W260 HydrophobicContact CD1-CZ2 4.27Å; L112-W260 HydrophobicContact CD1-CZ3 3.36Å; L112-W260 HydrophobicContact CD2-CZ3 4Å; L112-W260 HydrophobicContact CG-CE3 4.35Å; L112-W260 HydrophobicContact CG-CH2 3.81Å; L112-W260 HydrophobicContact CG-CZ3 3.5Å; L112-D272 WeakPolarHBondContact CD1-O 3.23Å; L112-A273 HydrophobicContact CD1-CB 4.13Å; L112-V274 HydrophobicContact CB-CG1 3.95Å; L112-V274 HydrophobicContact CD1-CG1 4.21Å
113V93.2Very high89.1Confident16 Ų1625.7 Ų25.710%0.09715%0.149CC..EExtended strand (participates in β ladder)trans-133.4118176.2-173.30000108.4F93 F95 V111 P115 F162 I163 I164 D165F93-V113 HydrophobicContact CD1-CG1 4Å; F95-V113 HydrophobicContact CD1-CG1 4.37Å; F95-V113 HydrophobicContact CD1-CG2 4.04Å; F95-V113 HydrophobicContact CE1-CG1 4.08Å; F95-V113 HydrophobicContact CE1-CG2 4.21Å; V111-V113 HydrophobicContact CG1-CG2 4.15Å; V113-P115 WeakPolarHBondContact O-CD 3.16Å; V113-F162 HydrophobicContact CG2-CD1 4.04Å; V113-I163 PolarHBondContact N-O 3.12Å; V113-I164 CarbonylContact O-C 3.6Å; V113-I164 VanDerWaalsContact O-CA 3.27Å; V113-I164 WeakPolarHBondContact O-CA 3.33Å; V113-D165 PolarHBondContact O-N 3.3Å
114K91.6Very high88.9Confident8 Ų825.8 Ų25.84%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-116.394.8177.3-168.7162.7171.5176.60109.1R94 D165 I167 E168 D272R94-K114 HydrophobicContact CB-CB 4.31Å; R94-K114 PolarHBondContact N-O 3.04Å; R94-K114 PolarHBondContact O-N 3.35Å; K114-D165 HydrophobicContact CB-CB 4.5Å; K114-D165 HydrophobicContact CD-CB 4.4Å; K114-D165 HydrophobicContact CG-CB 4.28Å; K114-D165 IonicContact NZ-OD2 3.63Å; K114-I167 HydrophobicContact CD-CG2 4.38Å; K114-E168 WeakPolarHBondContact CE-OE1 3.32Å; K114-E168 IonicContact NZ-OE1 3.04Å; K114-E168 PolarHBondContact NZ-OE1 3.24Å; K114-D272 IonicContact NZ-OD2 3.84Å; K114-D272 PolarHBondContact NZ-OD2 3.29Å
115P90Very high88.6Confident10 Ų1027.8 Ų27.87%0.06515%0.149CC..EExtended strand (participates in β ladder)trans-65.9144.5174.325.7-33.7000111.4F93 V113 M120 I164 D165 F169F93-P115 HydrophobicContact CD1-CB 3.93Å; F93-P115 HydrophobicContact CE1-CB 3.87Å; V113-P115 WeakPolarHBondContact O-CD 3.16Å; P115-M120 HydrophobicContact CB-CE 3.95Å; P115-I164 HydrophobicContact CG-CG2 4.3Å; P115-D165 WeakPolarHBondContact CD-O 3.34Å; P115-F169 HydrophobicContact CB-CB 4.24Å; P115-F169 HydrophobicContact CB-CD2 3.71Å; P115-F169 HydrophobicContact CB-CE2 4.32Å; P115-F169 HydrophobicContact CB-CG 3.92Å; P115-F169 HydrophobicContact CG-CB 3.83Å; P115-F169 HydrophobicContact CG-CD1 4.3Å; P115-F169 HydrophobicContact CG-CD2 4.13Å; P115-F169 HydrophobicContact CG-CG 3.79Å
116K81.5Confident88.3Confident30 Ų3027.6 Ų27.613%0.1315%0.148CC..  trans-105.9110.5178.1-176.2173.3173.8-175.80111.3F92 S118 N119 M120 E277F92-K116 PolarHBondContact O-N 3.34Å; K116-S118 VanDerWaalsContact CE-OG 3.26Å; K116-S118 WeakPolarHBondContact CE-OG 3.25Å; K116-S118 PolarHBondContact O-N 3.08Å; K116-N119 HydrophobicContact CD-CB 4.13Å; K116-N119 WeakPolarHBondContact CD-ND2 3.35Å; K116-N119 WeakPolarHBondContact CE-ND2 3.15Å; K116-N119 HydrophobicContact CG-CB 4.25Å; K116-N119 PolarHBondContact NZ-ND2 2.95Å; K116-N119 PolarHBondContact O-N 2.91Å; K116-M120 WeakPolarHBondContact O-CB 3.44Å; K116-M120 PolarHBondContact O-N 2.72Å; K116-M120 VanDerWaalsContact O-N 3.12Å; K116-E277 IonicContact NZ-OE1 3.99Å; K116-E277 PolarHBondContact NZ-OE1 3.2Å
117G71.5Confident88.3Confident6 Ų626.7 Ų26.76%0.06214%0.143CC..Hα-helixtrans-61.7-47.7-173.600000113.7N119 M120 E168G117-N119 VanDerWaalsContact C-N 3.28Å; G117-N119 PolarHBondContact O-N 2.63Å; G117-M120 PolarHBondContact O-N 2.76Å; G117-E168 WeakPolarHBondContact CA-O 3.37Å; G117-E168 PolarHBondContact N-O 3.49Å
118S70.8Confident88.1Confident96 Ų9626.8 Ų26.867%0.67115%0.145SC*.Hα-helixtrans-62.1-33-175.7530000113.7K116K116-S118 VanDerWaalsContact CE-OG 3.26Å; K116-S118 WeakPolarHBondContact CE-OG 3.25Å; K116-S118 PolarHBondContact O-N 3.08Å
119N77.8Confident88Confident20 Ų2026.9 Ų26.911%0.10715%0.147CC..Hα-helixtrans-91.1-24.9-179.1-73.7-0000113P91 F92 K116 G117 M121 A122 L280P91-N119 WeakPolarHBondContact O-CB 3.48Å; P91-N119 PolarHBondContact O-ND2 3.05Å; F92-N119 HydrophobicContact CD1-CB 4.03Å; F92-N119 VanDerWaalsContact CD1-O 3.31Å; F92-N119 WeakPolarHBondContact CD1-O 3.41Å; F92-N119 HydrophobicContact CE1-CB 4.43Å; F92-N119 VanDerWaalsContact CE1-O 3.27Å; F92-N119 WeakPolarHBondContact CE1-O 3.48Å; K116-N119 HydrophobicContact CD-CB 4.13Å; K116-N119 WeakPolarHBondContact CD-ND2 3.35Å; K116-N119 WeakPolarHBondContact CE-ND2 3.15Å; K116-N119 HydrophobicContact CG-CB 4.25Å; K116-N119 PolarHBondContact NZ-ND2 2.95Å; K116-N119 PolarHBondContact O-N 2.91Å; G117-N119 VanDerWaalsContact C-N 3.28Å; G117-N119 PolarHBondContact O-N 2.63Å; N119-M121 PolarHBondContact O-N 2.98Å; N119-M121 VanDerWaalsContact O-N 3.14Å; N119-A122 WeakPolarHBondContact O-CB 3.24Å; N119-A122 PolarHBondContact O-N 3.35Å; N119-L280 HydrophobicContact CB-CD2 4.46Å
120M83.9Confident87.9Confident3 Ų326.9 Ų26.92%0.01515%0.146CC..Hα-helixtrans-55.3-38.7-171.6-161.158.164.300112.5F92 F93 P115 K116 G117 A122 M123 F169 V181 L185F92-M120 HydrophobicContact CB-CE 4.09Å; F92-M120 HydrophobicContact CB-SD 4.29Å; F92-M120 WeakPolarHBondContact O-CE 3.25Å; F93-M120 HydrophobicContact CD1-CE 4.23Å; F93-M120 HydrophobicContact CD2-CE 4.47Å; F93-M120 HydrophobicContact CE1-CE 3.76Å; F93-M120 HydrophobicContact CE2-CE 4.05Å; F93-M120 HydrophobicContact CE2-SD 4.24Å; F93-M120 HydrophobicContact CZ-CE 3.65Å; F93-M120 HydrophobicContact CZ-SD 3.99Å; P115-M120 HydrophobicContact CB-CE 3.95Å; K116-M120 WeakPolarHBondContact O-CB 3.44Å; K116-M120 PolarHBondContact O-N 2.72Å; K116-M120 VanDerWaalsContact O-N 3.12Å; G117-M120 PolarHBondContact O-N 2.76Å; M120-A122 PolarHBondContact O-N 3.16Å; M120-M123 HydrophobicContact CE-CE 4.34Å; M120-M123 VanDerWaalsContact O-CB 3.26Å; M120-M123 WeakPolarHBondContact O-CB 3.27Å; M120-M123 PolarHBondContact O-N 2.95Å; M120-M123 VanDerWaalsContact O-N 3.12Å; M120-M123 HydrophobicContact SD-CE 3.26Å; M120-M123 WeakPolarHBondContact SD-CE 3.15Å; M120-M123 HydrophobicContact SD-SD 4.45Å; M120-F169 HydrophobicContact CB-CE2 4.01Å; M120-F169 HydrophobicContact CE-CE2 4.24Å; M120-F169 HydrophobicContact CG-CE2 3.88Å; M120-V181 HydrophobicContact CG-CG1 4.33Å; M120-V181 HydrophobicContact CG-CG2 3.62Å; M120-V181 WeakPolarHBondContact O-CG2 3.41Å; M120-V181 HydrophobicContact SD-CG2 3.88Å; M120-L185 HydrophobicContact SD-CD1 4.13Å
121M85.3Confident87.8Confident90 Ų9027.5 Ų27.544%0.44315%0.15SC..THydrogen-bonded Turntrans-66.2-21.7-179.8-61.9-55.8-70.200114N119 N173 V179 V181N119-M121 PolarHBondContact O-N 2.98Å; N119-M121 VanDerWaalsContact O-N 3.14Å; M121-N173 HydrophobicContact SD-CB 4.23Å; M121-V179 HydrophobicContact CE-CG1 3.87Å; M121-V179 HydrophobicContact SD-CG1 4.26Å; M121-V181 HydrophobicContact SD-CG1 3.78Å
122A88Confident87.8Confident14 Ų1427.5 Ų27.512%0.11615%0.15CC..THydrogen-bonded Turntrans-82.3-19.6176.400000112.9F92 N119 M120 P124 K125 M126 L280 F282F92-A122 HydrophobicContact CE1-CB 4.48Å; N119-A122 WeakPolarHBondContact O-CB 3.24Å; N119-A122 PolarHBondContact O-N 3.35Å; M120-A122 PolarHBondContact O-N 3.16Å; A122-P124 VanDerWaalsContact C-CD 3.47Å; A122-K125 WeakPolarHBondContact O-CB 3.21Å; A122-K125 PolarHBondContact O-N 3.31Å; A122-M126 HydrophobicContact CB-SD 4.22Å; A122-M126 PolarHBondContact O-N 3.16Å; A122-L280 HydrophobicContact CB-CD2 3.89Å; A122-F282 HydrophobicContact CB-CE1 4.02Å; A122-F282 HydrophobicContact CB-CZ 4.04Å
123M90.3Very high87.8Confident0 Ų027.2 Ų27.20%015%0.149CC..Hα-helixtrans-50.8-47-174.8-174.5-168-68.700113.8L89 F92 F93 M120 K125 M126 L127 V132 V181 L185L89-M123 HydrophobicContact CD2-CE 4.44Å; F92-M123 HydrophobicContact CB-CE 3.43Å; F92-M123 VanDerWaalsContact CB-CE 3.43Å; F92-M123 HydrophobicContact CD1-CB 3.8Å; F92-M123 HydrophobicContact CD1-CE 4.03Å; F92-M123 HydrophobicContact CD1-CG 4.38Å; F92-M123 HydrophobicContact CD2-CE 3.92Å; F92-M123 HydrophobicContact CD2-CG 4.25Å; F92-M123 VanDerWaalsContact CE1-CA 3.49Å; F92-M123 HydrophobicContact CE1-CB 3.63Å; F92-M123 HydrophobicContact CE1-CG 4.32Å; F92-M123 HydrophobicContact CE2-CB 4.37Å; F92-M123 HydrophobicContact CE2-CG 4.19Å; F92-M123 HydrophobicContact CG-CB 4.25Å; F92-M123 HydrophobicContact CG-CE 3.51Å; F92-M123 HydrophobicContact CG-CG 4.34Å; F92-M123 HydrophobicContact CZ-CB 3.94Å; F92-M123 HydrophobicContact CZ-CG 4.22Å; F93-M123 HydrophobicContact CD2-CE 4.25Å; F93-M123 HydrophobicContact CE2-CE 3.51Å; F93-M123 HydrophobicContact CZ-CE 4.24Å; M120-M123 HydrophobicContact CE-CE 4.34Å; M120-M123 VanDerWaalsContact O-CB 3.26Å; M120-M123 WeakPolarHBondContact O-CB 3.27Å; M120-M123 PolarHBondContact O-N 2.95Å; M120-M123 VanDerWaalsContact O-N 3.12Å; M120-M123 HydrophobicContact SD-CE 3.26Å; M120-M123 WeakPolarHBondContact SD-CE 3.15Å; M120-M123 HydrophobicContact SD-SD 4.45Å; M123-K125 PolarHBondContact O-N 3.13Å; M123-K125 VanDerWaalsContact O-N 3.14Å; M123-M126 PolarHBondContact O-N 2.81Å; M123-L127 HydrophobicContact CG-CB 4.47Å; M123-L127 HydrophobicContact CG-CD1 3.96Å; M123-L127 HydrophobicContact CG-CG 4.36Å; M123-L127 PolarHBondContact O-N 3.02Å; M123-V132 HydrophobicContact CG-CG2 4.29Å; M123-V132 HydrophobicContact SD-CG1 4.34Å; M123-V132 HydrophobicContact SD-CG2 3.92Å; M123-V181 HydrophobicContact CB-CG2 4.33Å; M123-V181 HydrophobicContact SD-CG2 4.15Å; M123-L185 HydrophobicContact CE-CD2 4.43Å; M123-L185 HydrophobicContact SD-CD2 4.31Å
124P90.7Very high87.8Confident3 Ų326.9 Ų26.92%0.01915%0.146CC..Hα-helixtrans-65.6-21-177.4-22.136.4000114.2A122 P180 V181 M184 P353 L354 S358A122-P124 VanDerWaalsContact C-CD 3.47Å; P124-P180 HydrophobicContact CB-CB 3.84Å; P124-P180 HydrophobicContact CG-CB 3.75Å; P124-V181 HydrophobicContact CG-CB 3.79Å; P124-M184 WeakPolarHBondContact CA-SD 3.48Å; P124-M184 HydrophobicContact CB-SD 3.54Å; P124-M184 VanDerWaalsContact CB-SD 3.54Å; P124-M184 HydrophobicContact CG-SD 3.73Å; P124-P353 HydrophobicContact CB-CG 4.39Å; P124-L354 HydrophobicContact CB-CD1 3.87Å; P124-L354 HydrophobicContact CB-CG 4.07Å; P124-L354 WeakPolarHBondContact O-CD1 3.4Å; P124-S358 WeakPolarHBondContact O-CB 3.26Å; P124-S358 PolarHBondContact O-OG 3.1Å
125K89.1Confident87.9Confident151 Ų15126.5 Ų26.566%0.65714%0.144SC*.Hα-helixtrans-85.3-18.6176-63.4-179.8179.3177.80112.4A122 M123 L354A122-K125 WeakPolarHBondContact O-CB 3.21Å; A122-K125 PolarHBondContact O-N 3.31Å; M123-K125 PolarHBondContact O-N 3.13Å; M123-K125 VanDerWaalsContact O-N 3.14Å; K125-L354 HydrophobicContact CB-CD1 4.48Å; K125-L354 HydrophobicContact CG-CD1 3.63Å
126M88.1Confident88Confident66 Ų6627 Ų2733%0.32515%0.146SC..Hα-helixtrans-108.8-30.9-171.5-66.1-173.66700113.3F92 A122 M123 L280 N281 F282F92-M126 HydrophobicContact CZ-CB 4.27Å; F92-M126 HydrophobicContact CZ-SD 4.05Å; A122-M126 HydrophobicContact CB-SD 4.22Å; A122-M126 PolarHBondContact O-N 3.16Å; M123-M126 PolarHBondContact O-N 2.81Å; M126-L280 HydrophobicContact CE-CD1 3.71Å; M126-L280 HydrophobicContact CE-CG 4.04Å; M126-L280 HydrophobicContact SD-CD1 3.5Å; M126-L280 WeakPolarHBondContact SD-CD1 3.31Å; M126-L280 HydrophobicContact SD-CD2 3.96Å; M126-L280 HydrophobicContact SD-CG 3.78Å; M126-N281 VanDerWaalsContact CE-O 3.24Å; M126-N281 WeakPolarHBondContact CE-O 3.36Å; M126-F282 HydrophobicContact SD-CD1 4.2Å; M126-F282 HydrophobicContact SD-CE1 4.16Å
127L91.4Very high88.5Confident16 Ų1625.6 Ų25.68%0.08414%0.14CC..SBendtrans-120.6142.9-177.3-55.9-176.1000110.5K88 L89 F92 M123 T131 V132 M184K88-L127 HydrophobicContact CB-CD2 3.97Å; L89-L127 HydrophobicContact CD2-CD1 3.79Å; F92-L127 HydrophobicContact CD2-CD1 4.14Å; F92-L127 HydrophobicContact CE2-CD1 3.73Å; F92-L127 HydrophobicContact CE2-CG 4.1Å; M123-L127 HydrophobicContact CG-CB 4.47Å; M123-L127 HydrophobicContact CG-CD1 3.96Å; M123-L127 HydrophobicContact CG-CG 4.36Å; M123-L127 PolarHBondContact O-N 3.02Å; L127-T131 HydrophobicContact CB-CG2 4.4Å; L127-T131 HydrophobicContact CD2-CG2 4.14Å; L127-V132 HydrophobicContact CB-CG2 3.88Å; L127-V132 HydrophobicContact CD1-CG2 3.84Å; L127-M184 WeakPolarHBondContact O-CE 3.49Å
128S92.4Very high89.5Confident19 Ų1925.4 Ų25.413%0.13314%0.137CC..  trans-71.1160168.274.60000110.9S130 T131 V132 E360S128-S130 VanDerWaalsContact C-N 3.31Å; S128-S130 PolarHBondContact O-N 3.39Å; S128-S130 PolarHBondContact OG-OG 3.34Å; S128-T131 PolarHBondContact O-N 3.32Å; S128-T131 WeakPolarHBondContact OG-CB 3.31Å; S128-T131 PolarHBondContact OG-N 3.04Å; S128-T131 VanDerWaalsContact OG-N 3.14Å; S128-T131 PolarHBondContact OG-OG1 2.92Å; S128-V132 PolarHBondContact O-N 2.58Å; S128-E360 WeakPolarHBondContact CB-OE2 3.22Å; S128-E360 PolarHBondContact OG-OE1 2.89Å; S128-E360 PolarHBondContact OG-OE2 3.33Å
129G93.4Very high90.5Very high5 Ų521.3 Ų21.35%0.05211%0.108CC..Hα-helixtrans-58.1-45.5174.900000111.4T131 V132 V133 E360G129-T131 VanDerWaalsContact C-N 3.31Å; G129-T131 PolarHBondContact O-N 3.1Å; G129-V132 PolarHBondContact O-N 3.24Å; G129-V133 VanDerWaalsContact O-CG2 3.27Å; G129-V133 WeakPolarHBondContact O-CG2 3.37Å; G129-V133 PolarHBondContact O-N 2.93Å; G129-V133 VanDerWaalsContact O-N 3.07Å; G129-E360 PolarHBondContact N-OE2 3.22Å
130S93.4Very high91.2Very high1 Ų120.4 Ų20.41%0.00710%0.103CC..Hα-helixtrans-62-38.3177.582.30000112S128 V132 V133 K134 E360S128-S130 VanDerWaalsContact C-N 3.31Å; S128-S130 PolarHBondContact O-N 3.39Å; S128-S130 PolarHBondContact OG-OG 3.34Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 3.12Å; S130-V133 PolarHBondContact O-N 3.42Å; S130-K134 VanDerWaalsContact O-CB 3.27Å; S130-K134 WeakPolarHBondContact O-CB 3.34Å; S130-K134 WeakPolarHBondContact O-CG 3.44Å; S130-K134 PolarHBondContact O-N 3.14Å; S130-E360 WeakPolarHBondContact CB-OE1 3.38Å; S130-E360 WeakPolarHBondContact CB-OE2 3.3Å; S130-E360 PolarHBondContact N-OE2 3.48Å; S130-E360 VanDerWaalsContact OG-CD 3.22Å; S130-E360 PolarHBondContact OG-OE1 3.39Å; S130-E360 PolarHBondContact OG-OE2 2.95Å
131T92.6Very high91.5Very high16 Ų1621.2 Ų21.210%0.09811%0.106CC..Hα-helixtrans-59.9-44.8-179.5-64.80000111.1K88 L127 S128 G129 A135K88-T131 HydrophobicContact CB-CG2 4.29Å; K88-T131 HydrophobicContact CD-CG2 3.67Å; L127-T131 HydrophobicContact CB-CG2 4.4Å; L127-T131 HydrophobicContact CD2-CG2 4.14Å; S128-T131 PolarHBondContact O-N 3.32Å; S128-T131 WeakPolarHBondContact OG-CB 3.31Å; S128-T131 PolarHBondContact OG-N 3.04Å; S128-T131 VanDerWaalsContact OG-N 3.14Å; S128-T131 PolarHBondContact OG-OG1 2.92Å; G129-T131 VanDerWaalsContact C-N 3.31Å; G129-T131 PolarHBondContact O-N 3.1Å; T131-A135 VanDerWaalsContact O-CB 3.31Å; T131-A135 WeakPolarHBondContact O-CB 3.45Å; T131-A135 PolarHBondContact O-N 3.3Å
132V94.5Very high91.8Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-67.7-43.7178.4179.70000111L89 M123 L127 S128 G129 S130 A135 F136 M184 A188L89-V132 HydrophobicContact CD2-CG1 4.41Å; L89-V132 HydrophobicContact CD2-CG2 4.25Å; M123-V132 HydrophobicContact CG-CG2 4.29Å; M123-V132 HydrophobicContact SD-CG1 4.34Å; M123-V132 HydrophobicContact SD-CG2 3.92Å; L127-V132 HydrophobicContact CB-CG2 3.88Å; L127-V132 HydrophobicContact CD1-CG2 3.84Å; S128-V132 PolarHBondContact O-N 2.58Å; G129-V132 PolarHBondContact O-N 3.24Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 3.12Å; V132-A135 PolarHBondContact O-N 3.4Å; V132-F136 HydrophobicContact CG1-CD2 4.24Å; V132-F136 HydrophobicContact CG1-CE2 4.18Å; V132-F136 WeakPolarHBondContact O-CD2 3.42Å; V132-F136 PolarHBondContact O-N 2.96Å; V132-M184 HydrophobicContact CB-CE 4.2Å; V132-M184 HydrophobicContact CG2-CE 3.45Å; V132-M184 VanDerWaalsContact CG2-CE 3.45Å; V132-A188 HydrophobicContact CG1-CB 3.96Å
133V94.8Very high92Very high1 Ų116.6 Ų16.61%0.0068%0.081CC..Hα-helixtrans-61.6-49.7177.6174.10000111.3G129 S130 A135 F136 V137 T187 A188 Q191 L348 I349G129-V133 VanDerWaalsContact O-CG2 3.27Å; G129-V133 WeakPolarHBondContact O-CG2 3.37Å; G129-V133 PolarHBondContact O-N 2.93Å; G129-V133 VanDerWaalsContact O-N 3.07Å; S130-V133 PolarHBondContact O-N 3.42Å; V133-A135 VanDerWaalsContact C-N 3.29Å; V133-A135 PolarHBondContact O-N 3.41Å; V133-F136 PolarHBondContact O-N 2.78Å; V133-F136 VanDerWaalsContact O-N 3.14Å; V133-V137 HydrophobicContact CG1-CG2 4.44Å; V133-V137 WeakPolarHBondContact O-CG2 3.37Å; V133-V137 PolarHBondContact O-N 3.27Å; V133-T187 HydrophobicContact CG2-CG2 4.08Å; V133-A188 HydrophobicContact CG2-CB 4.27Å; V133-Q191 HydrophobicContact CG1-CB 3.72Å; V133-Q191 HydrophobicContact CG1-CG 3.62Å; V133-L348 HydrophobicContact CG1-CD2 3.91Å; V133-I349 WeakPolarHBondContact CG2-O 3.34Å
134K93.1Very high92.1Very high9 Ų917 Ų174%0.0398%0.083CC..Hα-helixtrans-57.5-42.6177-68.5176.9-178.7173.30110.9F73 Y85 S130 F136 V137 V138 Y345 L348 D362F73-K134 HydrophobicContact CE1-CB 4.26Å; F73-K134 HydrophobicContact CE1-CG 3.98Å; Y85-K134 HydrophobicContact CD1-CB 3.91Å; Y85-K134 HydrophobicContact CD1-CD 4.17Å; Y85-K134 HydrophobicContact CE1-CB 4.05Å; Y85-K134 HydrophobicContact CE1-CD 3.46Å; Y85-K134 VanDerWaalsContact CE1-CD 3.46Å; Y85-K134 HydrophobicContact CE1-CG 4.4Å; Y85-K134 HydrophobicContact CG-CB 4.15Å; S130-K134 VanDerWaalsContact O-CB 3.27Å; S130-K134 WeakPolarHBondContact O-CB 3.34Å; S130-K134 WeakPolarHBondContact O-CG 3.44Å; S130-K134 PolarHBondContact O-N 3.14Å; K134-F136 PolarHBondContact O-N 2.62Å; K134-V137 PolarHBondContact O-N 3Å; K134-V138 WeakPolarHBondContact O-CB 3.27Å; K134-V138 VanDerWaalsContact O-CG2 3.26Å; K134-V138 WeakPolarHBondContact O-CG2 3.45Å; K134-V138 PolarHBondContact O-N 2.73Å; K134-Y345 VanDerWaalsContact CE-OH 3.3Å; K134-Y345 WeakPolarHBondContact CE-OH 3.32Å; K134-Y345 PolarHBondContact NZ-OH 3.08Å; K134-L348 HydrophobicContact CD-CD1 4.3Å; K134-L348 HydrophobicContact CG-CD1 3.7Å; K134-D362 IonicContact NZ-OD2 3.68Å; K134-D362 PolarHBondContact NZ-OD2 2.87Å
135A92.4Very high92.1Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-63-40177.200000112.6L86 L89 T131 V132 V133 V138 L139L86-A135 HydrophobicContact CD2-CB 4.36Å; L86-A135 VanDerWaalsContact CD2-O 3.27Å; L86-A135 WeakPolarHBondContact CD2-O 3.5Å; L89-A135 HydrophobicContact CD1-CB 3.34Å; L89-A135 HydrophobicContact CD2-CB 4.45Å; L89-A135 HydrophobicContact CG-CB 3.6Å; T131-A135 VanDerWaalsContact O-CB 3.31Å; T131-A135 WeakPolarHBondContact O-CB 3.45Å; T131-A135 PolarHBondContact O-N 3.3Å; V132-A135 PolarHBondContact O-N 3.4Å; V133-A135 VanDerWaalsContact C-N 3.29Å; V133-A135 PolarHBondContact O-N 3.41Å; A135-V138 PolarHBondContact O-N 2.93Å; A135-L139 PolarHBondContact O-N 2.8Å
136F93.5Very high92.2Very high22 Ų2211.1 Ų11.110%0.0966%0.063CC..Hα-helixtrans-66.4-41.3173.4-88.6-119.9000111.9L89 F93 V132 V133 K134 V138 L139 G140 L185 A188 L189 F192L89-F136 HydrophobicContact CD1-CD2 3.96Å; L89-F136 HydrophobicContact CD1-CE2 3.92Å; F93-F136 HydrophobicContact CE2-CE2 4.44Å; F93-F136 HydrophobicContact CZ-CZ 4.43Å; V132-F136 HydrophobicContact CG1-CD2 4.24Å; V132-F136 HydrophobicContact CG1-CE2 4.18Å; V132-F136 WeakPolarHBondContact O-CD2 3.42Å; V132-F136 PolarHBondContact O-N 2.96Å; V133-F136 PolarHBondContact O-N 2.78Å; V133-F136 VanDerWaalsContact O-N 3.14Å; K134-F136 PolarHBondContact O-N 2.62Å; F136-V138 VanDerWaalsContact C-N 3.34Å; F136-V138 PolarHBondContact O-N 2.77Å; F136-L139 WeakPolarHBondContact O-CB 3.31Å; F136-L139 PolarHBondContact O-N 3.27Å; F136-G140 PolarHBondContact O-N 2.79Å; F136-L185 HydrophobicContact CE2-CD2 4.35Å; F136-L185 HydrophobicContact CZ-CD2 4.11Å; F136-A188 HydrophobicContact CB-CB 4.11Å; F136-A188 HydrophobicContact CD1-CB 3.94Å; F136-A188 HydrophobicContact CD2-CB 3.88Å; F136-A188 HydrophobicContact CE1-CB 4.33Å; F136-A188 HydrophobicContact CE2-CB 4.27Å; F136-A188 HydrophobicContact CG-CB 3.7Å; F136-A188 HydrophobicContact CZ-CB 4.48Å; F136-L189 HydrophobicContact CD1-CD2 4.39Å; F136-L189 HydrophobicContact CE1-CD2 3.93Å; F136-L189 HydrophobicContact CE1-CG 4.24Å; F136-F192 HydrophobicContact CB-CD2 4.28Å; F136-F192 HydrophobicContact CD1-CB 4.38Å; F136-F192 HydrophobicContact CD1-CD2 4.4Å; F136-F192 VanDerWaalsContact O-CD2 3.22Å; F136-F192 WeakPolarHBondContact O-CD2 3.26Å; F136-F192 WeakPolarHBondContact O-CE2 3.45Å
137V92.5Very high92.5Very high0 Ų08 Ų80%05%0.048CC..Hα-helixtrans-61.5-44.2176.3173.70000111F73 V133 K134 L139 G140 E141 Q191 F195 Y196F73-V137 HydrophobicContact CB-CG1 4.04Å; F73-V137 HydrophobicContact CD1-CB 4.35Å; F73-V137 HydrophobicContact CD1-CG1 3.83Å; F73-V137 HydrophobicContact CD2-CG1 3.32Å; F73-V137 HydrophobicContact CE1-CB 4.44Å; F73-V137 HydrophobicContact CE1-CG1 4.13Å; F73-V137 HydrophobicContact CE2-CG1 3.65Å; F73-V137 HydrophobicContact CG-CB 4.39Å; F73-V137 HydrophobicContact CG-CG1 3.42Å; F73-V137 VanDerWaalsContact CG-CG1 3.42Å; F73-V137 HydrophobicContact CZ-CG1 4.04Å; V133-V137 HydrophobicContact CG1-CG2 4.44Å; V133-V137 WeakPolarHBondContact O-CG2 3.37Å; V133-V137 PolarHBondContact O-N 3.27Å; K134-V137 PolarHBondContact O-N 3Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 2.84Å; V137-G140 CarbonylContact O-C 3.48Å; V137-G140 WeakPolarHBondContact O-CA 3.35Å; V137-G140 PolarHBondContact O-N 3.32Å; V137-E141 PolarHBondContact O-N 2.83Å; V137-Q191 HydrophobicContact CG2-CG 3.63Å; V137-F195 HydrophobicContact CG1-CD2 4.3Å; V137-F195 HydrophobicContact CG2-CD2 4.19Å; V137-F195 HydrophobicContact CG2-CE2 4.39Å; V137-Y196 HydrophobicContact CB-CE2 4.4Å; V137-Y196 HydrophobicContact CG1-CE2 4.01Å; V137-Y196 WeakPolarHBondContact CG1-OH 3.49Å; V137-Y196 WeakPolarHBondContact O-CE2 3.26Å; V137-Y196 PolarHBondContact O-OH 2.93Å
138V91.5Very high92.5Very high2 Ų28.4 Ų8.41%0.0125%0.05CC..Hα-helixtrans-60.9-41.1173.8169.30000111.6F73 L75 N83 Y85 L86 K134 A135 F136 G140 E141 Y142F73-V138 HydrophobicContact CB-CG2 4.47Å; F73-V138 HydrophobicContact CD1-CG2 4.35Å; L75-V138 HydrophobicContact CD2-CG1 3.6Å; N83-V138 HydrophobicContact CB-CG1 4.15Å; N83-V138 VanDerWaalsContact ND2-CG1 3.35Å; N83-V138 WeakPolarHBondContact ND2-CG1 3.33Å; Y85-V138 HydrophobicContact CD2-CG2 4.14Å; L86-V138 HydrophobicContact CD1-CG1 3.68Å; L86-V138 HydrophobicContact CG-CG1 3.91Å; K134-V138 WeakPolarHBondContact O-CB 3.27Å; K134-V138 VanDerWaalsContact O-CG2 3.26Å; K134-V138 WeakPolarHBondContact O-CG2 3.45Å; K134-V138 PolarHBondContact O-N 2.73Å; A135-V138 PolarHBondContact O-N 2.93Å; F136-V138 VanDerWaalsContact C-N 3.34Å; F136-V138 PolarHBondContact O-N 2.77Å; V138-G140 PolarHBondContact O-N 3.33Å; V138-E141 PolarHBondContact O-N 3.23Å; V138-Y142 WeakPolarHBondContact O-CB 3.45Å; V138-Y142 PolarHBondContact O-N 2.83Å
139L91.8Very high92.5Very high10 Ų1010.7 Ų10.75%0.0526%0.06CC..Hα-helixtrans-59.8-36.9173-178.962.5000111.3I80 L86 F95 A135 F136 V137 Y142 C143I80-L139 HydrophobicContact CD1-CD1 4.06Å; L86-L139 HydrophobicContact CD2-CB 4.11Å; F95-L139 HydrophobicContact CD1-CD1 4.35Å; F95-L139 HydrophobicContact CD1-CD2 4.37Å; F95-L139 HydrophobicContact CE1-CD1 4.41Å; F95-L139 HydrophobicContact CE1-CD2 3.73Å; A135-L139 PolarHBondContact O-N 2.8Å; F136-L139 WeakPolarHBondContact O-CB 3.31Å; F136-L139 PolarHBondContact O-N 3.27Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 2.84Å; L139-Y142 HydrophobicContact CD1-CD1 4.36Å; L139-Y142 WeakPolarHBondContact O-CB 3.27Å; L139-Y142 PolarHBondContact O-N 3.44Å; L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 3.44Å; L139-C143 PolarHBondContact O-SG 3.42Å
140G92.6Very high92.5Very high0 Ų011.2 Ų11.20%06%0.061CC..Hα-helixtrans-66.3-46.6175.400000112.9F136 V137 V138 Y142 C143 F144 F192F136-G140 PolarHBondContact O-N 2.79Å; V137-G140 CarbonylContact O-C 3.48Å; V137-G140 WeakPolarHBondContact O-CA 3.35Å; V137-G140 PolarHBondContact O-N 3.32Å; V138-G140 PolarHBondContact O-N 3.33Å; G140-Y142 VanDerWaalsContact C-N 3.29Å; G140-Y142 PolarHBondContact O-N 3.31Å; G140-C143 WeakPolarHBondContact O-CB 3.28Å; G140-C143 PolarHBondContact O-N 3.49Å; G140-F144 WeakPolarHBondContact O-CB 3.33Å; G140-F144 PolarHBondContact O-N 3.32Å; G140-F192 VanDerWaalsContact CA-CE2 3.48Å
141E90.9Very high92.5Very high20 Ų2011.5 Ų11.59%0.0936%0.062CC..Hα-helixtrans-58.1-43.2172.2-75.9-56.3123.600111.7Y66 V70 F73 L75 V137 V138 F144 A145 Y196Y66-E141 WeakPolarHBondContact CE2-OE1 3.39Å; Y66-E141 PolarHBondContact OH-OE1 2.92Å; Y66-E141 PolarHBondContact OH-OE2 3.25Å; V70-E141 WeakPolarHBondContact CG2-OE2 3.49Å; F73-E141 HydrophobicContact CB-CG 3.97Å; L75-E141 HydrophobicContact CD1-CB 4.13Å; L75-E141 HydrophobicContact CD2-CB 4.48Å; L75-E141 HydrophobicContact CG-CB 4.21Å; V137-E141 PolarHBondContact O-N 2.83Å; V138-E141 PolarHBondContact O-N 3.23Å; E141-F144 PolarHBondContact O-N 2.95Å; E141-A145 PolarHBondContact O-N 3.27Å; E141-Y196 VanDerWaalsContact CD-OH 3.3Å; E141-Y196 HydrophobicContact CG-CE1 4.43Å; E141-Y196 VanDerWaalsContact CG-OH 3.3Å; E141-Y196 WeakPolarHBondContact CG-OH 3.27Å; E141-Y196 WeakPolarHBondContact OE1-CE1 3.42Å; E141-Y196 VanDerWaalsContact OE1-CZ 3.25Å; E141-Y196 PolarHBondContact OE1-OH 2.97Å
142Y90.6Very high92.5Very high7 Ų720.3 Ų20.33%0.0279%0.094CC..Hα-helixtrans-59.1-52.6175.9167.3-92.9000110.5L78 I80 P99 V138 L139 G140 F144 A145 Q146L78-Y142 VanDerWaalsContact O-CE2 3.26Å; L78-Y142 WeakPolarHBondContact O-CE2 3.41Å; I80-Y142 HydrophobicContact CD1-CD1 3.86Å; I80-Y142 HydrophobicContact CD1-CE1 3.55Å; I80-Y142 HydrophobicContact CD1-CE2 4.44Å; I80-Y142 HydrophobicContact CD1-CG 4.42Å; I80-Y142 HydrophobicContact CG1-CD1 3.92Å; I80-Y142 HydrophobicContact CG1-CD2 4Å; I80-Y142 HydrophobicContact CG1-CE1 3.89Å; I80-Y142 HydrophobicContact CG1-CE2 3.95Å; I80-Y142 HydrophobicContact CG1-CG 3.96Å; P99-Y142 VanDerWaalsContact CA-OH 3.29Å; P99-Y142 WeakPolarHBondContact CA-OH 3.25Å; V138-Y142 WeakPolarHBondContact O-CB 3.45Å; V138-Y142 PolarHBondContact O-N 2.83Å; L139-Y142 HydrophobicContact CD1-CD1 4.36Å; L139-Y142 WeakPolarHBondContact O-CB 3.27Å; L139-Y142 PolarHBondContact O-N 3.44Å; G140-Y142 VanDerWaalsContact C-N 3.29Å; G140-Y142 PolarHBondContact O-N 3.31Å; Y142-F144 PolarHBondContact O-N 3.03Å; Y142-A145 PolarHBondContact O-N 2.85Å; Y142-Q146 HydrophobicContact CD1-CG 4.38Å; Y142-Q146 HydrophobicContact CD2-CG 4.4Å; Y142-Q146 HydrophobicContact CE1-CG 4Å; Y142-Q146 HydrophobicContact CE2-CG 4.02Å; Y142-Q146 WeakPolarHBondContact O-CG 3.46Å; Y142-Q146 PolarHBondContact O-N 3.26Å; Y142-Q146 VanDerWaalsContact O-N 3.13Å
143C92.6Very high92.3Very high1 Ų125.1 Ų25.11%0.00712%0.123CC..Hα-helixtrans-54.3-42.9176.1-77.70000111.9L139 G140 Q146 V147 V160L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 3.44Å; L139-C143 PolarHBondContact O-SG 3.42Å; G140-C143 WeakPolarHBondContact O-CB 3.28Å; G140-C143 PolarHBondContact O-N 3.49Å; C143-Q146 PolarHBondContact O-N 3.19Å; C143-V147 WeakPolarHBondContact O-CG2 3.47Å; C143-V147 PolarHBondContact O-N 2.94Å; C143-V160 HydrophobicContact CB-CG2 3.89Å
144F91.8Very high92.2Very high8 Ų827.3 Ų27.34%0.03514%0.136CC..Hα-helixtrans-66-47.1-178.3-169.4-151.8000112.2M39 Y66 G140 E141 Y142 Q146 V147 L148 L199M39-F144 HydrophobicContact CE-CE1 4.32Å; M39-F144 HydrophobicContact CE-CZ 4.22Å; M39-F144 HydrophobicContact CG-CE1 3.78Å; M39-F144 HydrophobicContact CG-CZ 3.82Å; M39-F144 HydrophobicContact SD-CE1 4.38Å; Y66-F144 HydrophobicContact CE1-CE1 4.37Å; Y66-F144 WeakPolarHBondContact OH-CD1 3.44Å; Y66-F144 WeakPolarHBondContact OH-CE1 3.39Å; G140-F144 WeakPolarHBondContact O-CB 3.33Å; G140-F144 PolarHBondContact O-N 3.32Å; E141-F144 PolarHBondContact O-N 2.95Å; Y142-F144 PolarHBondContact O-N 3.03Å; F144-Q146 VanDerWaalsContact C-N 3.26Å; F144-Q146 PolarHBondContact O-N 3.38Å; F144-V147 PolarHBondContact O-N 3.3Å; F144-V147 VanDerWaalsContact O-N 3.16Å; F144-L148 HydrophobicContact CD1-CD1 4.34Å; F144-L148 HydrophobicContact CD2-CD1 4.15Å; F144-L148 HydrophobicContact CD2-CD2 4.39Å; F144-L148 HydrophobicContact CD2-CG 3.93Å; F144-L148 HydrophobicContact CE1-CD1 4.07Å; F144-L148 HydrophobicContact CE2-CD1 3.87Å; F144-L148 HydrophobicContact CE2-CD2 3.7Å; F144-L148 HydrophobicContact CE2-CG 3.7Å; F144-L148 HydrophobicContact CG-CD1 4.39Å; F144-L148 HydrophobicContact CZ-CD1 3.84Å; F144-L148 HydrophobicContact CZ-CD2 4.11Å; F144-L148 HydrophobicContact CZ-CG 4.16Å; F144-L148 WeakPolarHBondContact O-CG 3.32Å; F144-L148 PolarHBondContact O-N 2.89Å; F144-L199 HydrophobicContact CB-CD1 3.6Å; F144-L199 HydrophobicContact CD2-CD1 3.94Å; F144-L199 HydrophobicContact CD2-CD2 3.45Å; F144-L199 VanDerWaalsContact CD2-CD2 3.45Å; F144-L199 HydrophobicContact CD2-CG 4.33Å; F144-L199 HydrophobicContact CE2-CD2 3.93Å; F144-L199 HydrophobicContact CG-CD1 4Å; F144-L199 HydrophobicContact CG-CD2 4.32Å
145A90.5Very high92.1Very high31 Ų3129.4 Ų29.426%0.25616%0.161SC..Hα-helixtrans-59.9-38.2178.300000112.1L78 E141 Y142 L149L78-A145 HydrophobicContact CD2-CB 3.62Å; E141-A145 PolarHBondContact O-N 3.27Å; Y142-A145 PolarHBondContact O-N 2.85Å; A145-L149 WeakPolarHBondContact O-CB 3.44Å; A145-L149 PolarHBondContact O-N 3.09Å
146Q92Very high92Very high0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-66.4-43.9176.4-59.2-79.4-41.200111.4M100 V109 Y142 C143 F144 L149 Q150M100-Q146 HydrophobicContact SD-CB 3.95Å; M100-Q146 PolarHBondContact SD-OE1 3.46Å; V109-Q146 HydrophobicContact CG1-CB 4.05Å; V109-Q146 HydrophobicContact CG2-CB 4.03Å; Y142-Q146 HydrophobicContact CD1-CG 4.38Å; Y142-Q146 HydrophobicContact CD2-CG 4.4Å; Y142-Q146 HydrophobicContact CE1-CG 4Å; Y142-Q146 HydrophobicContact CE2-CG 4.02Å; Y142-Q146 WeakPolarHBondContact O-CG 3.46Å; Y142-Q146 PolarHBondContact O-N 3.26Å; Y142-Q146 VanDerWaalsContact O-N 3.13Å; C143-Q146 PolarHBondContact O-N 3.19Å; F144-Q146 VanDerWaalsContact C-N 3.26Å; F144-Q146 PolarHBondContact O-N 3.38Å; Q146-L149 PolarHBondContact O-N 2.83Å; Q146-Q150 WeakPolarHBondContact O-CB 3.26Å; Q146-Q150 PolarHBondContact O-N 3.4Å
147V93.6Very high91.9Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-59.5-51.1175.2165.80000110.5V109 C143 F144 L149 Q150 E151 V160 L199V109-V147 HydrophobicContact CG2-CG2 4.3Å; C143-V147 WeakPolarHBondContact O-CG2 3.47Å; C143-V147 PolarHBondContact O-N 2.94Å; F144-V147 PolarHBondContact O-N 3.3Å; F144-V147 VanDerWaalsContact O-N 3.16Å; V147-L149 VanDerWaalsContact C-N 3.27Å; V147-L149 PolarHBondContact O-N 3.15Å; V147-Q150 WeakPolarHBondContact O-CB 3.46Å; V147-Q150 PolarHBondContact O-N 3.25Å; V147-E151 HydrophobicContact CG1-CG 4.32Å; V147-E151 VanDerWaalsContact O-CG 3.29Å; V147-E151 WeakPolarHBondContact O-CG 3.26Å; V147-E151 PolarHBondContact O-N 2.86Å; V147-V160 HydrophobicContact CG2-CG2 3.61Å; V147-L199 HydrophobicContact CG1-CD2 4.4Å
148L92.1Very high92Very high25 Ų2537.4 Ų37.413%0.13120%0.199CC..Hα-helixtrans-59.4-38.8-179.9-67.9176000112.4E38 F144 R152E38-L148 HydrophobicContact CB-CD1 4.15Å; F144-L148 HydrophobicContact CD1-CD1 4.34Å; F144-L148 HydrophobicContact CD2-CD1 4.15Å; F144-L148 HydrophobicContact CD2-CD2 4.39Å; F144-L148 HydrophobicContact CD2-CG 3.93Å; F144-L148 HydrophobicContact CE1-CD1 4.07Å; F144-L148 HydrophobicContact CE2-CD1 3.87Å; F144-L148 HydrophobicContact CE2-CD2 3.7Å; F144-L148 HydrophobicContact CE2-CG 3.7Å; F144-L148 HydrophobicContact CG-CD1 4.39Å; F144-L148 HydrophobicContact CZ-CD1 3.84Å; F144-L148 HydrophobicContact CZ-CD2 4.11Å; F144-L148 HydrophobicContact CZ-CG 4.16Å; F144-L148 WeakPolarHBondContact O-CG 3.32Å; F144-L148 PolarHBondContact O-N 2.89Å; L148-R152 PolarHBondContact O-N 3.45Å; L148-R152 VanDerWaalsContact O-N 3.09Å
149L91.7Very high92.2Very high67 Ų6737.4 Ų37.435%0.35120%0.2SC..Hα-helixtrans-64.1-44.9174.3-177.160.7000111.4M100 A145 Q146 V147 E151 R152 V153M100-L149 HydrophobicContact CE-CB 4.1Å; M100-L149 HydrophobicContact CE-CD2 3.87Å; M100-L149 HydrophobicContact CE-CG 3.82Å; M100-L149 HydrophobicContact CG-CD2 4.04Å; M100-L149 HydrophobicContact SD-CB 4.22Å; M100-L149 HydrophobicContact SD-CD2 3.86Å; M100-L149 HydrophobicContact SD-CG 4.26Å; A145-L149 WeakPolarHBondContact O-CB 3.44Å; A145-L149 PolarHBondContact O-N 3.09Å; Q146-L149 PolarHBondContact O-N 2.83Å; V147-L149 VanDerWaalsContact C-N 3.27Å; V147-L149 PolarHBondContact O-N 3.15Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E151 PolarHBondContact O-N 2.76Å; L149-R152 PolarHBondContact O-N 3.28Å; L149-V153 VanDerWaalsContact O-CG2 3.32Å; L149-V153 WeakPolarHBondContact O-CG2 3.19Å; L149-V153 PolarHBondContact O-N 2.83Å
150Q93.8Very high92.4Very high15 Ų1537 Ų377%0.0720%0.197CC..Hα-helixtrans-63.7-39.9179.1-17758.812.400112.2M100 I102 N107 V109 Q146 V147 V153 T154M100-Q150 HydrophobicContact CE-CB 3.95Å; I102-Q150 HydrophobicContact CD1-CB 4.37Å; I102-Q150 HydrophobicContact CD1-CG 3.98Å; N107-Q150 PolarHBondContact OD1-NE2 2.91Å; V109-Q150 HydrophobicContact CG2-CB 4.37Å; Q146-Q150 WeakPolarHBondContact O-CB 3.26Å; Q146-Q150 PolarHBondContact O-N 3.4Å; V147-Q150 WeakPolarHBondContact O-CB 3.46Å; V147-Q150 PolarHBondContact O-N 3.25Å; Q150-V153 PolarHBondContact O-N 2.8Å; Q150-T154 WeakPolarHBondContact O-CB 3.27Å; Q150-T154 PolarHBondContact O-N 3.32Å; Q150-T154 PolarHBondContact O-OG1 3.18Å
151E93.9Very high92.6Very high7 Ų737 Ų373%0.03320%0.197CC..Hα-helixtrans-63.8-41.3176-67.6-174.3141.100111.9F43 R47 V147 L149 V153 G155 Q156 S158F43-E151 WeakPolarHBondContact CB-OE1 3.4Å; F43-E151 HydrophobicContact CD2-CB 4.08Å; F43-E151 HydrophobicContact CD2-CG 4.34Å; R47-E151 IonicContact CZ-OE1 2.68Å; R47-E151 IonicContact NH1-OE1 3.34Å; R47-E151 IonicContact NH1-OE2 3.85Å; R47-E151 IonicContact NH2-OE1 3.82Å; R47-E151 PolarHBondContact NH2-OE1 3.34Å; R47-E151 IonicContact NH2-OE2 2.91Å; V147-E151 HydrophobicContact CG1-CG 4.32Å; V147-E151 VanDerWaalsContact O-CG 3.29Å; V147-E151 WeakPolarHBondContact O-CG 3.26Å; V147-E151 PolarHBondContact O-N 2.86Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E151 PolarHBondContact O-N 2.76Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.24Å; E151-G155 WeakPolarHBondContact O-CA 3.41Å; E151-G155 PolarHBondContact O-N 2.91Å; E151-Q156 WeakPolarHBondContact CG-O 3.38Å; E151-S158 PolarHBondContact OE1-N 2.98Å
152R91.7Very high92.8Very high201 Ų20136.9 Ų36.976%0.75820%0.197SC*.Hα-helixtrans-63.3-40.6174.9-179.4-179.6-76.3175-3111.9L148 L149L148-R152 PolarHBondContact O-N 3.45Å; L148-R152 VanDerWaalsContact O-N 3.09Å; L149-R152 PolarHBondContact O-N 3.28Å
153V91.7Very high93Very high102 Ų10236.6 Ų36.662%0.61820%0.196SC*.Hα-helixtrans-69.9-41.2-179.1169.70000111.7L149 Q150 E151L149-V153 VanDerWaalsContact O-CG2 3.32Å; L149-V153 WeakPolarHBondContact O-CG2 3.19Å; L149-V153 PolarHBondContact O-N 2.83Å; Q150-V153 PolarHBondContact O-N 2.8Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.24Å
154T93Very high93.1Very high46 Ų4638.8 Ų38.828%0.28221%0.207SC..Hα-helixtrans-97.6-20.1-171.5570000114.6N107 Q150 Q156N107-T154 PolarHBondContact ND2-OG1 3.42Å; N107-T154 VanDerWaalsContact ND2-OG1 3.14Å; N107-T154 WeakPolarHBondContact OD1-CG2 3.31Å; Q150-T154 WeakPolarHBondContact O-CB 3.27Å; Q150-T154 PolarHBondContact O-N 3.32Å; Q150-T154 PolarHBondContact O-OG1 3.18Å; T154-Q156 PolarHBondContact O-N 2.97Å; T154-Q156 PolarHBondContact OG1-N 3.46Å
155G90.2Very high93.1Very high54 Ų5439 Ų3956%0.55721%0.208SC*.SBendtrans64.219.7-170.300000113.2F43 E151F43-G155 WeakPolarHBondContact CZ-O 3.29Å; E151-G155 WeakPolarHBondContact O-CA 3.41Å; E151-G155 PolarHBondContact O-N 2.91Å
156Q91.3Very high93.1Very high121 Ų12137.7 Ų37.757%0.56520%0.198SC*.SBendtrans-125.8151.4-179-64.8-17923.700110.2N107 E151 T154 S158N107-Q156 PolarHBondContact ND2-O 3.11Å; E151-Q156 WeakPolarHBondContact CG-O 3.38Å; T154-Q156 PolarHBondContact O-N 2.97Å; T154-Q156 PolarHBondContact OG1-N 3.46Å; Q156-S158 PolarHBondContact O-N 3.27Å
157E91.2Very high92.9Very high60 Ų6042.5 Ų42.528%0.2822%0.222SC..  trans-58.1135.2174.2-167.2-177.9-179.100109.7C10 F43 N107C10-E157 PolarHBondContact SG-OE2 3.07Å; F43-E157 HydrophobicContact CB-CG 4.46Å; F43-E157 HydrophobicContact CD1-CB 3.65Å; F43-E157 HydrophobicContact CD1-CG 4.17Å; F43-E157 HydrophobicContact CE1-CB 4.08Å; F43-E157 HydrophobicContact CG-CB 4.38Å; N107-E157 PolarHBondContact ND2-O 3.39Å; N107-E157 VanDerWaalsContact ND2-O 3.12Å
158S94.3Very high92.5Very high8 Ų846.4 Ų46.46%0.05624%0.241CC..  trans-121.5-179.4176.3-172.20000110.6R47 N107 E151 Q156R47-S158 PolarHBondContact NH2-O 3.44Å; N107-S158 WeakPolarHBondContact O-CB 3.26Å; N107-S158 PolarHBondContact O-OG 3.4Å; E151-S158 PolarHBondContact OE1-N 2.98Å; Q156-S158 PolarHBondContact O-N 3.27Å
159G94.8Very high92Very high2 Ų246 Ų462%0.02124%0.238CC..  trans-173.6-170.917900000110.1T108 V109 L199T108-G159 CarbonylContact C-O 3.4Å; T108-G159 VanDerWaalsContact CA-O 3.3Å; T108-G159 WeakPolarHBondContact CA-O 3.46Å; T108-G159 WeakPolarHBondContact CB-O 3.42Å; V109-G159 PolarHBondContact N-O 2.91Å; G159-L199 CarbonylContact C-O 3.51Å; G159-L199 WeakPolarHBondContact CA-O 3.11Å
160V96Very high91.3Very high1 Ų146.3 Ų46.31%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-115.6130.3-177.9-173.90000111.3V109 V111 C143 V147 F162 L199 R201 R202V109-V160 WeakPolarHBondContact O-CA 3.24Å; V111-V160 HydrophobicContact CB-CG1 4.36Å; V111-V160 HydrophobicContact CG2-CG1 3.87Å; C143-V160 HydrophobicContact CB-CG2 3.89Å; V147-V160 HydrophobicContact CG2-CG2 3.61Å; V160-F162 HydrophobicContact CB-CE2 4.12Å; V160-F162 HydrophobicContact CG1-CD1 4.47Å; V160-F162 HydrophobicContact CG1-CD2 3.88Å; V160-F162 HydrophobicContact CG1-CE1 4.17Å; V160-F162 HydrophobicContact CG1-CE2 3.52Å; V160-F162 HydrophobicContact CG1-CG 4.35Å; V160-F162 HydrophobicContact CG1-CZ 3.68Å; V160-L199 HydrophobicContact CG2-CB 4.4Å; V160-L199 PolarHBondContact N-O 3.05Å; V160-R201 PolarHBondContact O-N 3.38Å; V160-R202 PolarHBondContact O-N 2.8Å
161T96.5Very high90.3Very high0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-106.3111.5168.2-68.50000108.4T108 V109 V110 V111 R202 L204 I247T108-T161 WeakPolarHBondContact CB-OG1 3.39Å; T108-T161 PolarHBondContact OG1-OG1 2.92Å; V109-T161 PolarHBondContact O-N 2.97Å; V110-T161 WeakPolarHBondContact CA-O 3.39Å; V111-T161 PolarHBondContact N-O 2.87Å; T161-R202 WeakPolarHBondContact CA-O 3.46Å; T161-R202 HydrophobicContact CG2-CB 4.05Å; T161-L204 HydrophobicContact CG2-CD1 4.44Å; T161-I247 HydrophobicContact CG2-CD1 3.97Å
162F95.9Very high89.4Confident19 Ų1949.7 Ų49.78%0.08326%0.258CS..EExtended strand (participates in β ladder)trans-85.7130.5171.8-70.2-81.1000109.9V111 V113 V160 F192 I200 R202 I203 L204V111-F162 HydrophobicContact CB-CD1 3.8Å; V111-F162 HydrophobicContact CB-CE1 3.84Å; V111-F162 HydrophobicContact CG1-CD1 3.95Å; V111-F162 HydrophobicContact CG1-CE1 3.82Å; V111-F162 HydrophobicContact CG2-CE1 4.38Å; V111-F162 WeakPolarHBondContact O-CA 3.2Å; V113-F162 HydrophobicContact CG2-CD1 4.04Å; V160-F162 HydrophobicContact CB-CE2 4.12Å; V160-F162 HydrophobicContact CG1-CD1 4.47Å; V160-F162 HydrophobicContact CG1-CD2 3.88Å; V160-F162 HydrophobicContact CG1-CE1 4.17Å; V160-F162 HydrophobicContact CG1-CE2 3.52Å; V160-F162 HydrophobicContact CG1-CG 4.35Å; V160-F162 HydrophobicContact CG1-CZ 3.68Å; F162-F192 HydrophobicContact CE2-CZ 4.36Å; F162-F192 AromaticContact CZ-CZ 3.95Å; F162-F192 HydrophobicContact CZ-CZ 3.95Å; F162-I200 HydrophobicContact CE2-CG1 4.22Å; F162-R202 PolarHBondContact N-O 2.85Å; F162-I203 HydrophobicContact CB-CG1 4.41Å; F162-I203 HydrophobicContact CD2-CG1 4.4Å; F162-I203 WeakPolarHBondContact O-CA 3.38Å; F162-L204 PolarHBondContact O-N 2.76Å
163I95.4Very high88.5Confident1 Ų143 Ų431%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-106.6112.4163.6-48.4-177000107.3V110 V111 L112 V113 L204 V206 I247 L252 L256V110-I163 HydrophobicContact CG1-CD1 3.91Å; V110-I163 HydrophobicContact CG1-CG1 4.06Å; V111-I163 PolarHBondContact O-N 3.14Å; L112-I163 HydrophobicContact CD2-CB 3.71Å; L112-I163 HydrophobicContact CD2-CD1 3.55Å; L112-I163 HydrophobicContact CD2-CG1 3.9Å; L112-I163 HydrophobicContact CD2-CG2 4.39Å; V113-I163 PolarHBondContact N-O 3.12Å; I163-L204 CarbonylContact C-O 3.58Å; I163-L204 WeakPolarHBondContact CA-O 3.48Å; I163-V206 HydrophobicContact CG2-CG1 4.29Å; I163-V206 HydrophobicContact CG2-CG2 4.13Å; I163-I247 HydrophobicContact CD1-CD1 3.29Å; I163-I247 HydrophobicContact CG1-CD1 3.69Å; I163-L252 HydrophobicContact CD1-CD1 3.81Å; I163-L256 HydrophobicContact CG2-CD1 3.88Å
164I93.9Very high87.5Confident46 Ų4640 Ų4024%0.23622%0.218CC..EExtended strand (participates in β ladder)trans-98.3104.3177-53.3-178.9000107.9V113 P115 I203 L204 I205 V206V113-I164 CarbonylContact O-C 3.6Å; V113-I164 VanDerWaalsContact O-CA 3.27Å; V113-I164 WeakPolarHBondContact O-CA 3.33Å; P115-I164 HydrophobicContact CG-CG2 4.3Å; I164-I203 HydrophobicContact CD1-CG2 3.53Å; I164-I203 HydrophobicContact CG1-CG2 4.13Å; I164-L204 PolarHBondContact N-O 3.19Å; I164-I205 HydrophobicContact CB-CG1 4.45Å; I164-I205 WeakPolarHBondContact O-CA 3.47Å; I164-V206 PolarHBondContact O-N 3.23Å
165D92.8Very high86.3Confident12 Ų1241 Ų416%0.06422%0.22CC..EExtended strand (participates in β ladder)trans-89.8106.8177.2-17910.2000110.8V113 K114 P115 I167 V206 N207V113-D165 PolarHBondContact O-N 3.3Å; K114-D165 HydrophobicContact CB-CB 4.5Å; K114-D165 HydrophobicContact CD-CB 4.4Å; K114-D165 HydrophobicContact CG-CB 4.28Å; K114-D165 IonicContact NZ-OD2 3.63Å; P115-D165 WeakPolarHBondContact CD-O 3.34Å; D165-I167 WeakPolarHBondContact OD1-CB 3.39Å; D165-I167 WeakPolarHBondContact OD1-CG2 3.26Å; D165-I167 PolarHBondContact OD1-N 3.12Å; D165-I167 VanDerWaalsContact OD1-N 3.08Å; D165-I167 WeakPolarHBondContact OD2-CG2 3.29Å; D165-V206 HydrophobicContact CB-CG2 3.89Å; D165-N207 WeakPolarHBondContact OD1-CB 3.36Å; D165-N207 PolarHBondContact OD1-ND2 3.47Å
166C90.4Very high85.5Confident5 Ų544.7 Ų44.73%0.03422%0.223CC..  trans-90.111.4-177.1-65.10000114.3E168 F169 I171 V206 N207 A208C166-E168 PolarHBondContact O-N 2.94Å; C166-E168 VanDerWaalsContact O-N 3.14Å; C166-F169 HydrophobicContact CB-CB 4.3Å; C166-F169 WeakPolarHBondContact O-CA 3.26Å; C166-F169 PolarHBondContact O-N 3.28Å; C166-I171 HydrophobicContact CB-CD1 4.04Å; C166-I171 HydrophobicContact CB-CG1 4.5Å; C166-V206 WeakPolarHBondContact CB-O 3.35Å; C166-V206 PolarHBondContact N-O 3.47Å; C166-N207 CarbonylContact C-O 3.56Å; C166-A208 HydrophobicContact CB-CB 4.3Å
167I88Confident84.4Confident101 Ų10146 Ų4652%0.51823%0.227SC..THydrogen-bonded Turntrans-56.5-33.8-175.4-167.2169.6000114.2K114 D165 N207K114-I167 HydrophobicContact CD-CG2 4.38Å; D165-I167 WeakPolarHBondContact OD1-CB 3.39Å; D165-I167 WeakPolarHBondContact OD1-CG2 3.26Å; D165-I167 PolarHBondContact OD1-N 3.12Å; D165-I167 VanDerWaalsContact OD1-N 3.08Å; D165-I167 WeakPolarHBondContact OD2-CG2 3.29Å; I167-N207 HydrophobicContact CB-CB 3.72Å; I167-N207 HydrophobicContact CG1-CB 4.41Å
168E83.9Confident83.7Confident82 Ų8250.5 Ų50.538%0.38325%0.246SC..THydrogen-bonded Turntrans-98.99.4178.3-80164.6-145.600113R94 K114 G117 C166R94-E168 IonicContact CZ-OE1 3.34Å; R94-E168 IonicContact CZ-OE2 3.99Å; R94-E168 IonicContact NE-OE2 2.95Å; R94-E168 IonicContact NH2-OE1 2.69Å; R94-E168 PolarHBondContact NH2-OE1 3.49Å; R94-E168 IonicContact NH2-OE2 2.72Å; R94-E168 PolarHBondContact NH2-OE2 2.84Å; K114-E168 WeakPolarHBondContact CE-OE1 3.32Å; K114-E168 IonicContact NZ-OE1 3.04Å; K114-E168 PolarHBondContact NZ-OE1 3.24Å; G117-E168 WeakPolarHBondContact CA-O 3.37Å; G117-E168 PolarHBondContact N-O 3.49Å; C166-E168 PolarHBondContact O-N 2.94Å; C166-E168 VanDerWaalsContact O-N 3.14Å
169F82.2Confident83.3Confident17 Ų1751.4 Ų51.48%0.07525%0.25CS..  trans-122.5109.1-168.7-170.2-102.2000111.6P115 M120 C166 I171 L174P115-F169 HydrophobicContact CB-CB 4.24Å; P115-F169 HydrophobicContact CB-CD2 3.71Å; P115-F169 HydrophobicContact CB-CE2 4.32Å; P115-F169 HydrophobicContact CB-CG 3.92Å; P115-F169 HydrophobicContact CG-CB 3.83Å; P115-F169 HydrophobicContact CG-CD1 4.3Å; P115-F169 HydrophobicContact CG-CD2 4.13Å; P115-F169 HydrophobicContact CG-CG 3.79Å; M120-F169 HydrophobicContact CB-CE2 4.01Å; M120-F169 HydrophobicContact CE-CE2 4.24Å; M120-F169 HydrophobicContact CG-CE2 3.88Å; C166-F169 HydrophobicContact CB-CB 4.3Å; C166-F169 WeakPolarHBondContact O-CA 3.26Å; C166-F169 PolarHBondContact O-N 3.28Å; F169-I171 HydrophobicContact CD1-CG1 3.8Å; F169-I171 HydrophobicContact CE1-CG1 4.13Å; F169-I171 PolarHBondContact O-N 3.07Å; F169-L174 HydrophobicContact CE1-CD1 3.27Å; F169-L174 HydrophobicContact CE1-CD2 4.39Å; F169-L174 HydrophobicContact CE1-CG 3.56Å; F169-L174 HydrophobicContact CZ-CD1 3.46Å; F169-L174 VanDerWaalsContact CZ-CD1 3.46Å; F169-L174 HydrophobicContact CZ-CD2 3.77Å; F169-L174 HydrophobicContact CZ-CG 3.42Å; F169-L174 VanDerWaalsContact CZ-CG 3.42Å
170D76.1Confident83Confident73 Ų7353.1 Ų53.139%0.3926%0.261SS..  trans-75.899.9173.1178.319.3000110.7N172 N173D170-N172 PolarHBondContact O-N 3.46Å; D170-N172 VanDerWaalsContact OD1-CB 3.25Å; D170-N172 WeakPolarHBondContact OD1-CB 3.47Å; D170-N172 PolarHBondContact OD1-N 3.43Å; D170-N172 PolarHBondContact OD1-ND2 2.75Å; D170-N173 WeakPolarHBondContact CB-ND2 3.14Å; D170-N173 WeakPolarHBondContact O-CB 3.49Å; D170-N173 PolarHBondContact O-N 3.17Å; D170-N173 VanDerWaalsContact O-N 3.15Å; D170-N173 PolarHBondContact O-ND2 3.42Å; D170-N173 PolarHBondContact OD2-ND2 3Å; D170-N173 VanDerWaalsContact OD2-ND2 3.16Å
171I74.2Confident82.7Confident6 Ų653.2 Ų53.23%0.03126%0.262CS..G310 helixtrans-59.8-25179.2-69.4169.3000112.2C166 F169 N173 L174 A208 M211 L215C166-I171 HydrophobicContact CB-CD1 4.04Å; C166-I171 HydrophobicContact CB-CG1 4.5Å; F169-I171 HydrophobicContact CD1-CG1 3.8Å; F169-I171 HydrophobicContact CE1-CG1 4.13Å; F169-I171 PolarHBondContact O-N 3.07Å; I171-N173 PolarHBondContact O-N 2.9Å; I171-N173 VanDerWaalsContact O-N 3.15Å; I171-L174 PolarHBondContact O-N 3.4Å; I171-A208 HydrophobicContact CD1-CB 3.35Å; I171-A208 WeakPolarHBondContact CD1-O 3.48Å; I171-M211 HydrophobicContact CB-CB 4.36Å; I171-M211 HydrophobicContact CG2-CB 3.97Å; I171-L215 HydrophobicContact CD1-CD2 3.73Å; I171-L215 HydrophobicContact CG1-CD2 4.12Å; I171-L215 HydrophobicContact CG2-CB 3.97Å; I171-L215 HydrophobicContact CG2-CD1 4.34Å; I171-L215 HydrophobicContact CG2-CD2 4.28Å; I171-L215 HydrophobicContact CG2-CG 4.43Å
172N75.2Confident82.3Confident86 Ų8654.3 Ų54.346%0.4627%0.268SS..G310 helixtrans-58-32177.5-64.1-58.6000111.7D170 L174 M175 M211D170-N172 PolarHBondContact O-N 3.46Å; D170-N172 VanDerWaalsContact OD1-CB 3.25Å; D170-N172 WeakPolarHBondContact OD1-CB 3.47Å; D170-N172 PolarHBondContact OD1-N 3.43Å; D170-N172 PolarHBondContact OD1-ND2 2.75Å; N172-L174 PolarHBondContact O-N 3.07Å; N172-M175 PolarHBondContact O-N 3.2Å; N172-M211 WeakPolarHBondContact OD1-CG 3.28Å
173N71Confident82Confident60 Ų6056.3 Ų56.332%0.32128%0.276SS..G310 helixtrans-65.6-19.1176.6-64.9-49.8000113.5M121 D170 I171M121-N173 HydrophobicContact SD-CB 4.23Å; D170-N173 WeakPolarHBondContact CB-ND2 3.14Å; D170-N173 WeakPolarHBondContact O-CB 3.49Å; D170-N173 PolarHBondContact O-N 3.17Å; D170-N173 VanDerWaalsContact O-N 3.15Å; D170-N173 PolarHBondContact O-ND2 3.42Å; D170-N173 PolarHBondContact OD2-ND2 3Å; D170-N173 VanDerWaalsContact OD2-ND2 3.16Å; I171-N173 PolarHBondContact O-N 2.9Å; I171-N173 VanDerWaalsContact O-N 3.15Å
174L70.8Confident81.8Confident39 Ų3956.5 Ų56.520%0.20428%0.276CS..G310 helixtrans-93-10.1177.5-63.7-173.9000114.7F169 I171 N172 H176 V182 L185F169-L174 HydrophobicContact CE1-CD1 3.27Å; F169-L174 HydrophobicContact CE1-CD2 4.39Å; F169-L174 HydrophobicContact CE1-CG 3.56Å; F169-L174 HydrophobicContact CZ-CD1 3.46Å; F169-L174 VanDerWaalsContact CZ-CD1 3.46Å; F169-L174 HydrophobicContact CZ-CD2 3.77Å; F169-L174 HydrophobicContact CZ-CG 3.42Å; F169-L174 VanDerWaalsContact CZ-CG 3.42Å; I171-L174 PolarHBondContact O-N 3.4Å; N172-L174 PolarHBondContact O-N 3.07Å; L174-H176 PolarHBondContact O-N 3.14Å; L174-H176 VanDerWaalsContact O-N 3.13Å; L174-V182 HydrophobicContact CB-CG2 4.15Å; L174-V182 HydrophobicContact CD2-CG2 3.61Å; L174-V182 HydrophobicContact CG-CG2 4.48Å; L174-L185 HydrophobicContact CD2-CD1 4.44Å
175M69.1Low81.7Confident69 Ų6955.2 Ų55.234%0.3427%0.27SS..SBendtrans-68.9-16.2-171-68.2-58.3-64.300113.4N172 N214N172-M175 PolarHBondContact O-N 3.2Å; M175-N214 HydrophobicContact CE-CB 4.06Å
176H72.5Confident81.6Confident130 Ų13056.9 Ų56.960%0.60229%0.286SS*.  trans-99.9108.8177.8-64.4-67.2000111.6L174 F178 V179L174-H176 PolarHBondContact O-N 3.14Å; L174-H176 VanDerWaalsContact O-N 3.13Å; H176-F178 PolarHBondContact O-N 2.82Å; H176-V179 HydrophobicContact CB-CG2 3.66Å; H176-V179 WeakPolarHBondContact O-CB 3.45Å; H176-V179 WeakPolarHBondContact O-CG2 3.08Å; H176-V179 PolarHBondContact O-N 3.49Å
177K69.4Low81.6Confident149 Ų14956.8 Ų56.865%0.64829%0.285SS*.THydrogen-bonded Turntrans-54.7-22.6178.769.8179.5-175.9176.30115.5R183K177-R183 VanDerWaalsContact O-CG 3.27Å; K177-R183 WeakPolarHBondContact O-CG 3.28Å
178F75.1Confident81.9Confident155 Ų15552 Ų5268%0.6826%0.26SS*.THydrogen-bonded Turntrans-87.2-7.4-179.7-62.5-66.4000113.6H176 P180H176-F178 PolarHBondContact O-N 2.82Å; F178-P180 WeakPolarHBondContact O-CD 3.29Å
179V85.9Confident82.3Confident26 Ų2650.8 Ų50.816%0.15826%0.256CS..SBendtrans-63.1128.6175.6168.40000108.8M121 H176 V181 V182 R183M121-V179 HydrophobicContact CE-CG1 3.87Å; M121-V179 HydrophobicContact SD-CG1 4.26Å; H176-V179 HydrophobicContact CB-CG2 3.66Å; H176-V179 WeakPolarHBondContact O-CB 3.45Å; H176-V179 WeakPolarHBondContact O-CG2 3.08Å; H176-V179 PolarHBondContact O-N 3.49Å; V179-V181 VanDerWaalsContact C-N 3.27Å; V179-V181 HydrophobicContact CG1-CG1 3.68Å; V179-V181 PolarHBondContact O-N 3.29Å; V179-V181 VanDerWaalsContact O-N 3.16Å; V179-V182 HydrophobicContact CB-CB 4.23Å; V179-V182 HydrophobicContact CB-CG2 3.8Å; V179-V182 HydrophobicContact CG1-CG2 4.06Å; V179-V182 WeakPolarHBondContact O-CB 3.35Å; V179-V182 PolarHBondContact O-N 3.01Å; V179-R183 PolarHBondContact O-N 3.09Å; V179-R183 VanDerWaalsContact O-N 3.07Å
180P89.6Confident82.7Confident39 Ų3952.6 Ų52.625%0.25327%0.266SS..Hα-helixtrans-52.3-40.8-175.3-34.238.8000114.9P124 F178 R183 M184 P353 L354P124-P180 HydrophobicContact CB-CB 3.84Å; P124-P180 HydrophobicContact CG-CB 3.75Å; F178-P180 WeakPolarHBondContact O-CD 3.29Å; P180-R183 PolarHBondContact O-N 2.94Å; P180-M184 PolarHBondContact O-N 3.43Å; P180-M184 VanDerWaalsContact O-N 3.11Å; P180-P353 HydrophobicContact CB-CB 3.71Å; P180-P353 HydrophobicContact CB-CG 3.78Å; P180-P353 HydrophobicContact CG-CB 4.36Å; P180-P353 WeakPolarHBondContact O-CG 3.21Å; P180-L354 HydrophobicContact CB-CD2 3.88Å; P180-L354 HydrophobicContact CB-CG 4.29Å; P180-L354 HydrophobicContact CG-CD2 3.59Å; P180-L354 HydrophobicContact CG-CG 4.5Å
181V89.3Confident83.4Confident2 Ų249.4 Ų49.41%0.01225%0.249CC..Hα-helixtrans-69.4-36.2177.865.20000112.6M120 M121 M123 P124 V179 R183 M184 L185M120-V181 HydrophobicContact CG-CG1 4.33Å; M120-V181 HydrophobicContact CG-CG2 3.62Å; M120-V181 WeakPolarHBondContact O-CG2 3.41Å; M120-V181 HydrophobicContact SD-CG2 3.88Å; M121-V181 HydrophobicContact SD-CG1 3.78Å; M123-V181 HydrophobicContact CB-CG2 4.33Å; M123-V181 HydrophobicContact SD-CG2 4.15Å; P124-V181 HydrophobicContact CG-CB 3.79Å; V179-V181 VanDerWaalsContact C-N 3.27Å; V179-V181 HydrophobicContact CG1-CG1 3.68Å; V179-V181 PolarHBondContact O-N 3.29Å; V179-V181 VanDerWaalsContact O-N 3.16Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 3.4Å; V181-M184 PolarHBondContact O-N 2.94Å; V181-L185 HydrophobicContact CG2-CD1 4.02Å; V181-L185 HydrophobicContact CG2-CG 4.11Å; V181-L185 VanDerWaalsContact O-CG 3.32Å; V181-L185 WeakPolarHBondContact O-CG 3.22Å; V181-L185 PolarHBondContact O-N 2.93Å
182V88Confident84.3Confident23 Ų2349.7 Ų49.714%0.13925%0.25CS..Hα-helixtrans-61.3-44.2174.8178.70000110.4L174 V179 M184 L185 A186L174-V182 HydrophobicContact CB-CG2 4.15Å; L174-V182 HydrophobicContact CD2-CG2 3.61Å; L174-V182 HydrophobicContact CG-CG2 4.48Å; V179-V182 HydrophobicContact CB-CB 4.23Å; V179-V182 HydrophobicContact CB-CG2 3.8Å; V179-V182 HydrophobicContact CG1-CG2 4.06Å; V179-V182 WeakPolarHBondContact O-CB 3.35Å; V179-V182 PolarHBondContact O-N 3.01Å; V182-M184 PolarHBondContact O-N 3.08Å; V182-L185 PolarHBondContact O-N 3.29Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 2.92Å
183R89.2Confident85Confident62 Ų6246 Ų4623%0.23423%0.23CC..Hα-helixtrans-60.9-43.4177-67-177.964.8-1783.9112.1K177 V179 P180 V181 T187 S324 P353K177-R183 VanDerWaalsContact O-CG 3.27Å; K177-R183 WeakPolarHBondContact O-CG 3.28Å; V179-R183 PolarHBondContact O-N 3.09Å; V179-R183 VanDerWaalsContact O-N 3.07Å; P180-R183 PolarHBondContact O-N 2.94Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 3.4Å; R183-T187 WeakPolarHBondContact O-CB 3.36Å; R183-T187 PolarHBondContact O-N 3.29Å; R183-T187 PolarHBondContact O-OG1 3.47Å; R183-S324 PolarHBondContact NH2-O 2.97Å; R183-P353 HydrophobicContact CB-CB 4.23Å
184M91.9Very high85.8Confident4 Ų447.1 Ų47.12%0.0223%0.23CC..Hα-helixtrans-64.5-47.6177.2-75.9173.476.800112.3P124 L127 V132 P180 V181 V182 T187 A188 P353P124-M184 WeakPolarHBondContact CA-SD 3.48Å; P124-M184 HydrophobicContact CB-SD 3.54Å; P124-M184 VanDerWaalsContact CB-SD 3.54Å; P124-M184 HydrophobicContact CG-SD 3.73Å; L127-M184 WeakPolarHBondContact O-CE 3.49Å; V132-M184 HydrophobicContact CB-CE 4.2Å; V132-M184 HydrophobicContact CG2-CE 3.45Å; V132-M184 VanDerWaalsContact CG2-CE 3.45Å; P180-M184 PolarHBondContact O-N 3.43Å; P180-M184 VanDerWaalsContact O-N 3.11Å; V181-M184 PolarHBondContact O-N 2.94Å; V182-M184 PolarHBondContact O-N 3.08Å; M184-T187 PolarHBondContact O-N 2.89Å; M184-A188 WeakPolarHBondContact O-CB 3.11Å; M184-A188 PolarHBondContact O-N 3.36Å; M184-P353 HydrophobicContact CG-CG 3.8Å; M184-P353 HydrophobicContact SD-CG 3.97Å
185L91.2Very high86.6Confident19 Ų1945.4 Ų45.410%0.09922%0.221CC..Hα-helixtrans-65.6-40.5178.9-65.7179.6000111.8F93 M120 M123 F136 L174 V181 V182 T187 A188 L189F93-L185 HydrophobicContact CE2-CD2 4.1Å; F93-L185 HydrophobicContact CZ-CD1 4.41Å; F93-L185 HydrophobicContact CZ-CD2 3.67Å; M120-L185 HydrophobicContact SD-CD1 4.13Å; M123-L185 HydrophobicContact CE-CD2 4.43Å; M123-L185 HydrophobicContact SD-CD2 4.31Å; F136-L185 HydrophobicContact CE2-CD2 4.35Å; F136-L185 HydrophobicContact CZ-CD2 4.11Å; L174-L185 HydrophobicContact CD2-CD1 4.44Å; V181-L185 HydrophobicContact CG2-CD1 4.02Å; V181-L185 HydrophobicContact CG2-CG 4.11Å; V181-L185 VanDerWaalsContact O-CG 3.32Å; V181-L185 WeakPolarHBondContact O-CG 3.22Å; V181-L185 PolarHBondContact O-N 2.93Å; V182-L185 PolarHBondContact O-N 3.29Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 3.05Å; L185-A188 PolarHBondContact O-N 3.4Å; L185-L189 WeakPolarHBondContact O-CB 3.35Å; L185-L189 VanDerWaalsContact O-CG 3.27Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.15Å
186A89.8Confident87.7Confident48 Ų4842.2 Ų42.240%0.39721%0.205SC..Hα-helixtrans-61.6-40.8174.700000111.7V182 L189 L190V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 2.92Å; A186-L189 PolarHBondContact O-N 2.96Å; A186-L190 WeakPolarHBondContact O-CB 3.29Å; A186-L190 PolarHBondContact O-N 3.35Å
187T91.9Very high88.6Confident3 Ų336 Ų362%0.01818%0.177CC..Hα-helixtrans-66.1-43.5176.3-57.30000111.7V133 R183 M184 L185 L190 Q191 N326 I349 C351V133-T187 HydrophobicContact CG2-CG2 4.08Å; R183-T187 WeakPolarHBondContact O-CB 3.36Å; R183-T187 PolarHBondContact O-N 3.29Å; R183-T187 PolarHBondContact O-OG1 3.47Å; M184-T187 PolarHBondContact O-N 2.89Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 3.05Å; T187-L190 WeakPolarHBondContact O-CB 3.33Å; T187-L190 PolarHBondContact O-N 2.75Å; T187-Q191 PolarHBondContact O-N 3.16Å; T187-N326 PolarHBondContact OG1-OD1 3.01Å; T187-I349 HydrophobicContact CG2-CB 4.33Å; T187-I349 HydrophobicContact CG2-CG2 3.94Å; T187-I349 WeakPolarHBondContact CG2-O 3.32Å; T187-C351 HydrophobicContact CG2-CB 4.42Å; T187-C351 PolarHBondContact OG1-SG 2.94Å; T187-C351 VanDerWaalsContact OG1-SG 3.34Å
188A93.9Very high89.6Confident0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-64.7-40.8176.500000112V132 V133 F136 M184 L185 Q191 F192V132-A188 HydrophobicContact CG1-CB 3.96Å; V133-A188 HydrophobicContact CG2-CB 4.27Å; F136-A188 HydrophobicContact CB-CB 4.11Å; F136-A188 HydrophobicContact CD1-CB 3.94Å; F136-A188 HydrophobicContact CD2-CB 3.88Å; F136-A188 HydrophobicContact CE1-CB 4.33Å; F136-A188 HydrophobicContact CE2-CB 4.27Å; F136-A188 HydrophobicContact CG-CB 3.7Å; F136-A188 HydrophobicContact CZ-CB 4.48Å; M184-A188 WeakPolarHBondContact O-CB 3.11Å; M184-A188 PolarHBondContact O-N 3.36Å; L185-A188 PolarHBondContact O-N 3.4Å; A188-Q191 PolarHBondContact O-N 3.04Å; A188-F192 VanDerWaalsContact O-CB 3.31Å; A188-F192 WeakPolarHBondContact O-CB 3.3Å; A188-F192 PolarHBondContact O-N 3.29Å
189L91.7Very high90.4Very high56 Ų5622.3 Ų22.329%0.29312%0.118SC..Hα-helixtrans-65-38.4173.3-73.9171.5000112.1F136 L185 A186 Q191 F192 Q193F136-L189 HydrophobicContact CD1-CD2 4.39Å; F136-L189 HydrophobicContact CE1-CD2 3.93Å; F136-L189 HydrophobicContact CE1-CG 4.24Å; L185-L189 WeakPolarHBondContact O-CB 3.35Å; L185-L189 VanDerWaalsContact O-CG 3.27Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.15Å; A186-L189 PolarHBondContact O-N 2.96Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-F192 PolarHBondContact O-N 2.92Å; L189-Q193 WeakPolarHBondContact O-CB 3.45Å; L189-Q193 VanDerWaalsContact O-CG 3.27Å; L189-Q193 WeakPolarHBondContact O-CG 3.36Å; L189-Q193 PolarHBondContact O-N 2.83Å
190L90.3Very high90.8Very high56 Ų5621.5 Ų21.529%0.29311%0.113SC..Hα-helixtrans-60.5-45175.218062.4000111.2A186 T187 Q193 Y194 I349A186-L190 WeakPolarHBondContact O-CB 3.29Å; A186-L190 PolarHBondContact O-N 3.35Å; T187-L190 WeakPolarHBondContact O-CB 3.33Å; T187-L190 PolarHBondContact O-N 2.75Å; L190-Q193 WeakPolarHBondContact O-CG 3.38Å; L190-Y194 WeakPolarHBondContact O-CB 3.18Å; L190-Y194 PolarHBondContact O-N 3.32Å; L190-I349 HydrophobicContact CD2-CD1 3.78Å; L190-I349 HydrophobicContact CD2-CG2 4.3Å; L190-I349 HydrophobicContact CG-CD1 3.94Å
191Q91.5Very high91Very high5 Ų523.1 Ų23.12%0.02311%0.114CC..Hα-helixtrans-65.6-44.9173.9-168.171.557.800111.6V133 V137 T187 A188 L189 Y194 F195V133-Q191 HydrophobicContact CG1-CB 3.72Å; V133-Q191 HydrophobicContact CG1-CG 3.62Å; V137-Q191 HydrophobicContact CG2-CG 3.63Å; T187-Q191 PolarHBondContact O-N 3.16Å; A188-Q191 PolarHBondContact O-N 3.04Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; Q191-Y194 PolarHBondContact O-N 3.43Å; Q191-F195 HydrophobicContact CG-CD2 4.37Å; Q191-F195 HydrophobicContact CG-CE2 4.16Å; Q191-F195 PolarHBondContact O-N 3.32Å
192F92.5Very high91.3Very high13 Ų1323.9 Ų23.96%0.05712%0.116CC..Hα-helixtrans-60.2-50.5-178.4-174.1-83000111.6F136 G140 F162 A188 L189 Y194 F195 Y196 I200F136-F192 HydrophobicContact CB-CD2 4.28Å; F136-F192 HydrophobicContact CD1-CB 4.38Å; F136-F192 HydrophobicContact CD1-CD2 4.4Å; F136-F192 VanDerWaalsContact O-CD2 3.22Å; F136-F192 WeakPolarHBondContact O-CD2 3.26Å; F136-F192 WeakPolarHBondContact O-CE2 3.45Å; G140-F192 VanDerWaalsContact CA-CE2 3.48Å; F162-F192 HydrophobicContact CE2-CZ 4.36Å; F162-F192 AromaticContact CZ-CZ 3.95Å; F162-F192 HydrophobicContact CZ-CZ 3.95Å; A188-F192 VanDerWaalsContact O-CB 3.31Å; A188-F192 WeakPolarHBondContact O-CB 3.3Å; A188-F192 PolarHBondContact O-N 3.29Å; L189-F192 PolarHBondContact O-N 2.92Å; F192-Y194 PolarHBondContact O-N 3.25Å; F192-F195 PolarHBondContact O-N 3.22Å; F192-Y196 HydrophobicContact CD2-CD2 4.1Å; F192-Y196 HydrophobicContact CE2-CD2 4.25Å; F192-Y196 HydrophobicContact CG-CD2 4.37Å; F192-Y196 WeakPolarHBondContact O-CA 3.34Å; F192-Y196 WeakPolarHBondContact O-CB 3.23Å; F192-Y196 PolarHBondContact O-N 3.02Å; F192-I200 HydrophobicContact CD1-CD1 4.4Å; F192-I200 HydrophobicContact CE1-CD1 3.96Å; F192-I200 HydrophobicContact CE1-CG1 4.27Å
193Q90.8Very high91.6Very high8 Ų823.7 Ų23.74%0.03711%0.114CC..Hα-helixtrans-65.1-30.8-178.468.5-175.5-1700112.8L189 L190 F195 G197 G222 E224 I227L189-Q193 WeakPolarHBondContact O-CB 3.45Å; L189-Q193 VanDerWaalsContact O-CG 3.27Å; L189-Q193 WeakPolarHBondContact O-CG 3.36Å; L189-Q193 PolarHBondContact O-N 2.83Å; L190-Q193 WeakPolarHBondContact O-CG 3.38Å; Q193-F195 VanDerWaalsContact C-N 3.31Å; Q193-F195 PolarHBondContact O-N 3.43Å; Q193-G197 VanDerWaalsContact O-CA 3.26Å; Q193-G197 WeakPolarHBondContact O-CA 2.94Å; Q193-G197 PolarHBondContact O-N 3.14Å; Q193-G222 PolarHBondContact NE2-O 3.05Å; Q193-E224 HydrophobicContact CG-CG 4.49Å; Q193-I227 HydrophobicContact CB-CD1 3.39Å; Q193-I227 HydrophobicContact CG-CD1 4.44Å
194Y86.4Confident91.9Very high83 Ų8320.8 Ų20.833%0.32510%0.104SC..Hα-helixtrans-67.9-33.4179.1-168.9-110.1000112.2V61 C65 L190 Q191 F192V61-Y194 VanDerWaalsContact CG1-OH 3.28Å; V61-Y194 WeakPolarHBondContact CG1-OH 3.41Å; C65-Y194 HydrophobicContact CB-CE1 3.59Å; C65-Y194 PolarHBondContact SG-OH 3.36Å; C65-Y194 VanDerWaalsContact SG-OH 3.4Å; L190-Y194 WeakPolarHBondContact O-CB 3.18Å; L190-Y194 PolarHBondContact O-N 3.32Å; Q191-Y194 PolarHBondContact O-N 3.43Å; F192-Y194 PolarHBondContact O-N 3.25Å
195F88.5Confident92Very high3 Ų320.7 Ų20.71%0.01310%0.103CC..Hα-helixtrans-98.4-33.5179.5-66.9-18000114.2W48 C65 Y66 N69 V137 Q191 F192 Q193W48-F195 WeakPolarHBondContact CH2-O 3.27Å; W48-F195 WeakPolarHBondContact CZ2-O 3.46Å; C65-F195 HydrophobicContact CB-CE1 4.14Å; Y66-F195 HydrophobicContact CD2-CB 4.19Å; Y66-F195 HydrophobicContact CD2-CG 4.47Å; N69-F195 HydrophobicContact CB-CE2 4.05Å; N69-F195 HydrophobicContact CB-CZ 3.85Å; V137-F195 HydrophobicContact CG1-CD2 4.3Å; V137-F195 HydrophobicContact CG2-CD2 4.19Å; V137-F195 HydrophobicContact CG2-CE2 4.39Å; Q191-F195 HydrophobicContact CG-CD2 4.37Å; Q191-F195 HydrophobicContact CG-CE2 4.16Å; Q191-F195 PolarHBondContact O-N 3.32Å; F192-F195 PolarHBondContact O-N 3.22Å; Q193-F195 VanDerWaalsContact C-N 3.31Å; Q193-F195 PolarHBondContact O-N 3.43Å
196Y91.6Very high92.1Very high3 Ų319.8 Ų19.81%0.01210%0.099CC..Hα-helixtrans-129.20.2-167.1-53.1-71.8000113.3Y66 V137 E141 F192 L199Y66-Y196 HydrophobicContact CD2-CE1 4.4Å; Y66-Y196 AromaticContact CE2-CE1 3.68Å; Y66-Y196 HydrophobicContact CE2-CE1 3.68Å; V137-Y196 HydrophobicContact CB-CE2 4.4Å; V137-Y196 HydrophobicContact CG1-CE2 4.01Å; V137-Y196 WeakPolarHBondContact CG1-OH 3.49Å; V137-Y196 WeakPolarHBondContact O-CE2 3.26Å; V137-Y196 PolarHBondContact O-OH 2.93Å; E141-Y196 VanDerWaalsContact CD-OH 3.3Å; E141-Y196 HydrophobicContact CG-CE1 4.43Å; E141-Y196 VanDerWaalsContact CG-OH 3.3Å; E141-Y196 WeakPolarHBondContact CG-OH 3.27Å; E141-Y196 WeakPolarHBondContact OE1-CE1 3.42Å; E141-Y196 VanDerWaalsContact OE1-CZ 3.25Å; E141-Y196 PolarHBondContact OE1-OH 2.97Å; F192-Y196 HydrophobicContact CD2-CD2 4.1Å; F192-Y196 HydrophobicContact CE2-CD2 4.25Å; F192-Y196 HydrophobicContact CG-CD2 4.37Å; F192-Y196 WeakPolarHBondContact O-CA 3.34Å; F192-Y196 WeakPolarHBondContact O-CB 3.23Å; F192-Y196 PolarHBondContact O-N 3.02Å; Y196-L199 HydrophobicContact CD1-CD1 3.79Å; Y196-L199 HydrophobicContact CG-CD1 4.37Å; Y196-L199 VanDerWaalsContact O-CB 3.31Å; Y196-L199 WeakPolarHBondContact O-CB 3.16Å; Y196-L199 PolarHBondContact O-N 2.98Å
197G91.3Very high92Very high0 Ų020 Ų200%09%0.093CC..G310 helixtrans-50.4-38.5173.900000114.3Q193 L199 I200 Y226Q193-G197 VanDerWaalsContact O-CA 3.26Å; Q193-G197 WeakPolarHBondContact O-CA 2.94Å; Q193-G197 PolarHBondContact O-N 3.14Å; G197-L199 PolarHBondContact O-N 2.92Å; G197-I200 PolarHBondContact O-N 3.47Å; G197-Y226 WeakPolarHBondContact CA-OH 3.33Å
198P90.8Very high91.8Very high9 Ų920.5 Ų20.56%0.05810%0.097CC..G310 helixtrans-60.4-28.4174.8-24.834.4000114.2R47 W48 A51 F52 I200R47-P198 VanDerWaalsContact CD-O 3.25Å; R47-P198 WeakPolarHBondContact CD-O 3.49Å; R47-P198 HydrophobicContact CG-CB 3.71Å; R47-P198 WeakPolarHBondContact CG-O 3.46Å; W48-P198 HydrophobicContact CD2-CG 4.17Å; W48-P198 HydrophobicContact CE3-CG 4.33Å; A51-P198 HydrophobicContact CB-CB 3.7Å; A51-P198 HydrophobicContact CB-CG 3.64Å; F52-P198 HydrophobicContact CE2-CG 4.27Å; P198-I200 VanDerWaalsContact C-N 3.34Å
199L92.9Very high91.3Very high6 Ų623.1 Ų23.13%0.03112%0.124CC..G310 helixtrans-72.7-27.1-179.2-59176.1000113.1F144 V147 G159 V160 Y196 G197 R201F144-L199 HydrophobicContact CB-CD1 3.6Å; F144-L199 HydrophobicContact CD2-CD1 3.94Å; F144-L199 HydrophobicContact CD2-CD2 3.45Å; F144-L199 VanDerWaalsContact CD2-CD2 3.45Å; F144-L199 HydrophobicContact CD2-CG 4.33Å; F144-L199 HydrophobicContact CE2-CD2 3.93Å; F144-L199 HydrophobicContact CG-CD1 4Å; F144-L199 HydrophobicContact CG-CD2 4.32Å; V147-L199 HydrophobicContact CG1-CD2 4.4Å; G159-L199 CarbonylContact C-O 3.51Å; G159-L199 WeakPolarHBondContact CA-O 3.11Å; V160-L199 HydrophobicContact CG2-CB 4.4Å; V160-L199 PolarHBondContact N-O 3.05Å; Y196-L199 HydrophobicContact CD1-CD1 3.79Å; Y196-L199 HydrophobicContact CG-CD1 4.37Å; Y196-L199 VanDerWaalsContact O-CB 3.31Å; Y196-L199 WeakPolarHBondContact O-CB 3.16Å; Y196-L199 PolarHBondContact O-N 2.98Å; G197-L199 PolarHBondContact O-N 2.92Å; L199-R201 PolarHBondContact O-N 3.36Å
200I94.5Very high90.8Very high10 Ų1025.4 Ų25.45%0.05115%0.145CC..EExtended strand (participates in β ladder)trans-68.5122.6-173.6-55176.9000108.5F162 F192 G197 P198 I203 I227 K230F162-I200 HydrophobicContact CE2-CG1 4.22Å; F192-I200 HydrophobicContact CD1-CD1 4.4Å; F192-I200 HydrophobicContact CE1-CD1 3.96Å; F192-I200 HydrophobicContact CE1-CG1 4.27Å; G197-I200 PolarHBondContact O-N 3.47Å; P198-I200 VanDerWaalsContact C-N 3.34Å; I200-I203 HydrophobicContact CD1-CD1 4.41Å; I200-I203 HydrophobicContact CG2-CD1 4.02Å; I200-I203 HydrophobicContact CG2-CG1 3.72Å; I200-I227 HydrophobicContact CD1-CD1 4.39Å; I200-I227 HydrophobicContact CD1-CG2 3.93Å; I200-K230 HydrophobicContact CG2-CD 4.32Å; I200-K230 WeakPolarHBondContact O-CD 3.26Å; I200-K230 WeakPolarHBondContact O-CE 3.46Å; I200-K230 PolarHBondContact O-NZ 3.38Å
201R93.5Very high90.3Very high73 Ų7325 Ų2528%0.27514%0.142SC..EExtended strand (participates in β ladder)trans-96.1-45.3170.6-167.366176.2-177.1-2.2111.2C10 T108 V160 L199C10-R201 VanDerWaalsContact CA-NH2 3.26Å; C10-R201 VanDerWaalsContact N-NH2 3.11Å; C10-R201 VanDerWaalsContact SG-CZ 3.54Å; C10-R201 PolarHBondContact SG-NH1 3.24Å; C10-R201 PolarHBondContact SG-NH2 2.95Å; T108-R201 HydrophobicContact CG2-CB 3.72Å; T108-R201 HydrophobicContact CG2-CG 3.74Å; V160-R201 PolarHBondContact O-N 3.38Å; L199-R201 PolarHBondContact O-N 3.36Å
202R94.5Very high89.8Confident17 Ų1724.8 Ų24.86%0.06414%0.141CC..EExtended strand (participates in β ladder)trans-148.3148.7-178.5-66.9-178.1-179.7171.30.5111.3N7 D106 V160 T161 F162 L204 F232N7-R202 PolarHBondContact OD1-NH2 3.14Å; D106-R202 IonicContact OD2-CZ 3.92Å; D106-R202 IonicContact OD2-NH1 3.92Å; V160-R202 PolarHBondContact O-N 2.8Å; T161-R202 WeakPolarHBondContact CA-O 3.46Å; T161-R202 HydrophobicContact CG2-CB 4.05Å; F162-R202 PolarHBondContact N-O 2.85Å; R202-L204 HydrophobicContact CB-CD2 4.4Å; R202-F232 HydrophobicContact CG-CE2 4.27Å
203I95.2Very high89.4Confident19 Ų1927 Ų2710%0.09716%0.157CC..EExtended strand (participates in β ladder)trans-125.8106166.2-58173.2000106.3F162 I164 I200 I205 I227 K230 V231 F232F162-I203 HydrophobicContact CB-CG1 4.41Å; F162-I203 HydrophobicContact CD2-CG1 4.4Å; F162-I203 WeakPolarHBondContact O-CA 3.38Å; I164-I203 HydrophobicContact CD1-CG2 3.53Å; I164-I203 HydrophobicContact CG1-CG2 4.13Å; I200-I203 HydrophobicContact CD1-CD1 4.41Å; I200-I203 HydrophobicContact CG2-CD1 4.02Å; I200-I203 HydrophobicContact CG2-CG1 3.72Å; I203-I205 HydrophobicContact CG2-CG1 4.31Å; I203-I227 HydrophobicContact CD1-CG2 4.18Å; I203-K230 PolarHBondContact N-O 2.83Å; I203-V231 HydrophobicContact CB-CG2 4.2Å; I203-V231 HydrophobicContact CD1-CG2 4.03Å; I203-V231 WeakPolarHBondContact O-CA 3.4Å; I203-F232 PolarHBondContact O-N 2.88Å
204L95.1Very high89.1Confident2 Ų229.8 Ų29.81%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-97.4116.3177.7-55.2-174.2000108.8T161 F162 I163 I164 R202 F232 V234 L243 I247T161-L204 HydrophobicContact CG2-CD1 4.44Å; F162-L204 PolarHBondContact O-N 2.76Å; I163-L204 CarbonylContact C-O 3.58Å; I163-L204 WeakPolarHBondContact CA-O 3.48Å; I164-L204 PolarHBondContact N-O 3.19Å; R202-L204 HydrophobicContact CB-CD2 4.4Å; L204-F232 CarbonylContact C-O 3.56Å; L204-F232 WeakPolarHBondContact CA-O 3.46Å; L204-F232 HydrophobicContact CD2-CB 3.86Å; L204-F232 HydrophobicContact CD2-CD2 3.98Å; L204-F232 HydrophobicContact CD2-CG 4.29Å; L204-V234 HydrophobicContact CD2-CG2 4.41Å; L204-L243 HydrophobicContact CB-CD2 4.48Å; L204-L243 HydrophobicContact CD1-CD2 3.72Å; L204-I247 HydrophobicContact CD1-CD1 3.51Å; L204-I247 HydrophobicContact CD1-CG1 4.05Å
205I93.4Very high88.9Confident2 Ų226.7 Ų26.71%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-99.1118.9176.4-56.1177.6000107.7I164 I203 A208 L215 L219 V231 F232 V233 V234I164-I205 HydrophobicContact CB-CG1 4.45Å; I164-I205 WeakPolarHBondContact O-CA 3.47Å; I203-I205 HydrophobicContact CG2-CG1 4.31Å; I205-A208 HydrophobicContact CG2-CB 3.82Å; I205-L215 HydrophobicContact CD1-CD2 4.05Å; I205-L215 HydrophobicContact CD1-CG 4.4Å; I205-L215 HydrophobicContact CG2-CD2 4.2Å; I205-L219 HydrophobicContact CD1-CD1 3.84Å; I205-V231 HydrophobicContact CD1-CG1 3.79Å; I205-V231 HydrophobicContact CG1-CG1 4.42Å; I205-F232 PolarHBondContact N-O 2.88Å; I205-V233 HydrophobicContact CB-CG2 4.37Å; I205-V233 HydrophobicContact CD1-CG2 4.44Å; I205-V234 PolarHBondContact O-N 3.29Å
206V93.1Very high88.7Confident0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-120.2158.5-178-54.40000109.9I163 I164 D165 C166 A208 V234 W239 L243 L256I163-V206 HydrophobicContact CG2-CG1 4.29Å; I163-V206 HydrophobicContact CG2-CG2 4.13Å; I164-V206 PolarHBondContact O-N 3.23Å; D165-V206 HydrophobicContact CB-CG2 3.89Å; C166-V206 WeakPolarHBondContact CB-O 3.35Å; C166-V206 PolarHBondContact N-O 3.47Å; V206-A208 PolarHBondContact O-N 3.14Å; V206-A208 VanDerWaalsContact O-N 3.07Å; V206-V234 HydrophobicContact CG1-CB 4.25Å; V206-W239 HydrophobicContact CB-CZ3 4.16Å; V206-W239 HydrophobicContact CG1-CZ3 4.32Å; V206-L243 HydrophobicContact CG1-CD1 3.72Å; V206-L243 HydrophobicContact CG1-CD2 3.96Å; V206-L243 HydrophobicContact CG1-CG 4.37Å; V206-L256 HydrophobicContact CG2-CD1 4.28Å; V206-L256 HydrophobicContact CG2-CD2 4.12Å
207N89.7Confident88.4Confident52 Ų5236 Ų3628%0.27820%0.203SC..SBendtrans52.830.7179.1-59.1-41.5000114.6D165 C166 I167 G209D165-N207 WeakPolarHBondContact OD1-CB 3.36Å; D165-N207 PolarHBondContact OD1-ND2 3.47Å; C166-N207 CarbonylContact C-O 3.56Å; I167-N207 HydrophobicContact CB-CB 3.72Å; I167-N207 HydrophobicContact CG1-CB 4.41Å; N207-G209 PolarHBondContact O-N 3.05Å
208A87Confident87.9Confident13 Ų1338.2 Ų38.211%0.10722%0.218CC..  trans-79.64.8-179.400000114.6C166 I171 I205 V206 G212C166-A208 HydrophobicContact CB-CB 4.3Å; I171-A208 HydrophobicContact CD1-CB 3.35Å; I171-A208 WeakPolarHBondContact CD1-O 3.48Å; I205-A208 HydrophobicContact CG2-CB 3.82Å; V206-A208 PolarHBondContact O-N 3.14Å; V206-A208 VanDerWaalsContact O-N 3.07Å; A208-G212 VanDerWaalsContact CB-CA 3.49Å; A208-G212 PolarHBondContact O-N 3.32Å
209G83.6Confident87.7Confident55 Ų5539.8 Ų39.857%0.56723%0.226SC*.G310 helixtrans55.9-158.1-173.900000113.1N207 M211 G212N207-G209 PolarHBondContact O-N 3.05Å; G209-M211 PolarHBondContact O-N 3.39Å; G209-G212 PolarHBondContact O-N 3.02Å
210S80Confident87.2Confident104 Ų10447.9 Ų47.973%0.72726%0.256SS*.G310 helixtrans-66.9-13.6-179.556.60000114.2
211M79.7Confident86.4Confident49 Ų4955.4 Ų55.424%0.24130%0.295CS..G310 helixtrans-92.5-4.8-178.6-69.2-60.9113.300113.9I171 N172 G209 N214 L215I171-M211 HydrophobicContact CB-CB 4.36Å; I171-M211 HydrophobicContact CG2-CB 3.97Å; N172-M211 WeakPolarHBondContact OD1-CG 3.28Å; G209-M211 PolarHBondContact O-N 3.39Å; M211-N214 WeakPolarHBondContact O-CB 3.38Å; M211-N214 PolarHBondContact O-N 2.89Å; M211-N214 HydrophobicContact SD-CB 4.44Å; M211-N214 PolarHBondContact SD-ND2 3.32Å; M211-N214 VanDerWaalsContact SD-ND2 3.35Å; M211-L215 PolarHBondContact O-N 2.9Å
212G82.7Confident85.6Confident0 Ų054 Ų540%030%0.303CS..Hα-helixtrans-50.2-51178.500000114.3A208 G209 N214 L215 R216 V233A208-G212 VanDerWaalsContact CB-CA 3.49Å; A208-G212 PolarHBondContact O-N 3.32Å; G209-G212 PolarHBondContact O-N 3.02Å; G212-N214 VanDerWaalsContact C-N 3.29Å; G212-N214 PolarHBondContact O-N 2.96Å; G212-L215 WeakPolarHBondContact O-CB 3.3Å; G212-L215 PolarHBondContact O-N 2.88Å; G212-L215 VanDerWaalsContact O-N 3.12Å; G212-R216 PolarHBondContact O-N 2.97Å; G212-R216 VanDerWaalsContact O-N 3.1Å; G212-V233 WeakPolarHBondContact O-CG2 3.49Å
213P83.3Confident85.3Confident60 Ų6054.1 Ų54.139%0.3931%0.306SS..Hα-helixtrans-57.8-39.5176.3-27.636.3000113.4R216 I217P213-R216 PolarHBondContact O-N 3.12Å; P213-I217 WeakPolarHBondContact O-CG1 3.49Å; P213-I217 PolarHBondContact O-N 3.38Å
214N83.8Confident84.8Confident66 Ų6658.1 Ų58.135%0.35332%0.324SS..Hα-helixtrans-67.6-38.1176.8-71.4-26000111.8M175 M211 G212 R216 I217 S218M175-N214 HydrophobicContact CE-CB 4.06Å; M211-N214 WeakPolarHBondContact O-CB 3.38Å; M211-N214 PolarHBondContact O-N 2.89Å; M211-N214 HydrophobicContact SD-CB 4.44Å; M211-N214 PolarHBondContact SD-ND2 3.32Å; M211-N214 VanDerWaalsContact SD-ND2 3.35Å; G212-N214 VanDerWaalsContact C-N 3.29Å; G212-N214 PolarHBondContact O-N 2.96Å; N214-R216 VanDerWaalsContact C-N 3.33Å; N214-R216 PolarHBondContact O-N 2.76Å; N214-I217 PolarHBondContact O-N 3.05Å; N214-I217 VanDerWaalsContact O-N 3.17Å; N214-S218 PolarHBondContact O-N 2.86Å; N214-S218 PolarHBondContact O-OG 2.89Å; N214-S218 VanDerWaalsContact O-OG 3.13Å
215L83.7Confident84.5Confident17 Ų1762 Ų629%0.08935%0.351CS..Hα-helixtrans-59-44.9174177.660.1000111.2I171 I205 M211 G212 I217 S218 L219I171-L215 HydrophobicContact CD1-CD2 3.73Å; I171-L215 HydrophobicContact CG1-CD2 4.12Å; I171-L215 HydrophobicContact CG2-CB 3.97Å; I171-L215 HydrophobicContact CG2-CD1 4.34Å; I171-L215 HydrophobicContact CG2-CD2 4.28Å; I171-L215 HydrophobicContact CG2-CG 4.43Å; I205-L215 HydrophobicContact CD1-CD2 4.05Å; I205-L215 HydrophobicContact CD1-CG 4.4Å; I205-L215 HydrophobicContact CG2-CD2 4.2Å; M211-L215 PolarHBondContact O-N 2.9Å; G212-L215 WeakPolarHBondContact O-CB 3.3Å; G212-L215 PolarHBondContact O-N 2.88Å; G212-L215 VanDerWaalsContact O-N 3.12Å; L215-I217 VanDerWaalsContact C-N 3.28Å; L215-I217 PolarHBondContact O-N 2.76Å; L215-S218 PolarHBondContact O-N 3.26Å; L215-L219 HydrophobicContact CD1-CD1 4.43Å; L215-L219 HydrophobicContact CD1-CG 4.24Å; L215-L219 HydrophobicContact CG-CD1 4.21Å; L215-L219 HydrophobicContact CG-CG 4.46Å; L215-L219 WeakPolarHBondContact O-CG 3.47Å; L215-L219 PolarHBondContact O-N 3.17Å
216R84.2Confident84.1Confident93 Ų9363.4 Ų63.435%0.35136%0.357SS..Hα-helixtrans-59.9-38.9175.9-175.6-179.1-178.7-164.12.8112.4G212 P213 N214 R220 H228 V231 V233G212-R216 PolarHBondContact O-N 2.97Å; G212-R216 VanDerWaalsContact O-N 3.1Å; P213-R216 PolarHBondContact O-N 3.12Å; N214-R216 VanDerWaalsContact C-N 3.33Å; N214-R216 PolarHBondContact O-N 2.76Å; R216-R220 PolarHBondContact O-N 3.06Å; R216-H228 PolarHBondContact O-NE2 3.24Å; R216-V231 HydrophobicContact CG-CG1 4.17Å; R216-V231 VanDerWaalsContact CZ-O 3.3Å; R216-V231 PolarHBondContact NE-O 2.96Å; R216-V231 PolarHBondContact NH2-O 3.43Å; R216-V233 HydrophobicContact CB-CG2 3.77Å
217I85.1Confident84Confident110 Ų11063.5 Ų63.556%0.56436%0.357SS*.Hα-helixtrans-66-46.6176.3-65.5167.7000109.9P213 N214 L215 L219 R220P213-I217 WeakPolarHBondContact O-CG1 3.49Å; P213-I217 PolarHBondContact O-N 3.38Å; N214-I217 PolarHBondContact O-N 3.05Å; N214-I217 VanDerWaalsContact O-N 3.17Å; L215-I217 VanDerWaalsContact C-N 3.28Å; L215-I217 PolarHBondContact O-N 2.76Å; I217-L219 VanDerWaalsContact C-N 3.31Å; I217-L219 PolarHBondContact O-N 2.96Å; I217-R220 WeakPolarHBondContact O-CB 3.4Å; I217-R220 PolarHBondContact O-N 3.19Å; I217-R220 VanDerWaalsContact O-N 3.1Å
218S81.2Confident84.1Confident46 Ų4662.4 Ų62.432%0.32235%0.35SS..Hα-helixtrans-59.7-40.3177.5-63.20000112.5N214 L215 R220 L221N214-S218 PolarHBondContact O-N 2.86Å; N214-S218 PolarHBondContact O-OG 2.89Å; N214-S218 VanDerWaalsContact O-OG 3.13Å; L215-S218 PolarHBondContact O-N 3.26Å; S218-R220 PolarHBondContact O-N 3.01Å; S218-L221 WeakPolarHBondContact O-CB 3.46Å; S218-L221 PolarHBondContact O-N 2.76Å; S218-L221 VanDerWaalsContact O-N 3.15Å
219L85.3Confident84.3Confident41 Ų4167.2 Ų67.222%0.21537%0.371CS..Hα-helixtrans-62.9-25177.4-74.5173.4000113.1I205 L215 I217 L221 G222 L223 V231I205-L219 HydrophobicContact CD1-CD1 3.84Å; L215-L219 HydrophobicContact CD1-CD1 4.43Å; L215-L219 HydrophobicContact CD1-CG 4.24Å; L215-L219 HydrophobicContact CG-CD1 4.21Å; L215-L219 HydrophobicContact CG-CG 4.46Å; L215-L219 WeakPolarHBondContact O-CG 3.47Å; L215-L219 PolarHBondContact O-N 3.17Å; I217-L219 VanDerWaalsContact C-N 3.31Å; I217-L219 PolarHBondContact O-N 2.96Å; L219-L221 PolarHBondContact O-N 2.89Å; L219-G222 PolarHBondContact O-N 2.98Å; L219-G222 VanDerWaalsContact O-N 3.13Å; L219-L223 HydrophobicContact CB-CD1 3.99Å; L219-L223 HydrophobicContact CB-CG 4.45Å; L219-L223 HydrophobicContact CD2-CD1 4.45Å; L219-L223 WeakPolarHBondContact O-CB 3.13Å; L219-L223 WeakPolarHBondContact O-CG 3.5Å; L219-L223 PolarHBondContact O-N 3.14Å; L219-V231 HydrophobicContact CD1-CG1 4.16Å
220R83.1Confident84.7Confident177 Ų17766.9 Ų66.967%0.66835%0.353SS*.THydrogen-bonded Turntrans-59.2-27.9175.3-165.8179.3173.5-173.3-1.4112.9R216 I217 S218 H228R216-R220 PolarHBondContact O-N 3.06Å; I217-R220 WeakPolarHBondContact O-CB 3.4Å; I217-R220 PolarHBondContact O-N 3.19Å; I217-R220 VanDerWaalsContact O-N 3.1Å; S218-R220 PolarHBondContact O-N 3.01Å; R220-H228 VanDerWaalsContact CA-CD2 3.43Å; R220-H228 WeakPolarHBondContact CA-CD2 3.5Å; R220-H228 WeakPolarHBondContact CB-NE2 3.42Å; R220-H228 PolarHBondContact N-CD2 3.41Å
221L76.4Confident85.3Confident167 Ų16761.9 Ų61.987%0.87432%0.319SS*.THydrogen-bonded Turntrans-78.1-21.2-179-61.5176000113S218 L219S218-L221 WeakPolarHBondContact O-CB 3.46Å; S218-L221 PolarHBondContact O-N 2.76Å; S218-L221 VanDerWaalsContact O-N 3.15Å; L219-L221 PolarHBondContact O-N 2.89Å
222G78.5Confident86Confident43 Ų4361.4 Ų61.444%0.44332%0.315SS..THydrogen-bonded Turntrans-112.2-21.6-176.800000114.6Q193 L219Q193-G222 PolarHBondContact NE2-O 3.05Å; L219-G222 PolarHBondContact O-N 2.98Å; L219-G222 VanDerWaalsContact O-N 3.13Å
223L87.1Confident86.4Confident21 Ų2162.5 Ų62.511%0.1132%0.322CS..SBendtrans-95.9142.4-179.4-63.3179.6000111.7L219 I227 H228 V231L219-L223 HydrophobicContact CB-CD1 3.99Å; L219-L223 HydrophobicContact CB-CG 4.45Å; L219-L223 HydrophobicContact CD2-CD1 4.45Å; L219-L223 WeakPolarHBondContact O-CB 3.13Å; L219-L223 WeakPolarHBondContact O-CG 3.5Å; L219-L223 PolarHBondContact O-N 3.14Å; L223-I227 HydrophobicContact CD1-CG2 4.3Å; L223-I227 HydrophobicContact CD2-CG2 4.38Å; L223-H228 HydrophobicContact CB-CB 4.32Å; L223-V231 HydrophobicContact CD1-CG2 3.74Å
224E85.7Confident86.7Confident102 Ų10260 Ų6048%0.47731%0.306SS..  trans-56.4144.1165.8-73.4-65.6165.500110.5Q193 Y226 I227 H228Q193-E224 HydrophobicContact CG-CG 4.49Å; E224-Y226 VanDerWaalsContact C-N 3.27Å; E224-Y226 HydrophobicContact CB-CD1 3.65Å; E224-Y226 HydrophobicContact CB-CE1 3.47Å; E224-Y226 VanDerWaalsContact CB-CE1 3.47Å; E224-Y226 HydrophobicContact CG-CE1 3.97Å; E224-Y226 PolarHBondContact O-N 3.09Å; E224-I227 HydrophobicContact CB-CD1 4.23Å; E224-I227 HydrophobicContact CB-CG1 4.34Å; E224-I227 WeakPolarHBondContact O-CA 3.37Å; E224-I227 PolarHBondContact O-N 2.59Å; E224-H228 PolarHBondContact O-N 3.3Å
225S87Confident86.8Confident85 Ų8560.9 Ų60.959%0.59431%0.31SS*.Hα-helixtrans-57.1-41.1-171.7-64.80000112.3I227 H228 E229S225-I227 PolarHBondContact O-N 3.03Å; S225-H228 PolarHBondContact O-N 3.36Å; S225-E229 WeakPolarHBondContact O-CG 3.43Å; S225-E229 PolarHBondContact O-N 2.84Å; S225-E229 VanDerWaalsContact O-N 3.12Å
226Y86.4Confident86.7Confident31 Ų3162.6 Ų62.612%0.12233%0.332CS..Hα-helixtrans-67.6-18.3178.980.1-89.4000113.8A51 G197 E224 K230A51-Y226 HydrophobicContact CB-CE2 4.15Å; G197-Y226 WeakPolarHBondContact CA-OH 3.33Å; E224-Y226 VanDerWaalsContact C-N 3.27Å; E224-Y226 HydrophobicContact CB-CD1 3.65Å; E224-Y226 HydrophobicContact CB-CE1 3.47Å; E224-Y226 VanDerWaalsContact CB-CE1 3.47Å; E224-Y226 HydrophobicContact CG-CE1 3.97Å; E224-Y226 PolarHBondContact O-N 3.09Å; Y226-K230 WeakPolarHBondContact O-CD 3.45Å; Y226-K230 WeakPolarHBondContact O-CE 3.45Å; Y226-K230 WeakPolarHBondContact O-CG 3.4Å
227I90.6Very high86.6Confident1 Ų165.9 Ų65.91%0.00536%0.362CS..Hα-helixtrans-91.7-41.2174.1-59.2176.8000109.7Q193 I200 I203 L223 E224 S225 E229 K230Q193-I227 HydrophobicContact CB-CD1 3.39Å; Q193-I227 HydrophobicContact CG-CD1 4.44Å; I200-I227 HydrophobicContact CD1-CD1 4.39Å; I200-I227 HydrophobicContact CD1-CG2 3.93Å; I203-I227 HydrophobicContact CD1-CG2 4.18Å; L223-I227 HydrophobicContact CD1-CG2 4.3Å; L223-I227 HydrophobicContact CD2-CG2 4.38Å; E224-I227 HydrophobicContact CB-CD1 4.23Å; E224-I227 HydrophobicContact CB-CG1 4.34Å; E224-I227 WeakPolarHBondContact O-CA 3.37Å; E224-I227 PolarHBondContact O-N 2.59Å; S225-I227 PolarHBondContact O-N 3.03Å; I227-E229 PolarHBondContact O-N 3.49Å; I227-K230 WeakPolarHBondContact O-CA 3.48Å; I227-K230 VanDerWaalsContact O-CB 3.29Å; I227-K230 WeakPolarHBondContact O-CB 3.28Å; I227-K230 PolarHBondContact O-N 3.11Å
228H90.7Very high86.6Confident29 Ų2962 Ų6213%0.13435%0.35CS..Hα-helixtrans-56-37.9177.2-177.8-102.8000112.4R216 R220 L223 E224 S225 K230 V231R216-H228 PolarHBondContact O-NE2 3.24Å; R220-H228 VanDerWaalsContact CA-CD2 3.43Å; R220-H228 WeakPolarHBondContact CA-CD2 3.5Å; R220-H228 WeakPolarHBondContact CB-NE2 3.42Å; R220-H228 PolarHBondContact N-CD2 3.41Å; L223-H228 HydrophobicContact CB-CB 4.32Å; E224-H228 PolarHBondContact O-N 3.3Å; S225-H228 PolarHBondContact O-N 3.36Å; H228-K230 PolarHBondContact O-N 3.42Å; H228-V231 WeakPolarHBondContact O-CB 3.32Å; H228-V231 PolarHBondContact O-N 3.45Å
229E91.3Very high86.9Confident115 Ų11562.2 Ų62.254%0.53734%0.343SS..THydrogen-bonded Turntrans-61-21.9174.7-73.4175.4-177.300113.7S225 I227S225-E229 WeakPolarHBondContact O-CG 3.43Å; S225-E229 PolarHBondContact O-N 2.84Å; S225-E229 VanDerWaalsContact O-N 3.12Å; I227-E229 PolarHBondContact O-N 3.49Å
230K92.8Very high87.1Confident47 Ų4763.8 Ų63.820%0.20435%0.351CS..THydrogen-bonded Turntrans-91.7-0.5178.4-54173.2-178.1174.10112.9I200 I203 Y226 I227 H228 F232I200-K230 HydrophobicContact CG2-CD 4.32Å; I200-K230 WeakPolarHBondContact O-CD 3.26Å; I200-K230 WeakPolarHBondContact O-CE 3.46Å; I200-K230 PolarHBondContact O-NZ 3.38Å; I203-K230 PolarHBondContact N-O 2.83Å; Y226-K230 WeakPolarHBondContact O-CD 3.45Å; Y226-K230 WeakPolarHBondContact O-CE 3.45Å; Y226-K230 WeakPolarHBondContact O-CG 3.4Å; I227-K230 WeakPolarHBondContact O-CA 3.48Å; I227-K230 VanDerWaalsContact O-CB 3.29Å; I227-K230 WeakPolarHBondContact O-CB 3.28Å; I227-K230 PolarHBondContact O-N 3.11Å; H228-K230 PolarHBondContact O-N 3.42Å; K230-F232 WeakPolarHBondContact O-CD2 3.25Å; K230-F232 VanDerWaalsContact O-CE2 3.24Å; K230-F232 WeakPolarHBondContact O-CE2 3.44Å
231V93.5Very high87.5Confident0 Ų061.3 Ų61.30%035%0.346CS..EExtended strand (participates in β ladder)trans-89.6121.5177.5-177.60000110.3I203 I205 R216 L219 L223 H228I203-V231 HydrophobicContact CB-CG2 4.2Å; I203-V231 HydrophobicContact CD1-CG2 4.03Å; I203-V231 WeakPolarHBondContact O-CA 3.4Å; I205-V231 HydrophobicContact CD1-CG1 3.79Å; I205-V231 HydrophobicContact CG1-CG1 4.42Å; R216-V231 HydrophobicContact CG-CG1 4.17Å; R216-V231 VanDerWaalsContact CZ-O 3.3Å; R216-V231 PolarHBondContact NE-O 2.96Å; R216-V231 PolarHBondContact NH2-O 3.43Å; L219-V231 HydrophobicContact CD1-CG1 4.16Å; L223-V231 HydrophobicContact CD1-CG2 3.74Å; H228-V231 WeakPolarHBondContact O-CB 3.32Å; H228-V231 PolarHBondContact O-N 3.45Å
232F92.7Very high88.1Confident38 Ų3855.1 Ų55.117%0.16732%0.316CS..EExtended strand (participates in β ladder)trans-124.8126.6178.6-55.4-83.7000109.8F5 R202 I203 L204 I205 K230F5-F232 HydrophobicContact CD1-CD1 4.5Å; F5-F232 HydrophobicContact CE1-CB 4.22Å; F5-F232 AromaticContact CE1-CD1 3.42Å; F5-F232 HydrophobicContact CE1-CD1 3.42Å; F5-F232 VanDerWaalsContact CE1-CD1 3.42Å; F5-F232 AromaticContact CE1-CE1 3.9Å; F5-F232 HydrophobicContact CE1-CE1 3.9Å; F5-F232 AromaticContact CE1-CG 3.85Å; F5-F232 HydrophobicContact CE1-CG 3.85Å; F5-F232 HydrophobicContact CZ-CB 4.36Å; F5-F232 AromaticContact CZ-CD1 3.94Å; F5-F232 HydrophobicContact CZ-CD1 3.94Å; F5-F232 HydrophobicContact CZ-CG 4.39Å; R202-F232 HydrophobicContact CG-CE2 4.27Å; I203-F232 PolarHBondContact O-N 2.88Å; L204-F232 CarbonylContact C-O 3.56Å; L204-F232 WeakPolarHBondContact CA-O 3.46Å; L204-F232 HydrophobicContact CD2-CB 3.86Å; L204-F232 HydrophobicContact CD2-CD2 3.98Å; L204-F232 HydrophobicContact CD2-CG 4.29Å; I205-F232 PolarHBondContact N-O 2.88Å; K230-F232 WeakPolarHBondContact O-CD2 3.25Å; K230-F232 VanDerWaalsContact O-CE2 3.24Å; K230-F232 WeakPolarHBondContact O-CE2 3.44Å
233V91.4Very high88.8Confident23 Ų2353.1 Ų53.114%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-91.7124168.8178.70000106.5I205 G212 R216 D235I205-V233 HydrophobicContact CB-CG2 4.37Å; I205-V233 HydrophobicContact CD1-CG2 4.44Å; G212-V233 WeakPolarHBondContact O-CG2 3.49Å; R216-V233 HydrophobicContact CB-CG2 3.77Å; V233-D235 HydrophobicContact CG1-CB 4.18Å
234V90.5Very high89Confident8 Ų856.5 Ų56.55%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-109.995.6-178.4-172.50000107.5L204 I205 V206 W239 V242 L243L204-V234 HydrophobicContact CD2-CG2 4.41Å; I205-V234 PolarHBondContact O-N 3.29Å; V206-V234 HydrophobicContact CG1-CB 4.25Å; V234-W239 HydrophobicContact CG1-CB 3.98Å; V234-W239 HydrophobicContact CG1-CE3 4.42Å; V234-W239 WeakPolarHBondContact CG1-O 3.23Å; V234-V242 HydrophobicContact CG1-CB 4.06Å; V234-V242 HydrophobicContact CG1-CG1 4.05Å; V234-L243 HydrophobicContact CB-CD2 4.18Å; V234-L243 HydrophobicContact CG1-CD2 3.96Å; V234-L243 HydrophobicContact CG1-CG 3.84Å; V234-L243 HydrophobicContact CG2-CD2 3.97Å
235D84.5Confident89.3Confident84 Ų8454.4 Ų54.445%0.44932%0.315SS..  trans-134.3175.8-172.964.3-2.5000112.4V233V233-D235 HydrophobicContact CG1-CB 4.18Å
236G83.4Confident89.5Confident53 Ų5350.6 Ų50.655%0.54629%0.289SS..SBendtrans82-173.5175.800000115.3G238 W239G236-G238 PolarHBondContact O-N 3.49Å; G236-W239 PolarHBondContact O-N 3.32Å
237V82.4Confident89.9Confident163 Ų16349.2 Ų49.299%0.98828%0.283SS*.THydrogen-bonded Turntrans-69.3126.4-179.9-1780000109.6
238G84.5Confident90.1Very high29 Ų2949.6 Ų49.630%0.29929%0.287SS..THydrogen-bonded Turntrans83.316.8178.400000115.3G236 M240 Q241 V242G236-G238 PolarHBondContact O-N 3.49Å; G238-M240 PolarHBondContact O-N 2.84Å; G238-Q241 PolarHBondContact O-N 3.13Å; G238-Q241 VanDerWaalsContact O-N 3.14Å; G238-Q241 PolarHBondContact O-OE1 3.43Å; G238-V242 PolarHBondContact O-N 3.18Å
239W88Confident90.3Very high49 Ų4951 Ų5119%0.18630%0.299CS..Hα-helixtrans-56.5-33.4177.472.1-90.3000112.9V206 V234 G236 Q241 V242 L243 L256V206-W239 HydrophobicContact CB-CZ3 4.16Å; V206-W239 HydrophobicContact CG1-CZ3 4.32Å; V234-W239 HydrophobicContact CG1-CB 3.98Å; V234-W239 HydrophobicContact CG1-CE3 4.42Å; V234-W239 WeakPolarHBondContact CG1-O 3.23Å; G236-W239 PolarHBondContact O-N 3.32Å; W239-Q241 PolarHBondContact O-N 2.82Å; W239-V242 WeakPolarHBondContact O-CB 3.42Å; W239-V242 PolarHBondContact O-N 2.89Å; W239-L243 HydrophobicContact CE3-CD1 3.51Å; W239-L243 HydrophobicContact CE3-CG 4.2Å; W239-L243 HydrophobicContact CH2-CD1 4.48Å; W239-L243 HydrophobicContact CZ3-CD1 3.27Å; W239-L243 HydrophobicContact CZ3-CG 4.4Å; W239-L243 PolarHBondContact O-N 3.43Å; W239-L243 VanDerWaalsContact O-N 3.08Å; W239-L256 HydrophobicContact CH2-CD2 3.78Å; W239-L256 HydrophobicContact CZ3-CD2 4.07Å
240M89.3Confident90.4Very high75 Ų7550.8 Ų50.837%0.36930%0.302SS..Hα-helixtrans-62.2-41.3176.5-71.2-177.317200112.3G238 V242 L243 Q244G238-M240 PolarHBondContact O-N 2.84Å; M240-V242 VanDerWaalsContact C-N 3.27Å; M240-V242 PolarHBondContact O-N 3.26Å; M240-L243 PolarHBondContact O-N 3.06Å; M240-Q244 WeakPolarHBondContact O-CG 3.21Å; M240-Q244 PolarHBondContact O-N 3.39Å
241Q90Very high90.5Very high124 Ų12448.6 Ų48.658%0.57929%0.292SS*.Hα-helixtrans-64.9-34176.3-68.385.2-1.300111.6G238 W239 Q244 G245G238-Q241 PolarHBondContact O-N 3.13Å; G238-Q241 VanDerWaalsContact O-N 3.14Å; G238-Q241 PolarHBondContact O-OE1 3.43Å; W239-Q241 PolarHBondContact O-N 2.82Å; Q241-Q244 PolarHBondContact O-N 2.93Å; Q241-G245 PolarHBondContact O-N 2.84Å
242V89.4Confident90.5Very high38 Ų3848.6 Ų48.623%0.2329%0.292CS..Hα-helixtrans-64.5-41.4175.2178.50000111F5 V234 G238 W239 M240 G245 S246F5-V242 HydrophobicContact CD2-CG1 3.67Å; F5-V242 HydrophobicContact CE2-CG1 3.58Å; F5-V242 HydrophobicContact CG-CG1 4.43Å; F5-V242 HydrophobicContact CZ-CG1 4.27Å; V234-V242 HydrophobicContact CG1-CB 4.06Å; V234-V242 HydrophobicContact CG1-CG1 4.05Å; G238-V242 PolarHBondContact O-N 3.18Å; W239-V242 WeakPolarHBondContact O-CB 3.42Å; W239-V242 PolarHBondContact O-N 2.89Å; M240-V242 VanDerWaalsContact C-N 3.27Å; M240-V242 PolarHBondContact O-N 3.26Å; V242-G245 PolarHBondContact O-N 3.45Å; V242-S246 PolarHBondContact O-N 2.75Å; V242-S246 PolarHBondContact O-OG 2.86Å
243L92.7Very high90.5Very high0 Ų046.8 Ų46.80%029%0.285CS..Hα-helixtrans-65.2-47.2174.1-72-179.6000112.4L204 V206 V234 W239 M240 G245 S246 I247 L252L204-L243 HydrophobicContact CB-CD2 4.48Å; L204-L243 HydrophobicContact CD1-CD2 3.72Å; V206-L243 HydrophobicContact CG1-CD1 3.72Å; V206-L243 HydrophobicContact CG1-CD2 3.96Å; V206-L243 HydrophobicContact CG1-CG 4.37Å; V234-L243 HydrophobicContact CB-CD2 4.18Å; V234-L243 HydrophobicContact CG1-CD2 3.96Å; V234-L243 HydrophobicContact CG1-CG 3.84Å; V234-L243 HydrophobicContact CG2-CD2 3.97Å; W239-L243 HydrophobicContact CE3-CD1 3.51Å; W239-L243 HydrophobicContact CE3-CG 4.2Å; W239-L243 HydrophobicContact CH2-CD1 4.48Å; W239-L243 HydrophobicContact CZ3-CD1 3.27Å; W239-L243 HydrophobicContact CZ3-CG 4.4Å; W239-L243 PolarHBondContact O-N 3.43Å; W239-L243 VanDerWaalsContact O-N 3.08Å; M240-L243 PolarHBondContact O-N 3.06Å; L243-G245 PolarHBondContact O-N 3.44Å; L243-S246 CarbonylContact O-C 3.48Å; L243-S246 WeakPolarHBondContact O-CA 3.33Å; L243-S246 PolarHBondContact O-N 2.96Å; L243-I247 PolarHBondContact O-N 2.52Å; L243-L252 HydrophobicContact CB-CD2 4.33Å
244Q92.2Very high90.6Very high93 Ų9349 Ų4944%0.43530%0.295SS..Hα-helixtrans-62.7-26.5178.6-71172.4-25.800112.8M240 Q241 S246 L252 G257M240-Q244 WeakPolarHBondContact O-CG 3.21Å; M240-Q244 PolarHBondContact O-N 3.39Å; Q241-Q244 PolarHBondContact O-N 2.93Å; Q244-S246 VanDerWaalsContact C-N 3.33Å; Q244-L252 HydrophobicContact CG-CD2 4.17Å; Q244-G257 PolarHBondContact NE2-O 3.27Å
245G91.3Very high90.6Very high57 Ų5750.7 Ų50.759%0.58831%0.307SS*.Hα-helixtrans-77.2-16.7171.100000114.3Q241 V242 L243Q241-G245 PolarHBondContact O-N 2.84Å; V242-G245 PolarHBondContact O-N 3.45Å; L243-G245 PolarHBondContact O-N 3.44Å
246S91.7Very high91Very high6 Ų646.9 Ų46.94%0.04229%0.287CS..Hα-helixtrans-107.4-26.5-175.1-580000113.4N103 V242 L243 Q244N103-S246 PolarHBondContact ND2-O 3.34Å; V242-S246 PolarHBondContact O-N 2.75Å; V242-S246 PolarHBondContact O-OG 2.86Å; L243-S246 CarbonylContact O-C 3.48Å; L243-S246 WeakPolarHBondContact O-CA 3.33Å; L243-S246 PolarHBondContact O-N 2.96Å; Q244-S246 VanDerWaalsContact C-N 3.33Å
247I95.2Very high91.4Very high1 Ų145.8 Ų45.81%0.00528%0.276CS..SBendtrans-132.1132.5-176.5-57.5-171.7000109.5N103 V110 T161 I163 L204 L243 A251 L252N103-I247 WeakPolarHBondContact OD1-CA 3.11Å; V110-I247 HydrophobicContact CG2-CG2 4.37Å; T161-I247 HydrophobicContact CG2-CD1 3.97Å; I163-I247 HydrophobicContact CD1-CD1 3.29Å; I163-I247 HydrophobicContact CG1-CD1 3.69Å; L204-I247 HydrophobicContact CD1-CD1 3.51Å; L204-I247 HydrophobicContact CD1-CG1 4.05Å; L243-I247 PolarHBondContact O-N 2.52Å; I247-A251 HydrophobicContact CG2-CB 3.91Å; I247-L252 HydrophobicContact CG2-CB 4.05Å; I247-L252 HydrophobicContact CG2-CD1 4.45Å
248S95.2Very high92Very high10 Ų1038.4 Ų38.47%0.0723%0.232CC..  trans-60.4145.3176.468.20000111.4N103 T104 N250 A251 L252N103-S248 PolarHBondContact OD1-N 3.13Å; T104-S248 PolarHBondContact N-OG 3.38Å; T104-S248 WeakPolarHBondContact OG1-CB 3.03Å; T104-S248 PolarHBondContact OG1-OG 3.26Å; S248-N250 PolarHBondContact O-N 2.93Å; S248-N250 VanDerWaalsContact O-N 3.13Å; S248-A251 PolarHBondContact O-N 2.79Å; S248-A251 WeakPolarHBondContact OG-CB 3.46Å; S248-L252 PolarHBondContact O-N 3.46Å
249S94.3Very high92.4Very high58 Ų5841.7 Ų41.741%0.40624%0.243SC..G310 helixtrans-55.2-35.7-178.3540000113.1A251 L252 N259S249-A251 VanDerWaalsContact C-N 3.26Å; S249-A251 PolarHBondContact O-N 2.78Å; S249-L252 PolarHBondContact O-N 3.33Å; S249-N259 PolarHBondContact O-N 3.31Å
250N93.4Very high92.5Very high111 Ų11139.9 Ų39.959%0.59424%0.236SC*.G310 helixtrans-74-14.6179.1-65-23.9000114.2S248S248-N250 PolarHBondContact O-N 2.93Å; S248-N250 VanDerWaalsContact O-N 3.13Å
251A94.2Very high92.4Very high0 Ų042.5 Ų42.50%025%0.246CC..G310 helixtrans-106.45.5177.200000112.9V101 I102 V110 I247 S248 S249V101-A251 HydrophobicContact CG1-CB 3.78Å; I102-A251 WeakPolarHBondContact O-CB 3.39Å; V110-A251 HydrophobicContact CG2-CB 3.93Å; I247-A251 HydrophobicContact CG2-CB 3.91Å; S248-A251 PolarHBondContact O-N 2.79Å; S248-A251 WeakPolarHBondContact OG-CB 3.46Å; S249-A251 VanDerWaalsContact C-N 3.26Å; S249-A251 PolarHBondContact O-N 2.78Å
252L94.2Very high92.1Very high0 Ų038 Ų380%022%0.224CC..SBendtrans-116.1131.2-180-171.968.5000109.5I163 L243 Q244 I247 S248 S249 L256 G258 N259 W260I163-L252 HydrophobicContact CD1-CD1 3.81Å; L243-L252 HydrophobicContact CB-CD2 4.33Å; Q244-L252 HydrophobicContact CG-CD2 4.17Å; I247-L252 HydrophobicContact CG2-CB 4.05Å; I247-L252 HydrophobicContact CG2-CD1 4.45Å; S248-L252 PolarHBondContact O-N 3.46Å; S249-L252 PolarHBondContact O-N 3.33Å; L252-L256 HydrophobicContact CD1-CB 3.79Å; L252-L256 HydrophobicContact CD1-CD1 4.16Å; L252-L256 HydrophobicContact CD2-CB 4.47Å; L252-L256 WeakPolarHBondContact CD2-O 3.45Å; L252-L256 HydrophobicContact CG-CB 3.97Å; L252-G258 CarbonylContact O-C 3.57Å; L252-G258 VanDerWaalsContact O-CA 3.24Å; L252-G258 WeakPolarHBondContact O-CA 3.46Å; L252-N259 PolarHBondContact O-N 2.9Å; L252-N259 VanDerWaalsContact O-N 3.13Å; L252-W260 VanDerWaalsContact O-CB 3.24Å; L252-W260 WeakPolarHBondContact O-CB 3.45Å; L252-W260 PolarHBondContact O-N 2.88Å
253P92.9Very high91.5Very high1 Ų144.7 Ų44.71%0.00626%0.255CS..BIsolated β-bridgetrans-57152.7175.6-29.237.2000113.8L112 S255 L256 G257 G258 W260 D272 A273L112-P253 HydrophobicContact CD1-CG 3.31Å; L112-P253 HydrophobicContact CD2-CG 3.93Å; L112-P253 HydrophobicContact CG-CG 4.26Å; P253-S255 VanDerWaalsContact C-N 3.25Å; P253-S255 PolarHBondContact O-N 2.88Å; P253-L256 HydrophobicContact CB-CG 4.42Å; P253-L256 HydrophobicContact CG-CD1 4.31Å; P253-L256 CarbonylContact O-C 3.51Å; P253-L256 PolarHBondContact O-N 2.89Å; P253-G257 PolarHBondContact O-N 2.99Å; P253-G258 PolarHBondContact O-N 3.25Å; P253-W260 WeakPolarHBondContact CA-O 3.45Å; P253-W260 HydrophobicContact CG-CE3 4.29Å; P253-D272 WeakPolarHBondContact CG-O 3.38Å; P253-A273 HydrophobicContact CG-CB 4.4Å
254I93.2Very high90.9Very high68 Ų6847.5 Ų47.535%0.34927%0.27SS..G310 helixtrans-57.7-40.6173-65.3179.2000111L256 G257 G258 W260 K261 L271I254-L256 PolarHBondContact O-N 2.85Å; I254-L256 VanDerWaalsContact O-N 3.13Å; I254-G257 PolarHBondContact O-N 3.2Å; I254-G258 WeakPolarHBondContact CA-O 3.4Å; I254-W260 PolarHBondContact N-O 3.44Å; I254-K261 HydrophobicContact CD1-CB 3.77Å; I254-K261 HydrophobicContact CD1-CD 4.14Å; I254-K261 HydrophobicContact CD1-CG 4.38Å; I254-K261 HydrophobicContact CG1-CB 4.43Å; I254-L271 HydrophobicContact CB-CD2 4.31Å; I254-L271 HydrophobicContact CD1-CD2 4.24Å; I254-L271 HydrophobicContact CG2-CD2 4.1Å; I254-L271 PolarHBondContact N-O 2.81Å
255S91Very high90.2Very high45 Ų4547.3 Ų47.332%0.31528%0.279SS..G310 helixtrans-62.6-19.5178.160.80000114P253 L271 D272P253-S255 VanDerWaalsContact C-N 3.25Å; P253-S255 PolarHBondContact O-N 2.88Å; S255-L271 PolarHBondContact N-O 3.38Å; S255-L271 PolarHBondContact OG-O 2.9Å; S255-D272 WeakPolarHBondContact CB-OD1 3.35Å; S255-D272 PolarHBondContact OG-OD1 2.76Å
256L92.9Very high89.5Confident4 Ų449.1 Ų49.12%0.02128%0.283CS..G310 helixtrans-105.311.3175.7-56.5-177.2000112.7I163 V206 W239 L252 P253 I254I163-L256 HydrophobicContact CG2-CD1 3.88Å; V206-L256 HydrophobicContact CG2-CD1 4.28Å; V206-L256 HydrophobicContact CG2-CD2 4.12Å; W239-L256 HydrophobicContact CH2-CD2 3.78Å; W239-L256 HydrophobicContact CZ3-CD2 4.07Å; L252-L256 HydrophobicContact CD1-CB 3.79Å; L252-L256 HydrophobicContact CD1-CD1 4.16Å; L252-L256 HydrophobicContact CD2-CB 4.47Å; L252-L256 WeakPolarHBondContact CD2-O 3.45Å; L252-L256 HydrophobicContact CG-CB 3.97Å; P253-L256 HydrophobicContact CB-CG 4.42Å; P253-L256 HydrophobicContact CG-CD1 4.31Å; P253-L256 CarbonylContact O-C 3.51Å; P253-L256 PolarHBondContact O-N 2.89Å; I254-L256 PolarHBondContact O-N 2.85Å; I254-L256 VanDerWaalsContact O-N 3.13Å
257G91.9Very high88.8Confident30 Ų3054.7 Ų54.731%0.30931%0.306SS..THydrogen-bonded Turntrans88.716.3176.200000115.3Q244 P253 I254Q244-G257 PolarHBondContact NE2-O 3.27Å; P253-G257 PolarHBondContact O-N 2.99Å; I254-G257 PolarHBondContact O-N 3.2Å
258G94.3Very high88.1Confident7 Ų756.6 Ų56.67%0.07231%0.314CS..SBendtrans-101.8-157.1173.100000113.9L252 P253 I254L252-G258 CarbonylContact O-C 3.57Å; L252-G258 VanDerWaalsContact O-CA 3.24Å; L252-G258 WeakPolarHBondContact O-CA 3.46Å; P253-G258 PolarHBondContact O-N 3.25Å; I254-G258 WeakPolarHBondContact CA-O 3.4Å
259N93.4Very high87.4Confident99 Ų9959.7 Ų59.753%0.52933%0.327SS..  trans-119-6.5-176.3-67.6-23.6000113S249 L252 K261S249-N259 PolarHBondContact O-N 3.31Å; L252-N259 PolarHBondContact O-N 2.9Å; L252-N259 VanDerWaalsContact O-N 3.13Å; N259-K261 PolarHBondContact O-N 2.95Å
260W90.9Very high86.7Confident10 Ų1059.2 Ų59.24%0.03832%0.323CS..BIsolated β-bridgetrans-70.5119.6-179.5-177.810.9000109.9S96 R98 V101 V110 L112 L252 P253 I254 E262 A273S96-W260 VanDerWaalsContact CB-CH2 3.46Å; R98-W260 HydrophobicContact CB-CZ2 4.36Å; V101-W260 HydrophobicContact CB-CH2 3.83Å; V101-W260 HydrophobicContact CB-CZ2 4.14Å; V101-W260 HydrophobicContact CB-CZ3 4.06Å; V101-W260 HydrophobicContact CG1-CD2 4.07Å; V101-W260 HydrophobicContact CG1-CE3 3.76Å; V101-W260 HydrophobicContact CG1-CH2 3.93Å; V101-W260 HydrophobicContact CG1-CZ2 4.32Å; V101-W260 HydrophobicContact CG1-CZ3 3.64Å; V101-W260 HydrophobicContact CG2-CD2 4.34Å; V101-W260 HydrophobicContact CG2-CH2 3.67Å; V101-W260 HydrophobicContact CG2-CZ2 3.44Å; V101-W260 VanDerWaalsContact CG2-CZ2 3.44Å; V101-W260 HydrophobicContact CG2-CZ3 4.25Å; V110-W260 HydrophobicContact CG1-CZ3 4.28Å; L112-W260 HydrophobicContact CD1-CE3 3.82Å; L112-W260 HydrophobicContact CD1-CH2 3.63Å; L112-W260 HydrophobicContact CD1-CZ2 4.27Å; L112-W260 HydrophobicContact CD1-CZ3 3.36Å; L112-W260 HydrophobicContact CD2-CZ3 4Å; L112-W260 HydrophobicContact CG-CE3 4.35Å; L112-W260 HydrophobicContact CG-CH2 3.81Å; L112-W260 HydrophobicContact CG-CZ3 3.5Å; L252-W260 VanDerWaalsContact O-CB 3.24Å; L252-W260 WeakPolarHBondContact O-CB 3.45Å; L252-W260 PolarHBondContact O-N 2.88Å; P253-W260 WeakPolarHBondContact CA-O 3.45Å; P253-W260 HydrophobicContact CG-CE3 4.29Å; I254-W260 PolarHBondContact N-O 3.44Å; W260-E262 PolarHBondContact NE1-OE1 3.36Å; W260-A273 HydrophobicContact CD2-CB 3.63Å; W260-A273 VanDerWaalsContact CE2-CB 3.48Å; W260-A273 HydrophobicContact CE3-CB 4.32Å; W260-A273 HydrophobicContact CG-CB 3.76Å; W260-A273 HydrophobicContact CZ2-CB 4.07Å
261K87.2Confident86.3Confident131 Ų13158.9 Ų58.957%0.5732%0.32SS*.  trans-134.9155.2172.363.4179.2-177.4179.80110.4I254 N259 P270I254-K261 HydrophobicContact CD1-CB 3.77Å; I254-K261 HydrophobicContact CD1-CD 4.14Å; I254-K261 HydrophobicContact CD1-CG 4.38Å; I254-K261 HydrophobicContact CG1-CB 4.43Å; N259-K261 PolarHBondContact O-N 2.95Å; K261-P270 VanDerWaalsContact CA-O 3.25Å; K261-P270 WeakPolarHBondContact CA-O 3.3Å; K261-P270 VanDerWaalsContact CB-O 3.27Å; K261-P270 WeakPolarHBondContact CB-O 3.4Å
262E83.4Confident85.9Confident29 Ų2960.3 Ų60.314%0.13633%0.328CS..  trans-103.3143170.9-66-61.4156.100110.4A97 R98 W260 Y268 P270 A273A97-E262 VanDerWaalsContact CB-CD 3.5Å; A97-E262 HydrophobicContact CB-CG 3.56Å; R98-E262 WeakPolarHBondContact CB-OE1 3.27Å; W260-E262 PolarHBondContact NE1-OE1 3.36Å; E262-Y268 HydrophobicContact CB-CD2 4Å; E262-Y268 HydrophobicContact CB-CG 3.97Å; E262-Y268 HydrophobicContact CG-CD2 4.31Å; E262-Y268 HydrophobicContact CG-CG 4.08Å; E262-P270 PolarHBondContact N-O 3.47Å; E262-A273 HydrophobicContact CG-CB 4.13Å
263M76.4Confident85.5Confident179 Ų17960.3 Ų60.388%0.88233%0.328SS*.SBendtrans-89.3-28.7-176.5-65-159-68.400113.2S265M263-S265 PolarHBondContact O-N 2.86Å
264D79.9Confident85.2Confident59 Ų5960.4 Ų60.432%0.31633%0.329SS..  trans-90.188.5-178.6-173.4-6.2000110.8S266 K267 Y268D264-S266 PolarHBondContact O-N 3.49Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-S266 WeakPolarHBondContact OD1-CB 3.26Å; D264-S266 PolarHBondContact OD1-N 3.18Å; D264-S266 VanDerWaalsContact OD1-N 3.08Å; D264-S266 PolarHBondContact OD1-OG 3.16Å; D264-K267 PolarHBondContact O-N 3.28Å; D264-K267 VanDerWaalsContact O-N 3.14Å; D264-K267 VanDerWaalsContact OD2-CD 3.22Å; D264-K267 WeakPolarHBondContact OD2-CD 3.36Å; D264-K267 WeakPolarHBondContact OD2-CE 3.32Å; D264-K267 WeakPolarHBondContact OD2-CG 3.37Å; D264-K267 IonicContact OD2-NZ 2.85Å; D264-Y268 HydrophobicContact CB-CD2 4Å; D264-Y268 HydrophobicContact CB-CE2 4.25Å; D264-Y268 WeakPolarHBondContact O-CD2 3.48Å; D264-Y268 PolarHBondContact O-N 3.07Å
265S77Confident84.8Confident89 Ų8957.6 Ų57.662%0.62232%0.315SS*.THydrogen-bonded Turntrans-65.8-11.6179.165.50000114.1M263 K267 Y268M263-S265 PolarHBondContact O-N 2.86Å; S265-K267 VanDerWaalsContact C-N 3.33Å; S265-Y268 WeakPolarHBondContact CA-O 3.26Å
266S77.7Confident84.3Confident94 Ų9456.6 Ų56.666%0.65731%0.31SS*.THydrogen-bonded Turntrans-78-23.2175.376.40000112.3D264D264-S266 PolarHBondContact O-N 3.49Å; D264-S266 VanDerWaalsContact O-N 3.15Å; D264-S266 WeakPolarHBondContact OD1-CB 3.26Å; D264-S266 PolarHBondContact OD1-N 3.18Å; D264-S266 VanDerWaalsContact OD1-N 3.08Å; D264-S266 PolarHBondContact OD1-OG 3.16Å
267K76.2Confident83.8Confident123 Ų12362 Ų6254%0.53534%0.335SS..THydrogen-bonded Turntrans-113.7-19.8-178-65.2-178.1-168.2161.10113.3D264 S265 A276D264-K267 PolarHBondContact O-N 3.28Å; D264-K267 VanDerWaalsContact O-N 3.14Å; D264-K267 VanDerWaalsContact OD2-CD 3.22Å; D264-K267 WeakPolarHBondContact OD2-CD 3.36Å; D264-K267 WeakPolarHBondContact OD2-CE 3.32Å; D264-K267 WeakPolarHBondContact OD2-CG 3.37Å; D264-K267 IonicContact OD2-NZ 2.85Å; S265-K267 VanDerWaalsContact C-N 3.33Å; K267-A276 VanDerWaalsContact C-CB 3.43Å; K267-A276 VanDerWaalsContact O-CB 3.32Å; K267-A276 WeakPolarHBondContact O-CB 3.36Å; K267-A276 PolarHBondContact O-N 3.46Å
268Y81.2Confident83.3Confident42 Ų4263.2 Ų63.217%0.16534%0.336CS..EExtended strand (participates in β ladder)trans-138.3150.7-170.3-51.5-61.9000112A97 E262 D264 S265 P270 V274A97-Y268 HydrophobicContact CB-CD1 3.12Å; A97-Y268 HydrophobicContact CB-CD2 4.27Å; A97-Y268 HydrophobicContact CB-CE1 3.24Å; A97-Y268 HydrophobicContact CB-CE2 4.33Å; A97-Y268 HydrophobicContact CB-CG 3.7Å; E262-Y268 HydrophobicContact CB-CD2 4Å; E262-Y268 HydrophobicContact CB-CG 3.97Å; E262-Y268 HydrophobicContact CG-CD2 4.31Å; E262-Y268 HydrophobicContact CG-CG 4.08Å; D264-Y268 HydrophobicContact CB-CD2 4Å; D264-Y268 HydrophobicContact CB-CE2 4.25Å; D264-Y268 WeakPolarHBondContact O-CD2 3.48Å; D264-Y268 PolarHBondContact O-N 3.07Å; S265-Y268 WeakPolarHBondContact CA-O 3.26Å; Y268-P270 VanDerWaalsContact O-CD 3.3Å; Y268-P270 WeakPolarHBondContact O-CD 3.27Å; Y268-V274 CarbonylContact C-O 3.6Å; Y268-V274 VanDerWaalsContact CA-O 3.27Å; Y268-V274 WeakPolarHBondContact CA-O 3.16Å; Y268-V274 WeakPolarHBondContact CB-O 3.35Å
269E80.3Confident82.6Confident75 Ų7566.8 Ų66.835%0.3536%0.358SS..EExtended strand (participates in β ladder)trans-77.3114.2164.8-72.7-56.3158.800109.5L271 D272 A273 V274E269-L271 VanDerWaalsContact C-N 3.29Å; E269-L271 PolarHBondContact O-N 3.33Å; E269-D272 HydrophobicContact CB-CB 4.06Å; E269-D272 PolarHBondContact O-N 3.01Å; E269-A273 PolarHBondContact O-N 3.25Å; E269-V274 HydrophobicContact CB-CG2 4.26Å; E269-V274 HydrophobicContact CG-CG2 4.49Å; E269-V274 PolarHBondContact N-O 3.21Å
270P79.3Confident81.9Confident48 Ų4863.5 Ų63.531%0.31234%0.341SS..THydrogen-bonded Turntrans-60.6-34.7-169.4-27.136.2000114.4K261 E262 Y268K261-P270 VanDerWaalsContact CA-O 3.25Å; K261-P270 WeakPolarHBondContact CA-O 3.3Å; K261-P270 VanDerWaalsContact CB-O 3.27Å; K261-P270 WeakPolarHBondContact CB-O 3.4Å; E262-P270 PolarHBondContact N-O 3.47Å; Y268-P270 VanDerWaalsContact O-CD 3.3Å; Y268-P270 WeakPolarHBondContact O-CD 3.27Å
271L84.7Confident81.1Confident104 Ų10469 Ų6955%0.54537%0.371SS..THydrogen-bonded Turntrans-90.1-28.7-174.4-59.5-177.8000113.9I254 S255 E269I254-L271 HydrophobicContact CB-CD2 4.31Å; I254-L271 HydrophobicContact CD1-CD2 4.24Å; I254-L271 HydrophobicContact CG2-CD2 4.1Å; I254-L271 PolarHBondContact N-O 2.81Å; S255-L271 PolarHBondContact N-O 3.38Å; S255-L271 PolarHBondContact OG-O 2.9Å; E269-L271 VanDerWaalsContact C-N 3.29Å; E269-L271 PolarHBondContact O-N 3.33Å
272D86.3Confident80Confident29 Ų2969.8 Ų69.816%0.15537%0.374CS..THydrogen-bonded Turntrans-91.1-15.3179.4-74.4-19.6000112.3R94 L112 K114 P253 S255 E269 V274R94-D272 IonicContact NH1-OD2 3.75Å; L112-D272 WeakPolarHBondContact CD1-O 3.23Å; K114-D272 IonicContact NZ-OD2 3.84Å; K114-D272 PolarHBondContact NZ-OD2 3.29Å; P253-D272 WeakPolarHBondContact CG-O 3.38Å; S255-D272 WeakPolarHBondContact CB-OD1 3.35Å; S255-D272 PolarHBondContact OG-OD1 2.76Å; E269-D272 HydrophobicContact CB-CB 4.06Å; E269-D272 PolarHBondContact O-N 3.01Å; D272-V274 HydrophobicContact CB-CG2 3.82Å; D272-V274 PolarHBondContact O-N 3.32Å
273A85.8Confident78.7Confident0 Ų071.6 Ų71.60%039%0.394CS..THydrogen-bonded Turntrans56.231.6-178.100000114.8S96 A97 L112 P253 W260 E262 E269S96-A273 WeakPolarHBondContact CA-O 3.27Å; A97-A273 PolarHBondContact N-O 3.37Å; A97-A273 VanDerWaalsContact N-O 3.15Å; L112-A273 HydrophobicContact CD1-CB 4.13Å; P253-A273 HydrophobicContact CG-CB 4.4Å; W260-A273 HydrophobicContact CD2-CB 3.63Å; W260-A273 VanDerWaalsContact CE2-CB 3.48Å; W260-A273 HydrophobicContact CE3-CB 4.32Å; W260-A273 HydrophobicContact CG-CB 3.76Å; W260-A273 HydrophobicContact CZ2-CB 4.07Å; E262-A273 HydrophobicContact CG-CB 4.13Å; E269-A273 PolarHBondContact O-N 3.25Å
274V86.6Confident77.3Confident4 Ų468.4 Ų68.42%0.02439%0.39CS..EExtended strand (participates in β ladder)trans-114.7163.4175.9-63.30000111R94 F95 L112 Y268 E269 D272R94-V274 HydrophobicContact CB-CB 4Å; R94-V274 HydrophobicContact CB-CG2 3.93Å; F95-V274 CarbonylContact O-C 3.54Å; F95-V274 VanDerWaalsContact O-CA 3.26Å; F95-V274 WeakPolarHBondContact O-CA 3.4Å; F95-V274 WeakPolarHBondContact O-CB 3.39Å; L112-V274 HydrophobicContact CB-CG1 3.95Å; L112-V274 HydrophobicContact CD1-CG1 4.21Å; Y268-V274 CarbonylContact C-O 3.6Å; Y268-V274 VanDerWaalsContact CA-O 3.27Å; Y268-V274 WeakPolarHBondContact CA-O 3.16Å; Y268-V274 WeakPolarHBondContact CB-O 3.35Å; E269-V274 HydrophobicContact CB-CG2 4.26Å; E269-V274 HydrophobicContact CG-CG2 4.49Å; E269-V274 PolarHBondContact N-O 3.21Å; D272-V274 HydrophobicContact CB-CG2 3.82Å; D272-V274 PolarHBondContact O-N 3.32Å
275A84.1Confident75.6Confident8 Ų871.8 Ų71.87%0.06641%0.408CS..EExtended strand (participates in β ladder)trans-48.6140.9169.500000112R94 F95R94-A275 VanDerWaalsContact CD-O 3.28Å; R94-A275 WeakPolarHBondContact CD-O 3.06Å; F95-A275 PolarHBondContact O-N 3.23Å
276A81.3Confident74.1Confident24 Ų2470.7 Ų70.720%0.19840%0.4CS..PPolyproline II helixtrans-61.5159.3172.700000110.5K267 T278K267-A276 VanDerWaalsContact C-CB 3.43Å; K267-A276 VanDerWaalsContact O-CB 3.32Å; K267-A276 WeakPolarHBondContact O-CB 3.36Å; K267-A276 PolarHBondContact O-N 3.46Å; A276-T278 PolarHBondContact O-N 3.14Å
277E81.1Confident72.6Confident118 Ų11871.8 Ų71.855%0.55141%0.405SS*.PPolyproline II helixtrans-60.3125.4-177.8-175.1171.9-177.900112.1K116K116-E277 IonicContact NZ-OE1 3.99Å; K116-E277 PolarHBondContact NZ-OE1 3.2Å
278T81.8Confident71.5Confident55 Ų5568.6 Ų68.634%0.33739%0.389SS..PPolyproline II helixtrans-95.5120.1168.5-55.70000109M90 P91 A276M90-T278 HydrophobicContact CB-CG2 4.46Å; P91-T278 HydrophobicContact CG-CG2 4.03Å; A276-T278 PolarHBondContact O-N 3.14Å
279P80.4Confident70.1Confident83 Ų8374.4 Ų74.454%0.53942%0.423SS..PPolyproline II helixtrans-64.6146.2-179.525.7-33.3000111.5N281P279-N281 PolarHBondContact O-N 2.9Å
280L78.4Confident69.2Low30 Ų3079 Ų7916%0.15744%0.442CS..  trans-82.5103.2175.9-165.574000109.6P91 F92 N119 A122 M126 F282P91-L280 HydrophobicContact CB-CD1 3.57Å; F92-L280 HydrophobicContact CE1-CD1 3.79Å; F92-L280 HydrophobicContact CZ-CD1 3.75Å; N119-L280 HydrophobicContact CB-CD2 4.46Å; A122-L280 HydrophobicContact CB-CD2 3.89Å; M126-L280 HydrophobicContact CE-CD1 3.71Å; M126-L280 HydrophobicContact CE-CG 4.04Å; M126-L280 HydrophobicContact SD-CD1 3.5Å; M126-L280 WeakPolarHBondContact SD-CD1 3.31Å; M126-L280 HydrophobicContact SD-CD2 3.96Å; M126-L280 HydrophobicContact SD-CG 3.78Å; L280-F282 HydrophobicContact CD2-CD2 4.38Å; L280-F282 HydrophobicContact CD2-CE1 4.16Å; L280-F282 HydrophobicContact CD2-CE2 3.66Å; L280-F282 HydrophobicContact CD2-CZ 3.53Å; L280-F282 HydrophobicContact CG-CE2 4.4Å; L280-F282 PolarHBondContact O-N 2.86Å
281N73.4Confident68.5Low125 Ų12581.6 Ų81.667%0.66847%0.468SS*.  trans-87.3104.6172.7-68.5-30.4000109.5M126 P279 A283M126-N281 VanDerWaalsContact CE-O 3.24Å; M126-N281 WeakPolarHBondContact CE-O 3.36Å; P279-N281 PolarHBondContact O-N 2.9Å; N281-A283 PolarHBondContact O-N 3.18Å
282F64.1Low68.1Low147 Ų14779 Ų7965%0.64546%0.456SS*.  trans-69.182.5166-71.7-79.7000109.4A122 M126 L280 S284A122-F282 HydrophobicContact CB-CE1 4.02Å; A122-F282 HydrophobicContact CB-CZ 4.04Å; M126-F282 HydrophobicContact SD-CD1 4.2Å; M126-F282 HydrophobicContact SD-CE1 4.16Å; L280-F282 HydrophobicContact CD2-CD2 4.38Å; L280-F282 HydrophobicContact CD2-CE1 4.16Å; L280-F282 HydrophobicContact CD2-CE2 3.66Å; L280-F282 HydrophobicContact CD2-CZ 3.53Å; L280-F282 HydrophobicContact CG-CE2 4.4Å; L280-F282 PolarHBondContact O-N 2.86Å; F282-S284 PolarHBondContact O-N 3.17Å
283A57.3Low68.1Low67 Ų6781.7 Ų81.755%0.55448%0.482SS*.  trans-70.8106.8154.800000106.1N281 N285N281-A283 PolarHBondContact O-N 3.18Å; A283-N285 PolarHBondContact O-N 3.36Å
284S46.5Very low68.4Low112 Ų11283.9 Ų83.978%0.78349%0.491SS*.  trans-66.866.3168.81740000109.4F282 S286F282-S284 PolarHBondContact O-N 3.17Å; S284-S286 PolarHBondContact O-N 2.78Å
285N44.3Very low68.8Low131 Ų13188.1 Ų88.170%0.70151%0.513SS*.  trans-85.346.5177.1-74.3-5.2000110.6A283 P287A283-N285 PolarHBondContact O-N 3.36Å; N285-P287 WeakPolarHBondContact O-CD 3.45Å
286S44.7Very low69.4Low66 Ų6691.3 Ų91.346%0.46253%0.532SS..  trans-103.387.6166.9-178.60000109.9S284 R288S284-S286 PolarHBondContact O-N 2.78Å; S286-R288 PolarHBondContact O-N 2.97Å; S286-R288 WeakPolarHBondContact OG-CB 3.1Å; S286-R288 PolarHBondContact OG-N 2.56Å
287P45.8Very low70.1Confident116 Ų11691.4 Ų91.475%0.75353%0.529SS*.  trans-82.246.5153.236.4-30.6000108.9N285N285-P287 WeakPolarHBondContact O-CD 3.45Å
288R54.9Low70.7Confident56 Ų5691.8 Ų91.821%0.21154%0.535CS..  trans-99.25.9-171.4-62.5-175176.7152.7-3.7115.4S286 K290 Q357 E361S286-R288 PolarHBondContact O-N 2.97Å; S286-R288 WeakPolarHBondContact OG-CB 3.1Å; S286-R288 PolarHBondContact OG-N 2.56Å; R288-K290 VanDerWaalsContact C-N 3.34Å; R288-K290 PolarHBondContact O-N 3.08Å; R288-Q357 PolarHBondContact NH1-O 2.73Å; R288-E361 IonicContact CZ-OE1 3.2Å; R288-E361 IonicContact NH2-OE1 3.61Å; R288-E361 PolarHBondContact NH2-OE1 3.17Å; R288-E361 IonicContact NH2-OE2 2.76Å
289N51.7Low71.4Confident164 Ų16489.4 Ų89.488%0.87752%0.52SS*.  trans-82.5-0.6177.9-78.5-9.4000115.2A291N289-A291 PolarHBondContact O-N 3.14Å
290K60.1Low72Confident172 Ų17290.3 Ų90.375%0.74852%0.519SS*.SBendtrans-69.1132.2171.8-70.9-173.3179.3-1800109.4R288 V292R288-K290 VanDerWaalsContact C-N 3.34Å; R288-K290 PolarHBondContact O-N 3.08Å; K290-V292 VanDerWaalsContact C-N 3.28Å; K290-V292 HydrophobicContact CB-CG2 4.47Å; K290-V292 PolarHBondContact O-N 3.15Å
291A66.3Low72.6Confident103 Ų10390.6 Ų90.685%0.85152%0.523SS*.  trans-64.791.2170.300000108.8N289N289-A291 PolarHBondContact O-N 3.14Å
292V75.4Confident73.4Confident48 Ų4889.5 Ų89.529%0.29152%0.515SS..  trans-91122.9172.3-178.90000107.7K290 Y294 K391K290-V292 VanDerWaalsContact C-N 3.28Å; K290-V292 HydrophobicContact CB-CG2 4.47Å; K290-V292 PolarHBondContact O-N 3.15Å; V292-Y294 HydrophobicContact CB-CD2 4.43Å; V292-Y294 HydrophobicContact CB-CE2 3.76Å; V292-Y294 HydrophobicContact CG1-CD2 4.36Å; V292-Y294 HydrophobicContact CG1-CE1 4.34Å; V292-Y294 HydrophobicContact CG1-CE2 3.94Å; V292-Y294 WeakPolarHBondContact O-CD2 3.42Å; V292-Y294 WeakPolarHBondContact O-CE2 3.32Å; V292-K391 HydrophobicContact CG1-CD 3.66Å
293A86.2Confident74.8Confident86 Ų8685.1 Ų85.171%0.71150%0.502SS*.  trans-73.1125.8167.300000109.2
294Y92.7Very high76.6Confident46 Ų4686.9 Ų86.918%0.1850%0.498CS..  trans-109.3142.8176.7-66.8-91.9000109.2V292 I320 F322 K356 H389 K391V292-Y294 HydrophobicContact CB-CD2 4.43Å; V292-Y294 HydrophobicContact CB-CE2 3.76Å; V292-Y294 HydrophobicContact CG1-CD2 4.36Å; V292-Y294 HydrophobicContact CG1-CE1 4.34Å; V292-Y294 HydrophobicContact CG1-CE2 3.94Å; V292-Y294 WeakPolarHBondContact O-CD2 3.42Å; V292-Y294 WeakPolarHBondContact O-CE2 3.32Å; Y294-I320 HydrophobicContact CE1-CG1 4.36Å; Y294-I320 HydrophobicContact CE1-CG2 4.01Å; Y294-F322 HydrophobicContact CD1-CE1 4.1Å; Y294-F322 HydrophobicContact CD2-CE1 4.03Å; Y294-F322 HydrophobicContact CE1-CD1 4.39Å; Y294-F322 HydrophobicContact CE1-CE1 4.05Å; Y294-F322 AromaticContact CE2-CE1 3.99Å; Y294-F322 HydrophobicContact CE2-CE1 3.99Å; Y294-F322 HydrophobicContact CG-CE1 4.1Å; Y294-K356 HydrophobicContact CE2-CD 4.49Å; Y294-H389 HydrophobicContact CG-CB 4.39Å; Y294-K391 HydrophobicContact CD1-CB 4.22Å
295N95.4Very high78.9Confident93 Ų9383.6 Ų83.650%0.49747%0.474SS..EExtended strand (participates in β ladder)trans-73.9156.4162.1-65.5-40.8000108.9H389 Y390N295-H389 CarbonylContact O-C 3.55Å; N295-H389 VanDerWaalsContact O-CA 3.24Å; N295-H389 WeakPolarHBondContact O-CA 3.17Å; N295-Y390 HydrophobicContact CB-CD1 3.93Å; N295-Y390 HydrophobicContact CB-CD2 4.42Å; N295-Y390 HydrophobicContact CB-CE1 3.32Å; N295-Y390 HydrophobicContact CB-CE2 3.87Å; N295-Y390 HydrophobicContact CB-CG 4.45Å; N295-Y390 PolarHBondContact N-O 3.41Å; N295-Y390 PolarHBondContact O-N 2.87Å
296T95.9Very high81.4Confident75 Ų7579.4 Ų79.446%0.4646%0.455SS..EExtended strand (participates in β ladder)trans-126.5128.6179.6-53.70000110.2V388 H389T296-V388 CarbonylContact C-O 3.6Å; T296-V388 WeakPolarHBondContact CA-O 3.49Å; T296-H389 PolarHBondContact OG1-CE1 2.94Å; T296-H389 PolarHBondContact OG1-ND1 3.01Å
297L95Very high83.9Confident27 Ų2777.4 Ų77.414%0.14144%0.439CS..EExtended strand (participates in β ladder)trans-104.2138.6167.2-56.1176.3000109.4L299 C305 I307 F376 N387 V388 Y390L297-L299 HydrophobicContact CB-CD2 4.4Å; L297-L299 HydrophobicContact CB-CG 4.48Å; L297-C305 HydrophobicContact CD1-CB 4.2Å; L297-I307 HydrophobicContact CD1-CD1 4.24Å; L297-F376 HydrophobicContact CD1-CD2 4Å; L297-F376 HydrophobicContact CD1-CG 4.32Å; L297-N387 WeakPolarHBondContact O-CA 3.48Å; L297-V388 HydrophobicContact CB-CB 4.29Å; L297-V388 PolarHBondContact N-O 3.31Å; L297-V388 PolarHBondContact O-N 2.68Å; L297-Y390 HydrophobicContact CD1-CD1 4.2Å; L297-Y390 HydrophobicContact CD1-CE1 4.03Å; L297-Y390 HydrophobicContact CD2-CE1 3.8Å; L297-Y390 HydrophobicContact CG-CD1 3.9Å; L297-Y390 HydrophobicContact CG-CE1 3.53Å
298L95.3Very high86.3Confident126 Ų12676 Ų7666%0.6642%0.421SS*.EExtended strand (participates in β ladder)trans-100.8114.7165.4-75.6161000107.5V385 N387L298-V385 HydrophobicContact CD2-CG1 4.1Å; L298-N387 WeakPolarHBondContact CD2-OD1 3.38Å
299L95.2Very high88.3Confident5 Ų574.7 Ų74.73%0.02642%0.417CS..EExtended strand (participates in β ladder)trans-107.7110.5177.1-54.2172.7000109.3L297 C305 F376 N378 I386 V388L297-L299 HydrophobicContact CB-CD2 4.4Å; L297-L299 HydrophobicContact CB-CG 4.48Å; L299-C305 HydrophobicContact CD2-CB 3.4Å; L299-F376 HydrophobicContact CD1-CB 3.75Å; L299-N378 HydrophobicContact CB-CB 3.97Å; L299-N378 PolarHBondContact O-ND2 2.89Å; L299-N378 VanDerWaalsContact O-ND2 3.09Å; L299-I386 HydrophobicContact CB-CD1 4.17Å; L299-I386 HydrophobicContact CB-CG1 3.62Å; L299-I386 HydrophobicContact CD1-CD1 3.89Å; L299-I386 HydrophobicContact CD1-CG1 4.09Å; L299-I386 HydrophobicContact CG-CG1 4.28Å; L299-I386 PolarHBondContact N-O 3.29Å; L299-I386 PolarHBondContact O-N 3.47Å; L299-V388 HydrophobicContact CD1-CG2 3.66Å; L299-V388 HydrophobicContact CG-CG2 4.35Å
300L93.9Very high90.4Very high101 Ų10171.1 Ų71.153%0.52940%0.398SS..  trans-62.5158.6169.2-58.8178.1000110.4M302 C303 N378 V385L300-M302 PolarHBondContact O-N 2.84Å; L300-C303 HydrophobicContact CB-CB 4.16Å; L300-C303 VanDerWaalsContact O-CB 3.3Å; L300-C303 WeakPolarHBondContact O-CB 3.33Å; L300-C303 PolarHBondContact O-N 2.79Å; L300-N378 VanDerWaalsContact O-CB 3.26Å; L300-N378 WeakPolarHBondContact O-CB 3.39Å; L300-N378 PolarHBondContact O-ND2 2.82Å; L300-V385 HydrophobicContact CD2-CG1 4.42Å; L300-V385 HydrophobicContact CD2-CG2 3.89Å
301P91.5Very high92.1Very high37 Ų3763.3 Ų63.324%0.2437%0.365CS..THydrogen-bonded Turntrans-50135.2176.6-29.636.1000112.9C303 N378 S382P301-C303 PolarHBondContact O-N 2.87Å; P301-N378 WeakPolarHBondContact CA-ND2 3.5Å; P301-S382 WeakPolarHBondContact CB-O 3.26Å; P301-S382 WeakPolarHBondContact CG-O 3.49Å
302M89.6Confident93.4Very high101 Ų10167.7 Ų67.750%0.49837%0.368SS..THydrogen-bonded Turntrans58.18.8-179-57-61.8-60.600115.3L300 N378 D380 R381L300-M302 PolarHBondContact O-N 2.84Å; M302-N378 VanDerWaalsContact CA-O 3.23Å; M302-N378 WeakPolarHBondContact CA-O 3.08Å; M302-N378 PolarHBondContact N-O 2.86Å; M302-D380 PolarHBondContact N-O 3.46Å; M302-R381 HydrophobicContact SD-CG 3.66Å
303C93.7Very high94.2Very high56 Ų5669 Ų6938%0.37838%0.379SS..  trans-89144.5177.2-700000111.7L300 P301 E377 N378L300-C303 HydrophobicContact CB-CB 4.16Å; L300-C303 VanDerWaalsContact O-CB 3.3Å; L300-C303 WeakPolarHBondContact O-CB 3.33Å; L300-C303 PolarHBondContact O-N 2.79Å; P301-C303 PolarHBondContact O-N 2.87Å; C303-E377 WeakPolarHBondContact O-CA 3.22Å; C303-N378 PolarHBondContact O-N 2.86Å
304K94.3Very high94.7Very high104 Ų10472.1 Ų72.145%0.45237%0.373SS..EExtended strand (participates in β ladder)trans-112.6134.8175.6-179.5-178.9174.8-176.80109.9E375 F376 E377K304-E375 VanDerWaalsContact CE-CD 3.45Å; K304-E375 WeakPolarHBondContact CE-OE1 3.36Å; K304-E375 IonicContact NZ-OE1 3.98Å; K304-E375 PolarHBondContact NZ-OE1 3.37Å; K304-E375 IonicContact NZ-OE2 3.79Å; K304-E375 PolarHBondContact NZ-OE2 3.38Å; K304-F376 CarbonylContact C-O 3.56Å; K304-F376 WeakPolarHBondContact CA-O 3.03Å; K304-E377 HydrophobicContact CB-CB 4.29Å; K304-E377 HydrophobicContact CB-CG 4.31Å; K304-E377 HydrophobicContact CG-CB 4.36Å
305C96.2Very high94.8Very high42 Ų4270.3 Ų70.328%0.28437%0.367SS..EExtended strand (participates in β ladder)trans-118.8152.9167.5-170.30000109L297 L299 F376L297-C305 HydrophobicContact CD1-CB 4.2Å; L299-C305 HydrophobicContact CD2-CB 3.4Å; C305-F376 PolarHBondContact N-O 2.9Å; C305-F376 PolarHBondContact O-N 3.19Å
306S96.2Very high94.9Very high44 Ų4467.5 Ų67.531%0.30835%0.351SS..EExtended strand (participates in β ladder)trans-140.6139.5178.6-55.60000110.8L374S306-L374 CarbonylContact C-O 3.55Å; S306-L374 VanDerWaalsContact CA-O 3.27Å; S306-L374 WeakPolarHBondContact CA-O 3.24Å
307I96.6Very high95Very high23 Ų2364 Ų6412%0.11833%0.329CS..EExtended strand (participates in β ladder)trans-112.5117.1-178.2-50.3-179.7000107.9L297 M309 W373 L374 F376 Y390L297-I307 HydrophobicContact CD1-CD1 4.24Å; I307-M309 HydrophobicContact CG2-SD 4.35Å; I307-W373 WeakPolarHBondContact O-CA 3.34Å; I307-L374 HydrophobicContact CB-CB 4.34Å; I307-L374 PolarHBondContact N-O 3.43Å; I307-L374 PolarHBondContact O-N 2.87Å; I307-F376 HydrophobicContact CD1-CD2 4.28Å; I307-F376 HydrophobicContact CD1-CE2 3.62Å; I307-F376 HydrophobicContact CD1-CZ 4.46Å; I307-F376 HydrophobicContact CG1-CD2 4.42Å; I307-F376 HydrophobicContact CG1-CE2 4.1Å; I307-Y390 HydrophobicContact CD1-CD1 4.2Å; I307-Y390 HydrophobicContact CD1-CD2 3.51Å; I307-Y390 HydrophobicContact CD1-CE1 3.82Å; I307-Y390 HydrophobicContact CD1-CE2 3.1Å; I307-Y390 HydrophobicContact CD1-CG 4.04Å; I307-Y390 HydrophobicContact CG1-CE2 4.43Å
308K97Very high95.1Very high87 Ų8767.3 Ų67.338%0.37834%0.34SS..EExtended strand (participates in β ladder)trans-82.4133.6179.8-173.3178.3178.6167.90110.8N310 E371 Y372 W373K308-N310 WeakPolarHBondContact CE-OD1 3.38Å; K308-E371 VanDerWaalsContact CE-OE1 3.26Å; K308-E371 WeakPolarHBondContact CE-OE1 2.92Å; K308-E371 WeakPolarHBondContact CE-OE2 3.32Å; K308-E371 IonicContact NZ-OE1 2.68Å; K308-E371 PolarHBondContact NZ-OE1 2.97Å; K308-E371 IonicContact NZ-OE2 3.46Å; K308-E371 PolarHBondContact NZ-OE2 3.29Å; K308-Y372 CarbonylContact C-O 3.08Å; K308-Y372 WeakPolarHBondContact CA-O 3.26Å; K308-W373 HydrophobicContact CB-CD2 4.25Å; K308-W373 HydrophobicContact CB-CE3 4.02Å; K308-W373 HydrophobicContact CB-CH2 4.04Å; K308-W373 HydrophobicContact CB-CZ2 4.24Å; K308-W373 HydrophobicContact CB-CZ3 3.92Å; K308-W373 HydrophobicContact CD-CH2 3.82Å; K308-W373 HydrophobicContact CD-CZ2 3.62Å; K308-W373 HydrophobicContact CG-CD2 4.37Å; K308-W373 HydrophobicContact CG-CH2 4.16Å; K308-W373 HydrophobicContact CG-CZ2 3.9Å; K308-W373 HydrophobicContact CG-CZ3 4.47Å
309M96.8Very high95.1Very high28 Ų2861.7 Ų61.714%0.13831%0.31CS..EExtended strand (participates in β ladder)trans-129124.7175.5-58.7-61.4-63.200108.8I307 P311 L317 Y372 L374 C392 L394I307-M309 HydrophobicContact CG2-SD 4.35Å; M309-P311 WeakPolarHBondContact O-CD 3.32Å; M309-L317 HydrophobicContact CE-CD1 4.18Å; M309-L317 HydrophobicContact CG-CD1 4.13Å; M309-Y372 PolarHBondContact N-O 3.11Å; M309-Y372 PolarHBondContact O-N 3.33Å; M309-L374 HydrophobicContact CG-CD1 3.56Å; M309-C392 HydrophobicContact CE-CB 4.48Å; M309-C392 HydrophobicContact SD-CB 4.37Å; M309-L394 HydrophobicContact CE-CD1 4.06Å; M309-L394 HydrophobicContact CE-CD2 4.38Å; M309-L394 HydrophobicContact CE-CG 3.75Å
310N95.9Very high95.1Very high89 Ų8963.1 Ų63.148%0.47632%0.317SS..  trans-114.796.6-179.8-67.8-18.2000109.3K308K308-N310 WeakPolarHBondContact CE-OD1 3.38Å
311P95Very high95.2Very high8 Ų858.3 Ų58.35%0.05229%0.292CS..  trans-64.8137.317027.7-33.9000111.2M309 V366 D367 G368 F370 Y372 L394M309-P311 WeakPolarHBondContact O-CD 3.32Å; P311-V366 HydrophobicContact CB-CG2 3.97Å; P311-V366 HydrophobicContact CG-CB 4.31Å; P311-V366 HydrophobicContact CG-CG2 4.11Å; P311-D367 WeakPolarHBondContact CG-O 3.34Å; P311-G368 VanDerWaalsContact O-CA 3.25Å; P311-G368 WeakPolarHBondContact O-CA 3.23Å; P311-F370 WeakPolarHBondContact CD-O 3.35Å; P311-Y372 HydrophobicContact CG-CD2 3.9Å; P311-Y372 HydrophobicContact CG-CE2 3.79Å; P311-L394 HydrophobicContact CB-CD1 4.37Å; P311-L394 HydrophobicContact CB-CD2 4.39Å
312E93.2Very high95.4Very high196 Ų19657.9 Ų57.992%0.91629%0.286SS*.SBendtrans-81.1-24.1172.2-65178.7174.500111.9
313S93.4Very high95.7Very high74 Ų7453.3 Ų53.352%0.51726%0.264SS..SBendtrans-154.4172.4-177.9600000109.7C315S313-C315 PolarHBondContact O-N 3.43Å; S313-C315 PolarHBondContact O-SG 3.41Å
314R95.8Very high95.6Very high153 Ų15353 Ų5358%0.57726%0.263SS*.SBendtrans-58.6113.4175.3-166.9176178.3178.4-0.4110.8L365 V366 L397R314-L365 HydrophobicContact CG-CD1 4.31Å; R314-V366 CarbonylContact C-O 3.51Å; R314-V366 VanDerWaalsContact CA-O 3.26Å; R314-V366 WeakPolarHBondContact CA-O 3.41Å; R314-L397 HydrophobicContact CG-CD1 4.24Å
315C96.2Very high95.4Very high8 Ų848.2 Ų48.25%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-149.1177.8-17268.50000111.4S313 V366 E395S313-C315 PolarHBondContact O-N 3.43Å; S313-C315 PolarHBondContact O-SG 3.41Å; C315-V366 PolarHBondContact N-O 2.91Å; C315-V366 VanDerWaalsContact O-CG2 3.31Å; C315-V366 WeakPolarHBondContact O-CG2 3.38Å; C315-V366 PolarHBondContact O-N 2.86Å; C315-V366 VanDerWaalsContact SG-CG2 3.57Å; C315-E395 VanDerWaalsContact CB-O 3.3Å; C315-E395 WeakPolarHBondContact CB-O 3.5Å
316M96.9Very high95.2Very high34 Ų3448 Ų4817%0.16724%0.239CC..EExtended strand (participates in β ladder)trans-100.4118.2178.7-168.662.270.400110.3R318 E363 L364 L365 L394 E395 L397M316-R318 HydrophobicContact CG-CG 3.94Å; M316-E363 HydrophobicContact CG-CB 4.05Å; M316-E363 HydrophobicContact CG-CG 4.48Å; M316-E363 HydrophobicContact SD-CB 3.82Å; M316-E363 HydrophobicContact SD-CG 3.91Å; M316-L364 VanDerWaalsContact SD-O 3.36Å; M316-L365 HydrophobicContact CE-CD1 4.34Å; M316-L394 WeakPolarHBondContact O-CA 3.25Å; M316-E395 PolarHBondContact N-O 2.93Å; M316-E395 PolarHBondContact O-N 3.07Å; M316-L397 HydrophobicContact CB-CD2 4.48Å
317L97.5Very high95.1Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-82.3120.8166.2172.662.6000108.7M309 W319 I331 E363 L364 V366 L374 C392 L394M309-L317 HydrophobicContact CE-CD1 4.18Å; M309-L317 HydrophobicContact CG-CD1 4.13Å; L317-W319 HydrophobicContact CD2-CE3 4.45Å; L317-W319 HydrophobicContact CG-CE3 4.12Å; L317-W319 HydrophobicContact CG-CZ3 4.39Å; L317-I331 HydrophobicContact CD2-CD1 4.3Å; L317-E363 CarbonylContact O-C 3.56Å; L317-E363 VanDerWaalsContact O-CA 3.28Å; L317-E363 WeakPolarHBondContact O-CA 3.14Å; L317-L364 PolarHBondContact N-O 3.05Å; L317-L364 PolarHBondContact O-N 3.09Å; L317-V366 HydrophobicContact CB-CB 4.47Å; L317-V366 HydrophobicContact CB-CG1 3.58Å; L317-V366 HydrophobicContact CB-CG2 4.01Å; L317-V366 HydrophobicContact CD2-CG1 4.14Å; L317-L374 HydrophobicContact CD1-CD1 4.45Å; L317-L374 HydrophobicContact CD2-CD1 3.9Å; L317-C392 HydrophobicContact CD1-CB 4.5Å; L317-L394 HydrophobicContact CB-CD2 4.01Å; L317-L394 HydrophobicContact CD1-CD2 3.96Å
318R96.2Very high95.1Very high98 Ų9847.3 Ų47.337%0.3723%0.229SC..EExtended strand (participates in β ladder)trans-116136.6173.8-66-170.2164.8165.4-12.8110.4M316 E363 C392 K393 E395M316-R318 HydrophobicContact CG-CG 3.94Å; R318-E363 HydrophobicContact CG-CB 3.87Å; R318-E363 IonicContact CZ-OE2 2.77Å; R318-E363 IonicContact NE-OE2 3.5Å; R318-E363 PolarHBondContact NE-OE2 2.82Å; R318-E363 IonicContact NH2-OE2 2.6Å; R318-E363 PolarHBondContact NH2-OE2 2.8Å; R318-C392 CarbonylContact O-C 3.54Å; R318-C392 VanDerWaalsContact O-CA 3.27Å; R318-C392 WeakPolarHBondContact O-CA 3.3Å; R318-K393 HydrophobicContact CB-CG 4.14Å; R318-K393 PolarHBondContact N-O 2.84Å; R318-K393 PolarHBondContact O-N 3.03Å; R318-E395 VanDerWaalsContact CD-OE2 3.29Å; R318-E395 WeakPolarHBondContact CD-OE2 3.24Å; R318-E395 IonicContact CZ-OE2 2.79Å; R318-E395 IonicContact NE-OE2 3.86Å; R318-E395 IonicContact NH1-OE2 3.51Å; R318-E395 PolarHBondContact NH1-OE2 3.29Å
319W95.5Very high95.1Very high8 Ų843.1 Ų43.13%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-130.8152.9173.464.591.1000111.7L317 F321 F329 I331 Y345 E361 D362 L364 L374 K391 C392L317-W319 HydrophobicContact CD2-CE3 4.45Å; L317-W319 HydrophobicContact CG-CE3 4.12Å; L317-W319 HydrophobicContact CG-CZ3 4.39Å; W319-F321 AromaticContact CD1-CD1 3.87Å; W319-F321 AromaticContact CD1-CE1 3.96Å; W319-F329 AromaticContact CD1-CZ 3.88Å; W319-F329 HydrophobicContact CD2-CZ 4.34Å; W319-F329 AromaticContact CE2-CE1 3.76Å; W319-F329 AromaticContact CE2-CZ 3.87Å; W319-F329 HydrophobicContact CG-CZ 4.28Å; W319-F329 HydrophobicContact CZ2-CE1 4.01Å; W319-F329 HydrophobicContact CZ2-CZ 4.41Å; W319-F329 AromaticContact NE1-CE1 3.45Å; W319-F329 AromaticContact NE1-CZ 3.61Å; W319-I331 HydrophobicContact CD2-CD1 4.13Å; W319-I331 HydrophobicContact CE3-CD1 3.8Å; W319-I331 HydrophobicContact CH2-CD1 3.38Å; W319-I331 HydrophobicContact CZ2-CD1 3.67Å; W319-I331 HydrophobicContact CZ3-CD1 3.44Å; W319-I331 VanDerWaalsContact CZ3-CD1 3.44Å; W319-Y345 AromaticContact CH2-CD2 3.85Å; W319-Y345 HydrophobicContact CH2-CD2 3.85Å; W319-Y345 AromaticContact CH2-CE2 3.92Å; W319-Y345 HydrophobicContact CH2-CE2 3.92Å; W319-Y345 AromaticContact CZ2-CD2 3.79Å; W319-Y345 HydrophobicContact CZ2-CD2 3.79Å; W319-Y345 HydrophobicContact CZ2-CE1 4.48Å; W319-Y345 AromaticContact CZ2-CE2 3.53Å; W319-Y345 HydrophobicContact CZ2-CE2 3.53Å; W319-Y345 HydrophobicContact CZ2-CG 4.35Å; W319-Y345 AromaticContact CZ2-CZ 3.88Å; W319-E361 WeakPolarHBondContact O-CA 3.23Å; W319-D362 HydrophobicContact CD2-CB 4.5Å; W319-D362 HydrophobicContact CH2-CB 4.04Å; W319-D362 HydrophobicContact CZ2-CB 3.44Å; W319-D362 VanDerWaalsContact CZ2-CB 3.44Å; W319-D362 PolarHBondContact N-O 2.85Å; W319-D362 VanDerWaalsContact N-O 3.15Å; W319-D362 PolarHBondContact O-N 2.85Å; W319-L364 HydrophobicContact CH2-CB 3.97Å; W319-L364 HydrophobicContact CZ3-CB 3.65Å; W319-L374 HydrophobicContact CB-CD2 3.96Å; W319-L374 HydrophobicContact CG-CD2 4.38Å; W319-K391 WeakPolarHBondContact CA-O 3.31Å; W319-C392 HydrophobicContact CB-CB 4.4Å
320I95.4Very high95.1Very high34 Ų3442 Ų4217%0.17421%0.206CC..EExtended strand (participates in β ladder)trans-141.9132.8169.9-177.2170000107.9Y294 P359 E360 E361 Y390 K391Y294-I320 HydrophobicContact CE1-CG1 4.36Å; Y294-I320 HydrophobicContact CE1-CG2 4.01Å; I320-P359 HydrophobicContact CD1-CB 4.17Å; I320-P359 HydrophobicContact CD1-CG 3.7Å; I320-P359 HydrophobicContact CG1-CB 3.81Å; I320-P359 HydrophobicContact CG1-CG 3.91Å; I320-E360 CarbonylContact C-O 3.59Å; I320-E360 WeakPolarHBondContact CA-O 3.47Å; I320-E361 HydrophobicContact CB-CB 4.28Å; I320-E361 HydrophobicContact CG1-CB 4.18Å; I320-Y390 CarbonylContact O-C 3.56Å; I320-Y390 WeakPolarHBondContact O-CA 3.26Å; I320-K391 HydrophobicContact CG2-CB 3.82Å; I320-K391 PolarHBondContact N-O 2.81Å; I320-K391 PolarHBondContact O-N 3.3Å
321F96.3Very high95.2Very high1 Ų137.7 Ų37.70%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-150.1161.1174.670.4-96.3000112.9W319 L327 F329 I350 P359 E360 F376 V388 H389W319-F321 AromaticContact CD1-CD1 3.87Å; W319-F321 AromaticContact CD1-CE1 3.96Å; F321-L327 HydrophobicContact CD2-CD2 3.96Å; F321-L327 HydrophobicContact CE2-CD2 3.48Å; F321-L327 VanDerWaalsContact CE2-CD2 3.48Å; F321-L327 HydrophobicContact CZ-CD2 4.28Å; F321-F329 HydrophobicContact CD1-CE2 4.48Å; F321-F329 AromaticContact CE1-CD1 3.96Å; F321-F329 HydrophobicContact CE1-CD1 3.96Å; F321-F329 AromaticContact CE1-CD2 3.92Å; F321-F329 HydrophobicContact CE1-CD2 3.92Å; F321-F329 HydrophobicContact CE1-CE1 4.05Å; F321-F329 AromaticContact CE1-CE2 4Å; F321-F329 HydrophobicContact CE1-CE2 4Å; F321-F329 AromaticContact CE1-CG 3.9Å; F321-F329 HydrophobicContact CE1-CG 3.9Å; F321-F329 HydrophobicContact CE1-CZ 4.05Å; F321-F329 HydrophobicContact CZ-CB 4.2Å; F321-F329 HydrophobicContact CZ-CD1 4.22Å; F321-F329 HydrophobicContact CZ-CD2 4.23Å; F321-F329 AromaticContact CZ-CG 3.95Å; F321-F329 HydrophobicContact CZ-CG 3.95Å; F321-I350 HydrophobicContact CE2-CG2 4.26Å; F321-I350 HydrophobicContact CZ-CD1 4.05Å; F321-I350 HydrophobicContact CZ-CG2 4.28Å; F321-P359 CarbonylContact O-C 3.57Å; F321-P359 WeakPolarHBondContact O-CA 3.44Å; F321-P359 VanDerWaalsContact O-CB 3.26Å; F321-P359 WeakPolarHBondContact O-CB 3.43Å; F321-E360 HydrophobicContact CD1-CB 4.11Å; F321-E360 HydrophobicContact CD1-CG 4.37Å; F321-E360 HydrophobicContact CD2-CB 4.14Å; F321-E360 HydrophobicContact CE1-CB 3.77Å; F321-E360 HydrophobicContact CE1-CG 3.63Å; F321-E360 HydrophobicContact CE2-CB 3.77Å; F321-E360 HydrophobicContact CE2-CG 4.25Å; F321-E360 HydrophobicContact CG-CB 4.29Å; F321-E360 HydrophobicContact CZ-CB 3.58Å; F321-E360 HydrophobicContact CZ-CG 3.56Å; F321-E360 PolarHBondContact N-O 3.46Å; F321-E360 PolarHBondContact O-N 3.41Å; F321-F376 HydrophobicContact CB-CE1 4.42Å; F321-F376 AromaticContact CD1-CE1 3.92Å; F321-F376 HydrophobicContact CD1-CE1 3.92Å; F321-F376 HydrophobicContact CD1-CZ 4.43Å; F321-F376 HydrophobicContact CD2-CE1 4.35Å; F321-F376 HydrophobicContact CE1-CE1 4.23Å; F321-F376 AromaticContact CG-CE1 3.98Å; F321-F376 HydrophobicContact CG-CE1 3.98Å; F321-V388 HydrophobicContact CB-CG1 4.28Å; F321-V388 HydrophobicContact CD2-CG1 4.33Å; F321-H389 CarbonylContact C-O 3.53Å; F321-H389 WeakPolarHBondContact CA-O 3.38Å; F321-H389 WeakPolarHBondContact CB-O 3.24Å
322F95.8Very high95.3Very high28 Ų2837.6 Ų37.612%0.12318%0.182CC..EExtended strand (participates in β ladder)trans-142.1151166.159.9-85.7000110.1Y294 T352 K356 P359 H389Y294-F322 HydrophobicContact CD1-CE1 4.1Å; Y294-F322 HydrophobicContact CD2-CE1 4.03Å; Y294-F322 HydrophobicContact CE1-CD1 4.39Å; Y294-F322 HydrophobicContact CE1-CE1 4.05Å; Y294-F322 AromaticContact CE2-CE1 3.99Å; Y294-F322 HydrophobicContact CE2-CE1 3.99Å; Y294-F322 HydrophobicContact CG-CE1 4.1Å; F322-T352 WeakPolarHBondContact CA-OG1 3.14Å; F322-T352 HydrophobicContact CB-CG2 4.31Å; F322-T352 WeakPolarHBondContact CB-OG1 3.35Å; F322-K356 HydrophobicContact CD1-CB 4.3Å; F322-K356 HydrophobicContact CE1-CB 3.98Å; F322-K356 HydrophobicContact CE1-CG 4.3Å; F322-K356 HydrophobicContact CE2-CB 4.34Å; F322-K356 HydrophobicContact CZ-CB 4Å; F322-P359 HydrophobicContact CB-CB 4.19Å; F322-P359 HydrophobicContact CD1-CB 4.37Å; F322-H389 HydrophobicContact CD1-CB 3.96Å; F322-H389 HydrophobicContact CD2-CB 4.05Å; F322-H389 AromaticContact CD2-CD2 3.76Å; F322-H389 HydrophobicContact CE1-CB 3.46Å; F322-H389 VanDerWaalsContact CE1-CB 3.46Å; F322-H389 HydrophobicContact CE2-CB 3.58Å; F322-H389 AromaticContact CE2-CD2 3.14Å; F322-H389 WeakPolarHBondContact CE2-CD2 3.37Å; F322-H389 AromaticContact CE2-CG 3.51Å; F322-H389 HydrophobicContact CG-CB 4.23Å; F322-H389 HydrophobicContact CZ-CB 3.25Å; F322-H389 AromaticContact CZ-CD2 3.65Å; F322-H389 AromaticContact CZ-CG 3.49Å; F322-H389 VanDerWaalsContact CZ-CG 3.49Å; F322-H389 PolarHBondContact N-O 3.42Å; F322-H389 PolarHBondContact O-N 3.21Å
323T95.2Very high95.5Very high5 Ų532.1 Ų32.13%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-130.2153.8-174.6-176.60000112.4G325 L327 T352 N387T323-G325 WeakPolarHBondContact CG2-O 3.46Å; T323-G325 PolarHBondContact OG1-N 3.32Å; T323-L327 HydrophobicContact CG2-CB 4.47Å; T323-L327 HydrophobicContact CG2-CD2 3.66Å; T323-T352 PolarHBondContact N-OG1 3.09Å; T323-T352 PolarHBondContact O-OG1 2.85Å; T323-T352 VanDerWaalsContact O-OG1 3.05Å; T323-N387 WeakPolarHBondContact CA-O 3.46Å; T323-N387 PolarHBondContact OG1-O 3.14Å; T323-N387 VanDerWaalsContact OG1-O 3.06Å
324S92.7Very high95.7Very high49 Ų4931.3 Ų31.334%0.34314%0.14SC..SBendtrans-75.9-28.9173.257.10000113.3R183 I386 N387R183-S324 PolarHBondContact NH2-O 2.97Å; S324-I386 WeakPolarHBondContact OG-CA 3.42Å; S324-N387 PolarHBondContact N-O 3.06Å; S324-N387 VanDerWaalsContact N-O 3.12Å; S324-N387 PolarHBondContact OG-N 3.3Å
325G90.7Very high95.7Very high3 Ų324.5 Ų24.53%0.03112%0.116CC..SBendtrans-126.8-161-172.100000113.6T323T323-G325 WeakPolarHBondContact CG2-O 3.46Å; T323-G325 PolarHBondContact OG1-N 3.32Å
326N91.5Very high95.5Very high39 Ų3928.7 Ų28.721%0.20914%0.137CC..  trans-88133.2171-68.9-16.7000108.9T187 I349 C351 V379T187-N326 PolarHBondContact OG1-OD1 3.01Å; N326-I349 HydrophobicContact CB-CG2 4.15Å; N326-C351 WeakPolarHBondContact OD1-CB 3.33Å; N326-V379 HydrophobicContact CB-CG2 3.98Å
327L94.5Very high95.3Very high0 Ų033.2 Ų33.20%017%0.167CC..EExtended strand (participates in β ladder)trans-135.1140.8-176.3109.791.4000109.2F321 T323 F329 I349 I350 F376 E377 I386 V388F321-L327 HydrophobicContact CD2-CD2 3.96Å; F321-L327 HydrophobicContact CE2-CD2 3.48Å; F321-L327 VanDerWaalsContact CE2-CD2 3.48Å; F321-L327 HydrophobicContact CZ-CD2 4.28Å; T323-L327 HydrophobicContact CG2-CB 4.47Å; T323-L327 HydrophobicContact CG2-CD2 3.66Å; L327-F329 HydrophobicContact CD1-CB 4.12Å; L327-I349 CarbonylContact O-C 3.56Å; L327-I349 WeakPolarHBondContact O-CA 3.18Å; L327-I350 PolarHBondContact N-O 3.32Å; L327-I350 PolarHBondContact O-N 3.27Å; L327-F376 HydrophobicContact CD1-CB 3.89Å; L327-F376 HydrophobicContact CD1-CD1 3.65Å; L327-F376 HydrophobicContact CD1-CG 4.23Å; L327-F376 HydrophobicContact CD2-CD1 4.28Å; L327-E377 CarbonylContact C-O 3.56Å; L327-E377 WeakPolarHBondContact CA-O 3.42Å; L327-I386 HydrophobicContact CB-CD1 3.73Å; L327-V388 HydrophobicContact CD2-CG1 4.44Å; L327-V388 HydrophobicContact CD2-CG2 4.15Å
328K95.5Very high95Very high51 Ų5137.3 Ų37.322%0.22219%0.189CC..EExtended strand (participates in β ladder)trans-89.7119.1168.9170.2173.5162.7-140.70109.8L348 E377 V379K328-L348 CarbonylContact C-O 3.47Å; K328-L348 WeakPolarHBondContact CA-O 3.09Å; K328-E377 HydrophobicContact CB-CB 4.16Å; K328-E377 WeakPolarHBondContact CD-OE2 3.28Å; K328-E377 WeakPolarHBondContact CE-OE2 3.29Å; K328-E377 PolarHBondContact N-O 2.88Å; K328-E377 IonicContact NZ-OE1 2.77Å; K328-E377 IonicContact NZ-OE2 2.69Å; K328-E377 PolarHBondContact NZ-OE2 2.83Å; K328-E377 PolarHBondContact O-N 2.76Å; K328-V379 HydrophobicContact CB-CG1 3.39Å; K328-V379 HydrophobicContact CD-CG1 4.42Å
329F97.2Very high94.7Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-113.7137.8-179.6-179.3-109.3000110.7W319 F321 L327 I331 Y345 P346 R347 L348 I350 L374 E375 F376W319-F329 AromaticContact CD1-CZ 3.88Å; W319-F329 HydrophobicContact CD2-CZ 4.34Å; W319-F329 AromaticContact CE2-CE1 3.76Å; W319-F329 AromaticContact CE2-CZ 3.87Å; W319-F329 HydrophobicContact CG-CZ 4.28Å; W319-F329 HydrophobicContact CZ2-CE1 4.01Å; W319-F329 HydrophobicContact CZ2-CZ 4.41Å; W319-F329 AromaticContact NE1-CE1 3.45Å; W319-F329 AromaticContact NE1-CZ 3.61Å; F321-F329 HydrophobicContact CD1-CE2 4.48Å; F321-F329 AromaticContact CE1-CD1 3.96Å; F321-F329 HydrophobicContact CE1-CD1 3.96Å; F321-F329 AromaticContact CE1-CD2 3.92Å; F321-F329 HydrophobicContact CE1-CD2 3.92Å; F321-F329 HydrophobicContact CE1-CE1 4.05Å; F321-F329 AromaticContact CE1-CE2 4Å; F321-F329 HydrophobicContact CE1-CE2 4Å; F321-F329 AromaticContact CE1-CG 3.9Å; F321-F329 HydrophobicContact CE1-CG 3.9Å; F321-F329 HydrophobicContact CE1-CZ 4.05Å; F321-F329 HydrophobicContact CZ-CB 4.2Å; F321-F329 HydrophobicContact CZ-CD1 4.22Å; F321-F329 HydrophobicContact CZ-CD2 4.23Å; F321-F329 AromaticContact CZ-CG 3.95Å; F321-F329 HydrophobicContact CZ-CG 3.95Å; L327-F329 HydrophobicContact CD1-CB 4.12Å; F329-I331 HydrophobicContact CE1-CD1 4.42Å; F329-I331 HydrophobicContact CE1-CG1 4.2Å; F329-I331 HydrophobicContact CZ-CD1 4.13Å; F329-I331 HydrophobicContact CZ-CG1 3.9Å; F329-Y345 HydrophobicContact CD1-CD1 4.07Å; F329-Y345 AromaticContact CD1-CE1 3.82Å; F329-Y345 HydrophobicContact CD1-CE1 3.82Å; F329-Y345 AromaticContact CE1-CD1 3.98Å; F329-Y345 HydrophobicContact CE1-CD1 3.98Å; F329-Y345 AromaticContact CE1-CE1 3.87Å; F329-Y345 HydrophobicContact CE1-CE1 3.87Å; F329-P346 VanDerWaalsContact O-O 3.1Å; F329-R347 WeakPolarHBondContact O-CA 3.32Å; F329-L348 PolarHBondContact N-O 3.42Å; F329-L348 PolarHBondContact O-N 2.91Å; F329-I350 HydrophobicContact CB-CD1 3.89Å; F329-I350 HydrophobicContact CD1-CD1 4.13Å; F329-I350 HydrophobicContact CG-CD1 4.4Å; F329-L374 HydrophobicContact CE2-CB 4.24Å; F329-L374 HydrophobicContact CZ-CD2 4.49Å; F329-E375 WeakPolarHBondContact CA-O 3.12Å; F329-E375 WeakPolarHBondContact CD2-O 3.3Å; F329-F376 AromaticContact CD2-CD1 3.79Å; F329-F376 HydrophobicContact CD2-CD1 3.79Å; F329-F376 AromaticContact CD2-CE1 3.54Å; F329-F376 HydrophobicContact CD2-CE1 3.54Å; F329-F376 HydrophobicContact CD2-CE2 4.48Å; F329-F376 HydrophobicContact CD2-CG 4.37Å; F329-F376 AromaticContact CD2-CZ 3.93Å; F329-F376 HydrophobicContact CD2-CZ 3.93Å; F329-F376 HydrophobicContact CE2-CD1 4.3Å; F329-F376 AromaticContact CE2-CE1 3.66Å; F329-F376 HydrophobicContact CE2-CE1 3.66Å; F329-F376 HydrophobicContact CE2-CE2 4.13Å; F329-F376 AromaticContact CE2-CZ 3.57Å; F329-F376 HydrophobicContact CE2-CZ 3.57Å
330S97.2Very high94.7Very high3 Ų341.7 Ų41.72%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-153.3166.5170.443.20000111.6E375S330-E375 PolarHBondContact N-O 3.07Å; S330-E375 VanDerWaalsContact N-O 3.15Å; S330-E375 PolarHBondContact O-N 2.97Å; S330-E375 PolarHBondContact OG-OE2 2.78Å
331I97.9Very high94.6Very high0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-125.7125.3169.9-51.7-179.9000108.1L317 W319 F329 V344 Y345 L364 Y372 W373 L374L317-I331 HydrophobicContact CD2-CD1 4.3Å; W319-I331 HydrophobicContact CD2-CD1 4.13Å; W319-I331 HydrophobicContact CE3-CD1 3.8Å; W319-I331 HydrophobicContact CH2-CD1 3.38Å; W319-I331 HydrophobicContact CZ2-CD1 3.67Å; W319-I331 HydrophobicContact CZ3-CD1 3.44Å; W319-I331 VanDerWaalsContact CZ3-CD1 3.44Å; F329-I331 HydrophobicContact CE1-CD1 4.42Å; F329-I331 HydrophobicContact CE1-CG1 4.2Å; F329-I331 HydrophobicContact CZ-CD1 4.13Å; F329-I331 HydrophobicContact CZ-CG1 3.9Å; I331-V344 HydrophobicContact CB-CG2 4.04Å; I331-V344 HydrophobicContact CG2-CG2 3.73Å; I331-V344 VanDerWaalsContact O-CG2 3.23Å; I331-V344 WeakPolarHBondContact O-CG2 3.38Å; I331-V344 PolarHBondContact O-N 2.9Å; I331-Y345 HydrophobicContact CD1-CG 4.4Å; I331-Y345 HydrophobicContact CG1-CG 4.28Å; I331-Y345 PolarHBondContact N-O 3.29Å; I331-Y345 PolarHBondContact O-N 3.04Å; I331-L364 HydrophobicContact CD1-CD2 4.41Å; I331-L364 HydrophobicContact CG2-CD2 4.27Å; I331-Y372 HydrophobicContact CG2-CD1 4.35Å; I331-W373 WeakPolarHBondContact CA-O 3.1Å; I331-L374 HydrophobicContact CD1-CG 4.26Å; I331-L374 HydrophobicContact CG1-CG 4.23Å
332T97.4Very high94.5Very high5 Ų548.3 Ų48.33%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-111.8150.9171.156.80000109.8I341 T342 L343 Y372 W373 E375T332-I341 HydrophobicContact CG2-CG2 4.37Å; T332-T342 CarbonylContact C-O 3.56Å; T332-T342 WeakPolarHBondContact CA-O 3.45Å; T332-T342 WeakPolarHBondContact CB-O 3.4Å; T332-L343 HydrophobicContact CG2-CD1 3.86Å; T332-Y372 CarbonylContact O-C 3.57Å; T332-Y372 WeakPolarHBondContact O-CA 3.13Å; T332-W373 PolarHBondContact N-O 3.34Å; T332-W373 PolarHBondContact O-N 2.69Å; T332-E375 PolarHBondContact OG1-OE1 2.85Å
333R96.7Very high94.5Very high82 Ų8248.6 Ų48.631%0.30926%0.259SS..EExtended strand (participates in β ladder)trans-114143.816873.1177.8169.6177.6-1.4110.2I341 T342 V344 F370 E371 Y372R333-I341 CarbonylContact O-C 3.54Å; R333-I341 WeakPolarHBondContact O-CA 3.32Å; R333-T342 WeakPolarHBondContact CG-OG1 3.37Å; R333-T342 PolarHBondContact N-O 3.38Å; R333-T342 PolarHBondContact NE-OG1 2.83Å; R333-T342 VanDerWaalsContact NE-OG1 3.07Å; R333-T342 PolarHBondContact O-N 3.15Å; R333-V344 HydrophobicContact CB-CG1 4.17Å; R333-V344 HydrophobicContact CB-CG2 4.43Å; R333-V344 HydrophobicContact CG-CG1 3.62Å; R333-F370 HydrophobicContact CB-CB 4.12Å; R333-F370 HydrophobicContact CB-CD1 4.39Å; R333-F370 HydrophobicContact CB-CG 4.47Å; R333-F370 HydrophobicContact CG-CD1 3.99Å; R333-F370 HydrophobicContact CG-CG 4.42Å; R333-E371 CarbonylContact C-O 3.55Å; R333-E371 VanDerWaalsContact CA-O 3.24Å; R333-E371 WeakPolarHBondContact CA-O 3.18Å; R333-Y372 HydrophobicContact CB-CD1 3.84Å; R333-Y372 HydrophobicContact CB-CE1 3.74Å; R333-Y372 HydrophobicContact CB-CG 4.4Å
334K97.2Very high94.5Very high57 Ų5749.6 Ų49.625%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-112.4125.2172-173.1-175.6178.8-153.50108.4D339 N340 I341 F370 E371K334-D339 WeakPolarHBondContact CE-OD1 3.3Å; K334-D339 IonicContact NZ-OD1 3.79Å; K334-D339 PolarHBondContact NZ-OD1 3.05Å; K334-N340 WeakPolarHBondContact CA-O 3.27Å; K334-I341 HydrophobicContact CB-CG1 4.19Å; K334-I341 HydrophobicContact CD-CG1 4.43Å; K334-I341 HydrophobicContact CG-CG1 3.94Å; K334-F370 CarbonylContact O-C 3.45Å; K334-F370 VanDerWaalsContact O-CA 3.3Å; K334-F370 WeakPolarHBondContact O-CA 3.46Å; K334-E371 HydrophobicContact CB-CB 4.49Å; K334-E371 PolarHBondContact N-O 2.82Å; K334-E371 PolarHBondContact O-N 3.08Å
335S95.5Very high94.6Very high10 Ų1047.9 Ų47.97%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-69.2135.7174176.50000110.7T337 N338 D339 N340S335-T337 VanDerWaalsContact C-N 3.27Å; S335-T337 PolarHBondContact O-N 2.68Å; S335-T337 PolarHBondContact OG-N 3.01Å; S335-T337 PolarHBondContact OG-OG1 3.06Å; S335-T337 VanDerWaalsContact OG-OG1 3.06Å; S335-N338 WeakPolarHBondContact CB-OD1 3.13Å; S335-N338 PolarHBondContact OG-OD1 3.49Å; S335-D339 WeakPolarHBondContact O-CA 3.46Å; S335-D339 PolarHBondContact O-N 3.31Å; S335-N340 PolarHBondContact N-O 3.31Å
336L92.5Very high94.7Very high96 Ų9648 Ų4850%0.50325%0.252SS..THydrogen-bonded Turntrans-74.4-15.1176-67.3175.3000113.6G368 E369 E371L336-G368 WeakPolarHBondContact CD1-O 3.41Å; L336-E369 WeakPolarHBondContact CB-O 3.47Å; L336-E369 WeakPolarHBondContact CG-O 3.27Å; L336-E369 PolarHBondContact N-O 3.34Å; L336-E369 VanDerWaalsContact N-O 3.14Å; L336-E371 HydrophobicContact CD2-CG 3.43Å; L336-E371 VanDerWaalsContact CD2-CG 3.43Å; L336-E371 HydrophobicContact CG-CG 4.24Å
337T92.2Very high94.9Very high128 Ų12848.6 Ų48.679%0.78525%0.251SS*.THydrogen-bonded Turntrans-100.4-37.8-173.856.30000113.7S335S335-T337 VanDerWaalsContact C-N 3.27Å; S335-T337 PolarHBondContact O-N 2.68Å; S335-T337 PolarHBondContact OG-N 3.01Å; S335-T337 PolarHBondContact OG-OG1 3.06Å; S335-T337 VanDerWaalsContact OG-OG1 3.06Å
338N92.2Very high94.9Very high87 Ų8748.6 Ų48.647%0.46525%0.251SS..THydrogen-bonded Turntrans-121.87.1-177.666.917.9000113.9S335 N340S335-N338 WeakPolarHBondContact CB-OD1 3.13Å; S335-N338 PolarHBondContact OG-OD1 3.49Å; N338-N340 PolarHBondContact ND2-ND2 2.87Å; N338-N340 VanDerWaalsContact ND2-ND2 3.11Å; N338-N340 PolarHBondContact O-N 3.49Å; N338-N340 WeakPolarHBondContact OD1-CB 3.46Å; N338-N340 PolarHBondContact OD1-N 2.97Å; N338-N340 PolarHBondContact OD1-ND2 2.88Å
339D90.7Very high94.8Very high103 Ų10347.2 Ų47.255%0.55125%0.246SC*.  trans57.69.2-178.4-76.6-43000115.8K334 S335 I341K334-D339 WeakPolarHBondContact CE-OD1 3.3Å; K334-D339 IonicContact NZ-OD1 3.79Å; K334-D339 PolarHBondContact NZ-OD1 3.05Å; S335-D339 WeakPolarHBondContact O-CA 3.46Å; S335-D339 PolarHBondContact O-N 3.31Å; D339-I341 PolarHBondContact O-N 3.27Å
340N93.9Very high94.7Very high95 Ų9547.2 Ų47.251%0.50825%0.246SC..  trans-69.3131.4-178.8-73.8-35.2000111.4K334 S335 N338K334-N340 WeakPolarHBondContact CA-O 3.27Å; S335-N340 PolarHBondContact N-O 3.31Å; N338-N340 PolarHBondContact ND2-ND2 2.87Å; N338-N340 VanDerWaalsContact ND2-ND2 3.11Å; N338-N340 PolarHBondContact O-N 3.49Å; N338-N340 WeakPolarHBondContact OD1-CB 3.46Å; N338-N340 PolarHBondContact OD1-N 2.97Å; N338-N340 PolarHBondContact OD1-ND2 2.88Å
341I94.1Very high94.6Very high116 Ų11647.1 Ų47.160%0.59525%0.246SC*.EExtended strand (participates in β ladder)trans-99.3126.3176.8-58.3173.6000109.1T332 R333 K334 D339T332-I341 HydrophobicContact CG2-CG2 4.37Å; R333-I341 CarbonylContact O-C 3.54Å; R333-I341 WeakPolarHBondContact O-CA 3.32Å; K334-I341 HydrophobicContact CB-CG1 4.19Å; K334-I341 HydrophobicContact CD-CG1 4.43Å; K334-I341 HydrophobicContact CG-CG1 3.94Å; D339-I341 PolarHBondContact O-N 3.27Å
342T93.9Very high94.4Very high58 Ų5847.3 Ų47.336%0.35625%0.246SC..EExtended strand (participates in β ladder)trans-128.8143178.553.10000110.9T332 R333T332-T342 CarbonylContact C-O 3.56Å; T332-T342 WeakPolarHBondContact CA-O 3.45Å; T332-T342 WeakPolarHBondContact CB-O 3.4Å; R333-T342 WeakPolarHBondContact CG-OG1 3.37Å; R333-T342 PolarHBondContact N-O 3.38Å; R333-T342 PolarHBondContact NE-OG1 2.83Å; R333-T342 VanDerWaalsContact NE-OG1 3.07Å; R333-T342 PolarHBondContact O-N 3.15Å
343L95.2Very high94.2Very high33 Ų3348.1 Ų48.117%0.17325%0.252CS..EExtended strand (participates in β ladder)trans-73133.4171.7-167.864.5000108.8E68 F72 T332 Y345 R347E68-L343 HydrophobicContact CB-CD2 4.42Å; F72-L343 HydrophobicContact CE2-CB 4.33Å; F72-L343 HydrophobicContact CE2-CD2 3.72Å; F72-L343 HydrophobicContact CE2-CG 3.87Å; F72-L343 HydrophobicContact CZ-CB 4.26Å; F72-L343 HydrophobicContact CZ-CD2 4.31Å; F72-L343 HydrophobicContact CZ-CG 3.95Å; T332-L343 HydrophobicContact CG2-CD1 3.86Å; L343-Y345 WeakPolarHBondContact CD1-O 2.77Å; L343-Y345 WeakPolarHBondContact CG-O 3.27Å; L343-R347 HydrophobicContact CD1-CG 4.21Å; L343-R347 HydrophobicContact CD2-CG 4.3Å
344V95.2Very high94Very high26 Ų2646.1 Ų46.116%0.15825%0.247CC..EExtended strand (participates in β ladder)trans-126.6-9.8178-66.80000113.4F72 I331 R333 L364 Y372F72-V344 VanDerWaalsContact CE1-C 3.44Å; F72-V344 WeakPolarHBondContact CE1-O 3.5Å; I331-V344 HydrophobicContact CB-CG2 4.04Å; I331-V344 HydrophobicContact CG2-CG2 3.73Å; I331-V344 VanDerWaalsContact O-CG2 3.23Å; I331-V344 WeakPolarHBondContact O-CG2 3.38Å; I331-V344 PolarHBondContact O-N 2.9Å; R333-V344 HydrophobicContact CB-CG1 4.17Å; R333-V344 HydrophobicContact CB-CG2 4.43Å; R333-V344 HydrophobicContact CG-CG1 3.62Å; V344-L364 HydrophobicContact CB-CD2 4.24Å; V344-L364 HydrophobicContact CG2-CD2 3.74Å; V344-Y372 HydrophobicContact CG2-CD1 4.23Å; V344-Y372 HydrophobicContact CG2-CE1 4.3Å
345Y94.8Very high93.7Very high13 Ų1344.1 Ų44.15%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-137.2134.7167.2-170-89.1000108.8K134 W319 F329 I331 L343 L348 D362K134-Y345 VanDerWaalsContact CE-OH 3.3Å; K134-Y345 WeakPolarHBondContact CE-OH 3.32Å; K134-Y345 PolarHBondContact NZ-OH 3.08Å; W319-Y345 AromaticContact CH2-CD2 3.85Å; W319-Y345 HydrophobicContact CH2-CD2 3.85Å; W319-Y345 AromaticContact CH2-CE2 3.92Å; W319-Y345 HydrophobicContact CH2-CE2 3.92Å; W319-Y345 AromaticContact CZ2-CD2 3.79Å; W319-Y345 HydrophobicContact CZ2-CD2 3.79Å; W319-Y345 HydrophobicContact CZ2-CE1 4.48Å; W319-Y345 AromaticContact CZ2-CE2 3.53Å; W319-Y345 HydrophobicContact CZ2-CE2 3.53Å; W319-Y345 HydrophobicContact CZ2-CG 4.35Å; W319-Y345 AromaticContact CZ2-CZ 3.88Å; F329-Y345 HydrophobicContact CD1-CD1 4.07Å; F329-Y345 AromaticContact CD1-CE1 3.82Å; F329-Y345 HydrophobicContact CD1-CE1 3.82Å; F329-Y345 AromaticContact CE1-CD1 3.98Å; F329-Y345 HydrophobicContact CE1-CD1 3.98Å; F329-Y345 AromaticContact CE1-CE1 3.87Å; F329-Y345 HydrophobicContact CE1-CE1 3.87Å; I331-Y345 HydrophobicContact CD1-CG 4.4Å; I331-Y345 HydrophobicContact CG1-CG 4.28Å; I331-Y345 PolarHBondContact N-O 3.29Å; I331-Y345 PolarHBondContact O-N 3.04Å; L343-Y345 WeakPolarHBondContact CD1-O 2.77Å; L343-Y345 WeakPolarHBondContact CG-O 3.27Å; Y345-L348 HydrophobicContact CE1-CD1 4.23Å; Y345-D362 VanDerWaalsContact CE2-OD2 3.23Å; Y345-D362 WeakPolarHBondContact CE2-OD2 3.37Å; Y345-D362 PolarHBondContact OH-OD2 2.94Å
346P94.1Very high93.5Very high6 Ų648.1 Ų48.14%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-61.2151.5-171.524.9-34.5000112.4N69 F72 F73 F329 L348N69-P346 WeakPolarHBondContact OD1-CA 3.32Å; N69-P346 WeakPolarHBondContact OD1-CB 3.36Å; F72-P346 HydrophobicContact CB-CB 4.01Å; F72-P346 HydrophobicContact CB-CG 4.06Å; F72-P346 HydrophobicContact CD2-CB 3.92Å; F72-P346 HydrophobicContact CG-CB 3.94Å; F72-P346 HydrophobicContact CG-CG 4.16Å; F73-P346 HydrophobicContact CE1-CG 4.21Å; F73-P346 HydrophobicContact CE2-CB 3.8Å; F73-P346 HydrophobicContact CE2-CG 4.35Å; F73-P346 HydrophobicContact CZ-CB 3.49Å; F73-P346 VanDerWaalsContact CZ-CB 3.49Å; F73-P346 HydrophobicContact CZ-CG 3.59Å; F329-P346 VanDerWaalsContact O-O 3.1Å; P346-L348 HydrophobicContact CB-CD2 4.31Å; P346-L348 HydrophobicContact CB-CG 4.25Å; P346-L348 HydrophobicContact CG-CD1 4.14Å; P346-L348 HydrophobicContact CG-CD2 4.43Å; P346-L348 HydrophobicContact CG-CG 4.1Å; P346-L348 PolarHBondContact O-N 2.51Å
347R94.5Very high93.3Very high51 Ų5150.1 Ų50.119%0.19227%0.266CS..EExtended strand (participates in β ladder)trans-77.498.8173.6-75.4173.6174.1113.312.6109.3E68 N69 F329 L343 E375E68-R347 IonicContact OE2-CZ 2.78Å; E68-R347 IonicContact OE2-NH1 3.62Å; E68-R347 PolarHBondContact OE2-NH1 2.81Å; N69-R347 PolarHBondContact OD1-N 3.07Å; F329-R347 WeakPolarHBondContact O-CA 3.32Å; L343-R347 HydrophobicContact CD1-CG 4.21Å; L343-R347 HydrophobicContact CD2-CG 4.3Å; R347-E375 IonicContact NH2-OE2 2.75Å
348L94.5Very high93.1Very high0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-112.2134.2-177.7-62.8-178.6000110.5F73 V133 K134 K328 F329 Y345 P346 I350F73-L348 HydrophobicContact CZ-CD2 3.85Å; V133-L348 HydrophobicContact CG1-CD2 3.91Å; K134-L348 HydrophobicContact CD-CD1 4.3Å; K134-L348 HydrophobicContact CG-CD1 3.7Å; K328-L348 CarbonylContact C-O 3.47Å; K328-L348 WeakPolarHBondContact CA-O 3.09Å; F329-L348 PolarHBondContact N-O 3.42Å; F329-L348 PolarHBondContact O-N 2.91Å; Y345-L348 HydrophobicContact CE1-CD1 4.23Å; P346-L348 HydrophobicContact CB-CD2 4.31Å; P346-L348 HydrophobicContact CB-CG 4.25Å; P346-L348 HydrophobicContact CG-CD1 4.14Å; P346-L348 HydrophobicContact CG-CD2 4.43Å; P346-L348 HydrophobicContact CG-CG 4.1Å; P346-L348 PolarHBondContact O-N 2.51Å; L348-I350 HydrophobicContact CB-CD1 4.04Å; L348-I350 HydrophobicContact CB-CG1 3.82Å
349I94.2Very high93.2Very high23 Ų2340.3 Ų40.312%0.11821%0.209CC..EExtended strand (participates in β ladder)trans-77.6119.5162-53.3174.3000107.2V133 T187 L190 N326 L327 V379V133-I349 WeakPolarHBondContact CG2-O 3.34Å; T187-I349 HydrophobicContact CG2-CB 4.33Å; T187-I349 HydrophobicContact CG2-CG2 3.94Å; T187-I349 WeakPolarHBondContact CG2-O 3.32Å; L190-I349 HydrophobicContact CD2-CD1 3.78Å; L190-I349 HydrophobicContact CD2-CG2 4.3Å; L190-I349 HydrophobicContact CG-CD1 3.94Å; N326-I349 HydrophobicContact CB-CG2 4.15Å; L327-I349 CarbonylContact O-C 3.56Å; L327-I349 WeakPolarHBondContact O-CA 3.18Å; I349-V379 HydrophobicContact CG2-CG2 4.13Å
350I95.4Very high93.4Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-123.2142.1-174.1-61.1177000108.9F321 L327 F329 L348 E360F321-I350 HydrophobicContact CE2-CG2 4.26Å; F321-I350 HydrophobicContact CZ-CD1 4.05Å; F321-I350 HydrophobicContact CZ-CG2 4.28Å; L327-I350 PolarHBondContact N-O 3.32Å; L327-I350 PolarHBondContact O-N 3.27Å; F329-I350 HydrophobicContact CB-CD1 3.89Å; F329-I350 HydrophobicContact CD1-CD1 4.13Å; F329-I350 HydrophobicContact CG-CD1 4.4Å; L348-I350 HydrophobicContact CB-CD1 4.04Å; L348-I350 HydrophobicContact CB-CG1 3.82Å; I350-E360 HydrophobicContact CD1-CG 4.31Å; I350-E360 HydrophobicContact CG2-CG 4.44Å
351C93.8Very high93.4Very high1 Ų135.5 Ų35.51%0.00718%0.181CC..  trans-127.6148167.578.50000109.2T187 N326T187-C351 HydrophobicContact CG2-CB 4.42Å; T187-C351 PolarHBondContact OG1-SG 2.94Å; T187-C351 VanDerWaalsContact OG1-SG 3.34Å; N326-C351 WeakPolarHBondContact OD1-CB 3.33Å
352T95.2Very high93.4Very high3 Ų332.4 Ų32.42%0.01817%0.165CC..  trans-124.178.7174.157.50000109F322 T323 L354 G355 E360F322-T352 WeakPolarHBondContact CA-OG1 3.14Å; F322-T352 HydrophobicContact CB-CG2 4.31Å; F322-T352 WeakPolarHBondContact CB-OG1 3.35Å; T323-T352 PolarHBondContact N-OG1 3.09Å; T323-T352 PolarHBondContact O-OG1 2.85Å; T323-T352 VanDerWaalsContact O-OG1 3.05Å; T352-L354 PolarHBondContact O-N 2.82Å; T352-G355 WeakPolarHBondContact O-CA 3.34Å; T352-G355 PolarHBondContact O-N 2.89Å; T352-E360 HydrophobicContact CG2-CB 4.2Å
353P92.4Very high93.4Very high23 Ų2333.8 Ų33.815%0.14917%0.168CC..THydrogen-bonded Turntrans-68.5-20.4-167.130.3-39.7000113.9P124 P180 R183 M184P124-P353 HydrophobicContact CB-CG 4.39Å; P180-P353 HydrophobicContact CB-CB 3.71Å; P180-P353 HydrophobicContact CB-CG 3.78Å; P180-P353 HydrophobicContact CG-CB 4.36Å; P180-P353 WeakPolarHBondContact O-CG 3.21Å; R183-P353 HydrophobicContact CB-CB 4.23Å; M184-P353 HydrophobicContact CG-CG 3.8Å; M184-P353 HydrophobicContact SD-CG 3.97Å
354L92.3Very high93.4Very high39 Ų3934 Ų3420%0.20417%0.169CC..THydrogen-bonded Turntrans-96.17.8172.8-59.1-176000112.8P124 K125 P180 T352 K356 Q357P124-L354 HydrophobicContact CB-CD1 3.87Å; P124-L354 HydrophobicContact CB-CG 4.07Å; P124-L354 WeakPolarHBondContact O-CD1 3.4Å; K125-L354 HydrophobicContact CB-CD1 4.48Å; K125-L354 HydrophobicContact CG-CD1 3.63Å; P180-L354 HydrophobicContact CB-CD2 3.88Å; P180-L354 HydrophobicContact CB-CG 4.29Å; P180-L354 HydrophobicContact CG-CD2 3.59Å; P180-L354 HydrophobicContact CG-CG 4.5Å; T352-L354 PolarHBondContact O-N 2.82Å; L354-K356 PolarHBondContact O-N 2.87Å; L354-Q357 HydrophobicContact CB-CB 4.09Å; L354-Q357 WeakPolarHBondContact O-CB 3.08Å; L354-Q357 PolarHBondContact O-N 2.85Å
355G91.9Very high93.5Very high16 Ų1636.3 Ų36.317%0.16518%0.18CC..G310 helixtrans50.8-127.3-179.800000112.3T352 Q357 S358 P359T352-G355 WeakPolarHBondContact O-CA 3.34Å; T352-G355 PolarHBondContact O-N 2.89Å; G355-Q357 PolarHBondContact O-N 2.77Å; G355-Q357 VanDerWaalsContact O-N 3.09Å; G355-S358 CarbonylContact O-C 3.53Å; G355-S358 PolarHBondContact O-N 3.05Å; G355-P359 VanDerWaalsContact O-N 3.11Å
356K89.7Confident93.6Very high94 Ų9435.8 Ų35.841%0.40918%0.178SC..G310 helixtrans-58.4-21.2179.5-173.8176.4174.5-178.30114.8Y294 F322 L354 P359Y294-K356 HydrophobicContact CE2-CD 4.49Å; F322-K356 HydrophobicContact CD1-CB 4.3Å; F322-K356 HydrophobicContact CE1-CB 3.98Å; F322-K356 HydrophobicContact CE1-CG 4.3Å; F322-K356 HydrophobicContact CE2-CB 4.34Å; F322-K356 HydrophobicContact CZ-CB 4Å; L354-K356 PolarHBondContact O-N 2.87Å; K356-P359 WeakPolarHBondContact O-CD 3.47Å
357Q88.4Confident93.6Very high138 Ų13837.9 Ų37.965%0.64519%0.189SC*.G310 helixtrans-75.2-30.8177-59.3178.4300111.8R288 L354 G355R288-Q357 PolarHBondContact NH1-O 2.73Å; L354-Q357 HydrophobicContact CB-CB 4.09Å; L354-Q357 WeakPolarHBondContact O-CB 3.08Å; L354-Q357 PolarHBondContact O-N 2.85Å; G355-Q357 PolarHBondContact O-N 2.77Å; G355-Q357 VanDerWaalsContact O-N 3.09Å
358S89.6Confident93.6Very high7 Ų736.5 Ų36.55%0.04919%0.19CC..SBendtrans-137.368.4175.8-154.20000111.5P124 G355P124-S358 WeakPolarHBondContact O-CB 3.26Å; P124-S358 PolarHBondContact O-OG 3.1Å; G355-S358 CarbonylContact O-C 3.53Å; G355-S358 PolarHBondContact O-N 3.05Å
359P93.5Very high93.6Very high1 Ų142.7 Ų42.71%0.00622%0.219CC..  trans-70.2161175.131.9-35.5000110.3I320 F321 F322 G355 K356I320-P359 HydrophobicContact CD1-CB 4.17Å; I320-P359 HydrophobicContact CD1-CG 3.7Å; I320-P359 HydrophobicContact CG1-CB 3.81Å; I320-P359 HydrophobicContact CG1-CG 3.91Å; F321-P359 CarbonylContact O-C 3.57Å; F321-P359 WeakPolarHBondContact O-CA 3.44Å; F321-P359 VanDerWaalsContact O-CB 3.26Å; F321-P359 WeakPolarHBondContact O-CB 3.43Å; F322-P359 HydrophobicContact CB-CB 4.19Å; F322-P359 HydrophobicContact CD1-CB 4.37Å; G355-P359 VanDerWaalsContact O-N 3.11Å; K356-P359 WeakPolarHBondContact O-CD 3.47Å
360E94.7Very high93.8Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-75.9133.4164.5-170.258.1-130.500108.9S128 G129 S130 I320 F321 I350 T352S128-E360 WeakPolarHBondContact CB-OE2 3.22Å; S128-E360 PolarHBondContact OG-OE1 2.89Å; S128-E360 PolarHBondContact OG-OE2 3.33Å; G129-E360 PolarHBondContact N-OE2 3.22Å; S130-E360 WeakPolarHBondContact CB-OE1 3.38Å; S130-E360 WeakPolarHBondContact CB-OE2 3.3Å; S130-E360 PolarHBondContact N-OE2 3.48Å; S130-E360 VanDerWaalsContact OG-CD 3.22Å; S130-E360 PolarHBondContact OG-OE1 3.39Å; S130-E360 PolarHBondContact OG-OE2 2.95Å; I320-E360 CarbonylContact C-O 3.59Å; I320-E360 WeakPolarHBondContact CA-O 3.47Å; F321-E360 HydrophobicContact CD1-CB 4.11Å; F321-E360 HydrophobicContact CD1-CG 4.37Å; F321-E360 HydrophobicContact CD2-CB 4.14Å; F321-E360 HydrophobicContact CE1-CB 3.77Å; F321-E360 HydrophobicContact CE1-CG 3.63Å; F321-E360 HydrophobicContact CE2-CB 3.77Å; F321-E360 HydrophobicContact CE2-CG 4.25Å; F321-E360 HydrophobicContact CG-CB 4.29Å; F321-E360 HydrophobicContact CZ-CB 3.58Å; F321-E360 HydrophobicContact CZ-CG 3.56Å; F321-E360 PolarHBondContact N-O 3.46Å; F321-E360 PolarHBondContact O-N 3.41Å; I350-E360 HydrophobicContact CD1-CG 4.31Å; I350-E360 HydrophobicContact CG2-CG 4.44Å; T352-E360 HydrophobicContact CG2-CB 4.2Å
361E93.3Very high93.8Very high98 Ų9844.8 Ų44.846%0.45823%0.228SC..EExtended strand (participates in β ladder)trans-147.3135.6176.768.8-167.5160.400109.6R288 W319 I320R288-E361 IonicContact CZ-OE1 3.2Å; R288-E361 IonicContact NH2-OE1 3.61Å; R288-E361 PolarHBondContact NH2-OE1 3.17Å; R288-E361 IonicContact NH2-OE2 2.76Å; W319-E361 WeakPolarHBondContact O-CA 3.23Å; I320-E361 HydrophobicContact CB-CB 4.28Å; I320-E361 HydrophobicContact CG1-CB 4.18Å
362D94.4Very high94Very high50 Ų5045 Ų4527%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-162.8171.7-179.1-153.7-14.3000108.8K134 W319 Y345K134-D362 IonicContact NZ-OD2 3.68Å; K134-D362 PolarHBondContact NZ-OD2 2.87Å; W319-D362 HydrophobicContact CD2-CB 4.5Å; W319-D362 HydrophobicContact CH2-CB 4.04Å; W319-D362 HydrophobicContact CZ2-CB 3.44Å; W319-D362 VanDerWaalsContact CZ2-CB 3.44Å; W319-D362 PolarHBondContact N-O 2.85Å; W319-D362 VanDerWaalsContact N-O 3.15Å; W319-D362 PolarHBondContact O-N 2.85Å; Y345-D362 VanDerWaalsContact CE2-OD2 3.23Å; Y345-D362 WeakPolarHBondContact CE2-OD2 3.37Å; Y345-D362 PolarHBondContact OH-OD2 2.94Å
363E94.8Very high94.2Very high88 Ų8848.7 Ų48.741%0.41124%0.242SC..EExtended strand (participates in β ladder)trans-139.1153.5-17868.9-179-162.800112.7M316 L317 R318M316-E363 HydrophobicContact CG-CB 4.05Å; M316-E363 HydrophobicContact CG-CG 4.48Å; M316-E363 HydrophobicContact SD-CB 3.82Å; M316-E363 HydrophobicContact SD-CG 3.91Å; L317-E363 CarbonylContact O-C 3.56Å; L317-E363 VanDerWaalsContact O-CA 3.28Å; L317-E363 WeakPolarHBondContact O-CA 3.14Å; R318-E363 HydrophobicContact CG-CB 3.87Å; R318-E363 IonicContact CZ-OE2 2.77Å; R318-E363 IonicContact NE-OE2 3.5Å; R318-E363 PolarHBondContact NE-OE2 2.82Å; R318-E363 IonicContact NH2-OE2 2.6Å; R318-E363 PolarHBondContact NH2-OE2 2.8Å
364L95.4Very high94.4Very high37 Ų3747.7 Ų47.719%0.19424%0.236CC..EExtended strand (participates in β ladder)trans-142.5131.5-179-177.166.6000110M316 L317 W319 I331 V344 V366 Y372M316-L364 VanDerWaalsContact SD-O 3.36Å; L317-L364 PolarHBondContact N-O 3.05Å; L317-L364 PolarHBondContact O-N 3.09Å; W319-L364 HydrophobicContact CH2-CB 3.97Å; W319-L364 HydrophobicContact CZ3-CB 3.65Å; I331-L364 HydrophobicContact CD1-CD2 4.41Å; I331-L364 HydrophobicContact CG2-CD2 4.27Å; V344-L364 HydrophobicContact CB-CD2 4.24Å; V344-L364 HydrophobicContact CG2-CD2 3.74Å; L364-V366 HydrophobicContact CD2-CG1 4.26Å; L364-V366 HydrophobicContact CG-CG1 4.22Å; L364-V366 PolarHBondContact O-N 3.05Å; L364-Y372 HydrophobicContact CD2-CD1 4.47Å; L364-Y372 HydrophobicContact CD2-CE1 4.43Å
365L96.6Very high94.7Very high74 Ų7446.8 Ų46.839%0.38723%0.23SC..EExtended strand (participates in β ladder)trans-71.3123.5170.7-171.966.8000109.5R314 M316 L397R314-L365 HydrophobicContact CG-CD1 4.31Å; M316-L365 HydrophobicContact CE-CD1 4.34Å; L365-L397 HydrophobicContact CD1-CD1 4.23Å; L365-L397 HydrophobicContact CD1-CD2 3.45Å; L365-L397 VanDerWaalsContact CD1-CD2 3.45Å; L365-L397 HydrophobicContact CD1-CG 4.42Å
366V97.1Very high95Very high2 Ų246.1 Ų46.11%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-123.9158-175.4-62.30000111.6P311 R314 C315 L317 L364 Y372 L394P311-V366 HydrophobicContact CB-CG2 3.97Å; P311-V366 HydrophobicContact CG-CB 4.31Å; P311-V366 HydrophobicContact CG-CG2 4.11Å; R314-V366 CarbonylContact C-O 3.51Å; R314-V366 VanDerWaalsContact CA-O 3.26Å; R314-V366 WeakPolarHBondContact CA-O 3.41Å; C315-V366 PolarHBondContact N-O 2.91Å; C315-V366 VanDerWaalsContact O-CG2 3.31Å; C315-V366 WeakPolarHBondContact O-CG2 3.38Å; C315-V366 PolarHBondContact O-N 2.86Å; C315-V366 VanDerWaalsContact SG-CG2 3.57Å; L317-V366 HydrophobicContact CB-CB 4.47Å; L317-V366 HydrophobicContact CB-CG1 3.58Å; L317-V366 HydrophobicContact CB-CG2 4.01Å; L317-V366 HydrophobicContact CD2-CG1 4.14Å; L364-V366 HydrophobicContact CD2-CG1 4.26Å; L364-V366 HydrophobicContact CG-CG1 4.22Å; L364-V366 PolarHBondContact O-N 3.05Å; V366-Y372 WeakPolarHBondContact CA-OH 3.14Å; V366-Y372 HydrophobicContact CB-CD1 4.4Å; V366-Y372 HydrophobicContact CB-CD2 4Å; V366-Y372 HydrophobicContact CB-CE1 3.94Å; V366-Y372 HydrophobicContact CB-CE2 3.52Å; V366-Y372 HydrophobicContact CB-CG 4.42Å; V366-Y372 VanDerWaalsContact CB-CZ 3.47Å; V366-Y372 HydrophobicContact CG1-CD1 3.68Å; V366-Y372 HydrophobicContact CG1-CD2 4.07Å; V366-Y372 HydrophobicContact CG1-CE1 3.47Å; V366-Y372 VanDerWaalsContact CG1-CE1 3.47Å; V366-Y372 HydrophobicContact CG1-CE2 3.9Å; V366-Y372 HydrophobicContact CG1-CG 3.97Å; V366-L394 HydrophobicContact CG2-CD2 3.82Å
367D95Very high95.3Very high50 Ų5043.7 Ų43.727%0.26721%0.213SC..  trans-131.4145.6-174.9-165.5-76.2000112.2P311 E369 F370 Y372P311-D367 WeakPolarHBondContact CG-O 3.34Å; D367-E369 PolarHBondContact O-N 2.89Å; D367-E369 WeakPolarHBondContact OD1-CG 3.27Å; D367-E369 PolarHBondContact OD1-N 3.15Å; D367-F370 HydrophobicContact CB-CD2 4.21Å; D367-F370 PolarHBondContact O-N 3.24Å; D367-Y372 PolarHBondContact N-OH 2.69Å; D367-Y372 WeakPolarHBondContact O-CE2 3.41Å
368G94.3Very high95.6Very high22 Ų2237.1 Ų37.123%0.22718%0.183CC..THydrogen-bonded Turntrans-66.5-12.4-176.400000115.4P311 L336 F370P311-G368 VanDerWaalsContact O-CA 3.25Å; P311-G368 WeakPolarHBondContact O-CA 3.23Å; L336-G368 WeakPolarHBondContact CD1-O 3.41Å; G368-F370 PolarHBondContact O-N 2.92Å
369E94.6Very high95.5Very high131 Ų13138.5 Ų38.561%0.61219%0.191SC*.THydrogen-bonded Turntrans-73.9-5.4173.3-65.5-176.416700113.9L336 D367L336-E369 WeakPolarHBondContact CB-O 3.47Å; L336-E369 WeakPolarHBondContact CG-O 3.27Å; L336-E369 PolarHBondContact N-O 3.34Å; L336-E369 VanDerWaalsContact N-O 3.14Å; D367-E369 PolarHBondContact O-N 2.89Å; D367-E369 WeakPolarHBondContact OD1-CG 3.27Å; D367-E369 PolarHBondContact OD1-N 3.15Å
370F97.1Very high94.9Very high35 Ų3540.3 Ų40.315%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-133.1148.7-173.9-55.2-90.8000113.1P311 R333 K334 D367 G368 Y372P311-F370 WeakPolarHBondContact CD-O 3.35Å; R333-F370 HydrophobicContact CB-CB 4.12Å; R333-F370 HydrophobicContact CB-CD1 4.39Å; R333-F370 HydrophobicContact CB-CG 4.47Å; R333-F370 HydrophobicContact CG-CD1 3.99Å; R333-F370 HydrophobicContact CG-CG 4.42Å; K334-F370 CarbonylContact O-C 3.45Å; K334-F370 VanDerWaalsContact O-CA 3.3Å; K334-F370 WeakPolarHBondContact O-CA 3.46Å; D367-F370 HydrophobicContact CB-CD2 4.21Å; D367-F370 PolarHBondContact O-N 3.24Å; G368-F370 PolarHBondContact O-N 2.92Å; F370-Y372 HydrophobicContact CB-CD2 4.34Å; F370-Y372 HydrophobicContact CB-CE2 3.65Å
371E96.6Very high93.8Very high31 Ų3151.1 Ų51.115%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-94.4131.5164.6-47.9-173.5146.500109.3K308 R333 K334 L336K308-E371 VanDerWaalsContact CE-OE1 3.26Å; K308-E371 WeakPolarHBondContact CE-OE1 2.92Å; K308-E371 WeakPolarHBondContact CE-OE2 3.32Å; K308-E371 IonicContact NZ-OE1 2.68Å; K308-E371 PolarHBondContact NZ-OE1 2.97Å; K308-E371 IonicContact NZ-OE2 3.46Å; K308-E371 PolarHBondContact NZ-OE2 3.29Å; R333-E371 CarbonylContact C-O 3.55Å; R333-E371 VanDerWaalsContact CA-O 3.24Å; R333-E371 WeakPolarHBondContact CA-O 3.18Å; K334-E371 HydrophobicContact CB-CB 4.49Å; K334-E371 PolarHBondContact N-O 2.82Å; K334-E371 PolarHBondContact O-N 3.08Å; L336-E371 HydrophobicContact CD2-CG 3.43Å; L336-E371 VanDerWaalsContact CD2-CG 3.43Å; L336-E371 HydrophobicContact CG-CG 4.24Å
372Y98.2Very high93Very high7 Ų749.3 Ų49.33%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-105.6139.7-179.5-66.7-99.8000110.5K308 M309 P311 I331 T332 R333 V344 L364 V366 D367 F370K308-Y372 CarbonylContact C-O 3.08Å; K308-Y372 WeakPolarHBondContact CA-O 3.26Å; M309-Y372 PolarHBondContact N-O 3.11Å; M309-Y372 PolarHBondContact O-N 3.33Å; P311-Y372 HydrophobicContact CG-CD2 3.9Å; P311-Y372 HydrophobicContact CG-CE2 3.79Å; I331-Y372 HydrophobicContact CG2-CD1 4.35Å; T332-Y372 CarbonylContact O-C 3.57Å; T332-Y372 WeakPolarHBondContact O-CA 3.13Å; R333-Y372 HydrophobicContact CB-CD1 3.84Å; R333-Y372 HydrophobicContact CB-CE1 3.74Å; R333-Y372 HydrophobicContact CB-CG 4.4Å; V344-Y372 HydrophobicContact CG2-CD1 4.23Å; V344-Y372 HydrophobicContact CG2-CE1 4.3Å; L364-Y372 HydrophobicContact CD2-CD1 4.47Å; L364-Y372 HydrophobicContact CD2-CE1 4.43Å; V366-Y372 WeakPolarHBondContact CA-OH 3.14Å; V366-Y372 HydrophobicContact CB-CD1 4.4Å; V366-Y372 HydrophobicContact CB-CD2 4Å; V366-Y372 HydrophobicContact CB-CE1 3.94Å; V366-Y372 HydrophobicContact CB-CE2 3.52Å; V366-Y372 HydrophobicContact CB-CG 4.42Å; V366-Y372 VanDerWaalsContact CB-CZ 3.47Å; V366-Y372 HydrophobicContact CG1-CD1 3.68Å; V366-Y372 HydrophobicContact CG1-CD2 4.07Å; V366-Y372 HydrophobicContact CG1-CE1 3.47Å; V366-Y372 VanDerWaalsContact CG1-CE1 3.47Å; V366-Y372 HydrophobicContact CG1-CE2 3.9Å; V366-Y372 HydrophobicContact CG1-CG 3.97Å; D367-Y372 PolarHBondContact N-OH 2.69Å; D367-Y372 WeakPolarHBondContact O-CE2 3.41Å; F370-Y372 HydrophobicContact CB-CD2 4.34Å; F370-Y372 HydrophobicContact CB-CE2 3.65Å
373W97.9Very high92.2Very high80 Ų8057 Ų5730%0.30327%0.27SS..EExtended strand (participates in β ladder)trans-125.9111.8-177.1-63.278.5000108.7I307 K308 I331 T332 E375I307-W373 WeakPolarHBondContact O-CA 3.34Å; K308-W373 HydrophobicContact CB-CD2 4.25Å; K308-W373 HydrophobicContact CB-CE3 4.02Å; K308-W373 HydrophobicContact CB-CH2 4.04Å; K308-W373 HydrophobicContact CB-CZ2 4.24Å; K308-W373 HydrophobicContact CB-CZ3 3.92Å; K308-W373 HydrophobicContact CD-CH2 3.82Å; K308-W373 HydrophobicContact CD-CZ2 3.62Å; K308-W373 HydrophobicContact CG-CD2 4.37Å; K308-W373 HydrophobicContact CG-CH2 4.16Å; K308-W373 HydrophobicContact CG-CZ2 3.9Å; K308-W373 HydrophobicContact CG-CZ3 4.47Å; I331-W373 WeakPolarHBondContact CA-O 3.1Å; T332-W373 PolarHBondContact N-O 3.34Å; T332-W373 PolarHBondContact O-N 2.69Å; W373-E375 HydrophobicContact CB-CG 4.47Å
374L98.1Very high91.8Very high1 Ų157.3 Ų57.31%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-83.3113.9171-68.873.1000107.3S306 I307 M309 L317 W319 F329 I331 F376 C392S306-L374 CarbonylContact C-O 3.55Å; S306-L374 VanDerWaalsContact CA-O 3.27Å; S306-L374 WeakPolarHBondContact CA-O 3.24Å; I307-L374 HydrophobicContact CB-CB 4.34Å; I307-L374 PolarHBondContact N-O 3.43Å; I307-L374 PolarHBondContact O-N 2.87Å; M309-L374 HydrophobicContact CG-CD1 3.56Å; L317-L374 HydrophobicContact CD1-CD1 4.45Å; L317-L374 HydrophobicContact CD2-CD1 3.9Å; W319-L374 HydrophobicContact CB-CD2 3.96Å; W319-L374 HydrophobicContact CG-CD2 4.38Å; F329-L374 HydrophobicContact CE2-CB 4.24Å; F329-L374 HydrophobicContact CZ-CD2 4.49Å; I331-L374 HydrophobicContact CD1-CG 4.26Å; I331-L374 HydrophobicContact CG1-CG 4.23Å; L374-F376 HydrophobicContact CB-CE2 3.91Å; L374-F376 HydrophobicContact CB-CZ 4.48Å; L374-C392 HydrophobicContact CD2-CB 3.99Å
375E97.7Very high91.6Very high20 Ų2058.5 Ų58.59%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-103.8126-171.6-55-171.9134.800110K304 F329 S330 T332 R347 W373K304-E375 VanDerWaalsContact CE-CD 3.45Å; K304-E375 WeakPolarHBondContact CE-OE1 3.36Å; K304-E375 IonicContact NZ-OE1 3.98Å; K304-E375 PolarHBondContact NZ-OE1 3.37Å; K304-E375 IonicContact NZ-OE2 3.79Å; K304-E375 PolarHBondContact NZ-OE2 3.38Å; F329-E375 WeakPolarHBondContact CA-O 3.12Å; F329-E375 WeakPolarHBondContact CD2-O 3.3Å; S330-E375 PolarHBondContact N-O 3.07Å; S330-E375 VanDerWaalsContact N-O 3.15Å; S330-E375 PolarHBondContact O-N 2.97Å; S330-E375 PolarHBondContact OG-OE2 2.78Å; T332-E375 PolarHBondContact OG1-OE1 2.85Å; R347-E375 IonicContact NH2-OE2 2.75Å; W373-E375 HydrophobicContact CB-CG 4.47Å
376F97.6Very high91.5Very high2 Ų255 Ų551%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-121.2122.6176.4-58.7-95.2000108.9L297 L299 K304 C305 I307 F321 L327 F329 L374 V388L297-F376 HydrophobicContact CD1-CD2 4Å; L297-F376 HydrophobicContact CD1-CG 4.32Å; L299-F376 HydrophobicContact CD1-CB 3.75Å; K304-F376 CarbonylContact C-O 3.56Å; K304-F376 WeakPolarHBondContact CA-O 3.03Å; C305-F376 PolarHBondContact N-O 2.9Å; C305-F376 PolarHBondContact O-N 3.19Å; I307-F376 HydrophobicContact CD1-CD2 4.28Å; I307-F376 HydrophobicContact CD1-CE2 3.62Å; I307-F376 HydrophobicContact CD1-CZ 4.46Å; I307-F376 HydrophobicContact CG1-CD2 4.42Å; I307-F376 HydrophobicContact CG1-CE2 4.1Å; F321-F376 HydrophobicContact CB-CE1 4.42Å; F321-F376 AromaticContact CD1-CE1 3.92Å; F321-F376 HydrophobicContact CD1-CE1 3.92Å; F321-F376 HydrophobicContact CD1-CZ 4.43Å; F321-F376 HydrophobicContact CD2-CE1 4.35Å; F321-F376 HydrophobicContact CE1-CE1 4.23Å; F321-F376 AromaticContact CG-CE1 3.98Å; F321-F376 HydrophobicContact CG-CE1 3.98Å; L327-F376 HydrophobicContact CD1-CB 3.89Å; L327-F376 HydrophobicContact CD1-CD1 3.65Å; L327-F376 HydrophobicContact CD1-CG 4.23Å; L327-F376 HydrophobicContact CD2-CD1 4.28Å; F329-F376 AromaticContact CD2-CD1 3.79Å; F329-F376 HydrophobicContact CD2-CD1 3.79Å; F329-F376 AromaticContact CD2-CE1 3.54Å; F329-F376 HydrophobicContact CD2-CE1 3.54Å; F329-F376 HydrophobicContact CD2-CE2 4.48Å; F329-F376 HydrophobicContact CD2-CG 4.37Å; F329-F376 AromaticContact CD2-CZ 3.93Å; F329-F376 HydrophobicContact CD2-CZ 3.93Å; F329-F376 HydrophobicContact CE2-CD1 4.3Å; F329-F376 AromaticContact CE2-CE1 3.66Å; F329-F376 HydrophobicContact CE2-CE1 3.66Å; F329-F376 HydrophobicContact CE2-CE2 4.13Å; F329-F376 AromaticContact CE2-CZ 3.57Å; F329-F376 HydrophobicContact CE2-CZ 3.57Å; L374-F376 HydrophobicContact CB-CE2 3.91Å; L374-F376 HydrophobicContact CB-CZ 4.48Å; F376-V388 HydrophobicContact CD1-CG1 3.79Å; F376-V388 HydrophobicContact CE1-CG1 3.84Å
377E96.2Very high91.4Very high44 Ų4457.8 Ų57.821%0.20628%0.277CS..EExtended strand (participates in β ladder)trans-127.4128.4-178-179.4-176.3170.800109.9C303 K304 L327 K328 V379C303-E377 WeakPolarHBondContact O-CA 3.22Å; K304-E377 HydrophobicContact CB-CB 4.29Å; K304-E377 HydrophobicContact CB-CG 4.31Å; K304-E377 HydrophobicContact CG-CB 4.36Å; L327-E377 CarbonylContact C-O 3.56Å; L327-E377 WeakPolarHBondContact CA-O 3.42Å; K328-E377 HydrophobicContact CB-CB 4.16Å; K328-E377 WeakPolarHBondContact CD-OE2 3.28Å; K328-E377 WeakPolarHBondContact CE-OE2 3.29Å; K328-E377 PolarHBondContact N-O 2.88Å; K328-E377 IonicContact NZ-OE1 2.77Å; K328-E377 IonicContact NZ-OE2 2.69Å; K328-E377 PolarHBondContact NZ-OE2 2.83Å; K328-E377 PolarHBondContact O-N 2.76Å; E377-V379 PolarHBondContact O-N 2.78Å
378N94.5Very high91.5Very high0 Ų055.4 Ų55.40%026%0.264CS..EExtended strand (participates in β ladder)trans-75.7114.2170.3-174.2-8.6000109L299 L300 P301 M302 C303 D380 E384 I386L299-N378 HydrophobicContact CB-CB 3.97Å; L299-N378 PolarHBondContact O-ND2 2.89Å; L299-N378 VanDerWaalsContact O-ND2 3.09Å; L300-N378 VanDerWaalsContact O-CB 3.26Å; L300-N378 WeakPolarHBondContact O-CB 3.39Å; L300-N378 PolarHBondContact O-ND2 2.82Å; P301-N378 WeakPolarHBondContact CA-ND2 3.5Å; M302-N378 VanDerWaalsContact CA-O 3.23Å; M302-N378 WeakPolarHBondContact CA-O 3.08Å; M302-N378 PolarHBondContact N-O 2.86Å; C303-N378 PolarHBondContact O-N 2.86Å; N378-D380 WeakPolarHBondContact OD1-CB 3.06Å; N378-D380 PolarHBondContact OD1-N 2.75Å; N378-E384 PolarHBondContact ND2-O 3.21Å; N378-I386 HydrophobicContact CB-CD1 3.65Å; N378-I386 HydrophobicContact CB-CG1 3.93Å
379V88Confident91.6Very high36 Ų3656.9 Ų56.922%0.21827%0.265CS..  trans-85.7-10.5-179.1-64.10000113.2N326 K328 I349 E377 R381N326-V379 HydrophobicContact CB-CG2 3.98Å; K328-V379 HydrophobicContact CB-CG1 3.39Å; K328-V379 HydrophobicContact CD-CG1 4.42Å; I349-V379 HydrophobicContact CG2-CG2 4.13Å; E377-V379 PolarHBondContact O-N 2.78Å; V379-R381 PolarHBondContact O-N 2.6Å
380D81.1Confident91.7Very high39 Ų3952.1 Ų52.121%0.20924%0.242CC..  trans-68.7124.8177.9-76.3-53.4000110M302 N378 S382M302-D380 PolarHBondContact N-O 3.46Å; N378-D380 WeakPolarHBondContact OD1-CB 3.06Å; N378-D380 PolarHBondContact OD1-N 2.75Å; D380-S382 VanDerWaalsContact C-N 3.26Å
381R71.8Confident91.6Very high227 Ų22754.5 Ų54.586%0.85725%0.252SS*.  trans-82.8-7171.9-64.8-178.6-178.8-176.52.3112.5M302 V379M302-R381 HydrophobicContact SD-CG 3.66Å; V379-R381 PolarHBondContact O-N 2.6Å
382S76.5Confident91.5Very high60 Ų6054.3 Ų54.342%0.4225%0.254SS..SBendtrans-81.5-171.5179.373.60000110.9P301 D380 E384P301-S382 WeakPolarHBondContact CB-O 3.26Å; P301-S382 WeakPolarHBondContact CG-O 3.49Å; D380-S382 VanDerWaalsContact C-N 3.26Å; S382-E384 PolarHBondContact O-N 2.77Å; S382-E384 PolarHBondContact OG-N 3Å
383F78.2Confident91.4Very high210 Ų21058.2 Ų58.292%0.92127%0.271SS*.SBendtrans-828.7176.4-57.5-77.4000113.9V385F383-V385 PolarHBondContact O-N 3.23Å
384E85.4Confident91.3Very high96 Ų9657.1 Ų57.145%0.44927%0.271SS..  trans-75.4114.8-174.1-168.4168.4173.800111.7N378 S382N378-E384 PolarHBondContact ND2-O 3.21Å; S382-E384 PolarHBondContact O-N 2.77Å; S382-E384 PolarHBondContact OG-N 3Å
385V91.6Very high91.1Very high62 Ų6259.6 Ų59.638%0.37628%0.282SS..  trans-81.8130.5169.8-179.40000108.4L298 L300 F383L298-V385 HydrophobicContact CD2-CG1 4.1Å; L300-V385 HydrophobicContact CD2-CG1 4.42Å; L300-V385 HydrophobicContact CD2-CG2 3.89Å; F383-V385 PolarHBondContact O-N 3.23Å
386I93.7Very high90.9Very high0 Ų064.1 Ų64.10%031%0.314CS..EExtended strand (participates in β ladder)trans-104.2137.5177.968.2175.7000111L299 S324 L327 N378L299-I386 HydrophobicContact CB-CD1 4.17Å; L299-I386 HydrophobicContact CB-CG1 3.62Å; L299-I386 HydrophobicContact CD1-CD1 3.89Å; L299-I386 HydrophobicContact CD1-CG1 4.09Å; L299-I386 HydrophobicContact CG-CG1 4.28Å; L299-I386 PolarHBondContact N-O 3.29Å; L299-I386 PolarHBondContact O-N 3.47Å; S324-I386 WeakPolarHBondContact OG-CA 3.42Å; L327-I386 HydrophobicContact CB-CD1 3.73Å; N378-I386 HydrophobicContact CB-CD1 3.65Å; N378-I386 HydrophobicContact CB-CG1 3.93Å
387N94.9Very high90.5Very high60 Ų6067.3 Ų67.332%0.32133%0.33SS..EExtended strand (participates in β ladder)trans-91.5135.3168.9-66.8-43.2000108.6L297 L298 T323 S324L297-N387 WeakPolarHBondContact O-CA 3.48Å; L298-N387 WeakPolarHBondContact CD2-OD1 3.38Å; T323-N387 WeakPolarHBondContact CA-O 3.46Å; T323-N387 PolarHBondContact OG1-O 3.14Å; T323-N387 VanDerWaalsContact OG1-O 3.06Å; S324-N387 PolarHBondContact N-O 3.06Å; S324-N387 VanDerWaalsContact N-O 3.12Å; S324-N387 PolarHBondContact OG-N 3.3Å
388V96.8Very high89.7Confident0 Ų070.5 Ų70.50%036%0.355CS..EExtended strand (participates in β ladder)trans-122.8112.6170-1740000108.6T296 L297 L299 F321 L327 F376T296-V388 CarbonylContact C-O 3.6Å; T296-V388 WeakPolarHBondContact CA-O 3.49Å; L297-V388 HydrophobicContact CB-CB 4.29Å; L297-V388 PolarHBondContact N-O 3.31Å; L297-V388 PolarHBondContact O-N 2.68Å; L299-V388 HydrophobicContact CD1-CG2 3.66Å; L299-V388 HydrophobicContact CG-CG2 4.35Å; F321-V388 HydrophobicContact CB-CG1 4.28Å; F321-V388 HydrophobicContact CD2-CG1 4.33Å; L327-V388 HydrophobicContact CD2-CG1 4.44Å; L327-V388 HydrophobicContact CD2-CG2 4.15Å; F376-V388 HydrophobicContact CD1-CG1 3.79Å; F376-V388 HydrophobicContact CE1-CG1 3.84Å
389H96.6Very high88.7Confident53 Ų5380.4 Ų80.425%0.24540%0.398CS..EExtended strand (participates in β ladder)trans-94.6120.2172.4-60.7-79.7000108.5Y294 N295 T296 F321 F322Y294-H389 HydrophobicContact CG-CB 4.39Å; N295-H389 CarbonylContact O-C 3.55Å; N295-H389 VanDerWaalsContact O-CA 3.24Å; N295-H389 WeakPolarHBondContact O-CA 3.17Å; T296-H389 PolarHBondContact OG1-CE1 2.94Å; T296-H389 PolarHBondContact OG1-ND1 3.01Å; F321-H389 CarbonylContact C-O 3.53Å; F321-H389 WeakPolarHBondContact CA-O 3.38Å; F321-H389 WeakPolarHBondContact CB-O 3.24Å; F322-H389 HydrophobicContact CD1-CB 3.96Å; F322-H389 HydrophobicContact CD2-CB 4.05Å; F322-H389 AromaticContact CD2-CD2 3.76Å; F322-H389 HydrophobicContact CE1-CB 3.46Å; F322-H389 VanDerWaalsContact CE1-CB 3.46Å; F322-H389 HydrophobicContact CE2-CB 3.58Å; F322-H389 AromaticContact CE2-CD2 3.14Å; F322-H389 WeakPolarHBondContact CE2-CD2 3.37Å; F322-H389 AromaticContact CE2-CG 3.51Å; F322-H389 HydrophobicContact CG-CB 4.23Å; F322-H389 HydrophobicContact CZ-CB 3.25Å; F322-H389 AromaticContact CZ-CD2 3.65Å; F322-H389 AromaticContact CZ-CG 3.49Å; F322-H389 VanDerWaalsContact CZ-CG 3.49Å; F322-H389 PolarHBondContact N-O 3.42Å; F322-H389 PolarHBondContact O-N 3.21Å
390Y96.5Very high87.6Confident31 Ų3188.8 Ų88.812%0.12245%0.449CS..EExtended strand (participates in β ladder)trans-138.8160-171.276.4-83.7000112.6N295 L297 I307 I320N295-Y390 HydrophobicContact CB-CD1 3.93Å; N295-Y390 HydrophobicContact CB-CD2 4.42Å; N295-Y390 HydrophobicContact CB-CE1 3.32Å; N295-Y390 HydrophobicContact CB-CE2 3.87Å; N295-Y390 HydrophobicContact CB-CG 4.45Å; N295-Y390 PolarHBondContact N-O 3.41Å; N295-Y390 PolarHBondContact O-N 2.87Å; L297-Y390 HydrophobicContact CD1-CD1 4.2Å; L297-Y390 HydrophobicContact CD1-CE1 4.03Å; L297-Y390 HydrophobicContact CD2-CE1 3.8Å; L297-Y390 HydrophobicContact CG-CD1 3.9Å; L297-Y390 HydrophobicContact CG-CE1 3.53Å; I307-Y390 HydrophobicContact CD1-CD1 4.2Å; I307-Y390 HydrophobicContact CD1-CD2 3.51Å; I307-Y390 HydrophobicContact CD1-CE1 3.82Å; I307-Y390 HydrophobicContact CD1-CE2 3.1Å; I307-Y390 HydrophobicContact CD1-CG 4.04Å; I307-Y390 HydrophobicContact CG1-CE2 4.43Å; I320-Y390 CarbonylContact O-C 3.56Å; I320-Y390 WeakPolarHBondContact O-CA 3.26Å
391K95.6Very high87.9Confident86 Ų8691.3 Ų91.337%0.37446%0.461SS..EExtended strand (participates in β ladder)trans-146.7132.8166.8-177.5172.7-176.1169.10108.5V292 Y294 W319 I320V292-K391 HydrophobicContact CG1-CD 3.66Å; Y294-K391 HydrophobicContact CD1-CB 4.22Å; W319-K391 WeakPolarHBondContact CA-O 3.31Å; I320-K391 HydrophobicContact CG2-CB 3.82Å; I320-K391 PolarHBondContact N-O 2.81Å; I320-K391 PolarHBondContact O-N 3.3Å
392C95.4Very high88.8Confident27 Ų2784.2 Ų84.218%0.18244%0.44CS..EExtended strand (participates in β ladder)trans-129.1146.6174.252.30000109.2M309 L317 R318 W319 L374M309-C392 HydrophobicContact CE-CB 4.48Å; M309-C392 HydrophobicContact SD-CB 4.37Å; L317-C392 HydrophobicContact CD1-CB 4.5Å; R318-C392 CarbonylContact O-C 3.54Å; R318-C392 VanDerWaalsContact O-CA 3.27Å; R318-C392 WeakPolarHBondContact O-CA 3.3Å; W319-C392 HydrophobicContact CB-CB 4.4Å; L374-C392 HydrophobicContact CD2-CB 3.99Å
393K95.3Very high89.4Confident88 Ų8885.5 Ų85.538%0.38344%0.441SS..EExtended strand (participates in β ladder)trans-148.8149.3177.760.1176.8179.2172.80110.4R318 E395R318-K393 HydrophobicContact CB-CG 4.14Å; R318-K393 PolarHBondContact N-O 2.84Å; R318-K393 PolarHBondContact O-N 3.03Å; K393-E395 HydrophobicContact CD-CG 3.85Å; K393-E395 WeakPolarHBondContact CD-OE1 3.47Å; K393-E395 WeakPolarHBondContact CE-OE1 3.48Å; K393-E395 HydrophobicContact CG-CG 4.07Å; K393-E395 VanDerWaalsContact NZ-CD 3.25Å; K393-E395 IonicContact NZ-OE1 2.59Å; K393-E395 PolarHBondContact NZ-OE1 3.2Å; K393-E395 IonicContact NZ-OE2 3.93Å; K393-E395 PolarHBondContact NZ-OE2 3.01Å
394L96.6Very high90.1Very high58 Ų5878.2 Ų78.230%0.30441%0.413SS..EExtended strand (participates in β ladder)trans-99126.1168.5-63167.3000107.3M309 P311 M316 L317 V366M309-L394 HydrophobicContact CE-CD1 4.06Å; M309-L394 HydrophobicContact CE-CD2 4.38Å; M309-L394 HydrophobicContact CE-CG 3.75Å; P311-L394 HydrophobicContact CB-CD1 4.37Å; P311-L394 HydrophobicContact CB-CD2 4.39Å; M316-L394 WeakPolarHBondContact O-CA 3.25Å; L317-L394 HydrophobicContact CB-CD2 4.01Å; L317-L394 HydrophobicContact CD1-CD2 3.96Å; V366-L394 HydrophobicContact CG2-CD2 3.82Å
395E93.8Very high90.4Very high52 Ų5277.1 Ų77.124%0.24341%0.411CS..EExtended strand (participates in β ladder)trans-120.7134.6178.9-62.3-163.3134.500110.3C315 M316 R318 K393C315-E395 VanDerWaalsContact CB-O 3.3Å; C315-E395 WeakPolarHBondContact CB-O 3.5Å; M316-E395 PolarHBondContact N-O 2.93Å; M316-E395 PolarHBondContact O-N 3.07Å; R318-E395 VanDerWaalsContact CD-OE2 3.29Å; R318-E395 WeakPolarHBondContact CD-OE2 3.24Å; R318-E395 IonicContact CZ-OE2 2.79Å; R318-E395 IonicContact NE-OE2 3.86Å; R318-E395 IonicContact NH1-OE2 3.51Å; R318-E395 PolarHBondContact NH1-OE2 3.29Å; K393-E395 HydrophobicContact CD-CG 3.85Å; K393-E395 WeakPolarHBondContact CD-OE1 3.47Å; K393-E395 WeakPolarHBondContact CE-OE1 3.48Å; K393-E395 HydrophobicContact CG-CG 4.07Å; K393-E395 VanDerWaalsContact NZ-CD 3.25Å; K393-E395 IonicContact NZ-OE1 2.59Å; K393-E395 PolarHBondContact NZ-OE1 3.2Å; K393-E395 IonicContact NZ-OE2 3.93Å; K393-E395 PolarHBondContact NZ-OE2 3.01Å
396P92.4Very high90.3Very high116 Ų11678.1 Ų78.175%0.75341%0.413SS*.EExtended strand (participates in β ladder)trans-53.8148.2171.7-23.333000111.4
397L89.3Confident90.1Very high68 Ų6883.6 Ų83.636%0.35644%0.443SS..PPolyproline II helixtrans-61.4146.4174.2-61.4177.6000110.4R314 M316 L365 K399R314-L397 HydrophobicContact CG-CD1 4.24Å; M316-L397 HydrophobicContact CB-CD2 4.48Å; L365-L397 HydrophobicContact CD1-CD1 4.23Å; L365-L397 HydrophobicContact CD1-CD2 3.45Å; L365-L397 VanDerWaalsContact CD1-CD2 3.45Å; L365-L397 HydrophobicContact CD1-CG 4.42Å; L397-K399 PolarHBondContact O-N 3.16Å
398P80.1Confident89.7Confident111 Ų11185.5 Ų85.572%0.72145%0.452SS*.PPolyproline II helixtrans-54131.4171.8-18.429.6000109.1V400P398-V400 PolarHBondContact O-N 3.27Å; P398-V400 VanDerWaalsContact O-N 3.16Å
399K72.6Confident89.1Confident208 Ų20892.6 Ų92.690%0.90449%0.49SS*.  trans-64.7115.4165.8-66-176.1179.5-177.30106.4L397L397-K399 PolarHBondContact O-N 3.16Å
400V65.4Low88.4Confident213 Ų21396.2 Ų96.2100%1.29151%0.512SS*.  trans-70.50174.5-179.50000109.4P398P398-V400 PolarHBondContact O-N 3.27Å; P398-V400 VanDerWaalsContact O-N 3.16Å

Retrieved 400 of 400 residues in 247.3 ms (Link to these results)

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