A0A077ZGQ6_TRITR Loading...

DAGK cat domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M86Confident93.5Very high66 Ų6681.5 Ų81.533%0.32542%0.418SS..  0-64.70-155.654.4-162.700114K3 N4 V5 V8 A49 I74 T76 P93M1-K3 VanDerWaalsContact C-N 3.25Å; M1-K3 PolarHBondContact O-N 2.71Å; M1-N4 PolarHBondContact O-N 3.39Å; M1-V5 HydrophobicContact CE-CG2 4.26Å; M1-V5 HydrophobicContact CG-CG2 4.49Å; M1-V5 PolarHBondContact O-N 3.41Å; M1-V8 HydrophobicContact CE-CB 4.34Å; M1-V8 HydrophobicContact CE-CG1 4.24Å; M1-V8 HydrophobicContact CE-CG2 4.18Å; M1-A49 HydrophobicContact CE-CB 3.97Å; M1-A49 HydrophobicContact CG-CB 4.08Å; M1-A49 HydrophobicContact SD-CB 3.93Å; M1-I74 HydrophobicContact CE-CD1 4.3Å; M1-I74 HydrophobicContact SD-CG2 4Å; M1-T76 HydrophobicContact CB-CG2 4.2Å; M1-P93 HydrophobicContact SD-CB 3.97Å; M1-P93 HydrophobicContact SD-CG 4.44Å
2K82.8Confident93.9Very high169 Ų16974.9 Ų74.974%0.73539%0.385SS*.THydrogen-bonded Turntrans-49.1-37.1-171-70.3-171.9176.5-176.40116.1N4K2-N4 VanDerWaalsContact C-N 3.34Å
3K90.1Very high94.2Very high205 Ų20578.2 Ų78.289%0.89140%0.398SS*.THydrogen-bonded Turntrans-79.4-13.5179-64-175.7178.9-178.10114.4M1M1-K3 VanDerWaalsContact C-N 3.25Å; M1-K3 PolarHBondContact O-N 2.71Å
4N93.6Very high94.4Very high42 Ų4277.4 Ų77.423%0.22542%0.418CS..THydrogen-bonded Turntrans-111.8-0.6-172.3-59.195.1000112.9M1 K2 A6 E7 V8 P93 V94M1-N4 PolarHBondContact O-N 3.39Å; K2-N4 VanDerWaalsContact C-N 3.34Å; N4-A6 PolarHBondContact O-N 3.01Å; N4-E7 PolarHBondContact O-N 3.04Å; N4-V8 HydrophobicContact CB-CG2 4.42Å; N4-V8 WeakPolarHBondContact O-CB 3.49Å; N4-V8 WeakPolarHBondContact O-CG2 3.44Å; N4-V8 PolarHBondContact O-N 2.88Å; N4-P93 HydrophobicContact CB-CB 4.19Å; N4-P93 HydrophobicContact CB-CG 4.45Å; N4-V94 HydrophobicContact CB-CG2 4.19Å
5V94.9Very high94.5Very high47 Ų4778.1 Ų78.129%0.28542%0.416SS..Hα-helixtrans-56.9-49.7-174.2177.60000111.1M1 E7 V8 L9 A21M1-V5 HydrophobicContact CE-CG2 4.26Å; M1-V5 HydrophobicContact CG-CG2 4.49Å; M1-V5 PolarHBondContact O-N 3.41Å; V5-E7 VanDerWaalsContact C-N 3.34Å; V5-E7 PolarHBondContact O-N 3.24Å; V5-V8 PolarHBondContact O-N 3.38Å; V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.26Å; V5-L9 VanDerWaalsContact O-CG 3.29Å; V5-L9 WeakPolarHBondContact O-CG 3.41Å; V5-L9 PolarHBondContact O-N 3.26Å; V5-A21 HydrophobicContact CG1-CB 4.32Å
6A95.8Very high94.7Very high80 Ų8077.5 Ų77.566%0.66143%0.434SS*.Hα-helixtrans-59.1-43.5-179.800000112.8N4 L9 D10N4-A6 PolarHBondContact O-N 3.01Å; A6-L9 PolarHBondContact O-N 2.91Å; A6-D10 WeakPolarHBondContact O-CB 3.3Å; A6-D10 PolarHBondContact O-N 3.47Å
7E96.6Very high94.8Very high103 Ų10376.7 Ų76.748%0.48142%0.423SS..Hα-helixtrans-70-35.8179-169.2177.9-177.200112.2N4 V5 V11 V94N4-E7 PolarHBondContact O-N 3.04Å; V5-E7 VanDerWaalsContact C-N 3.34Å; V5-E7 PolarHBondContact O-N 3.24Å; E7-V11 VanDerWaalsContact O-CG2 3.3Å; E7-V11 WeakPolarHBondContact O-CG2 3.26Å; E7-V11 PolarHBondContact O-N 3.39Å; E7-V94 HydrophobicContact CB-CG2 4.18Å; E7-V94 HydrophobicContact CG-CG1 4Å; E7-V94 HydrophobicContact CG-CG2 3.86Å; E7-V94 WeakPolarHBondContact OE2-CG2 3.23Å
8V97.2Very high94.9Very high5 Ų583.4 Ų83.43%0.0345%0.451CS..Hα-helixtrans-64.8-43.7173166.90000110.9M1 N4 V5 V11 L12 I74 P93 V94 A97M1-V8 HydrophobicContact CE-CB 4.34Å; M1-V8 HydrophobicContact CE-CG1 4.24Å; M1-V8 HydrophobicContact CE-CG2 4.18Å; N4-V8 HydrophobicContact CB-CG2 4.42Å; N4-V8 WeakPolarHBondContact O-CB 3.49Å; N4-V8 WeakPolarHBondContact O-CG2 3.44Å; N4-V8 PolarHBondContact O-N 2.88Å; V5-V8 PolarHBondContact O-N 3.38Å; V8-V11 PolarHBondContact O-N 2.81Å; V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 VanDerWaalsContact O-CG 3.23Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.28Å; V8-I74 HydrophobicContact CG1-CD1 3.63Å; V8-I74 HydrophobicContact CG2-CD1 4.42Å; V8-P93 HydrophobicContact CG2-CB 4.3Å; V8-V94 HydrophobicContact CG2-CG2 4.27Å; V8-A97 HydrophobicContact CG1-CB 4.01Å; V8-A97 HydrophobicContact CG2-CB 4.32Å
9L97.2Very high95Very high42 Ų4280.7 Ų80.722%0.2244%0.438CS..Hα-helixtrans-62.6-45.2176.8-66.2176000111.2V5 A6 V11 L12 E13 T19V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.26Å; V5-L9 VanDerWaalsContact O-CG 3.29Å; V5-L9 WeakPolarHBondContact O-CG 3.41Å; V5-L9 PolarHBondContact O-N 3.26Å; A6-L9 PolarHBondContact O-N 2.91Å; L9-V11 VanDerWaalsContact C-N 3.33Å; L9-V11 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.35Å; L9-L12 VanDerWaalsContact O-N 3.12Å; L9-E13 PolarHBondContact O-N 3.41Å; L9-T19 HydrophobicContact CD2-CG2 3.31Å
10D97.4Very high95.1Very high114 Ų11480.6 Ų80.661%0.6144%0.443SS*.Hα-helixtrans-58.9-42.3176.5-175.365.9000112.2A6 L12 G14A6-D10 WeakPolarHBondContact O-CB 3.3Å; A6-D10 PolarHBondContact O-N 3.47Å; D10-L12 PolarHBondContact O-N 3.38Å; D10-G14 PolarHBondContact O-N 2.97Å
11V97.4Very high95.2Very high23 Ų2380.1 Ų80.114%0.13945%0.45CS..Hα-helixtrans-61.2-43.3174.1165.90000111.8E7 V8 L9 G14 F15 V94 A97 K98E7-V11 VanDerWaalsContact O-CG2 3.3Å; E7-V11 WeakPolarHBondContact O-CG2 3.26Å; E7-V11 PolarHBondContact O-N 3.39Å; V8-V11 PolarHBondContact O-N 2.81Å; L9-V11 VanDerWaalsContact C-N 3.33Å; L9-V11 PolarHBondContact O-N 3.15Å; V11-G14 PolarHBondContact O-N 3.44Å; V11-F15 HydrophobicContact CG1-CD2 4.16Å; V11-F15 HydrophobicContact CG1-CE2 3.41Å; V11-F15 VanDerWaalsContact CG1-CE2 3.41Å; V11-F15 HydrophobicContact CG1-CZ 3.9Å; V11-F15 VanDerWaalsContact O-CD2 3.26Å; V11-F15 WeakPolarHBondContact O-CD2 3.34Å; V11-F15 PolarHBondContact O-N 3.1Å; V11-V94 HydrophobicContact CG2-CG1 4.02Å; V11-A97 HydrophobicContact CG1-CB 4.25Å; V11-K98 HydrophobicContact CG1-CG 4.01Å
12L97.6Very high95.7Very high3 Ų381.7 Ų81.72%0.01646%0.455CS..Hα-helixtrans-71-41.1-178.4-66.9167.3000112.2V8 L9 D10 G14 F15 G16 Y17 T19 I47 I100V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 VanDerWaalsContact O-CG 3.23Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.28Å; L9-L12 PolarHBondContact O-N 3.35Å; L9-L12 VanDerWaalsContact O-N 3.12Å; D10-L12 PolarHBondContact O-N 3.38Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.49Å; L12-F15 CarbonylContact O-C 3.49Å; L12-F15 WeakPolarHBondContact O-CA 3.49Å; L12-F15 PolarHBondContact O-N 3.32Å; L12-G16 PolarHBondContact O-N 3.42Å; L12-Y17 PolarHBondContact O-N 3Å; L12-Y17 VanDerWaalsContact O-N 3.12Å; L12-T19 HydrophobicContact CB-CG2 4.27Å; L12-T19 WeakPolarHBondContact CB-OG1 3.5Å; L12-T19 HydrophobicContact CD1-CG2 3.7Å; L12-I47 HydrophobicContact CD1-CD1 3.47Å; L12-I47 VanDerWaalsContact CD1-CD1 3.47Å; L12-I47 HydrophobicContact CD2-CD1 3.76Å; L12-I47 HydrophobicContact CG-CD1 4.29Å; L12-I100 HydrophobicContact CD2-CB 4.41Å; L12-I100 HydrophobicContact CD2-CD1 3.51Å; L12-I100 HydrophobicContact CD2-CG2 4.34Å
13E97.5Very high96.4Very high118 Ų11880.3 Ų80.355%0.55145%0.452SS*.Hα-helixtrans-61.2-37.6171-74.8-172.8-158.400111.2L9 F15 G16 Y17L9-E13 PolarHBondContact O-N 3.41Å; E13-F15 PolarHBondContact O-N 3.43Å; E13-G16 WeakPolarHBondContact O-CA 3.23Å; E13-G16 PolarHBondContact O-N 3.19Å; E13-Y17 WeakPolarHBondContact CA-O 3.43Å; E13-Y17 WeakPolarHBondContact CG-O 3.37Å
14G97.4Very high96.6Very high66 Ų6673.9 Ų73.968%0.6843%0.43SS*.Hα-helixtrans-61-21172.300000114.5D10 V11 L12D10-G14 PolarHBondContact O-N 2.97Å; V11-G14 PolarHBondContact O-N 3.44Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.49Å
15F96.7Very high96.7Very high88 Ų8875.2 Ų75.239%0.38644%0.439SS..THydrogen-bonded Turntrans-95.52.5171.7-57.7-40.7000113.6V11 L12 E13 Y17V11-F15 HydrophobicContact CG1-CD2 4.16Å; V11-F15 HydrophobicContact CG1-CE2 3.41Å; V11-F15 VanDerWaalsContact CG1-CE2 3.41Å; V11-F15 HydrophobicContact CG1-CZ 3.9Å; V11-F15 VanDerWaalsContact O-CD2 3.26Å; V11-F15 WeakPolarHBondContact O-CD2 3.34Å; V11-F15 PolarHBondContact O-N 3.1Å; L12-F15 CarbonylContact O-C 3.49Å; L12-F15 WeakPolarHBondContact O-CA 3.49Å; L12-F15 PolarHBondContact O-N 3.32Å; E13-F15 PolarHBondContact O-N 3.43Å; F15-Y17 HydrophobicContact CB-CD2 4.2Å; F15-Y17 HydrophobicContact CB-CE2 4.46Å
16G96.4Very high96.5Very high69 Ų6979.5 Ų79.571%0.71147%0.468SS*.THydrogen-bonded Turntrans93.411.5176.800000115.4L12 E13L12-G16 PolarHBondContact O-N 3.42Å; E13-G16 WeakPolarHBondContact O-CA 3.23Å; E13-G16 PolarHBondContact O-N 3.19Å
17Y96.9Very high96.4Very high64 Ų6482 Ų8225%0.25147%0.466SS..  trans-90.2120.6175.7-70.1-80.5000111.9L12 E13 F15 T19 L45 I100L12-Y17 PolarHBondContact O-N 3Å; L12-Y17 VanDerWaalsContact O-N 3.12Å; E13-Y17 WeakPolarHBondContact CA-O 3.43Å; E13-Y17 WeakPolarHBondContact CG-O 3.37Å; F15-Y17 HydrophobicContact CB-CD2 4.2Å; F15-Y17 HydrophobicContact CB-CE2 4.46Å; Y17-T19 WeakPolarHBondContact CB-OG1 3.48Å; Y17-T19 PolarHBondContact O-N 3.03Å; Y17-T19 VanDerWaalsContact O-N 3.09Å; Y17-T19 PolarHBondContact O-OG1 3.29Å; Y17-L45 HydrophobicContact CD1-CB 4.42Å; Y17-L45 HydrophobicContact CD1-CD2 4.23Å; Y17-L45 HydrophobicContact CE1-CB 3.94Å; Y17-L45 HydrophobicContact CE1-CD2 3.78Å; Y17-L45 HydrophobicContact CE2-CD2 4.12Å; Y17-I100 HydrophobicContact CE2-CG2 3.79Å
18E97.3Very high96.1Very high198 Ų19881.8 Ų81.893%0.92547%0.474SS*.  trans-66.5106.7161.3-175.5-179.2143.400108.4
19T97.1Very high96Very high32 Ų3284.5 Ų84.520%0.19649%0.488CS..  trans-113.2132.5-165.3-49.70000111.8L9 L12 Y17L9-T19 HydrophobicContact CD2-CG2 3.31Å; L12-T19 HydrophobicContact CB-CG2 4.27Å; L12-T19 WeakPolarHBondContact CB-OG1 3.5Å; L12-T19 HydrophobicContact CD1-CG2 3.7Å; Y17-T19 WeakPolarHBondContact CB-OG1 3.48Å; Y17-T19 PolarHBondContact O-N 3.03Å; Y17-T19 VanDerWaalsContact O-N 3.09Å; Y17-T19 PolarHBondContact O-OG1 3.29Å
20S96.6Very high96Very high77 Ų7783 Ų8354%0.53848%0.481SS..  trans-121.6163.7169.762.60000110.7
21A97Very high96Very high72 Ų7278 Ų7860%0.59546%0.455SS*.  trans-129.7138.4-178.900000111.4V5V5-A21 HydrophobicContact CG1-CB 4.32Å
22F97.2Very high96.1Very high99 Ų9981 Ų8143%0.43446%0.464SS..  trans-115.7129.9169.6175.9-97.8000109.7T24 E34F22-T24 HydrophobicContact CD1-CG2 4.4Å; F22-T24 HydrophobicContact CE1-CG2 4.31Å; F22-E34 HydrophobicContact CB-CG 3.78Å; F22-E34 VanDerWaalsContact CB-OE1 3.32Å; F22-E34 WeakPolarHBondContact CB-OE1 3.2Å; F22-E34 HydrophobicContact CD1-CB 3.75Å; F22-E34 HydrophobicContact CD1-CG 3.43Å; F22-E34 VanDerWaalsContact CD1-CG 3.43Å; F22-E34 HydrophobicContact CD2-CG 4.11Å; F22-E34 HydrophobicContact CE1-CB 3.72Å; F22-E34 HydrophobicContact CE1-CG 3.93Å; F22-E34 HydrophobicContact CG-CB 4.25Å; F22-E34 HydrophobicContact CG-CG 3.51Å; F22-E34 HydrophobicContact CZ-CB 4.24Å; F22-E34 HydrophobicContact CZ-CG 4.47Å
23Q96.2Very high96.1Very high140 Ų14084.5 Ų84.565%0.65448%0.483SS*.PPolyproline II helixtrans-93.1116.1172.6-174.6-177.5-24.600108.9
24T95.2Very high96.1Very high70 Ų7080.7 Ų80.743%0.42947%0.465SS..PPolyproline II helixtrans-57.1146.8176.559.90000111.7F22 S30 A31F22-T24 HydrophobicContact CD1-CG2 4.4Å; F22-T24 HydrophobicContact CE1-CG2 4.31Å; T24-S30 WeakPolarHBondContact CA-OG 3.33Å; T24-A31 HydrophobicContact CG2-CB 3.81Å
25T94.8Very high96.2Very high69 Ų6977.7 Ų77.742%0.42343%0.434SS..PPolyproline II helixtrans-99.8170.3176.670.20000110.2E27 S30T25-E27 PolarHBondContact O-N 3.2Å; T25-E27 WeakPolarHBondContact OG1-CB 3.47Å; T25-E27 PolarHBondContact OG1-N 3.44Å; T25-S30 PolarHBondContact N-OG 3.12Å; T25-S30 PolarHBondContact OG1-OG 3.07Å
26P91.9Very high96.3Very high137 Ų13778.1 Ų78.189%0.8944%0.436SS*.SBendtrans-69.4-3.3170.9-2034.2000114.6
27E93.5Very high96.3Very high132 Ų13280.3 Ų80.362%0.61742%0.423SS*.SBendtrans-67.7142.4179.5-63.4-58.614500110.7T25 N29 S30T25-E27 PolarHBondContact O-N 3.2Å; T25-E27 WeakPolarHBondContact OG1-CB 3.47Å; T25-E27 PolarHBondContact OG1-N 3.44Å; E27-N29 PolarHBondContact O-N 3.33Å; E27-S30 WeakPolarHBondContact O-CB 3.29Å; E27-S30 PolarHBondContact O-N 2.86Å
28P90.6Very high96.4Very high100 Ų10077.7 Ų77.765%0.64941%0.414SS*.THydrogen-bonded Turntrans-54.7136.2175.4-23.933.3000111.4S30P28-S30 VanDerWaalsContact C-N 3.26Å; P28-S30 PolarHBondContact O-N 3.12Å
29N93.9Very high96.4Very high61 Ų6169 Ų6933%0.32637%0.374SS..THydrogen-bonded Turntrans65.320.4177.2-47.6-66.2000115.2E27 A31 R32 D33 E57E27-N29 PolarHBondContact O-N 3.33Å; N29-A31 PolarHBondContact O-N 2.89Å; N29-R32 HydrophobicContact CB-CB 4.01Å; N29-R32 VanDerWaalsContact CG-CZ 3.43Å; N29-R32 WeakPolarHBondContact O-CB 3.39Å; N29-R32 PolarHBondContact O-N 2.91Å; N29-R32 VanDerWaalsContact O-N 3.09Å; N29-D33 PolarHBondContact O-N 3.09Å; N29-E57 VanDerWaalsContact CA-OE2 3.29Å; N29-E57 WeakPolarHBondContact CA-OE2 3.45Å
30S97.6Very high96.5Very high12 Ų1273.4 Ų73.48%0.08439%0.393CS..Hα-helixtrans-54.9-37.6-178.5175.50000113.4T24 T25 E27 P28 E34 E57T24-S30 WeakPolarHBondContact CA-OG 3.33Å; T25-S30 PolarHBondContact N-OG 3.12Å; T25-S30 PolarHBondContact OG1-OG 3.07Å; E27-S30 WeakPolarHBondContact O-CB 3.29Å; E27-S30 PolarHBondContact O-N 2.86Å; P28-S30 VanDerWaalsContact C-N 3.26Å; P28-S30 PolarHBondContact O-N 3.12Å; S30-E34 WeakPolarHBondContact O-CB 3.26Å; S30-E34 PolarHBondContact O-N 3.34Å; S30-E57 PolarHBondContact N-OE2 3Å
31A97.9Very high96.5Very high8 Ų872.9 Ų72.97%0.06639%0.393CS..Hα-helixtrans-78.3-35.5178.900000111.6T24 N29 A35 T54 E57 V58T24-A31 HydrophobicContact CG2-CB 3.81Å; N29-A31 PolarHBondContact O-N 2.89Å; A31-A35 VanDerWaalsContact O-CB 3.23Å; A31-A35 WeakPolarHBondContact O-CB 3.33Å; A31-A35 PolarHBondContact O-N 3.25Å; A31-T54 HydrophobicContact CB-CG2 4.12Å; A31-E57 HydrophobicContact CB-CB 3.83Å; A31-E57 WeakPolarHBondContact CB-OE2 3.13Å; A31-E57 PolarHBondContact N-OE2 3.4Å; A31-V58 HydrophobicContact CB-CG2 4.09Å
32R97.8Very high96.5Very high85 Ų8571.6 Ų71.632%0.32139%0.387SS..Hα-helixtrans-61.6-51.4176.6-175.1-164.671.5-174.7-4.1111.8N29 E34 A35 K36 E57 N60 G61N29-R32 HydrophobicContact CB-CB 4.01Å; N29-R32 VanDerWaalsContact CG-CZ 3.43Å; N29-R32 WeakPolarHBondContact O-CB 3.39Å; N29-R32 PolarHBondContact O-N 2.91Å; N29-R32 VanDerWaalsContact O-N 3.09Å; R32-E34 VanDerWaalsContact C-N 3.32Å; R32-E34 PolarHBondContact O-N 2.87Å; R32-A35 PolarHBondContact O-N 2.75Å; R32-K36 PolarHBondContact O-N 3.07Å; R32-E57 WeakPolarHBondContact CA-O 3.46Å; R32-E57 HydrophobicContact CB-CB 4.17Å; R32-E57 VanDerWaalsContact CB-O 3.24Å; R32-E57 WeakPolarHBondContact CB-O 3.34Å; R32-E57 WeakPolarHBondContact CG-O 3.47Å; R32-E57 PolarHBondContact N-OE2 2.98Å; R32-N60 HydrophobicContact CG-CB 3.98Å; R32-G61 WeakPolarHBondContact O-CA 3.41Å
33D98.2Very high96.6Very high78 Ų7870.4 Ų70.442%0.41738%0.382SS..Hα-helixtrans-67.9-37-174.2-66.3-7.8000110.6N29 R37N29-D33 PolarHBondContact O-N 3.09Å; D33-R37 WeakPolarHBondContact O-CB 3.41Å; D33-R37 PolarHBondContact O-N 2.97Å
34E98.4Very high96.6Very high38 Ų3869.4 Ų69.418%0.17838%0.381CS..Hα-helixtrans-66.9-44.1172.4176.567178.100112.5F22 S30 R32 K36 R37 A38F22-E34 HydrophobicContact CB-CG 3.78Å; F22-E34 VanDerWaalsContact CB-OE1 3.32Å; F22-E34 WeakPolarHBondContact CB-OE1 3.2Å; F22-E34 HydrophobicContact CD1-CB 3.75Å; F22-E34 HydrophobicContact CD1-CG 3.43Å; F22-E34 VanDerWaalsContact CD1-CG 3.43Å; F22-E34 HydrophobicContact CD2-CG 4.11Å; F22-E34 HydrophobicContact CE1-CB 3.72Å; F22-E34 HydrophobicContact CE1-CG 3.93Å; F22-E34 HydrophobicContact CG-CB 4.25Å; F22-E34 HydrophobicContact CG-CG 3.51Å; F22-E34 HydrophobicContact CZ-CB 4.24Å; F22-E34 HydrophobicContact CZ-CG 4.47Å; S30-E34 WeakPolarHBondContact O-CB 3.26Å; S30-E34 PolarHBondContact O-N 3.34Å; R32-E34 VanDerWaalsContact C-N 3.32Å; R32-E34 PolarHBondContact O-N 2.87Å; E34-K36 VanDerWaalsContact C-N 3.28Å; E34-K36 PolarHBondContact O-N 3.47Å; E34-R37 VanDerWaalsContact CD-NH2 3.35Å; E34-R37 PolarHBondContact O-N 3.26Å; E34-R37 IonicContact OE1-CZ 3Å; E34-R37 IonicContact OE1-NE 2.72Å; E34-R37 IonicContact OE1-NH2 3.41Å; E34-R37 PolarHBondContact OE1-NH2 3.32Å; E34-R37 IonicContact OE2-CZ 3.57Å; E34-R37 IonicContact OE2-NE 2.7Å; E34-R37 PolarHBondContact OE2-NE 3Å; E34-R37 IonicContact OE2-NH2 3.63Å; E34-R37 PolarHBondContact OE2-NH2 2.76Å; E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 3.22Å
35A98.5Very high96.7Very high3 Ų367 Ų673%0.02537%0.365CS..Hα-helixtrans-61.6-39.4178.900000111.8A31 R32 T39 V46 V58 I62A31-A35 VanDerWaalsContact O-CB 3.23Å; A31-A35 WeakPolarHBondContact O-CB 3.33Å; A31-A35 PolarHBondContact O-N 3.25Å; R32-A35 PolarHBondContact O-N 2.75Å; A35-T39 WeakPolarHBondContact O-CB 3.48Å; A35-T39 PolarHBondContact O-N 3.49Å; A35-T39 PolarHBondContact O-OG1 3.04Å; A35-V46 HydrophobicContact CB-CG1 4.42Å; A35-V58 HydrophobicContact CB-CB 4.19Å; A35-V58 HydrophobicContact CB-CG1 3.87Å; A35-V58 HydrophobicContact CB-CG2 4.23Å; A35-I62 HydrophobicContact CB-CG2 3.97Å
36K98.3Very high96.9Very high96 Ų9664.4 Ų64.442%0.41735%0.35SS..Hα-helixtrans-60.8-51.9172-179.1176.4174.51800111.2R32 E34 A38 T39 E40 G61 L65R32-K36 PolarHBondContact O-N 3.07Å; E34-K36 VanDerWaalsContact C-N 3.28Å; E34-K36 PolarHBondContact O-N 3.47Å; K36-A38 VanDerWaalsContact C-N 3.35Å; K36-A38 PolarHBondContact O-N 3.18Å; K36-T39 PolarHBondContact O-N 3.15Å; K36-E40 WeakPolarHBondContact CE-OE1 3.4Å; K36-E40 HydrophobicContact CG-CG 4.47Å; K36-E40 IonicContact NZ-OE1 2.79Å; K36-E40 WeakPolarHBondContact O-CG 3.48Å; K36-E40 PolarHBondContact O-N 3.32Å; K36-G61 WeakPolarHBondContact CB-O 3.45Å; K36-L65 HydrophobicContact CG-CD1 4.39Å
37R98.2Very high97.2Very high116 Ų11660.2 Ų60.244%0.43832%0.319SS..Hα-helixtrans-57.3-45.5178.8-173.9-156.465.569.5-1.6112D33 E34 E40 A41D33-R37 WeakPolarHBondContact O-CB 3.41Å; D33-R37 PolarHBondContact O-N 2.97Å; E34-R37 VanDerWaalsContact CD-NH2 3.35Å; E34-R37 PolarHBondContact O-N 3.26Å; E34-R37 IonicContact OE1-CZ 3Å; E34-R37 IonicContact OE1-NE 2.72Å; E34-R37 IonicContact OE1-NH2 3.41Å; E34-R37 PolarHBondContact OE1-NH2 3.32Å; E34-R37 IonicContact OE2-CZ 3.57Å; E34-R37 IonicContact OE2-NE 2.7Å; E34-R37 PolarHBondContact OE2-NE 3Å; E34-R37 IonicContact OE2-NH2 3.63Å; E34-R37 PolarHBondContact OE2-NH2 2.76Å; R37-E40 PolarHBondContact O-N 3.48Å; R37-A41 WeakPolarHBondContact O-CB 3.36Å; R37-A41 PolarHBondContact O-N 3.05Å
38A98.1Very high97.4Very high9 Ų954 Ų547%0.07429%0.291CS..Hα-helixtrans-63.4-41.9178.200000111.4E34 K36 A41 G42 F43 V46E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 3.22Å; K36-A38 VanDerWaalsContact C-N 3.35Å; K36-A38 PolarHBondContact O-N 3.18Å; A38-A41 PolarHBondContact O-N 3.42Å; A38-G42 PolarHBondContact O-N 3.12Å; A38-F43 HydrophobicContact CB-CD2 4.14Å; A38-F43 HydrophobicContact CB-CG 4.23Å; A38-F43 WeakPolarHBondContact O-CB 3.4Å; A38-F43 WeakPolarHBondContact O-CD2 3.25Å; A38-F43 PolarHBondContact O-N 2.85Å; A38-V46 HydrophobicContact CB-CG2 4.37Å
39T98Very high97.7Very high14 Ų1451.1 Ų51.19%0.08628%0.275CS..Hα-helixtrans-63.9-45.4176-570000111.9A35 K36 A41 G42 I62 L65 K67 P69A35-T39 WeakPolarHBondContact O-CB 3.48Å; A35-T39 PolarHBondContact O-N 3.49Å; A35-T39 PolarHBondContact O-OG1 3.04Å; K36-T39 PolarHBondContact O-N 3.15Å; T39-A41 PolarHBondContact O-N 3.04Å; T39-G42 PolarHBondContact O-N 3.17Å; T39-I62 VanDerWaalsContact OG1-CG2 3.22Å; T39-I62 WeakPolarHBondContact OG1-CG2 3.21Å; T39-L65 VanDerWaalsContact CB-CD1 3.5Å; T39-L65 HydrophobicContact CG2-CB 4.38Å; T39-L65 HydrophobicContact CG2-CD1 3.31Å; T39-L65 HydrophobicContact CG2-CG 4.47Å; T39-K67 VanDerWaalsContact CG2-O 3.29Å; T39-K67 WeakPolarHBondContact CG2-O 3.39Å; T39-P69 HydrophobicContact CG2-CG 4.46Å; T39-P69 WeakPolarHBondContact OG1-CD 3.25Å
40E97.7Very high97.7Very high125 Ų12548.5 Ų48.558%0.58426%0.263SS*.Hα-helixtrans-63.9-27.3176.6-71.2174.6166.400112.5K36 R37 G42K36-E40 WeakPolarHBondContact CE-OE1 3.4Å; K36-E40 HydrophobicContact CG-CG 4.47Å; K36-E40 IonicContact NZ-OE1 2.79Å; K36-E40 WeakPolarHBondContact O-CG 3.48Å; K36-E40 PolarHBondContact O-N 3.32Å; R37-E40 PolarHBondContact O-N 3.48Å; E40-G42 PolarHBondContact O-N 3.34Å
41A97.6Very high97.4Very high66 Ų6648.7 Ų48.755%0.54527%0.266SS..THydrogen-bonded Turntrans-77.7-3.1172.400000113.8R37 A38 T39 F43R37-A41 WeakPolarHBondContact O-CB 3.36Å; R37-A41 PolarHBondContact O-N 3.05Å; A38-A41 PolarHBondContact O-N 3.42Å; T39-A41 PolarHBondContact O-N 3.04Å; A41-F43 HydrophobicContact CB-CD2 4.05Å; A41-F43 HydrophobicContact CB-CE2 4.11Å
42G97.2Very high97Very high46 Ų4649.7 Ų49.747%0.47427%0.27SS..THydrogen-bonded Turntrans86.820.717400000115.2A38 T39 E40A38-G42 PolarHBondContact O-N 3.12Å; T39-G42 PolarHBondContact O-N 3.17Å; E40-G42 PolarHBondContact O-N 3.34Å
43F98.1Very high96.6Very high74 Ų7447.7 Ų47.733%0.32528%0.276SS..  trans-60.6137.3173.4-80.5-113.8000110.9A38 A41 P69A38-F43 HydrophobicContact CB-CD2 4.14Å; A38-F43 HydrophobicContact CB-CG 4.23Å; A38-F43 WeakPolarHBondContact O-CB 3.4Å; A38-F43 WeakPolarHBondContact O-CD2 3.25Å; A38-F43 PolarHBondContact O-N 2.85Å; A41-F43 HydrophobicContact CB-CD2 4.05Å; A41-F43 HydrophobicContact CB-CE2 4.11Å; F43-P69 WeakPolarHBondContact O-CB 3.32Å
44D97.3Very high96.5Very high119 Ų11945.9 Ų45.964%0.63627%0.268SS*.SBendtrans-82.1-28.1178-57.4-71.2000113P69 Q70D44-P69 CarbonylContact O-C 3.59Å; D44-P69 WeakPolarHBondContact O-CA 3.32Å; D44-P69 WeakPolarHBondContact O-CB 3.38Å; D44-Q70 PolarHBondContact O-N 2.75Å
45L98.1Very high96.3Very high18 Ų1844 Ų449%0.09426%0.26CS..EExtended strand (participates in β ladder)trans-135.9129.9-176.7175.357.6000110.6Y17 I47 Q70 A72 I100 F281Y17-L45 HydrophobicContact CD1-CB 4.42Å; Y17-L45 HydrophobicContact CD1-CD2 4.23Å; Y17-L45 HydrophobicContact CE1-CB 3.94Å; Y17-L45 HydrophobicContact CE1-CD2 3.78Å; Y17-L45 HydrophobicContact CE2-CD2 4.12Å; L45-I47 HydrophobicContact CD1-CG1 4.29Å; L45-I47 HydrophobicContact CD2-CD1 4.03Å; L45-I47 HydrophobicContact CD2-CG1 4.07Å; L45-I47 HydrophobicContact CG-CD1 4.34Å; L45-I47 HydrophobicContact CG-CG1 3.85Å; L45-Q70 WeakPolarHBondContact CA-O 3.49Å; L45-Q70 HydrophobicContact CD1-CB 4.15Å; L45-Q70 WeakPolarHBondContact CD1-O 3.2Å; L45-A72 HydrophobicContact CD1-CB 3.99Å; L45-I100 HydrophobicContact CD2-CG2 4.09Å; L45-F281 HydrophobicContact CD1-CD2 3.88Å; L45-F281 HydrophobicContact CD1-CE2 3.72Å; L45-F281 HydrophobicContact CD2-CE2 4.23Å
46V98.4Very high96.1Very high16 Ų1645.3 Ų45.310%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-114.1126.6169.7173.40000109.6A35 A38 V58 P69 Q70 M71 A72A35-V46 HydrophobicContact CB-CG1 4.42Å; A38-V46 HydrophobicContact CB-CG2 4.37Å; V46-V58 HydrophobicContact CG1-CG1 3.64Å; V46-P69 HydrophobicContact CB-CG 4.06Å; V46-P69 HydrophobicContact CG2-CB 4.02Å; V46-P69 HydrophobicContact CG2-CG 3.54Å; V46-Q70 PolarHBondContact N-O 2.65Å; V46-M71 WeakPolarHBondContact O-CA 3.33Å; V46-A72 PolarHBondContact O-N 3.07Å
47I98.1Very high96Very high49 Ų4943.5 Ų43.525%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-110.7114.4-176.6-49.2-179.1000110L12 L45 A49 A72 I74 I100L12-I47 HydrophobicContact CD1-CD1 3.47Å; L12-I47 VanDerWaalsContact CD1-CD1 3.47Å; L12-I47 HydrophobicContact CD2-CD1 3.76Å; L12-I47 HydrophobicContact CG-CD1 4.29Å; L45-I47 HydrophobicContact CD1-CG1 4.29Å; L45-I47 HydrophobicContact CD2-CD1 4.03Å; L45-I47 HydrophobicContact CD2-CG1 4.07Å; L45-I47 HydrophobicContact CG-CD1 4.34Å; L45-I47 HydrophobicContact CG-CG1 3.85Å; I47-A49 PolarHBondContact O-N 2.73Å; I47-A72 CarbonylContact C-O 3.6Å; I47-A72 WeakPolarHBondContact CA-O 3.41Å; I47-A72 HydrophobicContact CG1-CB 4.19Å; I47-A72 HydrophobicContact CG2-CB 4.29Å; I47-I74 HydrophobicContact CG2-CD1 3.81Å; I47-I74 HydrophobicContact CG2-CG1 3.81Å; I47-I100 HydrophobicContact CD1-CD1 3.74Å; I47-I100 HydrophobicContact CG1-CD1 4.43Å
48A97.7Very high96Very high2 Ų238.4 Ų38.42%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-86105.8174.900000111I55 V58 M71 A72 I73 I74A48-I55 HydrophobicContact CB-CG1 4.14Å; A48-V58 HydrophobicContact CB-CB 4.32Å; A48-V58 HydrophobicContact CB-CG2 3.98Å; A48-M71 HydrophobicContact CB-CE 3.66Å; A48-A72 PolarHBondContact N-O 3.26Å; A48-I73 WeakPolarHBondContact O-CA 3.38Å; A48-I74 PolarHBondContact O-N 2.92Å
49A96.9Very high96Very high39 Ų3938 Ų3832%0.32224%0.237SC..EExtended strand (participates in β ladder)trans-97.385.9174.200000111.4M1 I47 I74M1-A49 HydrophobicContact CE-CB 3.97Å; M1-A49 HydrophobicContact CG-CB 4.08Å; M1-A49 HydrophobicContact SD-CB 3.93Å; I47-A49 PolarHBondContact O-N 2.73Å; A49-I74 WeakPolarHBondContact CA-O 3.36Å; A49-I74 HydrophobicContact CB-CB 3.99Å; A49-I74 HydrophobicContact CB-CG2 4.44Å
50G94.3Very high96Very high6 Ų638.3 Ų38.36%0.06224%0.238CC..EExtended strand (participates in β ladder)trans-171-160.3-172.100000113.8I74 T76 G77G50-I74 PolarHBondContact N-O 3.39Å; G50-I74 VanDerWaalsContact N-O 3.17Å; G50-T76 VanDerWaalsContact CA-OG1 3.28Å; G50-T76 WeakPolarHBondContact CA-OG1 3.38Å; G50-T76 PolarHBondContact N-OG1 3.15Å; G50-T76 PolarHBondContact O-N 3.21Å; G50-G77 PolarHBondContact O-N 3.04Å
51G91.4Very high96Very high15 Ų1532.5 Ų32.516%0.15521%0.212CC..  trans-96.6-173.3169.100000112.1G53 T54 I55G51-G53 VanDerWaalsContact C-N 3.26Å; G51-G53 PolarHBondContact O-N 3.03Å; G51-T54 WeakPolarHBondContact O-CB 3.33Å; G51-T54 PolarHBondContact O-N 3.19Å; G51-I55 WeakPolarHBondContact O-CG1 3.33Å; G51-I55 PolarHBondContact O-N 2.77Å; G51-I55 VanDerWaalsContact O-N 3.09Å
52D88.2Confident96Very high29 Ų2929.4 Ų29.416%0.15519%0.186CC..Hα-helixtrans-55.9-36.5-177.5-57.6-68000113.3I55 N56 N80 D81 F82D52-I55 PolarHBondContact O-N 3.16Å; D52-N56 WeakPolarHBondContact O-CB 3.4Å; D52-N56 PolarHBondContact O-N 3.09Å; D52-N80 WeakPolarHBondContact OD2-CA 3.48Å; D52-N80 PolarHBondContact OD2-N 2.89Å; D52-D81 PolarHBondContact OD1-N 2.69Å; D52-D81 PolarHBondContact OD2-N 3.07Å; D52-F82 PolarHBondContact OD1-N 3.46Å; D52-F82 VanDerWaalsContact OD1-N 3.15Å
53G90.3Very high96.1Very high44 Ų4427.3 Ų27.345%0.45416%0.164SC..Hα-helixtrans-64.7-39.7174.900000113.7G51 I55 N56 E57G51-G53 VanDerWaalsContact C-N 3.26Å; G51-G53 PolarHBondContact O-N 3.03Å; G53-I55 VanDerWaalsContact C-N 3.35Å; G53-N56 PolarHBondContact O-N 3.19Å; G53-E57 PolarHBondContact O-N 3.18Å
54T94.8Very high96Very high39 Ų3927.3 Ų27.324%0.23917%0.172CC..Hα-helixtrans-65.5-40.5174.7-51.50000111.1A31 G51 E57 V58A31-T54 HydrophobicContact CB-CG2 4.12Å; G51-T54 WeakPolarHBondContact O-CB 3.33Å; G51-T54 PolarHBondContact O-N 3.19Å; T54-E57 PolarHBondContact O-N 2.82Å; T54-V58 WeakPolarHBondContact O-CG2 3.3Å; T54-V58 PolarHBondContact O-N 3.01Å
55I95.3Very high96Very high0 Ų023.3 Ų23.30%015%0.15CC..Hα-helixtrans-63.1-46.2176.7-59.7167.4000109.5A48 G51 D52 G53 E57 V58 V59 M71 I73 F82 I120A48-I55 HydrophobicContact CB-CG1 4.14Å; G51-I55 WeakPolarHBondContact O-CG1 3.33Å; G51-I55 PolarHBondContact O-N 2.77Å; G51-I55 VanDerWaalsContact O-N 3.09Å; D52-I55 PolarHBondContact O-N 3.16Å; G53-I55 VanDerWaalsContact C-N 3.35Å; I55-E57 PolarHBondContact O-N 3.2Å; I55-V58 PolarHBondContact O-N 3.05Å; I55-V59 WeakPolarHBondContact O-CG2 3.32Å; I55-V59 PolarHBondContact O-N 3.46Å; I55-M71 HydrophobicContact CB-CE 4.33Å; I55-M71 HydrophobicContact CG2-CE 3.58Å; I55-I73 HydrophobicContact CD1-CB 4.48Å; I55-I73 HydrophobicContact CD1-CD1 3.99Å; I55-I73 HydrophobicContact CD1-CG1 4.11Å; I55-I73 HydrophobicContact CD1-CG2 3.54Å; I55-I73 HydrophobicContact CG1-CD1 4.4Å; I55-I73 HydrophobicContact CG1-CG1 4.18Å; I55-I73 HydrophobicContact CG1-CG2 4.1Å; I55-I73 HydrophobicContact CG2-CD1 3.97Å; I55-I73 HydrophobicContact CG2-CG1 4.3Å; I55-F82 HydrophobicContact CD1-CB 4.5Å; I55-F82 HydrophobicContact CG2-CD1 4.11Å; I55-I120 HydrophobicContact CB-CD1 4.13Å; I55-I120 HydrophobicContact CG2-CD1 3.52Å
56N94.6Very high95.8Very high29 Ų2928.1 Ų28.116%0.15519%0.186CC..Hα-helixtrans-60.5-43.5176.7178.4-80.5000112.3D52 G53 V59 N60 Y118 D260D52-N56 WeakPolarHBondContact O-CB 3.4Å; D52-N56 PolarHBondContact O-N 3.09Å; G53-N56 PolarHBondContact O-N 3.19Å; N56-V59 PolarHBondContact O-N 3.38Å; N56-N60 PolarHBondContact O-N 3.12Å; N56-N60 PolarHBondContact O-ND2 3.14Å; N56-N60 PolarHBondContact OD1-ND2 3Å; N56-Y118 PolarHBondContact ND2-O 3Å; N56-Y118 VanDerWaalsContact ND2-O 3.16Å; N56-D260 PolarHBondContact ND2-OD2 3.08Å
57E96.6Very high95.6Very high59 Ų5935.3 Ų35.328%0.27622%0.215SC..Hα-helixtrans-60.1-47.4175.5-83.3-168-145.100111.8N29 S30 A31 R32 G53 T54 I55 V59 N60 G61N29-E57 VanDerWaalsContact CA-OE2 3.29Å; N29-E57 WeakPolarHBondContact CA-OE2 3.45Å; S30-E57 PolarHBondContact N-OE2 3Å; A31-E57 HydrophobicContact CB-CB 3.83Å; A31-E57 WeakPolarHBondContact CB-OE2 3.13Å; A31-E57 PolarHBondContact N-OE2 3.4Å; R32-E57 WeakPolarHBondContact CA-O 3.46Å; R32-E57 HydrophobicContact CB-CB 4.17Å; R32-E57 VanDerWaalsContact CB-O 3.24Å; R32-E57 WeakPolarHBondContact CB-O 3.34Å; R32-E57 WeakPolarHBondContact CG-O 3.47Å; R32-E57 PolarHBondContact N-OE2 2.98Å; G53-E57 PolarHBondContact O-N 3.18Å; T54-E57 PolarHBondContact O-N 2.82Å; I55-E57 PolarHBondContact O-N 3.2Å; E57-V59 VanDerWaalsContact C-N 3.31Å; E57-V59 PolarHBondContact O-N 3.47Å; E57-N60 PolarHBondContact O-N 3.1Å; E57-G61 PolarHBondContact O-N 2.93Å
58V98.1Very high95.6Very high8 Ų836.9 Ų36.95%0.04822%0.218CC..Hα-helixtrans-58.9-44.4176.71700000110.7A31 A35 V46 A48 T54 I55 N60 G61 I62 M71A31-V58 HydrophobicContact CB-CG2 4.09Å; A35-V58 HydrophobicContact CB-CB 4.19Å; A35-V58 HydrophobicContact CB-CG1 3.87Å; A35-V58 HydrophobicContact CB-CG2 4.23Å; V46-V58 HydrophobicContact CG1-CG1 3.64Å; A48-V58 HydrophobicContact CB-CB 4.32Å; A48-V58 HydrophobicContact CB-CG2 3.98Å; T54-V58 WeakPolarHBondContact O-CG2 3.3Å; T54-V58 PolarHBondContact O-N 3.01Å; I55-V58 PolarHBondContact O-N 3.05Å; V58-N60 PolarHBondContact O-N 2.79Å; V58-G61 WeakPolarHBondContact O-CA 3.4Å; V58-G61 PolarHBondContact O-N 2.9Å; V58-I62 PolarHBondContact O-N 3.22Å; V58-I62 VanDerWaalsContact O-N 3.16Å; V58-M71 HydrophobicContact CB-CE 3.93Å; V58-M71 HydrophobicContact CG1-CE 3.65Å; V58-M71 HydrophobicContact CG1-SD 3.88Å
59V97.7Very high95.6Very high0 Ų037.2 Ų37.20%022%0.22CC..Hα-helixtrans-59.2-44.6175.5164.90000111.7I55 N56 E57 G61 I62 A63 M71 I110 I120 I278 F280I55-V59 WeakPolarHBondContact O-CG2 3.32Å; I55-V59 PolarHBondContact O-N 3.46Å; N56-V59 PolarHBondContact O-N 3.38Å; E57-V59 VanDerWaalsContact C-N 3.31Å; E57-V59 PolarHBondContact O-N 3.47Å; V59-G61 PolarHBondContact O-N 2.86Å; V59-I62 PolarHBondContact O-N 3.26Å; V59-A63 HydrophobicContact CG1-CB 4.35Å; V59-A63 WeakPolarHBondContact O-CB 3.29Å; V59-A63 PolarHBondContact O-N 3.16Å; V59-M71 HydrophobicContact CG2-CE 4.09Å; V59-M71 HydrophobicContact CG2-SD 3.67Å; V59-I110 HydrophobicContact CG1-CD1 4.1Å; V59-I110 HydrophobicContact CG1-CG2 4.38Å; V59-I120 HydrophobicContact CB-CG2 4.09Å; V59-I120 HydrophobicContact CG1-CG2 3.77Å; V59-I120 HydrophobicContact CG2-CG2 3.85Å; V59-I278 HydrophobicContact CB-CD1 4.23Å; V59-I278 HydrophobicContact CG1-CD1 3.69Å; V59-I278 HydrophobicContact CG2-CD1 3.93Å; V59-F280 HydrophobicContact CG2-CE1 4.46Å; V59-F280 HydrophobicContact CG2-CZ 4.02Å
60N97.7Very high95.6Very high22 Ų2238.3 Ų38.312%0.11822%0.218CC..Hα-helixtrans-63.1-24.6175.5-84.4-94000113R32 N56 E57 V58 P64 Y118R32-N60 HydrophobicContact CG-CB 3.98Å; N56-N60 PolarHBondContact O-N 3.12Å; N56-N60 PolarHBondContact O-ND2 3.14Å; N56-N60 PolarHBondContact OD1-ND2 3Å; E57-N60 PolarHBondContact O-N 3.1Å; V58-N60 PolarHBondContact O-N 2.79Å; N60-P64 WeakPolarHBondContact O-CD 3.32Å; N60-Y118 PolarHBondContact ND2-O 3.03Å; N60-Y118 PolarHBondContact OD1-N 2.96Å
61G97.9Very high95.8Very high3 Ų338 Ų383%0.03122%0.216CC..Hα-helixtrans-77.9-32.9177.200000113.3R32 K36 E57 V58 V59R32-G61 WeakPolarHBondContact O-CA 3.41Å; K36-G61 WeakPolarHBondContact CB-O 3.45Å; E57-G61 PolarHBondContact O-N 2.93Å; V58-G61 WeakPolarHBondContact O-CA 3.4Å; V58-G61 PolarHBondContact O-N 2.9Å; V59-G61 PolarHBondContact O-N 2.86Å
62I98.1Very high96.1Very high0 Ų037.4 Ų37.40%021%0.209CC..Hα-helixtrans-103.2-32.5-174.471.7179.9000113.5A35 T39 V58 V59 L65 R68 P69 M71 I278A35-I62 HydrophobicContact CB-CG2 3.97Å; T39-I62 VanDerWaalsContact OG1-CG2 3.22Å; T39-I62 WeakPolarHBondContact OG1-CG2 3.21Å; V58-I62 PolarHBondContact O-N 3.22Å; V58-I62 VanDerWaalsContact O-N 3.16Å; V59-I62 PolarHBondContact O-N 3.26Å; I62-L65 WeakPolarHBondContact O-CB 3.44Å; I62-L65 PolarHBondContact O-N 3.43Å; I62-R68 VanDerWaalsContact O-CD 3.29Å; I62-R68 WeakPolarHBondContact O-CD 3.28Å; I62-R68 VanDerWaalsContact O-CG 3.3Å; I62-R68 WeakPolarHBondContact O-CG 3.12Å; I62-P69 HydrophobicContact CD1-CG 4.42Å; I62-P69 HydrophobicContact CG2-CG 4.19Å; I62-M71 HydrophobicContact CD1-SD 4.11Å; I62-I278 HydrophobicContact CD1-CD1 4.11Å; I62-I278 HydrophobicContact CD1-CG2 4.24Å; I62-I278 HydrophobicContact CG1-CD1 4.02Å
63A97.8Very high96.5Very high2 Ų236.2 Ų36.22%0.01720%0.203CC..THydrogen-bonded Turntrans-55.5-37.9-175.900000114.7V59 L65 I110 Y118 H277 I278V59-A63 HydrophobicContact CG1-CB 4.35Å; V59-A63 WeakPolarHBondContact O-CB 3.29Å; V59-A63 PolarHBondContact O-N 3.16Å; A63-L65 PolarHBondContact O-N 3.42Å; A63-I110 HydrophobicContact CB-CD1 3.53Å; A63-Y118 HydrophobicContact CB-CD1 3.58Å; A63-Y118 HydrophobicContact CB-CD2 4Å; A63-Y118 HydrophobicContact CB-CE1 3.67Å; A63-Y118 HydrophobicContact CB-CE2 4.14Å; A63-Y118 HydrophobicContact CB-CG 3.73Å; A63-H277 PolarHBondContact O-NE2 2.78Å; A63-I278 HydrophobicContact CB-CD1 4.31Å
64P97Very high96.9Very high74 Ų7434.2 Ų34.248%0.48118%0.182SC..THydrogen-bonded Turntrans-68-16.2177.6-18.730000115N60 Y118N60-P64 WeakPolarHBondContact O-CD 3.32Å; P64-Y118 HydrophobicContact CG-CE2 3.64Å
65L96.6Very high96.8Very high35 Ų3532.6 Ų32.618%0.18317%0.172CC..SBendtrans-87146.4-169-55.8176000111K36 T39 I62 A63 R68K36-L65 HydrophobicContact CG-CD1 4.39Å; T39-L65 VanDerWaalsContact CB-CD1 3.5Å; T39-L65 HydrophobicContact CG2-CB 4.38Å; T39-L65 HydrophobicContact CG2-CD1 3.31Å; T39-L65 HydrophobicContact CG2-CG 4.47Å; I62-L65 WeakPolarHBondContact O-CB 3.44Å; I62-L65 PolarHBondContact O-N 3.43Å; A63-L65 PolarHBondContact O-N 3.42Å; L65-R68 HydrophobicContact CB-CG 4.46Å; L65-R68 VanDerWaalsContact O-CG 3.25Å; L65-R68 WeakPolarHBondContact O-CG 3.47Å; L65-R68 PolarHBondContact O-NH1 3.18Å
66S93.6Very high96.7Very high120 Ų12035.4 Ų35.484%0.83919%0.189SC*.SBendtrans-70.5-45.4-178.952.80000112.4R68S66-R68 PolarHBondContact O-NH1 3.44Å
67K95Very high96.3Very high166 Ų16635.4 Ų35.472%0.72220%0.196SC*.SBendtrans-100.9115171.7-172.5177.8-179.4-176.40108.6T39T39-K67 VanDerWaalsContact CG2-O 3.29Å; T39-K67 WeakPolarHBondContact CG2-O 3.39Å
68R97.6Very high95.5Very high83 Ų8337.8 Ų37.831%0.31321%0.214SC..  trans-112.2139.9-176.5-63.2-179.4-68.5-72.1-0.3109.7I62 L65 S66 H277I62-R68 VanDerWaalsContact O-CD 3.29Å; I62-R68 WeakPolarHBondContact O-CD 3.28Å; I62-R68 VanDerWaalsContact O-CG 3.3Å; I62-R68 WeakPolarHBondContact O-CG 3.12Å; L65-R68 HydrophobicContact CB-CG 4.46Å; L65-R68 VanDerWaalsContact O-CG 3.25Å; L65-R68 WeakPolarHBondContact O-CG 3.47Å; L65-R68 PolarHBondContact O-NH1 3.18Å; S66-R68 PolarHBondContact O-NH1 3.44Å; R68-H277 VanDerWaalsContact CZ-O 3.3Å; R68-H277 PolarHBondContact NE-O 3.39Å; R68-H277 PolarHBondContact NH2-O 2.87Å
69P98Very high94.4Very high8 Ų839.7 Ų39.75%0.05223%0.226CC..  trans-67.9161.1170.431.7-35.4000109.6T39 F43 D44 V46 I62T39-P69 HydrophobicContact CG2-CG 4.46Å; T39-P69 WeakPolarHBondContact OG1-CD 3.25Å; F43-P69 WeakPolarHBondContact O-CB 3.32Å; D44-P69 CarbonylContact O-C 3.59Å; D44-P69 WeakPolarHBondContact O-CA 3.32Å; D44-P69 WeakPolarHBondContact O-CB 3.38Å; V46-P69 HydrophobicContact CB-CG 4.06Å; V46-P69 HydrophobicContact CG2-CB 4.02Å; V46-P69 HydrophobicContact CG2-CG 3.54Å; I62-P69 HydrophobicContact CD1-CG 4.42Å; I62-P69 HydrophobicContact CG2-CG 4.19Å
70Q97.9Very high93.8Very high62 Ų6240.2 Ų40.229%0.2923%0.229SC..EExtended strand (participates in β ladder)trans-64.3155.1159-65.2-179.6-44.800109.2D44 L45 V46 T279 F281D44-Q70 PolarHBondContact O-N 2.75Å; L45-Q70 WeakPolarHBondContact CA-O 3.49Å; L45-Q70 HydrophobicContact CD1-CB 4.15Å; L45-Q70 WeakPolarHBondContact CD1-O 3.2Å; V46-Q70 PolarHBondContact N-O 2.65Å; Q70-T279 WeakPolarHBondContact CA-O 3.43Å; Q70-T279 HydrophobicContact CG-CG2 4.07Å; Q70-F281 HydrophobicContact CB-CD2 4.38Å; Q70-F281 HydrophobicContact CB-CE2 3.9Å
71M98Very high93Very high0 Ų039.8 Ų39.80%023%0.227CC..EExtended strand (participates in β ladder)trans-119.4136.3179.8-170.6167.6168.100111.1V46 A48 I55 V58 V59 I62 I73 I278 T279 F280 F281V46-M71 WeakPolarHBondContact O-CA 3.33Å; A48-M71 HydrophobicContact CB-CE 3.66Å; I55-M71 HydrophobicContact CB-CE 4.33Å; I55-M71 HydrophobicContact CG2-CE 3.58Å; V58-M71 HydrophobicContact CB-CE 3.93Å; V58-M71 HydrophobicContact CG1-CE 3.65Å; V58-M71 HydrophobicContact CG1-SD 3.88Å; V59-M71 HydrophobicContact CG2-CE 4.09Å; V59-M71 HydrophobicContact CG2-SD 3.67Å; I62-M71 HydrophobicContact CD1-SD 4.11Å; M71-I73 HydrophobicContact CE-CG1 4.33Å; M71-I278 HydrophobicContact CB-CG2 4.09Å; M71-T279 PolarHBondContact N-O 3.35Å; M71-F280 HydrophobicContact CB-CD1 3.73Å; M71-F280 HydrophobicContact CB-CE1 3.83Å; M71-F280 HydrophobicContact CB-CG 4.46Å; M71-F280 HydrophobicContact CE-CE1 4.05Å; M71-F280 HydrophobicContact CG-CD1 3.89Å; M71-F280 HydrophobicContact CG-CE1 3.71Å; M71-F280 CarbonylContact O-C 3.51Å; M71-F280 VanDerWaalsContact O-CA 3.25Å; M71-F280 WeakPolarHBondContact O-CA 3.31Å; M71-F280 HydrophobicContact SD-CD1 4.14Å; M71-F280 HydrophobicContact SD-CE1 3.32Å; M71-F280 WeakPolarHBondContact SD-CE1 3.37Å; M71-F280 HydrophobicContact SD-CZ 3.97Å; M71-F281 PolarHBondContact O-N 2.9Å
72A97.8Very high92.5Very high2 Ų239.6 Ų39.62%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-126.2161.3168.500000110.6L45 V46 I47 A48 I100 F281L45-A72 HydrophobicContact CD1-CB 3.99Å; V46-A72 PolarHBondContact O-N 3.07Å; I47-A72 CarbonylContact C-O 3.6Å; I47-A72 WeakPolarHBondContact CA-O 3.41Å; I47-A72 HydrophobicContact CG1-CB 4.19Å; I47-A72 HydrophobicContact CG2-CB 4.29Å; A48-A72 PolarHBondContact N-O 3.26Å; A72-I100 HydrophobicContact CB-CD1 3.63Å; A72-I100 HydrophobicContact CB-CG1 3.73Å; A72-F281 HydrophobicContact CB-CB 3.94Å; A72-F281 HydrophobicContact CB-CD2 4.04Å; A72-F281 HydrophobicContact CB-CG 4.24Å
73I97.1Very high92.1Very high4 Ų439.6 Ų39.62%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-130134-173.8-64.4157.7000109.9A48 I55 M71 P75 F82 A83 L86 I88 F280A48-I73 WeakPolarHBondContact O-CA 3.38Å; I55-I73 HydrophobicContact CD1-CB 4.48Å; I55-I73 HydrophobicContact CD1-CD1 3.99Å; I55-I73 HydrophobicContact CD1-CG1 4.11Å; I55-I73 HydrophobicContact CD1-CG2 3.54Å; I55-I73 HydrophobicContact CG1-CD1 4.4Å; I55-I73 HydrophobicContact CG1-CG1 4.18Å; I55-I73 HydrophobicContact CG1-CG2 4.1Å; I55-I73 HydrophobicContact CG2-CD1 3.97Å; I55-I73 HydrophobicContact CG2-CG1 4.3Å; M71-I73 HydrophobicContact CE-CG1 4.33Å; I73-P75 HydrophobicContact CG2-CB 4.43Å; I73-F82 HydrophobicContact CD1-CD1 3.39Å; I73-F82 HydrophobicContact CD1-CE1 3.7Å; I73-A83 HydrophobicContact CG2-CB 4.25Å; I73-L86 HydrophobicContact CD1-CD1 3.92Å; I73-I88 HydrophobicContact CB-CD1 3.82Å; I73-I88 HydrophobicContact CD1-CD1 4.42Å; I73-F280 HydrophobicContact CD1-CD1 4.24Å; I73-F280 HydrophobicContact CD1-CE1 4.4Å
74I97.3Very high91.5Very high3 Ų342 Ų422%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-11495.7168.4-61.8178.2000106.8M1 V8 I47 A48 A49 G50 T76 P93 A96 A97M1-I74 HydrophobicContact CE-CD1 4.3Å; M1-I74 HydrophobicContact SD-CG2 4Å; V8-I74 HydrophobicContact CG1-CD1 3.63Å; V8-I74 HydrophobicContact CG2-CD1 4.42Å; I47-I74 HydrophobicContact CG2-CD1 3.81Å; I47-I74 HydrophobicContact CG2-CG1 3.81Å; A48-I74 PolarHBondContact O-N 2.92Å; A49-I74 WeakPolarHBondContact CA-O 3.36Å; A49-I74 HydrophobicContact CB-CB 3.99Å; A49-I74 HydrophobicContact CB-CG2 4.44Å; G50-I74 PolarHBondContact N-O 3.39Å; G50-I74 VanDerWaalsContact N-O 3.17Å; I74-T76 HydrophobicContact CG2-CG2 4.17Å; I74-T76 PolarHBondContact O-N 3.29Å; I74-T76 VanDerWaalsContact O-N 3.12Å; I74-P93 HydrophobicContact CG2-CB 3.63Å; I74-P93 HydrophobicContact CG2-CG 4.46Å; I74-A96 HydrophobicContact CG1-CB 4.45Å; I74-A96 HydrophobicContact CG2-CB 4.28Å; I74-A97 HydrophobicContact CD1-CB 4.17Å
75P94.1Very high90.8Very high5 Ų539.1 Ų39.13%0.03222%0.216CC..EExtended strand (participates in β ladder)trans-73.3109.6-169.828.4-33.4000110.8I73 N80 A83 I88 P89 R90I73-P75 HydrophobicContact CG2-CB 4.43Å; P75-N80 HydrophobicContact CB-CB 3.85Å; P75-A83 HydrophobicContact CB-CB 3.61Å; P75-A83 HydrophobicContact CG-CB 3.9Å; P75-I88 HydrophobicContact CG-CG2 4.06Å; P75-P89 WeakPolarHBondContact CG-O 3.41Å; P75-R90 HydrophobicContact CB-CG 4.19Å; P75-R90 HydrophobicContact CG-CB 4.46Å; P75-R90 HydrophobicContact CG-CG 3.84Å
76T92Very high90.5Very high58 Ų5837.4 Ų37.436%0.35621%0.207SC..  trans-124.15.5179.5600000113.1M1 G50 I74 P93M1-T76 HydrophobicContact CB-CG2 4.2Å; G50-T76 VanDerWaalsContact CA-OG1 3.28Å; G50-T76 WeakPolarHBondContact CA-OG1 3.38Å; G50-T76 PolarHBondContact N-OG1 3.15Å; G50-T76 PolarHBondContact O-N 3.21Å; I74-T76 HydrophobicContact CG2-CG2 4.17Å; I74-T76 PolarHBondContact O-N 3.29Å; I74-T76 VanDerWaalsContact O-N 3.12Å; T76-P93 HydrophobicContact CG2-CG 4.11Å
77G86.5Confident90.3Very high29 Ų2936.3 Ų36.330%0.29919%0.187SC..SBendtrans-80.9-175.1170.600000113.3G50 N80G50-G77 PolarHBondContact O-N 3.04Å; G77-N80 VanDerWaalsContact CA-OD1 3.3Å; G77-N80 WeakPolarHBondContact CA-OD1 3.47Å; G77-N80 PolarHBondContact N-OD1 3.45Å; G77-N80 VanDerWaalsContact N-OD1 3.1Å; G77-N80 PolarHBondContact O-ND2 3.11Å; G77-N80 PolarHBondContact O-OD1 2.85Å
78T79.2Confident90.2Very high109 Ų10928.7 Ų28.767%0.66915%0.154SC*.SBendtrans-81.7-48.9-178.5-51.30000112.5
79T76.6Confident90Very high49 Ų4926.8 Ų26.830%0.30115%0.153SC..  trans-89.1-54.9-171.4-44.80000111.6D81 R84T79-D81 VanDerWaalsContact CG2-CG 3.48Å; T79-D81 VanDerWaalsContact CG2-OD1 3.25Å; T79-D81 WeakPolarHBondContact CG2-OD1 3.25Å; T79-D81 WeakPolarHBondContact CG2-OD2 3.4Å; T79-R84 PolarHBondContact O-NH2 3.15Å
80N85Confident89.6Confident10 Ų1032.3 Ų32.35%0.05317%0.173CC..  trans54.449.8178.9-49.6-51.6000111.8D52 P75 G77 F82 A83 R84D52-N80 WeakPolarHBondContact OD2-CA 3.48Å; D52-N80 PolarHBondContact OD2-N 2.89Å; P75-N80 HydrophobicContact CB-CB 3.85Å; G77-N80 VanDerWaalsContact CA-OD1 3.3Å; G77-N80 WeakPolarHBondContact CA-OD1 3.47Å; G77-N80 PolarHBondContact N-OD1 3.45Å; G77-N80 VanDerWaalsContact N-OD1 3.1Å; G77-N80 PolarHBondContact O-ND2 3.11Å; G77-N80 PolarHBondContact O-OD1 2.85Å; N80-F82 VanDerWaalsContact C-N 3.35Å; N80-A83 HydrophobicContact CB-CB 4.07Å; N80-A83 PolarHBondContact O-N 2.81Å; N80-R84 PolarHBondContact O-N 2.84Å
81D80.6Confident89.2Confident13 Ų1333.1 Ų33.17%0.0720%0.198CC..Hα-helixtrans-61.1-45.1-179.1-79.1-21000111.4D52 T79 A83 R84 A85 G189D52-D81 PolarHBondContact OD1-N 2.69Å; D52-D81 PolarHBondContact OD2-N 3.07Å; T79-D81 VanDerWaalsContact CG2-CG 3.48Å; T79-D81 VanDerWaalsContact CG2-OD1 3.25Å; T79-D81 WeakPolarHBondContact CG2-OD1 3.25Å; T79-D81 WeakPolarHBondContact CG2-OD2 3.4Å; D81-A83 PolarHBondContact O-N 3.25Å; D81-R84 WeakPolarHBondContact O-CB 3.41Å; D81-R84 PolarHBondContact O-N 2.94Å; D81-R84 IonicContact OD1-CZ 2.71Å; D81-R84 IonicContact OD1-NH1 3.93Å; D81-R84 PolarHBondContact OD1-NH1 3.13Å; D81-R84 IonicContact OD1-NH2 3.71Å; D81-A85 PolarHBondContact O-N 2.96Å; D81-A85 VanDerWaalsContact O-N 3.07Å; D81-G189 PolarHBondContact OD2-N 3.49Å; D81-G189 VanDerWaalsContact OD2-N 3.13Å
82F86.4Confident89Confident0 Ų036.4 Ų36.40%022%0.215CC..Hα-helixtrans-68.1-39.3-178.9-161.9-97.7000112.1D52 I55 I73 N80 R84 A85 L86 M108 I120 T185 F280D52-F82 PolarHBondContact OD1-N 3.46Å; D52-F82 VanDerWaalsContact OD1-N 3.15Å; I55-F82 HydrophobicContact CD1-CB 4.5Å; I55-F82 HydrophobicContact CG2-CD1 4.11Å; I73-F82 HydrophobicContact CD1-CD1 3.39Å; I73-F82 HydrophobicContact CD1-CE1 3.7Å; N80-F82 VanDerWaalsContact C-N 3.35Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.89Å; F82-A85 WeakPolarHBondContact O-CB 3.42Å; F82-A85 PolarHBondContact O-N 3.25Å; F82-L86 HydrophobicContact CD1-CD1 3.83Å; F82-L86 HydrophobicContact CE1-CD1 3.52Å; F82-L86 HydrophobicContact CE1-CG 4.37Å; F82-L86 HydrophobicContact CZ-CD1 4.38Å; F82-L86 PolarHBondContact O-N 3.24Å; F82-L86 VanDerWaalsContact O-N 3.11Å; F82-M108 HydrophobicContact CD2-CE 4.45Å; F82-M108 HydrophobicContact CE1-CE 4.32Å; F82-M108 HydrophobicContact CE1-SD 4.15Å; F82-M108 HydrophobicContact CE2-CE 3.46Å; F82-M108 VanDerWaalsContact CE2-CE 3.46Å; F82-M108 HydrophobicContact CE2-SD 4.28Å; F82-M108 HydrophobicContact CZ-CE 3.39Å; F82-M108 HydrophobicContact CZ-SD 3.57Å; F82-M108 VanDerWaalsContact CZ-SD 3.57Å; F82-I120 HydrophobicContact CB-CD1 4.16Å; F82-I120 HydrophobicContact CD1-CD1 4.35Å; F82-I120 HydrophobicContact CD2-CB 3.99Å; F82-I120 HydrophobicContact CD2-CD1 3.77Å; F82-I120 HydrophobicContact CD2-CG1 4.15Å; F82-I120 HydrophobicContact CE2-CB 3.77Å; F82-I120 HydrophobicContact CE2-CD1 4.21Å; F82-I120 HydrophobicContact CE2-CG1 4.41Å; F82-I120 HydrophobicContact CE2-CG2 4.43Å; F82-I120 HydrophobicContact CG-CD1 3.84Å; F82-I120 HydrophobicContact CZ-CB 4.46Å; F82-T185 HydrophobicContact CD2-CG2 4.46Å; F82-F280 AromaticContact CE1-CD1 3.72Å; F82-F280 HydrophobicContact CE1-CD1 3.72Å; F82-F280 HydrophobicContact CE1-CD2 4.46Å; F82-F280 AromaticContact CE1-CE1 3.46Å; F82-F280 HydrophobicContact CE1-CE1 3.46Å; F82-F280 VanDerWaalsContact CE1-CE1 3.46Å; F82-F280 HydrophobicContact CE1-CE2 4.24Å; F82-F280 HydrophobicContact CE1-CG 4.21Å; F82-F280 AromaticContact CE1-CZ 3.76Å; F82-F280 HydrophobicContact CE1-CZ 3.76Å; F82-F280 HydrophobicContact CZ-CD1 4.27Å; F82-F280 HydrophobicContact CZ-CD2 4.25Å; F82-F280 AromaticContact CZ-CE1 3.86Å; F82-F280 HydrophobicContact CZ-CE1 3.86Å; F82-F280 AromaticContact CZ-CE2 3.83Å; F82-F280 HydrophobicContact CZ-CE2 3.83Å; F82-F280 HydrophobicContact CZ-CG 4.44Å; F82-F280 AromaticContact CZ-CZ 3.63Å; F82-F280 HydrophobicContact CZ-CZ 3.63Å
83A89.5Confident88.9Confident0 Ų037 Ų370%022%0.219CC..Hα-helixtrans-66.5-31.2174.400000112.9I73 P75 N80 D81 L86 K87 I88I73-A83 HydrophobicContact CG2-CB 4.25Å; P75-A83 HydrophobicContact CB-CB 3.61Å; P75-A83 HydrophobicContact CG-CB 3.9Å; N80-A83 HydrophobicContact CB-CB 4.07Å; N80-A83 PolarHBondContact O-N 2.81Å; D81-A83 PolarHBondContact O-N 3.25Å; A83-L86 CarbonylContact O-C 3.53Å; A83-L86 PolarHBondContact O-N 2.92Å; A83-K87 PolarHBondContact O-N 3.09Å; A83-K87 VanDerWaalsContact O-N 3.12Å; A83-I88 HydrophobicContact CB-CB 4.28Å; A83-I88 PolarHBondContact O-N 3.43Å
84R85.5Confident88.8Confident52 Ų5237 Ų3720%0.19622%0.219CC..Hα-helixtrans-66.6-41.8173.6-170.3-171.5-65.383.97.3110.9T79 N80 D81 F82 L86 K87 E192T79-R84 PolarHBondContact O-NH2 3.15Å; N80-R84 PolarHBondContact O-N 2.84Å; D81-R84 WeakPolarHBondContact O-CB 3.41Å; D81-R84 PolarHBondContact O-N 2.94Å; D81-R84 IonicContact OD1-CZ 2.71Å; D81-R84 IonicContact OD1-NH1 3.93Å; D81-R84 PolarHBondContact OD1-NH1 3.13Å; D81-R84 IonicContact OD1-NH2 3.71Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.89Å; R84-L86 VanDerWaalsContact C-N 3.29Å; R84-L86 PolarHBondContact O-N 2.64Å; R84-K87 PolarHBondContact O-N 3.23Å; R84-E192 WeakPolarHBondContact CD-OE1 3.46Å; R84-E192 IonicContact NE-OE1 2.75Å
85A82.9Confident88.8Confident13 Ų1340.6 Ų40.611%0.10724%0.236CC..Hα-helixtrans-60.3-40.9175.200000111.5D81 F82 K87D81-A85 PolarHBondContact O-N 2.96Å; D81-A85 VanDerWaalsContact O-N 3.07Å; F82-A85 WeakPolarHBondContact O-CB 3.42Å; F82-A85 PolarHBondContact O-N 3.25Å; A85-K87 VanDerWaalsContact C-N 3.28Å; A85-K87 PolarHBondContact O-N 3.24Å
86L89.4Confident88.9Confident0 Ų040.5 Ų40.50%024%0.235CC..THydrogen-bonded Turntrans-83.45178.1-64.7176.6000115.1I73 F82 A83 R84 I88 I106 M108 F280 A282 N283I73-L86 HydrophobicContact CD1-CD1 3.92Å; F82-L86 HydrophobicContact CD1-CD1 3.83Å; F82-L86 HydrophobicContact CE1-CD1 3.52Å; F82-L86 HydrophobicContact CE1-CG 4.37Å; F82-L86 HydrophobicContact CZ-CD1 4.38Å; F82-L86 PolarHBondContact O-N 3.24Å; F82-L86 VanDerWaalsContact O-N 3.11Å; A83-L86 CarbonylContact O-C 3.53Å; A83-L86 PolarHBondContact O-N 2.92Å; R84-L86 VanDerWaalsContact C-N 3.29Å; R84-L86 PolarHBondContact O-N 2.64Å; L86-I88 HydrophobicContact CB-CD1 3.87Å; L86-I88 HydrophobicContact CB-CG1 3.87Å; L86-I88 HydrophobicContact CD1-CD1 4.17Å; L86-I88 PolarHBondContact O-N 3.42Å; L86-I88 VanDerWaalsContact O-N 3.14Å; L86-I106 HydrophobicContact CD2-CD1 4.4Å; L86-M108 HydrophobicContact CD1-SD 4.12Å; L86-M108 HydrophobicContact CD2-CE 4.17Å; L86-M108 HydrophobicContact CD2-SD 3.32Å; L86-M108 WeakPolarHBondContact CD2-SD 3.44Å; L86-M108 HydrophobicContact CG-SD 4.07Å; L86-F280 HydrophobicContact CD1-CB 3.95Å; L86-F280 HydrophobicContact CD1-CD1 4.25Å; L86-F280 HydrophobicContact CD1-CG 4.26Å; L86-A282 HydrophobicContact CB-CB 4.12Å; L86-A282 HydrophobicContact CD2-CB 3.73Å; L86-A282 HydrophobicContact CG-CB 4.44Å; L86-N283 PolarHBondContact O-N 3.38Å
87K90.2Very high89.2Confident96 Ų9637.8 Ų37.842%0.41722%0.218SC..THydrogen-bonded Turntrans54.531.8179.6-55.7-70.4179.41730113.9A83 R84 A85 N283 E286 I287A83-K87 PolarHBondContact O-N 3.09Å; A83-K87 VanDerWaalsContact O-N 3.12Å; R84-K87 PolarHBondContact O-N 3.23Å; A85-K87 VanDerWaalsContact C-N 3.28Å; A85-K87 PolarHBondContact O-N 3.24Å; K87-N283 HydrophobicContact CB-CB 3.97Å; K87-N283 WeakPolarHBondContact O-CB 3.3Å; K87-N283 PolarHBondContact O-ND2 3.03Å; K87-E286 HydrophobicContact CB-CB 3.79Å; K87-E286 HydrophobicContact CD-CB 4.28Å; K87-E286 WeakPolarHBondContact CE-O 3.3Å; K87-E286 HydrophobicContact CG-CB 3.86Å; K87-E286 WeakPolarHBondContact CG-O 3.38Å; K87-I287 HydrophobicContact CB-CG1 4.17Å; K87-I287 HydrophobicContact CG-CB 4.47Å; K87-I287 HydrophobicContact CG-CD1 4.45Å; K87-I287 HydrophobicContact CG-CG1 3.45Å; K87-I287 VanDerWaalsContact CG-CG1 3.45Å
88I93.2Very high89.7Confident7 Ų740.8 Ų40.84%0.03622%0.223CC..  trans-77.9133.3178.4-59.5173.3000109.1I73 P75 A83 L86 R90 A96I73-I88 HydrophobicContact CB-CD1 3.82Å; I73-I88 HydrophobicContact CD1-CD1 4.42Å; P75-I88 HydrophobicContact CG-CG2 4.06Å; A83-I88 HydrophobicContact CB-CB 4.28Å; A83-I88 PolarHBondContact O-N 3.43Å; L86-I88 HydrophobicContact CB-CD1 3.87Å; L86-I88 HydrophobicContact CB-CG1 3.87Å; L86-I88 HydrophobicContact CD1-CD1 4.17Å; L86-I88 PolarHBondContact O-N 3.42Å; L86-I88 VanDerWaalsContact O-N 3.14Å; I88-R90 PolarHBondContact O-N 3Å; I88-A96 HydrophobicContact CG2-CB 3.87Å
89P92.6Very high90.4Very high43 Ų4336.2 Ų36.228%0.27920%0.195SC..  trans-53.2135.3174.2-27.435.2000112.2P75 E95 I99P75-P89 WeakPolarHBondContact CG-O 3.41Å; P89-E95 HydrophobicContact CB-CB 4.11Å; P89-E95 HydrophobicContact CG-CB 4.48Å; P89-I99 HydrophobicContact CG-CD1 4.13Å; P89-I99 HydrophobicContact CG-CG1 4.02Å
90R90.2Very high91.4Very high124 Ų12434.3 Ų34.347%0.46818%0.182SC..  trans-112.4149.4179.7-64.7167.9-64.6176.8-0.2110.1P75 I88 N92P75-R90 HydrophobicContact CB-CG 4.19Å; P75-R90 HydrophobicContact CG-CB 4.46Å; P75-R90 HydrophobicContact CG-CG 3.84Å; I88-R90 PolarHBondContact O-N 3Å; R90-N92 VanDerWaalsContact C-N 3.27Å; R90-N92 PolarHBondContact O-N 3.19Å
91G88.4Confident91.9Very high79 Ų7935.7 Ų35.781%0.81420%0.199SC*.SBendtrans84.8-15.2177.100000115.3
92N93.7Very high92.6Very high68 Ų6839.2 Ų39.236%0.36421%0.214SC..  trans-127103.8170.9-172-21.3000110.5R90 V94 E95 A96R90-N92 VanDerWaalsContact C-N 3.27Å; R90-N92 PolarHBondContact O-N 3.19Å; N92-V94 PolarHBondContact O-N 2.87Å; N92-V94 PolarHBondContact OD1-N 3.32Å; N92-E95 HydrophobicContact CB-CB 4.09Å; N92-E95 HydrophobicContact CB-CG 4.03Å; N92-E95 WeakPolarHBondContact ND2-CG 3.36Å; N92-E95 PolarHBondContact O-N 3.31Å; N92-E95 PolarHBondContact OD1-N 3.04Å; N92-A96 PolarHBondContact O-N 3.49Å; N92-A96 VanDerWaalsContact O-N 3.1Å
93P95.8Very high93Very high14 Ų1444.9 Ų44.99%0.09124%0.244CC..Hα-helixtrans-57.4-32.6179.8-28.837000115M1 N4 V8 I74 T76 A96 A97M1-P93 HydrophobicContact SD-CB 3.97Å; M1-P93 HydrophobicContact SD-CG 4.44Å; N4-P93 HydrophobicContact CB-CB 4.19Å; N4-P93 HydrophobicContact CB-CG 4.45Å; V8-P93 HydrophobicContact CG2-CB 4.3Å; I74-P93 HydrophobicContact CG2-CB 3.63Å; I74-P93 HydrophobicContact CG2-CG 4.46Å; T76-P93 HydrophobicContact CG2-CG 4.11Å; P93-A96 PolarHBondContact O-N 2.94Å; P93-A97 PolarHBondContact O-N 2.82Å
94V96.7Very high93.2Very high4 Ų446.4 Ų46.42%0.02425%0.251CS..Hα-helixtrans-73.6-42.9-177.5-177.10000110.2N4 E7 V8 V11 N92 A96 A97 K98N4-V94 HydrophobicContact CB-CG2 4.19Å; E7-V94 HydrophobicContact CB-CG2 4.18Å; E7-V94 HydrophobicContact CG-CG1 4Å; E7-V94 HydrophobicContact CG-CG2 3.86Å; E7-V94 WeakPolarHBondContact OE2-CG2 3.23Å; V8-V94 HydrophobicContact CG2-CG2 4.27Å; V11-V94 HydrophobicContact CG2-CG1 4.02Å; N92-V94 PolarHBondContact O-N 2.87Å; N92-V94 PolarHBondContact OD1-N 3.32Å; V94-A96 VanDerWaalsContact C-N 3.29Å; V94-A96 PolarHBondContact O-N 3.42Å; V94-A97 PolarHBondContact O-N 3.09Å; V94-K98 WeakPolarHBondContact O-CG 3.22Å; V94-K98 PolarHBondContact O-N 3.39Å
95E96.2Very high93.7Very high80 Ų8046 Ų4637%0.37426%0.255SS..Hα-helixtrans-65.4-34.1174.5-64.9-58.1126.600112.1P89 N92 K98P89-E95 HydrophobicContact CB-CB 4.11Å; P89-E95 HydrophobicContact CG-CB 4.48Å; N92-E95 HydrophobicContact CB-CB 4.09Å; N92-E95 HydrophobicContact CB-CG 4.03Å; N92-E95 WeakPolarHBondContact ND2-CG 3.36Å; N92-E95 PolarHBondContact O-N 3.31Å; N92-E95 PolarHBondContact OD1-N 3.04Å; E95-K98 PolarHBondContact O-N 2.97Å; E95-K98 IonicContact OE1-NZ 2.72Å; E95-K98 PolarHBondContact OE1-NZ 3.37Å
96A96.7Very high94.2Very high3 Ų345.5 Ų45.53%0.02525%0.25CS..Hα-helixtrans-63.7-43.8171.600000111.7I74 I88 N92 P93 V94 K98 I99I74-A96 HydrophobicContact CG1-CB 4.45Å; I74-A96 HydrophobicContact CG2-CB 4.28Å; I88-A96 HydrophobicContact CG2-CB 3.87Å; N92-A96 PolarHBondContact O-N 3.49Å; N92-A96 VanDerWaalsContact O-N 3.1Å; P93-A96 PolarHBondContact O-N 2.94Å; V94-A96 VanDerWaalsContact C-N 3.29Å; V94-A96 PolarHBondContact O-N 3.42Å; A96-K98 VanDerWaalsContact C-N 3.31Å; A96-K98 PolarHBondContact O-N 2.99Å; A96-I99 WeakPolarHBondContact O-CB 3.4Å; A96-I99 PolarHBondContact O-N 3.43Å
97A97.1Very high94.4Very high0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-62.7-36.1176.700000112.5V8 V11 I74 P93 V94 I99 I100V8-A97 HydrophobicContact CG1-CB 4.01Å; V8-A97 HydrophobicContact CG2-CB 4.32Å; V11-A97 HydrophobicContact CG1-CB 4.25Å; I74-A97 HydrophobicContact CD1-CB 4.17Å; P93-A97 PolarHBondContact O-N 2.82Å; V94-A97 PolarHBondContact O-N 3.09Å; A97-I99 PolarHBondContact O-N 3.31Å; A97-I100 WeakPolarHBondContact O-CB 3.44Å; A97-I100 PolarHBondContact O-N 3.24Å
98K97Very high94.6Very high92 Ų9243.7 Ų43.740%0.424%0.243SC..Hα-helixtrans-61-23.2176.7-73.7176-176.7170.40114.1V11 V94 E95 A96 I100 G101V11-K98 HydrophobicContact CG1-CG 4.01Å; V94-K98 WeakPolarHBondContact O-CG 3.22Å; V94-K98 PolarHBondContact O-N 3.39Å; E95-K98 PolarHBondContact O-N 2.97Å; E95-K98 IonicContact OE1-NZ 2.72Å; E95-K98 PolarHBondContact OE1-NZ 3.37Å; A96-K98 VanDerWaalsContact C-N 3.31Å; A96-K98 PolarHBondContact O-N 2.99Å; K98-I100 PolarHBondContact O-N 2.95Å; K98-G101 PolarHBondContact O-N 3.35Å; K98-G101 VanDerWaalsContact O-N 3.15Å
99I95.4Very high94.7Very high14 Ų1443.4 Ų43.47%0.07224%0.242CC..THydrogen-bonded Turntrans-59.7-31.6174-66.3-58.4000111.5P89 A96 A97 G101 K102 N283P89-I99 HydrophobicContact CG-CD1 4.13Å; P89-I99 HydrophobicContact CG-CG1 4.02Å; A96-I99 WeakPolarHBondContact O-CB 3.4Å; A96-I99 PolarHBondContact O-N 3.43Å; A97-I99 PolarHBondContact O-N 3.31Å; I99-G101 PolarHBondContact O-N 2.98Å; I99-K102 HydrophobicContact CD1-CD 4.32Å; I99-K102 WeakPolarHBondContact O-CB 3.43Å; I99-K102 PolarHBondContact O-N 3.19Å; I99-N283 HydrophobicContact CD1-CB 3.98Å; I99-N283 HydrophobicContact CG2-CB 4.39Å
100I96.7Very high94.8Very high8 Ų841.3 Ų41.34%0.04123%0.228CC..G310 helixtrans-61.1-37.5178.7-64.3160.8000110.6L12 Y17 L45 I47 A72 A97 K98 K102 N103 F281L12-I100 HydrophobicContact CD2-CB 4.41Å; L12-I100 HydrophobicContact CD2-CD1 3.51Å; L12-I100 HydrophobicContact CD2-CG2 4.34Å; Y17-I100 HydrophobicContact CE2-CG2 3.79Å; L45-I100 HydrophobicContact CD2-CG2 4.09Å; I47-I100 HydrophobicContact CD1-CD1 3.74Å; I47-I100 HydrophobicContact CG1-CD1 4.43Å; A72-I100 HydrophobicContact CB-CD1 3.63Å; A72-I100 HydrophobicContact CB-CG1 3.73Å; A97-I100 WeakPolarHBondContact O-CB 3.44Å; A97-I100 PolarHBondContact O-N 3.24Å; K98-I100 PolarHBondContact O-N 2.95Å; I100-K102 PolarHBondContact O-N 3.4Å; I100-K102 VanDerWaalsContact O-N 3.15Å; I100-N103 PolarHBondContact O-N 3.43Å; I100-F281 HydrophobicContact CB-CD1 4.27Å; I100-F281 HydrophobicContact CB-CE1 4.4Å; I100-F281 HydrophobicContact CG1-CB 4.47Å; I100-F281 HydrophobicContact CG1-CD1 4.32Å; I100-F281 HydrophobicContact CG1-CG 4.27Å; I100-F281 HydrophobicContact CG2-CD1 4.17Å; I100-F281 HydrophobicContact CG2-CE1 3.83Å; I100-F281 HydrophobicContact CG2-CZ 4.07Å; I100-F281 WeakPolarHBondContact O-CE1 3.38Å
101G95.4Very high95.2Very high39 Ų3935.4 Ų35.440%0.40221%0.206SC..G310 helixtrans-65.3-14.1176.900000115K98 I99 N103K98-G101 PolarHBondContact O-N 3.35Å; K98-G101 VanDerWaalsContact O-N 3.15Å; I99-G101 PolarHBondContact O-N 2.98Å; G101-N103 PolarHBondContact O-N 2.94Å
102K95Very high95.6Very high87 Ų8733.2 Ų33.238%0.37818%0.175SC..G310 helixtrans-72.1-17.9170.7-66.7-170.1163.8-158.80112.7I99 I100 Q104 N283 D285I99-K102 HydrophobicContact CD1-CD 4.32Å; I99-K102 WeakPolarHBondContact O-CB 3.43Å; I99-K102 PolarHBondContact O-N 3.19Å; I100-K102 PolarHBondContact O-N 3.4Å; I100-K102 VanDerWaalsContact O-N 3.15Å; K102-Q104 HydrophobicContact CB-CB 4.36Å; K102-Q104 HydrophobicContact CB-CG 4.04Å; K102-Q104 PolarHBondContact O-N 2.83Å; K102-N283 PolarHBondContact NZ-OD1 3.14Å; K102-D285 IonicContact NZ-OD2 2.77Å; K102-D285 PolarHBondContact NZ-OD2 3.27Å
103N94.9Very high95.7Very high119 Ų11930 Ų3064%0.63616%0.158SC*.THydrogen-bonded Turntrans52.837.5-174.8-16339.4000113.6I100 G101I100-N103 PolarHBondContact O-N 3.43Å; G101-N103 PolarHBondContact O-N 2.94Å
104Q95.2Very high95.5Very high32 Ų3235.2 Ų35.215%0.1518%0.176CC..  trans-103.7123.5179.1-73.5178.2100109.3K102 F281 A282 T284 D285K102-Q104 HydrophobicContact CB-CB 4.36Å; K102-Q104 HydrophobicContact CB-CG 4.04Å; K102-Q104 PolarHBondContact O-N 2.83Å; Q104-F281 WeakPolarHBondContact O-CA 3.33Å; Q104-A282 VanDerWaalsContact CB-O 3.25Å; Q104-A282 WeakPolarHBondContact CB-O 3.4Å; Q104-A282 PolarHBondContact O-N 3.19Å; Q104-T284 HydrophobicContact CB-CG2 4.17Å; Q104-T284 WeakPolarHBondContact CB-OG1 3.25Å; Q104-T284 WeakPolarHBondContact CG-OG1 3.42Å; Q104-T284 VanDerWaalsContact OE1-N 3.08Å; Q104-T284 PolarHBondContact OE1-OG1 3.08Å; Q104-D285 PolarHBondContact NE2-OD1 2.85Å; Q104-D285 PolarHBondContact NE2-OD2 2.83Å; Q104-D285 PolarHBondContact OE1-OD2 2.96Å
105T95.6Very high95.2Very high45 Ų4543.2 Ų43.228%0.27621%0.213SC..EExtended strand (participates in β ladder)trans-133.2155.5-178.164.40000112.1T279 F280 F281T105-T279 HydrophobicContact CG2-CG2 4.13Å; T105-F280 CarbonylContact C-O 3.59Å; T105-F280 WeakPolarHBondContact CA-O 3.46Å; T105-F280 WeakPolarHBondContact CB-O 3.36Å; T105-F281 HydrophobicContact CG2-CD1 3.96Å; T105-F281 HydrophobicContact CG2-CD2 4.16Å; T105-F281 HydrophobicContact CG2-CE1 4.04Å; T105-F281 HydrophobicContact CG2-CE2 4.2Å; T105-F281 HydrophobicContact CG2-CG 4.04Å; T105-F281 HydrophobicContact CG2-CZ 4.15Å
106I92.8Very high94.9Very high2 Ų244.8 Ų44.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-129.3133.9173.2-64167.8000107.6L86 M108 T279 F280 A282 T284 I287 L292L86-I106 HydrophobicContact CD2-CD1 4.4Å; I106-M108 HydrophobicContact CB-CG 4.33Å; I106-M108 HydrophobicContact CG2-CG 3.78Å; I106-M108 PolarHBondContact O-N 2.97Å; I106-T279 CarbonylContact O-C 3.56Å; I106-T279 WeakPolarHBondContact O-CA 3.4Å; I106-F280 PolarHBondContact N-O 3.3Å; I106-F280 PolarHBondContact O-N 3.38Å; I106-A282 HydrophobicContact CD1-CB 3.76Å; I106-A282 HydrophobicContact CG1-CB 4.18Å; I106-T284 HydrophobicContact CD1-CG2 3.78Å; I106-T284 HydrophobicContact CG1-CG2 3.64Å; I106-I287 HydrophobicContact CD1-CD1 3.34Å; I106-L292 HydrophobicContact CD1-CD1 3.97Å; I106-L292 HydrophobicContact CD1-CD2 4.1Å; I106-L292 HydrophobicContact CG1-CD1 4.29Å; I106-L292 HydrophobicContact CG1-CD2 4.5Å; I106-L292 HydrophobicContact CG2-CD2 3.73Å
107Q94.1Very high94.8Very high58 Ų5846.9 Ų46.927%0.27124%0.236SC..EExtended strand (participates in β ladder)trans-80.7115.9165.9-58.7-176.519.400108D201 N276Q107-D201 WeakPolarHBondContact O-CB 3.29Å; Q107-N276 HydrophobicContact CB-CB 3.76Å
108M93.5Very high94.8Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-109.2148.2-175.7-64.1-179.16700111.7F82 L86 I106 L200 N276 H277 I278 F280F82-M108 HydrophobicContact CD2-CE 4.45Å; F82-M108 HydrophobicContact CE1-CE 4.32Å; F82-M108 HydrophobicContact CE1-SD 4.15Å; F82-M108 HydrophobicContact CE2-CE 3.46Å; F82-M108 VanDerWaalsContact CE2-CE 3.46Å; F82-M108 HydrophobicContact CE2-SD 4.28Å; F82-M108 HydrophobicContact CZ-CE 3.39Å; F82-M108 HydrophobicContact CZ-SD 3.57Å; F82-M108 VanDerWaalsContact CZ-SD 3.57Å; L86-M108 HydrophobicContact CD1-SD 4.12Å; L86-M108 HydrophobicContact CD2-CE 4.17Å; L86-M108 HydrophobicContact CD2-SD 3.32Å; L86-M108 WeakPolarHBondContact CD2-SD 3.44Å; L86-M108 HydrophobicContact CG-SD 4.07Å; I106-M108 HydrophobicContact CB-CG 4.33Å; I106-M108 HydrophobicContact CG2-CG 3.78Å; I106-M108 PolarHBondContact O-N 2.97Å; M108-L200 WeakPolarHBondContact CA-O 3.44Å; M108-L200 HydrophobicContact CE-CB 4.08Å; M108-L200 HydrophobicContact CE-CD1 4.07Å; M108-L200 HydrophobicContact CE-CD2 3.95Å; M108-L200 HydrophobicContact CE-CG 4.24Å; M108-L200 HydrophobicContact CG-CB 4.48Å; M108-N276 CarbonylContact O-C 3.59Å; M108-H277 PolarHBondContact O-N 3.4Å; M108-I278 PolarHBondContact N-O 3.08Å; M108-I278 PolarHBondContact O-N 2.74Å; M108-F280 HydrophobicContact CB-CD2 3.77Å; M108-F280 HydrophobicContact CB-CE2 3.97Å; M108-F280 HydrophobicContact CG-CD2 3.79Å; M108-F280 HydrophobicContact CG-CE2 4.41Å; M108-F280 HydrophobicContact SD-CB 4.1Å; M108-F280 HydrophobicContact SD-CD2 3.53Å; M108-F280 VanDerWaalsContact SD-CD2 3.53Å; M108-F280 HydrophobicContact SD-CE2 4.11Å; M108-F280 HydrophobicContact SD-CG 3.94Å
109D95.4Very high94.7Very high0 Ų043.2 Ų43.20%022%0.22CC..EExtended strand (participates in β ladder)trans-65.1148166.5-67.1-0.1000111.3I184 L200 D201 G203 K204 N273 L274 K275 N276D109-I184 HydrophobicContact CB-CG2 4.02Å; D109-L200 PolarHBondContact N-O 2.77Å; D109-D201 WeakPolarHBondContact OD1-CA 3.39Å; D109-G203 PolarHBondContact OD1-N 3.35Å; D109-G203 WeakPolarHBondContact OD2-CA 3.46Å; D109-G203 PolarHBondContact OD2-N 2.94Å; D109-K204 PolarHBondContact OD2-N 2.92Å; D109-N273 WeakPolarHBondContact CB-OD1 3.47Å; D109-N273 VanDerWaalsContact CG-OD1 3.3Å; D109-N273 PolarHBondContact OD2-ND2 3.09Å; D109-N273 PolarHBondContact OD2-OD1 2.94Å; D109-L274 VanDerWaalsContact CA-O 3.32Å; D109-L274 WeakPolarHBondContact CA-O 3.23Å; D109-K275 VanDerWaalsContact OD1-CA 3.22Å; D109-K275 WeakPolarHBondContact OD1-CA 3.47Å; D109-N276 PolarHBondContact OD1-N 3.47Å
110I95.9Very high94.5Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-130.716016370.2175000110V59 A63 Y118 I120 L274 H277 I278V59-I110 HydrophobicContact CG1-CD1 4.1Å; V59-I110 HydrophobicContact CG1-CG2 4.38Å; A63-I110 HydrophobicContact CB-CD1 3.53Å; I110-Y118 HydrophobicContact CD1-CD1 3.6Å; I110-Y118 HydrophobicContact CD1-CE1 4.33Å; I110-Y118 HydrophobicContact CD1-CG 4.3Å; I110-Y118 HydrophobicContact CG1-CD1 4.42Å; I110-I120 HydrophobicContact CG2-CG2 4.07Å; I110-L274 HydrophobicContact CD1-CD1 4.24Å; I110-L274 HydrophobicContact CG1-CB 3.97Å; I110-L274 HydrophobicContact CG1-CD1 4.09Å; I110-L274 HydrophobicContact CG1-CG 4.38Å; I110-L274 PolarHBondContact N-O 2.89Å; I110-L274 VanDerWaalsContact N-O 3.16Å; I110-L274 PolarHBondContact O-N 3.2Å; I110-H277 HydrophobicContact CD1-CB 4.28Å; I110-H277 VanDerWaalsContact CD1-CD2 3.43Å; I110-H277 WeakPolarHBondContact CD1-CD2 3.5Å; I110-H277 HydrophobicContact CG1-CB 3.96Å; I110-I278 HydrophobicContact CD1-CD1 4.02Å; I110-I278 HydrophobicContact CD1-CG1 4.44Å; I110-I278 HydrophobicContact CG2-CD1 4.1Å; I110-I278 HydrophobicContact CG2-CG1 4.41Å
111G96.8Very high94.1Very high0 Ų042.7 Ų42.70%022%0.217CC..EExtended strand (participates in β ladder)trans-92.3138.1172.200000111.1Y118 F119G111-Y118 CarbonylContact O-C 3.48Å; G111-Y118 WeakPolarHBondContact O-CA 3.4Å; G111-F119 VanDerWaalsContact CA-CE1 3.47Å; G111-F119 WeakPolarHBondContact CA-O 3.41Å; G111-F119 PolarHBondContact N-O 3.32Å; G111-F119 WeakPolarHBondContact O-CD1 3.4Å; G111-F119 PolarHBondContact O-N 3.44Å
112Q97.6Very high93.9Very high33 Ų3341.4 Ų41.415%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-110.9129.3167.2-176.3-174.540.100108.4E115 T117 Y118 L271 R272 L274Q112-E115 PolarHBondContact NE2-O 3.27Å; Q112-T117 CarbonylContact C-O 3.43Å; Q112-T117 WeakPolarHBondContact CA-O 3.25Å; Q112-Y118 HydrophobicContact CB-CD1 4.21Å; Q112-Y118 HydrophobicContact CB-CE1 4.25Å; Q112-Y118 HydrophobicContact CG-CD1 4.35Å; Q112-Y118 HydrophobicContact CG-CE1 4.05Å; Q112-L271 CarbonylContact O-C 3.6Å; Q112-L271 VanDerWaalsContact O-CA 3.23Å; Q112-L271 WeakPolarHBondContact O-CA 3.37Å; Q112-R272 HydrophobicContact CB-CB 4.41Å; Q112-R272 PolarHBondContact N-O 3.24Å; Q112-R272 PolarHBondContact O-N 3.2Å; Q112-L274 HydrophobicContact CB-CD1 3.98Å; Q112-L274 HydrophobicContact CB-CD2 4.4Å; Q112-L274 HydrophobicContact CB-CG 4.06Å
113A96.5Very high93.8Very high1 Ų137.4 Ų37.41%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-108.9130.7171.400000109.1E115 T117 F119 L259 I269 L271A113-E115 PolarHBondContact O-N 3.04Å; A113-T117 PolarHBondContact N-O 3.21Å; A113-T117 PolarHBondContact O-N 3.46Å; A113-F119 HydrophobicContact CB-CD1 4.47Å; A113-F119 HydrophobicContact CB-CE1 4.41Å; A113-L259 HydrophobicContact CB-CD1 3.6Å; A113-L259 HydrophobicContact CB-CD2 4.29Å; A113-I269 HydrophobicContact CB-CD1 4.12Å; A113-L271 HydrophobicContact CB-CD2 3.61Å
114R92Very high93.6Very high123 Ų12332.1 Ų32.146%0.46416%0.157SC..THydrogen-bonded Turntrans58.5-121.8-174.2-53.2170.3-179.5-114.3-9110.3D266 I269 K270R114-D266 PolarHBondContact NH2-O 2.78Å; R114-I269 HydrophobicContact CG-CD1 4.28Å; R114-I269 HydrophobicContact CG-CG1 4.06Å; R114-K270 PolarHBondContact N-O 2.92Å
115E89.2Confident93.5Very high172 Ų17230.7 Ų30.780%0.80415%0.151SC*.THydrogen-bonded Turntrans-113.3-28.3-177.2-64.6-177.4174.600112.7Q112 A113Q112-E115 PolarHBondContact NE2-O 3.27Å; A113-E115 PolarHBondContact O-N 3.04Å
116D90.4Very high93Very high113 Ų11328.6 Ų28.660%0.60414%0.138SC*.THydrogen-bonded Turntrans-137.41-162.466.2-14.8000115.2Y118D116-Y118 WeakPolarHBondContact O-CE2 3.4Å
117T95.3Very high92Very high46 Ų4629.1 Ų29.128%0.28214%0.142SC..EExtended strand (participates in β ladder)trans-110133.9-179-54.40000110.2Q112 A113 L259Q112-T117 CarbonylContact C-O 3.43Å; Q112-T117 WeakPolarHBondContact CA-O 3.25Å; A113-T117 PolarHBondContact N-O 3.21Å; A113-T117 PolarHBondContact O-N 3.46Å; T117-L259 HydrophobicContact CG2-CD1 3.71Å
118Y97Very high90.9Very high15 Ų1528.3 Ų28.36%0.05914%0.137CC..EExtended strand (participates in β ladder)trans-122.4151.6-174.7-55.3-96.2000112.3N56 N60 A63 P64 I110 G111 Q112 D116 L274N56-Y118 PolarHBondContact ND2-O 3Å; N56-Y118 VanDerWaalsContact ND2-O 3.16Å; N60-Y118 PolarHBondContact ND2-O 3.03Å; N60-Y118 PolarHBondContact OD1-N 2.96Å; A63-Y118 HydrophobicContact CB-CD1 3.58Å; A63-Y118 HydrophobicContact CB-CD2 4Å; A63-Y118 HydrophobicContact CB-CE1 3.67Å; A63-Y118 HydrophobicContact CB-CE2 4.14Å; A63-Y118 HydrophobicContact CB-CG 3.73Å; P64-Y118 HydrophobicContact CG-CE2 3.64Å; I110-Y118 HydrophobicContact CD1-CD1 3.6Å; I110-Y118 HydrophobicContact CD1-CE1 4.33Å; I110-Y118 HydrophobicContact CD1-CG 4.3Å; I110-Y118 HydrophobicContact CG1-CD1 4.42Å; G111-Y118 CarbonylContact O-C 3.48Å; G111-Y118 WeakPolarHBondContact O-CA 3.4Å; Q112-Y118 HydrophobicContact CB-CD1 4.21Å; Q112-Y118 HydrophobicContact CB-CE1 4.25Å; Q112-Y118 HydrophobicContact CG-CD1 4.35Å; Q112-Y118 HydrophobicContact CG-CE1 4.05Å; D116-Y118 WeakPolarHBondContact O-CE2 3.4Å; Y118-L274 HydrophobicContact CD1-CD1 4.11Å; Y118-L274 HydrophobicContact CE1-CD1 3.72Å
119F94.4Very high89.3Confident0 Ų028.6 Ų28.60%014%0.139CC..EExtended strand (participates in β ladder)trans-142.7153.5176.566-83.6000110.9G111 A113 A123 I184 F205 L259 D260 L271G111-F119 VanDerWaalsContact CA-CE1 3.47Å; G111-F119 WeakPolarHBondContact CA-O 3.41Å; G111-F119 PolarHBondContact N-O 3.32Å; G111-F119 WeakPolarHBondContact O-CD1 3.4Å; G111-F119 PolarHBondContact O-N 3.44Å; A113-F119 HydrophobicContact CB-CD1 4.47Å; A113-F119 HydrophobicContact CB-CE1 4.41Å; F119-A123 HydrophobicContact CD2-CB 4.45Å; F119-A123 HydrophobicContact CE1-CB 4.21Å; F119-A123 HydrophobicContact CE2-CB 3.88Å; F119-A123 HydrophobicContact CZ-CB 3.73Å; F119-I184 HydrophobicContact CD2-CD1 3.57Å; F119-I184 HydrophobicContact CE2-CD1 3.55Å; F119-I184 HydrophobicContact CE2-CG1 4.09Å; F119-I184 HydrophobicContact CG-CD1 4.49Å; F119-I184 HydrophobicContact CZ-CD1 4.46Å; F119-I184 WeakPolarHBondContact O-CD1 3.25Å; F119-F205 HydrophobicContact CE1-CE1 4.48Å; F119-F205 HydrophobicContact CE1-CZ 4.3Å; F119-F205 HydrophobicContact CE2-CD1 4.46Å; F119-F205 AromaticContact CE2-CE1 3.71Å; F119-F205 HydrophobicContact CE2-CE1 3.71Å; F119-F205 HydrophobicContact CE2-CZ 4.3Å; F119-F205 HydrophobicContact CZ-CD1 4.42Å; F119-F205 AromaticContact CZ-CE1 3.44Å; F119-F205 HydrophobicContact CZ-CE1 3.44Å; F119-F205 VanDerWaalsContact CZ-CE1 3.44Å; F119-F205 AromaticContact CZ-CZ 3.56Å; F119-F205 HydrophobicContact CZ-CZ 3.56Å; F119-L259 HydrophobicContact CB-CB 4.2Å; F119-L259 HydrophobicContact CD1-CD2 3.83Å; F119-L259 HydrophobicContact CE1-CD2 4.14Å; F119-L259 HydrophobicContact CG-CD2 4.18Å; F119-D260 WeakPolarHBondContact CA-OD2 3.43Å; F119-D260 WeakPolarHBondContact CB-OD2 3.46Å; F119-L271 HydrophobicContact CE1-CD2 4.21Å
120I92Very high87.8Confident0 Ų032.3 Ų32.30%016%0.157CC..SBendtrans-119.3-17.3-170.853168.5000113.6I55 V59 F82 I110 D260I55-I120 HydrophobicContact CB-CD1 4.13Å; I55-I120 HydrophobicContact CG2-CD1 3.52Å; V59-I120 HydrophobicContact CB-CG2 4.09Å; V59-I120 HydrophobicContact CG1-CG2 3.77Å; V59-I120 HydrophobicContact CG2-CG2 3.85Å; F82-I120 HydrophobicContact CB-CD1 4.16Å; F82-I120 HydrophobicContact CD1-CD1 4.35Å; F82-I120 HydrophobicContact CD2-CB 3.99Å; F82-I120 HydrophobicContact CD2-CD1 3.77Å; F82-I120 HydrophobicContact CD2-CG1 4.15Å; F82-I120 HydrophobicContact CE2-CB 3.77Å; F82-I120 HydrophobicContact CE2-CD1 4.21Å; F82-I120 HydrophobicContact CE2-CG1 4.41Å; F82-I120 HydrophobicContact CE2-CG2 4.43Å; F82-I120 HydrophobicContact CG-CD1 3.84Å; F82-I120 HydrophobicContact CZ-CB 4.46Å; I110-I120 HydrophobicContact CG2-CG2 4.07Å; I120-D260 WeakPolarHBondContact CG1-OD2 3.17Å; I120-D260 PolarHBondContact N-OD2 3.4Å
121N87.8Confident86Confident11 Ų1134.6 Ų34.66%0.05917%0.169CC..SBendtrans-115.5-61.1178.6-63-62.8000111.7I184 D260N121-I184 PolarHBondContact O-N 3.25Å; N121-D260 WeakPolarHBondContact CA-OD1 3.29Å; N121-D260 VanDerWaalsContact CB-OD1 3.27Å; N121-D260 WeakPolarHBondContact CB-OD1 3.31Å; N121-D260 PolarHBondContact N-OD1 3Å
122I90Very high84.2Confident12 Ų1235.9 Ų35.96%0.06218%0.177CC..EExtended strand (participates in β ladder)trans-154.8142-168.9-168.8167.8000113.7F181 A182 A183 V188 D260I122-F181 HydrophobicContact CD1-CB 3.9Å; I122-F181 HydrophobicContact CD1-CD1 3.56Å; I122-F181 HydrophobicContact CD1-CE1 4.46Å; I122-F181 HydrophobicContact CD1-CG 4.06Å; I122-A182 WeakPolarHBondContact CA-O 3.37Å; I122-A183 HydrophobicContact CD1-CB 4.47Å; I122-A183 HydrophobicContact CG1-CB 4.47Å; I122-V188 HydrophobicContact CB-CG1 4.24Å; I122-V188 HydrophobicContact CB-CG2 4.25Å; I122-V188 HydrophobicContact CD1-CB 4.34Å; I122-V188 HydrophobicContact CD1-CG1 3.61Å; I122-V188 HydrophobicContact CD1-CG2 3.97Å; I122-V188 HydrophobicContact CG2-CG1 3.85Å; I122-D260 PolarHBondContact N-OD1 2.85Å; I122-D260 PolarHBondContact O-N 2.5Å
123A92.7Very high82.4Confident4 Ų437.8 Ų37.83%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-102.4131.3155.400000110.1F119 F181 A182 N258 L259 L271F119-A123 HydrophobicContact CD2-CB 4.45Å; F119-A123 HydrophobicContact CE1-CB 4.21Å; F119-A123 HydrophobicContact CE2-CB 3.88Å; F119-A123 HydrophobicContact CZ-CB 3.73Å; A123-F181 CarbonylContact O-C 3.53Å; A123-F181 WeakPolarHBondContact O-CA 3.22Å; A123-A182 HydrophobicContact CB-CB 4.32Å; A123-A182 PolarHBondContact N-O 3.28Å; A123-A182 PolarHBondContact O-N 3.37Å; A123-N258 CarbonylContact C-O 3.6Å; A123-N258 VanDerWaalsContact CA-O 3.26Å; A123-N258 WeakPolarHBondContact CA-O 3.44Å; A123-L259 HydrophobicContact CB-CD2 3.43Å; A123-L259 VanDerWaalsContact CB-CD2 3.43Å; A123-L271 HydrophobicContact CB-CD1 3.59Å
124A92.4Very high80.6Confident8 Ų841.7 Ų41.77%0.06621%0.21CC..EExtended strand (participates in β ladder)trans-129.2147.3179.300000111.9T129 I180 F181 N258A124-T129 HydrophobicContact CB-CG2 3.71Å; A124-I180 CarbonylContact C-O 3.18Å; A124-I180 WeakPolarHBondContact CA-O 3.04Å; A124-F181 HydrophobicContact CB-CD1 3.68Å; A124-F181 HydrophobicContact CB-CE1 3.92Å; A124-N258 HydrophobicContact CB-CB 4.29Å; A124-N258 PolarHBondContact N-O 2.99Å; A124-N258 PolarHBondContact O-N 3.35Å
125A92.4Very high78.9Confident1 Ų137 Ų371%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-147.3170.917500000111.8M179 I180 M255 I257A125-M179 WeakPolarHBondContact O-CA 3.43Å; A125-I180 HydrophobicContact CB-CB 4.2Å; A125-I180 HydrophobicContact CB-CD1 4.29Å; A125-I180 PolarHBondContact N-O 2.72Å; A125-I180 PolarHBondContact O-N 3.39Å; A125-M255 HydrophobicContact CB-CG 4.2Å; A125-M255 HydrophobicContact CB-SD 4.1Å; A125-I257 HydrophobicContact CB-CD1 3.59Å
126G83.9Confident77.4Confident1 Ų132.5 Ų32.51%0.0118%0.181CC..EExtended strand (participates in β ladder)trans111.3-179.8177.900000112.8F128 T129G126-F128 PolarHBondContact O-N 2.98Å; G126-F128 VanDerWaalsContact O-N 3.08Å; G126-T129 PolarHBondContact N-OG1 3.04Å; G126-T129 PolarHBondContact O-N 2.84Å; G126-T129 VanDerWaalsContact O-N 3.1Å; G126-T129 PolarHBondContact O-OG1 3.17Å
127S73.1Confident75.7Confident14 Ų1431.6 Ų31.610%0.09818%0.183CC..Hα-helixtrans-61.9-25.8-171.859.10000113.6L131 R160 S178S127-L131 WeakPolarHBondContact O-CG 3.33Å; S127-L131 PolarHBondContact O-N 3.3Å; S127-R160 WeakPolarHBondContact CB-O 3.4Å; S127-R160 PolarHBondContact OG-N 2.92Å; S127-R160 PolarHBondContact OG-O 3.06Å; S127-S178 PolarHBondContact N-O 2.82Å
128F69.7Low73.5Confident40 Ų4036.4 Ų36.418%0.17520%0.202CC..Hα-helixtrans-70.4-37.7177.4-171-104.7000113.1G126 L131 T132 G152 L155 L156 I159 M179G126-F128 PolarHBondContact O-N 2.98Å; G126-F128 VanDerWaalsContact O-N 3.08Å; F128-L131 WeakPolarHBondContact O-CB 3.44Å; F128-L131 PolarHBondContact O-N 3.12Å; F128-T132 HydrophobicContact CD1-CG2 4.09Å; F128-T132 HydrophobicContact CE1-CG2 3.79Å; F128-T132 HydrophobicContact CZ-CG2 4.18Å; F128-T132 VanDerWaalsContact O-CG2 3.32Å; F128-T132 WeakPolarHBondContact O-CG2 3.34Å; F128-T132 PolarHBondContact O-N 2.95Å; F128-T132 VanDerWaalsContact O-N 3.09Å; F128-G152 WeakPolarHBondContact CE2-O 3.19Å; F128-L155 HydrophobicContact CE2-CB 4.07Å; F128-L156 HydrophobicContact CD2-CD2 4.31Å; F128-L156 HydrophobicContact CE2-CD2 3.88Å; F128-I159 HydrophobicContact CB-CD1 4.41Å; F128-I159 HydrophobicContact CB-CG1 4.28Å; F128-I159 HydrophobicContact CD2-CD1 3.74Å; F128-I159 HydrophobicContact CD2-CG1 3.96Å; F128-I159 HydrophobicContact CE2-CD1 4.49Å; F128-I159 HydrophobicContact CG-CD1 4.42Å; F128-M179 HydrophobicContact CB-CE 3.92Å; F128-M179 HydrophobicContact CB-CG 4.03Å; F128-M179 HydrophobicContact CB-SD 4.33Å; F128-M179 HydrophobicContact CD1-CE 4.47Å; F128-M179 HydrophobicContact CD2-CE 4.15Å; F128-M179 HydrophobicContact CG-CE 3.93Å
129T61.7Low71.3Confident6 Ų638.5 Ų38.54%0.03722%0.215CC..Hα-helixtrans-67.4-40.9-179.357.60000110.8A124 G126 L131 T132 Y133 M256 N258A124-T129 HydrophobicContact CB-CG2 3.71Å; G126-T129 PolarHBondContact N-OG1 3.04Å; G126-T129 PolarHBondContact O-N 2.84Å; G126-T129 VanDerWaalsContact O-N 3.1Å; G126-T129 PolarHBondContact O-OG1 3.17Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.18Å; T129-T132 PolarHBondContact O-N 3.43Å; T129-T132 PolarHBondContact O-OG1 3.35Å; T129-Y133 VanDerWaalsContact O-CD2 3.23Å; T129-Y133 WeakPolarHBondContact O-CD2 3.35Å; T129-Y133 PolarHBondContact O-N 3.16Å; T129-M256 PolarHBondContact OG1-O 3.17Å; T129-N258 HydrophobicContact CG2-CB 4.23Å
130E62.5Low69.2Low78 Ų7843 Ų4336%0.36423%0.234SC..Hα-helixtrans-56.1-42.7173.2-70.1171.9-156.400112.2T132 Y133 M256E130-T132 VanDerWaalsContact C-N 3.32Å; E130-T132 PolarHBondContact O-N 2.91Å; E130-Y133 PolarHBondContact O-N 3.19Å; E130-M256 HydrophobicContact CG-CB 4.08Å; E130-M256 HydrophobicContact CG-CG 4.16Å; E130-M256 HydrophobicContact CG-SD 4.32Å
131L58Low67.3Low49 Ų4948.6 Ų48.626%0.25727%0.268SS..Hα-helixtrans-65.3-36.1176.2-69.4170.8000111.8S127 F128 T129 Y133 S134 L155S127-L131 WeakPolarHBondContact O-CG 3.33Å; S127-L131 PolarHBondContact O-N 3.3Å; F128-L131 WeakPolarHBondContact O-CB 3.44Å; F128-L131 PolarHBondContact O-N 3.12Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.18Å; L131-Y133 PolarHBondContact O-N 3.48Å; L131-S134 WeakPolarHBondContact O-CB 3.43Å; L131-S134 PolarHBondContact O-N 3.39Å; L131-S134 PolarHBondContact O-OG 2.96Å; L131-L155 HydrophobicContact CB-CB 4.26Å; L131-L155 HydrophobicContact CB-CD1 3.99Å; L131-L155 HydrophobicContact CB-CD2 4.12Å; L131-L155 HydrophobicContact CB-CG 4.33Å; L131-L155 HydrophobicContact CD1-CB 4.24Å; L131-L155 WeakPolarHBondContact CD1-O 3.25Å; L131-L155 HydrophobicContact CD2-CD2 4.48Å
132T60.7Low65.1Low27 Ų2754.4 Ų54.417%0.16630%0.297CS..Hα-helixtrans-69.5-28.9179.765.30000113.7F128 T129 E130 S134 V135 L155F128-T132 HydrophobicContact CD1-CG2 4.09Å; F128-T132 HydrophobicContact CE1-CG2 3.79Å; F128-T132 HydrophobicContact CZ-CG2 4.18Å; F128-T132 VanDerWaalsContact O-CG2 3.32Å; F128-T132 WeakPolarHBondContact O-CG2 3.34Å; F128-T132 PolarHBondContact O-N 2.95Å; F128-T132 VanDerWaalsContact O-N 3.09Å; T129-T132 PolarHBondContact O-N 3.43Å; T129-T132 PolarHBondContact O-OG1 3.35Å; E130-T132 VanDerWaalsContact C-N 3.32Å; E130-T132 PolarHBondContact O-N 2.91Å; T132-S134 PolarHBondContact O-N 3.33Å; T132-V135 WeakPolarHBondContact O-CB 3.48Å; T132-V135 PolarHBondContact O-N 3.44Å; T132-L155 HydrophobicContact CG2-CD1 4.35Å
133Y59.6Low63.3Low72 Ų7260 Ų6028%0.28232%0.321SS..Hα-helixtrans-65.4-20.8173.1-71.2-60.8000113.6T129 E130 L131 V135 M256 I257 N258 E262 Y263T129-Y133 VanDerWaalsContact O-CD2 3.23Å; T129-Y133 WeakPolarHBondContact O-CD2 3.35Å; T129-Y133 PolarHBondContact O-N 3.16Å; E130-Y133 PolarHBondContact O-N 3.19Å; L131-Y133 PolarHBondContact O-N 3.48Å; Y133-V135 PolarHBondContact O-N 3.03Å; Y133-M256 HydrophobicContact CD2-CB 4.33Å; Y133-M256 HydrophobicContact CD2-SD 3.73Å; Y133-M256 HydrophobicContact CE2-CB 3.89Å; Y133-M256 HydrophobicContact CE2-SD 4.15Å; Y133-I257 PolarHBondContact OH-O 3.1Å; Y133-N258 WeakPolarHBondContact OH-CA 3.4Å; Y133-N258 VanDerWaalsContact OH-CB 3.24Å; Y133-N258 WeakPolarHBondContact OH-CB 3.41Å; Y133-N258 PolarHBondContact OH-ND2 3.14Å; Y133-E262 PolarHBondContact OH-O 3.41Å; Y133-Y263 HydrophobicContact CE1-CD2 4.45Å; Y133-Y263 HydrophobicContact CE2-CD2 4.12Å; Y133-Y263 AromaticContact CZ-CD2 3.91Å; Y133-Y263 VanDerWaalsContact OH-CA 3.23Å; Y133-Y263 WeakPolarHBondContact OH-CA 3.26Å
134S57.4Low61.3Low83 Ų8361.2 Ų61.258%0.5833%0.333SS*.THydrogen-bonded Turntrans-74.7-8.8174.176.60000113.5L131 T132 P136L131-S134 WeakPolarHBondContact O-CB 3.43Å; L131-S134 PolarHBondContact O-N 3.39Å; L131-S134 PolarHBondContact O-OG 2.96Å; T132-S134 PolarHBondContact O-N 3.33Å; S134-P136 WeakPolarHBondContact O-CD 3.46Å
135V57.3Low59.4Low26 Ų2665 Ų6516%0.15835%0.346CS..SBendtrans-89.1118.2-178.4-174.80000109.6T132 Y133 S137 L139 K151 L155T132-V135 WeakPolarHBondContact O-CB 3.48Å; T132-V135 PolarHBondContact O-N 3.44Å; Y133-V135 PolarHBondContact O-N 3.03Å; V135-S137 PolarHBondContact O-N 3.11Å; V135-L139 HydrophobicContact CG1-CB 4.36Å; V135-L139 HydrophobicContact CG1-CD1 3.72Å; V135-K151 HydrophobicContact CG1-CG 4.04Å; V135-K151 HydrophobicContact CG2-CG 3.72Å; V135-L155 HydrophobicContact CG2-CD1 4.03Å
136P56.8Low57.5Low76 Ų7671.3 Ų71.349%0.49438%0.379SS..  trans-56.2131.1176.7-25.533.5000111.8S134 Q138 L139S134-P136 WeakPolarHBondContact O-CD 3.46Å; P136-Q138 PolarHBondContact O-N 2.95Å; P136-L139 WeakPolarHBondContact O-CB 3.43Å; P136-L139 PolarHBondContact O-N 3.45Å
137S55.5Low56.3Low94 Ų9472.7 Ų72.766%0.65739%0.391SS*.THydrogen-bonded Turntrans-53.5-28.8177.956.60000112.9V135 L139 K140V135-S137 PolarHBondContact O-N 3.11Å; S137-L139 PolarHBondContact O-N 3.47Å; S137-K140 WeakPolarHBondContact O-CB 3.47Å; S137-K140 PolarHBondContact O-N 2.96Å; S137-K140 VanDerWaalsContact O-N 3.08Å
138Q49.6Very low55.7Low147 Ų14776.1 Ų76.169%0.68740%0.402SS*.Hα-helixtrans-58.6-27.7176.1-66.3-179.3-2200113.9P136 K140 T141 M142P136-Q138 PolarHBondContact O-N 2.95Å; Q138-K140 VanDerWaalsContact C-N 3.28Å; Q138-K140 PolarHBondContact O-N 3.35Å; Q138-T141 PolarHBondContact O-N 3.02Å; Q138-M142 PolarHBondContact O-N 2.99Å; Q138-M142 VanDerWaalsContact O-N 3.07Å
139L49.9Very low55.5Low60 Ų6076.7 Ų76.731%0.31441%0.407SS..Hα-helixtrans-67.4-28.5177.2-72.1171.5000112.3V135 P136 S137 T141 F143V135-L139 HydrophobicContact CG1-CB 4.36Å; V135-L139 HydrophobicContact CG1-CD1 3.72Å; P136-L139 WeakPolarHBondContact O-CB 3.43Å; P136-L139 PolarHBondContact O-N 3.45Å; S137-L139 PolarHBondContact O-N 3.47Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.46Å; L139-F143 HydrophobicContact CD2-CD2 3.81Å; L139-F143 HydrophobicContact CD2-CE2 3.95Å
140K50.2Low55.8Low93 Ų9379.3 Ų79.340%0.40443%0.429SS..Hα-helixtrans-63.3-35.1173.5-69.2-176.8178.7175.80111.5S137 Q138 Y148S137-K140 WeakPolarHBondContact O-CB 3.47Å; S137-K140 PolarHBondContact O-N 2.96Å; S137-K140 VanDerWaalsContact O-N 3.08Å; Q138-K140 VanDerWaalsContact C-N 3.28Å; Q138-K140 PolarHBondContact O-N 3.35Å; K140-Y148 HydrophobicContact CG-CD2 3.99Å; K140-Y148 HydrophobicContact CG-CE2 4.43Å
141T51.9Low56.2Low118 Ų11878.2 Ų78.272%0.72442%0.423SS*.Hα-helixtrans-90.2-34.1-172.7-46.90000113Q138 L139Q138-T141 PolarHBondContact O-N 3.02Å; L139-T141 VanDerWaalsContact C-N 3.27Å; L139-T141 PolarHBondContact O-N 3.46Å
142M42.6Very low57Low134 Ų13476.8 Ų76.866%0.6642%0.421SS*.Hα-helixtrans-87-34.3-168.6-125.7170.356.800114.7Q138Q138-M142 PolarHBondContact O-N 2.99Å; Q138-M142 VanDerWaalsContact O-N 3.07Å
143F51.5Low57.7Low130 Ų13079.8 Ų79.857%0.5744%0.438SS*.SBendtrans-1193.7-174-62.1-73.7000113.9L139 A147L139-F143 HydrophobicContact CD2-CD2 3.81Å; L139-F143 HydrophobicContact CD2-CE2 3.95Å; F143-A147 HydrophobicContact CB-CB 3.36Å; F143-A147 HydrophobicContact CG-CB 4.46Å
144G51.2Low58.8Low28 Ų2882.3 Ų82.329%0.28945%0.453SS..Hα-helixtrans73-179.217600000114.9L146 A147G144-L146 VanDerWaalsContact C-N 3.29Å; G144-L146 PolarHBondContact O-N 3.25Å; G144-A147 PolarHBondContact O-N 3.33Å; G144-A147 VanDerWaalsContact O-N 3.16Å
145Y51.6Low60Low87 Ų8779.2 Ų79.234%0.34143%0.43SS..Hα-helixtrans-56.1-35.4-173.4177.8-110.7000114.3A147 Y148 L149 G189 G190Y145-A147 PolarHBondContact O-N 3Å; Y145-Y148 WeakPolarHBondContact O-CB 3.5Å; Y145-Y148 PolarHBondContact O-N 3.39Å; Y145-L149 HydrophobicContact CD1-CD1 4.06Å; Y145-L149 HydrophobicContact CD1-CG 4.46Å; Y145-L149 HydrophobicContact CE1-CD1 3.5Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.5Å; Y145-L149 HydrophobicContact CE1-CG 4.05Å; Y145-L149 HydrophobicContact CE2-CD2 4.37Å; Y145-L149 HydrophobicContact CE2-CG 4.39Å; Y145-L149 PolarHBondContact O-N 3.01Å; Y145-L149 VanDerWaalsContact O-N 3.09Å; Y145-G189 WeakPolarHBondContact CE2-O 3.42Å; Y145-G189 PolarHBondContact OH-O 2.76Å; Y145-G190 WeakPolarHBondContact OH-CA 3.35Å
146L53Low61.3Low134 Ų13478.5 Ų78.570%0.70243%0.425SS*.Hα-helixtrans-65.1-36.1179.5-65.8179000113.1G144 Y148 L149 A150G144-L146 VanDerWaalsContact C-N 3.29Å; G144-L146 PolarHBondContact O-N 3.25Å; L146-Y148 VanDerWaalsContact C-N 3.32Å; L146-L149 PolarHBondContact O-N 3.39Å; L146-A150 WeakPolarHBondContact O-CB 3.42Å; L146-A150 PolarHBondContact O-N 3.5Å
147A58.7Low62.6Low30 Ų3078.6 Ų78.625%0.24843%0.426CS..Hα-helixtrans-68.3-35.717700000111.6F143 G144 Y145 A150 K151F143-A147 HydrophobicContact CB-CB 3.36Å; F143-A147 HydrophobicContact CG-CB 4.46Å; G144-A147 PolarHBondContact O-N 3.33Å; G144-A147 VanDerWaalsContact O-N 3.16Å; Y145-A147 PolarHBondContact O-N 3Å; A147-A150 PolarHBondContact O-N 2.82Å; A147-K151 WeakPolarHBondContact O-CB 3.27Å; A147-K151 PolarHBondContact O-N 3.04Å
148Y60.4Low64Low86 Ų8676 Ų7634%0.33741%0.413SS..Hα-helixtrans-63.1-45.4173.6-176.9-102.4000111.5K140 Y145 L146 K151 G152K140-Y148 HydrophobicContact CG-CD2 3.99Å; K140-Y148 HydrophobicContact CG-CE2 4.43Å; Y145-Y148 WeakPolarHBondContact O-CB 3.5Å; Y145-Y148 PolarHBondContact O-N 3.39Å; L146-Y148 VanDerWaalsContact C-N 3.32Å; Y148-K151 PolarHBondContact O-N 3.12Å; Y148-G152 PolarHBondContact O-N 3.07Å
149L66.3Low65.9Low52 Ų5269 Ų6927%0.27238%0.38SS..Hα-helixtrans-61.5-45.8174.3-68.4-177.6000112.3Y145 L146 K151 G152 V153 F191Y145-L149 HydrophobicContact CD1-CD1 4.06Å; Y145-L149 HydrophobicContact CD1-CG 4.46Å; Y145-L149 HydrophobicContact CE1-CD1 3.5Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.5Å; Y145-L149 HydrophobicContact CE1-CG 4.05Å; Y145-L149 HydrophobicContact CE2-CD2 4.37Å; Y145-L149 HydrophobicContact CE2-CG 4.39Å; Y145-L149 PolarHBondContact O-N 3.01Å; Y145-L149 VanDerWaalsContact O-N 3.09Å; L146-L149 PolarHBondContact O-N 3.39Å; L149-K151 VanDerWaalsContact C-N 3.31Å; L149-K151 PolarHBondContact O-N 3.35Å; L149-G152 PolarHBondContact O-N 2.85Å; L149-G152 VanDerWaalsContact O-N 3.15Å; L149-V153 PolarHBondContact O-N 2.86Å; L149-F191 HydrophobicContact CD2-CE2 4.19Å; L149-F191 HydrophobicContact CD2-CZ 4.49Å
150A67.6Low67.8Low62 Ų6273.4 Ų73.451%0.51239%0.393SS..Hα-helixtrans-60.2-42.4178.600000111.7L146 A147 G152 V153 E154L146-A150 WeakPolarHBondContact O-CB 3.42Å; L146-A150 PolarHBondContact O-N 3.5Å; A147-A150 PolarHBondContact O-N 2.82Å; A150-G152 VanDerWaalsContact C-N 3.34Å; A150-G152 PolarHBondContact O-N 3.13Å; A150-V153 PolarHBondContact O-N 2.9Å; A150-E154 PolarHBondContact O-N 3.43Å
151K69.6Low69.9Low55 Ų5571.4 Ų71.424%0.23939%0.389CS..Hα-helixtrans-65-39175.7-169.653.2168179.60111.8V135 A147 Y148 L149 V153 E154 L155V135-K151 HydrophobicContact CG1-CG 4.04Å; V135-K151 HydrophobicContact CG2-CG 3.72Å; A147-K151 WeakPolarHBondContact O-CB 3.27Å; A147-K151 PolarHBondContact O-N 3.04Å; Y148-K151 PolarHBondContact O-N 3.12Å; L149-K151 VanDerWaalsContact C-N 3.31Å; L149-K151 PolarHBondContact O-N 3.35Å; K151-V153 VanDerWaalsContact C-N 3.33Å; K151-V153 PolarHBondContact O-N 2.8Å; K151-E154 HydrophobicContact CD-CB 4.35Å; K151-E154 WeakPolarHBondContact CD-OE2 3.3Å; K151-E154 IonicContact NZ-OE1 3.51Å; K151-E154 PolarHBondContact NZ-OE1 3.15Å; K151-E154 IonicContact NZ-OE2 3.96Å; K151-E154 PolarHBondContact NZ-OE2 3.41Å; K151-E154 WeakPolarHBondContact O-CB 3.41Å; K151-E154 PolarHBondContact O-N 3.26Å; K151-L155 WeakPolarHBondContact O-CG 3.34Å; K151-L155 PolarHBondContact O-N 3.49Å
152G75.2Confident71.9Confident19 Ų1966.7 Ų66.720%0.19636%0.36CS..Hα-helixtrans-56.7-45172.900000112.5F128 Y148 L149 A150 L155F128-G152 WeakPolarHBondContact CE2-O 3.19Å; Y148-G152 PolarHBondContact O-N 3.07Å; L149-G152 PolarHBondContact O-N 2.85Å; L149-G152 VanDerWaalsContact O-N 3.15Å; A150-G152 VanDerWaalsContact C-N 3.34Å; A150-G152 PolarHBondContact O-N 3.13Å; G152-L155 PolarHBondContact O-N 3.33Å
153V76.7Confident74.5Confident89 Ų8962.5 Ų62.554%0.53934%0.342SS..Hα-helixtrans-64.6-40.2176.8176.90000111.9L149 A150 K151 L155 L156L149-V153 PolarHBondContact O-N 2.86Å; A150-V153 PolarHBondContact O-N 2.9Å; K151-V153 VanDerWaalsContact C-N 3.33Å; K151-V153 PolarHBondContact O-N 2.8Å; V153-L155 PolarHBondContact O-N 3.03Å; V153-L156 HydrophobicContact CG1-CD1 4.31Å; V153-L156 WeakPolarHBondContact O-CB 3.29Å; V153-L156 WeakPolarHBondContact O-CG 3.41Å; V153-L156 PolarHBondContact O-N 3.03Å
154E81.1Confident76.7Confident125 Ų12556.3 Ų56.358%0.58432%0.315SS*.Hα-helixtrans-59.4-31.1177.2-165.3-162.5136.400112.6A150 K151 P157A150-E154 PolarHBondContact O-N 3.43Å; K151-E154 HydrophobicContact CD-CB 4.35Å; K151-E154 WeakPolarHBondContact CD-OE2 3.3Å; K151-E154 IonicContact NZ-OE1 3.51Å; K151-E154 PolarHBondContact NZ-OE1 3.15Å; K151-E154 IonicContact NZ-OE2 3.96Å; K151-E154 PolarHBondContact NZ-OE2 3.41Å; K151-E154 WeakPolarHBondContact O-CB 3.41Å; K151-E154 PolarHBondContact O-N 3.26Å; E154-P157 VanDerWaalsContact O-CD 3.31Å; E154-P157 WeakPolarHBondContact O-CD 3.29Å
155L82.8Confident78.9Confident19 Ų1958.3 Ų58.310%0.09931%0.314CS..Hα-helixtrans-81.7-16.3-179-65173.1000113.5F128 L131 T132 V135 K151 G152 V153 P157 G158F128-L155 HydrophobicContact CE2-CB 4.07Å; L131-L155 HydrophobicContact CB-CB 4.26Å; L131-L155 HydrophobicContact CB-CD1 3.99Å; L131-L155 HydrophobicContact CB-CD2 4.12Å; L131-L155 HydrophobicContact CB-CG 4.33Å; L131-L155 HydrophobicContact CD1-CB 4.24Å; L131-L155 WeakPolarHBondContact CD1-O 3.25Å; L131-L155 HydrophobicContact CD2-CD2 4.48Å; T132-L155 HydrophobicContact CG2-CD1 4.35Å; V135-L155 HydrophobicContact CG2-CD1 4.03Å; K151-L155 WeakPolarHBondContact O-CG 3.34Å; K151-L155 PolarHBondContact O-N 3.49Å; G152-L155 PolarHBondContact O-N 3.33Å; V153-L155 PolarHBondContact O-N 3.03Å; L155-P157 VanDerWaalsContact C-CD 3.43Å; L155-G158 PolarHBondContact O-N 3.05Å
156L84.4Confident81.2Confident10 Ų1054.2 Ų54.25%0.05230%0.298CS..G310 helixtrans-55.4-40.3-175.5-62.8178.5000114.8F128 V153 G158 I159 M179 L215 I218 L219 I222F128-L156 HydrophobicContact CD2-CD2 4.31Å; F128-L156 HydrophobicContact CE2-CD2 3.88Å; V153-L156 HydrophobicContact CG1-CD1 4.31Å; V153-L156 WeakPolarHBondContact O-CB 3.29Å; V153-L156 WeakPolarHBondContact O-CG 3.41Å; V153-L156 PolarHBondContact O-N 3.03Å; L156-G158 PolarHBondContact O-N 3.16Å; L156-I159 HydrophobicContact CB-CD1 4.21Å; L156-I159 HydrophobicContact CD2-CD1 3.52Å; L156-I159 HydrophobicContact CG-CD1 4.47Å; L156-I159 VanDerWaalsContact O-CB 3.32Å; L156-I159 WeakPolarHBondContact O-CB 3.48Å; L156-I159 WeakPolarHBondContact O-CD1 3.49Å; L156-I159 VanDerWaalsContact O-CG1 3.3Å; L156-I159 WeakPolarHBondContact O-CG1 3.34Å; L156-I159 PolarHBondContact O-N 2.91Å; L156-I159 VanDerWaalsContact O-N 3.14Å; L156-M179 HydrophobicContact CD2-CE 4.48Å; L156-L215 HydrophobicContact CB-CD1 3.61Å; L156-L215 HydrophobicContact CD1-CD1 4.14Å; L156-I218 HydrophobicContact CD1-CG2 4.35Å; L156-I218 HydrophobicContact CD2-CG2 4.1Å; L156-L219 HydrophobicContact CD1-CD2 4.34Å; L156-I222 HydrophobicContact CD1-CD1 4.29Å
157P85Confident83.3Confident79 Ų7951.7 Ų51.751%0.51328%0.282SS..G310 helixtrans-63.2-22178.5-2335.4000114.4E154 L155 I159 R160 L215E154-P157 VanDerWaalsContact O-CD 3.31Å; E154-P157 WeakPolarHBondContact O-CD 3.29Å; L155-P157 VanDerWaalsContact C-CD 3.43Å; P157-I159 VanDerWaalsContact C-N 3.31Å; P157-R160 PolarHBondContact O-NH1 2.77Å; P157-L215 HydrophobicContact CG-CD2 4.46Å
158G85.3Confident85.1Confident38 Ų3851.4 Ų51.439%0.39228%0.275SS..G310 helixtrans-78.7-12.4177.900000114L155 L156L155-G158 PolarHBondContact O-N 3.05Å; L156-G158 PolarHBondContact O-N 3.16Å
159I88.2Confident86.7Confident0 Ų052.9 Ų52.90%029%0.285CS..  trans-62.9138.2-176.9-65.9169.4000110.6F128 L156 P157 S178 M179 A213 I218F128-I159 HydrophobicContact CB-CD1 4.41Å; F128-I159 HydrophobicContact CB-CG1 4.28Å; F128-I159 HydrophobicContact CD2-CD1 3.74Å; F128-I159 HydrophobicContact CD2-CG1 3.96Å; F128-I159 HydrophobicContact CE2-CD1 4.49Å; F128-I159 HydrophobicContact CG-CD1 4.42Å; L156-I159 HydrophobicContact CB-CD1 4.21Å; L156-I159 HydrophobicContact CD2-CD1 3.52Å; L156-I159 HydrophobicContact CG-CD1 4.47Å; L156-I159 VanDerWaalsContact O-CB 3.32Å; L156-I159 WeakPolarHBondContact O-CB 3.48Å; L156-I159 WeakPolarHBondContact O-CD1 3.49Å; L156-I159 VanDerWaalsContact O-CG1 3.3Å; L156-I159 WeakPolarHBondContact O-CG1 3.34Å; L156-I159 PolarHBondContact O-N 2.91Å; L156-I159 VanDerWaalsContact O-N 3.14Å; P157-I159 VanDerWaalsContact C-N 3.31Å; I159-S178 VanDerWaalsContact CG2-CB 3.48Å; I159-M179 HydrophobicContact CD1-CE 3.31Å; I159-M179 HydrophobicContact CG1-CE 4.39Å; I159-A213 HydrophobicContact CG2-CB 4.01Å; I159-I218 HydrophobicContact CB-CD1 4.5Å; I159-I218 HydrophobicContact CD1-CD1 3.82Å; I159-I218 HydrophobicContact CG2-CD1 4.25Å
160R91.2Very high87.9Confident153 Ų15357.3 Ų57.358%0.57730%0.302SS*.  trans-132.7151.6173.9-60.6-64.5179.8-1000.7109.5S127 P157S127-R160 WeakPolarHBondContact CB-O 3.4Å; S127-R160 PolarHBondContact OG-N 2.92Å; S127-R160 PolarHBondContact OG-O 3.06Å; P157-R160 PolarHBondContact O-NH1 2.77Å
161T94.6Very high89.2Confident52 Ų5255.9 Ų55.932%0.31929%0.293SS..  trans-77.9149.7166.553.20000110.2D176 V177 A213T161-D176 HydrophobicContact CG2-CB 4.41Å; T161-V177 CarbonylContact C-O 3.54Å; T161-V177 VanDerWaalsContact CA-O 3.25Å; T161-V177 WeakPolarHBondContact CA-O 3.14Å; T161-A213 HydrophobicContact CG2-CB 3.96Å
162V94.1Very high90.6Very high19 Ų1957.1 Ų57.112%0.11531%0.306CS..EExtended strand (participates in β ladder)trans-130.4137.9173.7-70.40000108.4V164 V177 M255V162-V164 HydrophobicContact CG2-CG1 4.2Å; V162-V177 HydrophobicContact CG2-CG2 4.48Å; V162-V177 WeakPolarHBondContact CG2-O 3.33Å; V162-V177 PolarHBondContact N-O 3.25Å; V162-V177 PolarHBondContact O-N 3.2Å; V162-M255 HydrophobicContact CB-CE 4.36Å; V162-M255 HydrophobicContact CG2-CE 3.46Å; V162-M255 VanDerWaalsContact CG2-CE 3.46Å
163P96.6Very high91.6Very high45 Ų4557.7 Ų57.729%0.29230%0.303SS..EExtended strand (participates in β ladder)trans-72.5130.8177.430.6-35.1000109.2D176 L250P163-D176 VanDerWaalsContact CA-OD1 3.29Å; P163-D176 WeakPolarHBondContact CA-OD1 3.44Å; P163-D176 WeakPolarHBondContact CB-OD1 2.9Å; P163-L250 HydrophobicContact CB-CB 4.08Å; P163-L250 HydrophobicContact CG-CB 4.27Å; P163-L250 PolarHBondContact O-N 2.9Å
164V97.5Very high92.6Very high0 Ų059.1 Ų59.10%030%0.304CS..EExtended strand (participates in β ladder)trans-135.1154.1-179.1-60.10000111.2V162 I166 F173 E174 G175 V177 I180 E248 M255V162-V164 HydrophobicContact CG2-CG1 4.2Å; V164-I166 HydrophobicContact CB-CG1 4.36Å; V164-I166 HydrophobicContact CG2-CD1 3.93Å; V164-I166 HydrophobicContact CG2-CG1 3.95Å; V164-F173 HydrophobicContact CG2-CD1 4.31Å; V164-F173 HydrophobicContact CG2-CE1 4.14Å; V164-E174 WeakPolarHBondContact O-CA 3.41Å; V164-G175 WeakPolarHBondContact CG2-O 3.32Å; V164-G175 PolarHBondContact N-O 3.5Å; V164-G175 PolarHBondContact O-N 3.03Å; V164-V177 HydrophobicContact CB-CG2 4.34Å; V164-V177 HydrophobicContact CG1-CG2 3.84Å; V164-V177 HydrophobicContact CG2-CB 4.39Å; V164-V177 HydrophobicContact CG2-CG1 4Å; V164-V177 HydrophobicContact CG2-CG2 3.51Å; V164-I180 HydrophobicContact CG1-CD1 4.3Å; V164-E248 CarbonylContact C-O 3.53Å; V164-E248 WeakPolarHBondContact CA-O 3.46Å; V164-M255 HydrophobicContact CG1-CE 3.41Å; V164-M255 VanDerWaalsContact CG1-CE 3.41Å; V164-M255 HydrophobicContact CG1-SD 4.45Å
165R98.1Very high93.3Very high71 Ų7154.3 Ų54.327%0.26829%0.288SS..EExtended strand (participates in β ladder)trans-113.4125160.6-177.8-177.6-61.8129.31.2108.2T172 F173 E174 E248 L250R165-T172 HydrophobicContact CG-CG2 3.64Å; R165-F173 CarbonylContact C-O 3.6Å; R165-F173 WeakPolarHBondContact CA-O 3.42Å; R165-E174 IonicContact CZ-OE2 2.85Å; R165-E174 IonicContact NE-OE2 3.69Å; R165-E174 PolarHBondContact NE-OE2 2.9Å; R165-E174 IonicContact NH2-OE2 3.37Å; R165-E174 PolarHBondContact NH2-OE2 3.23Å; R165-E248 HydrophobicContact CB-CB 4.35Å; R165-E248 IonicContact CZ-OE2 2.93Å; R165-E248 PolarHBondContact N-O 3.08Å; R165-E248 IonicContact NH1-OE1 2.82Å; R165-E248 IonicContact NH1-OE2 2.97Å; R165-E248 PolarHBondContact NH1-OE2 3.44Å; R165-E248 PolarHBondContact O-N 3.41Å; R165-L250 HydrophobicContact CB-CD1 4.21Å; R165-L250 HydrophobicContact CB-CD2 3.97Å; R165-L250 HydrophobicContact CB-CG 4.2Å
166I98Very high94Very high0 Ų057.7 Ų57.70%031%0.306CS..EExtended strand (participates in β ladder)trans-123.5111.3177.9-55.7175.8000108.3V164 T172 F173 I180 L207 L209 L245 E246 I247V164-I166 HydrophobicContact CB-CG1 4.36Å; V164-I166 HydrophobicContact CG2-CD1 3.93Å; V164-I166 HydrophobicContact CG2-CG1 3.95Å; I166-T172 WeakPolarHBondContact O-CA 3.45Å; I166-F173 HydrophobicContact CB-CB 4.46Å; I166-F173 PolarHBondContact N-O 2.9Å; I166-F173 PolarHBondContact O-N 3.41Å; I166-I180 HydrophobicContact CD1-CD1 3.8Å; I166-I180 HydrophobicContact CD1-CG1 4.18Å; I166-I180 HydrophobicContact CD1-CG2 4.32Å; I166-L207 HydrophobicContact CG2-CD2 4.07Å; I166-L209 HydrophobicContact CD1-CD1 3.91Å; I166-L209 HydrophobicContact CD1-CD2 3.42Å; I166-L209 VanDerWaalsContact CD1-CD2 3.42Å; I166-L209 HydrophobicContact CD1-CG 4.33Å; I166-L245 HydrophobicContact CG2-CB 4.36Å; I166-E246 CarbonylContact C-O 3.55Å; I166-E246 VanDerWaalsContact CA-O 3.28Å; I166-E246 WeakPolarHBondContact CA-O 3.4Å; I166-I247 HydrophobicContact CG1-CG1 4.48Å; I166-I247 HydrophobicContact CG1-CG2 4.42Å; I166-I247 HydrophobicContact CG2-CG1 4.44Å
167K98.2Very high94.6Very high82 Ų8257.2 Ų57.236%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-88.8138.8171.4-54.6-176.2-162.1140.80109.2T172 L245 E246K167-T172 HydrophobicContact CG-CG2 4.2Å; K167-L245 CarbonylContact O-C 3.51Å; K167-L245 WeakPolarHBondContact O-CA 3.43Å; K167-E246 HydrophobicContact CB-CB 4.29Å; K167-E246 WeakPolarHBondContact CD-OE2 3.46Å; K167-E246 PolarHBondContact N-O 2.88Å; K167-E246 IonicContact NZ-OE2 3.87Å; K167-E246 PolarHBondContact NZ-OE2 2.61Å; K167-E246 PolarHBondContact O-N 3.29Å
168H97.1Very high95Very high24 Ų2453.4 Ų53.411%0.11128%0.279CS..EExtended strand (participates in β ladder)trans-147.2172.8176.75577.1000109.4K170 G171 T242 F244H168-K170 PolarHBondContact ND1-N 3.23Å; H168-K170 PolarHBondContact O-N 3.16Å; H168-K170 VanDerWaalsContact O-N 3.14Å; H168-G171 PolarHBondContact CE1-N 3.45Å; H168-G171 PolarHBondContact N-O 3.23Å; H168-G171 PolarHBondContact ND1-N 3.04Å; H168-G171 PolarHBondContact O-N 3.02Å; H168-T242 HydrophobicContact CB-CG2 4.07Å; H168-F244 WeakPolarHBondContact CA-O 3.24Å
169E93.5Very high95.4Very high116 Ų11652.5 Ų52.554%0.54226%0.264SS..THydrogen-bonded Turntrans-52.4-41.9-176.6-172.1-164.8163.600112.6G171 K204 T242E169-G171 VanDerWaalsContact C-N 3.32Å; E169-G171 PolarHBondContact O-N 3.17Å; E169-K204 IonicContact OE1-NZ 2.75Å; E169-K204 IonicContact OE2-NZ 3.44Å; E169-K204 PolarHBondContact OE2-NZ 3.46Å; E169-T242 PolarHBondContact N-OG1 3.17Å; E169-T242 VanDerWaalsContact N-OG1 3.16Å
170K91.1Very high95.7Very high145 Ų14552.6 Ų52.663%0.6327%0.265SS*.THydrogen-bonded Turntrans-79.7-0-178.2-56-176.6-176.9176.20115.7H168 I240 K241H168-K170 PolarHBondContact ND1-N 3.23Å; H168-K170 PolarHBondContact O-N 3.16Å; H168-K170 VanDerWaalsContact O-N 3.14Å; K170-I240 HydrophobicContact CD-CG2 4.3Å; K170-K241 WeakPolarHBondContact CE-O 3.2Å
171G95.7Very high95.8Very high32 Ų3246.9 Ų46.933%0.3324%0.244SC..EExtended strand (participates in β ladder)trans139-146.2-179.900000114.7H168 E169H168-G171 PolarHBondContact CE1-N 3.45Å; H168-G171 PolarHBondContact N-O 3.23Å; H168-G171 PolarHBondContact ND1-N 3.04Å; H168-G171 PolarHBondContact O-N 3.02Å; E169-G171 VanDerWaalsContact C-N 3.32Å; E169-G171 PolarHBondContact O-N 3.17Å
172T97.4Very high95.8Very high82 Ų8244.4 Ų44.450%0.50323%0.229SC..EExtended strand (participates in β ladder)trans-135.3125.1-179.4-59.90000109.7R165 I166 K167R165-T172 HydrophobicContact CG-CG2 3.64Å; I166-T172 WeakPolarHBondContact O-CA 3.45Å; K167-T172 HydrophobicContact CG-CG2 4.2Å
173F97.6Very high95.7Very high30 Ų3043.6 Ų43.613%0.13222%0.224CC..EExtended strand (participates in β ladder)trans-89.7128.8165.7176.2-86.6000108.8V164 R165 I166 V177 L209 K211 E238V164-F173 HydrophobicContact CG2-CD1 4.31Å; V164-F173 HydrophobicContact CG2-CE1 4.14Å; R165-F173 CarbonylContact C-O 3.6Å; R165-F173 WeakPolarHBondContact CA-O 3.42Å; I166-F173 HydrophobicContact CB-CB 4.46Å; I166-F173 PolarHBondContact N-O 2.9Å; I166-F173 PolarHBondContact O-N 3.41Å; F173-V177 HydrophobicContact CE1-CG1 3.58Å; F173-V177 HydrophobicContact CZ-CG1 3.91Å; F173-L209 HydrophobicContact CB-CD1 4.09Å; F173-L209 HydrophobicContact CD1-CD1 3.61Å; F173-L209 HydrophobicContact CD2-CD1 3.89Å; F173-L209 HydrophobicContact CE1-CD1 3.98Å; F173-L209 HydrophobicContact CE2-CD1 4.23Å; F173-L209 HydrophobicContact CG-CD1 3.57Å; F173-L209 HydrophobicContact CZ-CD1 4.27Å; F173-K211 HydrophobicContact CE2-CD 3.86Å; F173-K211 HydrophobicContact CZ-CD 4.02Å; F173-K211 HydrophobicContact CZ-CG 4.21Å; F173-E238 HydrophobicContact CD2-CG 4.3Å
174E97.5Very high95.4Very high120 Ų12041.5 Ų41.556%0.56121%0.211SC*.EExtended strand (participates in β ladder)trans-129.7121.7170.4-170.8167.812800108.8V164 R165 L250V164-E174 WeakPolarHBondContact O-CA 3.41Å; R165-E174 IonicContact CZ-OE2 2.85Å; R165-E174 IonicContact NE-OE2 3.69Å; R165-E174 PolarHBondContact NE-OE2 2.9Å; R165-E174 IonicContact NH2-OE2 3.37Å; R165-E174 PolarHBondContact NH2-OE2 3.23Å; E174-L250 HydrophobicContact CG-CD1 3.73Å
175G96.5Very high94.5Very high24 Ų2441.5 Ų41.525%0.24721%0.211CC..EExtended strand (participates in β ladder)trans164.8-174.3-176.600000114.2V164V164-G175 WeakPolarHBondContact CG2-O 3.32Å; V164-G175 PolarHBondContact N-O 3.5Å; V164-G175 PolarHBondContact O-N 3.03Å
176D96.2Very high93.5Very high89 Ų8940.5 Ų40.548%0.47621%0.211SC..EExtended strand (participates in β ladder)trans-88.6126-176.8-81.2-6.4000112.1T161 P163T161-D176 HydrophobicContact CG2-CB 4.41Å; P163-D176 VanDerWaalsContact CA-OD1 3.29Å; P163-D176 WeakPolarHBondContact CA-OD1 3.44Å; P163-D176 WeakPolarHBondContact CB-OD1 2.9Å
177V96.3Very high92Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-131.4146177-57.70000111.4T161 V162 V164 F173 I180 L209 V210T161-V177 CarbonylContact C-O 3.54Å; T161-V177 VanDerWaalsContact CA-O 3.25Å; T161-V177 WeakPolarHBondContact CA-O 3.14Å; V162-V177 HydrophobicContact CG2-CG2 4.48Å; V162-V177 WeakPolarHBondContact CG2-O 3.33Å; V162-V177 PolarHBondContact N-O 3.25Å; V162-V177 PolarHBondContact O-N 3.2Å; V164-V177 HydrophobicContact CB-CG2 4.34Å; V164-V177 HydrophobicContact CG1-CG2 3.84Å; V164-V177 HydrophobicContact CG2-CB 4.39Å; V164-V177 HydrophobicContact CG2-CG1 4Å; V164-V177 HydrophobicContact CG2-CG2 3.51Å; F173-V177 HydrophobicContact CE1-CG1 3.58Å; F173-V177 HydrophobicContact CZ-CG1 3.91Å; V177-I180 HydrophobicContact CG2-CD1 3.89Å; V177-I180 HydrophobicContact CG2-CG1 3.71Å; V177-L209 HydrophobicContact CG1-CB 4.06Å; V177-V210 CarbonylContact C-O 3.49Å; V177-V210 WeakPolarHBondContact CA-O 3.22Å
178S94.2Very high90.5Very high0 Ų037.8 Ų37.80%020%0.201CC..SBendtrans-94.3-33.7174.163.30000113S127 I159 V210 T212S127-S178 PolarHBondContact N-O 2.82Å; I159-S178 VanDerWaalsContact CG2-CB 3.48Å; S178-V210 PolarHBondContact N-O 3.47Å; S178-V210 WeakPolarHBondContact OG-CG1 3.47Å; S178-V210 PolarHBondContact OG-O 3.4Å; S178-T212 WeakPolarHBondContact CB-O 3.18Å; S178-T212 PolarHBondContact OG-O 3.1Å
179M93.6Very high88.8Confident19 Ų1938 Ų389%0.09421%0.209CC..EExtended strand (participates in β ladder)trans-141.9144.5179.7-54177.7-167.300109.7A125 F128 L156 I159 F181 V210A125-M179 WeakPolarHBondContact O-CA 3.43Å; F128-M179 HydrophobicContact CB-CE 3.92Å; F128-M179 HydrophobicContact CB-CG 4.03Å; F128-M179 HydrophobicContact CB-SD 4.33Å; F128-M179 HydrophobicContact CD1-CE 4.47Å; F128-M179 HydrophobicContact CD2-CE 4.15Å; F128-M179 HydrophobicContact CG-CE 3.93Å; L156-M179 HydrophobicContact CD2-CE 4.48Å; I159-M179 HydrophobicContact CD1-CE 3.31Å; I159-M179 HydrophobicContact CG1-CE 4.39Å; M179-F181 HydrophobicContact CB-CD2 4.49Å; M179-F181 HydrophobicContact CB-CE2 3.79Å; M179-F181 HydrophobicContact CB-CZ 3.95Å; M179-F181 HydrophobicContact CG-CE2 4.48Å; M179-F181 HydrophobicContact CG-CZ 4.36Å; M179-F181 HydrophobicContact SD-CE2 3.87Å; M179-F181 HydrophobicContact SD-CZ 3.7Å; M179-V210 HydrophobicContact CB-CB 4.06Å; M179-V210 HydrophobicContact CB-CG2 3.94Å; M179-V210 PolarHBondContact O-N 2.74Å; M179-V210 HydrophobicContact SD-CG2 4.44Å
180I94.8Very high87.3Confident1 Ų133.7 Ų33.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-125.5131.4172.9-56.9169.2000106.5A124 A125 V164 I166 V177 L207 L209 I247 M255A124-I180 CarbonylContact C-O 3.18Å; A124-I180 WeakPolarHBondContact CA-O 3.04Å; A125-I180 HydrophobicContact CB-CB 4.2Å; A125-I180 HydrophobicContact CB-CD1 4.29Å; A125-I180 PolarHBondContact N-O 2.72Å; A125-I180 PolarHBondContact O-N 3.39Å; V164-I180 HydrophobicContact CG1-CD1 4.3Å; I166-I180 HydrophobicContact CD1-CD1 3.8Å; I166-I180 HydrophobicContact CD1-CG1 4.18Å; I166-I180 HydrophobicContact CD1-CG2 4.32Å; V177-I180 HydrophobicContact CG2-CD1 3.89Å; V177-I180 HydrophobicContact CG2-CG1 3.71Å; I180-L207 HydrophobicContact CG2-CD1 3.91Å; I180-L209 HydrophobicContact CB-CD2 4.3Å; I180-L209 HydrophobicContact CG1-CD2 4.09Å; I180-L209 HydrophobicContact CG2-CD2 3.8Å; I180-I247 HydrophobicContact CD1-CG2 3.9Å; I180-I247 HydrophobicContact CG2-CD1 4.03Å; I180-M255 HydrophobicContact CD1-SD 4.28Å
181F93.8Very high86.2Confident33 Ų3330 Ų3015%0.14518%0.181CC..EExtended strand (participates in β ladder)trans-129.6128174.1-60.9-62.1000109.1I122 A123 A124 M179 L207 I208 V210I122-F181 HydrophobicContact CD1-CB 3.9Å; I122-F181 HydrophobicContact CD1-CD1 3.56Å; I122-F181 HydrophobicContact CD1-CE1 4.46Å; I122-F181 HydrophobicContact CD1-CG 4.06Å; A123-F181 CarbonylContact O-C 3.53Å; A123-F181 WeakPolarHBondContact O-CA 3.22Å; A124-F181 HydrophobicContact CB-CD1 3.68Å; A124-F181 HydrophobicContact CB-CE1 3.92Å; M179-F181 HydrophobicContact CB-CD2 4.49Å; M179-F181 HydrophobicContact CB-CE2 3.79Å; M179-F181 HydrophobicContact CB-CZ 3.95Å; M179-F181 HydrophobicContact CG-CE2 4.48Å; M179-F181 HydrophobicContact CG-CZ 4.36Å; M179-F181 HydrophobicContact SD-CE2 3.87Å; M179-F181 HydrophobicContact SD-CZ 3.7Å; F181-L207 CarbonylContact O-C 3.59Å; F181-L207 VanDerWaalsContact O-CA 3.25Å; F181-L207 WeakPolarHBondContact O-CA 3.48Å; F181-L207 WeakPolarHBondContact O-CD1 2.79Å; F181-I208 HydrophobicContact CB-CB 4.16Å; F181-I208 HydrophobicContact CD2-CB 4.34Å; F181-I208 PolarHBondContact N-O 2.94Å; F181-I208 PolarHBondContact O-N 3.25Å; F181-V210 HydrophobicContact CE2-CG2 4.37Å
182A94.5Very high85.1Confident1 Ų133.3 Ų33.31%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-11593.8165.900000107.5I122 A123 F205 L245 L271I122-A182 WeakPolarHBondContact CA-O 3.37Å; A123-A182 HydrophobicContact CB-CB 4.32Å; A123-A182 PolarHBondContact N-O 3.28Å; A123-A182 PolarHBondContact O-N 3.37Å; A182-F205 HydrophobicContact CB-CB 4.31Å; A182-F205 HydrophobicContact CB-CG 4.31Å; A182-L245 HydrophobicContact CB-CD1 4.15Å; A182-L245 HydrophobicContact CB-CD2 4.13Å; A182-L271 HydrophobicContact CB-CD1 4.14Å
183A91.4Very high84.2Confident1 Ų133.3 Ų33.31%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-92.5139.3-175.900000111.2I122 V188 A195 F205 T206I122-A183 HydrophobicContact CD1-CB 4.47Å; I122-A183 HydrophobicContact CG1-CB 4.47Å; A183-V188 HydrophobicContact CB-CG2 4.28Å; A183-A195 HydrophobicContact CB-CB 4.49Å; A183-F205 CarbonylContact O-C 3.46Å; A183-F205 WeakPolarHBondContact O-CA 3.43Å; A183-T206 PolarHBondContact N-O 2.91Å; A183-T206 PolarHBondContact O-N 3.05Å
184I89.7Confident83.4Confident1 Ų133.1 Ų33.11%0.00518%0.182CC..SBendtrans-95.2-42.2171.4-60.3158.7000109.2D109 F119 N121 F205D109-I184 HydrophobicContact CB-CG2 4.02Å; F119-I184 HydrophobicContact CD2-CD1 3.57Å; F119-I184 HydrophobicContact CE2-CD1 3.55Å; F119-I184 HydrophobicContact CE2-CG1 4.09Å; F119-I184 HydrophobicContact CG-CD1 4.49Å; F119-I184 HydrophobicContact CZ-CD1 4.46Å; F119-I184 WeakPolarHBondContact O-CD1 3.25Å; N121-I184 PolarHBondContact O-N 3.25Å; I184-F205 HydrophobicContact CD1-CE1 4.04Å; I184-F205 HydrophobicContact CG1-CD1 3.68Å; I184-F205 HydrophobicContact CG1-CE1 3.6Å
185T79.8Confident82.7Confident0 Ų027.4 Ų27.40%016%0.155CC..SBendtrans-100.8161.7-179.268.60000111.6F82 S187 L200F82-T185 HydrophobicContact CD2-CG2 4.46Å; T185-S187 VanDerWaalsContact C-N 3.26Å; T185-S187 PolarHBondContact O-N 3.5Å; T185-S187 PolarHBondContact OG1-O 2.82Å; T185-S187 VanDerWaalsContact OG1-O 3.13Å; T185-L200 HydrophobicContact CG2-CD2 3.84Å
186N76.6Confident81.9Confident50 Ų5028.4 Ų28.427%0.26716%0.157SC..SBendtrans-75-15.7173.965.7-10.1000113.5F191 E192 A195 A198N186-F191 VanDerWaalsContact O-O 3.12Å; N186-E192 CarbonylContact O-C 3.49Å; N186-E192 WeakPolarHBondContact O-CA 3.48Å; N186-A195 WeakPolarHBondContact CB-O 3.49Å; N186-A198 HydrophobicContact CB-CB 4.06Å
187S66.9Low81.4Confident3 Ų327.8 Ų27.82%0.02115%0.154CC..  trans-111.9108.1-173.71730000110.9T185 F191T185-S187 VanDerWaalsContact C-N 3.26Å; T185-S187 PolarHBondContact O-N 3.5Å; T185-S187 PolarHBondContact OG1-O 2.82Å; T185-S187 VanDerWaalsContact OG1-O 3.13Å; S187-F191 WeakPolarHBondContact CA-O 3.25Å
188V66.5Low80.8Confident22 Ų2228 Ų2813%0.13316%0.156CC..BIsolated β-bridgetrans-124.7119.4176.6-179.20000109.8I122 A183 G190 F191 I194I122-V188 HydrophobicContact CB-CG1 4.24Å; I122-V188 HydrophobicContact CB-CG2 4.25Å; I122-V188 HydrophobicContact CD1-CB 4.34Å; I122-V188 HydrophobicContact CD1-CG1 3.61Å; I122-V188 HydrophobicContact CD1-CG2 3.97Å; I122-V188 HydrophobicContact CG2-CG1 3.85Å; A183-V188 HydrophobicContact CB-CG2 4.28Å; V188-G190 PolarHBondContact O-N 2.95Å; V188-F191 PolarHBondContact N-O 3.43Å; V188-F191 VanDerWaalsContact N-O 3.12Å; V188-F191 PolarHBondContact O-N 3.18Å; V188-I194 HydrophobicContact CB-CG2 4.02Å; V188-I194 HydrophobicContact CG2-CG2 3.87Å
189G61.1Low80.4Confident28 Ų2830.9 Ų30.929%0.28917%0.168SC..THydrogen-bonded Turntrans60.132.3177.300000112.7D81 Y145D81-G189 PolarHBondContact OD2-N 3.49Å; D81-G189 VanDerWaalsContact OD2-N 3.13Å; Y145-G189 WeakPolarHBondContact CE2-O 3.42Å; Y145-G189 PolarHBondContact OH-O 2.76Å
190G61.6Low79.9Confident26 Ų2630.2 Ų30.227%0.26817%0.165SC..THydrogen-bonded Turntrans80.2-0.1-175.700000116.4Y145 V188Y145-G190 WeakPolarHBondContact OH-CA 3.35Å; V188-G190 PolarHBondContact O-N 2.95Å
191F68.5Low79.7Confident69 Ų6930.3 Ų30.330%0.30317%0.166SC..BIsolated β-bridgetrans-88105.6169.4-67.4-87.2000110L149 N186 S187 V188 Q193 I194 V225 L226L149-F191 HydrophobicContact CD2-CE2 4.19Å; L149-F191 HydrophobicContact CD2-CZ 4.49Å; N186-F191 VanDerWaalsContact O-O 3.12Å; S187-F191 WeakPolarHBondContact CA-O 3.25Å; V188-F191 PolarHBondContact N-O 3.43Å; V188-F191 VanDerWaalsContact N-O 3.12Å; V188-F191 PolarHBondContact O-N 3.18Å; F191-Q193 PolarHBondContact O-N 2.99Å; F191-I194 HydrophobicContact CB-CB 4.45Å; F191-V225 HydrophobicContact CD1-CG1 4.17Å; F191-L226 HydrophobicContact CD1-CD2 4.24Å; F191-L226 HydrophobicContact CE1-CD2 4.04Å
192E72.2Confident79.6Confident101 Ų10130.4 Ų30.447%0.47217%0.167SC..THydrogen-bonded Turntrans-79.7-1.1-178.6-60.1-178.2-179.700114.1R84 N186R84-E192 WeakPolarHBondContact CD-OE1 3.46Å; R84-E192 IonicContact NE-OE1 2.75Å; N186-E192 CarbonylContact O-C 3.49Å; N186-E192 WeakPolarHBondContact O-CA 3.48Å
193Q79.5Confident79.6Confident82 Ų8230.6 Ų30.638%0.38317%0.17SC..THydrogen-bonded Turntrans-125.512.2-171.1-64.8-69.5-25.100112.4F191 A195 V225 G229 H231F191-Q193 PolarHBondContact O-N 2.99Å; Q193-A195 VanDerWaalsContact C-N 3.3Å; Q193-V225 HydrophobicContact CB-CG1 4.47Å; Q193-V225 WeakPolarHBondContact CB-O 3.42Å; Q193-G229 WeakPolarHBondContact O-CA 3.32Å; Q193-H231 PolarHBondContact O-CE1 2.84Å
194I79.7Confident79.8Confident25 Ų2532.8 Ų32.813%0.12818%0.179CC..SBendtrans-69.1-34.8179.7-162.2168.9000111.3V188 F191 I208 H231V188-I194 HydrophobicContact CB-CG2 4.02Å; V188-I194 HydrophobicContact CG2-CG2 3.87Å; F191-I194 HydrophobicContact CB-CB 4.45Å; I194-I208 HydrophobicContact CG1-CD1 4.02Å; I194-I208 WeakPolarHBondContact O-CD1 3.45Å; I194-H231 PolarHBondContact O-CE1 2.82Å; I194-H231 VanDerWaalsContact O-CE1 3.29Å; I194-H231 PolarHBondContact O-NE2 3.28Å
195A83.1Confident80.1Confident0 Ų032.8 Ų32.80%018%0.179CC..SBendtrans-129.276.9173.800000107.5A183 N186 Q193 D197 A198 T206 Y239A183-A195 HydrophobicContact CB-CB 4.49Å; N186-A195 WeakPolarHBondContact CB-O 3.49Å; Q193-A195 VanDerWaalsContact C-N 3.3Å; A195-D197 PolarHBondContact O-N 3.33Å; A195-D197 VanDerWaalsContact O-N 3.12Å; A195-A198 HydrophobicContact CB-CB 3.76Å; A195-A198 WeakPolarHBondContact O-CB 3.17Å; A195-A198 PolarHBondContact O-N 3.4Å; A195-T206 HydrophobicContact CB-CG2 3.72Å; A195-Y239 WeakPolarHBondContact CA-OH 3.26Å
196P80.7Confident80.7Confident46 Ų4632.8 Ų32.830%0.29918%0.179SC..THydrogen-bonded Turntrans-64.6-20.1-167.427.7-36.6000113.4I232P196-I232 HydrophobicContact CG-CD1 4.19Å; P196-I232 HydrophobicContact CG-CG2 4.11Å
197D85.6Confident81.6Confident76 Ų7630.4 Ų30.441%0.40617%0.167SC..THydrogen-bonded Turntrans-108.717.3177.573.1-9.2000112.7A195 K199 Y239 K241A195-D197 PolarHBondContact O-N 3.33Å; A195-D197 VanDerWaalsContact O-N 3.12Å; D197-K199 PolarHBondContact O-N 3.06Å; D197-Y239 WeakPolarHBondContact OD1-CE1 3.44Å; D197-Y239 PolarHBondContact OD1-OH 2.7Å; D197-K241 PolarHBondContact O-NZ 3.5Å; D197-K241 WeakPolarHBondContact OD1-CE 3.39Å; D197-K241 IonicContact OD1-NZ 3.38Å; D197-K241 PolarHBondContact OD1-NZ 3.44Å
198A82.4Confident83Confident5 Ų530.5 Ų30.54%0.04117%0.167CC..  trans-68.8129.9174.900000110.7N186 A195N186-A198 HydrophobicContact CB-CB 4.06Å; A195-A198 HydrophobicContact CB-CB 3.76Å; A195-A198 WeakPolarHBondContact O-CB 3.17Å; A195-A198 PolarHBondContact O-N 3.4Å
199K85.4Confident84.4Confident60 Ų6029.5 Ų29.526%0.26116%0.161SC..  trans-108.7146.7172.9-63.8-169.8169.8-141.40108.8D197 D201 D202 A291 L292 V293D197-K199 PolarHBondContact O-N 3.06Å; K199-D201 VanDerWaalsContact C-N 3.27Å; K199-D201 PolarHBondContact O-N 3.36Å; K199-D202 HydrophobicContact CB-CB 3.82Å; K199-D202 HydrophobicContact CD-CB 4.29Å; K199-A291 WeakPolarHBondContact CA-O 3.39Å; K199-L292 PolarHBondContact NZ-O 2.79Å; K199-V293 HydrophobicContact CB-CG2 4.37Å; K199-V293 HydrophobicContact CD-CB 4.43Å; K199-V293 HydrophobicContact CD-CG2 3.5Å
200L84.1Confident86Confident4 Ų428.7 Ų28.72%0.02115%0.15CC..SBendtrans-79.8-10.5-173.9-60.1177.7000113.4M108 D109 T185 A291 L292M108-L200 WeakPolarHBondContact CA-O 3.44Å; M108-L200 HydrophobicContact CE-CB 4.08Å; M108-L200 HydrophobicContact CE-CD1 4.07Å; M108-L200 HydrophobicContact CE-CD2 3.95Å; M108-L200 HydrophobicContact CE-CG 4.24Å; M108-L200 HydrophobicContact CG-CB 4.48Å; D109-L200 PolarHBondContact N-O 2.77Å; T185-L200 HydrophobicContact CG2-CD2 3.84Å; L200-A291 PolarHBondContact N-O 2.72Å; L200-L292 HydrophobicContact CB-CD2 4.16Å; L200-L292 HydrophobicContact CD1-CD2 4.49Å
201D89.7Confident87.7Confident4 Ų430.6 Ų30.62%0.02115%0.151CC..SBendtrans-142.211.9-163.965.3-24.5000113.3Q107 D109 K199 G203 K275 N276 L292 V293 W294Q107-D201 WeakPolarHBondContact O-CB 3.29Å; D109-D201 WeakPolarHBondContact OD1-CA 3.39Å; K199-D201 VanDerWaalsContact C-N 3.27Å; K199-D201 PolarHBondContact O-N 3.36Å; D201-G203 VanDerWaalsContact C-N 3.3Å; D201-G203 PolarHBondContact O-N 3.12Å; D201-K275 VanDerWaalsContact O-CE 3.26Å; D201-K275 WeakPolarHBondContact O-CE 3.44Å; D201-N276 PolarHBondContact O-OD1 2.88Å; D201-L292 WeakPolarHBondContact OD1-CA 3.43Å; D201-V293 VanDerWaalsContact CG-N 3.31Å; D201-V293 PolarHBondContact OD1-N 3.05Å; D201-V293 PolarHBondContact OD2-N 2.77Å; D201-W294 PolarHBondContact OD2-N 2.78Å
202D92.8Very high89Confident34 Ų3427.8 Ų27.818%0.18214%0.139CC..SBendtrans-82.9-5-176.273.6-3.9000114.4K199 K204 V293K199-D202 HydrophobicContact CB-CB 3.82Å; K199-D202 HydrophobicContact CD-CB 4.29Å; D202-K204 VanDerWaalsContact C-N 3.29Å; D202-K204 WeakPolarHBondContact OD1-CA 3.43Å; D202-K204 WeakPolarHBondContact OD1-CB 3.49Å; D202-K204 PolarHBondContact OD1-N 3.48Å; D202-V293 HydrophobicContact CB-CG2 3.4Å; D202-V293 VanDerWaalsContact CB-CG2 3.4Å
203G94.8Very high90Very high6 Ų624.4 Ų24.46%0.06213%0.129CC..SBendtrans73.915.2-175.300000113.5D109 D201 D243 N273D109-G203 PolarHBondContact OD1-N 3.35Å; D109-G203 WeakPolarHBondContact OD2-CA 3.46Å; D109-G203 PolarHBondContact OD2-N 2.94Å; D201-G203 VanDerWaalsContact C-N 3.3Å; D201-G203 PolarHBondContact O-N 3.12Å; G203-D243 VanDerWaalsContact O-CB 3.28Å; G203-D243 WeakPolarHBondContact O-CB 3.41Å; G203-N273 WeakPolarHBondContact CA-OD1 3.48Å
204K95.5Very high90.7Very high47 Ų4724.4 Ų24.420%0.20413%0.131CC..  trans-124.7135-173.3-57.2-65.1175.8-176.60111.8D109 E169 D202 K241 D243 N273D109-K204 PolarHBondContact OD2-N 2.92Å; E169-K204 IonicContact OE1-NZ 2.75Å; E169-K204 IonicContact OE2-NZ 3.44Å; E169-K204 PolarHBondContact OE2-NZ 3.46Å; D202-K204 VanDerWaalsContact C-N 3.29Å; D202-K204 WeakPolarHBondContact OD1-CA 3.43Å; D202-K204 WeakPolarHBondContact OD1-CB 3.49Å; D202-K204 PolarHBondContact OD1-N 3.48Å; K204-K241 HydrophobicContact CB-CB 4.27Å; K204-K241 HydrophobicContact CB-CD 4.4Å; K204-K241 HydrophobicContact CG-CB 4.47Å; K204-D243 HydrophobicContact CD-CB 4.12Å; K204-D243 IonicContact NZ-OD2 3.5Å; K204-D243 PolarHBondContact NZ-OD2 3.26Å; K204-N273 PolarHBondContact N-ND2 2.8Å; K204-N273 PolarHBondContact O-ND2 3.01Å
205F94.8Very high91.3Very high0 Ų026.6 Ų26.60%014%0.143CC..EExtended strand (participates in β ladder)trans-69.5146.9154.9-60.8-57.9000110.3F119 A182 A183 I184 K241 T242 L245 L271 R272 N273F119-F205 HydrophobicContact CE1-CE1 4.48Å; F119-F205 HydrophobicContact CE1-CZ 4.3Å; F119-F205 HydrophobicContact CE2-CD1 4.46Å; F119-F205 AromaticContact CE2-CE1 3.71Å; F119-F205 HydrophobicContact CE2-CE1 3.71Å; F119-F205 HydrophobicContact CE2-CZ 4.3Å; F119-F205 HydrophobicContact CZ-CD1 4.42Å; F119-F205 AromaticContact CZ-CE1 3.44Å; F119-F205 HydrophobicContact CZ-CE1 3.44Å; F119-F205 VanDerWaalsContact CZ-CE1 3.44Å; F119-F205 AromaticContact CZ-CZ 3.56Å; F119-F205 HydrophobicContact CZ-CZ 3.56Å; A182-F205 HydrophobicContact CB-CB 4.31Å; A182-F205 HydrophobicContact CB-CG 4.31Å; A183-F205 CarbonylContact O-C 3.46Å; A183-F205 WeakPolarHBondContact O-CA 3.43Å; I184-F205 HydrophobicContact CD1-CE1 4.04Å; I184-F205 HydrophobicContact CG1-CD1 3.68Å; I184-F205 HydrophobicContact CG1-CE1 3.6Å; F205-K241 WeakPolarHBondContact O-CA 3.35Å; F205-T242 WeakPolarHBondContact CB-O 3.46Å; F205-T242 PolarHBondContact N-O 3.47Å; F205-T242 PolarHBondContact O-N 2.94Å; F205-T242 VanDerWaalsContact O-N 3.08Å; F205-L245 HydrophobicContact CD2-CD2 3.39Å; F205-L245 HydrophobicContact CE2-CD2 3.78Å; F205-L245 HydrophobicContact CG-CD2 4.24Å; F205-L271 HydrophobicContact CE2-CB 3.97Å; F205-L271 HydrophobicContact CZ-CB 4.34Å; F205-R272 VanDerWaalsContact CZ-O 3.26Å; F205-R272 WeakPolarHBondContact CZ-O 3.4Å; F205-N273 HydrophobicContact CD1-CB 4.22Å; F205-N273 HydrophobicContact CD2-CB 3.96Å; F205-N273 HydrophobicContact CE1-CB 4.04Å; F205-N273 HydrophobicContact CE2-CB 3.81Å; F205-N273 HydrophobicContact CG-CB 4.19Å; F205-N273 HydrophobicContact CZ-CB 3.86Å; F205-N273 VanDerWaalsContact CZ-N 3.33Å
206T94.1Very high91.8Very high1 Ų132.9 Ų32.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-91.5102.2158.6-53.90000109.1A183 A195 I208 Y239 K241A183-T206 PolarHBondContact N-O 2.91Å; A183-T206 PolarHBondContact O-N 3.05Å; A195-T206 HydrophobicContact CB-CG2 3.72Å; T206-I208 HydrophobicContact CG2-CD1 4.39Å; T206-I208 HydrophobicContact CG2-CG1 4.08Å; T206-Y239 HydrophobicContact CG2-CD2 4.2Å; T206-Y239 HydrophobicContact CG2-CE1 3.9Å; T206-Y239 HydrophobicContact CG2-CE2 3.36Å; T206-Y239 WeakPolarHBondContact CG2-OH 3.11Å; T206-K241 PolarHBondContact OG1-NZ 3.46Å
207L95.4Very high92.5Very high0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans-84121.3174.6179.261.1000110.4I166 I180 F181 L209 Y239 I240 T242 L245I166-L207 HydrophobicContact CG2-CD2 4.07Å; I180-L207 HydrophobicContact CG2-CD1 3.91Å; F181-L207 CarbonylContact O-C 3.59Å; F181-L207 VanDerWaalsContact O-CA 3.25Å; F181-L207 WeakPolarHBondContact O-CA 3.48Å; F181-L207 WeakPolarHBondContact O-CD1 2.79Å; L207-L209 HydrophobicContact CD1-CD2 3.61Å; L207-L209 HydrophobicContact CD1-CG 4.49Å; L207-L209 HydrophobicContact CD2-CD2 4.28Å; L207-L209 HydrophobicContact CG-CD2 3.9Å; L207-L209 HydrophobicContact CG-CG 4.28Å; L207-Y239 WeakPolarHBondContact O-CA 3.18Å; L207-I240 WeakPolarHBondContact CA-O 3.35Å; L207-I240 HydrophobicContact CB-CB 4.23Å; L207-I240 VanDerWaalsContact CB-O 3.31Å; L207-I240 WeakPolarHBondContact CB-O 3.37Å; L207-I240 HydrophobicContact CD2-CB 4.48Å; L207-I240 HydrophobicContact CD2-CD1 4.36Å; L207-I240 PolarHBondContact N-O 3.35Å; L207-I240 PolarHBondContact O-N 3.22Å; L207-T242 HydrophobicContact CB-CG2 4.44Å; L207-L245 HydrophobicContact CD1-CD1 3.84Å; L207-L245 HydrophobicContact CD2-CD1 4.44Å
208I94.7Very high92.9Very high5 Ų530.4 Ų30.43%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-121117.4177.2-47.8176.6000108.4F181 I194 T206 I237 E238 Y239F181-I208 HydrophobicContact CB-CB 4.16Å; F181-I208 HydrophobicContact CD2-CB 4.34Å; F181-I208 PolarHBondContact N-O 2.94Å; F181-I208 PolarHBondContact O-N 3.25Å; I194-I208 HydrophobicContact CG1-CD1 4.02Å; I194-I208 WeakPolarHBondContact O-CD1 3.45Å; T206-I208 HydrophobicContact CG2-CD1 4.39Å; T206-I208 HydrophobicContact CG2-CG1 4.08Å; I208-I237 HydrophobicContact CG2-CD1 4.4Å; I208-I237 HydrophobicContact CG2-CG2 3.82Å; I208-E238 WeakPolarHBondContact CA-O 3.03Å; I208-Y239 HydrophobicContact CD1-CD2 4.35Å; I208-Y239 HydrophobicContact CD1-CE2 3.99Å; I208-Y239 HydrophobicContact CG1-CD2 3.84Å; I208-Y239 HydrophobicContact CG1-CE2 3.87Å
209L96.2Very high93.2Very high0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-108.2121.6175.2-46.6-178.7000109.7I166 F173 V177 I180 L207 I237 E238I166-L209 HydrophobicContact CD1-CD1 3.91Å; I166-L209 HydrophobicContact CD1-CD2 3.42Å; I166-L209 VanDerWaalsContact CD1-CD2 3.42Å; I166-L209 HydrophobicContact CD1-CG 4.33Å; F173-L209 HydrophobicContact CB-CD1 4.09Å; F173-L209 HydrophobicContact CD1-CD1 3.61Å; F173-L209 HydrophobicContact CD2-CD1 3.89Å; F173-L209 HydrophobicContact CE1-CD1 3.98Å; F173-L209 HydrophobicContact CE2-CD1 4.23Å; F173-L209 HydrophobicContact CG-CD1 3.57Å; F173-L209 HydrophobicContact CZ-CD1 4.27Å; V177-L209 HydrophobicContact CG1-CB 4.06Å; I180-L209 HydrophobicContact CB-CD2 4.3Å; I180-L209 HydrophobicContact CG1-CD2 4.09Å; I180-L209 HydrophobicContact CG2-CD2 3.8Å; L207-L209 HydrophobicContact CD1-CD2 3.61Å; L207-L209 HydrophobicContact CD1-CG 4.49Å; L207-L209 HydrophobicContact CD2-CD2 4.28Å; L207-L209 HydrophobicContact CG-CD2 3.9Å; L207-L209 HydrophobicContact CG-CG 4.28Å; L209-I237 CarbonylContact O-C 3.59Å; L209-I237 WeakPolarHBondContact O-CA 3.31Å; L209-E238 HydrophobicContact CB-CB 3.74Å; L209-E238 HydrophobicContact CD1-CB 3.89Å; L209-E238 HydrophobicContact CD1-CG 4.2Å; L209-E238 HydrophobicContact CG-CB 3.91Å; L209-E238 PolarHBondContact N-O 3.03Å; L209-E238 PolarHBondContact O-N 3.46Å
210V96.1Very high93.7Very high11 Ų1138.7 Ų38.77%0.06719%0.192CC..EExtended strand (participates in β ladder)trans-93.1109176.1-174.90000109.1V177 S178 M179 F181 T212 L221 I237V177-V210 CarbonylContact C-O 3.49Å; V177-V210 WeakPolarHBondContact CA-O 3.22Å; S178-V210 PolarHBondContact N-O 3.47Å; S178-V210 WeakPolarHBondContact OG-CG1 3.47Å; S178-V210 PolarHBondContact OG-O 3.4Å; M179-V210 HydrophobicContact CB-CB 4.06Å; M179-V210 HydrophobicContact CB-CG2 3.94Å; M179-V210 PolarHBondContact O-N 2.74Å; M179-V210 HydrophobicContact SD-CG2 4.44Å; F181-V210 HydrophobicContact CE2-CG2 4.37Å; V210-T212 VanDerWaalsContact C-N 3.28Å; V210-T212 HydrophobicContact CG1-CG2 4.12Å; V210-T212 PolarHBondContact O-N 3.07Å; V210-L221 HydrophobicContact CG1-CD1 3.93Å; V210-I237 HydrophobicContact CB-CD1 4.36Å; V210-I237 HydrophobicContact CG1-CD1 4.4Å; V210-I237 HydrophobicContact CG2-CD1 3.87Å
211K96.5Very high94.1Very high66 Ų6639 Ų3929%0.28719%0.194SC..  trans-89.624-173.6-58.9178.1-70.4-161.50113.5F173 K235 R236 I237 E238F173-K211 HydrophobicContact CE2-CD 3.86Å; F173-K211 HydrophobicContact CZ-CD 4.02Å; F173-K211 HydrophobicContact CZ-CG 4.21Å; K211-K235 WeakPolarHBondContact CE-O 3.08Å; K211-K235 PolarHBondContact NZ-O 2.77Å; K211-R236 WeakPolarHBondContact CB-O 3.5Å; K211-R236 PolarHBondContact N-O 2.84Å; K211-I237 PolarHBondContact NZ-O 3.09Å; K211-E238 IonicContact NZ-OE2 2.83Å; K211-E238 PolarHBondContact NZ-OE2 3.26Å
212T95.3Very high94Very high10 Ų1041.7 Ų41.76%0.06121%0.207CC..  trans-145.3144.5179.5-175.90000112.4S178 V210 N214 E217 I218 L221 R236S178-T212 WeakPolarHBondContact CB-O 3.18Å; S178-T212 PolarHBondContact OG-O 3.1Å; V210-T212 VanDerWaalsContact C-N 3.28Å; V210-T212 HydrophobicContact CG1-CG2 4.12Å; V210-T212 PolarHBondContact O-N 3.07Å; T212-N214 PolarHBondContact OG1-N 3.01Å; T212-E217 VanDerWaalsContact CB-OE2 3.3Å; T212-E217 WeakPolarHBondContact CB-OE2 3.3Å; T212-E217 HydrophobicContact CG2-CB 3.89Å; T212-E217 PolarHBondContact OG1-OE2 3.2Å; T212-I218 HydrophobicContact CG2-CG1 4.35Å; T212-L221 HydrophobicContact CG2-CD1 4.02Å; T212-R236 HydrophobicContact CG2-CB 4.21Å; T212-R236 HydrophobicContact CG2-CG 4.45Å
213A94.2Very high93.9Very high30 Ų3049.1 Ų49.125%0.24823%0.233CC..  trans-110.84.6168.200000112.5I159 T161 L215I159-A213 HydrophobicContact CG2-CB 4.01Å; T161-A213 HydrophobicContact CG2-CB 3.96Å; A213-L215 PolarHBondContact O-N 3.37Å
214N94.7Very high93.8Very high82 Ų8250.5 Ų50.544%0.43924%0.239SC..  trans-73.8123.4179.8-178.5-66.4000110.3T212 I216 E217 I218T212-N214 PolarHBondContact OG1-N 3.01Å; N214-I216 VanDerWaalsContact C-N 3.34Å; N214-I216 PolarHBondContact O-N 2.95Å; N214-I216 WeakPolarHBondContact OD1-CB 3.32Å; N214-I216 PolarHBondContact OD1-N 2.94Å; N214-E217 HydrophobicContact CB-CB 4.04Å; N214-E217 HydrophobicContact CB-CG 3.75Å; N214-E217 WeakPolarHBondContact O-CB 3.43Å; N214-E217 PolarHBondContact O-N 3.24Å; N214-E217 PolarHBondContact OD1-N 3.39Å; N214-I218 WeakPolarHBondContact O-CG1 3.44Å; N214-I218 PolarHBondContact O-N 3.29Å
215L91.7Very high93.5Very high72 Ų7249.1 Ų49.138%0.37723%0.234SC..Hα-helixtrans-56.7-42.5-175.9-179.562.2000113.4L156 P157 A213 E217 I218 L219L156-L215 HydrophobicContact CB-CD1 3.61Å; L156-L215 HydrophobicContact CD1-CD1 4.14Å; P157-L215 HydrophobicContact CG-CD2 4.46Å; A213-L215 PolarHBondContact O-N 3.37Å; L215-E217 VanDerWaalsContact C-N 3.27Å; L215-E217 PolarHBondContact O-N 3.49Å; L215-I218 PolarHBondContact O-N 3.21Å; L215-L219 HydrophobicContact CD1-CD1 4.43Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.24Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.46Å; L215-L219 PolarHBondContact O-N 3.5Å
216I94.1Very high93Very high132 Ų13255.1 Ų55.168%0.67727%0.265SS*.Hα-helixtrans-65-38.7179.9-59.7173.5000109.9N214 R220N214-I216 VanDerWaalsContact C-N 3.34Å; N214-I216 PolarHBondContact O-N 2.95Å; N214-I216 WeakPolarHBondContact OD1-CB 3.32Å; N214-I216 PolarHBondContact OD1-N 2.94Å; I216-R220 WeakPolarHBondContact O-CB 3.38Å; I216-R220 PolarHBondContact O-N 3.13Å
217E95.4Very high92.7Very high61 Ų6158.9 Ų58.929%0.28529%0.286SS..Hα-helixtrans-68-42.4177.3-59.5-161.2122.500112.3T212 N214 L215 R220 L221 R236T212-E217 VanDerWaalsContact CB-OE2 3.3Å; T212-E217 WeakPolarHBondContact CB-OE2 3.3Å; T212-E217 HydrophobicContact CG2-CB 3.89Å; T212-E217 PolarHBondContact OG1-OE2 3.2Å; N214-E217 HydrophobicContact CB-CB 4.04Å; N214-E217 HydrophobicContact CB-CG 3.75Å; N214-E217 WeakPolarHBondContact O-CB 3.43Å; N214-E217 PolarHBondContact O-N 3.24Å; N214-E217 PolarHBondContact OD1-N 3.39Å; L215-E217 VanDerWaalsContact C-N 3.27Å; L215-E217 PolarHBondContact O-N 3.49Å; E217-R220 WeakPolarHBondContact O-CB 3.49Å; E217-R220 PolarHBondContact O-N 3.03Å; E217-L221 WeakPolarHBondContact O-CG 3.48Å; E217-L221 PolarHBondContact O-N 2.86Å; E217-R236 WeakPolarHBondContact OE1-CD 3.36Å; E217-R236 IonicContact OE1-CZ 2.65Å; E217-R236 IonicContact OE1-NH1 2.69Å; E217-R236 PolarHBondContact OE1-NH1 3.26Å
218I92.2Very high92.2Very high8 Ų861.2 Ų61.24%0.04131%0.309CS..Hα-helixtrans-61.8-46.1175.4-68168.7000110.8L156 I159 T212 N214 L215 R220 L221 I222L156-I218 HydrophobicContact CD1-CG2 4.35Å; L156-I218 HydrophobicContact CD2-CG2 4.1Å; I159-I218 HydrophobicContact CB-CD1 4.5Å; I159-I218 HydrophobicContact CD1-CD1 3.82Å; I159-I218 HydrophobicContact CG2-CD1 4.25Å; T212-I218 HydrophobicContact CG2-CG1 4.35Å; N214-I218 WeakPolarHBondContact O-CG1 3.44Å; N214-I218 PolarHBondContact O-N 3.29Å; L215-I218 PolarHBondContact O-N 3.21Å; I218-R220 PolarHBondContact O-N 3.45Å; I218-L221 WeakPolarHBondContact O-CB 3.19Å; I218-L221 PolarHBondContact O-N 2.72Å; I218-I222 HydrophobicContact CG2-CD1 4.07Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.2Å
219L90.8Very high91.9Very high87 Ų8761 Ų6146%0.45531%0.309SS..Hα-helixtrans-60.7-36175.9-69.7173.5000112L156 L215 R223L156-L219 HydrophobicContact CD1-CD2 4.34Å; L215-L219 HydrophobicContact CD1-CD1 4.43Å; L215-L219 HydrophobicContact CD1-CG 4.35Å; L215-L219 HydrophobicContact CG-CD1 4.24Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.46Å; L215-L219 PolarHBondContact O-N 3.5Å; L219-R223 PolarHBondContact O-N 3.4Å; L219-R223 VanDerWaalsContact O-N 3.1Å
220R94.2Very high91.7Very high152 Ų15266.4 Ų66.457%0.57433%0.332SS*.Hα-helixtrans-66.4-40.8172.9179.9171.4170.7177.42.1111.9I216 E217 I218 R223 L224I216-R220 WeakPolarHBondContact O-CB 3.38Å; I216-R220 PolarHBondContact O-N 3.13Å; E217-R220 WeakPolarHBondContact O-CB 3.49Å; E217-R220 PolarHBondContact O-N 3.03Å; I218-R220 PolarHBondContact O-N 3.45Å; R220-R223 PolarHBondContact O-N 2.95Å; R220-L224 WeakPolarHBondContact O-CG 3.43Å; R220-L224 PolarHBondContact O-N 3.06Å; R220-L224 VanDerWaalsContact O-N 3.1Å
221L93.1Very high91.6Very high12 Ų1266.1 Ų66.16%0.06333%0.33CS..Hα-helixtrans-63.2-44.3175.7-69.2171.4000111.4V210 T212 E217 I218 R223 L224 V225 H231 D234 R236 I237V210-L221 HydrophobicContact CG1-CD1 3.93Å; T212-L221 HydrophobicContact CG2-CD1 4.02Å; E217-L221 WeakPolarHBondContact O-CG 3.48Å; E217-L221 PolarHBondContact O-N 2.86Å; I218-L221 WeakPolarHBondContact O-CB 3.19Å; I218-L221 PolarHBondContact O-N 2.72Å; L221-R223 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 3.49Å; L221-L224 WeakPolarHBondContact O-CA 3.43Å; L221-L224 WeakPolarHBondContact O-CB 3.1Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.2Å; L221-H231 HydrophobicContact CD2-CB 4.38Å; L221-D234 HydrophobicContact CD2-CB 3.84Å; L221-R236 HydrophobicContact CD1-CB 4.47Å; L221-I237 HydrophobicContact CD1-CD1 3.91Å; L221-I237 HydrophobicContact CD2-CD1 4.05Å; L221-I237 HydrophobicContact CD2-CG1 3.79Å
222I88.1Confident91.4Very high59 Ų5966.1 Ų66.130%0.30333%0.333SS..Hα-helixtrans-57.3-44175.2-67.4167.6000110.8L156 I218 L224 V225 L226L156-I222 HydrophobicContact CD1-CD1 4.29Å; I218-I222 HydrophobicContact CG2-CD1 4.07Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.2Å; I222-L224 VanDerWaalsContact C-N 3.29Å; I222-L224 PolarHBondContact O-N 3.1Å; I222-V225 WeakPolarHBondContact O-CB 3.45Å; I222-V225 PolarHBondContact O-N 3.32Å; I222-L226 HydrophobicContact CG2-CD1 4.29Å; I222-L226 WeakPolarHBondContact O-CG 3.14Å; I222-L226 PolarHBondContact O-N 2.91Å
223R91.1Very high91.2Very high191 Ų19169.1 Ų69.172%0.72137%0.366SS*.Hα-helixtrans-59.9-38.9175.1-177.7179.2176.31720.7112.3L219 R220 L221 L226 D227L219-R223 PolarHBondContact O-N 3.4Å; L219-R223 VanDerWaalsContact O-N 3.1Å; R220-R223 PolarHBondContact O-N 2.95Å; L221-R223 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 3.49Å; R223-L226 PolarHBondContact O-N 2.96Å; R223-D227 WeakPolarHBondContact O-CB 3.26Å; R223-D227 PolarHBondContact O-N 3.46Å
224L92.8Very high91.3Very high35 Ų3568.7 Ų68.718%0.18336%0.359CS..Hα-helixtrans-70-34.7177.9-67.8171.8000112.5R220 L221 I222 L226 D227 G229 K230 H231 D234R220-L224 WeakPolarHBondContact O-CG 3.43Å; R220-L224 PolarHBondContact O-N 3.06Å; R220-L224 VanDerWaalsContact O-N 3.1Å; L221-L224 WeakPolarHBondContact O-CA 3.43Å; L221-L224 WeakPolarHBondContact O-CB 3.1Å; L221-L224 PolarHBondContact O-N 3.34Å; I222-L224 VanDerWaalsContact C-N 3.29Å; I222-L224 PolarHBondContact O-N 3.1Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L224-D227 PolarHBondContact O-N 2.77Å; L224-G229 PolarHBondContact O-N 3.35Å; L224-K230 HydrophobicContact CB-CB 4.3Å; L224-K230 HydrophobicContact CD2-CB 4.05Å; L224-K230 PolarHBondContact O-N 2.82Å; L224-H231 HydrophobicContact CB-CB 3.91Å; L224-D234 HydrophobicContact CD1-CB 4.25Å
225V87.7Confident91.4Very high17 Ų1773.3 Ų73.310%0.10338%0.376CS..Hα-helixtrans-59.4-47.5170.6175.30000110.1F191 Q193 L221 I222 D227 G229 H231F191-V225 HydrophobicContact CD1-CG1 4.17Å; Q193-V225 HydrophobicContact CB-CG1 4.47Å; Q193-V225 WeakPolarHBondContact CB-O 3.42Å; L221-V225 WeakPolarHBondContact O-CG2 3.43Å; L221-V225 PolarHBondContact O-N 3.2Å; I222-V225 WeakPolarHBondContact O-CB 3.45Å; I222-V225 PolarHBondContact O-N 3.32Å; V225-D227 VanDerWaalsContact C-N 3.28Å; V225-D227 PolarHBondContact O-N 2.85Å; V225-G229 PolarHBondContact O-N 3.05Å; V225-H231 HydrophobicContact CG2-CB 4.03Å; V225-H231 VanDerWaalsContact CG2-CG 3.46Å; V225-H231 WeakPolarHBondContact CG2-ND1 3.23Å
226L85.4Confident91.6Very high126 Ų12671 Ų7166%0.6636%0.362SS*.Hα-helixtrans-68.9-24.3179.6-65.5175.5000113.5F191 I222 R223 L224 G228F191-L226 HydrophobicContact CD1-CD2 4.24Å; F191-L226 HydrophobicContact CE1-CD2 4.04Å; I222-L226 HydrophobicContact CG2-CD1 4.29Å; I222-L226 WeakPolarHBondContact O-CG 3.14Å; I222-L226 PolarHBondContact O-N 2.91Å; R223-L226 PolarHBondContact O-N 2.96Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L226-G228 PolarHBondContact O-N 3.16Å
227D88.1Confident91.8Very high81 Ų8165.3 Ų65.343%0.43333%0.333SS..THydrogen-bonded Turntrans-9045.3176.5-172.423.7000111.4R223 L224 V225 K230R223-D227 WeakPolarHBondContact O-CB 3.26Å; R223-D227 PolarHBondContact O-N 3.46Å; L224-D227 PolarHBondContact O-N 2.77Å; V225-D227 VanDerWaalsContact C-N 3.28Å; V225-D227 PolarHBondContact O-N 2.85Å; D227-K230 HydrophobicContact CB-CD 4.48Å; D227-K230 VanDerWaalsContact O-CD 3.29Å; D227-K230 WeakPolarHBondContact O-CD 3.33Å; D227-K230 WeakPolarHBondContact O-CE 3.31Å; D227-K230 VanDerWaalsContact O-CG 3.31Å; D227-K230 WeakPolarHBondContact O-CG 3.32Å; D227-K230 IonicContact OD1-NZ 3.92Å; D227-K230 PolarHBondContact OD1-NZ 2.78Å; D227-K230 WeakPolarHBondContact OD2-CD 3.49Å; D227-K230 IonicContact OD2-NZ 3.98Å; D227-K230 PolarHBondContact OD2-NZ 2.94Å
228G84.7Confident91.8Very high48 Ų4865.6 Ų65.650%0.49533%0.334SS..THydrogen-bonded Turntrans75.437.2175.700000114.8L226 K230L226-G228 PolarHBondContact O-N 3.16Å; G228-K230 VanDerWaalsContact C-N 3.35Å; G228-K230 PolarHBondContact O-N 2.79Å
229G87.9Confident91.9Very high2 Ų267.3 Ų67.32%0.02134%0.34CS..SBendtrans71.123.7173.300000115.1Q193 L224 V225 H231 I232Q193-G229 WeakPolarHBondContact O-CA 3.32Å; L224-G229 PolarHBondContact O-N 3.35Å; V225-G229 PolarHBondContact O-N 3.05Å; G229-H231 WeakPolarHBondContact CA-ND1 3.31Å; G229-H231 PolarHBondContact O-CE1 3.27Å; G229-H231 PolarHBondContact O-N 2.92Å; G229-H231 VanDerWaalsContact O-N 3.13Å; G229-H231 PolarHBondContact O-ND1 2.76Å; G229-I232 WeakPolarHBondContact O-CG2 3.49Å; G229-I232 PolarHBondContact O-N 2.96Å
230K92.3Very high92.1Very high113 Ų11363.8 Ų63.849%0.49132%0.322SS..G310 helixtrans-68.9-7.4-177.6-71.2174.2-167.4163.80114.4L224 D227 G228 I232 G233L224-K230 HydrophobicContact CB-CB 4.3Å; L224-K230 HydrophobicContact CD2-CB 4.05Å; L224-K230 PolarHBondContact O-N 2.82Å; D227-K230 HydrophobicContact CB-CD 4.48Å; D227-K230 VanDerWaalsContact O-CD 3.29Å; D227-K230 WeakPolarHBondContact O-CD 3.33Å; D227-K230 WeakPolarHBondContact O-CE 3.31Å; D227-K230 VanDerWaalsContact O-CG 3.31Å; D227-K230 WeakPolarHBondContact O-CG 3.32Å; D227-K230 IonicContact OD1-NZ 3.92Å; D227-K230 PolarHBondContact OD1-NZ 2.78Å; D227-K230 WeakPolarHBondContact OD2-CD 3.49Å; D227-K230 IonicContact OD2-NZ 3.98Å; D227-K230 PolarHBondContact OD2-NZ 2.94Å; G228-K230 VanDerWaalsContact C-N 3.35Å; G228-K230 PolarHBondContact O-N 2.79Å; K230-I232 PolarHBondContact O-N 2.77Å; K230-G233 PolarHBondContact O-N 3.33Å
231H92.7Very high92.2Very high5 Ų558.1 Ų58.12%0.02330%0.301CS..G310 helixtrans-63-25.1177.859.8-63.4000112Q193 I194 L221 L224 V225 G229 G233 D234 I237Q193-H231 PolarHBondContact O-CE1 2.84Å; I194-H231 PolarHBondContact O-CE1 2.82Å; I194-H231 VanDerWaalsContact O-CE1 3.29Å; I194-H231 PolarHBondContact O-NE2 3.28Å; L221-H231 HydrophobicContact CD2-CB 4.38Å; L224-H231 HydrophobicContact CB-CB 3.91Å; V225-H231 HydrophobicContact CG2-CB 4.03Å; V225-H231 VanDerWaalsContact CG2-CG 3.46Å; V225-H231 WeakPolarHBondContact CG2-ND1 3.23Å; G229-H231 WeakPolarHBondContact CA-ND1 3.31Å; G229-H231 PolarHBondContact O-CE1 3.27Å; G229-H231 PolarHBondContact O-N 2.92Å; G229-H231 VanDerWaalsContact O-N 3.13Å; G229-H231 PolarHBondContact O-ND1 2.76Å; H231-G233 PolarHBondContact O-N 2.97Å; H231-G233 VanDerWaalsContact O-N 3.14Å; H231-D234 WeakPolarHBondContact O-CB 3.24Å; H231-D234 PolarHBondContact O-N 2.75Å; H231-I237 VanDerWaalsContact O-CG1 3.31Å; H231-I237 WeakPolarHBondContact O-CG1 3.23Å
232I92.6Very high92.4Very high66 Ų6657.5 Ų57.534%0.33830%0.298SS..G310 helixtrans-59.9-24.7-179.469.9177.5000113.5P196 G229 K230 Y239P196-I232 HydrophobicContact CG-CD1 4.19Å; P196-I232 HydrophobicContact CG-CG2 4.11Å; G229-I232 WeakPolarHBondContact O-CG2 3.49Å; G229-I232 PolarHBondContact O-N 2.96Å; K230-I232 PolarHBondContact O-N 2.77Å; I232-Y239 HydrophobicContact CB-CD1 4.42Å; I232-Y239 HydrophobicContact CB-CD2 3.96Å; I232-Y239 HydrophobicContact CB-CE2 4.23Å; I232-Y239 HydrophobicContact CB-CG 4.04Å; I232-Y239 HydrophobicContact CG2-CD1 4.48Å; I232-Y239 HydrophobicContact CG2-CD2 3.52Å; I232-Y239 HydrophobicContact CG2-CE1 4.36Å; I232-Y239 HydrophobicContact CG2-CE2 3.36Å; I232-Y239 HydrophobicContact CG2-CG 4.08Å
233G92.4Very high92.7Very high73 Ų7357.5 Ų57.575%0.75330%0.298SS*.G310 helixtrans-95.5-0.717700000114.5K230 H231K230-G233 PolarHBondContact O-N 3.33Å; H231-G233 PolarHBondContact O-N 2.97Å; H231-G233 VanDerWaalsContact O-N 3.14Å
234D96.4Very high93Very high21 Ų2150.6 Ų50.611%0.11227%0.274CS..SBendtrans-77.7133.4-179.3-166.2-67.5000110.5L221 L224 H231 R236 I237L221-D234 HydrophobicContact CD2-CB 3.84Å; L224-D234 HydrophobicContact CD1-CB 4.25Å; H231-D234 WeakPolarHBondContact O-CB 3.24Å; H231-D234 PolarHBondContact O-N 2.75Å; D234-R236 PolarHBondContact O-N 2.95Å; D234-R236 WeakPolarHBondContact OD1-CB 3.43Å; D234-R236 IonicContact OD1-CZ 3.55Å; D234-R236 PolarHBondContact OD1-N 2.9Å; D234-R236 IonicContact OD1-NE 3.02Å; D234-R236 PolarHBondContact OD1-NE 3.18Å; D234-R236 IonicContact OD1-NH2 3.51Å; D234-R236 PolarHBondContact OD1-NH2 3.03Å; D234-R236 IonicContact OD2-CZ 3.05Å; D234-R236 IonicContact OD2-NE 2.77Å; D234-R236 IonicContact OD2-NH2 2.77Å; D234-R236 PolarHBondContact OD2-NH2 2.85Å; D234-I237 HydrophobicContact CB-CG1 4.44Å; D234-I237 PolarHBondContact O-N 2.93Å
235K96.2Very high93.2Very high179 Ų17948.9 Ų48.978%0.77827%0.265SS*.THydrogen-bonded Turntrans-56.1-19.7-179.768.7179-177.1173.90114.7K211 I237K211-K235 WeakPolarHBondContact CE-O 3.08Å; K211-K235 PolarHBondContact NZ-O 2.77Å; K235-I237 VanDerWaalsContact C-N 3.29Å
236R96.4Very high93.7Very high24 Ų2450 Ų509%0.09127%0.269CS..THydrogen-bonded Turntrans-84.7-5.1177.7-66163.4-67-177.213.2112.6K211 T212 E217 L221 D234K211-R236 WeakPolarHBondContact CB-O 3.5Å; K211-R236 PolarHBondContact N-O 2.84Å; T212-R236 HydrophobicContact CG2-CB 4.21Å; T212-R236 HydrophobicContact CG2-CG 4.45Å; E217-R236 WeakPolarHBondContact OE1-CD 3.36Å; E217-R236 IonicContact OE1-CZ 2.65Å; E217-R236 IonicContact OE1-NH1 2.69Å; E217-R236 PolarHBondContact OE1-NH1 3.26Å; L221-R236 HydrophobicContact CD1-CB 4.47Å; D234-R236 PolarHBondContact O-N 2.95Å; D234-R236 WeakPolarHBondContact OD1-CB 3.43Å; D234-R236 IonicContact OD1-CZ 3.55Å; D234-R236 PolarHBondContact OD1-N 2.9Å; D234-R236 IonicContact OD1-NE 3.02Å; D234-R236 PolarHBondContact OD1-NE 3.18Å; D234-R236 IonicContact OD1-NH2 3.51Å; D234-R236 PolarHBondContact OD1-NH2 3.03Å; D234-R236 IonicContact OD2-CZ 3.05Å; D234-R236 IonicContact OD2-NE 2.77Å; D234-R236 IonicContact OD2-NH2 2.77Å; D234-R236 PolarHBondContact OD2-NH2 2.85Å
237I96.8Very high94.2Very high12 Ų1244.3 Ų44.36%0.06224%0.239CC..EExtended strand (participates in β ladder)trans-106.2139.1173.2-60.4-56.9000108.7I208 L209 V210 K211 L221 H231 D234 K235I208-I237 HydrophobicContact CG2-CD1 4.4Å; I208-I237 HydrophobicContact CG2-CG2 3.82Å; L209-I237 CarbonylContact O-C 3.59Å; L209-I237 WeakPolarHBondContact O-CA 3.31Å; V210-I237 HydrophobicContact CB-CD1 4.36Å; V210-I237 HydrophobicContact CG1-CD1 4.4Å; V210-I237 HydrophobicContact CG2-CD1 3.87Å; K211-I237 PolarHBondContact NZ-O 3.09Å; L221-I237 HydrophobicContact CD1-CD1 3.91Å; L221-I237 HydrophobicContact CD2-CD1 4.05Å; L221-I237 HydrophobicContact CD2-CG1 3.79Å; H231-I237 VanDerWaalsContact O-CG1 3.31Å; H231-I237 WeakPolarHBondContact O-CG1 3.23Å; D234-I237 HydrophobicContact CB-CG1 4.44Å; D234-I237 PolarHBondContact O-N 2.93Å; K235-I237 VanDerWaalsContact C-N 3.29Å
238E96.1Very high94.7Very high66 Ų6643.6 Ų43.631%0.30823%0.233SC..EExtended strand (participates in β ladder)trans-103.3127.4155.7-159.367.1-156.600107.3F173 I208 L209 K211 I240F173-E238 HydrophobicContact CD2-CG 4.3Å; I208-E238 WeakPolarHBondContact CA-O 3.03Å; L209-E238 HydrophobicContact CB-CB 3.74Å; L209-E238 HydrophobicContact CD1-CB 3.89Å; L209-E238 HydrophobicContact CD1-CG 4.2Å; L209-E238 HydrophobicContact CG-CB 3.91Å; L209-E238 PolarHBondContact N-O 3.03Å; L209-E238 PolarHBondContact O-N 3.46Å; K211-E238 IonicContact NZ-OE2 2.83Å; K211-E238 PolarHBondContact NZ-OE2 3.26Å; E238-I240 HydrophobicContact CG-CD1 3.53Å; E238-I240 HydrophobicContact CG-CG1 4.02Å
239Y95.2Very high95.2Very high45 Ų4542.4 Ų42.418%0.17622%0.217CC..EExtended strand (participates in β ladder)trans-125.4109.2-176.6-165.9-92.5000110A195 D197 T206 L207 I208 I232A195-Y239 WeakPolarHBondContact CA-OH 3.26Å; D197-Y239 WeakPolarHBondContact OD1-CE1 3.44Å; D197-Y239 PolarHBondContact OD1-OH 2.7Å; T206-Y239 HydrophobicContact CG2-CD2 4.2Å; T206-Y239 HydrophobicContact CG2-CE1 3.9Å; T206-Y239 HydrophobicContact CG2-CE2 3.36Å; T206-Y239 WeakPolarHBondContact CG2-OH 3.11Å; L207-Y239 WeakPolarHBondContact O-CA 3.18Å; I208-Y239 HydrophobicContact CD1-CD2 4.35Å; I208-Y239 HydrophobicContact CD1-CE2 3.99Å; I208-Y239 HydrophobicContact CG1-CD2 3.84Å; I208-Y239 HydrophobicContact CG1-CE2 3.87Å; I232-Y239 HydrophobicContact CB-CD1 4.42Å; I232-Y239 HydrophobicContact CB-CD2 3.96Å; I232-Y239 HydrophobicContact CB-CE2 4.23Å; I232-Y239 HydrophobicContact CB-CG 4.04Å; I232-Y239 HydrophobicContact CG2-CD1 4.48Å; I232-Y239 HydrophobicContact CG2-CD2 3.52Å; I232-Y239 HydrophobicContact CG2-CE1 4.36Å; I232-Y239 HydrophobicContact CG2-CE2 3.36Å; I232-Y239 HydrophobicContact CG2-CG 4.08Å
240I94.8Very high95.6Very high13 Ų1345.5 Ų45.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-133.5127.1-168.9-61.3161.4000110K170 L207 E238K170-I240 HydrophobicContact CD-CG2 4.3Å; L207-I240 WeakPolarHBondContact CA-O 3.35Å; L207-I240 HydrophobicContact CB-CB 4.23Å; L207-I240 VanDerWaalsContact CB-O 3.31Å; L207-I240 WeakPolarHBondContact CB-O 3.37Å; L207-I240 HydrophobicContact CD2-CB 4.48Å; L207-I240 HydrophobicContact CD2-CD1 4.36Å; L207-I240 PolarHBondContact N-O 3.35Å; L207-I240 PolarHBondContact O-N 3.22Å; E238-I240 HydrophobicContact CG-CD1 3.53Å; E238-I240 HydrophobicContact CG-CG1 4.02Å
241K95.1Very high95.6Very high32 Ų3241.8 Ų41.814%0.13922%0.221CC..EExtended strand (participates in β ladder)trans-83.4127.8163.2-62.2-72.9-175.7168.20110.1K170 D197 K204 F205 T206K170-K241 WeakPolarHBondContact CE-O 3.2Å; D197-K241 PolarHBondContact O-NZ 3.5Å; D197-K241 WeakPolarHBondContact OD1-CE 3.39Å; D197-K241 IonicContact OD1-NZ 3.38Å; D197-K241 PolarHBondContact OD1-NZ 3.44Å; K204-K241 HydrophobicContact CB-CB 4.27Å; K204-K241 HydrophobicContact CB-CD 4.4Å; K204-K241 HydrophobicContact CG-CB 4.47Å; F205-K241 WeakPolarHBondContact O-CA 3.35Å; T206-K241 PolarHBondContact OG1-NZ 3.46Å
242T96.8Very high95.4Very high0 Ų050 Ų500%027%0.265CS..EExtended strand (participates in β ladder)trans-154.5146.5179.4-169.60000111H168 E169 F205 L207 F244 L245H168-T242 HydrophobicContact CB-CG2 4.07Å; E169-T242 PolarHBondContact N-OG1 3.17Å; E169-T242 VanDerWaalsContact N-OG1 3.16Å; F205-T242 WeakPolarHBondContact CB-O 3.46Å; F205-T242 PolarHBondContact N-O 3.47Å; F205-T242 PolarHBondContact O-N 2.94Å; F205-T242 VanDerWaalsContact O-N 3.08Å; L207-T242 HydrophobicContact CB-CG2 4.44Å; T242-F244 VanDerWaalsContact CG2-O 3.3Å; T242-F244 WeakPolarHBondContact CG2-O 3.46Å; T242-F244 PolarHBondContact OG1-N 3.02Å; T242-F244 PolarHBondContact OG1-O 3.27Å; T242-L245 HydrophobicContact CG2-CB 4.5Å; T242-L245 HydrophobicContact CG2-CD2 4.27Å
243D96.4Very high95Very high58 Ų5854.3 Ų54.331%0.3128%0.281SS..SBendtrans-88.3-13172.750.733000112.9G203 K204 R272 N273G203-D243 VanDerWaalsContact O-CB 3.28Å; G203-D243 WeakPolarHBondContact O-CB 3.41Å; K204-D243 HydrophobicContact CD-CB 4.12Å; K204-D243 IonicContact NZ-OD2 3.5Å; K204-D243 PolarHBondContact NZ-OD2 3.26Å; D243-R272 CarbonylContact O-C 3.59Å; D243-R272 WeakPolarHBondContact O-CA 3.28Å; D243-N273 PolarHBondContact O-N 2.93Å
244F97.3Very high94.9Very high46 Ų4656 Ų5620%0.20227%0.268CS..EExtended strand (participates in β ladder)trans-139141.9-177.3172.4-99.8000110.5H168 T242 E246 K270 L271 R272H168-F244 WeakPolarHBondContact CA-O 3.24Å; T242-F244 VanDerWaalsContact CG2-O 3.3Å; T242-F244 WeakPolarHBondContact CG2-O 3.46Å; T242-F244 PolarHBondContact OG1-N 3.02Å; T242-F244 PolarHBondContact OG1-O 3.27Å; F244-E246 HydrophobicContact CE1-CB 4.19Å; F244-E246 HydrophobicContact CZ-CB 3.99Å; F244-K270 HydrophobicContact CE2-CB 4.24Å; F244-K270 HydrophobicContact CE2-CD 4.49Å; F244-K270 HydrophobicContact CE2-CG 4.36Å; F244-K270 HydrophobicContact CZ-CG 4.39Å; F244-L271 WeakPolarHBondContact CA-O 3.49Å; F244-L271 WeakPolarHBondContact CD2-O 3.43Å; F244-R272 HydrophobicContact CD2-CG 3.9Å
245L96.3Very high94.7Very high0 Ų055.3 Ų55.30%026%0.264CS..EExtended strand (participates in β ladder)trans-146.3143.4163.561.4156.9000113.1I166 K167 A182 F205 L207 T242 I247 K270 L271I166-L245 HydrophobicContact CG2-CB 4.36Å; K167-L245 CarbonylContact O-C 3.51Å; K167-L245 WeakPolarHBondContact O-CA 3.43Å; A182-L245 HydrophobicContact CB-CD1 4.15Å; A182-L245 HydrophobicContact CB-CD2 4.13Å; F205-L245 HydrophobicContact CD2-CD2 3.39Å; F205-L245 HydrophobicContact CE2-CD2 3.78Å; F205-L245 HydrophobicContact CG-CD2 4.24Å; L207-L245 HydrophobicContact CD1-CD1 3.84Å; L207-L245 HydrophobicContact CD2-CD1 4.44Å; T242-L245 HydrophobicContact CG2-CB 4.5Å; T242-L245 HydrophobicContact CG2-CD2 4.27Å; L245-I247 HydrophobicContact CD1-CD1 3.85Å; L245-I247 HydrophobicContact CD1-CG1 3.87Å; L245-K270 CarbonylContact O-C 3.46Å; L245-K270 WeakPolarHBondContact O-CA 3.42Å; L245-L271 HydrophobicContact CD1-CD1 4.05Å; L245-L271 HydrophobicContact CD2-CB 3.73Å; L245-L271 HydrophobicContact CD2-CD1 4.08Å; L245-L271 HydrophobicContact CD2-CG 4.41Å; L245-L271 HydrophobicContact CG-CB 3.94Å; L245-L271 HydrophobicContact CG-CD1 4.03Å; L245-L271 HydrophobicContact CG-CG 4.25Å; L245-L271 PolarHBondContact N-O 3.06Å; L245-L271 PolarHBondContact O-N 3.43Å
246E97.7Very high94.5Very high41 Ų4149.3 Ų49.319%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-116.1114.8170.1-179.5173.9-137.500108.2I166 K167 F244 I269 K270I166-E246 CarbonylContact C-O 3.55Å; I166-E246 VanDerWaalsContact CA-O 3.28Å; I166-E246 WeakPolarHBondContact CA-O 3.4Å; K167-E246 HydrophobicContact CB-CB 4.29Å; K167-E246 WeakPolarHBondContact CD-OE2 3.46Å; K167-E246 PolarHBondContact N-O 2.88Å; K167-E246 IonicContact NZ-OE2 3.87Å; K167-E246 PolarHBondContact NZ-OE2 2.61Å; K167-E246 PolarHBondContact O-N 3.29Å; F244-E246 HydrophobicContact CE1-CB 4.19Å; F244-E246 HydrophobicContact CZ-CB 3.99Å; E246-I269 CarbonylContact C-O 3.56Å; E246-I269 WeakPolarHBondContact CA-O 3.5Å; E246-K270 HydrophobicContact CB-CG 4.27Å; E246-K270 HydrophobicContact CG-CG 4.08Å; E246-K270 WeakPolarHBondContact OE1-CE 3.33Å; E246-K270 IonicContact OE1-NZ 3.88Å
247I97.1Very high94.4Very high5 Ų548.2 Ų48.23%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-100121.9-179.8-56.2169.4000108.1I166 I180 L245 M255 A267 P268 I269 L271I166-I247 HydrophobicContact CG1-CG1 4.48Å; I166-I247 HydrophobicContact CG1-CG2 4.42Å; I166-I247 HydrophobicContact CG2-CG1 4.44Å; I180-I247 HydrophobicContact CD1-CG2 3.9Å; I180-I247 HydrophobicContact CG2-CD1 4.03Å; L245-I247 HydrophobicContact CD1-CD1 3.85Å; L245-I247 HydrophobicContact CD1-CG1 3.87Å; I247-M255 HydrophobicContact CG2-SD 4.05Å; I247-A267 HydrophobicContact CG2-CB 4.44Å; I247-P268 CarbonylContact O-C 3.57Å; I247-P268 WeakPolarHBondContact O-CA 3.35Å; I247-I269 HydrophobicContact CB-CG2 4.08Å; I247-I269 HydrophobicContact CD1-CG2 4.17Å; I247-I269 HydrophobicContact CG1-CG2 4.45Å; I247-I269 PolarHBondContact N-O 3.2Å; I247-I269 PolarHBondContact O-N 3.46Å; I247-L271 HydrophobicContact CD1-CD1 4.35Å
248E97.1Very high94.1Very high66 Ų6648.5 Ų48.531%0.30824%0.237SC..EExtended strand (participates in β ladder)trans-125.7115.9178.5-177.8-175-168.500109.6V164 R165V164-E248 CarbonylContact C-O 3.53Å; V164-E248 WeakPolarHBondContact CA-O 3.46Å; R165-E248 HydrophobicContact CB-CB 4.35Å; R165-E248 IonicContact CZ-OE2 2.93Å; R165-E248 PolarHBondContact N-O 3.08Å; R165-E248 IonicContact NH1-OE1 2.82Å; R165-E248 IonicContact NH1-OE2 2.97Å; R165-E248 PolarHBondContact NH1-OE2 3.44Å; R165-E248 PolarHBondContact O-N 3.41Å
249P96.1Very high93.8Very high24 Ų2445.7 Ų45.716%0.15622%0.224CC..EExtended strand (participates in β ladder)trans-70.6133171.228.7-31.4000109.5S251 M255 A267P249-S251 VanDerWaalsContact C-N 3.27Å; P249-M255 HydrophobicContact CB-CB 4.24Å; P249-M255 HydrophobicContact CB-CE 4.05Å; P249-M255 HydrophobicContact CG-CB 4.35Å; P249-A267 HydrophobicContact CG-CB 4.09Å
250L96.6Very high93.4Very high66 Ų6645.1 Ų45.135%0.34622%0.224SC..SBendtrans-94.216.9177.1-59.4179.4000112.5P163 R165 E174P163-L250 HydrophobicContact CB-CB 4.08Å; P163-L250 HydrophobicContact CG-CB 4.27Å; P163-L250 PolarHBondContact O-N 2.9Å; R165-L250 HydrophobicContact CB-CD1 4.21Å; R165-L250 HydrophobicContact CB-CD2 3.97Å; R165-L250 HydrophobicContact CB-CG 4.2Å; E174-L250 HydrophobicContact CG-CD1 3.73Å
251S91.4Very high92.6Very high36 Ų3645.7 Ų45.725%0.25223%0.233SC..SBendtrans-126.5156.517677.80000109.9P249 K253P249-S251 VanDerWaalsContact C-N 3.27Å; S251-K253 PolarHBondContact O-N 3.37Å; S251-K253 VanDerWaalsContact O-N 3.09Å; S251-K253 PolarHBondContact OG-N 3.05Å
252D87.9Confident92Very high178 Ų17850.5 Ų50.595%0.95226%0.256SS*.SBendtrans-70.5-2.3176.8-57.3-40.1000113.8
253K85.7Confident91.5Very high156 Ų15655.4 Ų55.468%0.67828%0.276SS*.SBendtrans-76.3129.4177.5-67.3-175.4179.5178.90110S251 M255S251-K253 PolarHBondContact O-N 3.37Å; S251-K253 VanDerWaalsContact O-N 3.09Å; S251-K253 PolarHBondContact OG-N 3.05Å; K253-M255 PolarHBondContact O-N 3.44Å
254K89.2Confident91.1Very high108 Ų10853.3 Ų53.347%0.4727%0.268SS..  trans-52.7124.1169.2-179.3175.6173.1142.70109.5M256 Y263 D266K254-M256 HydrophobicContact CD-CE 4.13Å; K254-M256 HydrophobicContact CG-CG 4.47Å; K254-Y263 PolarHBondContact NZ-OH 2.79Å; K254-D266 WeakPolarHBondContact CE-OD1 3.32Å; K254-D266 WeakPolarHBondContact CE-OD2 3.44Å; K254-D266 IonicContact NZ-OD1 3.91Å; K254-D266 PolarHBondContact NZ-OD1 2.95Å; K254-D266 IonicContact NZ-OD2 2.77Å; K254-D266 PolarHBondContact NZ-OD2 3.29Å
255M93Very high90.8Very high6 Ų651.9 Ų51.93%0.0327%0.266CS..  trans-109.1109.2173.7175.8-179-68.800109.1A125 V162 V164 I180 I247 P249 K253 D266 A267A125-M255 HydrophobicContact CB-CG 4.2Å; A125-M255 HydrophobicContact CB-SD 4.1Å; V162-M255 HydrophobicContact CB-CE 4.36Å; V162-M255 HydrophobicContact CG2-CE 3.46Å; V162-M255 VanDerWaalsContact CG2-CE 3.46Å; V164-M255 HydrophobicContact CG1-CE 3.41Å; V164-M255 VanDerWaalsContact CG1-CE 3.41Å; V164-M255 HydrophobicContact CG1-SD 4.45Å; I180-M255 HydrophobicContact CD1-SD 4.28Å; I247-M255 HydrophobicContact CG2-SD 4.05Å; P249-M255 HydrophobicContact CB-CB 4.24Å; P249-M255 HydrophobicContact CB-CE 4.05Å; P249-M255 HydrophobicContact CG-CB 4.35Å; K253-M255 PolarHBondContact O-N 3.44Å; M255-D266 WeakPolarHBondContact O-CA 3.3Å; M255-A267 HydrophobicContact CB-CB 4.12Å; M255-A267 HydrophobicContact CG-CB 4.23Å; M255-A267 PolarHBondContact O-N 3.34Å; M255-A267 HydrophobicContact SD-CB 4.09Å
256M92.4Very high90.7Very high53 Ų5353.8 Ų53.826%0.26128%0.276SS..EExtended strand (participates in β ladder)trans-79.9136.6-179.5-64.6-176.3172.500111.6T129 E130 Y133 K254 Y263T129-M256 PolarHBondContact OG1-O 3.17Å; E130-M256 HydrophobicContact CG-CB 4.08Å; E130-M256 HydrophobicContact CG-CG 4.16Å; E130-M256 HydrophobicContact CG-SD 4.32Å; Y133-M256 HydrophobicContact CD2-CB 4.33Å; Y133-M256 HydrophobicContact CD2-SD 3.73Å; Y133-M256 HydrophobicContact CE2-CB 3.89Å; Y133-M256 HydrophobicContact CE2-SD 4.15Å; K254-M256 HydrophobicContact CD-CE 4.13Å; K254-M256 HydrophobicContact CG-CG 4.47Å; M256-Y263 HydrophobicContact CB-CD2 4.32Å; M256-Y263 HydrophobicContact CB-CE2 3.9Å; M256-Y263 HydrophobicContact CG-CE2 3.82Å; M256-Y263 HydrophobicContact SD-CE2 4.21Å
257I92.6Very high90.5Very high2 Ų252.4 Ų52.41%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-97.1134.8174.1-51.7-59.1000109.4A125 Y133 L259 G264 G265 A267 I269A125-I257 HydrophobicContact CB-CD1 3.59Å; Y133-I257 PolarHBondContact OH-O 3.1Å; I257-L259 HydrophobicContact CG2-CD2 3.81Å; I257-L259 HydrophobicContact CG2-CG 4.14Å; I257-G264 PolarHBondContact O-N 2.7Å; I257-G265 WeakPolarHBondContact CB-O 3.47Å; I257-G265 PolarHBondContact N-O 3.34Å; I257-A267 HydrophobicContact CD1-CB 4.15Å; I257-I269 HydrophobicContact CB-CD1 4.35Å; I257-I269 HydrophobicContact CD1-CG2 3.79Å; I257-I269 HydrophobicContact CG1-CB 4.37Å; I257-I269 HydrophobicContact CG1-CD1 3.98Å; I257-I269 HydrophobicContact CG1-CG2 3.91Å; I257-I269 HydrophobicContact CG2-CD1 4.17Å
258N90.9Very high90.4Very high17 Ų1756.6 Ų56.69%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-106.5126.7170.1-173.1-89.2000109.4A123 A124 T129 Y133 G261 E262A123-N258 CarbonylContact C-O 3.6Å; A123-N258 VanDerWaalsContact CA-O 3.26Å; A123-N258 WeakPolarHBondContact CA-O 3.44Å; A124-N258 HydrophobicContact CB-CB 4.29Å; A124-N258 PolarHBondContact N-O 2.99Å; A124-N258 PolarHBondContact O-N 3.35Å; T129-N258 HydrophobicContact CG2-CB 4.23Å; Y133-N258 WeakPolarHBondContact OH-CA 3.4Å; Y133-N258 VanDerWaalsContact OH-CB 3.24Å; Y133-N258 WeakPolarHBondContact OH-CB 3.41Å; Y133-N258 PolarHBondContact OH-ND2 3.14Å; N258-G261 PolarHBondContact ND2-O 3.27Å; N258-G261 WeakPolarHBondContact OD1-CA 3.38Å; N258-G261 PolarHBondContact OD1-N 3.35Å; N258-E262 CarbonylContact C-O 3.6Å; N258-E262 VanDerWaalsContact CA-O 3.31Å; N258-E262 WeakPolarHBondContact CA-O 3.2Å; N258-E262 PolarHBondContact ND2-O 2.92Å
259L90.4Very high90.4Very high8 Ų853.6 Ų53.64%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-119114.3175.9-60.2179.1000107.4A113 T117 F119 A123 I257 G261 E262A113-L259 HydrophobicContact CB-CD1 3.6Å; A113-L259 HydrophobicContact CB-CD2 4.29Å; T117-L259 HydrophobicContact CG2-CD1 3.71Å; F119-L259 HydrophobicContact CB-CB 4.2Å; F119-L259 HydrophobicContact CD1-CD2 3.83Å; F119-L259 HydrophobicContact CE1-CD2 4.14Å; F119-L259 HydrophobicContact CG-CD2 4.18Å; A123-L259 HydrophobicContact CB-CD2 3.43Å; A123-L259 VanDerWaalsContact CB-CD2 3.43Å; I257-L259 HydrophobicContact CG2-CD2 3.81Å; I257-L259 HydrophobicContact CG2-CG 4.14Å; L259-G261 PolarHBondContact O-N 2.87Å; L259-E262 PolarHBondContact N-O 3.41Å; L259-E262 PolarHBondContact O-N 3.28Å
260D86.3Confident90.5Very high32 Ų3257.5 Ų57.517%0.17130%0.3CS..THydrogen-bonded Turntrans49.832-178.2-65.1-20.3000115.4N56 F119 I120 N121 I122N56-D260 PolarHBondContact ND2-OD2 3.08Å; F119-D260 WeakPolarHBondContact CA-OD2 3.43Å; F119-D260 WeakPolarHBondContact CB-OD2 3.46Å; I120-D260 WeakPolarHBondContact CG1-OD2 3.17Å; I120-D260 PolarHBondContact N-OD2 3.4Å; N121-D260 WeakPolarHBondContact CA-OD1 3.29Å; N121-D260 VanDerWaalsContact CB-OD1 3.27Å; N121-D260 WeakPolarHBondContact CB-OD1 3.31Å; N121-D260 PolarHBondContact N-OD1 3Å; I122-D260 PolarHBondContact N-OD1 2.85Å; I122-D260 PolarHBondContact O-N 2.5Å
261G79.3Confident90.5Very high26 Ų2654.4 Ų54.427%0.26828%0.284SS..THydrogen-bonded Turntrans94.4-5.9179.900000114.9N258 L259N258-G261 PolarHBondContact ND2-O 3.27Å; N258-G261 WeakPolarHBondContact OD1-CA 3.38Å; N258-G261 PolarHBondContact OD1-N 3.35Å; L259-G261 PolarHBondContact O-N 2.87Å
262E81.8Confident90.8Very high133 Ų13358.8 Ų58.862%0.62130%0.295SS*.EExtended strand (participates in β ladder)trans-109161.4178.8-63.7-60.1152.200112.4Y133 N258 L259 G264Y133-E262 PolarHBondContact OH-O 3.41Å; N258-E262 CarbonylContact C-O 3.6Å; N258-E262 VanDerWaalsContact CA-O 3.31Å; N258-E262 WeakPolarHBondContact CA-O 3.2Å; N258-E262 PolarHBondContact ND2-O 2.92Å; L259-E262 PolarHBondContact N-O 3.41Å; L259-E262 PolarHBondContact O-N 3.28Å; E262-G264 PolarHBondContact O-N 3.07Å
263Y87.1Confident91.3Very high103 Ų10351 Ų5140%0.40425%0.253SS..EExtended strand (participates in β ladder)trans-72.8112.5177.7179.9-116000112.1Y133 K254 M256 G265 D266Y133-Y263 HydrophobicContact CE1-CD2 4.45Å; Y133-Y263 HydrophobicContact CE2-CD2 4.12Å; Y133-Y263 AromaticContact CZ-CD2 3.91Å; Y133-Y263 VanDerWaalsContact OH-CA 3.23Å; Y133-Y263 WeakPolarHBondContact OH-CA 3.26Å; K254-Y263 PolarHBondContact NZ-OH 2.79Å; M256-Y263 HydrophobicContact CB-CD2 4.32Å; M256-Y263 HydrophobicContact CB-CE2 3.9Å; M256-Y263 HydrophobicContact CG-CE2 3.82Å; M256-Y263 HydrophobicContact SD-CE2 4.21Å; Y263-G265 VanDerWaalsContact CE2-O 3.23Å; Y263-G265 WeakPolarHBondContact CE2-O 3.46Å; Y263-D266 WeakPolarHBondContact CE2-OD1 3.23Å; Y263-D266 PolarHBondContact OH-OD1 2.93Å; Y263-D266 PolarHBondContact OH-OD2 2.75Å; Y263-D266 VanDerWaalsContact OH-OD2 3.06Å
264G87.7Confident91.8Very high14 Ų1445.1 Ų45.114%0.14423%0.228CC..EExtended strand (participates in β ladder)trans-96.914.6-178.400000114.9I257 E262I257-G264 PolarHBondContact O-N 2.7Å; E262-G264 PolarHBondContact O-N 3.07Å
265G90.5Very high92.2Very high15 Ų1545 Ų4516%0.15523%0.228CC..EExtended strand (participates in β ladder)trans89.9-160.2-173.100000113.3I257 Y263I257-G265 WeakPolarHBondContact CB-O 3.47Å; I257-G265 PolarHBondContact N-O 3.34Å; Y263-G265 VanDerWaalsContact CE2-O 3.23Å; Y263-G265 WeakPolarHBondContact CE2-O 3.46Å
266D93.2Very high92.3Very high40 Ų4045.9 Ų45.921%0.21423%0.233CC..EExtended strand (participates in β ladder)trans-117.3155.3-172.6-57.6-36.7000112.5R114 K254 M255 Y263R114-D266 PolarHBondContact NH2-O 2.78Å; K254-D266 WeakPolarHBondContact CE-OD1 3.32Å; K254-D266 WeakPolarHBondContact CE-OD2 3.44Å; K254-D266 IonicContact NZ-OD1 3.91Å; K254-D266 PolarHBondContact NZ-OD1 2.95Å; K254-D266 IonicContact NZ-OD2 2.77Å; K254-D266 PolarHBondContact NZ-OD2 3.29Å; M255-D266 WeakPolarHBondContact O-CA 3.3Å; Y263-D266 WeakPolarHBondContact CE2-OD1 3.23Å; Y263-D266 PolarHBondContact OH-OD1 2.93Å; Y263-D266 PolarHBondContact OH-OD2 2.75Å; Y263-D266 VanDerWaalsContact OH-OD2 3.06Å
267A94.5Very high92.5Very high13 Ų1345.2 Ų45.211%0.10723%0.229CC..SBendtrans-71.5149.9164.300000110.6I247 P249 M255 I257I247-A267 HydrophobicContact CG2-CB 4.44Å; P249-A267 HydrophobicContact CG-CB 4.09Å; M255-A267 HydrophobicContact CB-CB 4.12Å; M255-A267 HydrophobicContact CG-CB 4.23Å; M255-A267 PolarHBondContact O-N 3.34Å; M255-A267 HydrophobicContact SD-CB 4.09Å; I257-A267 HydrophobicContact CD1-CB 4.15Å
268P95.8Very high92.7Very high92 Ų9245.1 Ų45.160%0.59723%0.229SC*.SBendcis-69.9140.67.529.4-35.5000112.9I247I247-P268 CarbonylContact O-C 3.57Å; I247-P268 WeakPolarHBondContact O-CA 3.35Å
269I96.8Very high92.9Very high4 Ų446.1 Ų46.12%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-139.2144.7-178.4-164.1164.7000111.2A113 R114 E246 I247 I257 L271A113-I269 HydrophobicContact CB-CD1 4.12Å; R114-I269 HydrophobicContact CG-CD1 4.28Å; R114-I269 HydrophobicContact CG-CG1 4.06Å; E246-I269 CarbonylContact C-O 3.56Å; E246-I269 WeakPolarHBondContact CA-O 3.5Å; I247-I269 HydrophobicContact CB-CG2 4.08Å; I247-I269 HydrophobicContact CD1-CG2 4.17Å; I247-I269 HydrophobicContact CG1-CG2 4.45Å; I247-I269 PolarHBondContact N-O 3.2Å; I247-I269 PolarHBondContact O-N 3.46Å; I257-I269 HydrophobicContact CB-CD1 4.35Å; I257-I269 HydrophobicContact CD1-CG2 3.79Å; I257-I269 HydrophobicContact CG1-CB 4.37Å; I257-I269 HydrophobicContact CG1-CD1 3.98Å; I257-I269 HydrophobicContact CG1-CG2 3.91Å; I257-I269 HydrophobicContact CG2-CD1 4.17Å; I269-L271 HydrophobicContact CD1-CD2 4.05Å; I269-L271 HydrophobicContact CG1-CD2 4.06Å; I269-L271 HydrophobicContact CG2-CD2 4.49Å
270K97.4Very high93.2Very high106 Ų10645.7 Ų45.746%0.46123%0.233SC..EExtended strand (participates in β ladder)trans-106.8132171-67.3177.7-178.3174.60109.1R114 F244 L245 E246R114-K270 PolarHBondContact N-O 2.92Å; F244-K270 HydrophobicContact CE2-CB 4.24Å; F244-K270 HydrophobicContact CE2-CD 4.49Å; F244-K270 HydrophobicContact CE2-CG 4.36Å; F244-K270 HydrophobicContact CZ-CG 4.39Å; L245-K270 CarbonylContact O-C 3.46Å; L245-K270 WeakPolarHBondContact O-CA 3.42Å; E246-K270 HydrophobicContact CB-CG 4.27Å; E246-K270 HydrophobicContact CG-CG 4.08Å; E246-K270 WeakPolarHBondContact OE1-CE 3.33Å; E246-K270 IonicContact OE1-NZ 3.88Å
271L97.7Very high93.8Very high1 Ų144.3 Ų44.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-119.8139.3174.8-50.9179.8000109.4Q112 A113 F119 A123 A182 F205 F244 L245 I247 I269Q112-L271 CarbonylContact O-C 3.6Å; Q112-L271 VanDerWaalsContact O-CA 3.23Å; Q112-L271 WeakPolarHBondContact O-CA 3.37Å; A113-L271 HydrophobicContact CB-CD2 3.61Å; F119-L271 HydrophobicContact CE1-CD2 4.21Å; A123-L271 HydrophobicContact CB-CD1 3.59Å; A182-L271 HydrophobicContact CB-CD1 4.14Å; F205-L271 HydrophobicContact CE2-CB 3.97Å; F205-L271 HydrophobicContact CZ-CB 4.34Å; F244-L271 WeakPolarHBondContact CA-O 3.49Å; F244-L271 WeakPolarHBondContact CD2-O 3.43Å; L245-L271 HydrophobicContact CD1-CD1 4.05Å; L245-L271 HydrophobicContact CD2-CB 3.73Å; L245-L271 HydrophobicContact CD2-CD1 4.08Å; L245-L271 HydrophobicContact CD2-CG 4.41Å; L245-L271 HydrophobicContact CG-CB 3.94Å; L245-L271 HydrophobicContact CG-CD1 4.03Å; L245-L271 HydrophobicContact CG-CG 4.25Å; L245-L271 PolarHBondContact N-O 3.06Å; L245-L271 PolarHBondContact O-N 3.43Å; I247-L271 HydrophobicContact CD1-CD1 4.35Å; I269-L271 HydrophobicContact CD1-CD2 4.05Å; I269-L271 HydrophobicContact CG1-CD2 4.06Å; I269-L271 HydrophobicContact CG2-CD2 4.49Å
272R97.6Very high94.4Very high128 Ų12843 Ų4348%0.48321%0.213SC..EExtended strand (participates in β ladder)trans-129.3133.4174.7-71.1178-178.5-82.41.8109.6Q112 F205 D243 F244 L274Q112-R272 HydrophobicContact CB-CB 4.41Å; Q112-R272 PolarHBondContact N-O 3.24Å; Q112-R272 PolarHBondContact O-N 3.2Å; F205-R272 VanDerWaalsContact CZ-O 3.26Å; F205-R272 WeakPolarHBondContact CZ-O 3.4Å; D243-R272 CarbonylContact O-C 3.59Å; D243-R272 WeakPolarHBondContact O-CA 3.28Å; F244-R272 HydrophobicContact CD2-CG 3.9Å; R272-L274 HydrophobicContact CB-CD2 4.46Å
273N97.5Very high95Very high14 Ų1437.5 Ų37.58%0.07519%0.187CC..EExtended strand (participates in β ladder)trans-81.4125.8165.7179.9-49.9000106.7D109 G203 K204 F205 D243 K275D109-N273 WeakPolarHBondContact CB-OD1 3.47Å; D109-N273 VanDerWaalsContact CG-OD1 3.3Å; D109-N273 PolarHBondContact OD2-ND2 3.09Å; D109-N273 PolarHBondContact OD2-OD1 2.94Å; G203-N273 WeakPolarHBondContact CA-OD1 3.48Å; K204-N273 PolarHBondContact N-ND2 2.8Å; K204-N273 PolarHBondContact O-ND2 3.01Å; F205-N273 HydrophobicContact CD1-CB 4.22Å; F205-N273 HydrophobicContact CD2-CB 3.96Å; F205-N273 HydrophobicContact CE1-CB 4.04Å; F205-N273 HydrophobicContact CE2-CB 3.81Å; F205-N273 HydrophobicContact CG-CB 4.19Å; F205-N273 HydrophobicContact CZ-CB 3.86Å; F205-N273 VanDerWaalsContact CZ-N 3.33Å; D243-N273 PolarHBondContact O-N 2.93Å; N273-K275 PolarHBondContact OD1-N 2.78Å
274L96.9Very high95Very high32 Ų3233.3 Ų33.317%0.16817%0.173CC..EExtended strand (participates in β ladder)trans-96.899.3173.4-56.5-175.5000107.2D109 I110 Q112 Y118 R272 N276 H277D109-L274 VanDerWaalsContact CA-O 3.32Å; D109-L274 WeakPolarHBondContact CA-O 3.23Å; I110-L274 HydrophobicContact CD1-CD1 4.24Å; I110-L274 HydrophobicContact CG1-CB 3.97Å; I110-L274 HydrophobicContact CG1-CD1 4.09Å; I110-L274 HydrophobicContact CG1-CG 4.38Å; I110-L274 PolarHBondContact N-O 2.89Å; I110-L274 VanDerWaalsContact N-O 3.16Å; I110-L274 PolarHBondContact O-N 3.2Å; Q112-L274 HydrophobicContact CB-CD1 3.98Å; Q112-L274 HydrophobicContact CB-CD2 4.4Å; Q112-L274 HydrophobicContact CB-CG 4.06Å; Y118-L274 HydrophobicContact CD1-CD1 4.11Å; Y118-L274 HydrophobicContact CE1-CD1 3.72Å; R272-L274 HydrophobicContact CB-CD2 4.46Å; L274-N276 PolarHBondContact O-N 2.88Å; L274-H277 HydrophobicContact CB-CB 3.74Å; L274-H277 WeakPolarHBondContact O-CB 3.44Å
275K96.1Very high95.1Very high105 Ų10537 Ų3746%0.45719%0.189SC..EExtended strand (participates in β ladder)trans-60.6132.5-176.5-174.6176.9-178.8-175.20111.2D109 D201 N273 H277D109-K275 VanDerWaalsContact OD1-CA 3.22Å; D109-K275 WeakPolarHBondContact OD1-CA 3.47Å; D201-K275 VanDerWaalsContact O-CE 3.26Å; D201-K275 WeakPolarHBondContact O-CE 3.44Å; N273-K275 PolarHBondContact OD1-N 2.78Å; K275-H277 PolarHBondContact O-N 2.78Å
276N95.4Very high94.9Very high26 Ų2642.3 Ų42.314%0.13921%0.21CC..EExtended strand (participates in β ladder)trans51.533.1172-66.25.8000113.5Q107 M108 D109 D201 L274Q107-N276 HydrophobicContact CB-CB 3.76Å; M108-N276 CarbonylContact O-C 3.59Å; D109-N276 PolarHBondContact OD1-N 3.47Å; D201-N276 PolarHBondContact O-OD1 2.88Å; L274-N276 PolarHBondContact O-N 2.88Å
277H96.6Very high94.4Very high38 Ų3841.1 Ų41.118%0.17620%0.203CC..EExtended strand (participates in β ladder)trans-74.8-33.4-165.1-162.871.3000113.6A63 R68 M108 I110 L274 K275A63-H277 PolarHBondContact O-NE2 2.78Å; R68-H277 VanDerWaalsContact CZ-O 3.3Å; R68-H277 PolarHBondContact NE-O 3.39Å; R68-H277 PolarHBondContact NH2-O 2.87Å; M108-H277 PolarHBondContact O-N 3.4Å; I110-H277 HydrophobicContact CD1-CB 4.28Å; I110-H277 VanDerWaalsContact CD1-CD2 3.43Å; I110-H277 WeakPolarHBondContact CD1-CD2 3.5Å; I110-H277 HydrophobicContact CG1-CB 3.96Å; L274-H277 HydrophobicContact CB-CB 3.74Å; L274-H277 WeakPolarHBondContact O-CB 3.44Å; K275-H277 PolarHBondContact O-N 2.78Å
278I96.6Very high93.5Very high1 Ų143.8 Ų43.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-127.9133.3-178.6-60.7178.7000109.6V59 I62 A63 M71 M108 I110 F280V59-I278 HydrophobicContact CB-CD1 4.23Å; V59-I278 HydrophobicContact CG1-CD1 3.69Å; V59-I278 HydrophobicContact CG2-CD1 3.93Å; I62-I278 HydrophobicContact CD1-CD1 4.11Å; I62-I278 HydrophobicContact CD1-CG2 4.24Å; I62-I278 HydrophobicContact CG1-CD1 4.02Å; A63-I278 HydrophobicContact CB-CD1 4.31Å; M71-I278 HydrophobicContact CB-CG2 4.09Å; M108-I278 PolarHBondContact N-O 3.08Å; M108-I278 PolarHBondContact O-N 2.74Å; I110-I278 HydrophobicContact CD1-CD1 4.02Å; I110-I278 HydrophobicContact CD1-CG1 4.44Å; I110-I278 HydrophobicContact CG2-CD1 4.1Å; I110-I278 HydrophobicContact CG2-CG1 4.41Å; I278-F280 HydrophobicContact CB-CD2 4.19Å; I278-F280 HydrophobicContact CB-CE2 3.54Å; I278-F280 HydrophobicContact CB-CZ 4.04Å; I278-F280 HydrophobicContact CD1-CZ 4.49Å; I278-F280 HydrophobicContact CG2-CD2 3.85Å; I278-F280 HydrophobicContact CG2-CE1 4.19Å; I278-F280 HydrophobicContact CG2-CE2 3.39Å; I278-F280 HydrophobicContact CG2-CG 4.43Å; I278-F280 HydrophobicContact CG2-CZ 3.58Å; I278-F280 WeakPolarHBondContact O-CD2 3.37Å
279T96.8Very high92.4Very high37 Ų3745.4 Ų45.423%0.22722%0.224CC..EExtended strand (participates in β ladder)trans-88119.9173.8-58.30000109.9Q70 M71 T105 I106Q70-T279 WeakPolarHBondContact CA-O 3.43Å; Q70-T279 HydrophobicContact CG-CG2 4.07Å; M71-T279 PolarHBondContact N-O 3.35Å; T105-T279 HydrophobicContact CG2-CG2 4.13Å; I106-T279 CarbonylContact O-C 3.56Å; I106-T279 WeakPolarHBondContact O-CA 3.4Å
280F96.7Very high91.3Very high0 Ų051.5 Ų51.50%026%0.257CS..EExtended strand (participates in β ladder)trans-109.9138.8179-69.9-91.5000111.7V59 M71 I73 F82 L86 T105 I106 M108 I278V59-F280 HydrophobicContact CG2-CE1 4.46Å; V59-F280 HydrophobicContact CG2-CZ 4.02Å; M71-F280 HydrophobicContact CB-CD1 3.73Å; M71-F280 HydrophobicContact CB-CE1 3.83Å; M71-F280 HydrophobicContact CB-CG 4.46Å; M71-F280 HydrophobicContact CE-CE1 4.05Å; M71-F280 HydrophobicContact CG-CD1 3.89Å; M71-F280 HydrophobicContact CG-CE1 3.71Å; M71-F280 CarbonylContact O-C 3.51Å; M71-F280 VanDerWaalsContact O-CA 3.25Å; M71-F280 WeakPolarHBondContact O-CA 3.31Å; M71-F280 HydrophobicContact SD-CD1 4.14Å; M71-F280 HydrophobicContact SD-CE1 3.32Å; M71-F280 WeakPolarHBondContact SD-CE1 3.37Å; M71-F280 HydrophobicContact SD-CZ 3.97Å; I73-F280 HydrophobicContact CD1-CD1 4.24Å; I73-F280 HydrophobicContact CD1-CE1 4.4Å; F82-F280 AromaticContact CE1-CD1 3.72Å; F82-F280 HydrophobicContact CE1-CD1 3.72Å; F82-F280 HydrophobicContact CE1-CD2 4.46Å; F82-F280 AromaticContact CE1-CE1 3.46Å; F82-F280 HydrophobicContact CE1-CE1 3.46Å; F82-F280 VanDerWaalsContact CE1-CE1 3.46Å; F82-F280 HydrophobicContact CE1-CE2 4.24Å; F82-F280 HydrophobicContact CE1-CG 4.21Å; F82-F280 AromaticContact CE1-CZ 3.76Å; F82-F280 HydrophobicContact CE1-CZ 3.76Å; F82-F280 HydrophobicContact CZ-CD1 4.27Å; F82-F280 HydrophobicContact CZ-CD2 4.25Å; F82-F280 AromaticContact CZ-CE1 3.86Å; F82-F280 HydrophobicContact CZ-CE1 3.86Å; F82-F280 AromaticContact CZ-CE2 3.83Å; F82-F280 HydrophobicContact CZ-CE2 3.83Å; F82-F280 HydrophobicContact CZ-CG 4.44Å; F82-F280 AromaticContact CZ-CZ 3.63Å; F82-F280 HydrophobicContact CZ-CZ 3.63Å; L86-F280 HydrophobicContact CD1-CB 3.95Å; L86-F280 HydrophobicContact CD1-CD1 4.25Å; L86-F280 HydrophobicContact CD1-CG 4.26Å; T105-F280 CarbonylContact C-O 3.59Å; T105-F280 WeakPolarHBondContact CA-O 3.46Å; T105-F280 WeakPolarHBondContact CB-O 3.36Å; I106-F280 PolarHBondContact N-O 3.3Å; I106-F280 PolarHBondContact O-N 3.38Å; M108-F280 HydrophobicContact CB-CD2 3.77Å; M108-F280 HydrophobicContact CB-CE2 3.97Å; M108-F280 HydrophobicContact CG-CD2 3.79Å; M108-F280 HydrophobicContact CG-CE2 4.41Å; M108-F280 HydrophobicContact SD-CB 4.1Å; M108-F280 HydrophobicContact SD-CD2 3.53Å; M108-F280 VanDerWaalsContact SD-CD2 3.53Å; M108-F280 HydrophobicContact SD-CE2 4.11Å; M108-F280 HydrophobicContact SD-CG 3.94Å; I278-F280 HydrophobicContact CB-CD2 4.19Å; I278-F280 HydrophobicContact CB-CE2 3.54Å; I278-F280 HydrophobicContact CB-CZ 4.04Å; I278-F280 HydrophobicContact CD1-CZ 4.49Å; I278-F280 HydrophobicContact CG2-CD2 3.85Å; I278-F280 HydrophobicContact CG2-CE1 4.19Å; I278-F280 HydrophobicContact CG2-CE2 3.39Å; I278-F280 HydrophobicContact CG2-CG 4.43Å; I278-F280 HydrophobicContact CG2-CZ 3.58Å; I278-F280 WeakPolarHBondContact O-CD2 3.37Å
281F96.9Very high90Very high2 Ų247.2 Ų47.21%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-66.8132.1161.8-79.8-94.1000110.1L45 Q70 M71 A72 I100 Q104 T105L45-F281 HydrophobicContact CD1-CD2 3.88Å; L45-F281 HydrophobicContact CD1-CE2 3.72Å; L45-F281 HydrophobicContact CD2-CE2 4.23Å; Q70-F281 HydrophobicContact CB-CD2 4.38Å; Q70-F281 HydrophobicContact CB-CE2 3.9Å; M71-F281 PolarHBondContact O-N 2.9Å; A72-F281 HydrophobicContact CB-CB 3.94Å; A72-F281 HydrophobicContact CB-CD2 4.04Å; A72-F281 HydrophobicContact CB-CG 4.24Å; I100-F281 HydrophobicContact CB-CD1 4.27Å; I100-F281 HydrophobicContact CB-CE1 4.4Å; I100-F281 HydrophobicContact CG1-CB 4.47Å; I100-F281 HydrophobicContact CG1-CD1 4.32Å; I100-F281 HydrophobicContact CG1-CG 4.27Å; I100-F281 HydrophobicContact CG2-CD1 4.17Å; I100-F281 HydrophobicContact CG2-CE1 3.83Å; I100-F281 HydrophobicContact CG2-CZ 4.07Å; I100-F281 WeakPolarHBondContact O-CE1 3.38Å; Q104-F281 WeakPolarHBondContact O-CA 3.33Å; T105-F281 HydrophobicContact CG2-CD1 3.96Å; T105-F281 HydrophobicContact CG2-CD2 4.16Å; T105-F281 HydrophobicContact CG2-CE1 4.04Å; T105-F281 HydrophobicContact CG2-CE2 4.2Å; T105-F281 HydrophobicContact CG2-CG 4.04Å; T105-F281 HydrophobicContact CG2-CZ 4.15Å
282A93.9Very high88.6Confident0 Ų048 Ų480%025%0.245CC..  trans-144.5158.4-176.300000110.7L86 Q104 I106 T284 I287L86-A282 HydrophobicContact CB-CB 4.12Å; L86-A282 HydrophobicContact CD2-CB 3.73Å; L86-A282 HydrophobicContact CG-CB 4.44Å; Q104-A282 VanDerWaalsContact CB-O 3.25Å; Q104-A282 WeakPolarHBondContact CB-O 3.4Å; Q104-A282 PolarHBondContact O-N 3.19Å; I106-A282 HydrophobicContact CD1-CB 3.76Å; I106-A282 HydrophobicContact CG1-CB 4.18Å; A282-T284 VanDerWaalsContact C-N 3.29Å; A282-T284 HydrophobicContact CB-CG2 4.17Å; A282-T284 PolarHBondContact O-N 3.1Å; A282-I287 HydrophobicContact CB-CD1 3.95Å
283N92.6Very high87.1Confident16 Ų1644.7 Ų44.79%0.08624%0.24CC..  trans-90.473.6170.4-174.618.8000109.1L86 K87 I99 K102 D285 E286L86-N283 PolarHBondContact O-N 3.38Å; K87-N283 HydrophobicContact CB-CB 3.97Å; K87-N283 WeakPolarHBondContact O-CB 3.3Å; K87-N283 PolarHBondContact O-ND2 3.03Å; I99-N283 HydrophobicContact CD1-CB 3.98Å; I99-N283 HydrophobicContact CG2-CB 4.39Å; K102-N283 PolarHBondContact NZ-OD1 3.14Å; N283-D285 PolarHBondContact O-N 3.35Å; N283-E286 VanDerWaalsContact ND2-CG 3.26Å; N283-E286 WeakPolarHBondContact ND2-CG 3.15Å; N283-E286 PolarHBondContact O-N 3.06Å
284T88.9Confident85.1Confident16 Ų1646.3 Ų46.310%0.09825%0.245CC..G310 helixtrans-60.4-26.7-172.952.50000113.3Q104 I106 A282 E286 I287 Q296Q104-T284 HydrophobicContact CB-CG2 4.17Å; Q104-T284 WeakPolarHBondContact CB-OG1 3.25Å; Q104-T284 WeakPolarHBondContact CG-OG1 3.42Å; Q104-T284 VanDerWaalsContact OE1-N 3.08Å; Q104-T284 PolarHBondContact OE1-OG1 3.08Å; I106-T284 HydrophobicContact CD1-CG2 3.78Å; I106-T284 HydrophobicContact CG1-CG2 3.64Å; A282-T284 VanDerWaalsContact C-N 3.29Å; A282-T284 HydrophobicContact CB-CG2 4.17Å; A282-T284 PolarHBondContact O-N 3.1Å; T284-E286 PolarHBondContact O-N 2.55Å; T284-E286 VanDerWaalsContact O-N 3.09Å; T284-I287 PolarHBondContact O-N 3.05Å; T284-I287 VanDerWaalsContact O-N 3.16Å; T284-Q296 PolarHBondContact OG1-NE2 3.25Å
285D88.3Confident83Confident90 Ų9048 Ų4848%0.48125%0.254SS..G310 helixtrans-58-22.9174.3-54.7-33.6000113.4K102 Q104 N283K102-D285 IonicContact NZ-OD2 2.77Å; K102-D285 PolarHBondContact NZ-OD2 3.27Å; Q104-D285 PolarHBondContact NE2-OD1 2.85Å; Q104-D285 PolarHBondContact NE2-OD2 2.83Å; Q104-D285 PolarHBondContact OE1-OD2 2.96Å; N283-D285 PolarHBondContact O-N 3.35Å
286E86.6Confident81Confident128 Ų12848.1 Ų48.160%0.59826%0.256SS*.G310 helixtrans-110.2-2.6-176.6-65.2-70.8154.300112.9K87 N283 T284K87-E286 HydrophobicContact CB-CB 3.79Å; K87-E286 HydrophobicContact CD-CB 4.28Å; K87-E286 WeakPolarHBondContact CE-O 3.3Å; K87-E286 HydrophobicContact CG-CB 3.86Å; K87-E286 WeakPolarHBondContact CG-O 3.38Å; N283-E286 VanDerWaalsContact ND2-CG 3.26Å; N283-E286 WeakPolarHBondContact ND2-CG 3.15Å; N283-E286 PolarHBondContact O-N 3.06Å; T284-E286 PolarHBondContact O-N 2.55Å; T284-E286 VanDerWaalsContact O-N 3.09Å
287I82.3Confident79Confident15 Ų1553.9 Ų53.98%0.07728%0.282CS..SBendtrans-85.8132.5178.8-66.6173.6000107.8K87 I106 A282 T284 A291 L292K87-I287 HydrophobicContact CB-CG1 4.17Å; K87-I287 HydrophobicContact CG-CB 4.47Å; K87-I287 HydrophobicContact CG-CD1 4.45Å; K87-I287 HydrophobicContact CG-CG1 3.45Å; K87-I287 VanDerWaalsContact CG-CG1 3.45Å; I106-I287 HydrophobicContact CD1-CD1 3.34Å; A282-I287 HydrophobicContact CB-CD1 3.95Å; T284-I287 PolarHBondContact O-N 3.05Å; T284-I287 VanDerWaalsContact O-N 3.16Å; I287-A291 HydrophobicContact CG2-CB 4.04Å; I287-L292 HydrophobicContact CG2-CD1 4.28Å; I287-L292 HydrophobicContact CG2-CG 4.36Å
288S76Confident77Confident68 Ų6855.6 Ų55.648%0.47629%0.293SS..  trans-66.4135.5177.4-1700000110D290 A291S288-D290 PolarHBondContact O-N 2.77Å; S288-D290 VanDerWaalsContact O-N 3.12Å; S288-A291 VanDerWaalsContact O-CB 3.29Å; S288-A291 WeakPolarHBondContact O-CB 3.35Å; S288-A291 PolarHBondContact O-N 2.84Å
289D73.4Confident75.1Confident126 Ų12657.2 Ų57.267%0.67430%0.301SS*.G310 helixtrans-54.7-33.1176.5-66.9-29000112.2A291 L292D289-A291 PolarHBondContact O-N 2.94Å; D289-A291 VanDerWaalsContact O-N 3.16Å; D289-L292 PolarHBondContact O-N 2.88Å; D289-L292 VanDerWaalsContact O-O 3.04Å
290D73.8Confident73.2Confident132 Ų13258 Ų5871%0.70631%0.311SS*.G310 helixtrans-61.5-21.1176.1-66.2-33.7000114.4S288 L292S288-D290 PolarHBondContact O-N 2.77Å; S288-D290 VanDerWaalsContact O-N 3.12Å; D290-L292 VanDerWaalsContact C-N 3.34Å
291A69.2Low71.3Confident16 Ų1663.4 Ų63.413%0.13234%0.34CS..G310 helixtrans-83.6-9-179.600000113.5K199 L200 I287 S288 D289K199-A291 WeakPolarHBondContact CA-O 3.39Å; L200-A291 PolarHBondContact N-O 2.72Å; I287-A291 HydrophobicContact CG2-CB 4.04Å; S288-A291 VanDerWaalsContact O-CB 3.29Å; S288-A291 WeakPolarHBondContact O-CB 3.35Å; S288-A291 PolarHBondContact O-N 2.84Å; D289-A291 PolarHBondContact O-N 2.94Å; D289-A291 VanDerWaalsContact O-N 3.16Å
292L67.7Low69.4Low17 Ų1766.7 Ų66.79%0.08936%0.355CS..  trans-122.1150.8178.7-61.5173.9000110.4I106 K199 L200 D201 I287 D289 D290 W294I106-L292 HydrophobicContact CD1-CD1 3.97Å; I106-L292 HydrophobicContact CD1-CD2 4.1Å; I106-L292 HydrophobicContact CG1-CD1 4.29Å; I106-L292 HydrophobicContact CG1-CD2 4.5Å; I106-L292 HydrophobicContact CG2-CD2 3.73Å; K199-L292 PolarHBondContact NZ-O 2.79Å; L200-L292 HydrophobicContact CB-CD2 4.16Å; L200-L292 HydrophobicContact CD1-CD2 4.49Å; D201-L292 WeakPolarHBondContact OD1-CA 3.43Å; I287-L292 HydrophobicContact CG2-CD1 4.28Å; I287-L292 HydrophobicContact CG2-CG 4.36Å; D289-L292 PolarHBondContact O-N 2.88Å; D289-L292 VanDerWaalsContact O-O 3.04Å; D290-L292 VanDerWaalsContact C-N 3.34Å; L292-W294 WeakPolarHBondContact CB-O 3.41Å
293V66.5Low67.7Low60 Ų6069.4 Ų69.436%0.36438%0.377SS..SBendtrans-75.6-41.6168.8-1790000109.4K199 D201 D202K199-V293 HydrophobicContact CB-CG2 4.37Å; K199-V293 HydrophobicContact CD-CB 4.43Å; K199-V293 HydrophobicContact CD-CG2 3.5Å; D201-V293 VanDerWaalsContact CG-N 3.31Å; D201-V293 PolarHBondContact OD1-N 3.05Å; D201-V293 PolarHBondContact OD2-N 2.77Å; D202-V293 HydrophobicContact CB-CG2 3.4Å; D202-V293 VanDerWaalsContact CB-CG2 3.4Å
294W55.1Low66.2Low48 Ų4874.2 Ų74.218%0.18240%0.402CS..SBendtrans-104.7129.4-177.5-59.9-19.3000110.2D201 L292 D298 L299 E302D201-W294 PolarHBondContact OD2-N 2.78Å; L292-W294 WeakPolarHBondContact CB-O 3.41Å; W294-D298 HydrophobicContact CB-CB 3.91Å; W294-D298 HydrophobicContact CG-CB 4.26Å; W294-L299 HydrophobicContact CB-CG 3.97Å; W294-L299 HydrophobicContact CE3-CD2 3.6Å; W294-L299 HydrophobicContact CE3-CG 4.1Å; W294-L299 HydrophobicContact CZ3-CD2 4.22Å; W294-E302 WeakPolarHBondContact CH2-OE1 3.36Å; W294-E302 WeakPolarHBondContact CH2-OE2 3.13Å; W294-E302 WeakPolarHBondContact CZ2-OE2 3.45Å; W294-E302 HydrophobicContact CZ3-CG 4.41Å; W294-E302 WeakPolarHBondContact CZ3-OE2 3.28Å
295N52.8Low64.6Low66 Ų6675.9 Ų75.935%0.35342%0.417SS..  trans-72.416816566.329.1000109.1E297 D298 L299N295-E297 PolarHBondContact O-N 3.41Å; N295-E297 VanDerWaalsContact O-N 3.15Å; N295-E297 PolarHBondContact OD1-N 2.69Å; N295-D298 PolarHBondContact O-N 3.04Å; N295-D298 VanDerWaalsContact O-N 3.17Å; N295-D298 PolarHBondContact OD1-N 2.91Å; N295-D298 PolarHBondContact OD1-OD2 2.77Å; N295-L299 PolarHBondContact O-N 2.98Å
296Q55.7Low63.3Low108 Ų10875.8 Ų75.851%0.50541%0.414SS..Hα-helixtrans-57.2-30.8-177.3-76.6-175.9-1600113.9T284 A300T284-Q296 PolarHBondContact OG1-NE2 3.25Å; Q296-A300 WeakPolarHBondContact O-CB 3.39Å; Q296-A300 PolarHBondContact O-N 2.96Å
297E52Low62Low147 Ų14775.9 Ų75.969%0.68741%0.412SS*.Hα-helixtrans-67.8-43.7179.2-67.3-174.9164.200111.2N295 A300 L301N295-E297 PolarHBondContact O-N 3.41Å; N295-E297 VanDerWaalsContact O-N 3.15Å; N295-E297 PolarHBondContact OD1-N 2.69Å; E297-A300 PolarHBondContact O-N 3.16Å; E297-L301 WeakPolarHBondContact O-CB 3.25Å; E297-L301 PolarHBondContact O-N 2.55Å
298D55.3Low60.7Low75 Ų7581.5 Ų81.540%0.40144%0.437SS..Hα-helixtrans-64-42177.3-68.7-29.3000111.4W294 N295 A300 L301 E302W294-D298 HydrophobicContact CB-CB 3.91Å; W294-D298 HydrophobicContact CG-CB 4.26Å; N295-D298 PolarHBondContact O-N 3.04Å; N295-D298 VanDerWaalsContact O-N 3.17Å; N295-D298 PolarHBondContact OD1-N 2.91Å; N295-D298 PolarHBondContact OD1-OD2 2.77Å; D298-A300 PolarHBondContact O-N 2.98Å; D298-L301 PolarHBondContact O-N 2.61Å; D298-E302 PolarHBondContact O-N 3.3Å
299L56.1Low59.7Low34 Ų3481.9 Ų81.918%0.17844%0.436CS..Hα-helixtrans-61.6-41.7174.6-82.2162.7000112.4W294 N295 E302 A303W294-L299 HydrophobicContact CB-CG 3.97Å; W294-L299 HydrophobicContact CE3-CD2 3.6Å; W294-L299 HydrophobicContact CE3-CG 4.1Å; W294-L299 HydrophobicContact CZ3-CD2 4.22Å; N295-L299 PolarHBondContact O-N 2.98Å; L299-E302 PolarHBondContact O-N 3.19Å; L299-A303 WeakPolarHBondContact O-CB 3.48Å; L299-A303 PolarHBondContact O-N 2.93Å
300A57.1Low59.1Low53 Ų5382 Ų8244%0.43843%0.432SS..Hα-helixtrans-66.2-41.5177.500000111.6Q296 E297 D298 I304Q296-A300 WeakPolarHBondContact O-CB 3.39Å; Q296-A300 PolarHBondContact O-N 2.96Å; E297-A300 PolarHBondContact O-N 3.16Å; D298-A300 PolarHBondContact O-N 2.98Å; A300-I304 WeakPolarHBondContact O-CD1 3.38Å; A300-I304 VanDerWaalsContact O-CG1 3.25Å; A300-I304 WeakPolarHBondContact O-CG1 2.94Å; A300-I304 PolarHBondContact O-N 3.46Å; A300-I304 VanDerWaalsContact O-N 3.1Å
301L57.6Low58.5Low115 Ų11580 Ų8060%0.60242%0.419SS*.Hα-helixtrans-62.3-42.7174.3-96.8144.4000112E297 D298 I304 A305E297-L301 WeakPolarHBondContact O-CB 3.25Å; E297-L301 PolarHBondContact O-N 2.55Å; D298-L301 PolarHBondContact O-N 2.61Å; L301-I304 PolarHBondContact O-N 2.93Å; L301-A305 PolarHBondContact O-N 2.81Å
302E56.7Low57.9Low70 Ų7081.6 Ų81.633%0.32743%0.427SS..Hα-helixtrans-70.2-38.6178.9-170.2160.7158.100112.6W294 D298 L299 I304 A305 Q306W294-E302 WeakPolarHBondContact CH2-OE1 3.36Å; W294-E302 WeakPolarHBondContact CH2-OE2 3.13Å; W294-E302 WeakPolarHBondContact CZ2-OE2 3.45Å; W294-E302 HydrophobicContact CZ3-CG 4.41Å; W294-E302 WeakPolarHBondContact CZ3-OE2 3.28Å; D298-E302 PolarHBondContact O-N 3.3Å; L299-E302 PolarHBondContact O-N 3.19Å; E302-I304 VanDerWaalsContact C-N 3.28Å; E302-I304 PolarHBondContact O-N 2.75Å; E302-A305 PolarHBondContact O-N 2.96Å; E302-A305 VanDerWaalsContact O-N 3.11Å; E302-Q306 HydrophobicContact CG-CG 4.38Å; E302-Q306 WeakPolarHBondContact O-CG 2.9Å; E302-Q306 PolarHBondContact O-N 3.23Å; E302-Q306 PolarHBondContact OE1-NE2 2.81Å
303A58Low57.5Low57 Ų5785.4 Ų85.447%0.47145%0.448SS..Hα-helixtrans-60.2-39.317300000111.8L299 K307L299-A303 WeakPolarHBondContact O-CB 3.48Å; L299-A303 PolarHBondContact O-N 2.93Å; A303-K307 WeakPolarHBondContact O-CB 3.48Å; A303-K307 PolarHBondContact O-N 2.77Å
304I61.1Low57.6Low118 Ų11888.5 Ų88.561%0.60546%0.458SS*.Hα-helixtrans-64-44.1173-67.9164.6000110.5A300 L301 E302 K307 F308A300-I304 WeakPolarHBondContact O-CD1 3.38Å; A300-I304 VanDerWaalsContact O-CG1 3.25Å; A300-I304 WeakPolarHBondContact O-CG1 2.94Å; A300-I304 PolarHBondContact O-N 3.46Å; A300-I304 VanDerWaalsContact O-N 3.1Å; L301-I304 PolarHBondContact O-N 2.93Å; E302-I304 VanDerWaalsContact C-N 3.28Å; E302-I304 PolarHBondContact O-N 2.75Å; I304-K307 PolarHBondContact O-N 3.38Å; I304-F308 WeakPolarHBondContact O-CB 3.18Å; I304-F308 PolarHBondContact O-N 2.91Å
305A55.4Low57.9Low51 Ų5191.7 Ų91.742%0.42148%0.478SS..Hα-helixtrans-64.9-40.9179.400000112.8L301 E302 F308 T309L301-A305 PolarHBondContact O-N 2.81Å; E302-A305 PolarHBondContact O-N 2.96Å; E302-A305 VanDerWaalsContact O-N 3.11Å; A305-F308 PolarHBondContact O-N 2.77Å; A305-T309 PolarHBondContact O-N 2.84Å; A305-T309 PolarHBondContact O-OG1 2.88Å
306Q59.9Low58.1Low88 Ų8893.5 Ų93.541%0.41149%0.488SS..Hα-helixtrans-66.3-43.8176.4-73-178.53.400111.5E302 F308 T309 Q310E302-Q306 HydrophobicContact CG-CG 4.38Å; E302-Q306 WeakPolarHBondContact O-CG 2.9Å; E302-Q306 PolarHBondContact O-N 3.23Å; E302-Q306 PolarHBondContact OE1-NE2 2.81Å; Q306-F308 VanDerWaalsContact C-N 3.33Å; Q306-F308 PolarHBondContact O-N 2.93Å; Q306-T309 PolarHBondContact O-N 2.8Å; Q306-Q310 PolarHBondContact O-N 3.28Å
307K61.3Low58.5Low129 Ų12992.8 Ų92.856%0.56149%0.494SS*.Hα-helixtrans-61.5-42.8175.9-168.9179.5179.4-172.10111.6A303 I304 T309 Q310 E311A303-K307 WeakPolarHBondContact O-CB 3.48Å; A303-K307 PolarHBondContact O-N 2.77Å; I304-K307 PolarHBondContact O-N 3.38Å; K307-T309 VanDerWaalsContact C-N 3.33Å; K307-T309 PolarHBondContact O-N 3.23Å; K307-Q310 PolarHBondContact O-N 3.14Å; K307-E311 VanDerWaalsContact CE-OE1 3.28Å; K307-E311 WeakPolarHBondContact CE-OE1 3.4Å; K307-E311 WeakPolarHBondContact O-CG 3.39Å; K307-E311 PolarHBondContact O-N 3.21Å
308F54.6Low58.9Low134 Ų13493.9 Ų93.959%0.58850%0.5SS*.Hα-helixtrans-62.3-40174.9-172.8-96.9000112I304 A305 Q306 E311 V312I304-F308 WeakPolarHBondContact O-CB 3.18Å; I304-F308 PolarHBondContact O-N 2.91Å; A305-F308 PolarHBondContact O-N 2.77Å; Q306-F308 VanDerWaalsContact C-N 3.33Å; Q306-F308 PolarHBondContact O-N 2.93Å; F308-E311 PolarHBondContact O-N 2.96Å; F308-V312 HydrophobicContact CD1-CG2 4.09Å; F308-V312 HydrophobicContact CE1-CG2 3.76Å; F308-V312 HydrophobicContact CZ-CG2 4.04Å; F308-V312 WeakPolarHBondContact O-CB 3.39Å; F308-V312 VanDerWaalsContact O-CG2 3.25Å; F308-V312 WeakPolarHBondContact O-CG2 3.39Å; F308-V312 PolarHBondContact O-N 2.9Å
309T53.9Low58.5Low76 Ų76101.3 Ų101.347%0.46653%0.532SS..Hα-helixtrans-64.7-43.7177.2-51.40000111.3A305 Q306 K307 V312 D313A305-T309 PolarHBondContact O-N 2.84Å; A305-T309 PolarHBondContact O-OG1 2.88Å; Q306-T309 PolarHBondContact O-N 2.8Å; K307-T309 VanDerWaalsContact C-N 3.33Å; K307-T309 PolarHBondContact O-N 3.23Å; T309-V312 PolarHBondContact O-N 3.03Å; T309-D313 PolarHBondContact O-N 3Å
310Q61.1Low58.7Low127 Ų127104.7 Ų104.759%0.59355%0.55SS*.Hα-helixtrans-61.6-45.6174.7-79.3-178.9-19.500112.3Q306 K307 V312 D313 E314Q306-Q310 PolarHBondContact O-N 3.28Å; K307-Q310 PolarHBondContact O-N 3.14Å; Q310-V312 VanDerWaalsContact C-N 3.3Å; Q310-V312 PolarHBondContact O-N 2.89Å; Q310-D313 PolarHBondContact O-N 2.82Å; Q310-E314 WeakPolarHBondContact O-CG 3.15Å; Q310-E314 PolarHBondContact O-N 2.86Å
311E61.4Low58.7Low90 Ų90107.4 Ų107.442%0.42156%0.555SS.*Hα-helixtrans-62.2-37.3177.6-74.2174.8-174.600111.8K307 F308 L315K307-E311 VanDerWaalsContact CE-OE1 3.28Å; K307-E311 WeakPolarHBondContact CE-OE1 3.4Å; K307-E311 WeakPolarHBondContact O-CG 3.39Å; K307-E311 PolarHBondContact O-N 3.21Å; F308-E311 PolarHBondContact O-N 2.96Å; E311-L315 WeakPolarHBondContact O-CB 3.02Å; E311-L315 WeakPolarHBondContact O-CD1 3.29Å; E311-L315 VanDerWaalsContact O-CG 3.25Å; E311-L315 WeakPolarHBondContact O-CG 3.37Å; E311-L315 PolarHBondContact O-N 2.84Å
312V55.9Low58.8Low50 Ų50106.9 Ų106.930%0.30355%0.553SS.*Hα-helixtrans-68.8-40.9175.4170.20000111.9F308 T309 Q310 L315 N316F308-V312 HydrophobicContact CD1-CG2 4.09Å; F308-V312 HydrophobicContact CE1-CG2 3.76Å; F308-V312 HydrophobicContact CZ-CG2 4.04Å; F308-V312 WeakPolarHBondContact O-CB 3.39Å; F308-V312 VanDerWaalsContact O-CG2 3.25Å; F308-V312 WeakPolarHBondContact O-CG2 3.39Å; F308-V312 PolarHBondContact O-N 2.9Å; T309-V312 PolarHBondContact O-N 3.03Å; Q310-V312 VanDerWaalsContact C-N 3.3Å; Q310-V312 PolarHBondContact O-N 2.89Å; V312-L315 PolarHBondContact O-N 3.42Å; V312-N316 VanDerWaalsContact O-CG 3.3Å; V312-N316 PolarHBondContact O-N 3.09Å; V312-N316 PolarHBondContact O-ND2 2.93Å; V312-N316 VanDerWaalsContact O-ND2 3.08Å
313D61Low58.9Low98 Ų98109.1 Ų109.152%0.52457%0.566SS.*Hα-helixtrans-66.9-38.4177.2-74.9-17.9000111.7T309 Q310 N316 S317T309-D313 PolarHBondContact O-N 3Å; Q310-D313 PolarHBondContact O-N 2.82Å; D313-N316 PolarHBondContact O-N 3.03Å; D313-S317 WeakPolarHBondContact O-CB 3.48Å; D313-S317 PolarHBondContact O-N 3.36Å; D313-S317 VanDerWaalsContact O-N 3.17Å; D313-S317 PolarHBondContact O-OG 2.97Å
314E67.8Low59Low124 Ų124112.4 Ų112.458%0.57957%0.572SS**Hα-helixtrans-62.3-47.4173.6-75.2178177.200111.1Q310 N316 S317 E318Q310-E314 WeakPolarHBondContact O-CG 3.15Å; Q310-E314 PolarHBondContact O-N 2.86Å; E314-N316 VanDerWaalsContact C-N 3.33Å; E314-N316 PolarHBondContact O-N 2.83Å; E314-S317 PolarHBondContact O-N 3.31Å; E314-S317 VanDerWaalsContact O-N 3.07Å; E314-S317 PolarHBondContact O-OG 2.85Å; E314-E318 PolarHBondContact O-N 3.02Å
315L61Low58.8Low115 Ų115112 Ų11260%0.60257%0.57SS**Hα-helixtrans-60.8-38.4177.5-75.4164.8000113E311 V312 S317 E318E311-L315 WeakPolarHBondContact O-CB 3.02Å; E311-L315 WeakPolarHBondContact O-CD1 3.29Å; E311-L315 VanDerWaalsContact O-CG 3.25Å; E311-L315 WeakPolarHBondContact O-CG 3.37Å; E311-L315 PolarHBondContact O-N 2.84Å; V312-L315 PolarHBondContact O-N 3.42Å; L315-S317 VanDerWaalsContact C-N 3.26Å; L315-S317 PolarHBondContact O-N 3.38Å; L315-E318 PolarHBondContact O-N 2.88Å
316N58.5Low59.1Low105 Ų105116.4 Ų116.456%0.56158%0.581SS**Hα-helixtrans-75.5-14.3177.8-70.5-35.8000113.4V312 D313 E314V312-N316 VanDerWaalsContact O-CG 3.3Å; V312-N316 PolarHBondContact O-N 3.09Å; V312-N316 PolarHBondContact O-ND2 2.93Å; V312-N316 VanDerWaalsContact O-ND2 3.08Å; D313-N316 PolarHBondContact O-N 3.03Å; E314-N316 VanDerWaalsContact C-N 3.33Å; E314-N316 PolarHBondContact O-N 2.83Å
317S63Low59Low92 Ų92118.5 Ų118.564%0.64359%0.594SS**Hα-helixtrans-91.5-9.7177.572.10000113.8D313 E314 L315D313-S317 WeakPolarHBondContact O-CB 3.48Å; D313-S317 PolarHBondContact O-N 3.36Å; D313-S317 VanDerWaalsContact O-N 3.17Å; D313-S317 PolarHBondContact O-OG 2.97Å; E314-S317 PolarHBondContact O-N 3.31Å; E314-S317 VanDerWaalsContact O-N 3.07Å; E314-S317 PolarHBondContact O-OG 2.85Å; L315-S317 VanDerWaalsContact C-N 3.26Å; L315-S317 PolarHBondContact O-N 3.38Å
318E60.9Low58.9Low170 Ų170117.7 Ų117.779%0.79460%0.596SS**  trans-991.3177.9-67.3-169.6159.800114.1E314 L315E314-E318 PolarHBondContact O-N 3.02Å; L315-E318 PolarHBondContact O-N 2.88Å
319E47.2Very low59.2Low231 Ų231116.2 Ų116.2100%1.07960%0.597SS**  trans-1010170.5-69.1-167.4159.400113.2

Retrieved 319 of 319 residues in 751.2 ms (Link to these results)

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