A0A077ZM48_TRITR Loading...

Mitogen activated protein kinase kinase kinase

AlphaFold DB , UniProt , Accession A0A077ZM48, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 449 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
1M45.9Very low81.7Confident153 Ų15382.7 Ų82.775%0.75444%0.435SS*.  0129.70-82.9-177.7-93.300106.7S60 R66M1-S60 WeakPolarHBondContact CE-OG 3.05Å; M1-R66 PolarHBondContact SD-NH2 3.08Å
2S58.5Low82.8Confident117 Ų11783.7 Ų83.782%0.81845%0.447SS*.PPolyproline II helixtrans-73.8127.917951.30000109.9E4S2-E4 PolarHBondContact O-N 3.03Å
3C76.3Confident83.5Confident37 Ų3783.5 Ų83.525%0.2545%0.445CS..PPolyproline II helixtrans-56.3123.9169.2-177.80000109.6L67C3-L67 HydrophobicContact CB-CD2 4.17Å
4E88.8Confident84.1Confident70 Ų7083.1 Ų83.133%0.32744%0.442SS..EExtended strand (participates in β ladder)trans-77.5138.1178.3-173.2173168.300110.4S2 I6 W30 R31 G69 I70S2-E4 PolarHBondContact O-N 3.03Å; E4-I6 HydrophobicContact CB-CG1 4.48Å; E4-I6 HydrophobicContact CG-CG1 4.34Å; E4-I6 PolarHBondContact O-N 3.45Å; E4-W30 WeakPolarHBondContact OE2-CH2 3.38Å; E4-R31 IonicContact OE1-CZ 3.2Å; E4-R31 IonicContact OE1-NH1 2.76Å; E4-R31 PolarHBondContact OE1-NH1 3.44Å; E4-R31 IonicContact OE1-NH2 2.86Å; E4-R31 PolarHBondContact OE1-NH2 3.44Å; E4-R31 IonicContact OE2-NH1 3.45Å; E4-R31 PolarHBondContact OE2-NH1 3.14Å; E4-G69 CarbonylContact O-C 3.54Å; E4-G69 WeakPolarHBondContact O-CA 3.45Å; E4-I70 PolarHBondContact O-N 3.32Å
5V90.2Very high84.4Confident102 Ų10279 Ų7962%0.61842%0.422SS*.EExtended strand (participates in β ladder)trans-83.9110.1167-178.70000107.7I70V5-I70 CarbonylContact C-O 3.53Å; V5-I70 WeakPolarHBondContact CA-O 3.34Å
6I91.1Very high84.4Confident5 Ų580.3 Ų80.33%0.02642%0.42CS..  trans-93.6132.7-176.3-63.9170.3000109E4 Q8 L11 W30 I70 C71 V81E4-I6 HydrophobicContact CB-CG1 4.48Å; E4-I6 HydrophobicContact CG-CG1 4.34Å; E4-I6 PolarHBondContact O-N 3.45Å; I6-Q8 PolarHBondContact O-N 3.45Å; I6-L11 HydrophobicContact CG2-CD2 4.25Å; I6-L11 HydrophobicContact CG2-CG 4.27Å; I6-W30 HydrophobicContact CD1-CD2 4.08Å; I6-W30 HydrophobicContact CD1-CE3 4.4Å; I6-W30 HydrophobicContact CD1-CH2 4.17Å; I6-W30 HydrophobicContact CD1-CZ2 3.82Å; I6-W30 HydrophobicContact CD1-CZ3 4.45Å; I6-W30 HydrophobicContact CG1-CH2 4.47Å; I6-W30 HydrophobicContact CG1-CZ2 3.78Å; I6-I70 PolarHBondContact N-O 3Å; I6-C71 PolarHBondContact O-SG 3.19Å; I6-V81 HydrophobicContact CD1-CB 3.79Å; I6-V81 HydrophobicContact CD1-CG1 3.98Å; I6-V81 HydrophobicContact CD1-CG2 3.86Å
7N89.1Confident84.1Confident88 Ų8879.6 Ų79.647%0.47142%0.419SS..  trans-72.4125.7169.9-172.2-34.1000109.2K9 E10N7-K9 PolarHBondContact O-N 2.76Å; N7-K9 WeakPolarHBondContact OD1-CB 3.37Å; N7-K9 PolarHBondContact OD1-N 2.94Å; N7-E10 HydrophobicContact CB-CG 4.16Å; N7-E10 WeakPolarHBondContact CB-OE1 3.29Å; N7-E10 VanDerWaalsContact O-CB 3.29Å; N7-E10 WeakPolarHBondContact O-CB 3.39Å; N7-E10 PolarHBondContact O-N 2.99Å
8Q86.7Confident83.1Confident63 Ų6376.2 Ų76.229%0.29441%0.407SS..G310 helixtrans-57.4-26.9-179-171.2173.6-1.200113I6 E10 L11 C71I6-Q8 PolarHBondContact O-N 3.45Å; Q8-E10 PolarHBondContact O-N 2.86Å; Q8-L11 WeakPolarHBondContact O-CB 3.38Å; Q8-L11 PolarHBondContact O-N 2.88Å; Q8-L11 VanDerWaalsContact O-N 3.08Å; Q8-C71 HydrophobicContact CB-CB 4.5Å
9K88.6Confident81.9Confident191 Ų19175.9 Ų75.983%0.8340%0.399SS*.G310 helixtrans-66.8-17.6174.8-63.2-179.5179.3178.30113.6N7 L11N7-K9 PolarHBondContact O-N 2.76Å; N7-K9 WeakPolarHBondContact OD1-CB 3.37Å; N7-K9 PolarHBondContact OD1-N 2.94Å; K9-L11 VanDerWaalsContact C-N 3.31Å
10E91.6Very high80.6Confident67 Ų6774.4 Ų74.431%0.31340%0.403SS..G310 helixtrans-80.7-12.5173.3-64.3176.5-121.600112.7N7 Q8 W30 R31N7-E10 HydrophobicContact CB-CG 4.16Å; N7-E10 WeakPolarHBondContact CB-OE1 3.29Å; N7-E10 VanDerWaalsContact O-CB 3.29Å; N7-E10 WeakPolarHBondContact O-CB 3.39Å; N7-E10 PolarHBondContact O-N 2.99Å; Q8-E10 PolarHBondContact O-N 2.86Å; E10-W30 PolarHBondContact OE2-NE1 2.84Å; E10-R31 IonicContact OE1-NH2 3.71Å; E10-R31 IonicContact OE2-CZ 3.33Å; E10-R31 IonicContact OE2-NE 2.88Å; E10-R31 PolarHBondContact OE2-NE 3.16Å; E10-R31 IonicContact OE2-NH2 2.99Å; E10-R31 PolarHBondContact OE2-NH2 2.89Å
11L92.3Very high79.2Confident17 Ų1772.6 Ų72.69%0.08940%0.402CS..EExtended strand (participates in β ladder)trans-90.8119.7179.1-62.1177.2000110.3I6 Q8 K9 W30 V35 V37 C71 V81I6-L11 HydrophobicContact CG2-CD2 4.25Å; I6-L11 HydrophobicContact CG2-CG 4.27Å; Q8-L11 WeakPolarHBondContact O-CB 3.38Å; Q8-L11 PolarHBondContact O-N 2.88Å; Q8-L11 VanDerWaalsContact O-N 3.08Å; K9-L11 VanDerWaalsContact C-N 3.31Å; L11-W30 HydrophobicContact CD2-CB 3.79Å; L11-W30 HydrophobicContact CD2-CG 4.06Å; L11-V35 HydrophobicContact CD2-CG2 4.3Å; L11-V37 HydrophobicContact CD1-CG1 4.14Å; L11-V37 HydrophobicContact CD1-CG2 4.14Å; L11-V37 HydrophobicContact CD2-CG2 4.31Å; L11-C71 VanDerWaalsContact CD1-SG 3.59Å; L11-V81 HydrophobicContact CD1-CG2 4.13Å; L11-V81 HydrophobicContact CD2-CG1 4.4Å; L11-V81 HydrophobicContact CD2-CG2 4.34Å
12V94.3Very high79.9Confident94 Ų9466.2 Ų66.257%0.5737%0.369SS*.EExtended strand (participates in β ladder)trans-102102.9170.8-176.60000108.5A28 R29V12-A28 CarbonylContact O-C 3.56Å; V12-A28 WeakPolarHBondContact O-CA 3.46Å; V12-A28 WeakPolarHBondContact O-CB 3.46Å; V12-R29 HydrophobicContact CB-CB 4.41Å; V12-R29 PolarHBondContact N-O 3.43Å; V12-R29 PolarHBondContact O-N 3.31Å
13L92.7Very high80.1Confident82 Ų8260.8 Ų60.843%0.42933%0.332SS..EExtended strand (participates in β ladder)trans-64.5134.9177.3-62.7179.3000110.6Y26 A28 Y39L13-Y26 HydrophobicContact CD2-CG 4.23Å; L13-A28 HydrophobicContact CD2-CB 3.94Å; L13-Y39 HydrophobicContact CD1-CE2 4.45Å; L13-Y39 HydrophobicContact CD2-CE2 4.1Å
14I91.4Very high80Confident78 Ų7859.7 Ų59.740%0.432%0.324SS..EExtended strand (participates in β ladder)trans-107.5-56.9-178.7-62.2171.7000110R27 R29I14-R27 HydrophobicContact CB-CG 4.36Å; I14-R27 WeakPolarHBondContact CB-O 3.36Å; I14-R27 HydrophobicContact CD1-CG 4.25Å; I14-R27 PolarHBondContact N-O 3.28Å; I14-R29 HydrophobicContact CD1-CB 4.29Å
15S88.1Confident79.8Confident21 Ų2158.2 Ų58.215%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-155.2151.9-176.963.50000111.5Y26 R27S15-Y26 CarbonylContact O-C 3.54Å; S15-Y26 VanDerWaalsContact O-CA 3.32Å; S15-Y26 WeakPolarHBondContact O-CA 3.44Å; S15-R27 PolarHBondContact N-O 2.85Å; S15-R27 PolarHBondContact O-N 2.96Å
16R85.1Confident79.8Confident100 Ų10056.4 Ų56.438%0.37730%0.302SS..EExtended strand (participates in β ladder)trans-70.2133.7165.5179.2173.3150-169.8-11.9108.2T24 Y26 E309R16-T24 HydrophobicContact CG-CG2 3.89Å; R16-Y26 HydrophobicContact CB-CD1 4.05Å; R16-Y26 HydrophobicContact CB-CE1 3.89Å; R16-Y26 HydrophobicContact CG-CE1 4.42Å; R16-E309 IonicContact NH2-OE1 3.17Å; R16-E309 PolarHBondContact NH2-OE1 3.33Å
17V78.3Confident79.9Confident68 Ų6859.3 Ų59.341%0.41231%0.313SS..EExtended strand (participates in β ladder)trans-102-40.5-179.4177.10000110.6V25 R27 Y84V17-V25 HydrophobicContact CB-CG1 4.39Å; V17-V25 PolarHBondContact N-O 3.08Å; V17-R27 HydrophobicContact CG2-CB 3.77Å; V17-Y84 HydrophobicContact CG2-CE2 3.95Å
18G67.6Low80.2Confident19 Ų1955.1 Ų55.120%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-179.5172.3-179.500000111.5V25G18-V25 PolarHBondContact N-O 3.35Å; G18-V25 PolarHBondContact O-N 2.8Å
19R60.1Low80.6Confident71 Ų7157.4 Ų57.427%0.26830%0.296SS..EExtended strand (participates in β ladder)trans-126.9118.9173.8-170173.8-177.7-139.9-8.5108.4P310 R343R19-P310 VanDerWaalsContact O-CG 3.29Å; R19-P310 WeakPolarHBondContact O-CG 2.98Å; R19-R343 VanDerWaalsContact NH1-CZ 3.32Å; R19-R343 VanDerWaalsContact NH2-NH1 3.12Å
20G55.5Low81Confident45 Ų4549.1 Ų49.146%0.46426%0.26SS..EExtended strand (participates in β ladder)trans-100-179175.200000111.4Y22 G23G20-Y22 PolarHBondContact O-N 3.19Å; G20-Y22 VanDerWaalsContact O-N 3.07Å; G20-G23 PolarHBondContact N-O 2.95Å; G20-G23 PolarHBondContact O-N 2.92Å
21G51.3Low81.1Confident37 Ų3753 Ų5338%0.38127%0.272SS..THydrogen-bonded Turntrans-64.6-8.5176.900000115
22Y59.2Low81.2Confident19 Ų1955.2 Ų55.28%0.07530%0.298CS..THydrogen-bonded Turntrans-122.617.2-177.9-53.6-70.2000113.4G20 F40 T157 S163 N167G20-Y22 PolarHBondContact O-N 3.19Å; G20-Y22 VanDerWaalsContact O-N 3.07Å; Y22-F40 WeakPolarHBondContact O-CD1 3.45Å; Y22-F40 WeakPolarHBondContact O-CE1 3Å; Y22-T157 HydrophobicContact CE2-CG2 3.94Å; Y22-T157 WeakPolarHBondContact OH-CG2 3.37Å; Y22-S163 VanDerWaalsContact OH-CB 3.24Å; Y22-S163 WeakPolarHBondContact OH-CB 3.4Å; Y22-N167 PolarHBondContact OH-ND2 3.27Å
23G64.6Low81.2Confident3 Ų354.2 Ų54.23%0.03129%0.289CS..EExtended strand (participates in β ladder)trans128.6-173.817500000114.9G20 Y39G20-G23 PolarHBondContact N-O 2.95Å; G20-G23 PolarHBondContact O-N 2.92Å; G23-Y39 WeakPolarHBondContact CA-O 3.37Å
24T73.4Confident81.3Confident13 Ų1352.7 Ų52.78%0.0828%0.281CS..EExtended strand (participates in β ladder)trans-99.8132.1-175.5-53.10000110.5R16 Y26 Y39R16-T24 HydrophobicContact CG-CG2 3.89Å; T24-Y26 HydrophobicContact CG2-CD2 4.08Å; T24-Y26 HydrophobicContact CG2-CE2 3.41Å; T24-Y26 VanDerWaalsContact CG2-CE2 3.41Å; T24-Y39 PolarHBondContact O-N 3.31Å
25V84.4Confident81.6Confident40 Ų4049 Ų4924%0.24226%0.262CS..EExtended strand (participates in β ladder)trans-101.4129.6177.5-175.80000109.8V17 G18 A36 V37 K38V17-V25 HydrophobicContact CB-CG1 4.39Å; V17-V25 PolarHBondContact N-O 3.08Å; G18-V25 PolarHBondContact N-O 3.35Å; G18-V25 PolarHBondContact O-N 2.8Å; V25-A36 HydrophobicContact CG1-CB 4.17Å; V25-V37 CarbonylContact C-O 3.58Å; V25-V37 WeakPolarHBondContact CA-O 3.19Å; V25-K38 HydrophobicContact CG2-CB 4.18Å; V25-K38 HydrophobicContact CG2-CG 4.1Å
26Y89.8Confident81.8Confident63 Ų6348.6 Ų48.625%0.24726%0.26CS..EExtended strand (participates in β ladder)trans-116.8145.9175.3-65.6-98.1000110.5L13 S15 R16 T24 A36 V37 Y39L13-Y26 HydrophobicContact CD2-CG 4.23Å; S15-Y26 CarbonylContact O-C 3.54Å; S15-Y26 VanDerWaalsContact O-CA 3.32Å; S15-Y26 WeakPolarHBondContact O-CA 3.44Å; R16-Y26 HydrophobicContact CB-CD1 4.05Å; R16-Y26 HydrophobicContact CB-CE1 3.89Å; R16-Y26 HydrophobicContact CG-CE1 4.42Å; T24-Y26 HydrophobicContact CG2-CD2 4.08Å; T24-Y26 HydrophobicContact CG2-CE2 3.41Å; T24-Y26 VanDerWaalsContact CG2-CE2 3.41Å; Y26-A36 CarbonylContact O-C 3.57Å; Y26-A36 WeakPolarHBondContact O-CA 3.48Å; Y26-V37 PolarHBondContact N-O 3.43Å; Y26-V37 PolarHBondContact O-N 3.06Å; Y26-Y39 AromaticContact CD2-CD2 3.49Å; Y26-Y39 HydrophobicContact CD2-CD2 3.49Å; Y26-Y39 VanDerWaalsContact CD2-CD2 3.49Å; Y26-Y39 AromaticContact CD2-CE2 3.63Å; Y26-Y39 HydrophobicContact CD2-CE2 3.63Å; Y26-Y39 AromaticContact CE2-CD2 3.65Å; Y26-Y39 HydrophobicContact CE2-CD2 3.65Å; Y26-Y39 HydrophobicContact CE2-CE2 4.01Å; Y26-Y39 HydrophobicContact CG-CE2 4.34Å
27R93.5Very high82.1Confident66 Ų6643.8 Ų43.825%0.24924%0.242CC..EExtended strand (participates in β ladder)trans-78.8133.1159.8-176.7-173.9177.6-178.60.4107.4I14 S15 V17 D34 Y84I14-R27 HydrophobicContact CB-CG 4.36Å; I14-R27 WeakPolarHBondContact CB-O 3.36Å; I14-R27 HydrophobicContact CD1-CG 4.25Å; I14-R27 PolarHBondContact N-O 3.28Å; S15-R27 PolarHBondContact N-O 2.85Å; S15-R27 PolarHBondContact O-N 2.96Å; V17-R27 HydrophobicContact CG2-CB 3.77Å; R27-D34 IonicContact CZ-OD2 3.85Å; R27-D34 IonicContact NE-OD2 3.45Å; R27-D34 PolarHBondContact NE-OD2 3.46Å; R27-D34 IonicContact NH2-OD2 2.73Å; R27-D34 PolarHBondContact NH2-OD2 2.82Å; R27-Y84 HydrophobicContact CB-CD2 4.26Å; R27-Y84 HydrophobicContact CB-CE2 3.89Å; R27-Y84 HydrophobicContact CG-CD1 4.28Å; R27-Y84 HydrophobicContact CG-CD2 4.02Å; R27-Y84 HydrophobicContact CG-CE1 4.09Å; R27-Y84 HydrophobicContact CG-CE2 3.86Å; R27-Y84 HydrophobicContact CG-CG 4.24Å
28A95.1Very high82.6Confident0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-139.5170.3176.400000111V12 L13 D34 V35 V37V12-A28 CarbonylContact O-C 3.56Å; V12-A28 WeakPolarHBondContact O-CA 3.46Å; V12-A28 WeakPolarHBondContact O-CB 3.46Å; L13-A28 HydrophobicContact CD2-CB 3.94Å; A28-D34 WeakPolarHBondContact O-CA 3.14Å; A28-V35 HydrophobicContact CB-CG2 3.93Å; A28-V35 PolarHBondContact N-O 2.84Å; A28-V35 PolarHBondContact O-N 2.82Å; A28-V37 HydrophobicContact CB-CG2 3.58Å
29R96.6Very high83.3Confident112 Ų11241.3 Ų41.342%0.42322%0.22SC..EExtended strand (participates in β ladder)trans-111.7131.9168.4-170.7155.1-68.3152.11.8109.9V12 I14 I33 D34V12-R29 HydrophobicContact CB-CB 4.41Å; V12-R29 PolarHBondContact N-O 3.43Å; V12-R29 PolarHBondContact O-N 3.31Å; I14-R29 HydrophobicContact CD1-CB 4.29Å; R29-I33 WeakPolarHBondContact CA-O 3.32Å; R29-D34 IonicContact CZ-OD1 3.87Å; R29-D34 IonicContact NE-OD1 3.45Å; R29-D34 PolarHBondContact NE-OD1 2.7Å; R29-D34 IonicContact NH2-OD1 2.8Å; R29-D34 PolarHBondContact NH2-OD1 2.84Å; R29-D34 IonicContact NH2-OD2 3.83Å
30W95.4Very high84.2Confident17 Ų1738 Ų386%0.06421%0.207CC..EExtended strand (participates in β ladder)trans-132.5121175.5177.458.6000108.7E4 I6 E10 L11 G32 I33 V35 H68E4-W30 WeakPolarHBondContact OE2-CH2 3.38Å; I6-W30 HydrophobicContact CD1-CD2 4.08Å; I6-W30 HydrophobicContact CD1-CE3 4.4Å; I6-W30 HydrophobicContact CD1-CH2 4.17Å; I6-W30 HydrophobicContact CD1-CZ2 3.82Å; I6-W30 HydrophobicContact CD1-CZ3 4.45Å; I6-W30 HydrophobicContact CG1-CH2 4.47Å; I6-W30 HydrophobicContact CG1-CZ2 3.78Å; E10-W30 PolarHBondContact OE2-NE1 2.84Å; L11-W30 HydrophobicContact CD2-CB 3.79Å; L11-W30 HydrophobicContact CD2-CG 4.06Å; W30-G32 PolarHBondContact O-N 2.8Å; W30-I33 HydrophobicContact CE3-CD1 3.98Å; W30-I33 HydrophobicContact CE3-CG1 4.23Å; W30-I33 HydrophobicContact CZ3-CD1 4.28Å; W30-I33 PolarHBondContact N-O 2.66Å; W30-I33 WeakPolarHBondContact O-CG1 3.27Å; W30-I33 PolarHBondContact O-N 3.31Å; W30-V35 HydrophobicContact CB-CG1 4.04Å; W30-V35 HydrophobicContact CB-CG2 3.91Å; W30-V35 HydrophobicContact CE3-CG1 4.34Å; W30-H68 HydrophobicContact CE3-CB 4.27Å; W30-H68 HydrophobicContact CZ3-CB 3.83Å
31R94.7Very high84.9Confident148 Ų14841.9 Ų41.956%0.55821%0.214SC*.THydrogen-bonded Turntrans46.739.3-179.6-61.9-178.2-177.7161.85.2114.4E4 E10 I33E4-R31 IonicContact OE1-CZ 3.2Å; E4-R31 IonicContact OE1-NH1 2.76Å; E4-R31 PolarHBondContact OE1-NH1 3.44Å; E4-R31 IonicContact OE1-NH2 2.86Å; E4-R31 PolarHBondContact OE1-NH2 3.44Å; E4-R31 IonicContact OE2-NH1 3.45Å; E4-R31 PolarHBondContact OE2-NH1 3.14Å; E10-R31 IonicContact OE1-NH2 3.71Å; E10-R31 IonicContact OE2-CZ 3.33Å; E10-R31 IonicContact OE2-NE 2.88Å; E10-R31 PolarHBondContact OE2-NE 3.16Å; E10-R31 IonicContact OE2-NH2 2.99Å; E10-R31 PolarHBondContact OE2-NH2 2.89Å; R31-I33 VanDerWaalsContact C-N 3.33Å; R31-I33 PolarHBondContact O-N 2.89Å
32G93.4Very high85.7Confident63 Ų6342 Ų4265%0.64921%0.207SC*.THydrogen-bonded Turntrans84.2-5.917800000115.8W30W30-G32 PolarHBondContact O-N 2.8Å
33I95.2Very high86.1Confident74 Ų7449.6 Ų49.638%0.37924%0.237SC..EExtended strand (participates in β ladder)trans-101.3148.8174.661.6162.5000111.5R29 W30 R31 V35R29-I33 WeakPolarHBondContact CA-O 3.32Å; W30-I33 HydrophobicContact CE3-CD1 3.98Å; W30-I33 HydrophobicContact CE3-CG1 4.23Å; W30-I33 HydrophobicContact CZ3-CD1 4.28Å; W30-I33 PolarHBondContact N-O 2.66Å; W30-I33 WeakPolarHBondContact O-CG1 3.27Å; W30-I33 PolarHBondContact O-N 3.31Å; R31-I33 VanDerWaalsContact C-N 3.33Å; R31-I33 PolarHBondContact O-N 2.89Å; I33-V35 HydrophobicContact CD1-CG1 4.01Å; I33-V35 HydrophobicContact CG1-CG1 4.03Å
34D95.5Very high86.2Confident50 Ų5054.4 Ų54.427%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-79.2132.4172.1-77.2-9.7000109.8R27 A28 R29 Y84R27-D34 IonicContact CZ-OD2 3.85Å; R27-D34 IonicContact NE-OD2 3.45Å; R27-D34 PolarHBondContact NE-OD2 3.46Å; R27-D34 IonicContact NH2-OD2 2.73Å; R27-D34 PolarHBondContact NH2-OD2 2.82Å; A28-D34 WeakPolarHBondContact O-CA 3.14Å; R29-D34 IonicContact CZ-OD1 3.87Å; R29-D34 IonicContact NE-OD1 3.45Å; R29-D34 PolarHBondContact NE-OD1 2.7Å; R29-D34 IonicContact NH2-OD1 2.8Å; R29-D34 PolarHBondContact NH2-OD1 2.84Å; R29-D34 IonicContact NH2-OD2 3.83Å; D34-Y84 HydrophobicContact CB-CD1 4.26Å
35V95.8Very high85.9Confident0 Ų055.1 Ų55.10%026%0.261CS..EExtended strand (participates in β ladder)trans-133.4154.6-177.2-61.30000110.9L11 A28 W30 I33 V37 V81 T82L11-V35 HydrophobicContact CD2-CG2 4.3Å; A28-V35 HydrophobicContact CB-CG2 3.93Å; A28-V35 PolarHBondContact N-O 2.84Å; A28-V35 PolarHBondContact O-N 2.82Å; W30-V35 HydrophobicContact CB-CG1 4.04Å; W30-V35 HydrophobicContact CB-CG2 3.91Å; W30-V35 HydrophobicContact CE3-CG1 4.34Å; I33-V35 HydrophobicContact CD1-CG1 4.01Å; I33-V35 HydrophobicContact CG1-CG1 4.03Å; V35-V37 HydrophobicContact CG2-CG2 4.06Å; V35-V81 HydrophobicContact CB-CG1 3.72Å; V35-V81 HydrophobicContact CG1-CG1 4.03Å; V35-V81 HydrophobicContact CG2-CG1 3.76Å; V35-T82 CarbonylContact C-O 3.56Å; V35-T82 WeakPolarHBondContact CA-O 3.42Å; V35-T82 WeakPolarHBondContact CB-O 3.42Å
36A93.6Very high85.2Confident12 Ų1257 Ų5710%0.09927%0.266CS..EExtended strand (participates in β ladder)trans-97.2132.2167.600000109.3V25 Y26 V81 T82 Y84V25-A36 HydrophobicContact CG1-CB 4.17Å; Y26-A36 CarbonylContact O-C 3.57Å; Y26-A36 WeakPolarHBondContact O-CA 3.48Å; A36-V81 WeakPolarHBondContact O-CA 3.49Å; A36-T82 PolarHBondContact N-O 2.85Å; A36-T82 PolarHBondContact O-N 2.77Å; A36-Y84 HydrophobicContact CB-CD2 4.31Å
37V91.6Very high84.2Confident0 Ų059.6 Ų59.60%028%0.278CS..EExtended strand (participates in β ladder)trans-119.7110.4-178-174.20000108.8L11 V25 Y26 A28 V35 Y39 C79 L80 V81L11-V37 HydrophobicContact CD1-CG1 4.14Å; L11-V37 HydrophobicContact CD1-CG2 4.14Å; L11-V37 HydrophobicContact CD2-CG2 4.31Å; V25-V37 CarbonylContact C-O 3.58Å; V25-V37 WeakPolarHBondContact CA-O 3.19Å; Y26-V37 PolarHBondContact N-O 3.43Å; Y26-V37 PolarHBondContact O-N 3.06Å; A28-V37 HydrophobicContact CB-CG2 3.58Å; V35-V37 HydrophobicContact CG2-CG2 4.06Å; V37-Y39 HydrophobicContact CB-CE2 4.24Å; V37-Y39 HydrophobicContact CG1-CD2 4.04Å; V37-Y39 HydrophobicContact CG1-CE1 4.28Å; V37-Y39 HydrophobicContact CG1-CE2 3.52Å; V37-C79 HydrophobicContact CG1-CB 3.73Å; V37-C79 VanDerWaalsContact CG1-SG 3.54Å; V37-L80 WeakPolarHBondContact CA-O 3.41Å; V37-V81 HydrophobicContact CG2-CG2 4.47Å
38K87.7Confident83Confident20 Ų2057.2 Ų57.29%0.08727%0.272CS..EExtended strand (participates in β ladder)trans-97.5115.1176.2-174.4177174.9-1710108.9V25 F40 E52 C79 L80 D154V25-K38 HydrophobicContact CG2-CB 4.18Å; V25-K38 HydrophobicContact CG2-CG 4.1Å; K38-F40 HydrophobicContact CB-CE2 4.09Å; K38-F40 HydrophobicContact CB-CZ 4.46Å; K38-F40 HydrophobicContact CD-CE1 4.33Å; K38-F40 HydrophobicContact CD-CE2 4.08Å; K38-F40 HydrophobicContact CD-CZ 3.6Å; K38-F40 HydrophobicContact CG-CE2 3.79Å; K38-F40 HydrophobicContact CG-CZ 3.78Å; K38-F40 WeakPolarHBondContact O-CD2 3.34Å; K38-F40 VanDerWaalsContact O-CE2 3.29Å; K38-F40 WeakPolarHBondContact O-CE2 3.15Å; K38-E52 IonicContact NZ-OE1 3.6Å; K38-E52 PolarHBondContact NZ-OE1 3.42Å; K38-E52 IonicContact NZ-OE2 3.49Å; K38-E52 PolarHBondContact NZ-OE2 3.06Å; K38-C79 CarbonylContact O-C 3.45Å; K38-C79 WeakPolarHBondContact O-CA 3.31Å; K38-C79 VanDerWaalsContact O-CB 3.22Å; K38-C79 WeakPolarHBondContact O-CB 3.45Å; K38-L80 HydrophobicContact CB-CB 4.44Å; K38-L80 PolarHBondContact N-O 2.86Å; K38-L80 PolarHBondContact O-N 2.91Å; K38-D154 IonicContact NZ-OD1 2.72Å; K38-D154 PolarHBondContact NZ-OD1 3.11Å
39Y83.9Confident82.1Confident15 Ų1557.6 Ų57.66%0.05927%0.274CS..EExtended strand (participates in β ladder)trans-92.6136.9178.6-72.6-83.3000111.7L13 G23 T24 Y26 V37 P77 C79L13-Y39 HydrophobicContact CD1-CE2 4.45Å; L13-Y39 HydrophobicContact CD2-CE2 4.1Å; G23-Y39 WeakPolarHBondContact CA-O 3.37Å; T24-Y39 PolarHBondContact O-N 3.31Å; Y26-Y39 AromaticContact CD2-CD2 3.49Å; Y26-Y39 HydrophobicContact CD2-CD2 3.49Å; Y26-Y39 VanDerWaalsContact CD2-CD2 3.49Å; Y26-Y39 AromaticContact CD2-CE2 3.63Å; Y26-Y39 HydrophobicContact CD2-CE2 3.63Å; Y26-Y39 AromaticContact CE2-CD2 3.65Å; Y26-Y39 HydrophobicContact CE2-CD2 3.65Å; Y26-Y39 HydrophobicContact CE2-CE2 4.01Å; Y26-Y39 HydrophobicContact CG-CE2 4.34Å; V37-Y39 HydrophobicContact CB-CE2 4.24Å; V37-Y39 HydrophobicContact CG1-CD2 4.04Å; V37-Y39 HydrophobicContact CG1-CE1 4.28Å; V37-Y39 HydrophobicContact CG1-CE2 3.52Å; Y39-P77 HydrophobicContact CD1-CB 3.92Å; Y39-P77 HydrophobicContact CD1-CG 4.03Å; Y39-P77 HydrophobicContact CE1-CG 4.17Å; Y39-C79 HydrophobicContact CD1-CB 3.59Å; Y39-C79 HydrophobicContact CE1-CB 3.81Å; Y39-C79 HydrophobicContact CG-CB 4.1Å
40F77.1Confident81.1Confident0 Ų059.1 Ų59.10%028%0.284CS..EExtended strand (participates in β ladder)trans-114.1109.4176.9-58.8-98.2000107.6Y22 K38 E45 K46 L49 T78 L80Y22-F40 WeakPolarHBondContact O-CD1 3.45Å; Y22-F40 WeakPolarHBondContact O-CE1 3Å; K38-F40 HydrophobicContact CB-CE2 4.09Å; K38-F40 HydrophobicContact CB-CZ 4.46Å; K38-F40 HydrophobicContact CD-CE1 4.33Å; K38-F40 HydrophobicContact CD-CE2 4.08Å; K38-F40 HydrophobicContact CD-CZ 3.6Å; K38-F40 HydrophobicContact CG-CE2 3.79Å; K38-F40 HydrophobicContact CG-CZ 3.78Å; K38-F40 WeakPolarHBondContact O-CD2 3.34Å; K38-F40 VanDerWaalsContact O-CE2 3.29Å; K38-F40 WeakPolarHBondContact O-CE2 3.15Å; F40-E45 HydrophobicContact CB-CB 3.93Å; F40-E45 HydrophobicContact CD1-CB 3.91Å; F40-E45 WeakPolarHBondContact CD1-O 3.4Å; F40-E45 HydrophobicContact CG-CB 4.41Å; F40-K46 HydrophobicContact CB-CG 4.42Å; F40-L49 HydrophobicContact CD1-CB 3.89Å; F40-L49 HydrophobicContact CD2-CB 4.18Å; F40-L49 HydrophobicContact CD2-CD1 3.82Å; F40-L49 HydrophobicContact CD2-CD2 4.08Å; F40-L49 HydrophobicContact CD2-CG 4.24Å; F40-L49 HydrophobicContact CE1-CB 3.96Å; F40-L49 HydrophobicContact CE1-CD1 4.47Å; F40-L49 HydrophobicContact CE2-CB 4.32Å; F40-L49 HydrophobicContact CE2-CD1 3.49Å; F40-L49 VanDerWaalsContact CE2-CD1 3.49Å; F40-L49 HydrophobicContact CE2-CG 4.32Å; F40-L49 HydrophobicContact CG-CB 3.98Å; F40-L49 HydrophobicContact CG-CD1 4.47Å; F40-L49 HydrophobicContact CG-CD2 4.32Å; F40-L49 HydrophobicContact CG-CG 4.48Å; F40-L49 HydrophobicContact CZ-CB 4.17Å; F40-L49 HydrophobicContact CZ-CD1 3.81Å; F40-T78 PolarHBondContact N-O 3.5Å; F40-L80 HydrophobicContact CE2-CB 3.84Å; F40-L80 HydrophobicContact CZ-CB 4.47Å
41Q70.6Confident80.1Confident127 Ų12759.6 Ų59.659%0.59329%0.291SS*.  trans-97.6-39.9-172.8-64.5-177.2-900111.7E45Q41-E45 WeakPolarHBondContact CA-OE2 3.22Å; Q41-E45 PolarHBondContact N-OE2 2.95Å
42T69.2Low79.4Confident39 Ų3952.8 Ų52.824%0.23927%0.266CS..SBendtrans-88.7162.1-177.372.20000112.4E44 E45 K46T42-E44 VanDerWaalsContact C-N 3.29Å; T42-E44 PolarHBondContact O-N 2.93Å; T42-E45 PolarHBondContact N-OE2 2.88Å; T42-E45 PolarHBondContact O-N 3.17Å; T42-E45 VanDerWaalsContact OG1-CB 3.3Å; T42-E45 WeakPolarHBondContact OG1-CB 3.12Å; T42-E45 WeakPolarHBondContact OG1-CG 3.18Å; T42-E45 PolarHBondContact OG1-N 2.68Å; T42-E45 VanDerWaalsContact OG1-N 3.12Å; T42-E45 PolarHBondContact OG1-OE2 3.22Å; T42-K46 WeakPolarHBondContact O-CG 3.23Å; T42-K46 PolarHBondContact O-N 2.85Å
43Y67.4Low78.8Confident180 Ų18051 Ų5171%0.70624%0.241SC*.Hα-helixtrans-62.2-39.2176.2176.4-99.8000111.8K46 K47Y43-K46 WeakPolarHBondContact O-CB 3.42Å; Y43-K46 PolarHBondContact O-N 2.94Å; Y43-K46 VanDerWaalsContact O-N 3.17Å; Y43-K47 PolarHBondContact O-N 2.8Å; Y43-K47 VanDerWaalsContact O-N 3.08Å
44E66.1Low78.2Confident103 Ų10351.7 Ų51.748%0.48125%0.246SC..Hα-helixtrans-65.1-43.6178.4-75.558.4-147.900110.6T42 K46 K47 S48T42-E44 VanDerWaalsContact C-N 3.29Å; T42-E44 PolarHBondContact O-N 2.93Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.03Å; E44-K47 WeakPolarHBondContact O-CB 3.38Å; E44-K47 PolarHBondContact O-N 3.11Å; E44-K47 VanDerWaalsContact O-N 3.16Å; E44-S48 PolarHBondContact O-N 3.12Å
45E67.2Low77.6Confident28 Ų2850.7 Ų50.713%0.13124%0.239CC..Hα-helixtrans-61.3-40172.1-76.7170.5175.500111.1F40 Q41 T42 K47 S48 L49F40-E45 HydrophobicContact CB-CB 3.93Å; F40-E45 HydrophobicContact CD1-CB 3.91Å; F40-E45 WeakPolarHBondContact CD1-O 3.4Å; F40-E45 HydrophobicContact CG-CB 4.41Å; Q41-E45 WeakPolarHBondContact CA-OE2 3.22Å; Q41-E45 PolarHBondContact N-OE2 2.95Å; T42-E45 PolarHBondContact N-OE2 2.88Å; T42-E45 PolarHBondContact O-N 3.17Å; T42-E45 VanDerWaalsContact OG1-CB 3.3Å; T42-E45 WeakPolarHBondContact OG1-CB 3.12Å; T42-E45 WeakPolarHBondContact OG1-CG 3.18Å; T42-E45 PolarHBondContact OG1-N 2.68Å; T42-E45 VanDerWaalsContact OG1-N 3.12Å; T42-E45 PolarHBondContact OG1-OE2 3.22Å; E45-K47 VanDerWaalsContact C-N 3.25Å; E45-K47 PolarHBondContact O-N 2.74Å; E45-S48 PolarHBondContact O-N 3.39Å; E45-S48 PolarHBondContact O-OG 3.44Å; E45-L49 PolarHBondContact O-N 2.88Å
46K70Confident77.1Confident81 Ų8151 Ų5135%0.35224%0.241SC..Hα-helixtrans-65.1-27.8175.8-72.8176.4178.7-176.40112.9F40 T42 Y43 E44 L49 K50 T78F40-K46 HydrophobicContact CB-CG 4.42Å; T42-K46 WeakPolarHBondContact O-CG 3.23Å; T42-K46 PolarHBondContact O-N 2.85Å; Y43-K46 WeakPolarHBondContact O-CB 3.42Å; Y43-K46 PolarHBondContact O-N 2.94Å; Y43-K46 VanDerWaalsContact O-N 3.17Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.03Å; K46-L49 WeakPolarHBondContact O-CB 3.49Å; K46-K50 PolarHBondContact O-N 3.27Å; K46-T78 WeakPolarHBondContact CE-OG1 3.25Å
47K69.1Low76.8Confident116 Ų11652.1 Ų52.150%0.50425%0.248SC..Hα-helixtrans-70.2-43174.9-166-171.3177.6-157.70111.6Y43 E44 E45 L49 K50 D160Y43-K47 PolarHBondContact O-N 2.8Å; Y43-K47 VanDerWaalsContact O-N 3.08Å; E44-K47 WeakPolarHBondContact O-CB 3.38Å; E44-K47 PolarHBondContact O-N 3.11Å; E44-K47 VanDerWaalsContact O-N 3.16Å; E45-K47 VanDerWaalsContact C-N 3.25Å; E45-K47 PolarHBondContact O-N 2.74Å; K47-L49 VanDerWaalsContact C-N 3.32Å; K47-K50 PolarHBondContact O-N 3.26Å; K47-D160 WeakPolarHBondContact CE-OD2 3.41Å; K47-D160 IonicContact NZ-OD1 3.46Å; K47-D160 IonicContact NZ-OD2 2.7Å; K47-D160 PolarHBondContact NZ-OD2 3.22Å
48S68.2Low76.6Confident17 Ų1757 Ų5712%0.11927%0.267CS..Hα-helixtrans-68.1-33.3175.765.10000112E44 E45 K50 A51 E52E44-S48 PolarHBondContact O-N 3.12Å; E45-S48 PolarHBondContact O-N 3.39Å; E45-S48 PolarHBondContact O-OG 3.44Å; S48-K50 VanDerWaalsContact C-N 3.33Å; S48-K50 PolarHBondContact O-N 3.27Å; S48-A51 PolarHBondContact O-N 3.29Å; S48-E52 WeakPolarHBondContact O-CB 3.22Å; S48-E52 PolarHBondContact O-N 2.9Å
49L76.6Confident76.7Confident8 Ų857 Ų574%0.04227%0.268CS..Hα-helixtrans-54.5-45.9174.6171.963.7000112.4F40 E45 K46 K47 A51 E52 I53 T78 L80F40-L49 HydrophobicContact CD1-CB 3.89Å; F40-L49 HydrophobicContact CD2-CB 4.18Å; F40-L49 HydrophobicContact CD2-CD1 3.82Å; F40-L49 HydrophobicContact CD2-CD2 4.08Å; F40-L49 HydrophobicContact CD2-CG 4.24Å; F40-L49 HydrophobicContact CE1-CB 3.96Å; F40-L49 HydrophobicContact CE1-CD1 4.47Å; F40-L49 HydrophobicContact CE2-CB 4.32Å; F40-L49 HydrophobicContact CE2-CD1 3.49Å; F40-L49 VanDerWaalsContact CE2-CD1 3.49Å; F40-L49 HydrophobicContact CE2-CG 4.32Å; F40-L49 HydrophobicContact CG-CB 3.98Å; F40-L49 HydrophobicContact CG-CD1 4.47Å; F40-L49 HydrophobicContact CG-CD2 4.32Å; F40-L49 HydrophobicContact CG-CG 4.48Å; F40-L49 HydrophobicContact CZ-CB 4.17Å; F40-L49 HydrophobicContact CZ-CD1 3.81Å; E45-L49 PolarHBondContact O-N 2.88Å; K46-L49 WeakPolarHBondContact O-CB 3.49Å; K47-L49 VanDerWaalsContact C-N 3.32Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 2.75Å; L49-E52 PolarHBondContact O-N 3.22Å; L49-I53 HydrophobicContact CD1-CD1 3.58Å; L49-I53 HydrophobicContact CD1-CG1 3.74Å; L49-I53 HydrophobicContact CD2-CD1 4.23Å; L49-I53 HydrophobicContact CG-CD1 3.6Å; L49-I53 HydrophobicContact CG-CG1 4.2Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.15Å; L49-I53 PolarHBondContact O-N 3.24Å; L49-T78 HydrophobicContact CD2-CG2 3.2Å; L49-L80 HydrophobicContact CD1-CB 4.07Å; L49-L80 HydrophobicContact CD1-CD1 3.96Å
50K76Confident77.1Confident143 Ų14359.7 Ų59.762%0.62229%0.289SS*.Hα-helixtrans-60.7-44.8-179.4-176.1174.2179176.60111.6K46 K47 S48 E52 I53 D54K46-K50 PolarHBondContact O-N 3.27Å; K47-K50 PolarHBondContact O-N 3.26Å; S48-K50 VanDerWaalsContact C-N 3.33Å; S48-K50 PolarHBondContact O-N 3.27Å; K50-E52 VanDerWaalsContact C-N 3.34Å; K50-E52 PolarHBondContact O-N 3.37Å; K50-I53 PolarHBondContact O-N 3.38Å; K50-D54 WeakPolarHBondContact O-CB 3.35Å; K50-D54 VanDerWaalsContact O-CG 3.26Å; K50-D54 PolarHBondContact O-N 3.4Å
51A73.7Confident78.1Confident28 Ų2862 Ų6223%0.23130%0.3CS..Hα-helixtrans-62.6-42.5176.600000111.6S48 L49 D54 Q55S48-A51 PolarHBondContact O-N 3.29Å; L49-A51 VanDerWaalsContact C-N 3.33Å; L49-A51 PolarHBondContact O-N 2.75Å; A51-D54 PolarHBondContact O-N 2.92Å; A51-Q55 WeakPolarHBondContact O-CG 3.12Å; A51-Q55 PolarHBondContact O-N 3.47Å; A51-Q55 VanDerWaalsContact O-N 3.07Å
52E78.8Confident79.3Confident4 Ų461.2 Ų61.22%0.01930%0.296CS..Hα-helixtrans-64.1-41.6177.9-172.6161.2-159.400111.7K38 S48 L49 K50 Q55 L56 L80 F155K38-E52 IonicContact NZ-OE1 3.6Å; K38-E52 PolarHBondContact NZ-OE1 3.42Å; K38-E52 IonicContact NZ-OE2 3.49Å; K38-E52 PolarHBondContact NZ-OE2 3.06Å; S48-E52 WeakPolarHBondContact O-CB 3.22Å; S48-E52 PolarHBondContact O-N 2.9Å; L49-E52 PolarHBondContact O-N 3.22Å; K50-E52 VanDerWaalsContact C-N 3.34Å; K50-E52 PolarHBondContact O-N 3.37Å; E52-Q55 PolarHBondContact O-N 3.33Å; E52-L56 HydrophobicContact CG-CD1 3.79Å; E52-L56 HydrophobicContact CG-CG 4.47Å; E52-L56 VanDerWaalsContact O-CB 3.29Å; E52-L56 WeakPolarHBondContact O-CB 3.45Å; E52-L56 PolarHBondContact O-N 3.47Å; E52-L80 HydrophobicContact CG-CD1 4.31Å; E52-F155 HydrophobicContact CG-CB 4.34Å; E52-F155 PolarHBondContact OE1-N 3.41Å
53I82.8Confident80.7Confident27 Ų2759.3 Ų59.314%0.13828%0.284CS..Hα-helixtrans-63.2-49.6173.9-66.5164.6000111.1L49 K50 Q55 L56 S57 I70 L80L49-I53 HydrophobicContact CD1-CD1 3.58Å; L49-I53 HydrophobicContact CD1-CG1 3.74Å; L49-I53 HydrophobicContact CD2-CD1 4.23Å; L49-I53 HydrophobicContact CG-CD1 3.6Å; L49-I53 HydrophobicContact CG-CG1 4.2Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.15Å; L49-I53 PolarHBondContact O-N 3.24Å; K50-I53 PolarHBondContact O-N 3.38Å; I53-Q55 PolarHBondContact O-N 3.42Å; I53-L56 PolarHBondContact O-N 3.46Å; I53-S57 WeakPolarHBondContact O-CB 3.35Å; I53-S57 PolarHBondContact O-N 2.97Å; I53-S57 PolarHBondContact O-OG 3.07Å; I53-I70 HydrophobicContact CD1-CD1 4.09Å; I53-I70 HydrophobicContact CD1-CG2 3.65Å; I53-I70 HydrophobicContact CG1-CG2 3.72Å; I53-L80 HydrophobicContact CG1-CD1 3.86Å
54D81.2Confident82.1Confident87 Ų8750.9 Ų50.947%0.46525%0.252SS..Hα-helixtrans-59.9-32.5-177.3-75.6-16000111.3K50 A51 S57 R58K50-D54 WeakPolarHBondContact O-CB 3.35Å; K50-D54 VanDerWaalsContact O-CG 3.26Å; K50-D54 PolarHBondContact O-N 3.4Å; A51-D54 PolarHBondContact O-N 2.92Å; D54-S57 PolarHBondContact O-OG 3.45Å; D54-R58 VanDerWaalsContact O-CD 3.3Å; D54-R58 WeakPolarHBondContact O-CD 3.49Å; D54-R58 WeakPolarHBondContact O-CG 3.24Å
55Q82.8Confident83.4Confident30 Ų3046.4 Ų46.414%0.1423%0.231CC..Hα-helixtrans-80-56.4175.9-69.8-171.7-15.100112.6A51 E52 I53 S57 R58 V59 I131 F155 A158A51-Q55 WeakPolarHBondContact O-CG 3.12Å; A51-Q55 PolarHBondContact O-N 3.47Å; A51-Q55 VanDerWaalsContact O-N 3.07Å; E52-Q55 PolarHBondContact O-N 3.33Å; I53-Q55 PolarHBondContact O-N 3.42Å; Q55-S57 VanDerWaalsContact C-N 3.28Å; Q55-S57 PolarHBondContact O-N 3.15Å; Q55-R58 PolarHBondContact O-N 3.39Å; Q55-R58 VanDerWaalsContact O-N 3.12Å; Q55-V59 WeakPolarHBondContact O-CG2 3.47Å; Q55-I131 HydrophobicContact CB-CD1 4.12Å; Q55-I131 HydrophobicContact CG-CD1 4.23Å; Q55-F155 PolarHBondContact OE1-O 3.45Å; Q55-A158 VanDerWaalsContact CD-CB 3.47Å
56L85.5Confident84.6Confident5 Ų551.2 Ų51.23%0.02625%0.248CC..Hα-helixtrans-63.8-31.6-175.6-79.9175000113.1E52 I53 R58 V59 V65 L67 L80 F155E52-L56 HydrophobicContact CG-CD1 3.79Å; E52-L56 HydrophobicContact CG-CG 4.47Å; E52-L56 VanDerWaalsContact O-CB 3.29Å; E52-L56 WeakPolarHBondContact O-CB 3.45Å; E52-L56 PolarHBondContact O-N 3.47Å; I53-L56 PolarHBondContact O-N 3.46Å; L56-R58 PolarHBondContact O-N 2.81Å; L56-V59 PolarHBondContact O-N 3.39Å; L56-V65 HydrophobicContact CD2-CG1 4.07Å; L56-L67 HydrophobicContact CB-CB 4.16Å; L56-L67 HydrophobicContact CB-CD2 4.01Å; L56-L80 HydrophobicContact CD1-CD1 4.33Å; L56-L80 HydrophobicContact CD1-CD2 3.92Å; L56-F155 HydrophobicContact CD1-CD2 4.28Å; L56-F155 HydrophobicContact CD2-CD2 3.36Å; L56-F155 HydrophobicContact CD2-CE2 3.38Å; L56-F155 HydrophobicContact CD2-CG 4.24Å; L56-F155 HydrophobicContact CD2-CZ 4.25Å; L56-F155 HydrophobicContact CG-CD2 3.78Å; L56-F155 HydrophobicContact CG-CE2 4.3Å; L56-F155 HydrophobicContact CG-CG 4.34Å
57S87.5Confident85.7Confident36 Ų3648.5 Ų48.525%0.25224%0.237SC..THydrogen-bonded Turntrans-66-21.9177.762.20000113.8I53 D54 Q55I53-S57 WeakPolarHBondContact O-CB 3.35Å; I53-S57 PolarHBondContact O-N 2.97Å; I53-S57 PolarHBondContact O-OG 3.07Å; D54-S57 PolarHBondContact O-OG 3.45Å; Q55-S57 VanDerWaalsContact C-N 3.28Å; Q55-S57 PolarHBondContact O-N 3.15Å
58R87.1Confident86.8Confident104 Ų10444.9 Ų44.939%0.39222%0.222SC..THydrogen-bonded Turntrans-91.4-12.1178.2-65.8172.459.8-147.2-5.5113D54 Q55 L56 M126 E127 K129D54-R58 VanDerWaalsContact O-CD 3.3Å; D54-R58 WeakPolarHBondContact O-CD 3.49Å; D54-R58 WeakPolarHBondContact O-CG 3.24Å; Q55-R58 PolarHBondContact O-N 3.39Å; Q55-R58 VanDerWaalsContact O-N 3.12Å; L56-R58 PolarHBondContact O-N 2.81Å; R58-M126 HydrophobicContact CB-CE 3.72Å; R58-M126 WeakPolarHBondContact O-CE 3.29Å; R58-E127 PolarHBondContact NH2-O 2.72Å; R58-K129 PolarHBondContact NH2-O 2.94Å
59V90.3Very high88Confident19 Ų1944 Ų4412%0.11522%0.216CC..  trans-99.5135.3-169.5171.90000110.9Q55 L56 I64 Y122 L123 M126 I131Q55-V59 WeakPolarHBondContact O-CG2 3.47Å; L56-V59 PolarHBondContact O-N 3.39Å; V59-I64 HydrophobicContact CG1-CB 3.91Å; V59-I64 HydrophobicContact CG1-CD1 3.48Å; V59-I64 VanDerWaalsContact CG1-CD1 3.48Å; V59-I64 HydrophobicContact CG1-CG1 4.28Å; V59-I64 HydrophobicContact CG1-CG2 3.57Å; V59-Y122 HydrophobicContact CB-CE1 4.39Å; V59-Y122 HydrophobicContact CG1-CD1 4.45Å; V59-Y122 HydrophobicContact CG1-CE1 3.81Å; V59-Y122 HydrophobicContact CG2-CE1 4.42Å; V59-L123 HydrophobicContact CG1-CD2 4.36Å; V59-L123 HydrophobicContact CG2-CD2 3.71Å; V59-M126 HydrophobicContact CG2-CE 4.07Å; V59-M126 HydrophobicContact CG2-SD 3.71Å; V59-I131 HydrophobicContact CG2-CD1 3.87Å
60S93.1Very high88.7Confident71 Ų7144.7 Ų44.750%0.49722%0.22SC..  trans-148.195.7172.5177.10000109.9M1 Y122M1-S60 WeakPolarHBondContact CE-OG 3.05Å; S60-Y122 PolarHBondContact N-OH 2.85Å; S60-Y122 VanDerWaalsContact N-OH 3.11Å
61H96.4Very high89.3Confident49 Ų4938 Ų3823%0.22719%0.191CC..  trans-146.1148.9-178.8-173.1-96.3000110.9N63 I64 Y122H61-N63 VanDerWaalsContact C-N 3.27Å; H61-N63 PolarHBondContact CE1-OD1 3.26Å; H61-N63 PolarHBondContact ND1-N 3.21Å; H61-N63 PolarHBondContact O-N 3.22Å; H61-I64 HydrophobicContact CB-CB 4.3Å; H61-I64 HydrophobicContact CB-CD1 3.87Å; H61-I64 HydrophobicContact CB-CG1 4.04Å; H61-I64 PolarHBondContact O-N 3.16Å; H61-Y122 HydrophobicContact CB-CD1 3.91Å; H61-Y122 HydrophobicContact CB-CD2 4.32Å; H61-Y122 HydrophobicContact CB-CE1 4.15Å; H61-Y122 HydrophobicContact CB-CG 4Å; H61-Y122 AromaticContact CD2-CD2 3.85Å; H61-Y122 AromaticContact CD2-CG 3.81Å
62E97.1Very high89.5Confident110 Ų11041 Ų4151%0.51421%0.206SC..THydrogen-bonded Turntrans-61-36.8-177.364.4175.9148.800112.8I64 K151E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 2.97Å; E62-K151 PolarHBondContact O-NZ 2.72Å
63N97.9Very high89.2Confident0 Ų044.3 Ų44.30%022%0.224CC..THydrogen-bonded Turntrans-92.920.1-179.5-54.6121.6000114.2H61 Q115 L150 K151 I152H61-N63 VanDerWaalsContact C-N 3.27Å; H61-N63 PolarHBondContact CE1-OD1 3.26Å; H61-N63 PolarHBondContact ND1-N 3.21Å; H61-N63 PolarHBondContact O-N 3.22Å; N63-Q115 VanDerWaalsContact CB-O 3.25Å; N63-Q115 WeakPolarHBondContact CB-O 3.48Å; N63-Q115 WeakPolarHBondContact ND2-CB 3.48Å; N63-Q115 WeakPolarHBondContact ND2-CG 3.41Å; N63-Q115 PolarHBondContact ND2-OE1 3.46Å; N63-Q115 VanDerWaalsContact ND2-OE1 3.07Å; N63-Q115 PolarHBondContact OD1-O 3.07Å; N63-L150 VanDerWaalsContact CA-O 3.26Å; N63-L150 WeakPolarHBondContact CA-O 3.42Å; N63-L150 WeakPolarHBondContact CB-O 3.46Å; N63-L150 PolarHBondContact ND2-O 3.25Å; N63-K151 WeakPolarHBondContact O-CA 3.5Å; N63-I152 WeakPolarHBondContact O-CG1 3.35Å; N63-I152 PolarHBondContact O-N 3.49Å
64I96.3Very high88.2Confident3 Ų352 Ų522%0.01526%0.259CS..BIsolated β-bridgetrans-129141.8173.7-57.8174.4000108.6V59 H61 E62 R66 Y122 L123 I152 F155V59-I64 HydrophobicContact CG1-CB 3.91Å; V59-I64 HydrophobicContact CG1-CD1 3.48Å; V59-I64 VanDerWaalsContact CG1-CD1 3.48Å; V59-I64 HydrophobicContact CG1-CG1 4.28Å; V59-I64 HydrophobicContact CG1-CG2 3.57Å; H61-I64 HydrophobicContact CB-CB 4.3Å; H61-I64 HydrophobicContact CB-CD1 3.87Å; H61-I64 HydrophobicContact CB-CG1 4.04Å; H61-I64 PolarHBondContact O-N 3.16Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 2.97Å; I64-R66 PolarHBondContact O-N 3.45Å; I64-Y122 HydrophobicContact CD1-CD1 3.75Å; I64-Y122 HydrophobicContact CD1-CE1 4.31Å; I64-L123 HydrophobicContact CD1-CD1 4.09Å; I64-L123 HydrophobicContact CD1-CD2 3.75Å; I64-L123 HydrophobicContact CD1-CG 3.7Å; I64-I152 HydrophobicContact CG1-CB 4.47Å; I64-I152 HydrophobicContact CG1-CD1 4.47Å; I64-F155 HydrophobicContact CG2-CE2 3.78Å; I64-F155 HydrophobicContact CG2-CZ 3.51Å
65V94.2Very high87.5Confident8 Ų859.3 Ų59.35%0.04828%0.28CS..PPolyproline II helixtrans-60.4129.617976.30000110.7L56 T82 E83 I152 C153L56-V65 HydrophobicContact CD2-CG1 4.07Å; V65-T82 HydrophobicContact CG1-CG2 4.43Å; V65-T82 HydrophobicContact CG2-CG2 4.41Å; V65-E83 WeakPolarHBondContact CA-OE1 3.14Å; V65-E83 HydrophobicContact CG2-CG 3.54Å; V65-I152 WeakPolarHBondContact CB-O 3.43Å; V65-I152 PolarHBondContact N-O 3.06Å; V65-C153 HydrophobicContact CB-CB 4.24Å; V65-C153 HydrophobicContact CG1-CB 3.96Å
66R92.6Very high86.7Confident130 Ų13058.5 Ų58.549%0.49128%0.28SS..PPolyproline II helixtrans-77.5128.5177.6-174.7176.5-178.2132.50.3110.4M1 I64 T82 E83M1-R66 PolarHBondContact SD-NH2 3.08Å; I64-R66 PolarHBondContact O-N 3.45Å; R66-T82 CarbonylContact O-C 3.41Å; R66-T82 VanDerWaalsContact O-CA 3.23Å; R66-T82 WeakPolarHBondContact O-CA 3.31Å; R66-T82 WeakPolarHBondContact O-CB 3.48Å; R66-E83 HydrophobicContact CB-CB 4.37Å; R66-E83 HydrophobicContact CB-CG 4.21Å; R66-E83 PolarHBondContact N-OE1 2.93Å; R66-E83 PolarHBondContact O-N 3.02Å
67L92.4Very high85.9Confident24 Ų2460.5 Ų60.513%0.12629%0.293CS..EExtended strand (participates in β ladder)trans-78.5122.8165.7-176.964.3000109.8C3 L56 G69 L80 T82C3-L67 HydrophobicContact CB-CD2 4.17Å; L56-L67 HydrophobicContact CB-CB 4.16Å; L56-L67 HydrophobicContact CB-CD2 4.01Å; L67-G69 WeakPolarHBondContact CD1-O 3.41Å; L67-L80 HydrophobicContact CD1-CD1 3.72Å; L67-L80 HydrophobicContact CD1-CD2 4.28Å; L67-L80 HydrophobicContact CD1-CG 3.69Å; L67-T82 HydrophobicContact CD1-CG2 4.18Å
68H92.7Very high85.7Confident39 Ų3959.5 Ų59.518%0.18129%0.286CS..EExtended strand (participates in β ladder)trans-87.9-45.4170.8-69.8-57.5000110.8W30 V81 T82 E83W30-H68 HydrophobicContact CE3-CB 4.27Å; W30-H68 HydrophobicContact CZ3-CB 3.83Å; H68-V81 HydrophobicContact CB-CG1 4.25Å; H68-V81 WeakPolarHBondContact CB-O 3.3Å; H68-V81 PolarHBondContact N-O 3.12Å; H68-T82 VanDerWaalsContact CD2-C 3.43Å; H68-E83 PolarHBondContact CD2-N 3.25Å
69G92.2Very high85.8Confident0 Ų054.6 Ų54.60%027%0.267CS..EExtended strand (participates in β ladder)trans179.2-170.2-178.500000113.8E4 L67 V81E4-G69 CarbonylContact O-C 3.54Å; E4-G69 WeakPolarHBondContact O-CA 3.45Å; L67-G69 WeakPolarHBondContact CD1-O 3.41Å; G69-V81 PolarHBondContact N-O 2.8Å; G69-V81 VanDerWaalsContact N-O 3.16Å; G69-V81 PolarHBondContact O-N 2.87Å
70I91.5Very high85.8Confident22 Ų2253.9 Ų53.911%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-132.1146.1177.357.8175.6000109.9E4 V5 I6 I53 V72 C79 L80E4-I70 PolarHBondContact O-N 3.32Å; V5-I70 CarbonylContact C-O 3.53Å; V5-I70 WeakPolarHBondContact CA-O 3.34Å; I6-I70 PolarHBondContact N-O 3Å; I53-I70 HydrophobicContact CD1-CD1 4.09Å; I53-I70 HydrophobicContact CD1-CG2 3.65Å; I53-I70 HydrophobicContact CG1-CG2 3.72Å; I70-V72 HydrophobicContact CD1-CG2 3.72Å; I70-V72 HydrophobicContact CG1-CG2 4.07Å; I70-C79 CarbonylContact C-O 3.53Å; I70-C79 VanDerWaalsContact CA-O 3.27Å; I70-C79 WeakPolarHBondContact CA-O 3.35Å; I70-L80 HydrophobicContact CG2-CD1 4.43Å
71C88.4Confident85.7Confident3 Ų350.5 Ų50.52%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-103.1123.6163.9-56.90000108.5I6 Q8 L11 T78 C79I6-C71 PolarHBondContact O-SG 3.19Å; Q8-C71 HydrophobicContact CB-CB 4.5Å; L11-C71 VanDerWaalsContact CD1-SG 3.59Å; C71-T78 WeakPolarHBondContact O-CA 3.32Å; C71-T78 WeakPolarHBondContact O-CG2 3.18Å; C71-C79 WeakPolarHBondContact CB-SG 2.95Å; C71-C79 PolarHBondContact N-O 3.07Å; C71-C79 PolarHBondContact O-N 3.33Å; C71-C79 PolarHBondContact SG-SG 2.83Å
72V78.9Confident85.6Confident90 Ų9048.9 Ų48.955%0.54523%0.233SC..  trans-117.4116175.2-169.30000107.8I70 T78I70-V72 HydrophobicContact CD1-CG2 3.72Å; I70-V72 HydrophobicContact CG1-CG2 4.07Å; V72-T78 HydrophobicContact CG2-CG2 4.3Å
73D71.4Confident85.4Confident73 Ų7345.5 Ų45.539%0.3922%0.217SC..  trans-124124.4170.2-175.2-16.5000107.5R75 G76D73-R75 PolarHBondContact O-N 2.84Å; D73-R75 PolarHBondContact OD1-N 2.84Å; D73-G76 VanDerWaalsContact CG-N 3.31Å; D73-G76 PolarHBondContact O-N 3.38Å; D73-G76 PolarHBondContact OD1-N 2.78Å
74E63.6Low85.2Confident190 Ų19047.3 Ų47.389%0.88822%0.224SC*.SBendtrans-60.4-28.8178.9-66.5-175.217300112.2
75R65.1Low85Confident240 Ų24047.6 Ų47.691%0.90623%0.226SC*.SBendtrans-110.2-1.1-179.4-55.9-175-166.5-165.32.8112.9D73D73-R75 PolarHBondContact O-N 2.84Å; D73-R75 PolarHBondContact OD1-N 2.84Å
76G66.1Low84.8Confident13 Ų1351 Ų5113%0.13424%0.242CC..SBendtrans-120.8177.5-172.300000113.8D73D73-G76 VanDerWaalsContact CG-N 3.31Å; D73-G76 PolarHBondContact O-N 3.38Å; D73-G76 PolarHBondContact OD1-N 2.78Å
77P69.1Low84.7Confident47 Ų4745 Ų4531%0.30522%0.22SC..  trans-72.8131.1176.731.9-33.7000109.7Y39Y39-P77 HydrophobicContact CD1-CB 3.92Å; Y39-P77 HydrophobicContact CD1-CG 4.03Å; Y39-P77 HydrophobicContact CE1-CG 4.17Å
78T84.1Confident84.5Confident15 Ų1544.8 Ų44.89%0.09222%0.223CC..EExtended strand (participates in β ladder)trans-80.1139.3173.8-40.60000108.5F40 K46 L49 C71 V72F40-T78 PolarHBondContact N-O 3.5Å; K46-T78 WeakPolarHBondContact CE-OG1 3.25Å; L49-T78 HydrophobicContact CD2-CG2 3.2Å; C71-T78 WeakPolarHBondContact O-CA 3.32Å; C71-T78 WeakPolarHBondContact O-CG2 3.18Å; V72-T78 HydrophobicContact CG2-CG2 4.3Å
79C88.2Confident84.3Confident0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-137.6152.7177.876.60000113.9V37 K38 Y39 I70 C71V37-C79 HydrophobicContact CG1-CB 3.73Å; V37-C79 VanDerWaalsContact CG1-SG 3.54Å; K38-C79 CarbonylContact O-C 3.45Å; K38-C79 WeakPolarHBondContact O-CA 3.31Å; K38-C79 VanDerWaalsContact O-CB 3.22Å; K38-C79 WeakPolarHBondContact O-CB 3.45Å; Y39-C79 HydrophobicContact CD1-CB 3.59Å; Y39-C79 HydrophobicContact CE1-CB 3.81Å; Y39-C79 HydrophobicContact CG-CB 4.1Å; I70-C79 CarbonylContact C-O 3.53Å; I70-C79 VanDerWaalsContact CA-O 3.27Å; I70-C79 WeakPolarHBondContact CA-O 3.35Å; C71-C79 WeakPolarHBondContact CB-SG 2.95Å; C71-C79 PolarHBondContact N-O 3.07Å; C71-C79 PolarHBondContact O-N 3.33Å; C71-C79 PolarHBondContact SG-SG 2.83Å
80L89.5Confident84.3Confident4 Ų443.5 Ų43.52%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-103.8129174.2-172112000108.3V37 K38 F40 L49 E52 I53 L56 L67 I70 T82V37-L80 WeakPolarHBondContact CA-O 3.41Å; K38-L80 HydrophobicContact CB-CB 4.44Å; K38-L80 PolarHBondContact N-O 2.86Å; K38-L80 PolarHBondContact O-N 2.91Å; F40-L80 HydrophobicContact CE2-CB 3.84Å; F40-L80 HydrophobicContact CZ-CB 4.47Å; L49-L80 HydrophobicContact CD1-CB 4.07Å; L49-L80 HydrophobicContact CD1-CD1 3.96Å; E52-L80 HydrophobicContact CG-CD1 4.31Å; I53-L80 HydrophobicContact CG1-CD1 3.86Å; L56-L80 HydrophobicContact CD1-CD1 4.33Å; L56-L80 HydrophobicContact CD1-CD2 3.92Å; L67-L80 HydrophobicContact CD1-CD1 3.72Å; L67-L80 HydrophobicContact CD1-CD2 4.28Å; L67-L80 HydrophobicContact CD1-CG 3.69Å; I70-L80 HydrophobicContact CG2-CD1 4.43Å; L80-T82 HydrophobicContact CD2-CG2 3.44Å; L80-T82 VanDerWaalsContact CD2-CG2 3.44Å; L80-T82 HydrophobicContact CG-CG2 4.26Å
81V92.4Very high84.2Confident0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-112.2113.3-178-172.70000109.4I6 L11 V35 A36 V37 H68 G69I6-V81 HydrophobicContact CD1-CB 3.79Å; I6-V81 HydrophobicContact CD1-CG1 3.98Å; I6-V81 HydrophobicContact CD1-CG2 3.86Å; L11-V81 HydrophobicContact CD1-CG2 4.13Å; L11-V81 HydrophobicContact CD2-CG1 4.4Å; L11-V81 HydrophobicContact CD2-CG2 4.34Å; V35-V81 HydrophobicContact CB-CG1 3.72Å; V35-V81 HydrophobicContact CG1-CG1 4.03Å; V35-V81 HydrophobicContact CG2-CG1 3.76Å; A36-V81 WeakPolarHBondContact O-CA 3.49Å; V37-V81 HydrophobicContact CG2-CG2 4.47Å; H68-V81 HydrophobicContact CB-CG1 4.25Å; H68-V81 WeakPolarHBondContact CB-O 3.3Å; H68-V81 PolarHBondContact N-O 3.12Å; G69-V81 PolarHBondContact N-O 2.8Å; G69-V81 VanDerWaalsContact N-O 3.16Å; G69-V81 PolarHBondContact O-N 2.87Å
82T93.1Very high83.9Confident16 Ų1647.6 Ų47.610%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-121.8168.3-177.953.70000111.8V35 A36 V65 R66 L67 H68 L80V35-T82 CarbonylContact C-O 3.56Å; V35-T82 WeakPolarHBondContact CA-O 3.42Å; V35-T82 WeakPolarHBondContact CB-O 3.42Å; A36-T82 PolarHBondContact N-O 2.85Å; A36-T82 PolarHBondContact O-N 2.77Å; V65-T82 HydrophobicContact CG1-CG2 4.43Å; V65-T82 HydrophobicContact CG2-CG2 4.41Å; R66-T82 CarbonylContact O-C 3.41Å; R66-T82 VanDerWaalsContact O-CA 3.23Å; R66-T82 WeakPolarHBondContact O-CA 3.31Å; R66-T82 WeakPolarHBondContact O-CB 3.48Å; L67-T82 HydrophobicContact CD1-CG2 4.18Å; H68-T82 VanDerWaalsContact CD2-C 3.43Å; L80-T82 HydrophobicContact CD2-CG2 3.44Å; L80-T82 VanDerWaalsContact CD2-CG2 3.44Å; L80-T82 HydrophobicContact CG-CG2 4.26Å
83E92.9Very high84.2Confident39 Ų3943.8 Ų43.818%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-58.9139.6171.369.2-174.8144.300110.7V65 R66 H68 K151V65-E83 WeakPolarHBondContact CA-OE1 3.14Å; V65-E83 HydrophobicContact CG2-CG 3.54Å; R66-E83 HydrophobicContact CB-CB 4.37Å; R66-E83 HydrophobicContact CB-CG 4.21Å; R66-E83 PolarHBondContact N-OE1 2.93Å; R66-E83 PolarHBondContact O-N 3.02Å; H68-E83 PolarHBondContact CD2-N 3.25Å; E83-K151 VanDerWaalsContact CD-NZ 3.3Å; E83-K151 HydrophobicContact CG-CD 4.47Å; E83-K151 WeakPolarHBondContact OE1-CD 3.39Å; E83-K151 WeakPolarHBondContact OE1-CE 3.46Å; E83-K151 IonicContact OE1-NZ 3.19Å; E83-K151 PolarHBondContact OE1-NZ 3.45Å; E83-K151 WeakPolarHBondContact OE2-CE 3.35Å; E83-K151 IonicContact OE2-NZ 3.43Å; E83-K151 PolarHBondContact OE2-NZ 2.99Å
84Y94.5Very high84.9Confident38 Ų3840.7 Ų40.715%0.14919%0.192CC..  trans-84.3127175.6-178.1-113.1000110.6V17 R27 D34 A36 E86V17-Y84 HydrophobicContact CG2-CE2 3.95Å; R27-Y84 HydrophobicContact CB-CD2 4.26Å; R27-Y84 HydrophobicContact CB-CE2 3.89Å; R27-Y84 HydrophobicContact CG-CD1 4.28Å; R27-Y84 HydrophobicContact CG-CD2 4.02Å; R27-Y84 HydrophobicContact CG-CE1 4.09Å; R27-Y84 HydrophobicContact CG-CE2 3.86Å; R27-Y84 HydrophobicContact CG-CG 4.24Å; D34-Y84 HydrophobicContact CB-CD1 4.26Å; A36-Y84 HydrophobicContact CB-CD2 4.31Å; Y84-E86 HydrophobicContact CD1-CB 4.48Å; Y84-E86 HydrophobicContact CE1-CB 4.23Å
85A92.8Very high85.8Confident8 Ų832 Ų327%0.06615%0.152CC..  trans-95.5106.9174.300000110.7C87 G88 L142 C144A85-C87 VanDerWaalsContact C-N 3.27Å; A85-C87 PolarHBondContact O-N 3.46Å; A85-G88 PolarHBondContact O-N 2.94Å; A85-L142 HydrophobicContact CB-CB 3.55Å; A85-L142 HydrophobicContact CB-CD1 3.81Å; A85-L142 HydrophobicContact CB-CG 4.19Å; A85-C144 VanDerWaalsContact CA-SG 3.6Å; A85-C144 WeakPolarHBondContact CB-SG 3.23Å
86E89.8Confident86.4Confident81 Ų8128.4 Ų28.438%0.37914%0.139SC..THydrogen-bonded Turntrans-69.9-20.5-167.374.2-77.9-171.300114.3Y84 R145Y84-E86 HydrophobicContact CD1-CB 4.48Å; Y84-E86 HydrophobicContact CE1-CB 4.23Å; E86-R145 WeakPolarHBondContact OE1-CA 3.31Å; E86-R145 PolarHBondContact OE1-N 2.9Å
87C89.5Confident86.8Confident4 Ų431 Ų313%0.02715%0.149CC..THydrogen-bonded Turntrans-91.1-6.4179.3-50.20000112.5A85 R93 L143 F300A85-C87 VanDerWaalsContact C-N 3.27Å; A85-C87 PolarHBondContact O-N 3.46Å; C87-R93 PolarHBondContact O-NE 2.89Å; C87-R93 PolarHBondContact O-NH2 3.4Å; C87-L143 HydrophobicContact CB-CB 3.59Å; C87-L143 WeakPolarHBondContact CB-O 3.42Å; C87-L143 PolarHBondContact N-O 3.4Å; C87-L143 VanDerWaalsContact N-O 3.12Å; C87-F300 HydrophobicContact CB-CD1 4.4Å; C87-F300 HydrophobicContact CB-CD2 4.32Å; C87-F300 HydrophobicContact CB-CE1 3.95Å; C87-F300 HydrophobicContact CB-CE2 3.95Å; C87-F300 HydrophobicContact CB-CZ 3.73Å; C87-F300 VanDerWaalsContact SG-CE2 3.54Å
88G88.6Confident86.9Confident18 Ų1829.5 Ų29.519%0.18614%0.141CC..EExtended strand (participates in β ladder)trans77.1-167-177.400000113.4A85 L142 L143A85-G88 PolarHBondContact O-N 2.94Å; G88-L142 WeakPolarHBondContact O-CA 3.47Å; G88-L143 PolarHBondContact O-N 3.41Å
89C89.7Confident86.3Confident12 Ų1235.7 Ų35.78%0.08117%0.172CC..EExtended strand (participates in β ladder)trans-81.7153.7-179.5770000112.9Y91 Y92 R93 P139 L141 L142C89-Y91 VanDerWaalsContact C-N 3.29Å; C89-Y91 PolarHBondContact O-N 3.17Å; C89-Y92 PolarHBondContact O-N 3.4Å; C89-Y92 WeakPolarHBondContact SG-CD2 3.35Å; C89-R93 WeakPolarHBondContact O-CG 3.26Å; C89-R93 PolarHBondContact O-N 2.9Å; C89-P139 WeakPolarHBondContact CB-O 3.2Å; C89-L141 CarbonylContact C-O 3.54Å; C89-L141 WeakPolarHBondContact CA-O 3.39Å; C89-L142 HydrophobicContact CB-CD2 3.91Å
90L92Very high85.7Confident0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-60.8-39.8-175.7-172.858000111Y92 R93 T94 W112 T138 L141 L143 L150 L220L90-Y92 PolarHBondContact O-N 3.44Å; L90-R93 CarbonylContact O-C 3.35Å; L90-R93 WeakPolarHBondContact O-CA 3.44Å; L90-R93 PolarHBondContact O-N 3.48Å; L90-T94 HydrophobicContact CD1-CG2 3.6Å; L90-T94 HydrophobicContact CG-CG2 4.17Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 3.47Å; L90-W112 HydrophobicContact CD1-CD2 3.84Å; L90-W112 HydrophobicContact CD1-CE3 3.65Å; L90-W112 HydrophobicContact CD1-CG 4.44Å; L90-W112 HydrophobicContact CD1-CH2 4.16Å; L90-W112 HydrophobicContact CD1-CZ2 4.33Å; L90-W112 HydrophobicContact CD1-CZ3 3.83Å; L90-W112 HydrophobicContact CD2-CB 4.49Å; L90-T138 HydrophobicContact CD2-CG2 4.11Å; L90-T138 HydrophobicContact CG-CG2 4.31Å; L90-T138 PolarHBondContact N-O 3.07Å; L90-L141 HydrophobicContact CB-CB 4.06Å; L90-L141 WeakPolarHBondContact CB-O 3.49Å; L90-L141 HydrophobicContact CD2-CB 4.25Å; L90-L141 HydrophobicContact CD2-CD1 4.02Å; L90-L141 PolarHBondContact N-O 2.87Å; L90-L143 HydrophobicContact CD1-CD1 3.79Å; L90-L143 HydrophobicContact CD1-CD2 4.18Å; L90-L143 HydrophobicContact CD1-CG 4.13Å; L90-L150 HydrophobicContact CD2-CD1 3.9Å; L90-L220 HydrophobicContact CD1-CD2 4.23Å; L90-L220 HydrophobicContact CD2-CD1 4.14Å; L90-L220 HydrophobicContact CD2-CD2 3.81Å; L90-L220 HydrophobicContact CG-CD2 4Å
91Y88.2Confident85.2Confident39 Ų3941.2 Ų41.215%0.15321%0.21CC..Hα-helixtrans-53.8-52.1178.4-179.1-96.3000112.7C89 R93 T94 S95 T138 P139C89-Y91 VanDerWaalsContact C-N 3.29Å; C89-Y91 PolarHBondContact O-N 3.17Å; Y91-R93 PolarHBondContact O-N 3.46Å; Y91-R93 VanDerWaalsContact O-N 3.16Å; Y91-T94 PolarHBondContact O-N 3.4Å; Y91-S95 WeakPolarHBondContact O-CB 3.25Å; Y91-S95 PolarHBondContact O-N 2.95Å; Y91-T138 PolarHBondContact N-O 2.96Å; Y91-P139 HydrophobicContact CD2-CG 4.37Å; Y91-P139 HydrophobicContact CG-CG 4.06Å
92Y81.9Confident85Confident73 Ų7342 Ų4229%0.28621%0.214SC..Hα-helixtrans-67-16.5179.1-69-54000113.4C89 L90 S98 P310C89-Y92 PolarHBondContact O-N 3.4Å; C89-Y92 WeakPolarHBondContact SG-CD2 3.35Å; L90-Y92 PolarHBondContact O-N 3.44Å; Y92-S98 WeakPolarHBondContact O-CB 3.38Å; Y92-S98 PolarHBondContact O-OG 3.31Å; Y92-P310 VanDerWaalsContact OH-CA 3.25Å; Y92-P310 WeakPolarHBondContact OH-CA 3.42Å
93R84.8Confident84.7Confident9 Ų948.4 Ų48.43%0.03424%0.243CC..Hα-helixtrans-94.2-25.5179.6-64.1-50.8-170.1176.14.3112.8C87 C89 L90 Y91 P101 V102 L143 F300 P304C87-R93 PolarHBondContact O-NE 2.89Å; C87-R93 PolarHBondContact O-NH2 3.4Å; C89-R93 WeakPolarHBondContact O-CG 3.26Å; C89-R93 PolarHBondContact O-N 2.9Å; L90-R93 CarbonylContact O-C 3.35Å; L90-R93 WeakPolarHBondContact O-CA 3.44Å; L90-R93 PolarHBondContact O-N 3.48Å; Y91-R93 PolarHBondContact O-N 3.46Å; Y91-R93 VanDerWaalsContact O-N 3.16Å; R93-P101 WeakPolarHBondContact O-CA 3.42Å; R93-V102 HydrophobicContact CB-CG1 3.79Å; R93-V102 HydrophobicContact CG-CG1 4.24Å; R93-V102 PolarHBondContact O-N 3.32Å; R93-L143 HydrophobicContact CB-CD1 4.27Å; R93-L143 HydrophobicContact CG-CD1 4.38Å; R93-F300 HydrophobicContact CB-CE1 4.39Å; R93-F300 HydrophobicContact CG-CD1 4.47Å; R93-F300 HydrophobicContact CG-CE1 3.81Å; R93-F300 VanDerWaalsContact CZ-CD1 3.48Å; R93-P304 VanDerWaalsContact NH2-CD 3.33Å
94T86.9Confident84.7Confident9 Ų947.1 Ų47.16%0.05524%0.236CC..Hα-helixtrans-114.2-18.7-174.761.10000114.2L90 Y91 Y104 W112 L220L90-T94 HydrophobicContact CD1-CG2 3.6Å; L90-T94 HydrophobicContact CG-CG2 4.17Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 3.47Å; Y91-T94 PolarHBondContact O-N 3.4Å; T94-Y104 HydrophobicContact CG2-CD1 4.06Å; T94-Y104 HydrophobicContact CG2-CE1 3.56Å; T94-W112 HydrophobicContact CG2-CH2 4.13Å; T94-W112 HydrophobicContact CG2-CZ3 3.69Å; T94-L220 HydrophobicContact CG2-CD2 4.01Å
95S82.6Confident84.6Confident6 Ų648.5 Ų48.54%0.04225%0.249CC..  trans-71.1136.1-179.6-179.10000111.2Y91 N97 S98Y91-S95 WeakPolarHBondContact O-CB 3.25Å; Y91-S95 PolarHBondContact O-N 2.95Å; S95-N97 PolarHBondContact O-N 2.96Å; S95-N97 PolarHBondContact OG-N 3.44Å; S95-S98 WeakPolarHBondContact O-CB 3.36Å; S95-S98 PolarHBondContact O-N 3.2Å
96R78.5Confident84.5Confident165 Ų16554 Ų5462%0.62327%0.272SS*.THydrogen-bonded Turntrans-63.9-21.1173.6-62.9-175.5-172.1-177.42.8112.7S98 R223R96-S98 VanDerWaalsContact C-N 3.26Å; R96-R223 VanDerWaalsContact CZ-O 3.29Å; R96-R223 PolarHBondContact NE-O 3.43Å; R96-R223 PolarHBondContact NH2-O 3.18Å
97N73Confident84.6Confident67 Ų6751.6 Ų51.636%0.35826%0.262SS..THydrogen-bonded Turntrans-84.3-1.9177-64.6-15.3000112.5S95 I225S95-N97 PolarHBondContact O-N 2.96Å; S95-N97 PolarHBondContact OG-N 3.44Å; N97-I225 WeakPolarHBondContact ND2-CD1 3.47Å
98S72.8Confident84.8Confident17 Ų1751.8 Ų51.812%0.11926%0.263CS..SBendtrans-67.8145.9171.6-178.70000110.9Y92 S95 R96 S100 P101Y92-S98 WeakPolarHBondContact O-CB 3.38Å; Y92-S98 PolarHBondContact O-OG 3.31Å; S95-S98 WeakPolarHBondContact O-CB 3.36Å; S95-S98 PolarHBondContact O-N 3.2Å; R96-S98 VanDerWaalsContact C-N 3.26Å; S98-S100 PolarHBondContact O-N 3.44Å; S98-S100 PolarHBondContact OG-N 3.37Å; S98-P101 WeakPolarHBondContact O-CD 3.44Å
99L71.4Confident85.1Confident145 Ų14551 Ų5176%0.75926%0.255SS*.SBendtrans-68.5-20.8171.3-65.4174.2000112.6
100S74.8Confident85.4Confident51 Ų5151 Ų5136%0.35725%0.253SS..SBendtrans-149.366.4-179.656.60000111.7S98S98-S100 PolarHBondContact O-N 3.44Å; S98-S100 PolarHBondContact OG-N 3.37Å
101P80.1Confident85.6Confident69 Ų6951.8 Ų51.845%0.44826%0.257SS..PPolyproline II helixtrans-63.5142.617428.9-32.9000109.1R93 S98R93-P101 WeakPolarHBondContact O-CA 3.42Å; S98-P101 WeakPolarHBondContact O-CD 3.44Å
102V86.6Confident86Confident16 Ų1650 Ų5010%0.09725%0.25CS..PPolyproline II helixtrans-88.2142.6176.3-11.40000108.6R93 Y104 L298 F300R93-V102 HydrophobicContact CB-CG1 3.79Å; R93-V102 HydrophobicContact CG-CG1 4.24Å; R93-V102 PolarHBondContact O-N 3.32Å; V102-Y104 WeakPolarHBondContact O-CD1 3.49Å; V102-Y104 PolarHBondContact O-N 3.39Å; V102-L298 HydrophobicContact CG2-CB 4.42Å; V102-L298 HydrophobicContact CG2-CD1 3.86Å; V102-L298 HydrophobicContact CG2-CD2 3.9Å; V102-L298 HydrophobicContact CG2-CG 4.27Å; V102-F300 HydrophobicContact CG1-CD1 3.84Å; V102-F300 HydrophobicContact CG1-CE1 3.53Å; V102-F300 HydrophobicContact CG1-CZ 4.39Å
103E88.3Confident86.8Confident150 Ų15046.5 Ų46.570%0.70124%0.236SC*.PPolyproline II helixtrans-74.7117165.5-78.1-60.715800109.9R223 L298E103-R223 IonicContact OE1-NH1 3.78Å; E103-R223 IonicContact OE2-CZ 3.33Å; E103-R223 IonicContact OE2-NH1 3.81Å; E103-R223 PolarHBondContact OE2-NH1 3.07Å; E103-R223 IonicContact OE2-NH2 3.38Å; E103-L298 VanDerWaalsContact O-CD2 3.31Å; E103-L298 WeakPolarHBondContact O-CD2 3.27Å
104Y92.2Very high87.4Confident12 Ų1246.4 Ų46.45%0.04724%0.237CC..  trans-116.7178.7175.364-87.6000110.8T94 V102 H108 A109 W112 L220 R223T94-Y104 HydrophobicContact CG2-CD1 4.06Å; T94-Y104 HydrophobicContact CG2-CE1 3.56Å; V102-Y104 WeakPolarHBondContact O-CD1 3.49Å; V102-Y104 PolarHBondContact O-N 3.39Å; Y104-H108 HydrophobicContact CD2-CB 4.26Å; Y104-A109 HydrophobicContact CD2-CB 4.4Å; Y104-A109 HydrophobicContact CE2-CB 4.07Å; Y104-W112 HydrophobicContact CD1-CH2 4.22Å; Y104-W112 HydrophobicContact CD1-CZ3 4.11Å; Y104-W112 HydrophobicContact CD2-CH2 4.23Å; Y104-W112 AromaticContact CD2-CZ3 3.66Å; Y104-W112 HydrophobicContact CD2-CZ3 3.66Å; Y104-W112 HydrophobicContact CE1-CZ3 4.45Å; Y104-W112 HydrophobicContact CE2-CZ3 4.03Å; Y104-W112 AromaticContact CG-CH2 3.82Å; Y104-W112 HydrophobicContact CG-CH2 3.82Å; Y104-W112 AromaticContact CG-CZ3 3.69Å; Y104-W112 HydrophobicContact CG-CZ3 3.69Å; Y104-L220 WeakPolarHBondContact CE2-O 3.49Å; Y104-L220 PolarHBondContact OH-O 3.41Å; Y104-R223 PolarHBondContact O-NH2 3.08Å; Y104-R223 WeakPolarHBondContact OH-CG 3.45Å
105T91.8Very high87.9Confident68 Ų6846.8 Ų46.842%0.41724%0.238SC..  trans-118.2167.2177.966.40000110.5T107 H108 A109T105-T107 PolarHBondContact O-N 3.16Å; T105-T107 WeakPolarHBondContact OG1-CB 3.29Å; T105-T107 PolarHBondContact OG1-N 3.46Å; T105-H108 PolarHBondContact N-ND1 2.94Å; T105-H108 VanDerWaalsContact N-ND1 3.17Å; T105-H108 WeakPolarHBondContact O-CB 3.39Å; T105-H108 PolarHBondContact O-N 3.39Å; T105-H108 PolarHBondContact OG1-N 3.22Å; T105-H108 PolarHBondContact OG1-ND1 3.22Å; T105-A109 PolarHBondContact O-N 2.9Å; T105-A109 VanDerWaalsContact O-N 3.12Å
106K91.1Very high88.7Confident123 Ų12346.5 Ų46.554%0.53524%0.236SC..Hα-helixtrans-54.8-32.7170.6-69.5-174.8179.1-177.90111.4A109 L110K106-A109 PolarHBondContact O-N 3.07Å; K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 2.99Å
107T91.7Very high89.7Confident30 Ų3038.7 Ų38.718%0.18421%0.206CC..Hα-helixtrans-61.9-44.4174-51.30000112.3T105 L110 H111T105-T107 PolarHBondContact O-N 3.16Å; T105-T107 WeakPolarHBondContact OG1-CB 3.29Å; T105-T107 PolarHBondContact OG1-N 3.46Å; T107-L110 PolarHBondContact O-N 2.84Å; T107-H111 WeakPolarHBondContact O-CB 3.43Å; T107-H111 PolarHBondContact O-CD2 3.23Å; T107-H111 PolarHBondContact O-N 3.17Å
108H94Very high90.9Very high9 Ų938.8 Ų38.84%0.04220%0.204CC..Hα-helixtrans-60-48.6174.2-70.790.9000111.4Y104 T105 L110 H111 W112 E296 L298Y104-H108 HydrophobicContact CD2-CB 4.26Å; T105-H108 PolarHBondContact N-ND1 2.94Å; T105-H108 VanDerWaalsContact N-ND1 3.17Å; T105-H108 WeakPolarHBondContact O-CB 3.39Å; T105-H108 PolarHBondContact O-N 3.39Å; T105-H108 PolarHBondContact OG1-N 3.22Å; T105-H108 PolarHBondContact OG1-ND1 3.22Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 PolarHBondContact O-N 3.42Å; H108-H111 PolarHBondContact O-N 3.39Å; H108-H111 VanDerWaalsContact O-N 3.14Å; H108-W112 HydrophobicContact CB-CD2 4.45Å; H108-W112 HydrophobicContact CB-CE3 4.36Å; H108-W112 HydrophobicContact CB-CH2 4.08Å; H108-W112 HydrophobicContact CB-CZ2 4.15Å; H108-W112 HydrophobicContact CB-CZ3 4.17Å; H108-W112 VanDerWaalsContact O-CG 3.3Å; H108-W112 PolarHBondContact O-N 3.41Å; H108-E296 PolarHBondContact NE2-O 3.31Å; H108-L298 WeakPolarHBondContact NE2-CD2 3.49Å; H108-L298 WeakPolarHBondContact NE2-CG 3.44Å
109A94.9Very high92.1Very high1 Ų138 Ų381%0.00820%0.198CC..Hα-helixtrans-55.1-48.3178.700000112.1Y104 T105 K106 W112 A113 L220 L221Y104-A109 HydrophobicContact CD2-CB 4.4Å; Y104-A109 HydrophobicContact CE2-CB 4.07Å; T105-A109 PolarHBondContact O-N 2.9Å; T105-A109 VanDerWaalsContact O-N 3.12Å; K106-A109 PolarHBondContact O-N 3.07Å; A109-W112 PolarHBondContact O-N 2.65Å; A109-A113 WeakPolarHBondContact O-CB 3.31Å; A109-A113 PolarHBondContact O-N 3.35Å; A109-L220 HydrophobicContact CB-CB 3.92Å; A109-L221 HydrophobicContact CB-CD2 4.04Å
110L95.1Very high93.3Very high11 Ų1131.1 Ų31.16%0.05816%0.162CC..Hα-helixtrans-65.5-39.1177.8-70.2174.3000112.3K106 T107 H108 L114 L217 L257 V286K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 2.99Å; T107-L110 PolarHBondContact O-N 2.84Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 PolarHBondContact O-N 3.42Å; L110-L114 VanDerWaalsContact O-CB 3.23Å; L110-L114 WeakPolarHBondContact O-CB 3.44Å; L110-L114 PolarHBondContact O-N 3.16Å; L110-L217 HydrophobicContact CD2-CD1 4.41Å; L110-L257 HydrophobicContact CD2-CD1 4.24Å; L110-L257 HydrophobicContact CD2-CD2 3.85Å; L110-V286 HydrophobicContact CB-CG2 3.92Å
111H96.1Very high94.4Very high17 Ų1729.9 Ų29.98%0.07915%0.154CC..Hα-helixtrans-65.8-41.1175.9-97.6-96.6000112.6T107 H108 Q115 V286 P295T107-H111 WeakPolarHBondContact O-CB 3.43Å; T107-H111 PolarHBondContact O-CD2 3.23Å; T107-H111 PolarHBondContact O-N 3.17Å; H108-H111 PolarHBondContact O-N 3.39Å; H108-H111 VanDerWaalsContact O-N 3.14Å; H111-Q115 WeakPolarHBondContact O-CB 3.15Å; H111-Q115 WeakPolarHBondContact O-CG 3.33Å; H111-Q115 PolarHBondContact O-N 3.5Å; H111-Q115 PolarHBondContact O-NE2 3.5Å; H111-V286 VanDerWaalsContact NE2-CG1 3.25Å; H111-V286 WeakPolarHBondContact NE2-CG1 3.24Å; H111-P295 HydrophobicContact CB-CG 4.04Å
112W97.5Very high95.2Very high1 Ų130 Ų300%0.00415%0.146CC..Hα-helixtrans-65.3-46.9175.2-66.1-30.6000111.5L90 T94 Y104 H108 A109 L114 Q115 C116 L143 G147 L150 L220 L298L90-W112 HydrophobicContact CD1-CD2 3.84Å; L90-W112 HydrophobicContact CD1-CE3 3.65Å; L90-W112 HydrophobicContact CD1-CG 4.44Å; L90-W112 HydrophobicContact CD1-CH2 4.16Å; L90-W112 HydrophobicContact CD1-CZ2 4.33Å; L90-W112 HydrophobicContact CD1-CZ3 3.83Å; L90-W112 HydrophobicContact CD2-CB 4.49Å; T94-W112 HydrophobicContact CG2-CH2 4.13Å; T94-W112 HydrophobicContact CG2-CZ3 3.69Å; Y104-W112 HydrophobicContact CD1-CH2 4.22Å; Y104-W112 HydrophobicContact CD1-CZ3 4.11Å; Y104-W112 HydrophobicContact CD2-CH2 4.23Å; Y104-W112 AromaticContact CD2-CZ3 3.66Å; Y104-W112 HydrophobicContact CD2-CZ3 3.66Å; Y104-W112 HydrophobicContact CE1-CZ3 4.45Å; Y104-W112 HydrophobicContact CE2-CZ3 4.03Å; Y104-W112 AromaticContact CG-CH2 3.82Å; Y104-W112 HydrophobicContact CG-CH2 3.82Å; Y104-W112 AromaticContact CG-CZ3 3.69Å; Y104-W112 HydrophobicContact CG-CZ3 3.69Å; H108-W112 HydrophobicContact CB-CD2 4.45Å; H108-W112 HydrophobicContact CB-CE3 4.36Å; H108-W112 HydrophobicContact CB-CH2 4.08Å; H108-W112 HydrophobicContact CB-CZ2 4.15Å; H108-W112 HydrophobicContact CB-CZ3 4.17Å; H108-W112 VanDerWaalsContact O-CG 3.3Å; H108-W112 PolarHBondContact O-N 3.41Å; A109-W112 PolarHBondContact O-N 2.65Å; W112-L114 VanDerWaalsContact C-N 3.33Å; W112-L114 PolarHBondContact O-N 3.42Å; W112-Q115 PolarHBondContact O-N 2.95Å; W112-C116 WeakPolarHBondContact O-CB 3.48Å; W112-C116 PolarHBondContact O-N 3.48Å; W112-L143 HydrophobicContact CD2-CD2 4.5Å; W112-L143 HydrophobicContact CG-CD2 4.4Å; W112-L143 HydrophobicContact CZ2-CD1 3.89Å; W112-L143 HydrophobicContact CZ2-CD2 4.39Å; W112-G147 PolarHBondContact NE1-O 2.91Å; W112-L150 HydrophobicContact CB-CD1 3.66Å; W112-L150 HydrophobicContact CG-CD1 4.12Å; W112-L220 HydrophobicContact CB-CD1 4.25Å; W112-L220 HydrophobicContact CE3-CD2 4.1Å; W112-L220 HydrophobicContact CZ3-CD2 4.45Å; W112-L298 HydrophobicContact CH2-CD1 3.86Å; W112-L298 HydrophobicContact CZ2-CD1 3.41Å; W112-L298 VanDerWaalsContact CZ2-CD1 3.41Å
113A97.7Very high95.6Very high0 Ų029.3 Ų29.30%014%0.141CC..Hα-helixtrans-59.8-43.1176.500000111.7A109 C116 A117 W213 L217A109-A113 WeakPolarHBondContact O-CB 3.31Å; A109-A113 PolarHBondContact O-N 3.35Å; A113-C116 PolarHBondContact O-N 2.98Å; A113-A117 WeakPolarHBondContact O-CB 3.38Å; A113-A117 PolarHBondContact O-N 3.36Å; A113-W213 HydrophobicContact CB-CZ2 3.78Å; A113-W213 PolarHBondContact O-NE1 3.08Å; A113-L217 HydrophobicContact CB-CD1 3.78Å
114L98Very high95.8Very high7 Ų723.6 Ų23.64%0.03712%0.115CC..Hα-helixtrans-61.1-45.9175.5179.160.6000112.1L110 W112 C116 A117 K118 V279 V282 L283 V286L110-L114 VanDerWaalsContact O-CB 3.23Å; L110-L114 WeakPolarHBondContact O-CB 3.44Å; L110-L114 PolarHBondContact O-N 3.16Å; W112-L114 VanDerWaalsContact C-N 3.33Å; W112-L114 PolarHBondContact O-N 3.42Å; L114-C116 VanDerWaalsContact C-N 3.35Å; L114-A117 PolarHBondContact O-N 3.25Å; L114-K118 WeakPolarHBondContact O-CG 3.49Å; L114-K118 PolarHBondContact O-N 3.38Å; L114-V279 HydrophobicContact CD1-CG1 4.12Å; L114-V282 HydrophobicContact CB-CG1 3.81Å; L114-V282 HydrophobicContact CD1-CB 4.18Å; L114-V282 HydrophobicContact CD1-CG1 4.16Å; L114-V282 HydrophobicContact CG-CG1 4.5Å; L114-L283 HydrophobicContact CD1-CB 4.2Å; L114-L283 HydrophobicContact CD2-CD1 3.93Å; L114-V286 HydrophobicContact CD2-CB 4.37Å; L114-V286 HydrophobicContact CD2-CG1 4.5Å; L114-V286 HydrophobicContact CD2-CG2 4.02Å
115Q98.5Very high95.9Very high18 Ų1826.6 Ų26.68%0.08414%0.141CC..Hα-helixtrans-63.7-40.3178.6-77.4179.282.900112.1N63 H111 W112 K118 G119 T148 L150N63-Q115 VanDerWaalsContact CB-O 3.25Å; N63-Q115 WeakPolarHBondContact CB-O 3.48Å; N63-Q115 WeakPolarHBondContact ND2-CB 3.48Å; N63-Q115 WeakPolarHBondContact ND2-CG 3.41Å; N63-Q115 PolarHBondContact ND2-OE1 3.46Å; N63-Q115 VanDerWaalsContact ND2-OE1 3.07Å; N63-Q115 PolarHBondContact OD1-O 3.07Å; H111-Q115 WeakPolarHBondContact O-CB 3.15Å; H111-Q115 WeakPolarHBondContact O-CG 3.33Å; H111-Q115 PolarHBondContact O-N 3.5Å; H111-Q115 PolarHBondContact O-NE2 3.5Å; W112-Q115 PolarHBondContact O-N 2.95Å; Q115-K118 PolarHBondContact O-N 3.28Å; Q115-G119 PolarHBondContact O-N 2.84Å; Q115-T148 PolarHBondContact NE2-O 3.48Å; Q115-L150 HydrophobicContact CB-CB 3.94Å; Q115-L150 HydrophobicContact CB-CD2 4.36Å
116C98.6Very high95.8Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-60.3-50.4171.9-176.10000110.6W112 A113 L114 K118 G119 V120 L141 L150W112-C116 WeakPolarHBondContact O-CB 3.48Å; W112-C116 PolarHBondContact O-N 3.48Å; A113-C116 PolarHBondContact O-N 2.98Å; L114-C116 VanDerWaalsContact C-N 3.35Å; C116-K118 VanDerWaalsContact C-N 3.32Å; C116-K118 PolarHBondContact O-N 3.25Å; C116-G119 PolarHBondContact O-N 3.25Å; C116-V120 VanDerWaalsContact O-CG2 3.32Å; C116-V120 WeakPolarHBondContact O-CG2 3.29Å; C116-V120 PolarHBondContact O-N 3.03Å; C116-L141 HydrophobicContact CB-CD1 4.39Å; C116-L150 HydrophobicContact CB-CD2 4.03Å
117A98.6Very high95.7Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-58.8-40.7178.900000112.4A113 L114 V120 S121 W213 M275 V278 V279A113-A117 WeakPolarHBondContact O-CB 3.38Å; A113-A117 PolarHBondContact O-N 3.36Å; L114-A117 PolarHBondContact O-N 3.25Å; A117-V120 PolarHBondContact O-N 3.45Å; A117-S121 VanDerWaalsContact O-CB 3.23Å; A117-S121 WeakPolarHBondContact O-CB 3.32Å; A117-S121 PolarHBondContact O-N 3.38Å; A117-W213 HydrophobicContact CB-CZ2 4.39Å; A117-M275 HydrophobicContact CB-CG 4.45Å; A117-M275 HydrophobicContact CB-SD 3.89Å; A117-M275 VanDerWaalsContact O-CG 3.31Å; A117-M275 WeakPolarHBondContact O-CG 3.43Å; A117-V278 HydrophobicContact CB-CG1 4.17Å; A117-V279 HydrophobicContact CB-CG2 3.63Å
118K98.6Very high95.5Very high70 Ų7031.5 Ų31.530%0.30417%0.171SC..Hα-helixtrans-61.6-48.2175.5-76.6177.8170.5-171.40112.2L114 Q115 C116 V120 S121 Y122 V279L114-K118 WeakPolarHBondContact O-CG 3.49Å; L114-K118 PolarHBondContact O-N 3.38Å; Q115-K118 PolarHBondContact O-N 3.28Å; C116-K118 VanDerWaalsContact C-N 3.32Å; C116-K118 PolarHBondContact O-N 3.25Å; K118-V120 VanDerWaalsContact C-N 3.33Å; K118-V120 PolarHBondContact O-N 2.74Å; K118-S121 PolarHBondContact O-N 2.72Å; K118-Y122 WeakPolarHBondContact O-CB 3.24Å; K118-Y122 PolarHBondContact O-N 3.37Å; K118-V279 HydrophobicContact CG-CG1 4.06Å; K118-V279 HydrophobicContact CG-CG2 4.18Å
119G98.1Very high95Very high0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-59.6-43.8176.700000112.1Q115 C116 Y122 L123Q115-G119 PolarHBondContact O-N 2.84Å; C116-G119 PolarHBondContact O-N 3.25Å; G119-Y122 WeakPolarHBondContact O-CB 3.43Å; G119-Y122 PolarHBondContact O-N 2.77Å; G119-L123 WeakPolarHBondContact O-CG 3.48Å; G119-L123 PolarHBondContact O-N 2.76Å; G119-L123 VanDerWaalsContact O-N 3.16Å
120V97Very high94.7Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-69.7-42.1178.6-179.60000112C116 A117 K118 Y122 L123 H124 L136 I152 D209 M275C116-V120 VanDerWaalsContact O-CG2 3.32Å; C116-V120 WeakPolarHBondContact O-CG2 3.29Å; C116-V120 PolarHBondContact O-N 3.03Å; A117-V120 PolarHBondContact O-N 3.45Å; K118-V120 VanDerWaalsContact C-N 3.33Å; K118-V120 PolarHBondContact O-N 2.74Å; V120-Y122 PolarHBondContact O-N 2.77Å; V120-L123 WeakPolarHBondContact O-CB 3.31Å; V120-L123 PolarHBondContact O-N 3.35Å; V120-L123 VanDerWaalsContact O-N 3.07Å; V120-H124 WeakPolarHBondContact CG1-CE1 3.45Å; V120-H124 VanDerWaalsContact CG1-NE2 3.25Å; V120-H124 WeakPolarHBondContact CG1-NE2 3.48Å; V120-H124 PolarHBondContact O-CD2 3.17Å; V120-H124 VanDerWaalsContact O-CG 3.31Å; V120-H124 PolarHBondContact O-N 3.01Å; V120-L136 HydrophobicContact CG1-CD1 4.29Å; V120-L136 HydrophobicContact CG2-CD1 3.47Å; V120-L136 VanDerWaalsContact CG2-CD1 3.47Å; V120-L136 HydrophobicContact CG2-CD2 4.09Å; V120-L136 HydrophobicContact CG2-CG 4.36Å; V120-I152 HydrophobicContact CG2-CD1 3.72Å; V120-D209 HydrophobicContact CG1-CB 3.9Å; V120-M275 HydrophobicContact CB-CE 3.96Å; V120-M275 HydrophobicContact CB-CG 3.93Å; V120-M275 HydrophobicContact CB-SD 4.47Å; V120-M275 HydrophobicContact CG1-CB 4.48Å; V120-M275 HydrophobicContact CG1-CE 3.54Å; V120-M275 HydrophobicContact CG1-CG 3.93Å; V120-M275 HydrophobicContact CG1-SD 4.48Å
121S97.5Very high94.3Very high26 Ų2640 Ų4018%0.18221%0.213CC..Hα-helixtrans-59.6-37.6175.1-1740000111.6A117 K118 A125A117-S121 VanDerWaalsContact O-CB 3.23Å; A117-S121 WeakPolarHBondContact O-CB 3.32Å; A117-S121 PolarHBondContact O-N 3.38Å; K118-S121 PolarHBondContact O-N 2.72Å; S121-A125 VanDerWaalsContact O-CB 3.32Å; S121-A125 WeakPolarHBondContact O-CB 3.38Å; S121-A125 PolarHBondContact O-N 2.87Å; S121-A125 VanDerWaalsContact O-N 3.08Å
122Y97.4Very high93.9Very high72 Ų7240 Ų4028%0.28222%0.215SC..Hα-helixtrans-61.5-46.7173.1169.8-88.6000111.4V59 S60 H61 I64 K118 G119 V120 H124 A125 M126V59-Y122 HydrophobicContact CB-CE1 4.39Å; V59-Y122 HydrophobicContact CG1-CD1 4.45Å; V59-Y122 HydrophobicContact CG1-CE1 3.81Å; V59-Y122 HydrophobicContact CG2-CE1 4.42Å; S60-Y122 PolarHBondContact N-OH 2.85Å; S60-Y122 VanDerWaalsContact N-OH 3.11Å; H61-Y122 HydrophobicContact CB-CD1 3.91Å; H61-Y122 HydrophobicContact CB-CD2 4.32Å; H61-Y122 HydrophobicContact CB-CE1 4.15Å; H61-Y122 HydrophobicContact CB-CG 4Å; H61-Y122 AromaticContact CD2-CD2 3.85Å; H61-Y122 AromaticContact CD2-CG 3.81Å; I64-Y122 HydrophobicContact CD1-CD1 3.75Å; I64-Y122 HydrophobicContact CD1-CE1 4.31Å; K118-Y122 WeakPolarHBondContact O-CB 3.24Å; K118-Y122 PolarHBondContact O-N 3.37Å; G119-Y122 WeakPolarHBondContact O-CB 3.43Å; G119-Y122 PolarHBondContact O-N 2.77Å; V120-Y122 PolarHBondContact O-N 2.77Å; Y122-H124 PolarHBondContact O-N 3.21Å; Y122-A125 PolarHBondContact O-N 3.45Å; Y122-M126 HydrophobicContact CE1-CG 4.25Å; Y122-M126 HydrophobicContact CE1-SD 3.99Å; Y122-M126 WeakPolarHBondContact O-CG 3.49Å; Y122-M126 PolarHBondContact O-N 3.44Å
123L94Very high93.5Very high0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-61.8-43.8178.6-67.7168.6000112.2V59 I64 G119 V120 A125 M126 I131 F155V59-L123 HydrophobicContact CG1-CD2 4.36Å; V59-L123 HydrophobicContact CG2-CD2 3.71Å; I64-L123 HydrophobicContact CD1-CD1 4.09Å; I64-L123 HydrophobicContact CD1-CD2 3.75Å; I64-L123 HydrophobicContact CD1-CG 3.7Å; G119-L123 WeakPolarHBondContact O-CG 3.48Å; G119-L123 PolarHBondContact O-N 2.76Å; G119-L123 VanDerWaalsContact O-N 3.16Å; V120-L123 WeakPolarHBondContact O-CB 3.31Å; V120-L123 PolarHBondContact O-N 3.35Å; V120-L123 VanDerWaalsContact O-N 3.07Å; L123-A125 VanDerWaalsContact C-N 3.25Å; L123-A125 PolarHBondContact O-N 3.2Å; L123-M126 HydrophobicContact CD2-SD 4.15Å; L123-M126 WeakPolarHBondContact O-CB 3.23Å; L123-M126 WeakPolarHBondContact O-CG 3.21Å; L123-M126 PolarHBondContact O-N 3.02Å; L123-I131 CarbonylContact C-O 3.53Å; L123-I131 HydrophobicContact CB-CB 4.18Å; L123-I131 WeakPolarHBondContact CB-O 3.39Å; L123-I131 HydrophobicContact CD2-CB 4.02Å; L123-I131 HydrophobicContact CD2-CD1 4.33Å; L123-I131 HydrophobicContact CD2-CG2 4.01Å; L123-I131 PolarHBondContact O-N 3.44Å; L123-F155 HydrophobicContact CD1-CE1 3.64Å; L123-F155 HydrophobicContact CD1-CZ 4.19Å; L123-F155 HydrophobicContact CD2-CE1 3.87Å; L123-F155 HydrophobicContact CD2-CZ 4.46Å; L123-F155 HydrophobicContact CG-CE1 4.42Å
124H93.3Very high92.9Very high31 Ų3143.1 Ų43.114%0.14423%0.227CC..Hα-helixtrans-67.2-25.6178.7-66.6-178.1000112.8V120 Y122 P130 I131 E206 D209V120-H124 WeakPolarHBondContact CG1-CE1 3.45Å; V120-H124 VanDerWaalsContact CG1-NE2 3.25Å; V120-H124 WeakPolarHBondContact CG1-NE2 3.48Å; V120-H124 PolarHBondContact O-CD2 3.17Å; V120-H124 VanDerWaalsContact O-CG 3.31Å; V120-H124 PolarHBondContact O-N 3.01Å; Y122-H124 PolarHBondContact O-N 3.21Å; H124-P130 VanDerWaalsContact O-CB 3.29Å; H124-P130 WeakPolarHBondContact O-CB 3.48Å; H124-I131 PolarHBondContact CD2-O 2.94Å; H124-E206 PolarHBondContact CE1-O 3.15Å; H124-D209 IonicContact CD2-OD2 3.31Å; H124-D209 IonicContact CE1-OD2 2.69Å; H124-D209 IonicContact NE2-OD2 3.66Å; H124-D209 PolarHBondContact NE2-OD2 2.7Å
125A94.4Very high92.3Very high74 Ų7443.3 Ų43.361%0.61223%0.228SC*.THydrogen-bonded Turntrans-89.1-0.1177.500000113.8S121 Y122 L123S121-A125 VanDerWaalsContact O-CB 3.32Å; S121-A125 WeakPolarHBondContact O-CB 3.38Å; S121-A125 PolarHBondContact O-N 2.87Å; S121-A125 VanDerWaalsContact O-N 3.08Å; Y122-A125 PolarHBondContact O-N 3.45Å; L123-A125 VanDerWaalsContact C-N 3.25Å; L123-A125 PolarHBondContact O-N 3.2Å
126M90.6Very high92Very high22 Ų2242.5 Ų42.511%0.10822%0.224CC..  trans-68.4139.4-176.9-69.9-171.372.200112.9R58 V59 Y122 L123 K129 P130 I131R58-M126 HydrophobicContact CB-CE 3.72Å; R58-M126 WeakPolarHBondContact O-CE 3.29Å; V59-M126 HydrophobicContact CG2-CE 4.07Å; V59-M126 HydrophobicContact CG2-SD 3.71Å; Y122-M126 HydrophobicContact CE1-CG 4.25Å; Y122-M126 HydrophobicContact CE1-SD 3.99Å; Y122-M126 WeakPolarHBondContact O-CG 3.49Å; Y122-M126 PolarHBondContact O-N 3.44Å; L123-M126 HydrophobicContact CD2-SD 4.15Å; L123-M126 WeakPolarHBondContact O-CB 3.23Å; L123-M126 WeakPolarHBondContact O-CG 3.21Å; L123-M126 PolarHBondContact O-N 3.02Å; M126-K129 CarbonylContact O-C 3.42Å; M126-P130 WeakPolarHBondContact O-CA 3.43Å; M126-P130 VanDerWaalsContact O-N 3.12Å; M126-I131 HydrophobicContact CE-CD1 4.04Å; M126-I131 HydrophobicContact SD-CB 4.42Å; M126-I131 HydrophobicContact SD-CD1 3.47Å; M126-I131 WeakPolarHBondContact SD-CD1 3.49Å; M126-I131 HydrophobicContact SD-CG1 3.85Å
127E87.9Confident91.6Very high171 Ų17143.3 Ų43.380%0.79923%0.227SC*.SBendtrans-109.1156.8174.5-69.9-167.6177.300112.1R58R58-E127 PolarHBondContact NH2-O 2.72Å
128P88.4Confident91.3Very high131 Ų13143.3 Ų43.385%0.85123%0.227SC*.SBendcis-76.6-7.2-4.833.7-37.3000113.4
129K83.2Confident90.8Very high138 Ų13841.9 Ų41.960%0.623%0.225SC*.SBendtrans-132.4129.6179.8-173.7-176.2176.1-176.10109.5R58 M126R58-K129 PolarHBondContact NH2-O 2.94Å; M126-K129 CarbonylContact O-C 3.42Å
130P88Confident90.5Very high58 Ų5842.5 Ų42.538%0.37723%0.229SC..  trans-64.5149.5175.528.3-36.1000110.6H124 M126H124-P130 VanDerWaalsContact O-CB 3.29Å; H124-P130 WeakPolarHBondContact O-CB 3.48Å; M126-P130 WeakPolarHBondContact O-CA 3.43Å; M126-P130 VanDerWaalsContact O-N 3.12Å
131I87.5Confident90.4Very high4 Ų442.6 Ų42.62%0.02123%0.229CC..  trans-98126.2170.8-61.1-175.3000107.5Q55 V59 L123 H124 M126 F155Q55-I131 HydrophobicContact CB-CD1 4.12Å; Q55-I131 HydrophobicContact CG-CD1 4.23Å; V59-I131 HydrophobicContact CG2-CD1 3.87Å; L123-I131 CarbonylContact C-O 3.53Å; L123-I131 HydrophobicContact CB-CB 4.18Å; L123-I131 WeakPolarHBondContact CB-O 3.39Å; L123-I131 HydrophobicContact CD2-CB 4.02Å; L123-I131 HydrophobicContact CD2-CD1 4.33Å; L123-I131 HydrophobicContact CD2-CG2 4.01Å; L123-I131 PolarHBondContact O-N 3.44Å; H124-I131 PolarHBondContact CD2-O 2.94Å; M126-I131 HydrophobicContact CE-CD1 4.04Å; M126-I131 HydrophobicContact SD-CB 4.42Å; M126-I131 HydrophobicContact SD-CD1 3.47Å; M126-I131 WeakPolarHBondContact SD-CD1 3.49Å; M126-I131 HydrophobicContact SD-CG1 3.85Å; I131-F155 HydrophobicContact CG2-CD1 4.45Å
132V87.6Confident90.2Very high18 Ų1842.9 Ų42.911%0.10923%0.228CC..  trans-106128.7171.9-1740000107.2R134 E206 D209V132-R134 HydrophobicContact CB-CG 4.16Å; V132-R134 HydrophobicContact CG1-CG 3.69Å; V132-E206 HydrophobicContact CG2-CB 4.09Å; V132-D209 WeakPolarHBondContact CG1-OD2 3.41Å
133H88.9Confident90.1Very high0 Ų039.5 Ų39.50%022%0.215CC..  trans-73.2-44.2-174.2-170.4-77.3000112.1D135 L136 I152 C153 F155 T157 D209H133-D135 PolarHBondContact CE1-O 2.86Å; H133-D135 VanDerWaalsContact CE1-O 3.28Å; H133-D135 VanDerWaalsContact ND1-C 3.26Å; H133-D135 PolarHBondContact ND1-N 3.41Å; H133-D135 PolarHBondContact ND1-O 2.74Å; H133-D135 PolarHBondContact O-N 3.45Å; H133-L136 HydrophobicContact CB-CD1 4.29Å; H133-L136 HydrophobicContact CB-CG 4Å; H133-L136 PolarHBondContact ND1-N 3.37Å; H133-I152 VanDerWaalsContact CD2-CG2 3.42Å; H133-I152 WeakPolarHBondContact CD2-CG2 3.44Å; H133-I152 VanDerWaalsContact NE2-CG2 3.32Å; H133-I152 WeakPolarHBondContact NE2-CG2 3.4Å; H133-C153 PolarHBondContact NE2-O 3.43Å; H133-C153 VanDerWaalsContact NE2-O 3.14Å; H133-F155 AromaticContact CD2-CE1 3.82Å; H133-T157 PolarHBondContact O-OG1 2.87Å; H133-D209 WeakPolarHBondContact CB-OD1 3.21Å; H133-D209 PolarHBondContact N-OD1 3.14Å; H133-D209 PolarHBondContact N-OD2 2.59Å
134R85.7Confident90Very high66 Ų6639.8 Ų39.825%0.24922%0.217CC..SBendtrans68.1-15.7175.4-53.8176.9178.5-174.7-5.8117.1V132 A158 Y204 D209V132-R134 HydrophobicContact CB-CG 4.16Å; V132-R134 HydrophobicContact CG1-CG 3.69Å; R134-A158 VanDerWaalsContact NH1-C 3.34Å; R134-A158 PolarHBondContact NH1-O 2.78Å; R134-Y204 HydrophobicContact CG-CE2 4.29Å; R134-Y204 VanDerWaalsContact CZ-CE2 3.44Å; R134-Y204 PolarHBondContact NH1-OH 2.93Å; R134-Y204 VanDerWaalsContact NH1-OH 3.14Å; R134-D209 PolarHBondContact N-OD1 2.9Å
135D84.4Confident90Very high11 Ų1146.1 Ų46.16%0.05924%0.24CC..  trans-132.246.7176.6-162.816.2000111.8H133 K137 N140 T157 N167 S171H133-D135 PolarHBondContact CE1-O 2.86Å; H133-D135 VanDerWaalsContact CE1-O 3.28Å; H133-D135 VanDerWaalsContact ND1-C 3.26Å; H133-D135 PolarHBondContact ND1-N 3.41Å; H133-D135 PolarHBondContact ND1-O 2.74Å; H133-D135 PolarHBondContact O-N 3.45Å; D135-K137 PolarHBondContact O-N 2.61Å; D135-K137 IonicContact OD1-NZ 2.84Å; D135-K137 PolarHBondContact OD1-NZ 3.41Å; D135-K137 IonicContact OD2-NZ 2.8Å; D135-K137 PolarHBondContact OD2-NZ 2.94Å; D135-N140 PolarHBondContact O-ND2 3.35Å; D135-T157 HydrophobicContact CB-CG2 3.93Å; D135-T157 WeakPolarHBondContact CB-OG1 3.25Å; D135-N167 PolarHBondContact OD2-ND2 2.84Å; D135-S171 PolarHBondContact OD1-OG 2.85Å
136L91.8Very high89.9Confident1 Ų148.3 Ų48.31%0.00524%0.237CC..  trans-72.4122.6174.8-89.7167.4000110V120 H133 L141 I152 W174 D209 S212 I216V120-L136 HydrophobicContact CG1-CD1 4.29Å; V120-L136 HydrophobicContact CG2-CD1 3.47Å; V120-L136 VanDerWaalsContact CG2-CD1 3.47Å; V120-L136 HydrophobicContact CG2-CD2 4.09Å; V120-L136 HydrophobicContact CG2-CG 4.36Å; H133-L136 HydrophobicContact CB-CD1 4.29Å; H133-L136 HydrophobicContact CB-CG 4Å; H133-L136 PolarHBondContact ND1-N 3.37Å; L136-L141 HydrophobicContact CD2-CD2 4.03Å; L136-I152 HydrophobicContact CD2-CG2 4.35Å; L136-W174 WeakPolarHBondContact O-CB 3.41Å; L136-D209 HydrophobicContact CD1-CB 3.6Å; L136-S212 WeakPolarHBondContact O-CB 3.43Å; L136-I216 HydrophobicContact CB-CD1 4.19Å
137K91.3Very high90Very high16 Ų1647.3 Ų47.37%0.0723%0.232CC..SBendtrans-164.4158.2177.954.7-177.1-177.2-1340109.5D135 P139 N140 L141 S171 W174D135-K137 PolarHBondContact O-N 2.61Å; D135-K137 IonicContact OD1-NZ 2.84Å; D135-K137 PolarHBondContact OD1-NZ 3.41Å; D135-K137 IonicContact OD2-NZ 2.8Å; D135-K137 PolarHBondContact OD2-NZ 2.94Å; K137-P139 VanDerWaalsContact C-CD 3.42Å; K137-P139 VanDerWaalsContact C-N 3.27Å; K137-P139 HydrophobicContact CD-CG 4.34Å; K137-P139 HydrophobicContact CG-CB 4.43Å; K137-P139 HydrophobicContact CG-CG 4.34Å; K137-N140 HydrophobicContact CG-CB 4.22Å; K137-N140 WeakPolarHBondContact O-CA 3.45Å; K137-N140 PolarHBondContact O-N 3.33Å; K137-L141 PolarHBondContact O-N 3.37Å; K137-S171 PolarHBondContact NZ-OG 3.11Å; K137-W174 HydrophobicContact CB-CB 4.21Å; K137-W174 HydrophobicContact CB-CD2 3.64Å; K137-W174 HydrophobicContact CB-CE3 3.84Å; K137-W174 HydrophobicContact CB-CG 3.8Å; K137-W174 HydrophobicContact CB-CZ3 4.49Å; K137-W174 HydrophobicContact CD-CE3 4.43Å
138T92.1Very high90.3Very high0 Ų040.9 Ų40.90%021%0.205CC..G310 helixtrans-58.3-26.5-17849.80000115.1L90 Y91 N140 L141 I216 E219L90-T138 HydrophobicContact CD2-CG2 4.11Å; L90-T138 HydrophobicContact CG-CG2 4.31Å; L90-T138 PolarHBondContact N-O 3.07Å; Y91-T138 PolarHBondContact N-O 2.96Å; T138-N140 VanDerWaalsContact C-N 3.29Å; T138-N140 PolarHBondContact O-N 3.35Å; T138-L141 PolarHBondContact O-N 3.49Å; T138-I216 HydrophobicContact CG2-CG1 4.43Å; T138-I216 HydrophobicContact CG2-CG2 4.04Å; T138-E219 WeakPolarHBondContact CB-OE1 3.45Å; T138-E219 HydrophobicContact CG2-CG 4.47Å; T138-E219 WeakPolarHBondContact CG2-OE1 3.23Å; T138-E219 WeakPolarHBondContact CG2-OE2 3.23Å; T138-E219 VanDerWaalsContact OG1-CD 3.31Å; T138-E219 PolarHBondContact OG1-OE1 3.4Å; T138-E219 PolarHBondContact OG1-OE2 2.89Å
139P88.3Confident90.7Very high41 Ų4135.3 Ų35.327%0.26617%0.168SC..G310 helixtrans-63.3-28.1167.6-28.336.3000115.3C89 Y91 K137C89-P139 WeakPolarHBondContact CB-O 3.2Å; Y91-P139 HydrophobicContact CD2-CG 4.37Å; Y91-P139 HydrophobicContact CG-CG 4.06Å; K137-P139 VanDerWaalsContact C-CD 3.42Å; K137-P139 VanDerWaalsContact C-N 3.27Å; K137-P139 HydrophobicContact CD-CG 4.34Å; K137-P139 HydrophobicContact CG-CB 4.43Å; K137-P139 HydrophobicContact CG-CG 4.34Å
140N91.6Very high91.4Very high13 Ų1328.7 Ų28.77%0.0714%0.139CC..G310 helixtrans-95.99.7-178.9-71.2-5.9000112.8D135 K137 T138 C153D135-N140 PolarHBondContact O-ND2 3.35Å; K137-N140 HydrophobicContact CG-CB 4.22Å; K137-N140 WeakPolarHBondContact O-CA 3.45Å; K137-N140 PolarHBondContact O-N 3.33Å; T138-N140 VanDerWaalsContact C-N 3.29Å; T138-N140 PolarHBondContact O-N 3.35Å; N140-C153 PolarHBondContact O-N 3.12Å; N140-C153 PolarHBondContact O-SG 3.15Å; N140-C153 VanDerWaalsContact O-SG 3.37Å
141L94.4Very high91.8Very high1 Ų126.8 Ų26.81%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-112.1119.3174-57-176.2000108.6C89 L90 C116 L136 K137 T138 L150 I152 I216C89-L141 CarbonylContact C-O 3.54Å; C89-L141 WeakPolarHBondContact CA-O 3.39Å; L90-L141 HydrophobicContact CB-CB 4.06Å; L90-L141 WeakPolarHBondContact CB-O 3.49Å; L90-L141 HydrophobicContact CD2-CB 4.25Å; L90-L141 HydrophobicContact CD2-CD1 4.02Å; L90-L141 PolarHBondContact N-O 2.87Å; C116-L141 HydrophobicContact CB-CD1 4.39Å; L136-L141 HydrophobicContact CD2-CD2 4.03Å; K137-L141 PolarHBondContact O-N 3.37Å; T138-L141 PolarHBondContact O-N 3.49Å; L141-L150 HydrophobicContact CB-CD1 4.16Å; L141-L150 HydrophobicContact CB-CD2 4.49Å; L141-L150 HydrophobicContact CB-CG 4.37Å; L141-L150 HydrophobicContact CD1-CD1 4.19Å; L141-L150 HydrophobicContact CD2-CD2 4.26Å; L141-I152 HydrophobicContact CD2-CB 4.42Å; L141-I152 HydrophobicContact CD2-CG1 3.81Å; L141-I216 HydrophobicContact CD1-CD1 4.11Å; L141-I216 HydrophobicContact CD1-CG2 4Å
142L94.3Very high92.2Very high32 Ų3226.6 Ų26.617%0.16812%0.124CC..EExtended strand (participates in β ladder)trans-100.8150-178.2-56.4178.1000111.4A85 G88 C89 L150 K151 C153A85-L142 HydrophobicContact CB-CB 3.55Å; A85-L142 HydrophobicContact CB-CD1 3.81Å; A85-L142 HydrophobicContact CB-CG 4.19Å; G88-L142 WeakPolarHBondContact O-CA 3.47Å; C89-L142 HydrophobicContact CB-CD2 3.91Å; L142-L150 CarbonylContact O-C 3.46Å; L142-L150 VanDerWaalsContact O-CA 3.31Å; L142-L150 WeakPolarHBondContact O-CA 3.32Å; L142-K151 PolarHBondContact N-O 2.91Å; L142-K151 PolarHBondContact O-N 2.88Å; L142-C153 HydrophobicContact CD1-CB 3.83Å; L142-C153 HydrophobicContact CG-CB 4.22Å
143L94.5Very high92.3Very high1 Ų126.7 Ų26.71%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-110.3136.9175.9-69.5-176.1000111.4C87 G88 L90 R93 W112 L149 L150 F300C87-L143 HydrophobicContact CB-CB 3.59Å; C87-L143 WeakPolarHBondContact CB-O 3.42Å; C87-L143 PolarHBondContact N-O 3.4Å; C87-L143 VanDerWaalsContact N-O 3.12Å; G88-L143 PolarHBondContact O-N 3.41Å; L90-L143 HydrophobicContact CD1-CD1 3.79Å; L90-L143 HydrophobicContact CD1-CD2 4.18Å; L90-L143 HydrophobicContact CD1-CG 4.13Å; R93-L143 HydrophobicContact CB-CD1 4.27Å; R93-L143 HydrophobicContact CG-CD1 4.38Å; W112-L143 HydrophobicContact CD2-CD2 4.5Å; W112-L143 HydrophobicContact CG-CD2 4.4Å; W112-L143 HydrophobicContact CZ2-CD1 3.89Å; W112-L143 HydrophobicContact CZ2-CD2 4.39Å; L143-L149 WeakPolarHBondContact CA-O 3.32Å; L143-L150 HydrophobicContact CD2-CB 4.2Å; L143-L150 HydrophobicContact CD2-CD1 4.45Å; L143-F300 HydrophobicContact CD1-CZ 4.32Å
144C92.8Very high91.9Very high7 Ų728.1 Ų28.15%0.04713%0.133CC..EExtended strand (participates in β ladder)trans-133.5173.6174.7-58.20000110.2A85 H146 G147 T148 L149A85-C144 VanDerWaalsContact CA-SG 3.6Å; A85-C144 WeakPolarHBondContact CB-SG 3.23Å; C144-H146 PolarHBondContact O-N 3.24Å; C144-G147 PolarHBondContact O-N 2.99Å; C144-G147 VanDerWaalsContact O-N 3.07Å; C144-T148 PolarHBondContact O-N 2.83Å; C144-L149 HydrophobicContact CB-CB 4.21Å; C144-L149 HydrophobicContact CB-CD2 4.24Å; C144-L149 HydrophobicContact CB-CG 4.48Å; C144-L149 PolarHBondContact N-O 3.37Å; C144-L149 PolarHBondContact O-N 3.38Å; C144-L149 VanDerWaalsContact O-N 3.08Å
145R93.3Very high91.2Very high164 Ų16425 Ų2562%0.61912%0.121SC*.THydrogen-bonded Turntrans50.555.5177.9-60.3-174.6-176.2172.82.5111.5E86 G147 T148 L149E86-R145 WeakPolarHBondContact OE1-CA 3.31Å; E86-R145 PolarHBondContact OE1-N 2.9Å; R145-G147 PolarHBondContact O-N 3.28Å; R145-T148 WeakPolarHBondContact CB-OG1 3.23Å; R145-T148 PolarHBondContact O-N 2.91Å; R145-T148 PolarHBondContact O-OG1 3Å; R145-L149 HydrophobicContact CB-CB 4.21Å; R145-L149 HydrophobicContact CG-CB 4.23Å; R145-L149 HydrophobicContact CG-CD2 4.31Å
146H91.5Very high89.9Confident120 Ų12024.8 Ų24.856%0.55612%0.121SC*.THydrogen-bonded Turntrans51.847.1-177.2-55.9-82.2000111.2C144 T148 P297 L298 F300C144-H146 PolarHBondContact O-N 3.24Å; H146-T148 PolarHBondContact O-N 3.4Å; H146-P297 HydrophobicContact CB-CB 3.84Å; H146-L298 PolarHBondContact O-N 3.16Å; H146-F300 VanDerWaalsContact C-CE2 3.41Å
147G92.8Very high88.2Confident0 Ų025.1 Ų25.10%012%0.124CC..THydrogen-bonded Turntrans762.8172.600000115.5W112 C144 R145W112-G147 PolarHBondContact NE1-O 2.91Å; C144-G147 PolarHBondContact O-N 2.99Å; C144-G147 VanDerWaalsContact O-N 3.07Å; R145-G147 PolarHBondContact O-N 3.28Å
148T94.7Very high86.1Confident37 Ų3724.5 Ų24.523%0.22712%0.122CC..THydrogen-bonded Turntrans-84.8-25.4-18061.10000113.1Q115 C144 R145 H146 P297Q115-T148 PolarHBondContact NE2-O 3.48Å; C144-T148 PolarHBondContact O-N 2.83Å; R145-T148 WeakPolarHBondContact CB-OG1 3.23Å; R145-T148 PolarHBondContact O-N 2.91Å; R145-T148 PolarHBondContact O-OG1 3Å; H146-T148 PolarHBondContact O-N 3.4Å; T148-P297 HydrophobicContact CG2-CG 4.48Å
149L96.2Very high83.4Confident13 Ų1328.6 Ų28.67%0.06815%0.149CC..EExtended strand (participates in β ladder)trans-109.2127.5-179.8-178.966.1000110.5L143 C144 R145L143-L149 WeakPolarHBondContact CA-O 3.32Å; C144-L149 HydrophobicContact CB-CB 4.21Å; C144-L149 HydrophobicContact CB-CD2 4.24Å; C144-L149 HydrophobicContact CB-CG 4.48Å; C144-L149 PolarHBondContact N-O 3.37Å; C144-L149 PolarHBondContact O-N 3.38Å; C144-L149 VanDerWaalsContact O-N 3.08Å; R145-L149 HydrophobicContact CB-CB 4.21Å; R145-L149 HydrophobicContact CG-CB 4.23Å; R145-L149 HydrophobicContact CG-CD2 4.31Å
150L97.9Very high80.9Confident0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-105.8139.4174.5-179.2150.3000110.9N63 L90 W112 Q115 C116 L141 L142 L143N63-L150 VanDerWaalsContact CA-O 3.26Å; N63-L150 WeakPolarHBondContact CA-O 3.42Å; N63-L150 WeakPolarHBondContact CB-O 3.46Å; N63-L150 PolarHBondContact ND2-O 3.25Å; L90-L150 HydrophobicContact CD2-CD1 3.9Å; W112-L150 HydrophobicContact CB-CD1 3.66Å; W112-L150 HydrophobicContact CG-CD1 4.12Å; Q115-L150 HydrophobicContact CB-CB 3.94Å; Q115-L150 HydrophobicContact CB-CD2 4.36Å; C116-L150 HydrophobicContact CB-CD2 4.03Å; L141-L150 HydrophobicContact CB-CD1 4.16Å; L141-L150 HydrophobicContact CB-CD2 4.49Å; L141-L150 HydrophobicContact CB-CG 4.37Å; L141-L150 HydrophobicContact CD1-CD1 4.19Å; L141-L150 HydrophobicContact CD2-CD2 4.26Å; L142-L150 CarbonylContact O-C 3.46Å; L142-L150 VanDerWaalsContact O-CA 3.31Å; L142-L150 WeakPolarHBondContact O-CA 3.32Å; L143-L150 HydrophobicContact CD2-CB 4.2Å; L143-L150 HydrophobicContact CD2-CD1 4.45Å
151K97.2Very high78.2Confident17 Ų1734.5 Ų34.57%0.07418%0.178CC..EExtended strand (participates in β ladder)trans-132.9131.5178.2-71.3175.4170.5-73.80112.1E62 N63 E83 L142E62-K151 PolarHBondContact O-NZ 2.72Å; N63-K151 WeakPolarHBondContact O-CA 3.5Å; E83-K151 VanDerWaalsContact CD-NZ 3.3Å; E83-K151 HydrophobicContact CG-CD 4.47Å; E83-K151 WeakPolarHBondContact OE1-CD 3.39Å; E83-K151 WeakPolarHBondContact OE1-CE 3.46Å; E83-K151 IonicContact OE1-NZ 3.19Å; E83-K151 PolarHBondContact OE1-NZ 3.45Å; E83-K151 WeakPolarHBondContact OE2-CE 3.35Å; E83-K151 IonicContact OE2-NZ 3.43Å; E83-K151 PolarHBondContact OE2-NZ 2.99Å; L142-K151 PolarHBondContact N-O 2.91Å; L142-K151 PolarHBondContact O-N 2.88Å
152I95.5Very high75.4Confident0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-79.2137.4175-57.7166.1000109.7N63 I64 V65 V120 H133 L136 L141 F155N63-I152 WeakPolarHBondContact O-CG1 3.35Å; N63-I152 PolarHBondContact O-N 3.49Å; I64-I152 HydrophobicContact CG1-CB 4.47Å; I64-I152 HydrophobicContact CG1-CD1 4.47Å; V65-I152 WeakPolarHBondContact CB-O 3.43Å; V65-I152 PolarHBondContact N-O 3.06Å; V120-I152 HydrophobicContact CG2-CD1 3.72Å; H133-I152 VanDerWaalsContact CD2-CG2 3.42Å; H133-I152 WeakPolarHBondContact CD2-CG2 3.44Å; H133-I152 VanDerWaalsContact NE2-CG2 3.32Å; H133-I152 WeakPolarHBondContact NE2-CG2 3.4Å; L136-I152 HydrophobicContact CD2-CG2 4.35Å; L141-I152 HydrophobicContact CD2-CB 4.42Å; L141-I152 HydrophobicContact CD2-CG1 3.81Å; I152-F155 HydrophobicContact CG2-CZ 4.12Å
153C90Very high72.6Confident21 Ų2136.7 Ų36.714%0.14219%0.188CC..  trans-135.7176.1174.571.10000112.3V65 H133 N140 L142V65-C153 HydrophobicContact CB-CB 4.24Å; V65-C153 HydrophobicContact CG1-CB 3.96Å; H133-C153 PolarHBondContact NE2-O 3.43Å; H133-C153 VanDerWaalsContact NE2-O 3.14Å; N140-C153 PolarHBondContact O-N 3.12Å; N140-C153 PolarHBondContact O-SG 3.15Å; N140-C153 VanDerWaalsContact O-SG 3.37Å; L142-C153 HydrophobicContact CD1-CB 3.83Å; L142-C153 HydrophobicContact CG-CB 4.22Å
154D80Confident69.9Low29 Ų2938 Ų3816%0.15520%0.195CC..  trans66.472.9174.3-156.727.1000114.9K38 G156K38-D154 IonicContact NZ-OD1 2.72Å; K38-D154 PolarHBondContact NZ-OD1 3.11Å; D154-G156 VanDerWaalsContact C-N 3.28Å; D154-G156 PolarHBondContact O-N 3.33Å
155F69.8Low67.1Low0 Ų039.1 Ų39.10%020%0.2CC..  trans-87.16.6179.9-66.4-96.6000113.1E52 Q55 L56 I64 L123 I131 H133 I152 T157 A158E52-F155 HydrophobicContact CG-CB 4.34Å; E52-F155 PolarHBondContact OE1-N 3.41Å; Q55-F155 PolarHBondContact OE1-O 3.45Å; L56-F155 HydrophobicContact CD1-CD2 4.28Å; L56-F155 HydrophobicContact CD2-CD2 3.36Å; L56-F155 HydrophobicContact CD2-CE2 3.38Å; L56-F155 HydrophobicContact CD2-CG 4.24Å; L56-F155 HydrophobicContact CD2-CZ 4.25Å; L56-F155 HydrophobicContact CG-CD2 3.78Å; L56-F155 HydrophobicContact CG-CE2 4.3Å; L56-F155 HydrophobicContact CG-CG 4.34Å; I64-F155 HydrophobicContact CG2-CE2 3.78Å; I64-F155 HydrophobicContact CG2-CZ 3.51Å; L123-F155 HydrophobicContact CD1-CE1 3.64Å; L123-F155 HydrophobicContact CD1-CZ 4.19Å; L123-F155 HydrophobicContact CD2-CE1 3.87Å; L123-F155 HydrophobicContact CD2-CZ 4.46Å; L123-F155 HydrophobicContact CG-CE1 4.42Å; I131-F155 HydrophobicContact CG2-CD1 4.45Å; H133-F155 AromaticContact CD2-CE1 3.82Å; I152-F155 HydrophobicContact CG2-CZ 4.12Å; F155-T157 PolarHBondContact O-N 3.23Å; F155-T157 VanDerWaalsContact O-N 3.15Å; F155-A158 PolarHBondContact O-N 3.02Å
156G58.8Low64.4Low7 Ų733 Ų337%0.07218%0.18CC..THydrogen-bonded Turntrans-66.2-15.4-169.900000116D154D154-G156 VanDerWaalsContact C-N 3.28Å; D154-G156 PolarHBondContact O-N 3.33Å
157T54.4Low61.9Low9 Ų928.3 Ų28.36%0.05516%0.16CC..THydrogen-bonded Turntrans-88.7-1.9-178.743.30000113.9Y22 H133 D135 F155 C159 N167Y22-T157 HydrophobicContact CE2-CG2 3.94Å; Y22-T157 WeakPolarHBondContact OH-CG2 3.37Å; H133-T157 PolarHBondContact O-OG1 2.87Å; D135-T157 HydrophobicContact CB-CG2 3.93Å; D135-T157 WeakPolarHBondContact CB-OG1 3.25Å; F155-T157 PolarHBondContact O-N 3.23Å; F155-T157 VanDerWaalsContact O-N 3.15Å; T157-C159 PolarHBondContact O-N 3.14Å; T157-N167 WeakPolarHBondContact CG2-ND2 3.3Å
158A48.2Very low59.4Low3 Ų329.3 Ų29.33%0.02517%0.165CC..THydrogen-bonded Turntrans-68.8-0.7-16700000115.8Q55 R134 F155Q55-A158 VanDerWaalsContact CD-CB 3.47Å; R134-A158 VanDerWaalsContact NH1-C 3.34Å; R134-A158 PolarHBondContact NH1-O 2.78Å; F155-A158 PolarHBondContact O-N 3.02Å
159C36.1Very low57Low86 Ų8631 Ų3158%0.58117%0.169SC*.THydrogen-bonded Turntrans-158.118.6-175.8-116.20000119.4T157T157-C159 PolarHBondContact O-N 3.14Å
160D35.6Very low55.1Low55 Ų5532 Ų3229%0.29418%0.183SC..  trans-135128.8176.9-123.3-32.4000115.3K47 Q162 S163K47-D160 WeakPolarHBondContact CE-OD2 3.41Å; K47-D160 IonicContact NZ-OD1 3.46Å; K47-D160 IonicContact NZ-OD2 2.7Å; K47-D160 PolarHBondContact NZ-OD2 3.22Å; D160-Q162 PolarHBondContact O-N 3.28Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; D160-S163 VanDerWaalsContact O-CB 3.3Å; D160-S163 WeakPolarHBondContact O-CB 3.27Å; D160-S163 PolarHBondContact O-N 2.8Å; D160-S163 PolarHBondContact O-OG 3.45Å
161L34.5Very low53.8Low122 Ų12232.1 Ų32.164%0.63918%0.183SC*.Hα-helixtrans-55.9-23.5175.9-81.2153.4000112.6
162Q34.3Very low53Low70 Ų7031.4 Ų31.433%0.32718%0.181SC..Hα-helixtrans-70.2-33.7173.3-81176.6-29.100112.9D160 I164 M165 T166 P349 T350D160-Q162 PolarHBondContact O-N 3.28Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; Q162-I164 VanDerWaalsContact C-N 3.34Å; Q162-I164 PolarHBondContact O-N 2.84Å; Q162-M165 PolarHBondContact O-N 3.49Å; Q162-T166 PolarHBondContact O-N 3.01Å; Q162-T166 PolarHBondContact O-OG1 3.13Å; Q162-P349 HydrophobicContact CG-CB 4.44Å; Q162-T350 VanDerWaalsContact NE2-CG2 3.33Å
163S37.3Very low52.7Low9 Ų931.6 Ų31.66%0.06318%0.182CC..Hα-helixtrans-66.3-32.7-17470.30000113.8Y22 D160 T166 N167Y22-S163 VanDerWaalsContact OH-CB 3.24Å; Y22-S163 WeakPolarHBondContact OH-CB 3.4Å; D160-S163 VanDerWaalsContact O-CB 3.3Å; D160-S163 WeakPolarHBondContact O-CB 3.27Å; D160-S163 PolarHBondContact O-N 2.8Å; D160-S163 PolarHBondContact O-OG 3.45Å; S163-T166 WeakPolarHBondContact CA-OG1 3.49Å; S163-T166 PolarHBondContact O-OG1 3.33Å; S163-T166 VanDerWaalsContact O-OG1 3.09Å; S163-N167 WeakPolarHBondContact O-CB 3.15Å; S163-N167 PolarHBondContact O-N 2.91Å; S163-N167 VanDerWaalsContact O-N 3.1Å
164I36.6Very low52.8Low28 Ų2831 Ų3114%0.14418%0.177CC..Hα-helixtrans-69-43.8-178.6-61.7168000109.4Q162 N168 M175 V179Q162-I164 VanDerWaalsContact C-N 3.34Å; Q162-I164 PolarHBondContact O-N 2.84Å; I164-N168 PolarHBondContact O-ND2 3.32Å; I164-N168 PolarHBondContact O-OD1 2.71Å; I164-M175 HydrophobicContact CG2-CE 4.25Å; I164-M175 HydrophobicContact CG2-SD 4.2Å; I164-V179 HydrophobicContact CD1-CG1 4.22Å
165M34.1Very low53.2Low32 Ų3230.3 Ų30.316%0.15817%0.173CC..Hα-helixtrans-76-29.4-179.5-68.3-160.775.400113.9Q162 W183 F348 P349Q162-M165 PolarHBondContact O-N 3.49Å; M165-W183 HydrophobicContact CE-CH2 4.36Å; M165-W183 HydrophobicContact CE-CZ2 3.53Å; M165-W183 HydrophobicContact SD-CZ2 3.92Å; M165-W183 PolarHBondContact SD-NE1 2.91Å; M165-W183 VanDerWaalsContact SD-NE1 3.39Å; M165-F348 HydrophobicContact CE-CB 3.91Å; M165-F348 HydrophobicContact CE-CD2 4.43Å; M165-F348 HydrophobicContact CE-CG 4.48Å; M165-F348 HydrophobicContact SD-CB 4.47Å; M165-P349 HydrophobicContact CB-CG 4.07Å; M165-P349 HydrophobicContact CG-CG 4.08Å; M165-P349 HydrophobicContact SD-CG 3.54Å; M165-P349 VanDerWaalsContact SD-CG 3.54Å
166T37.5Very low54.2Low34 Ų3430.3 Ų30.321%0.20917%0.173CC..Hα-helixtrans-75.8-36.5177.544.50000112.7Q162 S163 N168 E346Q162-T166 PolarHBondContact O-N 3.01Å; Q162-T166 PolarHBondContact O-OG1 3.13Å; S163-T166 WeakPolarHBondContact CA-OG1 3.49Å; S163-T166 PolarHBondContact O-OG1 3.33Å; S163-T166 VanDerWaalsContact O-OG1 3.09Å; T166-N168 VanDerWaalsContact C-N 3.33Å; T166-N168 PolarHBondContact O-N 3.49Å; T166-E346 HydrophobicContact CG2-CB 3.83Å; T166-E346 HydrophobicContact CG2-CG 4.03Å
167N38.5Very low55.6Low22 Ų2230.1 Ų30.112%0.11817%0.171CC..SBendtrans-85.4-0.3-177.5-83.74.6000114.5Y22 D135 T157 S163 K169 G170 S171Y22-N167 PolarHBondContact OH-ND2 3.27Å; D135-N167 PolarHBondContact OD2-ND2 2.84Å; T157-N167 WeakPolarHBondContact CG2-ND2 3.3Å; S163-N167 WeakPolarHBondContact O-CB 3.15Å; S163-N167 PolarHBondContact O-N 2.91Å; S163-N167 VanDerWaalsContact O-N 3.1Å; N167-K169 PolarHBondContact O-N 3.4Å; N167-G170 PolarHBondContact O-N 3.44Å; N167-S171 WeakPolarHBondContact O-CB 3.32Å; N167-S171 PolarHBondContact O-N 3.06Å; N167-S171 PolarHBondContact O-OG 3.31Å
168N39.2Very low57Low22 Ų2231 Ų3112%0.11817%0.174CC..Hα-helixtrans-71.8-22.5-164.5-93.2-14.9000115.3I164 T166 G170 M175 A234 M238I164-N168 PolarHBondContact O-ND2 3.32Å; I164-N168 PolarHBondContact O-OD1 2.71Å; T166-N168 VanDerWaalsContact C-N 3.33Å; T166-N168 PolarHBondContact O-N 3.49Å; N168-G170 VanDerWaalsContact C-N 3.27Å; N168-G170 PolarHBondContact O-N 3.22Å; N168-M175 WeakPolarHBondContact OD1-CE 3.11Å; N168-A234 HydrophobicContact CB-CB 4.46Å; N168-A234 WeakPolarHBondContact O-CB 3.34Å; N168-M238 HydrophobicContact CB-CE 3.63Å; N168-M238 WeakPolarHBondContact ND2-CE 3.46Å; N168-M238 VanDerWaalsContact OD1-CE 3.24Å; N168-M238 WeakPolarHBondContact OD1-CE 3.47Å
169K44.5Very low58.6Low72 Ų7231.4 Ų31.431%0.31318%0.177SC..Hα-helixtrans-65-30.3172.9-81.8-158-163.7164.80113.5N167 Y313 V345N167-K169 PolarHBondContact O-N 3.4Å; K169-Y313 WeakPolarHBondContact O-CD1 3.29Å; K169-V345 HydrophobicContact CD-CB 4.47Å; K169-V345 HydrophobicContact CD-CG1 4.37Å; K169-V345 HydrophobicContact CD-CG2 3.45Å; K169-V345 VanDerWaalsContact CD-CG2 3.45Å; K169-V345 HydrophobicContact CG-CB 4.44Å; K169-V345 HydrophobicContact CG-CG1 4.05Å; K169-V345 HydrophobicContact CG-CG2 3.9Å; K169-V345 VanDerWaalsContact NZ-CG2 3.31Å
170G57Low60.5Low34 Ų3427.6 Ų27.635%0.35115%0.15SC..Hα-helixtrans-110.2-1.9-174.900000115.8N167 N168 W174N167-G170 PolarHBondContact O-N 3.44Å; N168-G170 VanDerWaalsContact C-N 3.27Å; N168-G170 PolarHBondContact O-N 3.22Å; G170-W174 WeakPolarHBondContact O-CZ3 3.49Å
171S71.6Confident62.2Low2 Ų228 Ų281%0.01415%0.15CC..Hα-helixtrans-125.3-15-169.9-36.40000114D135 K137 N167 A173 W174 M175D135-S171 PolarHBondContact OD1-OG 2.85Å; K137-S171 PolarHBondContact NZ-OG 3.11Å; N167-S171 WeakPolarHBondContact O-CB 3.32Å; N167-S171 PolarHBondContact O-N 3.06Å; N167-S171 PolarHBondContact O-OG 3.31Å; S171-A173 PolarHBondContact O-N 3.2Å; S171-A173 VanDerWaalsContact O-N 3.11Å; S171-W174 PolarHBondContact O-N 2.83Å; S171-M175 PolarHBondContact O-N 2.82Å
172A80.5Confident63.3Low2 Ų223 Ų232%0.01713%0.128CC..G310 helixtrans-52.9-37.7-176.400000112.9W174 M175 A234 I237 M238A172-W174 VanDerWaalsContact C-N 3.26Å; A172-W174 PolarHBondContact O-N 3.37Å; A172-M175 PolarHBondContact O-N 2.99Å; A172-A234 HydrophobicContact CB-CB 4.02Å; A172-I237 HydrophobicContact CB-CB 4.05Å; A172-I237 HydrophobicContact CB-CD1 4.38Å; A172-I237 HydrophobicContact CB-CG2 4.03Å; A172-M238 HydrophobicContact CB-CE 3.71Å; A172-M238 HydrophobicContact CB-CG 4.28Å
173A88Confident64Low4 Ų423 Ų233%0.03313%0.125CC..G310 helixtrans-61.3-28.9-179.900000114.1S171 I215 P226 F227 I237S171-A173 PolarHBondContact O-N 3.2Å; S171-A173 VanDerWaalsContact O-N 3.11Å; A173-I215 WeakPolarHBondContact O-CG2 3.39Å; A173-P226 HydrophobicContact CB-CB 4.21Å; A173-F227 HydrophobicContact CB-CD2 4.07Å; A173-F227 VanDerWaalsContact O-CE2 3.27Å; A173-F227 WeakPolarHBondContact O-CE2 3.47Å; A173-I237 HydrophobicContact CB-CD1 4.36Å
174W92.2Very high64.3Low8 Ų824.6 Ų24.63%0.0313%0.133CC..G310 helixtrans-105.5-0.4179.1-60-93.2000112.8L136 K137 G170 S171 A172 S212 I215 E219 P226L136-W174 WeakPolarHBondContact O-CB 3.41Å; K137-W174 HydrophobicContact CB-CB 4.21Å; K137-W174 HydrophobicContact CB-CD2 3.64Å; K137-W174 HydrophobicContact CB-CE3 3.84Å; K137-W174 HydrophobicContact CB-CG 3.8Å; K137-W174 HydrophobicContact CB-CZ3 4.49Å; K137-W174 HydrophobicContact CD-CE3 4.43Å; G170-W174 WeakPolarHBondContact O-CZ3 3.49Å; S171-W174 PolarHBondContact O-N 2.83Å; A172-W174 VanDerWaalsContact C-N 3.26Å; A172-W174 PolarHBondContact O-N 3.37Å; W174-S212 WeakPolarHBondContact O-CA 3.47Å; W174-S212 WeakPolarHBondContact O-CB 3.48Å; W174-S212 PolarHBondContact O-OG 3.17Å; W174-I215 VanDerWaalsContact CD1-CG2 3.41Å; W174-I215 HydrophobicContact CG-CG2 4.05Å; W174-E219 VanDerWaalsContact CE2-OE2 3.29Å; W174-E219 VanDerWaalsContact CZ2-OE2 3.26Å; W174-E219 WeakPolarHBondContact CZ2-OE2 3.06Å; W174-E219 PolarHBondContact NE1-OE2 3.44Å; W174-P226 HydrophobicContact CZ2-CG 4.17Å
175M88.9Confident64.4Low15 Ų1525.9 Ų25.97%0.07414%0.144CC..  trans-83.7130.7-171.9-169173.9-65.900111.3I164 N168 S171 A172 V179 F180 Y211I164-M175 HydrophobicContact CG2-CE 4.25Å; I164-M175 HydrophobicContact CG2-SD 4.2Å; N168-M175 WeakPolarHBondContact OD1-CE 3.11Å; S171-M175 PolarHBondContact O-N 2.82Å; A172-M175 PolarHBondContact O-N 2.99Å; M175-V179 HydrophobicContact CG-CB 3.87Å; M175-V179 HydrophobicContact CG-CG1 3.89Å; M175-V179 HydrophobicContact SD-CB 4.25Å; M175-V179 HydrophobicContact SD-CG1 3.8Å; M175-F180 HydrophobicContact CB-CD1 4.37Å; M175-F180 HydrophobicContact CG-CD1 3.95Å; M175-F180 HydrophobicContact SD-CB 4.17Å; M175-F180 HydrophobicContact SD-CD1 3.96Å; M175-Y211 VanDerWaalsContact O-CE1 3.28Å; M175-Y211 WeakPolarHBondContact O-CE1 3.48Å
176A90.3Very high64.7Low1 Ų131.3 Ų31.31%0.00817%0.167CC..  trans-68.6144.917700000111.8E178 V179 F180 C208 Y211A176-E178 VanDerWaalsContact C-N 3.33Å; A176-E178 WeakPolarHBondContact CB-OE1 3.4Å; A176-E178 WeakPolarHBondContact CB-OE2 3.49Å; A176-E178 PolarHBondContact O-N 3.15Å; A176-V179 HydrophobicContact CB-CG2 4.06Å; A176-V179 WeakPolarHBondContact O-CB 3.48Å; A176-V179 PolarHBondContact O-N 3.34Å; A176-F180 WeakPolarHBondContact O-CD1 3.4Å; A176-C208 HydrophobicContact CB-CB 3.94Å; A176-Y211 HydrophobicContact CB-CD1 3.89Å; A176-Y211 HydrophobicContact CB-CD2 4.11Å; A176-Y211 HydrophobicContact CB-CG 3.59Å
177P88.3Confident64.7Low2 Ų233.4 Ų33.41%0.01317%0.172CC..Hα-helixtrans-56-43.1-175.818.9-30.5000113.7V179 F180 E181 V241P177-V179 PolarHBondContact O-N 3.36Å; P177-V179 VanDerWaalsContact O-N 3.12Å; P177-F180 VanDerWaalsContact CA-CZ 3.46Å; P177-F180 HydrophobicContact CB-CE2 4.45Å; P177-F180 HydrophobicContact CB-CZ 4.04Å; P177-F180 PolarHBondContact O-N 3.45Å; P177-E181 WeakPolarHBondContact CB-OE1 3.42Å; P177-E181 VanDerWaalsContact O-CB 3.29Å; P177-E181 WeakPolarHBondContact O-CB 3.39Å; P177-E181 VanDerWaalsContact O-CG 3.23Å; P177-E181 WeakPolarHBondContact O-CG 3.46Å; P177-E181 PolarHBondContact O-N 3.4Å; P177-V241 HydrophobicContact CB-CG1 4.21Å; P177-V241 HydrophobicContact CG-CG1 4.46Å
178E84.3Confident64.6Low27 Ų2739.2 Ų39.213%0.12620%0.203CC..Hα-helixtrans-64-21.8-178.772.3-76.1-178.700113.8A176 G182 P269 R272A176-E178 VanDerWaalsContact C-N 3.33Å; A176-E178 WeakPolarHBondContact CB-OE1 3.4Å; A176-E178 WeakPolarHBondContact CB-OE2 3.49Å; A176-E178 PolarHBondContact O-N 3.15Å; E178-G182 PolarHBondContact O-N 3.12Å; E178-G182 VanDerWaalsContact O-N 3.14Å; E178-P269 HydrophobicContact CB-CG 4.33Å; E178-P269 HydrophobicContact CG-CG 3.92Å; E178-R272 VanDerWaalsContact CD-NH1 3.35Å; E178-R272 IonicContact OE1-CZ 3.46Å; E178-R272 IonicContact OE1-NH1 2.77Å; E178-R272 PolarHBondContact OE1-NH1 2.78Å; E178-R272 IonicContact OE1-NH2 2.82Å; E178-R272 IonicContact OE2-CZ 3.79Å; E178-R272 IonicContact OE2-NH1 2.79Å; E178-R272 PolarHBondContact OE2-NH1 3.26Å; E178-R272 IonicContact OE2-NH2 3.54Å; E178-R272 PolarHBondContact OE2-NH2 2.73Å
179V80.6Confident64.5Low13 Ų1344.5 Ų44.58%0.07923%0.225CC..Hα-helixtrans-70.6-39.6178.81780000110.6I164 M175 A176 P177 C208I164-V179 HydrophobicContact CD1-CG1 4.22Å; M175-V179 HydrophobicContact CG-CB 3.87Å; M175-V179 HydrophobicContact CG-CG1 3.89Å; M175-V179 HydrophobicContact SD-CB 4.25Å; M175-V179 HydrophobicContact SD-CG1 3.8Å; A176-V179 HydrophobicContact CB-CG2 4.06Å; A176-V179 WeakPolarHBondContact O-CB 3.48Å; A176-V179 PolarHBondContact O-N 3.34Å; P177-V179 PolarHBondContact O-N 3.36Å; P177-V179 VanDerWaalsContact O-N 3.12Å; V179-C208 HydrophobicContact CG2-CB 3.61Å
180F75.8Confident64.1Low6 Ų645.8 Ų45.83%0.02624%0.242CC..Hα-helixtrans-98.9-19.1177.461.1-108000113.6M175 A176 P177 W183 L184 M238 V241 H242M175-F180 HydrophobicContact CB-CD1 4.37Å; M175-F180 HydrophobicContact CG-CD1 3.95Å; M175-F180 HydrophobicContact SD-CB 4.17Å; M175-F180 HydrophobicContact SD-CD1 3.96Å; A176-F180 WeakPolarHBondContact O-CD1 3.4Å; P177-F180 VanDerWaalsContact CA-CZ 3.46Å; P177-F180 HydrophobicContact CB-CE2 4.45Å; P177-F180 HydrophobicContact CB-CZ 4.04Å; P177-F180 PolarHBondContact O-N 3.45Å; F180-W183 VanDerWaalsContact O-CB 3.23Å; F180-W183 WeakPolarHBondContact O-CB 3.09Å; F180-W183 PolarHBondContact O-N 2.89Å; F180-L184 PolarHBondContact O-N 3.48Å; F180-M238 HydrophobicContact CB-SD 4.18Å; F180-M238 HydrophobicContact CD1-CB 4.41Å; F180-M238 HydrophobicContact CD1-CG 3.88Å; F180-M238 HydrophobicContact CD2-CB 4.08Å; F180-M238 HydrophobicContact CD2-CG 4.28Å; F180-M238 HydrophobicContact CE1-CB 4.28Å; F180-M238 HydrophobicContact CE1-CG 4.04Å; F180-M238 HydrophobicContact CE2-CB 3.98Å; F180-M238 HydrophobicContact CE2-CG 4.46Å; F180-M238 WeakPolarHBondContact CE2-O 3.33Å; F180-M238 HydrophobicContact CG-CB 4.3Å; F180-M238 HydrophobicContact CG-CG 3.98Å; F180-M238 HydrophobicContact CG-SD 4.27Å; F180-M238 HydrophobicContact CZ-CB 4.04Å; F180-M238 HydrophobicContact CZ-CG 4.31Å; F180-M238 VanDerWaalsContact CZ-O 3.29Å; F180-M238 WeakPolarHBondContact CZ-O 3.49Å; F180-V241 HydrophobicContact CE1-CB 4.39Å; F180-V241 HydrophobicContact CE1-CG1 4.05Å; F180-V241 HydrophobicContact CZ-CB 3.92Å; F180-V241 HydrophobicContact CZ-CG1 3.75Å; F180-H242 HydrophobicContact CE2-CB 4.11Å
181E71.6Confident62.8Low62 Ų6251.4 Ų51.429%0.2926%0.264SS..Hα-helixtrans-73.2-33.2171.2-75.2172.3-170.400112.2P177 W183 L184 S185 H242P177-E181 WeakPolarHBondContact CB-OE1 3.42Å; P177-E181 VanDerWaalsContact O-CB 3.29Å; P177-E181 WeakPolarHBondContact O-CB 3.39Å; P177-E181 VanDerWaalsContact O-CG 3.23Å; P177-E181 WeakPolarHBondContact O-CG 3.46Å; P177-E181 PolarHBondContact O-N 3.4Å; E181-W183 PolarHBondContact O-N 3.17Å; E181-W183 VanDerWaalsContact O-N 3.08Å; E181-L184 HydrophobicContact CG-CD1 4.47Å; E181-L184 PolarHBondContact O-N 3Å; E181-S185 PolarHBondContact O-N 3.29Å; E181-H242 VanDerWaalsContact CD-ND1 3.33Å; E181-H242 WeakPolarHBondContact CG-ND1 3.26Å; E181-H242 IonicContact OE1-CE1 3.51Å; E181-H242 PolarHBondContact OE1-CE1 3.32Å; E181-H242 IonicContact OE1-CG 2.85Å; E181-H242 IonicContact OE1-ND1 3.45Å; E181-H242 PolarHBondContact OE1-ND1 3.4Å
182G58Low61.1Low18 Ų1853.8 Ų53.819%0.18628%0.284CS..Hα-helixtrans-56.8-23.1169.400000112.5E178 S202E178-G182 PolarHBondContact O-N 3.12Å; E178-G182 VanDerWaalsContact O-N 3.14Å; G182-S202 WeakPolarHBondContact CA-OG 3.38Å
183W49Very low58.8Low69 Ų6962.3 Ų62.326%0.26133%0.328SS..Hα-helixtrans-81.8-43.2172.1179.287.7000112M165 F180 E181 S185 K186 Y187 L359M165-W183 HydrophobicContact CE-CH2 4.36Å; M165-W183 HydrophobicContact CE-CZ2 3.53Å; M165-W183 HydrophobicContact SD-CZ2 3.92Å; M165-W183 PolarHBondContact SD-NE1 2.91Å; M165-W183 VanDerWaalsContact SD-NE1 3.39Å; F180-W183 VanDerWaalsContact O-CB 3.23Å; F180-W183 WeakPolarHBondContact O-CB 3.09Å; F180-W183 PolarHBondContact O-N 2.89Å; E181-W183 PolarHBondContact O-N 3.17Å; E181-W183 VanDerWaalsContact O-N 3.08Å; W183-S185 PolarHBondContact O-N 3.39Å; W183-K186 PolarHBondContact O-N 3.46Å; W183-Y187 HydrophobicContact CD2-CE2 4.21Å; W183-Y187 AromaticContact CE2-CE2 3.7Å; W183-Y187 HydrophobicContact CH2-CE2 4.13Å; W183-Y187 AromaticContact CZ2-CE2 3.66Å; W183-Y187 HydrophobicContact CZ2-CE2 3.66Å; W183-Y187 WeakPolarHBondContact O-CD2 3.28Å; W183-L359 HydrophobicContact CH2-CD2 4.08Å; W183-L359 HydrophobicContact CZ3-CD1 4.24Å; W183-L359 HydrophobicContact CZ3-CD2 4.24Å
184L43.3Very low56Low44 Ų4467.3 Ų67.323%0.2336%0.361CS..Hα-helixtrans-61.8-41.8175.8-66.4172.2000113.1F180 E181 K186 Y187 D188 L359F180-L184 PolarHBondContact O-N 3.48Å; E181-L184 HydrophobicContact CG-CD1 4.47Å; E181-L184 PolarHBondContact O-N 3Å; L184-K186 PolarHBondContact O-N 3.34Å; L184-K186 VanDerWaalsContact O-N 3.14Å; L184-Y187 WeakPolarHBondContact O-CB 3.2Å; L184-Y187 PolarHBondContact O-N 2.97Å; L184-D188 PolarHBondContact O-N 3.47Å; L184-L359 HydrophobicContact CD2-CD1 3.58Å
185S38.7Very low53Low54 Ų5474.5 Ų74.538%0.37840%0.4SS..Hα-helixtrans-62.7-23.4-179.6-178.20000113.6E181 W183 Y187 K189E181-S185 PolarHBondContact O-N 3.29Å; W183-S185 PolarHBondContact O-N 3.39Å; S185-Y187 VanDerWaalsContact C-N 3.33Å; S185-K189 WeakPolarHBondContact O-CG 3.37Å; S185-K189 PolarHBondContact O-N 2.92Å
186K40.9Very low50Low146 Ų14678 Ų7864%0.63544%0.44SS*.Hα-helixtrans-73.8-23.6173-101.3-176.2177.8-179.90113W183 L184W183-K186 PolarHBondContact O-N 3.46Å; L184-K186 PolarHBondContact O-N 3.34Å; L184-K186 VanDerWaalsContact O-N 3.14Å
187Y36.7Very low46.9Very low79 Ų7980.9 Ų80.931%0.3147%0.471SS..Hα-helixtrans-78.8-34.1175.9-79.6-90.1000112W183 L184 S185 Q356W183-Y187 HydrophobicContact CD2-CE2 4.21Å; W183-Y187 AromaticContact CE2-CE2 3.7Å; W183-Y187 HydrophobicContact CH2-CE2 4.13Å; W183-Y187 AromaticContact CZ2-CE2 3.66Å; W183-Y187 HydrophobicContact CZ2-CE2 3.66Å; W183-Y187 WeakPolarHBondContact O-CD2 3.28Å; L184-Y187 WeakPolarHBondContact O-CB 3.2Å; L184-Y187 PolarHBondContact O-N 2.97Å; S185-Y187 VanDerWaalsContact C-N 3.33Å; Y187-Q356 PolarHBondContact OH-OE1 3.25Å
188D37.6Very low43.9Very low143 Ų14387.8 Ų87.877%0.76551%0.507SS*.Hα-helixtrans-82.4-16.9179.2-81.3-22.1000115L184 C190L184-D188 PolarHBondContact O-N 3.47Å; D188-C190 PolarHBondContact O-N 2.93Å
189K37.7Very low41.4Very low133 Ų13392.9 Ų92.958%0.57855%0.546SS*.  trans-81.163.5178.6-80.1179.2171.9-1780112.7S185 A192S185-K189 WeakPolarHBondContact O-CG 3.37Å; S185-K189 PolarHBondContact O-N 2.92Å; K189-A192 HydrophobicContact CB-CB 4.17Å; K189-A192 HydrophobicContact CD-CB 3.67Å; K189-A192 HydrophobicContact CG-CB 3.74Å
190C36.2Very low39.1Very low99 Ų9998 Ų9867%0.66957%0.572SS**SBendtrans-81.12.8149.8-74.10000112.5D188D188-C190 PolarHBondContact O-N 2.93Å
191N29.6Very low37.1Very low152 Ų152100.2 Ų100.281%0.81360%0.597SS**SBendtrans-128.419.6-177.9-87.5-19000115.9
192A35.8Very low35.6Very low53 Ų53100.1 Ų100.144%0.43860%0.603SS.*  trans-120.260.917600000112.1K189K189-A192 HydrophobicContact CB-CB 4.17Å; K189-A192 HydrophobicContact CD-CB 3.67Å; K189-A192 HydrophobicContact CG-CB 3.74Å
193L31Very low35.1Very low181 Ų181107.4 Ų107.495%0.94863%0.63SS**  trans-97.115.2164.1-80.5170.7000112.4
194C29.5Very low35.6Very low108 Ų108106.9 Ų106.973%0.7363%0.628SS**  trans-126.863.9-177.920.40000110.4
195D28.6Very low37.1Very low159 Ų159107.1 Ų107.185%0.8563%0.629SS**  trans-162.5115.2132.2-119.9-15000109.9G197D195-G197 PolarHBondContact O-N 3.2Å
196G27.1Very low39.5Very low89 Ų89107.6 Ų107.692%0.91863%0.626SS**  trans-70.496170.300000109.4
197G25.6Very low42Very low62 Ų62101.9 Ų101.964%0.63960%0.601SS**SBendtrans173.7101.6174.800000113D195D195-G197 PolarHBondContact O-N 3.2Å
198N24.7Very low44.7Very low146 Ų14698.2 Ų98.278%0.78159%0.587SS**  trans53.3115.5171.6-72.1-15.1000116.6L200N198-L200 HydrophobicContact CB-CD1 4.18Å; N198-L200 PolarHBondContact O-N 2.95Å
199S30.7Very low47.3Very low135 Ų13591.4 Ų91.494%0.94455%0.55SS**  trans-61.773.3155.7-52.40000110.5G201S199-G201 PolarHBondContact O-N 2.69Å
200L32.6Very low50.2Low119 Ų11985 Ų8562%0.62352%0.523SS*.  trans-69.178.5155.5-114.381.9000105.5N198 S202 K203N198-L200 HydrophobicContact CB-CD1 4.18Å; N198-L200 PolarHBondContact O-N 2.95Å; L200-S202 PolarHBondContact O-N 3.24Å; L200-S202 VanDerWaalsContact O-N 3.17Å; L200-K203 HydrophobicContact CD2-CD 4.39Å
201G34.9Very low53.1Low54 Ų5480.3 Ų80.356%0.55749%0.491SS*.  trans-49.3126.5158.800000106.3S199 K203S199-G201 PolarHBondContact O-N 2.69Å; G201-K203 WeakPolarHBondContact O-CA 3.25Å; G201-K203 PolarHBondContact O-N 2.93Å
202S39.6Very low56.3Low59 Ų5973.3 Ų73.341%0.41345%0.454SS..  trans-2499.6-178.7-26.10000109.5G182 L200 Y204G182-S202 WeakPolarHBondContact CA-OG 3.38Å; L200-S202 PolarHBondContact O-N 3.24Å; L200-S202 VanDerWaalsContact O-N 3.17Å; S202-Y204 WeakPolarHBondContact O-CD1 3.32Å; S202-Y204 PolarHBondContact O-N 3.46Å
203K47Very low59.2Low172 Ų17270.8 Ų70.875%0.74843%0.433SS*.  trans-76.972.8-170.8-133.8-172.6-174.2-1740106.1L200 G201 D205L200-K203 HydrophobicContact CD2-CD 4.39Å; G201-K203 WeakPolarHBondContact O-CA 3.25Å; G201-K203 PolarHBondContact O-N 2.93Å; K203-D205 PolarHBondContact O-N 3.3Å
204Y60Low62.5Low58 Ų5862.1 Ų62.123%0.22739%0.388CS..  trans-63.5121.3168.452-92000106.4R134 S202R134-Y204 HydrophobicContact CG-CE2 4.29Å; R134-Y204 VanDerWaalsContact CZ-CE2 3.44Å; R134-Y204 PolarHBondContact NH1-OH 2.93Å; R134-Y204 VanDerWaalsContact NH1-OH 3.14Å; S202-Y204 WeakPolarHBondContact O-CD1 3.32Å; S202-Y204 PolarHBondContact O-N 3.46Å
205D75.7Confident65.7Low48 Ų4857 Ų5726%0.25735%0.353SS..  trans-91.1-172-172.959.88.2000109.5K203 K207 C208K203-D205 PolarHBondContact O-N 3.3Å; D205-K207 PolarHBondContact O-N 3.41Å; D205-K207 WeakPolarHBondContact OD1-CB 3.11Å; D205-K207 VanDerWaalsContact OD1-CG 3.23Å; D205-K207 WeakPolarHBondContact OD1-CG 3.37Å; D205-K207 PolarHBondContact OD1-N 2.89Å; D205-K207 WeakPolarHBondContact OD2-CG 3.38Å; D205-C208 PolarHBondContact O-N 3.28Å; D205-C208 PolarHBondContact O-SG 3.16Å; D205-C208 VanDerWaalsContact O-SG 3.41Å
206E88.6Confident69Low65 Ų6549.5 Ų49.530%0.30431%0.313SS..THydrogen-bonded Turntrans-60.3-10.1175.273-74.1163.900114H124 V132 C208 D209H124-E206 PolarHBondContact CE1-O 3.15Å; V132-E206 HydrophobicContact CG2-CB 4.09Å; E206-C208 VanDerWaalsContact C-N 3.29Å; E206-C208 PolarHBondContact O-N 3.09Å; E206-D209 WeakPolarHBondContact O-CB 3.25Å; E206-D209 PolarHBondContact O-N 3.08Å
207K93.5Very high72.3Confident25 Ų2545.2 Ų45.211%0.10927%0.269CS..Hα-helixtrans-76.9-11.8-178.1-51.9-64-167.271.50113.6D205 D209 V210 Y211 P269 R272D205-K207 PolarHBondContact O-N 3.41Å; D205-K207 WeakPolarHBondContact OD1-CB 3.11Å; D205-K207 VanDerWaalsContact OD1-CG 3.23Å; D205-K207 WeakPolarHBondContact OD1-CG 3.37Å; D205-K207 PolarHBondContact OD1-N 2.89Å; D205-K207 WeakPolarHBondContact OD2-CG 3.38Å; K207-D209 VanDerWaalsContact C-N 3.29Å; K207-V210 HydrophobicContact CD-CG2 4.17Å; K207-V210 WeakPolarHBondContact O-CB 3.36Å; K207-V210 PolarHBondContact O-N 3.35Å; K207-Y211 PolarHBondContact O-N 3.35Å; K207-Y211 VanDerWaalsContact O-N 3.12Å; K207-P269 HydrophobicContact CB-CB 4.06Å; K207-P269 PolarHBondContact NZ-O 2.73Å; K207-R272 HydrophobicContact CB-CB 4.45Å; K207-R272 HydrophobicContact CD-CB 4.4Å; K207-R272 PolarHBondContact NZ-O 3.49Å; K207-R272 WeakPolarHBondContact O-CD 3.48Å; K207-R272 PolarHBondContact O-NH1 3.45Å
208C91.9Very high75.8Confident2 Ų242.5 Ų42.51%0.01424%0.239CC..Hα-helixtrans-66.2-36.7169.867.50000111A176 V179 D205 E206 V210 Y211 S212A176-C208 HydrophobicContact CB-CB 3.94Å; V179-C208 HydrophobicContact CG2-CB 3.61Å; D205-C208 PolarHBondContact O-N 3.28Å; D205-C208 PolarHBondContact O-SG 3.16Å; D205-C208 VanDerWaalsContact O-SG 3.41Å; E206-C208 VanDerWaalsContact C-N 3.29Å; E206-C208 PolarHBondContact O-N 3.09Å; C208-V210 VanDerWaalsContact C-N 3.27Å; C208-V210 PolarHBondContact O-N 2.91Å; C208-Y211 WeakPolarHBondContact O-CB 3.34Å; C208-Y211 PolarHBondContact O-N 2.78Å; C208-S212 PolarHBondContact O-N 3.39Å; C208-S212 PolarHBondContact O-OG 3.12Å
209D93.9Very high79.1Confident0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-65.5-33.4174.1-69.6-20.2000111.6V120 H124 V132 H133 R134 L136 E206 K207 S212 W213V120-D209 HydrophobicContact CG1-CB 3.9Å; H124-D209 IonicContact CD2-OD2 3.31Å; H124-D209 IonicContact CE1-OD2 2.69Å; H124-D209 IonicContact NE2-OD2 3.66Å; H124-D209 PolarHBondContact NE2-OD2 2.7Å; V132-D209 WeakPolarHBondContact CG1-OD2 3.41Å; H133-D209 WeakPolarHBondContact CB-OD1 3.21Å; H133-D209 PolarHBondContact N-OD1 3.14Å; H133-D209 PolarHBondContact N-OD2 2.59Å; R134-D209 PolarHBondContact N-OD1 2.9Å; L136-D209 HydrophobicContact CD1-CB 3.6Å; E206-D209 WeakPolarHBondContact O-CB 3.25Å; E206-D209 PolarHBondContact O-N 3.08Å; K207-D209 VanDerWaalsContact C-N 3.29Å; D209-S212 PolarHBondContact O-N 2.98Å; D209-W213 WeakPolarHBondContact O-CB 3.33Å; D209-W213 PolarHBondContact O-N 3.3Å
210V97.7Very high82.2Confident0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-65.8-40.9175.3-178.20000111.1K207 C208 W213 G214 C264 R272 P273 M275 V278K207-V210 HydrophobicContact CD-CG2 4.17Å; K207-V210 WeakPolarHBondContact O-CB 3.36Å; K207-V210 PolarHBondContact O-N 3.35Å; C208-V210 VanDerWaalsContact C-N 3.27Å; C208-V210 PolarHBondContact O-N 2.91Å; V210-W213 PolarHBondContact O-N 2.92Å; V210-G214 PolarHBondContact O-N 2.6Å; V210-C264 HydrophobicContact CG1-CB 4.02Å; V210-R272 HydrophobicContact CB-CB 4.49Å; V210-R272 HydrophobicContact CG1-CB 4.05Å; V210-P273 HydrophobicContact CG1-CG 4.18Å; V210-M275 HydrophobicContact CB-CE 4.32Å; V210-M275 HydrophobicContact CG2-CE 3.83Å; V210-V278 HydrophobicContact CG1-CG2 4.45Å
211Y97.2Very high85.2Confident0 Ų025.2 Ų25.20%014%0.136CC..Hα-helixtrans-59.4-52.4172.8-179.3-77.5000111.1M175 A176 K207 C208 W213 G214 I215 V241 C264 W265M175-Y211 VanDerWaalsContact O-CE1 3.28Å; M175-Y211 WeakPolarHBondContact O-CE1 3.48Å; A176-Y211 HydrophobicContact CB-CD1 3.89Å; A176-Y211 HydrophobicContact CB-CD2 4.11Å; A176-Y211 HydrophobicContact CB-CG 3.59Å; K207-Y211 PolarHBondContact O-N 3.35Å; K207-Y211 VanDerWaalsContact O-N 3.12Å; C208-Y211 WeakPolarHBondContact O-CB 3.34Å; C208-Y211 PolarHBondContact O-N 2.78Å; Y211-W213 VanDerWaalsContact C-N 3.26Å; Y211-W213 PolarHBondContact O-N 3.16Å; Y211-G214 WeakPolarHBondContact O-CA 3.03Å; Y211-G214 PolarHBondContact O-N 3.41Å; Y211-I215 HydrophobicContact CD1-CG1 4.08Å; Y211-I215 HydrophobicContact CE1-CD1 4.09Å; Y211-I215 HydrophobicContact CE1-CG1 3.62Å; Y211-I215 PolarHBondContact O-N 3.36Å; Y211-I215 VanDerWaalsContact O-N 3.15Å; Y211-V241 VanDerWaalsContact OH-CG1 3.29Å; Y211-V241 WeakPolarHBondContact OH-CG1 3.4Å; Y211-C264 VanDerWaalsContact CA-O 3.25Å; Y211-C264 WeakPolarHBondContact CA-O 3.35Å; Y211-C264 PolarHBondContact N-O 3.19Å; Y211-W265 VanDerWaalsContact CD2-CA 3.49Å; Y211-W265 HydrophobicContact CD2-CB 3.87Å; Y211-W265 HydrophobicContact CE2-CB 3.75Å; Y211-W265 WeakPolarHBondContact CE2-O 3.34Å; Y211-W265 HydrophobicContact CG-CB 4.46Å
212S96.1Very high88Confident4 Ų423.1 Ų23.13%0.02811%0.114CC..Hα-helixtrans-57.3-42.4179.3-58.30000111.5L136 W174 C208 D209 G214 I215 I216L136-S212 WeakPolarHBondContact O-CB 3.43Å; W174-S212 WeakPolarHBondContact O-CA 3.47Å; W174-S212 WeakPolarHBondContact O-CB 3.48Å; W174-S212 PolarHBondContact O-OG 3.17Å; C208-S212 PolarHBondContact O-N 3.39Å; C208-S212 PolarHBondContact O-OG 3.12Å; D209-S212 PolarHBondContact O-N 2.98Å; S212-G214 VanDerWaalsContact C-N 3.33Å; S212-G214 PolarHBondContact O-N 3Å; S212-I215 PolarHBondContact O-N 2.95Å; S212-I216 VanDerWaalsContact O-CG1 3.25Å; S212-I216 WeakPolarHBondContact O-CG1 3.34Å; S212-I216 PolarHBondContact O-N 2.97Å
213W98.3Very high90.5Very high0 Ų024.1 Ų24.10%011%0.109CC..Hα-helixtrans-59.9-40.7175.1-174.694.4000112.8A113 A117 D209 V210 Y211 I215 I216 L217 L260 C264 M275 V278 V282A113-W213 HydrophobicContact CB-CZ2 3.78Å; A113-W213 PolarHBondContact O-NE1 3.08Å; A117-W213 HydrophobicContact CB-CZ2 4.39Å; D209-W213 WeakPolarHBondContact O-CB 3.33Å; D209-W213 PolarHBondContact O-N 3.3Å; V210-W213 PolarHBondContact O-N 2.92Å; Y211-W213 VanDerWaalsContact C-N 3.26Å; Y211-W213 PolarHBondContact O-N 3.16Å; W213-I215 VanDerWaalsContact C-N 3.33Å; W213-I215 PolarHBondContact O-N 2.97Å; W213-I216 PolarHBondContact O-N 3.5Å; W213-L217 HydrophobicContact CE3-CB 4.46Å; W213-L217 HydrophobicContact CH2-CB 4.23Å; W213-L217 HydrophobicContact CH2-CD1 4.47Å; W213-L217 HydrophobicContact CH2-CD2 3.64Å; W213-L217 HydrophobicContact CH2-CG 4.32Å; W213-L217 HydrophobicContact CZ3-CB 4.15Å; W213-L217 HydrophobicContact CZ3-CD2 3.73Å; W213-L217 PolarHBondContact O-N 3.4Å; W213-L260 HydrophobicContact CH2-CD2 4.11Å; W213-L260 HydrophobicContact CZ3-CD2 4.25Å; W213-C264 HydrophobicContact CE3-CB 4.43Å; W213-M275 HydrophobicContact CB-CE 3.87Å; W213-M275 HydrophobicContact CG-CE 4.18Å; W213-M275 HydrophobicContact CG-SD 4.35Å; W213-V278 HydrophobicContact CD2-CG1 3.91Å; W213-V278 HydrophobicContact CE3-CG1 3.73Å; W213-V278 HydrophobicContact CH2-CG1 3.46Å; W213-V278 VanDerWaalsContact CH2-CG1 3.46Å; W213-V278 HydrophobicContact CZ2-CG1 3.63Å; W213-V278 HydrophobicContact CZ3-CG1 3.52Å; W213-V282 HydrophobicContact CH2-CG2 3.47Å; W213-V282 VanDerWaalsContact CH2-CG2 3.47Å; W213-V282 HydrophobicContact CZ2-CG2 3.72Å
214G98.4Very high92.6Very high0 Ų019.2 Ų19.20%09%0.086CC..Hα-helixtrans-59.7-42.2175.600000112.7V210 Y211 S212 L217 W218V210-G214 PolarHBondContact O-N 2.6Å; Y211-G214 WeakPolarHBondContact O-CA 3.03Å; Y211-G214 PolarHBondContact O-N 3.41Å; S212-G214 VanDerWaalsContact C-N 3.33Å; S212-G214 PolarHBondContact O-N 3Å; G214-L217 PolarHBondContact O-N 3.37Å; G214-W218 PolarHBondContact O-N 3.2Å; G214-W218 VanDerWaalsContact O-N 3.17Å
215I97.6Very high93.8Very high0 Ų017 Ų170%08%0.077CC..Hα-helixtrans-67.4-41.8175.5-58.2-68.8000111.2A173 W174 Y211 S212 W213 L217 W218 E219 P226 F227 P247 W265A173-I215 WeakPolarHBondContact O-CG2 3.39Å; W174-I215 VanDerWaalsContact CD1-CG2 3.41Å; W174-I215 HydrophobicContact CG-CG2 4.05Å; Y211-I215 HydrophobicContact CD1-CG1 4.08Å; Y211-I215 HydrophobicContact CE1-CD1 4.09Å; Y211-I215 HydrophobicContact CE1-CG1 3.62Å; Y211-I215 PolarHBondContact O-N 3.36Å; Y211-I215 VanDerWaalsContact O-N 3.15Å; S212-I215 PolarHBondContact O-N 2.95Å; W213-I215 VanDerWaalsContact C-N 3.33Å; W213-I215 PolarHBondContact O-N 2.97Å; I215-L217 PolarHBondContact O-N 3.35Å; I215-W218 WeakPolarHBondContact O-CB 3.24Å; I215-W218 PolarHBondContact O-N 3.38Å; I215-E219 WeakPolarHBondContact O-CB 3.49Å; I215-E219 PolarHBondContact O-N 2.82Å; I215-P226 HydrophobicContact CG2-CB 3.72Å; I215-P226 HydrophobicContact CG2-CG 3.54Å; I215-F227 HydrophobicContact CD1-CE2 4.22Å; I215-F227 HydrophobicContact CD1-CZ 4.36Å; I215-P247 HydrophobicContact CD1-CG 3.86Å; I215-W265 HydrophobicContact CD1-CB 4.45Å; I215-W265 HydrophobicContact CD1-CD2 4.43Å; I215-W265 HydrophobicContact CD1-CE3 3.64Å; I215-W265 HydrophobicContact CD1-CZ3 4.2Å; I215-W265 HydrophobicContact CG1-CE3 4.42Å
216I97.5Very high94.5Very high1 Ų114.7 Ų14.71%0.0057%0.065CC..Hα-helixtrans-61-43.9176.4-67.3164.9000110.7L136 T138 L141 S212 W213 W218 E219 L220L136-I216 HydrophobicContact CB-CD1 4.19Å; T138-I216 HydrophobicContact CG2-CG1 4.43Å; T138-I216 HydrophobicContact CG2-CG2 4.04Å; L141-I216 HydrophobicContact CD1-CD1 4.11Å; L141-I216 HydrophobicContact CD1-CG2 4Å; S212-I216 VanDerWaalsContact O-CG1 3.25Å; S212-I216 WeakPolarHBondContact O-CG1 3.34Å; S212-I216 PolarHBondContact O-N 2.97Å; W213-I216 PolarHBondContact O-N 3.5Å; I216-W218 VanDerWaalsContact C-N 3.3Å; I216-W218 PolarHBondContact O-N 3.46Å; I216-E219 PolarHBondContact O-N 3.25Å; I216-L220 HydrophobicContact CG2-CD1 4.03Å; I216-L220 HydrophobicContact CG2-CG 4.46Å; I216-L220 VanDerWaalsContact O-CG 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.3Å; I216-L220 PolarHBondContact O-N 3.43Å; I216-L220 VanDerWaalsContact O-N 3.07Å
217L97.8Very high94.5Very high0 Ų011.9 Ų11.90%05%0.052CC..Hα-helixtrans-59.4-44176.4177.465.9000111L110 A113 W213 G214 I215 L220 L221 L257 M261L110-L217 HydrophobicContact CD2-CD1 4.41Å; A113-L217 HydrophobicContact CB-CD1 3.78Å; W213-L217 HydrophobicContact CE3-CB 4.46Å; W213-L217 HydrophobicContact CH2-CB 4.23Å; W213-L217 HydrophobicContact CH2-CD1 4.47Å; W213-L217 HydrophobicContact CH2-CD2 3.64Å; W213-L217 HydrophobicContact CH2-CG 4.32Å; W213-L217 HydrophobicContact CZ3-CB 4.15Å; W213-L217 HydrophobicContact CZ3-CD2 3.73Å; W213-L217 PolarHBondContact O-N 3.4Å; G214-L217 PolarHBondContact O-N 3.37Å; I215-L217 PolarHBondContact O-N 3.35Å; L217-L220 PolarHBondContact O-N 2.86Å; L217-L221 HydrophobicContact CD1-CD1 3.77Å; L217-L221 HydrophobicContact CD1-CG 4.14Å; L217-L221 HydrophobicContact CG-CD1 3.9Å; L217-L221 WeakPolarHBondContact O-CB 3.46Å; L217-L221 WeakPolarHBondContact O-CG 3.33Å; L217-L221 PolarHBondContact O-N 2.77Å; L217-L221 VanDerWaalsContact O-N 3.08Å; L217-L257 HydrophobicContact CD2-CD1 3.98Å; L217-L257 HydrophobicContact CD2-CG 4.4Å; L217-M261 HydrophobicContact CD2-CB 4.08Å; L217-M261 HydrophobicContact CD2-CE 3.96Å; L217-M261 HydrophobicContact CD2-CG 4.17Å; L217-M261 HydrophobicContact CG-CE 4.1Å
218W97.3Very high93.9Very high5 Ų515.1 Ų15.12%0.0197%0.067CC..Hα-helixtrans-62.3-47.4176.9-179.391.7000112.3G214 I215 I216 L220 L221 A222 R224 P226 P247 P248 I250 M261 W265G214-W218 PolarHBondContact O-N 3.2Å; G214-W218 VanDerWaalsContact O-N 3.17Å; I215-W218 WeakPolarHBondContact O-CB 3.24Å; I215-W218 PolarHBondContact O-N 3.38Å; I216-W218 VanDerWaalsContact C-N 3.3Å; I216-W218 PolarHBondContact O-N 3.46Å; W218-L220 VanDerWaalsContact C-N 3.28Å; W218-L220 PolarHBondContact O-N 2.79Å; W218-L221 PolarHBondContact O-N 2.74Å; W218-A222 HydrophobicContact CD2-CB 3.98Å; W218-A222 HydrophobicContact CE3-CB 4.27Å; W218-A222 HydrophobicContact CH2-CB 4.08Å; W218-A222 HydrophobicContact CZ2-CB 3.75Å; W218-A222 HydrophobicContact CZ3-CB 4.31Å; W218-A222 WeakPolarHBondContact O-CB 3.42Å; W218-A222 PolarHBondContact O-N 3.43Å; W218-R224 HydrophobicContact CH2-CB 3.57Å; W218-R224 HydrophobicContact CZ2-CB 4.47Å; W218-R224 HydrophobicContact CZ3-CB 3.91Å; W218-R224 WeakPolarHBondContact CZ3-O 3.38Å; W218-P226 HydrophobicContact CE3-CB 4.36Å; W218-P226 HydrophobicContact CE3-CG 4.27Å; W218-P226 HydrophobicContact CZ3-CB 4.18Å; W218-P226 HydrophobicContact CZ3-CG 4.25Å; W218-P247 HydrophobicContact CD2-CB 3.38Å; W218-P247 HydrophobicContact CD2-CG 4.1Å; W218-P247 HydrophobicContact CE3-CB 3.81Å; W218-P247 HydrophobicContact CE3-CG 4.21Å; W218-P247 HydrophobicContact CG-CB 3.84Å; W218-P247 HydrophobicContact CG-CG 4.42Å; W218-P247 HydrophobicContact CH2-CB 4.01Å; W218-P247 HydrophobicContact CZ2-CB 3.61Å; W218-P247 HydrophobicContact CZ3-CB 4.11Å; W218-P248 HydrophobicContact CZ2-CG 3.91Å; W218-P248 PolarHBondContact NE1-O 2.85Å; W218-I250 HydrophobicContact CG-CD1 4.16Å; W218-M261 HydrophobicContact CB-CG 4.45Å; W218-M261 HydrophobicContact CB-SD 3.61Å; W218-M261 HydrophobicContact CG-SD 4.11Å; W218-W265 HydrophobicContact CB-CH2 4.07Å; W218-W265 HydrophobicContact CB-CZ3 3.55Å; W218-W265 AromaticContact CD1-CH2 3.61Å; W218-W265 AromaticContact CD1-CZ3 3.95Å; W218-W265 AromaticContact CG-CH2 3.99Å; W218-W265 HydrophobicContact CG-CH2 3.99Å; W218-W265 AromaticContact CG-CZ3 3.85Å; W218-W265 HydrophobicContact CG-CZ3 3.85Å
219E95.6Very high93.2Very high7 Ų723.4 Ų23.43%0.03311%0.106CC..Hα-helixtrans-54.5-45.3179-180-176.1171.400111.4T138 W174 I215 I216 R223 R224 P226T138-E219 WeakPolarHBondContact CB-OE1 3.45Å; T138-E219 HydrophobicContact CG2-CG 4.47Å; T138-E219 WeakPolarHBondContact CG2-OE1 3.23Å; T138-E219 WeakPolarHBondContact CG2-OE2 3.23Å; T138-E219 VanDerWaalsContact OG1-CD 3.31Å; T138-E219 PolarHBondContact OG1-OE1 3.4Å; T138-E219 PolarHBondContact OG1-OE2 2.89Å; W174-E219 VanDerWaalsContact CE2-OE2 3.29Å; W174-E219 VanDerWaalsContact CZ2-OE2 3.26Å; W174-E219 WeakPolarHBondContact CZ2-OE2 3.06Å; W174-E219 PolarHBondContact NE1-OE2 3.44Å; I215-E219 WeakPolarHBondContact O-CB 3.49Å; I215-E219 PolarHBondContact O-N 2.82Å; I216-E219 PolarHBondContact O-N 3.25Å; E219-R223 VanDerWaalsContact O-CA 3.24Å; E219-R223 WeakPolarHBondContact O-CA 3.45Å; E219-R223 PolarHBondContact O-N 3.45Å; E219-R224 WeakPolarHBondContact CG-O 3.43Å; E219-R224 PolarHBondContact O-N 3.31Å; E219-P226 HydrophobicContact CB-CG 4.17Å; E219-P226 HydrophobicContact CG-CG 4.4Å
220L95.4Very high92Very high1 Ų127.4 Ų27.41%0.00513%0.126CC..Hα-helixtrans-70.6-36.5180-64.5174000113.2L90 T94 Y104 A109 W112 I216 L217 W218L90-L220 HydrophobicContact CD1-CD2 4.23Å; L90-L220 HydrophobicContact CD2-CD1 4.14Å; L90-L220 HydrophobicContact CD2-CD2 3.81Å; L90-L220 HydrophobicContact CG-CD2 4Å; T94-L220 HydrophobicContact CG2-CD2 4.01Å; Y104-L220 WeakPolarHBondContact CE2-O 3.49Å; Y104-L220 PolarHBondContact OH-O 3.41Å; A109-L220 HydrophobicContact CB-CB 3.92Å; W112-L220 HydrophobicContact CB-CD1 4.25Å; W112-L220 HydrophobicContact CE3-CD2 4.1Å; W112-L220 HydrophobicContact CZ3-CD2 4.45Å; I216-L220 HydrophobicContact CG2-CD1 4.03Å; I216-L220 HydrophobicContact CG2-CG 4.46Å; I216-L220 VanDerWaalsContact O-CG 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.3Å; I216-L220 PolarHBondContact O-N 3.43Å; I216-L220 VanDerWaalsContact O-N 3.07Å; L217-L220 PolarHBondContact O-N 2.86Å; W218-L220 VanDerWaalsContact C-N 3.28Å; W218-L220 PolarHBondContact O-N 2.79Å
221L94.8Very high90.4Very high28 Ų2827.9 Ų27.915%0.14713%0.13CC..Hα-helixtrans-80.3-39.1-179.6-69.4175.9000112.2A109 L217 W218 I250 L257 M261A109-L221 HydrophobicContact CB-CD2 4.04Å; L217-L221 HydrophobicContact CD1-CD1 3.77Å; L217-L221 HydrophobicContact CD1-CG 4.14Å; L217-L221 HydrophobicContact CG-CD1 3.9Å; L217-L221 WeakPolarHBondContact O-CB 3.46Å; L217-L221 WeakPolarHBondContact O-CG 3.33Å; L217-L221 PolarHBondContact O-N 2.77Å; L217-L221 VanDerWaalsContact O-N 3.08Å; W218-L221 PolarHBondContact O-N 2.74Å; L221-I250 HydrophobicContact CB-CD1 3.52Å; L221-I250 HydrophobicContact CD1-CD1 4.41Å; L221-L257 HydrophobicContact CD1-CD2 3.77Å; L221-L257 HydrophobicContact CD1-CG 4.45Å; L221-M261 HydrophobicContact CD1-CE 3.75Å
222A93.7Very high88.8Confident11 Ų1134.9 Ų34.99%0.09116%0.16CC..Hα-helixtrans-79.9-20.3179.600000112.5W218 R224 I250W218-A222 HydrophobicContact CD2-CB 3.98Å; W218-A222 HydrophobicContact CE3-CB 4.27Å; W218-A222 HydrophobicContact CH2-CB 4.08Å; W218-A222 HydrophobicContact CZ2-CB 3.75Å; W218-A222 HydrophobicContact CZ3-CB 4.31Å; W218-A222 WeakPolarHBondContact O-CB 3.42Å; W218-A222 PolarHBondContact O-N 3.43Å; A222-R224 HydrophobicContact CB-CB 4.23Å; A222-R224 PolarHBondContact O-N 2.99Å; A222-I250 HydrophobicContact CB-CD1 4.01Å; A222-I250 HydrophobicContact CB-CG1 4.1Å
223R92.4Very high87.5Confident79 Ų7936 Ų3630%0.29817%0.168SC..THydrogen-bonded Turntrans52.241.6-170.4-52.5-169.1167.8-173.1-1.7112.1R96 E103 Y104 E219R96-R223 VanDerWaalsContact CZ-O 3.29Å; R96-R223 PolarHBondContact NE-O 3.43Å; R96-R223 PolarHBondContact NH2-O 3.18Å; E103-R223 IonicContact OE1-NH1 3.78Å; E103-R223 IonicContact OE2-CZ 3.33Å; E103-R223 IonicContact OE2-NH1 3.81Å; E103-R223 PolarHBondContact OE2-NH1 3.07Å; E103-R223 IonicContact OE2-NH2 3.38Å; Y104-R223 PolarHBondContact O-NH2 3.08Å; Y104-R223 WeakPolarHBondContact OH-CG 3.45Å; E219-R223 VanDerWaalsContact O-CA 3.24Å; E219-R223 WeakPolarHBondContact O-CA 3.45Å; E219-R223 PolarHBondContact O-N 3.45Å
224R90.6Very high86.3Confident70 Ų7036.6 Ų36.626%0.26417%0.173SC..SBendtrans-132.3150.4-175-78.6-175.2-78.4178-2.5109.8W218 E219 A222W218-R224 HydrophobicContact CH2-CB 3.57Å; W218-R224 HydrophobicContact CZ2-CB 4.47Å; W218-R224 HydrophobicContact CZ3-CB 3.91Å; W218-R224 WeakPolarHBondContact CZ3-O 3.38Å; E219-R224 WeakPolarHBondContact CG-O 3.43Å; E219-R224 PolarHBondContact O-N 3.31Å; A222-R224 HydrophobicContact CB-CB 4.23Å; A222-R224 PolarHBondContact O-N 2.99Å
225I86.8Confident84.9Confident10 Ų1038.3 Ų38.35%0.05118%0.18CC..  trans-73.7129.8172.2-62.8176.2000107.9N97 F227 E228 Y313N97-I225 WeakPolarHBondContact ND2-CD1 3.47Å; I225-F227 PolarHBondContact O-N 3.45Å; I225-E228 HydrophobicContact CB-CB 4.06Å; I225-E228 HydrophobicContact CB-CG 4.39Å; I225-E228 HydrophobicContact CG2-CB 4.38Å; I225-E228 WeakPolarHBondContact O-CB 3.48Å; I225-E228 PolarHBondContact O-N 3.28Å; I225-Y313 HydrophobicContact CG2-CE2 4.12Å
226P89.6Confident83.8Confident0 Ų041.8 Ų41.80%020%0.196CC..THydrogen-bonded Turntrans-64134.5-179.7-15.827.7000111A173 W174 I215 W218 E219 E228A173-P226 HydrophobicContact CB-CB 4.21Å; W174-P226 HydrophobicContact CZ2-CG 4.17Å; I215-P226 HydrophobicContact CG2-CB 3.72Å; I215-P226 HydrophobicContact CG2-CG 3.54Å; W218-P226 HydrophobicContact CE3-CB 4.36Å; W218-P226 HydrophobicContact CE3-CG 4.27Å; W218-P226 HydrophobicContact CZ3-CB 4.18Å; W218-P226 HydrophobicContact CZ3-CG 4.25Å; E219-P226 HydrophobicContact CB-CG 4.17Å; E219-P226 HydrophobicContact CG-CG 4.4Å; P226-E228 PolarHBondContact O-N 3.45Å
227F88.2Confident83Confident6 Ų642 Ų423%0.02620%0.197CC..THydrogen-bonded Turntrans62.917.5179.5-48.1-88.3000115.9A173 I215 I225 E229 M230 A231 I237 V241 P247A173-F227 HydrophobicContact CB-CD2 4.07Å; A173-F227 VanDerWaalsContact O-CE2 3.27Å; A173-F227 WeakPolarHBondContact O-CE2 3.47Å; I215-F227 HydrophobicContact CD1-CE2 4.22Å; I215-F227 HydrophobicContact CD1-CZ 4.36Å; I225-F227 PolarHBondContact O-N 3.45Å; F227-E229 VanDerWaalsContact C-N 3.29Å; F227-E229 PolarHBondContact O-N 3.3Å; F227-M230 HydrophobicContact CB-CE 4.27Å; F227-M230 HydrophobicContact CD1-CE 3.46Å; F227-M230 VanDerWaalsContact CD1-CE 3.46Å; F227-M230 HydrophobicContact CE1-CE 4.22Å; F227-M230 HydrophobicContact CG-CE 4.25Å; F227-M230 PolarHBondContact O-N 3.4Å; F227-A231 PolarHBondContact O-N 2.76Å; F227-I237 HydrophobicContact CB-CD1 4.43Å; F227-I237 HydrophobicContact CB-CG1 4.16Å; F227-I237 HydrophobicContact CB-CG2 4.34Å; F227-I237 HydrophobicContact CD2-CG2 4.02Å; F227-I237 HydrophobicContact CG-CG2 4.09Å; F227-V241 HydrophobicContact CD1-CG2 4.47Å; F227-V241 HydrophobicContact CE1-CG2 3.72Å; F227-V241 HydrophobicContact CE2-CG2 4.13Å; F227-V241 HydrophobicContact CZ-CG2 3.52Å; F227-P247 HydrophobicContact CE2-CG 4.15Å; F227-P247 HydrophobicContact CZ-CG 4.01Å
228E82.3Confident82.2Confident93 Ų9343 Ų4344%0.43520%0.202SC..THydrogen-bonded Turntrans-54-40.4-178.1-173.9169.7-145.500113.7I225 P226I225-E228 HydrophobicContact CB-CB 4.06Å; I225-E228 HydrophobicContact CB-CG 4.39Å; I225-E228 HydrophobicContact CG2-CB 4.38Å; I225-E228 WeakPolarHBondContact O-CB 3.48Å; I225-E228 PolarHBondContact O-N 3.28Å; P226-E228 PolarHBondContact O-N 3.45Å
229E77.2Confident81.2Confident176 Ų17647.5 Ų47.582%0.82222%0.219SC*.THydrogen-bonded Turntrans-79.9-22.4-176.5-62.8179.2-168.300113.8F227F227-E229 VanDerWaalsContact C-N 3.29Å; F227-E229 PolarHBondContact O-N 3.3Å
230M68.3Low80.7Confident84 Ų8447.6 Ų47.641%0.41422%0.221SC..THydrogen-bonded Turntrans-95.5-23.7-167.4-74.3178.2-77.900113.7F227F227-M230 HydrophobicContact CB-CE 4.27Å; F227-M230 HydrophobicContact CD1-CE 3.46Å; F227-M230 VanDerWaalsContact CD1-CE 3.46Å; F227-M230 HydrophobicContact CE1-CE 4.22Å; F227-M230 HydrophobicContact CG-CE 4.25Å; F227-M230 PolarHBondContact O-N 3.4Å
231A63.5Low80.4Confident11 Ų1147.6 Ų47.69%0.09122%0.221CC..  trans-141.6121.3-162.900000113.7F227 S233 Q236 I237F227-A231 PolarHBondContact O-N 2.76Å; A231-S233 VanDerWaalsContact C-N 3.29Å; A231-Q236 HydrophobicContact CB-CB 3.65Å; A231-I237 HydrophobicContact CB-CB 4.34Å; A231-I237 HydrophobicContact CB-CD1 4.23Å; A231-I237 HydrophobicContact CB-CG1 3.28Å
232K64.2Low79.9Confident147 Ų14749.6 Ų49.664%0.63923%0.229SC*.SBendtrans-82.9-1.9164.6-57.9-177.4-178.5179.80111.6I317K232-I317 WeakPolarHBondContact O-CB 3.24Å; K232-I317 VanDerWaalsContact O-CD1 3.26Å; K232-I317 WeakPolarHBondContact O-CD1 3.46Å; K232-I317 WeakPolarHBondContact O-CG1 3.2Å; K232-I317 WeakPolarHBondContact O-CG2 3.48Å
233S68.9Low79.5Confident26 Ų2653.1 Ų53.118%0.18225%0.246CC..SBendtrans-150.5157.2177780000113.5A231 Y235 Q236 I237A231-S233 VanDerWaalsContact C-N 3.29Å; S233-Y235 PolarHBondContact O-N 3.42Å; S233-Q236 WeakPolarHBondContact O-CB 3.19Å; S233-Q236 PolarHBondContact O-N 3.31Å; S233-Q236 VanDerWaalsContact O-N 3.11Å; S233-Q236 PolarHBondContact OG-N 3.3Å; S233-I237 PolarHBondContact O-N 3.31Å; S233-I237 VanDerWaalsContact O-N 3.08Å
234A72Confident79.3Confident13 Ų1356.8 Ų56.811%0.10727%0.265CS..Hα-helixtrans-52.3-38.5172.600000113N168 A172 I237 M238N168-A234 HydrophobicContact CB-CB 4.46Å; N168-A234 WeakPolarHBondContact O-CB 3.34Å; A172-A234 HydrophobicContact CB-CB 4.02Å; A234-I237 PolarHBondContact O-N 2.96Å; A234-M238 HydrophobicContact CB-CE 4.21Å; A234-M238 WeakPolarHBondContact O-CG 3.36Å; A234-M238 PolarHBondContact O-N 3.38Å
235Y69.3Low79.4Confident36 Ų3657.7 Ų57.714%0.14127%0.272CS..Hα-helixtrans-67.1-43.4178.8176-104.8000111.6S233 I237 M238 W239 L359 P360 P362S233-Y235 PolarHBondContact O-N 3.42Å; Y235-I237 VanDerWaalsContact C-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.99Å; Y235-M238 PolarHBondContact O-N 3.4Å; Y235-W239 WeakPolarHBondContact O-CB 3.04Å; Y235-W239 PolarHBondContact O-N 3.43Å; Y235-L359 HydrophobicContact CD2-CD2 4.18Å; Y235-L359 HydrophobicContact CE2-CD1 4.48Å; Y235-L359 HydrophobicContact CE2-CD2 3.67Å; Y235-L359 HydrophobicContact CE2-CG 4.5Å; Y235-P360 HydrophobicContact CD1-CG 4.18Å; Y235-P360 HydrophobicContact CE1-CG 3.71Å; Y235-P360 PolarHBondContact OH-O 2.86Å; Y235-P360 VanDerWaalsContact OH-O 3.13Å; Y235-P362 HydrophobicContact CE1-CG 4.4Å
236Q75.4Confident79.8Confident74 Ų7459.3 Ų59.335%0.34628%0.277SS..Hα-helixtrans-59.9-40.2175.2-74.6177.5-34.900111.3A231 S233 W239 A240A231-Q236 HydrophobicContact CB-CB 3.65Å; S233-Q236 WeakPolarHBondContact O-CB 3.19Å; S233-Q236 PolarHBondContact O-N 3.31Å; S233-Q236 VanDerWaalsContact O-N 3.11Å; S233-Q236 PolarHBondContact OG-N 3.3Å; Q236-W239 PolarHBondContact O-N 3.32Å; Q236-A240 VanDerWaalsContact O-CB 3.31Å; Q236-A240 WeakPolarHBondContact O-CB 3.42Å; Q236-A240 PolarHBondContact O-N 2.97Å
237I80.7Confident80Confident4 Ų459.6 Ų59.62%0.02128%0.279CS..Hα-helixtrans-61.5-50.5173.4-61.2175.8000110.8A172 A173 F227 A231 S233 A234 Y235 W239 A240 V241A172-I237 HydrophobicContact CB-CB 4.05Å; A172-I237 HydrophobicContact CB-CD1 4.38Å; A172-I237 HydrophobicContact CB-CG2 4.03Å; A173-I237 HydrophobicContact CB-CD1 4.36Å; F227-I237 HydrophobicContact CB-CD1 4.43Å; F227-I237 HydrophobicContact CB-CG1 4.16Å; F227-I237 HydrophobicContact CB-CG2 4.34Å; F227-I237 HydrophobicContact CD2-CG2 4.02Å; F227-I237 HydrophobicContact CG-CG2 4.09Å; A231-I237 HydrophobicContact CB-CB 4.34Å; A231-I237 HydrophobicContact CB-CD1 4.23Å; A231-I237 HydrophobicContact CB-CG1 3.28Å; S233-I237 PolarHBondContact O-N 3.31Å; S233-I237 VanDerWaalsContact O-N 3.08Å; A234-I237 PolarHBondContact O-N 2.96Å; Y235-I237 VanDerWaalsContact C-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.99Å; I237-W239 VanDerWaalsContact C-N 3.3Å; I237-W239 PolarHBondContact O-N 2.9Å; I237-A240 PolarHBondContact O-N 3.35Å; I237-V241 HydrophobicContact CG2-CG2 4.22Å; I237-V241 WeakPolarHBondContact O-CB 3.46Å; I237-V241 VanDerWaalsContact O-CG2 3.29Å; I237-V241 WeakPolarHBondContact O-CG2 3.46Å; I237-V241 PolarHBondContact O-N 3.01Å
238M79.9Confident80.3Confident21 Ų2162.4 Ų62.410%0.10330%0.298CS..Hα-helixtrans-59.9-41.6179.9-71.8170.9-154.100112.1N168 A172 F180 A234 Y235 V241 H242N168-M238 HydrophobicContact CB-CE 3.63Å; N168-M238 WeakPolarHBondContact ND2-CE 3.46Å; N168-M238 VanDerWaalsContact OD1-CE 3.24Å; N168-M238 WeakPolarHBondContact OD1-CE 3.47Å; A172-M238 HydrophobicContact CB-CE 3.71Å; A172-M238 HydrophobicContact CB-CG 4.28Å; F180-M238 HydrophobicContact CB-SD 4.18Å; F180-M238 HydrophobicContact CD1-CB 4.41Å; F180-M238 HydrophobicContact CD1-CG 3.88Å; F180-M238 HydrophobicContact CD2-CB 4.08Å; F180-M238 HydrophobicContact CD2-CG 4.28Å; F180-M238 HydrophobicContact CE1-CB 4.28Å; F180-M238 HydrophobicContact CE1-CG 4.04Å; F180-M238 HydrophobicContact CE2-CB 3.98Å; F180-M238 HydrophobicContact CE2-CG 4.46Å; F180-M238 WeakPolarHBondContact CE2-O 3.33Å; F180-M238 HydrophobicContact CG-CB 4.3Å; F180-M238 HydrophobicContact CG-CG 3.98Å; F180-M238 HydrophobicContact CG-SD 4.27Å; F180-M238 HydrophobicContact CZ-CB 4.04Å; F180-M238 HydrophobicContact CZ-CG 4.31Å; F180-M238 VanDerWaalsContact CZ-O 3.29Å; F180-M238 WeakPolarHBondContact CZ-O 3.49Å; A234-M238 HydrophobicContact CB-CE 4.21Å; A234-M238 WeakPolarHBondContact O-CG 3.36Å; A234-M238 PolarHBondContact O-N 3.38Å; Y235-M238 PolarHBondContact O-N 3.4Å; M238-V241 PolarHBondContact O-N 3.04Å; M238-H242 VanDerWaalsContact O-CB 3.25Å; M238-H242 WeakPolarHBondContact O-CB 3.14Å; M238-H242 PolarHBondContact O-N 3.49Å
239W77.7Confident80.8Confident101 Ų10162.6 Ų62.638%0.38330%0.302SS..Hα-helixtrans-64.8-44.5177.6-177-98.1000112.1Y235 Q236 I237 H242 N243 P362Y235-W239 WeakPolarHBondContact O-CB 3.04Å; Y235-W239 PolarHBondContact O-N 3.43Å; Q236-W239 PolarHBondContact O-N 3.32Å; I237-W239 VanDerWaalsContact C-N 3.3Å; I237-W239 PolarHBondContact O-N 2.9Å; W239-H242 WeakPolarHBondContact O-CB 3.29Å; W239-H242 PolarHBondContact O-N 2.77Å; W239-N243 PolarHBondContact NE1-ND2 3.32Å; W239-N243 PolarHBondContact O-N 3.02Å; W239-N243 PolarHBondContact O-ND2 3.31Å; W239-P362 HydrophobicContact CD2-CB 4.45Å; W239-P362 HydrophobicContact CD2-CG 3.66Å; W239-P362 HydrophobicContact CE3-CG 4.1Å; W239-P362 HydrophobicContact CG-CG 4.08Å; W239-P362 HydrophobicContact CH2-CG 4.26Å; W239-P362 HydrophobicContact CZ2-CG 3.85Å; W239-P362 HydrophobicContact CZ3-CG 4.37Å
240A84.7Confident81.7Confident8 Ų855.7 Ų55.77%0.06627%0.27CS..Hα-helixtrans-58.4-49.9173.700000111.1Q236 I237 H242 N243 K244 E245Q236-A240 VanDerWaalsContact O-CB 3.31Å; Q236-A240 WeakPolarHBondContact O-CB 3.42Å; Q236-A240 PolarHBondContact O-N 2.97Å; I237-A240 PolarHBondContact O-N 3.35Å; A240-H242 VanDerWaalsContact C-N 3.35Å; A240-H242 PolarHBondContact O-N 2.97Å; A240-N243 CarbonylContact O-C 3.06Å; A240-N243 WeakPolarHBondContact O-CA 3.47Å; A240-N243 PolarHBondContact O-N 2.8Å; A240-N243 VanDerWaalsContact O-N 3.1Å; A240-K244 PolarHBondContact O-N 3.41Å; A240-E245 HydrophobicContact CB-CB 4.06Å; A240-E245 HydrophobicContact CB-CG 4.32Å; A240-E245 VanDerWaalsContact CB-OE2 3.25Å; A240-E245 WeakPolarHBondContact CB-OE2 3.39Å; A240-E245 VanDerWaalsContact O-CB 3.29Å; A240-E245 WeakPolarHBondContact O-CB 3.36Å; A240-E245 PolarHBondContact O-N 2.9Å
241V88.4Confident82.8Confident2 Ų258.4 Ų58.41%0.01229%0.287CS..Hα-helixtrans-62.8-39.7179.7172.20000112P177 F180 Y211 F227 I237 M238 N243 K244 R246P177-V241 HydrophobicContact CB-CG1 4.21Å; P177-V241 HydrophobicContact CG-CG1 4.46Å; F180-V241 HydrophobicContact CE1-CB 4.39Å; F180-V241 HydrophobicContact CE1-CG1 4.05Å; F180-V241 HydrophobicContact CZ-CB 3.92Å; F180-V241 HydrophobicContact CZ-CG1 3.75Å; Y211-V241 VanDerWaalsContact OH-CG1 3.29Å; Y211-V241 WeakPolarHBondContact OH-CG1 3.4Å; F227-V241 HydrophobicContact CD1-CG2 4.47Å; F227-V241 HydrophobicContact CE1-CG2 3.72Å; F227-V241 HydrophobicContact CE2-CG2 4.13Å; F227-V241 HydrophobicContact CZ-CG2 3.52Å; I237-V241 HydrophobicContact CG2-CG2 4.22Å; I237-V241 WeakPolarHBondContact O-CB 3.46Å; I237-V241 VanDerWaalsContact O-CG2 3.29Å; I237-V241 WeakPolarHBondContact O-CG2 3.46Å; I237-V241 PolarHBondContact O-N 3.01Å; M238-V241 PolarHBondContact O-N 3.04Å; V241-N243 VanDerWaalsContact C-N 3.32Å; V241-K244 WeakPolarHBondContact O-CA 3.32Å; V241-K244 PolarHBondContact O-N 3.43Å; V241-R246 PolarHBondContact O-NH1 2.94Å
242H83.7Confident84.1Confident70 Ų7064.9 Ų64.932%0.32432%0.32SS..Hα-helixtrans-58.3-44.2172.7-177.658.4000111.3F180 E181 M238 W239 A240 K244F180-H242 HydrophobicContact CE2-CB 4.11Å; E181-H242 VanDerWaalsContact CD-ND1 3.33Å; E181-H242 WeakPolarHBondContact CG-ND1 3.26Å; E181-H242 IonicContact OE1-CE1 3.51Å; E181-H242 PolarHBondContact OE1-CE1 3.32Å; E181-H242 IonicContact OE1-CG 2.85Å; E181-H242 IonicContact OE1-ND1 3.45Å; E181-H242 PolarHBondContact OE1-ND1 3.4Å; M238-H242 VanDerWaalsContact O-CB 3.25Å; M238-H242 WeakPolarHBondContact O-CB 3.14Å; M238-H242 PolarHBondContact O-N 3.49Å; W239-H242 WeakPolarHBondContact O-CB 3.29Å; W239-H242 PolarHBondContact O-N 2.77Å; A240-H242 VanDerWaalsContact C-N 3.35Å; A240-H242 PolarHBondContact O-N 2.97Å; H242-K244 PolarHBondContact O-N 2.63Å
243N85Confident85.4Confident84 Ų8459.1 Ų59.145%0.44930%0.298SS..THydrogen-bonded Turntrans-77.419.2174.7-70.8-63.8000113.9W239 A240 V241 E245W239-N243 PolarHBondContact NE1-ND2 3.32Å; W239-N243 PolarHBondContact O-N 3.02Å; W239-N243 PolarHBondContact O-ND2 3.31Å; A240-N243 CarbonylContact O-C 3.06Å; A240-N243 WeakPolarHBondContact O-CA 3.47Å; A240-N243 PolarHBondContact O-N 2.8Å; A240-N243 VanDerWaalsContact O-N 3.1Å; V241-N243 VanDerWaalsContact C-N 3.32Å; N243-E245 PolarHBondContact O-N 3.1Å
244K89.6Confident86.5Confident157 Ų15761 Ų6168%0.68331%0.309SS*.THydrogen-bonded Turntrans6714.9174.8-50.9173.9-178.6173.80114.3A240 V241 H242 A267A240-K244 PolarHBondContact O-N 3.41Å; V241-K244 WeakPolarHBondContact O-CA 3.32Å; V241-K244 PolarHBondContact O-N 3.43Å; H242-K244 PolarHBondContact O-N 2.63Å; K244-A267 HydrophobicContact CG-CB 4.43Å
245E91.9Very high87.6Confident88 Ų8866.3 Ų66.341%0.41133%0.334SS..  trans-66.4142.7169.8-61.4-167.4171.800110.3A240 N243A240-E245 HydrophobicContact CB-CB 4.06Å; A240-E245 HydrophobicContact CB-CG 4.32Å; A240-E245 VanDerWaalsContact CB-OE2 3.25Å; A240-E245 WeakPolarHBondContact CB-OE2 3.39Å; A240-E245 VanDerWaalsContact O-CB 3.29Å; A240-E245 WeakPolarHBondContact O-CB 3.36Å; A240-E245 PolarHBondContact O-N 2.9Å; N243-E245 PolarHBondContact O-N 3.1Å
246R94.6Very high88.7Confident44 Ų4469.7 Ų69.717%0.16635%0.352CS..  trans-139.6160.4-178.1-65.5-62.5-180-88.50.9109.4V241 W265V241-R246 PolarHBondContact O-NH1 2.94Å; R246-W265 HydrophobicContact CG-CG 4.48Å; R246-W265 PolarHBondContact NE-O 2.93Å; R246-W265 PolarHBondContact NH2-O 3.34Å
247P94Very high89.6Confident6 Ų666.3 Ų66.34%0.03934%0.336CS..PPolyproline II helixtrans-55.4146.6173.4-2435.1000111.7I215 W218 F227 W265I215-P247 HydrophobicContact CD1-CG 3.86Å; W218-P247 HydrophobicContact CD2-CB 3.38Å; W218-P247 HydrophobicContact CD2-CG 4.1Å; W218-P247 HydrophobicContact CE3-CB 3.81Å; W218-P247 HydrophobicContact CE3-CG 4.21Å; W218-P247 HydrophobicContact CG-CB 3.84Å; W218-P247 HydrophobicContact CG-CG 4.42Å; W218-P247 HydrophobicContact CH2-CB 4.01Å; W218-P247 HydrophobicContact CZ2-CB 3.61Å; W218-P247 HydrophobicContact CZ3-CB 4.11Å; F227-P247 HydrophobicContact CE2-CG 4.15Å; F227-P247 HydrophobicContact CZ-CG 4.01Å; P247-W265 HydrophobicContact CB-CH2 4.31Å; P247-W265 HydrophobicContact CB-CZ3 4.33Å; P247-W265 HydrophobicContact CG-CH2 4.44Å; P247-W265 HydrophobicContact CG-CZ3 4.05Å
248P94.3Very high90.4Very high65 Ų6567.4 Ų67.442%0.42234%0.344SS..PPolyproline II helixtrans-66.7162.8-175.427.8-36.3000112.1W218W218-P248 HydrophobicContact CZ2-CG 3.91Å; W218-P248 PolarHBondContact NE1-O 2.85Å
249D94.7Very high91.2Very high98 Ų9871.6 Ų71.652%0.52436%0.362SS..PPolyproline II helixtrans-60.2152175.4-79.8-34.3000112.4K262D249-K262 VanDerWaalsContact CG-NZ 3.27Å; D249-K262 WeakPolarHBondContact OD1-CE 3.43Å; D249-K262 IonicContact OD1-NZ 3.04Å; D249-K262 PolarHBondContact OD1-NZ 3.11Å; D249-K262 IonicContact OD2-NZ 3.45Å; D249-K262 PolarHBondContact OD2-NZ 3.06Å
250I95.1Very high92.1Very high30 Ų3067.1 Ų67.115%0.15435%0.345CS..PPolyproline II helixtrans-103.3121.8178.7-51.9177.3000107.9W218 L221 A222 C253 M261W218-I250 HydrophobicContact CG-CD1 4.16Å; L221-I250 HydrophobicContact CB-CD1 3.52Å; L221-I250 HydrophobicContact CD1-CD1 4.41Å; A222-I250 HydrophobicContact CB-CD1 4.01Å; A222-I250 HydrophobicContact CB-CG1 4.1Å; I250-C253 HydrophobicContact CB-CB 4Å; I250-C253 HydrophobicContact CG2-CB 4.35Å; I250-C253 VanDerWaalsContact O-CB 3.25Å; I250-C253 WeakPolarHBondContact O-CB 3.5Å; I250-C253 PolarHBondContact O-N 3.28Å; I250-M261 HydrophobicContact CD1-CE 4.05Å; I250-M261 HydrophobicContact CD1-SD 4.29Å
251D92Very high92.8Very high142 Ų14267 Ų6776%0.75934%0.343SS*.THydrogen-bonded Turntrans-58.5141.5175-60.1-37.1000110.9C253D251-C253 PolarHBondContact O-N 3.24Å; D251-C253 VanDerWaalsContact O-N 3.11Å
252D89.2Confident93.2Very high146 Ų14670.9 Ų70.978%0.78136%0.36SS*.THydrogen-bonded Turntrans55.126.7-178.8-53.7-41.6000115
253C92.6Very high93.9Very high26 Ų2673.3 Ų73.318%0.17637%0.366CS..  trans-81128.1170.2-172.90000110.3I250 D251 I255I250-C253 HydrophobicContact CB-CB 4Å; I250-C253 HydrophobicContact CG2-CB 4.35Å; I250-C253 VanDerWaalsContact O-CB 3.25Å; I250-C253 WeakPolarHBondContact O-CB 3.5Å; I250-C253 PolarHBondContact O-N 3.28Å; D251-C253 PolarHBondContact O-N 3.24Å; D251-C253 VanDerWaalsContact O-N 3.11Å; C253-I255 PolarHBondContact O-N 3.14Å
254P92.6Very high94.5Very high66 Ų6669.3 Ų69.343%0.42935%0.345SS..  trans-53.2133175.2-2734.9000111.8E256 L257 S258 F285P254-E256 VanDerWaalsContact C-N 3.27Å; P254-E256 PolarHBondContact O-N 2.85Å; P254-L257 HydrophobicContact CB-CB 4.16Å; P254-L257 WeakPolarHBondContact O-CA 3.43Å; P254-L257 WeakPolarHBondContact O-CB 3.45Å; P254-L257 PolarHBondContact O-N 3.17Å; P254-S258 PolarHBondContact O-N 3.25Å; P254-F285 HydrophobicContact CB-CE1 3.82Å; P254-F285 HydrophobicContact CG-CE1 4.38Å
255I93.7Very high94.9Very high124 Ų12462.4 Ų62.464%0.63632%0.315SS*.Hα-helixtrans-52.7-45.4-174.2-67.9166.9000111.7C253 L257 S258 K259C253-I255 PolarHBondContact O-N 3.14Å; I255-L257 VanDerWaalsContact C-N 3.3Å; I255-L257 PolarHBondContact O-N 2.91Å; I255-S258 PolarHBondContact O-N 3.24Å; I255-K259 HydrophobicContact CG2-CD 4.23Å; I255-K259 WeakPolarHBondContact O-CG 3.37Å; I255-K259 PolarHBondContact O-N 2.92Å
256E93.8Very high95.1Very high107 Ų10760.9 Ų60.950%0.531%0.309SS..Hα-helixtrans-68.2-30-178.9-65.3-50.2127.800112.5P254 K259 L260 F285P254-E256 VanDerWaalsContact C-N 3.27Å; P254-E256 PolarHBondContact O-N 2.85Å; E256-K259 IonicContact OE1-NZ 3.61Å; E256-K259 PolarHBondContact OE1-NZ 3.38Å; E256-K259 IonicContact OE2-NZ 3.73Å; E256-L260 PolarHBondContact O-N 3.08Å; E256-L260 VanDerWaalsContact O-N 3.08Å; E256-F285 HydrophobicContact CB-CE2 4.31Å; E256-F285 HydrophobicContact CB-CZ 3.65Å
257L94.1Very high94.9Very high4 Ų460.7 Ų60.72%0.02132%0.317CS..Hα-helixtrans-74.8-40.8175-17263.9000111L110 L217 L221 P254 I255 L260 M261 F285L110-L257 HydrophobicContact CD2-CD1 4.24Å; L110-L257 HydrophobicContact CD2-CD2 3.85Å; L217-L257 HydrophobicContact CD2-CD1 3.98Å; L217-L257 HydrophobicContact CD2-CG 4.4Å; L221-L257 HydrophobicContact CD1-CD2 3.77Å; L221-L257 HydrophobicContact CD1-CG 4.45Å; P254-L257 HydrophobicContact CB-CB 4.16Å; P254-L257 WeakPolarHBondContact O-CA 3.43Å; P254-L257 WeakPolarHBondContact O-CB 3.45Å; P254-L257 PolarHBondContact O-N 3.17Å; I255-L257 VanDerWaalsContact C-N 3.3Å; I255-L257 PolarHBondContact O-N 2.91Å; L257-L260 PolarHBondContact O-N 3.31Å; L257-M261 WeakPolarHBondContact O-CB 3.46Å; L257-M261 PolarHBondContact O-N 3.05Å; L257-F285 HydrophobicContact CB-CE1 3.99Å; L257-F285 HydrophobicContact CB-CE2 4.15Å; L257-F285 HydrophobicContact CB-CZ 3.73Å; L257-F285 HydrophobicContact CD1-CD2 4.23Å; L257-F285 HydrophobicContact CD1-CE2 4.28Å; L257-F285 VanDerWaalsContact N-CZ 3.34Å
258S96.3Very high94.8Very high27 Ų2763.8 Ų63.819%0.18933%0.334CS..Hα-helixtrans-60.3-43.7172.5179.50000111.5P254 I255 M261 K262P254-S258 PolarHBondContact O-N 3.25Å; I255-S258 PolarHBondContact O-N 3.24Å; S258-M261 PolarHBondContact O-N 2.79Å; S258-K262 WeakPolarHBondContact O-CB 3.39Å; S258-K262 WeakPolarHBondContact O-CG 3.34Å; S258-K262 PolarHBondContact O-N 2.84Å
259K97Very high94.6Very high108 Ų10862 Ų6247%0.4732%0.321SS..Hα-helixtrans-60.6-45.1174.6-75.7174.9-176.5169.30112.3I255 E256 K262 R263I255-K259 HydrophobicContact CG2-CD 4.23Å; I255-K259 WeakPolarHBondContact O-CG 3.37Å; I255-K259 PolarHBondContact O-N 2.92Å; E256-K259 IonicContact OE1-NZ 3.61Å; E256-K259 PolarHBondContact OE1-NZ 3.38Å; E256-K259 IonicContact OE2-NZ 3.73Å; K259-K262 PolarHBondContact O-N 2.92Å; K259-R263 WeakPolarHBondContact O-CB 3.47Å; K259-R263 WeakPolarHBondContact O-CG 3.17Å; K259-R263 PolarHBondContact O-N 3.19Å
260L97.8Very high94.4Very high7 Ų764 Ų644%0.03733%0.332CS..Hα-helixtrans-59-50.7176.117769.4000110.8W213 E256 L257 K262 R263 C264 P273 V278 V281 V282W213-L260 HydrophobicContact CH2-CD2 4.11Å; W213-L260 HydrophobicContact CZ3-CD2 4.25Å; E256-L260 PolarHBondContact O-N 3.08Å; E256-L260 VanDerWaalsContact O-N 3.08Å; L257-L260 PolarHBondContact O-N 3.31Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.48Å; L260-R263 PolarHBondContact O-N 3.07Å; L260-C264 PolarHBondContact O-N 2.9Å; L260-C264 PolarHBondContact O-SG 3.48Å; L260-P273 HydrophobicContact CD1-CG 4.39Å; L260-V278 HydrophobicContact CD1-CG2 4.36Å; L260-V278 HydrophobicContact CD2-CG1 4.46Å; L260-V281 HydrophobicContact CB-CG1 4.43Å; L260-V281 HydrophobicContact CD1-CB 4.35Å; L260-V281 HydrophobicContact CD1-CG1 4.39Å; L260-V281 HydrophobicContact CD1-CG2 4.49Å; L260-V281 HydrophobicContact CD2-CB 4.04Å; L260-V281 HydrophobicContact CD2-CG1 3.77Å; L260-V281 HydrophobicContact CG-CG1 4.41Å; L260-V282 HydrophobicContact CD2-CG2 3.67Å
261M97.7Very high94.4Very high5 Ų565.6 Ų65.63%0.02534%0.343CS..Hα-helixtrans-56-46.7179.2-168.7-171.9-44.600111.2L217 W218 L221 I250 L257 S258 R263 C264 W265L217-M261 HydrophobicContact CD2-CB 4.08Å; L217-M261 HydrophobicContact CD2-CE 3.96Å; L217-M261 HydrophobicContact CD2-CG 4.17Å; L217-M261 HydrophobicContact CG-CE 4.1Å; W218-M261 HydrophobicContact CB-CG 4.45Å; W218-M261 HydrophobicContact CB-SD 3.61Å; W218-M261 HydrophobicContact CG-SD 4.11Å; L221-M261 HydrophobicContact CD1-CE 3.75Å; I250-M261 HydrophobicContact CD1-CE 4.05Å; I250-M261 HydrophobicContact CD1-SD 4.29Å; L257-M261 WeakPolarHBondContact O-CB 3.46Å; L257-M261 PolarHBondContact O-N 3.05Å; S258-M261 PolarHBondContact O-N 2.79Å; M261-R263 PolarHBondContact O-N 2.65Å; M261-C264 WeakPolarHBondContact O-CB 3.5Å; M261-C264 PolarHBondContact O-N 2.7Å; M261-C264 VanDerWaalsContact O-N 3.14Å; M261-W265 HydrophobicContact CG-CE3 4.16Å; M261-W265 HydrophobicContact CG-CH2 3.83Å; M261-W265 HydrophobicContact CG-CZ2 4.31Å; M261-W265 HydrophobicContact CG-CZ3 3.77Å; M261-W265 PolarHBondContact O-N 2.62Å; M261-W265 HydrophobicContact SD-CH2 3.64Å; M261-W265 HydrophobicContact SD-CZ2 4.42Å; M261-W265 HydrophobicContact SD-CZ3 3.92Å
262K97.8Very high94.7Very high84 Ų8459 Ų5937%0.36531%0.307SS..Hα-helixtrans-65.2-37.2178.6-73.5178.5178.7179.20113.9D249 S258 K259 L260 C264 W265 D266D249-K262 VanDerWaalsContact CG-NZ 3.27Å; D249-K262 WeakPolarHBondContact OD1-CE 3.43Å; D249-K262 IonicContact OD1-NZ 3.04Å; D249-K262 PolarHBondContact OD1-NZ 3.11Å; D249-K262 IonicContact OD2-NZ 3.45Å; D249-K262 PolarHBondContact OD2-NZ 3.06Å; S258-K262 WeakPolarHBondContact O-CB 3.39Å; S258-K262 WeakPolarHBondContact O-CG 3.34Å; S258-K262 PolarHBondContact O-N 2.84Å; K259-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.48Å; K262-C264 VanDerWaalsContact C-N 3.33Å; K262-W265 HydrophobicContact CG-CZ2 3.89Å; K262-D266 PolarHBondContact O-N 2.93Å
263R97.9Very high95.1Very high121 Ų12152.3 Ų52.346%0.45727%0.272SS..Hα-helixtrans-67.3-34.5172.9-73.8175.361.6-155.3-3.2112.2K259 L260 M261 D266 R272K259-R263 WeakPolarHBondContact O-CB 3.47Å; K259-R263 WeakPolarHBondContact O-CG 3.17Å; K259-R263 PolarHBondContact O-N 3.19Å; L260-R263 PolarHBondContact O-N 3.07Å; M261-R263 PolarHBondContact O-N 2.65Å; R263-D266 PolarHBondContact O-N 2.99Å; R263-R272 WeakPolarHBondContact O-CA 3.39Å; R263-R272 WeakPolarHBondContact O-CG 3.25Å
264C98.4Very high95.2Very high0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-65.3-40179.4-68.40000111.8V210 Y211 W213 L260 M261 K262 R272V210-C264 HydrophobicContact CG1-CB 4.02Å; Y211-C264 VanDerWaalsContact CA-O 3.25Å; Y211-C264 WeakPolarHBondContact CA-O 3.35Å; Y211-C264 PolarHBondContact N-O 3.19Å; W213-C264 HydrophobicContact CE3-CB 4.43Å; L260-C264 PolarHBondContact O-N 2.9Å; L260-C264 PolarHBondContact O-SG 3.48Å; M261-C264 WeakPolarHBondContact O-CB 3.5Å; M261-C264 PolarHBondContact O-N 2.7Å; M261-C264 VanDerWaalsContact O-N 3.14Å; K262-C264 VanDerWaalsContact C-N 3.33Å; C264-R272 WeakPolarHBondContact O-CD 3.16Å; C264-R272 WeakPolarHBondContact O-CG 3.39Å
265W97Very high95.5Very high13 Ų1349.3 Ų49.35%0.04925%0.254CS..THydrogen-bonded Turntrans-96.319.2179.764.738.1000114.8Y211 I215 W218 R246 P247 M261 K262Y211-W265 VanDerWaalsContact CD2-CA 3.49Å; Y211-W265 HydrophobicContact CD2-CB 3.87Å; Y211-W265 HydrophobicContact CE2-CB 3.75Å; Y211-W265 WeakPolarHBondContact CE2-O 3.34Å; Y211-W265 HydrophobicContact CG-CB 4.46Å; I215-W265 HydrophobicContact CD1-CB 4.45Å; I215-W265 HydrophobicContact CD1-CD2 4.43Å; I215-W265 HydrophobicContact CD1-CE3 3.64Å; I215-W265 HydrophobicContact CD1-CZ3 4.2Å; I215-W265 HydrophobicContact CG1-CE3 4.42Å; W218-W265 HydrophobicContact CB-CH2 4.07Å; W218-W265 HydrophobicContact CB-CZ3 3.55Å; W218-W265 AromaticContact CD1-CH2 3.61Å; W218-W265 AromaticContact CD1-CZ3 3.95Å; W218-W265 AromaticContact CG-CH2 3.99Å; W218-W265 HydrophobicContact CG-CH2 3.99Å; W218-W265 AromaticContact CG-CZ3 3.85Å; W218-W265 HydrophobicContact CG-CZ3 3.85Å; R246-W265 HydrophobicContact CG-CG 4.48Å; R246-W265 PolarHBondContact NE-O 2.93Å; R246-W265 PolarHBondContact NH2-O 3.34Å; P247-W265 HydrophobicContact CB-CH2 4.31Å; P247-W265 HydrophobicContact CB-CZ3 4.33Å; P247-W265 HydrophobicContact CG-CH2 4.44Å; P247-W265 HydrophobicContact CG-CZ3 4.05Å; M261-W265 HydrophobicContact CG-CE3 4.16Å; M261-W265 HydrophobicContact CG-CH2 3.83Å; M261-W265 HydrophobicContact CG-CZ2 4.31Å; M261-W265 HydrophobicContact CG-CZ3 3.77Å; M261-W265 PolarHBondContact O-N 2.62Å; M261-W265 HydrophobicContact SD-CH2 3.64Å; M261-W265 HydrophobicContact SD-CZ2 4.42Å; M261-W265 HydrophobicContact SD-CZ3 3.92Å; K262-W265 HydrophobicContact CG-CZ2 3.89Å
266D96.6Very high95.6Very high55 Ų5548.9 Ų48.929%0.29425%0.248SC..  trans-56.8142.6178.3-163.1-71.3000110.4K262 R263 N268 V271 R272K262-D266 PolarHBondContact O-N 2.93Å; R263-D266 PolarHBondContact O-N 2.99Å; D266-N268 PolarHBondContact O-N 3.32Å; D266-N268 PolarHBondContact OD1-N 3.42Å; D266-V271 HydrophobicContact CB-CB 4.07Å; D266-V271 HydrophobicContact CB-CG1 4.06Å; D266-R272 HydrophobicContact CB-CG 4.28Å; D266-R272 VanDerWaalsContact O-CZ 3.32Å; D266-R272 PolarHBondContact O-NE 2.89Å; D266-R272 PolarHBondContact O-NH2 2.89Å
267A91.2Very high95.8Very high41 Ų4146.9 Ų46.934%0.33924%0.24SC..SBendtrans-60.7-34.6177.800000111.6K244 P269 R272K244-A267 HydrophobicContact CG-CB 4.43Å; A267-P269 WeakPolarHBondContact O-CD 3.33Å; A267-R272 PolarHBondContact O-NH2 3.32Å
268N90.5Very high96Very high71 Ų7146.7 Ų46.738%0.3824%0.239SC..SBendtrans-87.4113.7176.3-177.9-0.6000110.9D266 L270 V271D266-N268 PolarHBondContact O-N 3.32Å; D266-N268 PolarHBondContact OD1-N 3.42Å; N268-L270 PolarHBondContact O-N 2.89Å; N268-L270 VanDerWaalsContact O-N 3.07Å; N268-L270 WeakPolarHBondContact OD1-CB 3.46Å; N268-L270 PolarHBondContact OD1-N 3.21Å; N268-V271 HydrophobicContact CB-CG2 3.93Å; N268-V271 PolarHBondContact O-N 3.41Å
269P91.3Very high96.1Very high26 Ų2646.3 Ų46.317%0.16924%0.235CC..THydrogen-bonded Turntrans-56.9-26.6178.7-23.934.5000114.2E178 K207 A267 V271 R272E178-P269 HydrophobicContact CB-CG 4.33Å; E178-P269 HydrophobicContact CG-CG 3.92Å; K207-P269 HydrophobicContact CB-CB 4.06Å; K207-P269 PolarHBondContact NZ-O 2.73Å; A267-P269 WeakPolarHBondContact O-CD 3.33Å; P269-V271 VanDerWaalsContact C-N 3.3Å; P269-V271 PolarHBondContact O-N 3.17Å; P269-R272 WeakPolarHBondContact O-CB 3.44Å; P269-R272 PolarHBondContact O-N 3.47Å
270L90.6Very high96.1Very high141 Ų14146 Ų4674%0.73824%0.239SC*.THydrogen-bonded Turntrans-71-24179.5-60.2173.7000113.1N268N268-L270 PolarHBondContact O-N 2.89Å; N268-L270 VanDerWaalsContact O-N 3.07Å; N268-L270 WeakPolarHBondContact OD1-CB 3.46Å; N268-L270 PolarHBondContact OD1-N 3.21Å
271V95.2Very high96Very high64 Ų6448 Ų4839%0.38825%0.252SS..THydrogen-bonded Turntrans-79.8-26.5176.91770000111.2D266 N268 P269D266-V271 HydrophobicContact CB-CB 4.07Å; D266-V271 HydrophobicContact CB-CG1 4.06Å; N268-V271 HydrophobicContact CB-CG2 3.93Å; N268-V271 PolarHBondContact O-N 3.41Å; P269-V271 VanDerWaalsContact C-N 3.3Å; P269-V271 PolarHBondContact O-N 3.17Å
272R96.6Very high95.9Very high3 Ų347.8 Ų47.81%0.01125%0.251CS..SBendtrans-64.3134.7-179-54.5178.7-166.9150.410.4109.9E178 K207 V210 R263 C264 D266 A267 P269E178-R272 VanDerWaalsContact CD-NH1 3.35Å; E178-R272 IonicContact OE1-CZ 3.46Å; E178-R272 IonicContact OE1-NH1 2.77Å; E178-R272 PolarHBondContact OE1-NH1 2.78Å; E178-R272 IonicContact OE1-NH2 2.82Å; E178-R272 IonicContact OE2-CZ 3.79Å; E178-R272 IonicContact OE2-NH1 2.79Å; E178-R272 PolarHBondContact OE2-NH1 3.26Å; E178-R272 IonicContact OE2-NH2 3.54Å; E178-R272 PolarHBondContact OE2-NH2 2.73Å; K207-R272 HydrophobicContact CB-CB 4.45Å; K207-R272 HydrophobicContact CD-CB 4.4Å; K207-R272 PolarHBondContact NZ-O 3.49Å; K207-R272 WeakPolarHBondContact O-CD 3.48Å; K207-R272 PolarHBondContact O-NH1 3.45Å; V210-R272 HydrophobicContact CB-CB 4.49Å; V210-R272 HydrophobicContact CG1-CB 4.05Å; R263-R272 WeakPolarHBondContact O-CA 3.39Å; R263-R272 WeakPolarHBondContact O-CG 3.25Å; C264-R272 WeakPolarHBondContact O-CD 3.16Å; C264-R272 WeakPolarHBondContact O-CG 3.39Å; D266-R272 HydrophobicContact CB-CG 4.28Å; D266-R272 VanDerWaalsContact O-CZ 3.32Å; D266-R272 PolarHBondContact O-NE 2.89Å; D266-R272 PolarHBondContact O-NH2 2.89Å; A267-R272 PolarHBondContact O-NH2 3.32Å; P269-R272 WeakPolarHBondContact O-CB 3.44Å; P269-R272 PolarHBondContact O-N 3.47Å
273P97.5Very high95.7Very high5 Ų546 Ų463%0.03225%0.245CC..PPolyproline II helixtrans-62.2162.4177.228.2-35.3000111.3V210 L260 D277 V278V210-P273 HydrophobicContact CG1-CG 4.18Å; L260-P273 HydrophobicContact CD1-CG 4.39Å; P273-D277 HydrophobicContact CB-CB 4.11Å; P273-V278 HydrophobicContact CB-CG2 4.13Å; P273-V278 HydrophobicContact CG-CG2 3.55Å
274A96.4Very high95.4Very high25 Ų2543 Ų4321%0.20724%0.243CC..PPolyproline II helixtrans-72.4153.6164.600000109.4F276 D277 V278A274-F276 HydrophobicContact CB-CD1 3.48Å; A274-F276 VanDerWaalsContact CB-CD1 3.48Å; A274-F276 HydrophobicContact CB-CE1 3.3Å; A274-F276 HydrophobicContact CB-CG 4.48Å; A274-F276 HydrophobicContact CB-CZ 4.19Å; A274-F276 PolarHBondContact O-N 3.08Å; A274-D277 PolarHBondContact N-OD2 3.47Å; A274-D277 WeakPolarHBondContact O-CB 3.36Å; A274-D277 PolarHBondContact O-N 3.14Å; A274-V278 PolarHBondContact O-N 3.27Å
275M97.8Very high95.1Very high4 Ų444.5 Ų44.52%0.0225%0.249CC..Hα-helixtrans-63.5-27.8-176.3-166.460.878.200112.8A117 V120 V210 W213 V278 V279A117-M275 HydrophobicContact CB-CG 4.45Å; A117-M275 HydrophobicContact CB-SD 3.89Å; A117-M275 VanDerWaalsContact O-CG 3.31Å; A117-M275 WeakPolarHBondContact O-CG 3.43Å; V120-M275 HydrophobicContact CB-CE 3.96Å; V120-M275 HydrophobicContact CB-CG 3.93Å; V120-M275 HydrophobicContact CB-SD 4.47Å; V120-M275 HydrophobicContact CG1-CB 4.48Å; V120-M275 HydrophobicContact CG1-CE 3.54Å; V120-M275 HydrophobicContact CG1-CG 3.93Å; V120-M275 HydrophobicContact CG1-SD 4.48Å; V210-M275 HydrophobicContact CB-CE 4.32Å; V210-M275 HydrophobicContact CG2-CE 3.83Å; W213-M275 HydrophobicContact CB-CE 3.87Å; W213-M275 HydrophobicContact CG-CE 4.18Å; W213-M275 HydrophobicContact CG-SD 4.35Å; M275-V278 WeakPolarHBondContact O-CB 3.25Å; M275-V278 PolarHBondContact O-N 3.35Å; M275-V278 HydrophobicContact SD-CB 3.96Å; M275-V278 HydrophobicContact SD-CG1 4.11Å; M275-V278 HydrophobicContact SD-CG2 4.22Å; M275-V279 WeakPolarHBondContact O-CG2 3.46Å; M275-V279 PolarHBondContact O-N 3.39Å
276F96.9Very high94.8Very high116 Ų11644.4 Ų44.451%0.50925%0.25SC..Hα-helixtrans-65.9-38.3174.477.9-95.4000112.1A274 V278 V279 D280A274-F276 HydrophobicContact CB-CD1 3.48Å; A274-F276 VanDerWaalsContact CB-CD1 3.48Å; A274-F276 HydrophobicContact CB-CE1 3.3Å; A274-F276 HydrophobicContact CB-CG 4.48Å; A274-F276 HydrophobicContact CB-CZ 4.19Å; A274-F276 PolarHBondContact O-N 3.08Å; F276-V278 VanDerWaalsContact C-N 3.3Å; F276-V278 PolarHBondContact O-N 2.95Å; F276-V279 WeakPolarHBondContact O-CB 3.45Å; F276-V279 PolarHBondContact O-N 2.95Å; F276-D280 PolarHBondContact O-N 3.21Å; F276-D280 VanDerWaalsContact O-N 3.11Å
277D97.6Very high94.3Very high65 Ų6548.9 Ų48.935%0.34827%0.267SS..Hα-helixtrans-64.3-38.1174.4-61.3-56.7000110.8P273 A274 V279 D280 V281P273-D277 HydrophobicContact CB-CB 4.11Å; A274-D277 PolarHBondContact N-OD2 3.47Å; A274-D277 WeakPolarHBondContact O-CB 3.36Å; A274-D277 PolarHBondContact O-N 3.14Å; D277-V279 VanDerWaalsContact C-N 3.33Å; D277-D280 PolarHBondContact O-N 3.17Å; D277-V281 WeakPolarHBondContact O-CG2 3.38Å; D277-V281 PolarHBondContact O-N 3.15Å
278V98.5Very high93.9Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-60.5-45.3175.3177.20000110.2A117 V210 W213 L260 P273 A274 M275 F276 D280 V281 V282A117-V278 HydrophobicContact CB-CG1 4.17Å; V210-V278 HydrophobicContact CG1-CG2 4.45Å; W213-V278 HydrophobicContact CD2-CG1 3.91Å; W213-V278 HydrophobicContact CE3-CG1 3.73Å; W213-V278 HydrophobicContact CH2-CG1 3.46Å; W213-V278 VanDerWaalsContact CH2-CG1 3.46Å; W213-V278 HydrophobicContact CZ2-CG1 3.63Å; W213-V278 HydrophobicContact CZ3-CG1 3.52Å; L260-V278 HydrophobicContact CD1-CG2 4.36Å; L260-V278 HydrophobicContact CD2-CG1 4.46Å; P273-V278 HydrophobicContact CB-CG2 4.13Å; P273-V278 HydrophobicContact CG-CG2 3.55Å; A274-V278 PolarHBondContact O-N 3.27Å; M275-V278 WeakPolarHBondContact O-CB 3.25Å; M275-V278 PolarHBondContact O-N 3.35Å; M275-V278 HydrophobicContact SD-CB 3.96Å; M275-V278 HydrophobicContact SD-CG1 4.11Å; M275-V278 HydrophobicContact SD-CG2 4.22Å; F276-V278 VanDerWaalsContact C-N 3.3Å; F276-V278 PolarHBondContact O-N 2.95Å; V278-D280 PolarHBondContact O-N 2.94Å; V278-V281 PolarHBondContact O-N 3.22Å; V278-V282 HydrophobicContact CG1-CG2 4.21Å; V278-V282 VanDerWaalsContact O-CG2 3.23Å; V278-V282 WeakPolarHBondContact O-CG2 3.48Å; V278-V282 PolarHBondContact O-N 3.03Å
279V98.2Very high92.9Very high18 Ų1852.6 Ų52.611%0.10929%0.29CS..Hα-helixtrans-57.1-48.3176.5171.40000111L114 A117 K118 M275 F276 D277 V281 V282 L283L114-V279 HydrophobicContact CD1-CG1 4.12Å; A117-V279 HydrophobicContact CB-CG2 3.63Å; K118-V279 HydrophobicContact CG-CG1 4.06Å; K118-V279 HydrophobicContact CG-CG2 4.18Å; M275-V279 WeakPolarHBondContact O-CG2 3.46Å; M275-V279 PolarHBondContact O-N 3.39Å; F276-V279 WeakPolarHBondContact O-CB 3.45Å; F276-V279 PolarHBondContact O-N 2.95Å; D277-V279 VanDerWaalsContact C-N 3.33Å; V279-V281 PolarHBondContact O-N 3.02Å; V279-V282 PolarHBondContact O-N 3.42Å; V279-L283 WeakPolarHBondContact O-CB 3.34Å; V279-L283 PolarHBondContact O-N 3.01Å
280D96.4Very high91.3Very high101 Ų10152.1 Ų52.154%0.5429%0.288SS..Hα-helixtrans-62.3-45.5-177.9-76.3-22.1000112.3F276 D277 V278 L283 S284F276-D280 PolarHBondContact O-N 3.21Å; F276-D280 VanDerWaalsContact O-N 3.11Å; D277-D280 PolarHBondContact O-N 3.17Å; V278-D280 PolarHBondContact O-N 2.94Å; D280-L283 PolarHBondContact O-N 3.11Å; D280-S284 PolarHBondContact O-N 2.75Å; D280-S284 VanDerWaalsContact O-N 3.15Å
281V95.7Very high89.6Confident51 Ų5149.9 Ų49.931%0.30930%0.299SS..Hα-helixtrans-64-50.7178.7178.60000110.3L260 D277 V278 V279 L283 S284 F285L260-V281 HydrophobicContact CB-CG1 4.43Å; L260-V281 HydrophobicContact CD1-CB 4.35Å; L260-V281 HydrophobicContact CD1-CG1 4.39Å; L260-V281 HydrophobicContact CD1-CG2 4.49Å; L260-V281 HydrophobicContact CD2-CB 4.04Å; L260-V281 HydrophobicContact CD2-CG1 3.77Å; L260-V281 HydrophobicContact CG-CG1 4.41Å; D277-V281 WeakPolarHBondContact O-CG2 3.38Å; D277-V281 PolarHBondContact O-N 3.15Å; V278-V281 PolarHBondContact O-N 3.22Å; V279-V281 PolarHBondContact O-N 3.02Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3.25Å; V281-S284 WeakPolarHBondContact O-CB 3.4Å; V281-S284 PolarHBondContact O-N 3.22Å; V281-S284 VanDerWaalsContact O-N 3.12Å; V281-S284 PolarHBondContact O-OG 3.31Å; V281-F285 HydrophobicContact CG1-CD2 4.17Å; V281-F285 HydrophobicContact CG1-CE2 3.87Å; V281-F285 WeakPolarHBondContact O-CD2 3.08Å; V281-F285 PolarHBondContact O-N 2.97Å
282V95.3Very high87.6Confident0 Ų051 Ų510%031%0.306CS..Hα-helixtrans-64.6-37.1-178.2-179.80000111.5L114 W213 L260 V278 V279 S284 F285 V286L114-V282 HydrophobicContact CB-CG1 3.81Å; L114-V282 HydrophobicContact CD1-CB 4.18Å; L114-V282 HydrophobicContact CD1-CG1 4.16Å; L114-V282 HydrophobicContact CG-CG1 4.5Å; W213-V282 HydrophobicContact CH2-CG2 3.47Å; W213-V282 VanDerWaalsContact CH2-CG2 3.47Å; W213-V282 HydrophobicContact CZ2-CG2 3.72Å; L260-V282 HydrophobicContact CD2-CG2 3.67Å; V278-V282 HydrophobicContact CG1-CG2 4.21Å; V278-V282 VanDerWaalsContact O-CG2 3.23Å; V278-V282 WeakPolarHBondContact O-CG2 3.48Å; V278-V282 PolarHBondContact O-N 3.03Å; V279-V282 PolarHBondContact O-N 3.42Å; V282-S284 VanDerWaalsContact C-N 3.26Å; V282-S284 PolarHBondContact O-N 3.21Å; V282-F285 WeakPolarHBondContact O-CB 3.18Å; V282-F285 PolarHBondContact O-N 3.48Å; V282-F285 VanDerWaalsContact O-N 3.11Å; V282-V286 HydrophobicContact CG1-CG2 4.35Å; V282-V286 WeakPolarHBondContact O-CG2 3.16Å; V282-V286 PolarHBondContact O-N 3.12Å
283L94.2Very high86Confident47 Ų4754.2 Ų54.225%0.24633%0.333CS..Hα-helixtrans-60.8-36.9176.1-177.663000111.7L114 V279 D280 V281 F285 V286 K287L114-L283 HydrophobicContact CD1-CB 4.2Å; L114-L283 HydrophobicContact CD2-CD1 3.93Å; V279-L283 WeakPolarHBondContact O-CB 3.34Å; V279-L283 PolarHBondContact O-N 3.01Å; D280-L283 PolarHBondContact O-N 3.11Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3.25Å; L283-F285 VanDerWaalsContact C-N 3.33Å; L283-V286 PolarHBondContact O-N 3.23Å; L283-K287 HydrophobicContact CG-CD 4.32Å; L283-K287 WeakPolarHBondContact O-CB 3.25Å; L283-K287 VanDerWaalsContact O-CG 3.31Å; L283-K287 WeakPolarHBondContact O-CG 3.5Å; L283-K287 PolarHBondContact O-N 3.21Å
284S92.4Very high84.8Confident58 Ų5861.4 Ų61.441%0.40636%0.364SS..Hα-helixtrans-63.3-38.6174.880.30000112.4D280 V281 V282 T288D280-S284 PolarHBondContact O-N 2.75Å; D280-S284 VanDerWaalsContact O-N 3.15Å; V281-S284 WeakPolarHBondContact O-CB 3.4Å; V281-S284 PolarHBondContact O-N 3.22Å; V281-S284 VanDerWaalsContact O-N 3.12Å; V281-S284 PolarHBondContact O-OG 3.31Å; V282-S284 VanDerWaalsContact C-N 3.26Å; V282-S284 PolarHBondContact O-N 3.21Å; S284-T288 WeakPolarHBondContact O-CB 3.42Å; S284-T288 PolarHBondContact O-N 3.07Å; S284-T288 VanDerWaalsContact O-N 3.15Å; S284-T288 PolarHBondContact O-OG1 2.96Å
285F90.9Very high84.1Confident31 Ų3160.8 Ų60.814%0.13636%0.358CS..Hα-helixtrans-67.5-44.9174.8-81.2-81.1000112.2P254 E256 L257 V281 V282 L283 K287 T288 S289P254-F285 HydrophobicContact CB-CE1 3.82Å; P254-F285 HydrophobicContact CG-CE1 4.38Å; E256-F285 HydrophobicContact CB-CE2 4.31Å; E256-F285 HydrophobicContact CB-CZ 3.65Å; L257-F285 HydrophobicContact CB-CE1 3.99Å; L257-F285 HydrophobicContact CB-CE2 4.15Å; L257-F285 HydrophobicContact CB-CZ 3.73Å; L257-F285 HydrophobicContact CD1-CD2 4.23Å; L257-F285 HydrophobicContact CD1-CE2 4.28Å; L257-F285 VanDerWaalsContact N-CZ 3.34Å; V281-F285 HydrophobicContact CG1-CD2 4.17Å; V281-F285 HydrophobicContact CG1-CE2 3.87Å; V281-F285 WeakPolarHBondContact O-CD2 3.08Å; V281-F285 PolarHBondContact O-N 2.97Å; V282-F285 WeakPolarHBondContact O-CB 3.18Å; V282-F285 PolarHBondContact O-N 3.48Å; V282-F285 VanDerWaalsContact O-N 3.11Å; L283-F285 VanDerWaalsContact C-N 3.33Å; F285-K287 VanDerWaalsContact C-N 3.32Å; F285-K287 PolarHBondContact O-N 2.7Å; F285-T288 PolarHBondContact O-N 3.2Å; F285-S289 VanDerWaalsContact O-CB 3.23Å; F285-S289 WeakPolarHBondContact O-CB 3.35Å; F285-S289 PolarHBondContact O-N 3.1Å; F285-S289 PolarHBondContact O-OG 3.48Å
286V90.1Very high83.5Confident10 Ų1067.1 Ų67.16%0.06139%0.387CS..Hα-helixtrans-60.7-42.9178.8169.70000110.9L110 H111 L114 V282 L283 T288 S290L110-V286 HydrophobicContact CB-CG2 3.92Å; H111-V286 VanDerWaalsContact NE2-CG1 3.25Å; H111-V286 WeakPolarHBondContact NE2-CG1 3.24Å; L114-V286 HydrophobicContact CD2-CB 4.37Å; L114-V286 HydrophobicContact CD2-CG1 4.5Å; L114-V286 HydrophobicContact CD2-CG2 4.02Å; V282-V286 HydrophobicContact CG1-CG2 4.35Å; V282-V286 WeakPolarHBondContact O-CG2 3.16Å; V282-V286 PolarHBondContact O-N 3.12Å; L283-V286 PolarHBondContact O-N 3.23Å; V286-T288 VanDerWaalsContact C-N 3.33Å; V286-T288 PolarHBondContact O-N 2.95Å; V286-S290 WeakPolarHBondContact O-CB 3.39Å; V286-S290 PolarHBondContact O-N 3.09Å; V286-S290 PolarHBondContact O-OG 3.45Å
287K87.3Confident83.2Confident150 Ų15065.7 Ų65.765%0.65239%0.39SS*.Hα-helixtrans-64.2-34.6176.4-74.1174.8178.2175.80113.4L283 F285L283-K287 HydrophobicContact CG-CD 4.32Å; L283-K287 WeakPolarHBondContact O-CB 3.25Å; L283-K287 VanDerWaalsContact O-CG 3.31Å; L283-K287 WeakPolarHBondContact O-CG 3.5Å; L283-K287 PolarHBondContact O-N 3.21Å; F285-K287 VanDerWaalsContact C-N 3.32Å; F285-K287 PolarHBondContact O-N 2.7Å
288T81.9Confident82.8Confident122 Ų12263.2 Ų63.275%0.74838%0.376SS*.Hα-helixtrans-86.6-34.5-175.9-49.30000112.5S284 F285 V286S284-T288 WeakPolarHBondContact O-CB 3.42Å; S284-T288 PolarHBondContact O-N 3.07Å; S284-T288 VanDerWaalsContact O-N 3.15Å; S284-T288 PolarHBondContact O-OG1 2.96Å; F285-T288 PolarHBondContact O-N 3.2Å; V286-T288 VanDerWaalsContact C-N 3.33Å; V286-T288 PolarHBondContact O-N 2.95Å
289S70.3Confident82.1Confident67 Ų6768.4 Ų68.447%0.46940%0.404SS..Hα-helixtrans-86.3-12.6-171.7-49.30000113.8F285F285-S289 VanDerWaalsContact O-CB 3.23Å; F285-S289 WeakPolarHBondContact O-CB 3.35Å; F285-S289 PolarHBondContact O-N 3.1Å; F285-S289 PolarHBondContact O-OG 3.48Å
290S56.6Low80.9Confident16 Ų1669 Ų6911%0.11241%0.406CS..  trans-120.298-168.5-29.60000109.1V286 T292V286-S290 WeakPolarHBondContact O-CB 3.39Å; V286-S290 PolarHBondContact O-N 3.09Å; V286-S290 PolarHBondContact O-OG 3.45Å; S290-T292 WeakPolarHBondContact CB-O 3.19Å; S290-T292 PolarHBondContact O-N 2.96Å; S290-T292 VanDerWaalsContact O-N 3.16Å
291G56.1Low79.2Confident94 Ų9470.6 Ų70.697%0.96941%0.414SS*.SBendtrans-58.9-17.1166.200000112.4
292T53.5Low77.1Confident87 Ų8775.7 Ų75.753%0.53443%0.432SS..SBendtrans-111.3123.1167.355.20000109.2S290 F294S290-T292 WeakPolarHBondContact CB-O 3.19Å; S290-T292 PolarHBondContact O-N 2.96Å; S290-T292 VanDerWaalsContact O-N 3.16Å; T292-F294 PolarHBondContact O-N 3.26Å
293A63.1Low74.9Confident71 Ų7180.6 Ų80.659%0.58746%0.464SS*.SBendtrans-64.7-7.6-172.900000115.2
294F71.8Confident72.6Confident156 Ų15680.4 Ų80.468%0.68447%0.466SS*.SBendtrans-143.9146.4-176.5-64.1-80.9000111.1T292T292-F294 PolarHBondContact O-N 3.26Å
295P81.3Confident70.1Confident12 Ų1281.1 Ų81.18%0.07847%0.471CS..PPolyproline II helixtrans-66.3140.8171.827.7-32.1000109.9H111H111-P295 HydrophobicContact CB-CG 4.04Å
296E86.1Confident67.6Low137 Ų13785.5 Ų85.564%0.6449%0.494SS*.PPolyproline II helixtrans-59.8146.4171.6-71.3-78.9157.300110.6H108 L298H108-E296 PolarHBondContact NE2-O 3.31Å; E296-L298 PolarHBondContact O-N 3.49Å
297P90.1Very high64.9Low86 Ų8691.8 Ų91.856%0.55853%0.526SS*.PPolyproline II helixtrans-53.8133170.3-27.236.8000112.4H146 T148H146-P297 HydrophobicContact CB-CB 3.84Å; T148-P297 HydrophobicContact CG2-CG 4.48Å
298L88.6Confident62.6Low13 Ų1386.2 Ų86.27%0.06850%0.503CS..PPolyproline II helixtrans-83.6136.9175.7-68.1165.2000110.4V102 E103 H108 W112 H146 E296 F300V102-L298 HydrophobicContact CG2-CB 4.42Å; V102-L298 HydrophobicContact CG2-CD1 3.86Å; V102-L298 HydrophobicContact CG2-CD2 3.9Å; V102-L298 HydrophobicContact CG2-CG 4.27Å; E103-L298 VanDerWaalsContact O-CD2 3.31Å; E103-L298 WeakPolarHBondContact O-CD2 3.27Å; H108-L298 WeakPolarHBondContact NE2-CD2 3.49Å; H108-L298 WeakPolarHBondContact NE2-CG 3.44Å; W112-L298 HydrophobicContact CH2-CD1 3.86Å; W112-L298 HydrophobicContact CZ2-CD1 3.41Å; W112-L298 VanDerWaalsContact CZ2-CD1 3.41Å; H146-L298 PolarHBondContact O-N 3.16Å; E296-L298 PolarHBondContact O-N 3.49Å; L298-F300 HydrophobicContact CB-CD2 4.39Å; L298-F300 HydrophobicContact CB-CE2 3.66Å; L298-F300 HydrophobicContact CB-CZ 3.95Å; L298-F300 HydrophobicContact CD1-CZ 4.28Å; L298-F300 WeakPolarHBondContact O-CD2 3.41Å; L298-F300 PolarHBondContact O-N 2.98Å
299N83.5Confident60Low110 Ų11085 Ų8559%0.58849%0.489SS*.  trans-84.4108.3174-170.69.8000110.1D301N299-D301 VanDerWaalsContact CG-OD1 3.3Å; N299-D301 PolarHBondContact ND2-OD1 3.39Å; N299-D301 PolarHBondContact ND2-OD2 3.06Å; N299-D301 PolarHBondContact O-N 3.21Å; N299-D301 PolarHBondContact OD1-OD1 3.37Å
300F74.6Confident58.2Low31 Ų3183.9 Ų83.914%0.13648%0.48CS..  trans-92.782.7169.6-58.9-89.6000107.2C87 R93 V102 L143 H146 L298 K302C87-F300 HydrophobicContact CB-CD1 4.4Å; C87-F300 HydrophobicContact CB-CD2 4.32Å; C87-F300 HydrophobicContact CB-CE1 3.95Å; C87-F300 HydrophobicContact CB-CE2 3.95Å; C87-F300 HydrophobicContact CB-CZ 3.73Å; C87-F300 VanDerWaalsContact SG-CE2 3.54Å; R93-F300 HydrophobicContact CB-CE1 4.39Å; R93-F300 HydrophobicContact CG-CD1 4.47Å; R93-F300 HydrophobicContact CG-CE1 3.81Å; R93-F300 VanDerWaalsContact CZ-CD1 3.48Å; V102-F300 HydrophobicContact CG1-CD1 3.84Å; V102-F300 HydrophobicContact CG1-CE1 3.53Å; V102-F300 HydrophobicContact CG1-CZ 4.39Å; L143-F300 HydrophobicContact CD1-CZ 4.32Å; H146-F300 VanDerWaalsContact C-CE2 3.41Å; L298-F300 HydrophobicContact CB-CD2 4.39Å; L298-F300 HydrophobicContact CB-CE2 3.66Å; L298-F300 HydrophobicContact CB-CZ 3.95Å; L298-F300 HydrophobicContact CD1-CZ 4.28Å; L298-F300 WeakPolarHBondContact O-CD2 3.41Å; L298-F300 PolarHBondContact O-N 2.98Å; F300-K302 PolarHBondContact O-N 2.98Å
301D59.7Low57.1Low134 Ų13487 Ų8772%0.71750%0.499SS*.SBendtrans-57.5-10.2-174.3-82.6-48.4000114N299N299-D301 VanDerWaalsContact CG-OD1 3.3Å; N299-D301 PolarHBondContact ND2-OD1 3.39Å; N299-D301 PolarHBondContact ND2-OD2 3.06Å; N299-D301 PolarHBondContact O-N 3.21Å; N299-D301 PolarHBondContact OD1-OD1 3.37Å
302K51.8Low56Low158 Ų15884.5 Ų84.569%0.68747%0.466SS*.SBendtrans-141.9138.1165.2-64.9-179.7-178.6169.20111.3F300F300-K302 PolarHBondContact O-N 2.98Å
303P48.1Very low54.9Low103 Ų10382.3 Ų82.367%0.66945%0.448SS*.PPolyproline II helixtrans-55.4146.6160.925.6-31.2000108.2S305P303-S305 PolarHBondContact O-N 3.29Å
304P47Very low53.3Low43 Ų4379.8 Ų79.828%0.27943%0.428SS..PPolyproline II helixtrans-54.3122.1-178.618.9-20.6000108.1R93R93-P304 VanDerWaalsContact NH2-CD 3.33Å
305S39.3Very low51.2Low73 Ų7377.8 Ų77.851%0.5142%0.424SS..PPolyproline II helixtrans-58140.5-178.324.80000109.6P303 I307 D308P303-S305 PolarHBondContact O-N 3.29Å; S305-I307 PolarHBondContact O-N 3.09Å; S305-D308 PolarHBondContact O-N 3.02Å
306I38.9Very low48.7Very low122 Ų12283.4 Ų83.463%0.62645%0.447SS*.THydrogen-bonded Turntrans-63.28.5-168.4-71169.4000114.4
307I34.2Very low46.1Very low142 Ų14278.4 Ų78.473%0.72843%0.425SS*.THydrogen-bonded Turntrans-143.148.8-178.5-33.5173000109.9S305 E309S305-I307 PolarHBondContact O-N 3.09Å; I307-E309 VanDerWaalsContact C-N 3.25Å; I307-E309 PolarHBondContact O-N 3.2Å
308D37Very low43.1Very low34 Ų3478.8 Ų78.818%0.18243%0.426CS..  trans-90.381.6152.3-65.8-28.3000104.9S305S305-D308 PolarHBondContact O-N 3.02Å
309E28.3Very low40Very low97 Ų9782 Ų8245%0.45346%0.462SS..  trans-46.3143.2153.8-71.2-156.313800106.5R16 I307 V311R16-E309 IonicContact NH2-OE1 3.17Å; R16-E309 PolarHBondContact NH2-OE1 3.33Å; I307-E309 VanDerWaalsContact C-N 3.25Å; I307-E309 PolarHBondContact O-N 3.2Å; E309-V311 PolarHBondContact O-N 3.47Å
310P32.2Very low37.2Very low43 Ų4380.1 Ų80.128%0.27946%0.462SS..  trans-52.6110.7158.79.61.3000103.2R19 Y92 S312R19-P310 VanDerWaalsContact O-CG 3.29Å; R19-P310 WeakPolarHBondContact O-CG 2.98Å; Y92-P310 VanDerWaalsContact OH-CA 3.25Å; Y92-P310 WeakPolarHBondContact OH-CA 3.42Å; P310-S312 PolarHBondContact O-N 3.06Å
311V33.4Very low34.7Very low82 Ų8283.9 Ų83.950%0.49749%0.492SS..  trans-59.290.3152-1740000100.3E309 Y313 N315 F316E309-V311 PolarHBondContact O-N 3.47Å; V311-Y313 PolarHBondContact O-N 2.93Å; V311-N315 HydrophobicContact CG1-CB 3.77Å; V311-F316 HydrophobicContact CB-CE2 4.47Å; V311-F316 HydrophobicContact CG1-CD2 3.79Å; V311-F316 HydrophobicContact CG1-CE2 3.67Å
312S32.6Very low33.1Very low40 Ų4083.8 Ų83.828%0.2850%0.496SS..  trans-45.8127.4171.6172.30000102P310 A314 N315P310-S312 PolarHBondContact O-N 3.06Å; S312-A314 CarbonylContact O-C 3.56Å; S312-A314 WeakPolarHBondContact O-CA 3.37Å; S312-A314 PolarHBondContact O-N 3.31Å; S312-A314 WeakPolarHBondContact OG-CB 3.28Å; S312-N315 PolarHBondContact O-N 3.03Å
313Y31.8Very low31.8Very low41 Ų4182.1 Ų82.116%0.16149%0.494CS..THydrogen-bonded Turntrans-46.7-17.4176.9-157.1-98.8000111.4K169 I225 V311 N315 F316 I317K169-Y313 WeakPolarHBondContact O-CD1 3.29Å; I225-Y313 HydrophobicContact CG2-CE2 4.12Å; V311-Y313 PolarHBondContact O-N 2.93Å; Y313-N315 PolarHBondContact O-N 3.07Å; Y313-F316 PolarHBondContact O-N 3.5Å; Y313-I317 HydrophobicContact CD1-CD1 3.49Å; Y313-I317 VanDerWaalsContact CD1-CD1 3.49Å; Y313-I317 HydrophobicContact CD1-CG1 4.14Å; Y313-I317 HydrophobicContact CE1-CD1 3.77Å; Y313-I317 HydrophobicContact CE1-CG1 4.22Å
314A29.6Very low30.7Very low19 Ų1983 Ų8316%0.15750%0.5CS..Hα-helixtrans-42.4-45.3161.700000116.9S312 F316 I317S312-A314 CarbonylContact O-C 3.56Å; S312-A314 WeakPolarHBondContact O-CA 3.37Å; S312-A314 PolarHBondContact O-N 3.31Å; S312-A314 WeakPolarHBondContact OG-CB 3.28Å; A314-F316 VanDerWaalsContact C-N 3.32Å; A314-F316 PolarHBondContact O-N 2.95Å; A314-I317 PolarHBondContact O-N 2.72Å
315N27.3Very low29.8Very low113 Ų11388.6 Ų88.660%0.60453%0.526SS*.Hα-helixtrans-75.1-20.7-174.1-75.5-8.2000113.7V311 S312 Y313V311-N315 HydrophobicContact CG1-CB 3.77Å; S312-N315 PolarHBondContact O-N 3.03Å; Y313-N315 PolarHBondContact O-N 3.07Å
316F29Very low29Very low131 Ų13193.6 Ų93.658%0.57554%0.541SS*.Hα-helixtrans-90.8-12.3178-81.1-82000113.4V311 Y313 A314V311-F316 HydrophobicContact CB-CE2 4.47Å; V311-F316 HydrophobicContact CG1-CD2 3.79Å; V311-F316 HydrophobicContact CG1-CE2 3.67Å; Y313-F316 PolarHBondContact O-N 3.5Å; A314-F316 VanDerWaalsContact C-N 3.32Å; A314-F316 PolarHBondContact O-N 2.95Å
317I31.2Very low28.3Very low32 Ų3297.2 Ų97.216%0.16456%0.556CS.*Hα-helixtrans-87-29.4179.7-83.5176.2000112.1K232 Y313 A314 G319K232-I317 WeakPolarHBondContact O-CB 3.24Å; K232-I317 VanDerWaalsContact O-CD1 3.26Å; K232-I317 WeakPolarHBondContact O-CD1 3.46Å; K232-I317 WeakPolarHBondContact O-CG1 3.2Å; K232-I317 WeakPolarHBondContact O-CG2 3.48Å; Y313-I317 HydrophobicContact CD1-CD1 3.49Å; Y313-I317 VanDerWaalsContact CD1-CD1 3.49Å; Y313-I317 HydrophobicContact CD1-CG1 4.14Å; Y313-I317 HydrophobicContact CE1-CD1 3.77Å; Y313-I317 HydrophobicContact CE1-CG1 4.22Å; A314-I317 PolarHBondContact O-N 2.72Å; I317-G319 VanDerWaalsContact C-N 3.31Å; I317-G319 PolarHBondContact O-N 3.31Å; I317-G319 VanDerWaalsContact O-N 3.1Å
318T27.1Very low27.8Very low94 Ų9495 Ų9558%0.57756%0.558SS**  trans-89.767.3179.456.40000111A320T318-A320 PolarHBondContact O-N 2.97Å
319G23.3Very low27.2Very low80 Ų8099.6 Ų99.683%0.82559%0.59SS**  trans-73.649.5164.400000112.6I317I317-G319 VanDerWaalsContact C-N 3.31Å; I317-G319 PolarHBondContact O-N 3.31Å; I317-G319 VanDerWaalsContact O-N 3.1Å
320A25.2Very low27Very low71 Ų7199.5 Ų99.559%0.58761%0.605SS**  trans-123.3105.3175.700000109.8T318 V322T318-A320 PolarHBondContact O-N 2.97Å; A320-V322 PolarHBondContact O-N 2.69Å; A320-V322 VanDerWaalsContact O-N 3.16Å
321S22.4Very low26.6Very low110 Ų110105.4 Ų105.477%0.76963%0.634SS**  trans-47.1110.5153.21610000109.1
322V26.5Very low26.4Very low132 Ų132109.6 Ų109.680%0.865%0.652SS**  trans-102.8105.5167.3-164.30000107.1A320A320-V322 PolarHBondContact O-N 2.69Å; A320-V322 VanDerWaalsContact O-N 3.16Å
323D23.3Very low26Very low122 Ų122112.7 Ų112.765%0.65268%0.68SS**  trans-58147.4166.9-79.9-47.7000110.4I325D323-I325 PolarHBondContact O-N 2.83Å; D323-I325 VanDerWaalsContact O-N 3.08Å
324P24.2Very low25.7Very low123 Ų123114 Ų11480%0.79971%0.706SS**  trans-75.9102.5-176.530.2-31.3000110.2Q326P324-Q326 PolarHBondContact O-N 3.12Å
325I28.5Very low25.5Very low159 Ų159119.1 Ų119.182%0.81573%0.728SS**  trans-88.1100.8168.3-61.7176.9000109.5D323D323-I325 PolarHBondContact O-N 2.83Å; D323-I325 VanDerWaalsContact O-N 3.08Å
326Q23.6Very low25.4Very low179 Ų179122 Ų12284%0.83674%0.743SS**  trans16.1116.6146.6-71.6177-31.500120.1P324P324-Q326 PolarHBondContact O-N 3.12Å
327E23.1Very low25.3Very low198 Ų198124.5 Ų124.593%0.92575%0.751SS**  trans4.5127144.6-62.9-179.3163.500119.6
328A24.7Very low25Very low95 Ų95128.3 Ų128.379%0.78578%0.777SS**  trans-135148.6144.600000109.3
329P24.9Very low24.9Very low131 Ų131131.3 Ų131.385%0.85179%0.788SS**  trans-91.9154.9-141.8-0.618.8000115.4
330A23.7Very low25.2Very low94 Ų94133.3 Ų133.378%0.77778%0.776SS**  trans-44.6128.4176.200000115.7
331L24.1Very low25.3Very low167 Ų167138.6 Ų138.687%0.87479%0.788SS**  trans-165.796.3146.5-104144.4000108.1
332I28.8Very low25.5Very low170 Ų170136.9 Ų136.987%0.87277%0.771SS**  trans176.297.3139-82.1149.8000104.7
333A23.9Very low25.6Very low106 Ų106136 Ų13688%0.87675%0.753SS**  trans-81.7136.3171.400000109.1
334G25Very low25.9Very low69 Ų69133.8 Ų133.871%0.71174%0.744SS**  trans108.571.9159.800000115.5
335M25.9Very low26.2Very low125 Ų125129.5 Ų129.562%0.61672%0.715SS**  trans178.392.5136.6-97.4171.1173.800108.2Y337M335-Y337 VanDerWaalsContact C-N 3.33Å; M335-Y337 PolarHBondContact O-N 3.06Å
336N25.1Very low26.6Very low173 Ų173125.7 Ų125.793%0.92569%0.694SS**  trans-7288.8170.6-85.7-11.1000109.2
337Y25.7Very low27.6Very low185 Ų185120 Ų12073%0.72567%0.669SS**  trans-100.9129.1150.4-78.4-82.8000107.3M335 I339M335-Y337 VanDerWaalsContact C-N 3.33Å; M335-Y337 PolarHBondContact O-N 3.06Å; Y337-I339 PolarHBondContact O-N 3.39Å; Y337-I339 VanDerWaalsContact O-N 3.12Å
338P25.7Very low28.5Very low112 Ų112111.3 Ų111.373%0.72763%0.628SS**  trans-61120.7177.125.7-30.9000108.1E340P338-E340 PolarHBondContact O-N 3.4Å
339I26.2Very low29.3Very low156 Ų156109.1 Ų109.180%0.861%0.605SS**  trans-68.190.9168-59.7168000105.1Y337 E341Y337-I339 PolarHBondContact O-N 3.39Å; Y337-I339 VanDerWaalsContact O-N 3.12Å; I339-E341 PolarHBondContact O-N 2.72Å; I339-E341 VanDerWaalsContact O-N 3.09Å
340E27.8Very low30.3Very low122 Ų122104.7 Ų104.757%0.5758%0.576SS**  trans-64.4104.2167-80.5-175.8170.600107.6P338 D342 R343P338-E340 PolarHBondContact O-N 3.4Å; E340-D342 PolarHBondContact O-N 2.96Å; E340-R343 IonicContact OE2-CZ 2.68Å; E340-R343 IonicContact OE2-NE 2.7Å; E340-R343 PolarHBondContact OE2-NE 3.31Å; E340-R343 IonicContact OE2-NH2 3.46Å; E340-R343 PolarHBondContact OE2-NH2 3.31Å
341E28Very low31.6Very low182 Ų182100.4 Ų100.485%0.8554%0.54SS*.SBendtrans-65.512.2179.3-92.2179.315800115.2I339I339-E341 PolarHBondContact O-N 2.72Å; I339-E341 VanDerWaalsContact O-N 3.09Å
342D27.3Very low33.3Very low75 Ų7598 Ų9840%0.40153%0.525SS..  trans-117.935-163.6-158.726.9000115.4E340E340-D342 PolarHBondContact O-N 2.96Å
343R28.4Very low34.6Very low113 Ų11397.3 Ų97.343%0.42651%0.511SS..  trans-145.156.9-176.5-59.4-173-161.9-158.44.1115.7R19 E340R19-R343 VanDerWaalsContact NH1-CZ 3.32Å; R19-R343 VanDerWaalsContact NH2-NH1 3.12Å; E340-R343 IonicContact OE2-CZ 2.68Å; E340-R343 IonicContact OE2-NE 2.7Å; E340-R343 PolarHBondContact OE2-NE 3.31Å; E340-R343 IonicContact OE2-NH2 3.46Å; E340-R343 PolarHBondContact OE2-NH2 3.31Å
344T28.7Very low36.7Very low76 Ų7697.1 Ų97.147%0.46649%0.492SS..  trans-148.274.2-178.650.60000114.8Q379T344-Q379 HydrophobicContact CG2-CB 4.39Å; T344-Q379 VanDerWaalsContact O-CD 3.22Å; T344-Q379 PolarHBondContact O-NE2 3.43Å
345V31.5Very low38.6Very low32 Ų3294.2 Ų94.219%0.19446%0.46CS..SBendtrans-144.936151.3-156.50000110.8K169K169-V345 HydrophobicContact CD-CB 4.47Å; K169-V345 HydrophobicContact CD-CG1 4.37Å; K169-V345 HydrophobicContact CD-CG2 3.45Å; K169-V345 VanDerWaalsContact CD-CG2 3.45Å; K169-V345 HydrophobicContact CG-CB 4.44Å; K169-V345 HydrophobicContact CG-CG1 4.05Å; K169-V345 HydrophobicContact CG-CG2 3.9Å; K169-V345 VanDerWaalsContact NZ-CG2 3.31Å
346E37Very low40.5Very low79 Ų7989.4 Ų89.437%0.36944%0.436SS..  trans-113.7134.4-174.5-63176.8177.100108T166 I382T166-E346 HydrophobicContact CG2-CB 3.83Å; T166-E346 HydrophobicContact CG2-CG 4.03Å; E346-I382 WeakPolarHBondContact O-CD1 3.43Å
347M44.5Very low42.5Very low61 Ų6182 Ų8230%0.340%0.397SS..  trans98.118.5153.9-42.6170.760.800122P349 T350 I382M347-P349 VanDerWaalsContact C-N 3.3Å; M347-P349 VanDerWaalsContact O-N 3.15Å; M347-T350 HydrophobicContact CB-CG2 4.11Å; M347-T350 HydrophobicContact CE-CG2 3.83Å; M347-T350 PolarHBondContact O-N 3.05Å; M347-T350 PolarHBondContact O-OG1 2.69Å; M347-I382 HydrophobicContact CB-CD1 3.93Å; M347-I382 HydrophobicContact CB-CG1 4.27Å; M347-I382 HydrophobicContact CB-CG2 3.84Å; M347-I382 HydrophobicContact CE-CG2 4.21Å; M347-I382 HydrophobicContact CG-CG2 4.1Å; M347-I382 HydrophobicContact SD-CG2 3.46Å; M347-I382 WeakPolarHBondContact SD-CG2 3.42Å
348F42.5Very low44.4Very low15 Ų1576.4 Ų76.47%0.06638%0.382CS..G310 helixtrans-51.1-34.9170.3-66.3-79.9000116.1M165 T350 L351 Q356 P357 V375 C378 Q379M165-F348 HydrophobicContact CE-CB 3.91Å; M165-F348 HydrophobicContact CE-CD2 4.43Å; M165-F348 HydrophobicContact CE-CG 4.48Å; M165-F348 HydrophobicContact SD-CB 4.47Å; F348-T350 PolarHBondContact O-N 2.82Å; F348-L351 HydrophobicContact CD1-CD1 4.25Å; F348-L351 WeakPolarHBondContact O-CB 3.44Å; F348-L351 PolarHBondContact O-N 2.78Å; F348-Q356 PolarHBondContact O-NE2 3.33Å; F348-P357 VanDerWaalsContact CD1-CD 3.45Å; F348-P357 HydrophobicContact CD1-CG 3.81Å; F348-P357 HydrophobicContact CE1-CG 3.48Å; F348-P357 VanDerWaalsContact CE1-CG 3.48Å; F348-P357 HydrophobicContact CZ-CG 4.4Å; F348-V375 HydrophobicContact CE1-CB 4.48Å; F348-V375 HydrophobicContact CE1-CG2 4.27Å; F348-V375 HydrophobicContact CE2-CG1 4.38Å; F348-V375 HydrophobicContact CZ-CB 3.97Å; F348-V375 HydrophobicContact CZ-CG1 3.74Å; F348-V375 HydrophobicContact CZ-CG2 3.89Å; F348-C378 HydrophobicContact CD1-CB 3.74Å; F348-C378 HydrophobicContact CE1-CB 3.18Å; F348-C378 HydrophobicContact CZ-CB 4.09Å; F348-Q379 HydrophobicContact CZ-CG 4.29Å
349P39.8Very low46.1Very low48 Ų4873.6 Ų73.631%0.31236%0.36SS..G310 helixtrans-65.4-18.5176.2-2030.2000115.1Q162 M165 M347 L351Q162-P349 HydrophobicContact CG-CB 4.44Å; M165-P349 HydrophobicContact CB-CG 4.07Å; M165-P349 HydrophobicContact CG-CG 4.08Å; M165-P349 HydrophobicContact SD-CG 3.54Å; M165-P349 VanDerWaalsContact SD-CG 3.54Å; M347-P349 VanDerWaalsContact C-N 3.3Å; M347-P349 VanDerWaalsContact O-N 3.15Å; P349-L351 VanDerWaalsContact C-N 3.26Å
350T46.7Very low47.9Very low39 Ų3966.4 Ų66.424%0.23932%0.324CS..G310 helixtrans-81.2-12175.667.80000112.3Q162 M347 F348 R385Q162-T350 VanDerWaalsContact NE2-CG2 3.33Å; M347-T350 HydrophobicContact CB-CG2 4.11Å; M347-T350 HydrophobicContact CE-CG2 3.83Å; M347-T350 PolarHBondContact O-N 3.05Å; M347-T350 PolarHBondContact O-OG1 2.69Å; F348-T350 PolarHBondContact O-N 2.82Å; T350-R385 PolarHBondContact O-NH1 3.17Å
351L51.7Low49.7Very low3 Ų366 Ų662%0.01632%0.324CS..SBendtrans-81.4137.9171.1-61.4176.9000108.9F348 P349 L355 Q356 C378 L381 I382F348-L351 HydrophobicContact CD1-CD1 4.25Å; F348-L351 WeakPolarHBondContact O-CB 3.44Å; F348-L351 PolarHBondContact O-N 2.78Å; P349-L351 VanDerWaalsContact C-N 3.26Å; L351-L355 HydrophobicContact CB-CB 4.12Å; L351-Q356 HydrophobicContact CB-CG 4.28Å; L351-Q356 PolarHBondContact O-NE2 3.36Å; L351-C378 HydrophobicContact CD1-CB 3.62Å; L351-L381 HydrophobicContact CD2-CD2 3.6Å; L351-L381 HydrophobicContact CD2-CG 4.18Å; L351-I382 HydrophobicContact CD1-CD1 3.95Å; L351-I382 HydrophobicContact CD1-CG1 4.23Å; L351-I382 HydrophobicContact CD2-CG1 4.08Å; L351-I382 HydrophobicContact CG-CD1 4.19Å; L351-I382 HydrophobicContact CG-CG1 4.15Å
352E58.2Low50.8Low118 Ų11859.7 Ų59.755%0.55130%0.3SS*.  trans-55.8147.2172.9-66.1178.5-153.700109.7H354 L355E352-H354 PolarHBondContact O-N 3.06Å; E352-H354 IonicContact OE2-CE1 3.97Å; E352-H354 PolarHBondContact OE2-CE1 2.72Å; E352-H354 IonicContact OE2-ND1 3.79Å; E352-L355 HydrophobicContact CB-CD1 4.44Å; E352-L355 WeakPolarHBondContact O-CB 3.38Å; E352-L355 PolarHBondContact O-N 3.33Å
353R57.6Low52.6Low154 Ų15460 Ų6058%0.58132%0.32SS*.G310 helixtrans-51.4-30.3-171.8-167.3-177-176-172.61.4113.7L355 R444R353-L355 VanDerWaalsContact C-N 3.29Å; R353-L355 PolarHBondContact O-N 3.11Å; R353-R444 PolarHBondContact O-NH2 3.5Å
354H66.4Low54.7Low103 Ų10358.9 Ų58.948%0.47732%0.319SS..G310 helixtrans-78.3-10.4-179.675.3-93.2000114.2E352 R444E352-H354 PolarHBondContact O-N 3.06Å; E352-H354 IonicContact OE2-CE1 3.97Å; E352-H354 PolarHBondContact OE2-CE1 2.72Å; E352-H354 IonicContact OE2-ND1 3.79Å; H354-R444 VanDerWaalsContact C-CZ 3.5Å; H354-R444 VanDerWaalsContact O-CD 3.23Å; H354-R444 WeakPolarHBondContact O-CD 3.43Å; H354-R444 PolarHBondContact O-NE 2.93Å; H354-R444 VanDerWaalsContact O-NE 3.1Å; H354-R444 PolarHBondContact O-NH1 3.28Å
355L66.3Low56.9Low8 Ų862 Ų624%0.04233%0.333CS..G310 helixtrans-106.1-3.6178.7-60.7175.4000112.8L351 E352 R353 C378 L381 L437 I440L351-L355 HydrophobicContact CB-CB 4.12Å; E352-L355 HydrophobicContact CB-CD1 4.44Å; E352-L355 WeakPolarHBondContact O-CB 3.38Å; E352-L355 PolarHBondContact O-N 3.33Å; R353-L355 VanDerWaalsContact C-N 3.29Å; R353-L355 PolarHBondContact O-N 3.11Å; L355-C378 PolarHBondContact O-SG 2.58Å; L355-L381 HydrophobicContact CD1-CD2 4.19Å; L355-L437 HydrophobicContact CD1-CD2 3.49Å; L355-L437 VanDerWaalsContact CD1-CD2 3.49Å; L355-L437 HydrophobicContact CD2-CD2 3.61Å; L355-L437 HydrophobicContact CG-CD2 4.21Å; L355-I440 HydrophobicContact CB-CG2 4.4Å; L355-I440 HydrophobicContact CD2-CG2 3.72Å
356Q65.9Low59Low24 Ų2465.9 Ų65.911%0.11235%0.349CS..SBendtrans-78142.5179.4-67.7175.4-1.600110.3Y187 F348 L351 V358 R444Y187-Q356 PolarHBondContact OH-OE1 3.25Å; F348-Q356 PolarHBondContact O-NE2 3.33Å; L351-Q356 HydrophobicContact CB-CG 4.28Å; L351-Q356 PolarHBondContact O-NE2 3.36Å; Q356-V358 PolarHBondContact O-N 2.85Å; Q356-R444 PolarHBondContact O-NE 3.36Å; Q356-R444 PolarHBondContact O-NH2 2.9Å
357P66.6Low60.7Low16 Ų1662.7 Ų62.710%0.10434%0.336CS..PPolyproline II helixtrans-57.6136.6175-23.733000112.2F348 Y371 H374 V375F348-P357 VanDerWaalsContact CD1-CD 3.45Å; F348-P357 HydrophobicContact CD1-CG 3.81Å; F348-P357 HydrophobicContact CE1-CG 3.48Å; F348-P357 VanDerWaalsContact CE1-CG 3.48Å; F348-P357 HydrophobicContact CZ-CG 4.4Å; P357-Y371 HydrophobicContact CB-CD2 3.74Å; P357-Y371 HydrophobicContact CB-CE2 3.71Å; P357-H374 HydrophobicContact CB-CB 4.26Å; P357-H374 HydrophobicContact CG-CB 4.49Å; P357-V375 HydrophobicContact CB-CG2 4.19Å; P357-V375 HydrophobicContact CG-CG2 3.86Å
358V66.2Low61.8Low69 Ų6961.4 Ų61.442%0.41833%0.331SS..PPolyproline II helixtrans-79.5136.4168.8-178.80000107.5Q356 Y371Q356-V358 PolarHBondContact O-N 2.85Å; V358-Y371 VanDerWaalsContact O-CD2 3.3Å; V358-Y371 WeakPolarHBondContact O-CD2 3.49Å
359L60Low63.3Low52 Ų5263.4 Ų63.427%0.27235%0.351SS..PPolyproline II helixtrans-62.4138.8-175.8-69.7175.9000111.1W183 L184 Y235 Y371W183-L359 HydrophobicContact CH2-CD2 4.08Å; W183-L359 HydrophobicContact CZ3-CD1 4.24Å; W183-L359 HydrophobicContact CZ3-CD2 4.24Å; L184-L359 HydrophobicContact CD2-CD1 3.58Å; Y235-L359 HydrophobicContact CD2-CD2 4.18Å; Y235-L359 HydrophobicContact CE2-CD1 4.48Å; Y235-L359 HydrophobicContact CE2-CD2 3.67Å; Y235-L359 HydrophobicContact CE2-CG 4.5Å; L359-Y371 HydrophobicContact CD2-CE2 4.27Å
360P66Low65Low5 Ų562.7 Ų62.73%0.03234%0.344CS..PPolyproline II helixtrans-76.2149178.431.7-29.9000110.3Y235 P362 S367 V368 Y371Y235-P360 HydrophobicContact CD1-CG 4.18Å; Y235-P360 HydrophobicContact CE1-CG 3.71Å; Y235-P360 PolarHBondContact OH-O 2.86Å; Y235-P360 VanDerWaalsContact OH-O 3.13Å; P360-P362 VanDerWaalsContact O-CD 3.25Å; P360-P362 WeakPolarHBondContact O-CD 3.23Å; P360-S367 VanDerWaalsContact CA-OG 3.32Å; P360-S367 WeakPolarHBondContact CA-OG 3.29Å; P360-S367 VanDerWaalsContact CB-C 3.48Å; P360-S367 VanDerWaalsContact CB-O 3.27Å; P360-S367 WeakPolarHBondContact CB-O 3.45Å; P360-V368 HydrophobicContact CB-CB 4.43Å; P360-V368 HydrophobicContact CB-CG2 4.09Å; P360-V368 HydrophobicContact CG-CG2 4.45Å; P360-Y371 HydrophobicContact CB-CG 4.21Å; P360-Y371 VanDerWaalsContact CD-CG 3.45Å; P360-Y371 HydrophobicContact CG-CD1 3.81Å; P360-Y371 HydrophobicContact CG-CD2 4.29Å; P360-Y371 HydrophobicContact CG-CG 3.66Å
361I63.8Low66.2Low113 Ų11363.2 Ų63.258%0.57934%0.342SS*.PPolyproline II helixtrans-72.7116.8171.1-58.4172.3000108.1G363 H364 S367I361-G363 PolarHBondContact O-N 3.12Å; I361-H364 HydrophobicContact CB-CB 4.18Å; I361-H364 HydrophobicContact CG2-CB 4.32Å; I361-H364 WeakPolarHBondContact O-CB 3.36Å; I361-H364 PolarHBondContact O-N 3.07Å; I361-S367 PolarHBondContact N-OG 2.71Å
362P52Low67.1Low51 Ų5168.4 Ų68.433%0.33137%0.366SS..THydrogen-bonded Turntrans-62.8137.3-179.6-24.337.6000111.7Y235 W239 P360 H364Y235-P362 HydrophobicContact CE1-CG 4.4Å; W239-P362 HydrophobicContact CD2-CB 4.45Å; W239-P362 HydrophobicContact CD2-CG 3.66Å; W239-P362 HydrophobicContact CE3-CG 4.1Å; W239-P362 HydrophobicContact CG-CG 4.08Å; W239-P362 HydrophobicContact CH2-CG 4.26Å; W239-P362 HydrophobicContact CZ2-CG 3.85Å; W239-P362 HydrophobicContact CZ3-CG 4.37Å; P360-P362 VanDerWaalsContact O-CD 3.25Å; P360-P362 WeakPolarHBondContact O-CD 3.23Å; P362-H364 VanDerWaalsContact C-N 3.26Å; P362-H364 PolarHBondContact O-N 3.09Å
363G63.9Low68Low80 Ų8064 Ų6483%0.82535%0.352SS*.THydrogen-bonded Turntrans82.1-1.5-176.100000114.6I361I361-G363 PolarHBondContact O-N 3.12Å
364H73.9Confident68.8Low91 Ų9157.1 Ų57.142%0.42133%0.326SS..  trans-105.596.8171.6-158.9-85.1000109.3I361 P362 E366 S367 V368I361-H364 HydrophobicContact CB-CB 4.18Å; I361-H364 HydrophobicContact CG2-CB 4.32Å; I361-H364 WeakPolarHBondContact O-CB 3.36Å; I361-H364 PolarHBondContact O-N 3.07Å; P362-H364 VanDerWaalsContact C-N 3.26Å; P362-H364 PolarHBondContact O-N 3.09Å; H364-E366 IonicContact CE1-OE2 3.3Å; H364-E366 PolarHBondContact CE1-OE2 3.39Å; H364-E366 VanDerWaalsContact CE1-OE2 3.3Å; H364-E366 PolarHBondContact O-N 2.73Å; H364-E366 VanDerWaalsContact O-N 3.16Å; H364-S367 PolarHBondContact ND1-N 3.41Å; H364-S367 WeakPolarHBondContact O-CB 3.29Å; H364-S367 PolarHBondContact O-N 3.26Å; H364-V368 PolarHBondContact O-N 3.27Å
365D73.6Confident69Low140 Ų14053.3 Ų53.375%0.74931%0.31SS*.Hα-helixtrans-54-38.7-173.4-69.8-21.5000112.5S367 V368 A369D365-S367 VanDerWaalsContact C-N 3.34Å; D365-S367 PolarHBondContact O-N 2.97Å; D365-V368 PolarHBondContact O-N 3.36Å; D365-A369 WeakPolarHBondContact O-CB 3.38Å; D365-A369 PolarHBondContact O-N 3.18Å
366E75.9Confident69.3Low115 Ų11554.9 Ų54.954%0.53733%0.325SS..Hα-helixtrans-64.8-37.3176.9-64.2171.6173.600112.3H364 A369 L370H364-E366 IonicContact CE1-OE2 3.3Å; H364-E366 PolarHBondContact CE1-OE2 3.39Å; H364-E366 VanDerWaalsContact CE1-OE2 3.3Å; H364-E366 PolarHBondContact O-N 2.73Å; H364-E366 VanDerWaalsContact O-N 3.16Å; E366-A369 PolarHBondContact O-N 2.82Å; E366-L370 WeakPolarHBondContact O-CB 3.35Å; E366-L370 PolarHBondContact O-N 3.47Å
367S73Confident69.8Low12 Ų1254.3 Ų54.38%0.08432%0.322CS..Hα-helixtrans-71.3-40.9179.7-1690000110.4P360 I361 H364 D365 L370 Y371P360-S367 VanDerWaalsContact CA-OG 3.32Å; P360-S367 WeakPolarHBondContact CA-OG 3.29Å; P360-S367 VanDerWaalsContact CB-C 3.48Å; P360-S367 VanDerWaalsContact CB-O 3.27Å; P360-S367 WeakPolarHBondContact CB-O 3.45Å; I361-S367 PolarHBondContact N-OG 2.71Å; H364-S367 PolarHBondContact ND1-N 3.41Å; H364-S367 WeakPolarHBondContact O-CB 3.29Å; H364-S367 PolarHBondContact O-N 3.26Å; D365-S367 VanDerWaalsContact C-N 3.34Å; D365-S367 PolarHBondContact O-N 2.97Å; S367-L370 WeakPolarHBondContact O-CB 3.46Å; S367-L370 PolarHBondContact O-N 2.89Å; S367-Y371 PolarHBondContact O-N 3.42Å
368V68.5Low70Confident34 Ų3453.6 Ų53.621%0.20632%0.317CS..Hα-helixtrans-61.3-46.5173.9177.70000110.8P360 H364 D365 L370 Y371 E372P360-V368 HydrophobicContact CB-CB 4.43Å; P360-V368 HydrophobicContact CB-CG2 4.09Å; P360-V368 HydrophobicContact CG-CG2 4.45Å; H364-V368 PolarHBondContact O-N 3.27Å; D365-V368 PolarHBondContact O-N 3.36Å; V368-L370 PolarHBondContact O-N 2.93Å; V368-Y371 PolarHBondContact O-N 3.37Å; V368-E372 HydrophobicContact CG1-CG 4.44Å; V368-E372 WeakPolarHBondContact O-CG 3.33Å; V368-E372 PolarHBondContact O-N 3.38Å
369A74.2Confident70Confident57 Ų5751.7 Ų51.747%0.47130%0.304SS..Hα-helixtrans-61.9-41.9177.100000112.4D365 E366 E372 G373D365-A369 WeakPolarHBondContact O-CB 3.38Å; D365-A369 PolarHBondContact O-N 3.18Å; E366-A369 PolarHBondContact O-N 2.82Å; A369-E372 PolarHBondContact O-N 3.36Å; A369-G373 PolarHBondContact O-N 3.46Å
370L74.2Confident70.6Confident32 Ų3257 Ų5717%0.16832%0.321CS..Hα-helixtrans-58.9-46.1173.5-94154.8000111.8E366 S367 V368 G373 H374 F443 E448E366-L370 WeakPolarHBondContact O-CB 3.35Å; E366-L370 PolarHBondContact O-N 3.47Å; S367-L370 WeakPolarHBondContact O-CB 3.46Å; S367-L370 PolarHBondContact O-N 2.89Å; V368-L370 PolarHBondContact O-N 2.93Å; L370-G373 PolarHBondContact O-N 3.48Å; L370-H374 WeakPolarHBondContact O-CB 3.23Å; L370-H374 PolarHBondContact O-N 3.3Å; L370-F443 HydrophobicContact CD2-CD1 3.75Å; L370-F443 HydrophobicContact CD2-CE1 3.86Å; L370-E448 HydrophobicContact CD1-CB 3.74Å
371Y72.7Confident71Confident51 Ų5156.8 Ų56.820%0.232%0.319CS..Hα-helixtrans-62.3-46.7175.9170.9-103000112.1P357 V358 L359 P360 S367 V368 G373 H374 V375P357-Y371 HydrophobicContact CB-CD2 3.74Å; P357-Y371 HydrophobicContact CB-CE2 3.71Å; V358-Y371 VanDerWaalsContact O-CD2 3.3Å; V358-Y371 WeakPolarHBondContact O-CD2 3.49Å; L359-Y371 HydrophobicContact CD2-CE2 4.27Å; P360-Y371 HydrophobicContact CB-CG 4.21Å; P360-Y371 VanDerWaalsContact CD-CG 3.45Å; P360-Y371 HydrophobicContact CG-CD1 3.81Å; P360-Y371 HydrophobicContact CG-CD2 4.29Å; P360-Y371 HydrophobicContact CG-CG 3.66Å; S367-Y371 PolarHBondContact O-N 3.42Å; V368-Y371 PolarHBondContact O-N 3.37Å; Y371-G373 VanDerWaalsContact C-N 3.34Å; Y371-G373 PolarHBondContact O-N 2.97Å; Y371-H374 PolarHBondContact O-N 3.1Å; Y371-V375 HydrophobicContact CD1-CG2 4.14Å; Y371-V375 HydrophobicContact CD2-CG2 4.15Å; Y371-V375 HydrophobicContact CE1-CG2 3.78Å; Y371-V375 HydrophobicContact CE2-CG2 3.84Å; Y371-V375 HydrophobicContact CG-CG2 4.33Å; Y371-V375 WeakPolarHBondContact O-CB 2.91Å; Y371-V375 VanDerWaalsContact O-CG2 3.27Å; Y371-V375 WeakPolarHBondContact O-CG2 3.1Å; Y371-V375 PolarHBondContact O-N 2.93Å
372E70.7Confident71.2Confident112 Ų11252 Ų5252%0.52329%0.294SS..Hα-helixtrans-61.5-41.7178.7-73-178.6168.800111.7V368 A369 V375 A376V368-E372 HydrophobicContact CG1-CG 4.44Å; V368-E372 WeakPolarHBondContact O-CG 3.33Å; V368-E372 PolarHBondContact O-N 3.38Å; A369-E372 PolarHBondContact O-N 3.36Å; E372-V375 WeakPolarHBondContact O-CB 3.26Å; E372-V375 PolarHBondContact O-N 3.04Å; E372-A376 PolarHBondContact O-N 2.99Å
373G75.8Confident72.1Confident25 Ų2551 Ų5126%0.25829%0.294SS..Hα-helixtrans-61.9-44.5173.300000112.7A369 L370 Y371 A376 L377A369-G373 PolarHBondContact O-N 3.46Å; L370-G373 PolarHBondContact O-N 3.48Å; Y371-G373 VanDerWaalsContact C-N 3.34Å; Y371-G373 PolarHBondContact O-N 2.97Å; G373-A376 WeakPolarHBondContact O-CB 2.76Å; G373-A376 PolarHBondContact O-N 3.42Å; G373-L377 WeakPolarHBondContact O-CG 3.5Å; G373-L377 PolarHBondContact O-N 3.37Å
374H76.3Confident72.5Confident9 Ų948 Ų484%0.04226%0.259CS..Hα-helixtrans-65.9-40.4177.5-164.5167.1000111.7P357 L370 Y371 A376 L377 C378 F443P357-H374 HydrophobicContact CB-CB 4.26Å; P357-H374 HydrophobicContact CG-CB 4.49Å; L370-H374 WeakPolarHBondContact O-CB 3.23Å; L370-H374 PolarHBondContact O-N 3.3Å; Y371-H374 PolarHBondContact O-N 3.1Å; H374-A376 VanDerWaalsContact C-N 3.33Å; H374-A376 PolarHBondContact O-N 3.48Å; H374-L377 PolarHBondContact O-N 3.29Å; H374-C378 VanDerWaalsContact CD2-SG 3.57Å; H374-C378 WeakPolarHBondContact O-CB 3.4Å; H374-C378 PolarHBondContact O-N 3.03Å; H374-C378 PolarHBondContact O-SG 3.46Å; H374-F443 HydrophobicContact CB-CD1 4.33Å
375V68.6Low72.6Confident23 Ų2346.4 Ų46.414%0.13925%0.249CC..Hα-helixtrans-56.7-46.7171.7159.70000110.4F348 P357 Y371 E372 C378 Q379F348-V375 HydrophobicContact CE1-CB 4.48Å; F348-V375 HydrophobicContact CE1-CG2 4.27Å; F348-V375 HydrophobicContact CE2-CG1 4.38Å; F348-V375 HydrophobicContact CZ-CB 3.97Å; F348-V375 HydrophobicContact CZ-CG1 3.74Å; F348-V375 HydrophobicContact CZ-CG2 3.89Å; P357-V375 HydrophobicContact CB-CG2 4.19Å; P357-V375 HydrophobicContact CG-CG2 3.86Å; Y371-V375 HydrophobicContact CD1-CG2 4.14Å; Y371-V375 HydrophobicContact CD2-CG2 4.15Å; Y371-V375 HydrophobicContact CE1-CG2 3.78Å; Y371-V375 HydrophobicContact CE2-CG2 3.84Å; Y371-V375 HydrophobicContact CG-CG2 4.33Å; Y371-V375 WeakPolarHBondContact O-CB 2.91Å; Y371-V375 VanDerWaalsContact O-CG2 3.27Å; Y371-V375 WeakPolarHBondContact O-CG2 3.1Å; Y371-V375 PolarHBondContact O-N 2.93Å; E372-V375 WeakPolarHBondContact O-CB 3.26Å; E372-V375 PolarHBondContact O-N 3.04Å; V375-C378 PolarHBondContact O-N 2.98Å; V375-Q379 VanDerWaalsContact O-CG 3.27Å; V375-Q379 WeakPolarHBondContact O-CG 3.44Å; V375-Q379 PolarHBondContact O-N 3.39Å
376A72.7Confident72.5Confident42 Ų4244 Ų4435%0.34723%0.232SC..Hα-helixtrans-63.2-41.6178.200000112.7E372 G373 H374 Q379 R380E372-A376 PolarHBondContact O-N 2.99Å; G373-A376 WeakPolarHBondContact O-CB 2.76Å; G373-A376 PolarHBondContact O-N 3.42Å; H374-A376 VanDerWaalsContact C-N 3.33Å; H374-A376 PolarHBondContact O-N 3.48Å; A376-Q379 PolarHBondContact O-N 2.83Å; A376-R380 WeakPolarHBondContact O-CG 3.37Å; A376-R380 PolarHBondContact O-N 3.39Å; A376-R380 VanDerWaalsContact O-N 3.09Å
377L76.6Confident72.5Confident12 Ų1243.4 Ų43.46%0.06323%0.229CC..Hα-helixtrans-63.4-44.2175.7-72.6175.3000112.4G373 H374 Q379 R380 L381 L436 Q439 I440 F443G373-L377 WeakPolarHBondContact O-CG 3.5Å; G373-L377 PolarHBondContact O-N 3.37Å; H374-L377 PolarHBondContact O-N 3.29Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 3.35Å; L377-R380 WeakPolarHBondContact O-CB 3.34Å; L377-R380 PolarHBondContact O-N 2.99Å; L377-L381 PolarHBondContact O-N 3.43Å; L377-L436 HydrophobicContact CD2-CD2 3.81Å; L377-Q439 HydrophobicContact CD1-CB 3.99Å; L377-Q439 HydrophobicContact CD2-CB 4.14Å; L377-Q439 VanDerWaalsContact CD2-OE1 3.32Å; L377-I440 HydrophobicContact CB-CD1 4.32Å; L377-I440 HydrophobicContact CB-CG1 3.79Å; L377-I440 HydrophobicContact CD1-CG1 4.28Å; L377-F443 HydrophobicContact CD1-CD2 3.47Å; L377-F443 VanDerWaalsContact CD1-CD2 3.47Å; L377-F443 HydrophobicContact CD1-CE2 3.59Å; L377-F443 HydrophobicContact CD1-CG 4.14Å; L377-F443 HydrophobicContact CD1-CZ 4.34Å
378C71.6Confident72.5Confident0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-62.7-40.4176.5-71.40000112.2F348 L351 L355 H374 V375 R380 L381 I382F348-C378 HydrophobicContact CD1-CB 3.74Å; F348-C378 HydrophobicContact CE1-CB 3.18Å; F348-C378 HydrophobicContact CZ-CB 4.09Å; L351-C378 HydrophobicContact CD1-CB 3.62Å; L355-C378 PolarHBondContact O-SG 2.58Å; H374-C378 VanDerWaalsContact CD2-SG 3.57Å; H374-C378 WeakPolarHBondContact O-CB 3.4Å; H374-C378 PolarHBondContact O-N 3.03Å; H374-C378 PolarHBondContact O-SG 3.46Å; V375-C378 PolarHBondContact O-N 2.98Å; C378-R380 VanDerWaalsContact C-N 3.33Å; C378-R380 PolarHBondContact O-N 3.14Å; C378-L381 WeakPolarHBondContact O-CB 3.49Å; C378-L381 PolarHBondContact O-N 3.38Å; C378-I382 WeakPolarHBondContact O-CD1 3.29Å; C378-I382 VanDerWaalsContact O-CG1 3.31Å; C378-I382 WeakPolarHBondContact O-CG1 3.48Å; C378-I382 PolarHBondContact O-N 2.99Å
379Q65.5Low72.9Confident29 Ų2947.3 Ų47.314%0.13624%0.244CC..Hα-helixtrans-60.2-43.6175.3-75.1168.3-0.800111.3T344 F348 V375 A376 L377 L381 I382 G383T344-Q379 HydrophobicContact CG2-CB 4.39Å; T344-Q379 VanDerWaalsContact O-CD 3.22Å; T344-Q379 PolarHBondContact O-NE2 3.43Å; F348-Q379 HydrophobicContact CZ-CG 4.29Å; V375-Q379 VanDerWaalsContact O-CG 3.27Å; V375-Q379 WeakPolarHBondContact O-CG 3.44Å; V375-Q379 PolarHBondContact O-N 3.39Å; A376-Q379 PolarHBondContact O-N 2.83Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 3.35Å; Q379-L381 VanDerWaalsContact C-N 3.34Å; Q379-L381 PolarHBondContact O-N 3.28Å; Q379-I382 PolarHBondContact O-N 2.78Å; Q379-G383 PolarHBondContact O-N 3.18Å
380R73.7Confident73Confident165 Ų16547.3 Ų47.362%0.62324%0.239SC*.Hα-helixtrans-61-42.5173.5-70.9178.2173.1-176.3-2111.8A376 L377 C378 I382 G383 L384 L436A376-R380 WeakPolarHBondContact O-CG 3.37Å; A376-R380 PolarHBondContact O-N 3.39Å; A376-R380 VanDerWaalsContact O-N 3.09Å; L377-R380 WeakPolarHBondContact O-CB 3.34Å; L377-R380 PolarHBondContact O-N 2.99Å; C378-R380 VanDerWaalsContact C-N 3.33Å; C378-R380 PolarHBondContact O-N 3.14Å; R380-I382 VanDerWaalsContact C-N 3.35Å; R380-I382 PolarHBondContact O-N 3.31Å; R380-G383 PolarHBondContact O-N 2.92Å; R380-L384 PolarHBondContact O-N 3.14Å; R380-L436 HydrophobicContact CB-CD1 3.54Å; R380-L436 HydrophobicContact CB-CD2 4.11Å
381L74.4Confident73.1Confident0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-63-41.4179.3-179.466.1000112L351 L355 L377 C378 Q379 L384 R385 K433 L436 L437 I440L351-L381 HydrophobicContact CD2-CD2 3.6Å; L351-L381 HydrophobicContact CD2-CG 4.18Å; L355-L381 HydrophobicContact CD1-CD2 4.19Å; L377-L381 PolarHBondContact O-N 3.43Å; C378-L381 WeakPolarHBondContact O-CB 3.49Å; C378-L381 PolarHBondContact O-N 3.38Å; Q379-L381 VanDerWaalsContact C-N 3.34Å; Q379-L381 PolarHBondContact O-N 3.28Å; L381-L384 PolarHBondContact O-N 2.88Å; L381-R385 PolarHBondContact O-N 3.08Å; L381-R385 VanDerWaalsContact O-N 3.14Å; L381-K433 HydrophobicContact CD1-CG 3.67Å; L381-L436 HydrophobicContact CB-CD1 4.24Å; L381-L436 HydrophobicContact CD1-CB 4.31Å; L381-L437 HydrophobicContact CD1-CD2 4.11Å; L381-L437 HydrophobicContact CD1-CG 4.02Å; L381-L437 HydrophobicContact CD2-CD2 3.64Å; L381-L437 HydrophobicContact CD2-CG 4.42Å; L381-I440 HydrophobicContact CB-CD1 4.25Å; L381-I440 HydrophobicContact CD2-CD1 3.72Å
382I67.2Low73.2Confident12 Ų1246.9 Ų46.96%0.06224%0.239CC..Hα-helixtrans-64.8-46175.7-70.8157.8000110.5E346 M347 L351 C378 Q379 R380 L384 R385 K386E346-I382 WeakPolarHBondContact O-CD1 3.43Å; M347-I382 HydrophobicContact CB-CD1 3.93Å; M347-I382 HydrophobicContact CB-CG1 4.27Å; M347-I382 HydrophobicContact CB-CG2 3.84Å; M347-I382 HydrophobicContact CE-CG2 4.21Å; M347-I382 HydrophobicContact CG-CG2 4.1Å; M347-I382 HydrophobicContact SD-CG2 3.46Å; M347-I382 WeakPolarHBondContact SD-CG2 3.42Å; L351-I382 HydrophobicContact CD1-CD1 3.95Å; L351-I382 HydrophobicContact CD1-CG1 4.23Å; L351-I382 HydrophobicContact CD2-CG1 4.08Å; L351-I382 HydrophobicContact CG-CD1 4.19Å; L351-I382 HydrophobicContact CG-CG1 4.15Å; C378-I382 WeakPolarHBondContact O-CD1 3.29Å; C378-I382 VanDerWaalsContact O-CG1 3.31Å; C378-I382 WeakPolarHBondContact O-CG1 3.48Å; C378-I382 PolarHBondContact O-N 2.99Å; Q379-I382 PolarHBondContact O-N 2.78Å; R380-I382 VanDerWaalsContact C-N 3.35Å; R380-I382 PolarHBondContact O-N 3.31Å; I382-L384 VanDerWaalsContact C-N 3.3Å; I382-L384 PolarHBondContact O-N 3Å; I382-R385 WeakPolarHBondContact O-CB 3.29Å; I382-R385 PolarHBondContact O-N 3.42Å; I382-R385 VanDerWaalsContact O-N 3.1Å; I382-K386 PolarHBondContact O-N 3.21Å; I382-K386 VanDerWaalsContact O-N 3.16Å
383G70.5Confident73.5Confident31 Ų3147.7 Ų47.732%0.3224%0.243SC..Hα-helixtrans-56-43.6175.700000112.7Q379 R380 R385 K386 Q387Q379-G383 PolarHBondContact O-N 3.18Å; R380-G383 PolarHBondContact O-N 2.92Å; G383-R385 PolarHBondContact O-N 3.07Å; G383-K386 PolarHBondContact O-N 3.21Å; G383-Q387 WeakPolarHBondContact O-CG 3.39Å; G383-Q387 PolarHBondContact O-N 3.33Å
384L73.6Confident73.7Confident16 Ų1649.8 Ų49.88%0.08425%0.246CC..Hα-helixtrans-63.2-38.4175.3-76.4178.6000113.3R380 L381 I382 K386 Q387 L388 L429 L432 K433 L436R380-L384 PolarHBondContact O-N 3.14Å; L381-L384 PolarHBondContact O-N 2.88Å; I382-L384 VanDerWaalsContact C-N 3.3Å; I382-L384 PolarHBondContact O-N 3Å; L384-K386 VanDerWaalsContact C-N 3.34Å; L384-K386 PolarHBondContact O-N 3.32Å; L384-Q387 PolarHBondContact O-N 2.99Å; L384-L388 WeakPolarHBondContact O-CG 3.34Å; L384-L388 PolarHBondContact O-N 3.22Å; L384-L429 HydrophobicContact CD2-CD2 3.68Å; L384-L432 HydrophobicContact CD1-CB 3.71Å; L384-L432 HydrophobicContact CD2-CB 4.11Å; L384-L432 HydrophobicContact CD2-CD1 4.27Å; L384-K433 HydrophobicContact CD1-CB 4.25Å; L384-L436 HydrophobicContact CD1-CD1 3.43Å; L384-L436 VanDerWaalsContact CD1-CD1 3.43Å; L384-L436 HydrophobicContact CD1-CG 4.33Å; L384-L436 HydrophobicContact CG-CD1 4.33Å
385R74.6Confident73.9Confident57 Ų5753.5 Ų53.522%0.21526%0.26CS..Hα-helixtrans-60.3-44.6175.5-74.2-179.5177.9-167-2.7111.2T350 L381 I382 G383 L388 E389T350-R385 PolarHBondContact O-NH1 3.17Å; L381-R385 PolarHBondContact O-N 3.08Å; L381-R385 VanDerWaalsContact O-N 3.14Å; I382-R385 WeakPolarHBondContact O-CB 3.29Å; I382-R385 PolarHBondContact O-N 3.42Å; I382-R385 VanDerWaalsContact O-N 3.1Å; G383-R385 PolarHBondContact O-N 3.07Å; R385-L388 WeakPolarHBondContact O-CB 3.27Å; R385-L388 PolarHBondContact O-N 3.06Å; R385-E389 PolarHBondContact O-N 2.86Å
386K72.1Confident74.2Confident91 Ų9156.4 Ų56.440%0.39627%0.274SS..Hα-helixtrans-65.3-39.2178.6-171.5171.3-174.8166.40112.8I382 G383 L384 L388 E389 T390I382-K386 PolarHBondContact O-N 3.21Å; I382-K386 VanDerWaalsContact O-N 3.16Å; G383-K386 PolarHBondContact O-N 3.21Å; L384-K386 VanDerWaalsContact C-N 3.34Å; L384-K386 PolarHBondContact O-N 3.32Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-E389 PolarHBondContact O-N 3.49Å; K386-T390 PolarHBondContact O-N 3.39Å; K386-T390 PolarHBondContact O-OG1 3.48Å
387Q75.9Confident74.4Confident101 Ų10158.9 Ų58.947%0.47228%0.281SS..Hα-helixtrans-63.1-41.5173.5-70.9179.2-3.700111.4G383 L384 T390 I391 L429G383-Q387 WeakPolarHBondContact O-CG 3.39Å; G383-Q387 PolarHBondContact O-N 3.33Å; L384-Q387 PolarHBondContact O-N 2.99Å; Q387-T390 PolarHBondContact O-N 3.4Å; Q387-I391 WeakPolarHBondContact O-CG1 3.25Å; Q387-I391 PolarHBondContact O-N 3.19Å; Q387-L429 HydrophobicContact CB-CD1 3.62Å; Q387-L429 VanDerWaalsContact OE1-CD2 3.26Å
388L74.3Confident74.5Confident20 Ų2059.5 Ų59.511%0.10529%0.285CS..Hα-helixtrans-61.7-43.6174.6-78.4165.9000112.4L384 R385 K386 I391 L392 K426 L429 I430 K433L384-L388 WeakPolarHBondContact O-CG 3.34Å; L384-L388 PolarHBondContact O-N 3.22Å; R385-L388 WeakPolarHBondContact O-CB 3.27Å; R385-L388 PolarHBondContact O-N 3.06Å; K386-L388 VanDerWaalsContact C-N 3.33Å; L388-I391 PolarHBondContact O-N 3.24Å; L388-L392 WeakPolarHBondContact O-CG 3.49Å; L388-L392 PolarHBondContact O-N 3.37Å; L388-K426 HydrophobicContact CD2-CG 3.89Å; L388-L429 HydrophobicContact CD2-CB 3.78Å; L388-L429 HydrophobicContact CD2-CD1 4.29Å; L388-L429 HydrophobicContact CG-CB 3.99Å; L388-L429 HydrophobicContact CG-CD1 4.25Å; L388-I430 HydrophobicContact CD1-CG1 4.43Å; L388-I430 HydrophobicContact CD2-CG1 3.96Å; L388-K433 HydrophobicContact CD1-CD 4.08Å
389E74.9Confident74.8Confident108 Ų10863 Ų6351%0.50530%0.303SS..Hα-helixtrans-59.9-45.6174.8-74.6164.8-172.900111.4R385 K386 I391 L392 E393R385-E389 PolarHBondContact O-N 2.86Å; K386-E389 PolarHBondContact O-N 3.49Å; E389-I391 VanDerWaalsContact C-N 3.33Å; E389-I391 PolarHBondContact O-N 3.38Å; E389-L392 WeakPolarHBondContact O-CB 3.4Å; E389-L392 PolarHBondContact O-N 3.4Å; E389-L392 VanDerWaalsContact O-N 3.11Å; E389-E393 PolarHBondContact O-N 3.4Å
390T76.8Confident75.2Confident58 Ų5864.2 Ų64.236%0.35632%0.316SS..Hα-helixtrans-60.2-41.8177.7-54.70000111.8K386 Q387 L392 E393 Q394K386-T390 PolarHBondContact O-N 3.39Å; K386-T390 PolarHBondContact O-OG1 3.48Å; Q387-T390 PolarHBondContact O-N 3.4Å; T390-L392 VanDerWaalsContact C-N 3.33Å; T390-L392 PolarHBondContact O-N 3.04Å; T390-E393 PolarHBondContact O-N 2.68Å; T390-Q394 WeakPolarHBondContact O-CB 3.44Å; T390-Q394 WeakPolarHBondContact O-CG 3.3Å; T390-Q394 PolarHBondContact O-N 3.11Å
391I76Confident75.2Confident13 Ų1361 Ų617%0.06731%0.308CS..Hα-helixtrans-64.3-39.4176.3-72.5179.4000111.3Q387 L388 E389 Q394 R395 L422 E425 K426 L429Q387-I391 WeakPolarHBondContact O-CG1 3.25Å; Q387-I391 PolarHBondContact O-N 3.19Å; L388-I391 PolarHBondContact O-N 3.24Å; E389-I391 VanDerWaalsContact C-N 3.33Å; E389-I391 PolarHBondContact O-N 3.38Å; I391-Q394 PolarHBondContact O-N 3.22Å; I391-R395 WeakPolarHBondContact O-CB 3.31Å; I391-R395 PolarHBondContact O-N 2.96Å; I391-L422 HydrophobicContact CG2-CB 4.25Å; I391-L422 HydrophobicContact CG2-CD2 4.2Å; I391-L422 WeakPolarHBondContact CG2-O 3.45Å; I391-E425 HydrophobicContact CD1-CB 3.69Å; I391-K426 HydrophobicContact CG2-CB 4.09Å; I391-L429 HydrophobicContact CD1-CD1 3.47Å; I391-L429 VanDerWaalsContact CD1-CD1 3.47Å; I391-L429 HydrophobicContact CD1-CG 4.4Å
392L74.7Confident75Confident61 Ų6164.8 Ų64.832%0.31932%0.324SS..Hα-helixtrans-64.7-44.3176.9-68.6172.3000111.3L388 E389 T390 R395 D396 K426L388-L392 WeakPolarHBondContact O-CG 3.49Å; L388-L392 PolarHBondContact O-N 3.37Å; E389-L392 WeakPolarHBondContact O-CB 3.4Å; E389-L392 PolarHBondContact O-N 3.4Å; E389-L392 VanDerWaalsContact O-N 3.11Å; T390-L392 VanDerWaalsContact C-N 3.33Å; T390-L392 PolarHBondContact O-N 3.04Å; L392-R395 WeakPolarHBondContact O-CB 3.5Å; L392-R395 PolarHBondContact O-N 3.27Å; L392-D396 PolarHBondContact O-N 3.29Å; L392-K426 HydrophobicContact CD2-CD 4.37Å
393E78.2Confident74.7Confident128 Ų12869.2 Ų69.260%0.59836%0.356SS*.Hα-helixtrans-60.7-46.8174.9-72.5-179.9174.100111.8E389 T390 R395 D396 I397E389-E393 PolarHBondContact O-N 3.4Å; T390-E393 PolarHBondContact O-N 2.68Å; E393-R395 VanDerWaalsContact C-N 3.27Å; E393-R395 PolarHBondContact O-N 2.93Å; E393-D396 PolarHBondContact O-N 3.08Å; E393-I397 WeakPolarHBondContact O-CG1 3.49Å; E393-I397 PolarHBondContact O-N 3.04Å
394Q79.8Confident74.2Confident70 Ų7074.6 Ų74.633%0.32738%0.377SS..Hα-helixtrans-59.6-38.8176.7-74.9-176.911.200112T390 I391 T398 R418 L422T390-Q394 WeakPolarHBondContact O-CB 3.44Å; T390-Q394 WeakPolarHBondContact O-CG 3.3Å; T390-Q394 PolarHBondContact O-N 3.11Å; I391-Q394 PolarHBondContact O-N 3.22Å; Q394-T398 WeakPolarHBondContact O-CB 3.46Å; Q394-T398 PolarHBondContact O-N 3.36Å; Q394-T398 PolarHBondContact O-OG1 3.45Å; Q394-R418 VanDerWaalsContact OE1-NH2 3.15Å; Q394-L422 HydrophobicContact CB-CD1 4.17Å; Q394-L422 HydrophobicContact CB-CD2 4.11Å
395R80.4Confident73.4Confident87 Ų8779 Ų7933%0.32840%0.397SS..Hα-helixtrans-64.9-45176.7-172.6-162.168.3167.51.1111.2I391 L392 E393 T398 L399 L422I391-R395 WeakPolarHBondContact O-CB 3.31Å; I391-R395 PolarHBondContact O-N 2.96Å; L392-R395 WeakPolarHBondContact O-CB 3.5Å; L392-R395 PolarHBondContact O-N 3.27Å; E393-R395 VanDerWaalsContact C-N 3.27Å; E393-R395 PolarHBondContact O-N 2.93Å; R395-T398 PolarHBondContact O-N 2.84Å; R395-L399 HydrophobicContact CG-CD1 4.25Å; R395-L399 WeakPolarHBondContact O-CG 3.49Å; R395-L399 PolarHBondContact O-N 2.83Å; R395-L422 HydrophobicContact CB-CD1 4.08Å
396D75.3Confident72.1Confident83 Ų8381.7 Ų81.744%0.44442%0.424SS..Hα-helixtrans-67.9-38.6-178.6-67.5-6.7000111.2L392 E393 L399 S400L392-D396 PolarHBondContact O-N 3.29Å; E393-D396 PolarHBondContact O-N 3.08Å; D396-L399 PolarHBondContact O-N 3.05Å; D396-S400 PolarHBondContact O-N 3.18Å
397I76.9Confident71.2Confident95 Ų9581.4 Ų81.449%0.48744%0.439SS..Hα-helixtrans-59.5-48.9170.1-68.1166.1000110.3E393 L399 S400 H401E393-I397 WeakPolarHBondContact O-CG1 3.49Å; E393-I397 PolarHBondContact O-N 3.04Å; I397-L399 VanDerWaalsContact C-N 3.31Å; I397-L399 PolarHBondContact O-N 3.42Å; I397-S400 WeakPolarHBondContact O-CB 3.39Å; I397-S400 PolarHBondContact O-N 2.88Å; I397-S400 VanDerWaalsContact O-N 3.08Å; I397-S400 PolarHBondContact O-OG 3.48Å; I397-H401 PolarHBondContact O-CD2 3.17Å; I397-H401 PolarHBondContact O-N 3.27Å
398T79.1Confident70.5Confident24 Ų2482.2 Ų82.215%0.14745%0.447CS..Hα-helixtrans-59.8-40.7-179.9-56.90000111.8Q394 R395 H401 I415 R418 I419Q394-T398 WeakPolarHBondContact O-CB 3.46Å; Q394-T398 PolarHBondContact O-N 3.36Å; Q394-T398 PolarHBondContact O-OG1 3.45Å; R395-T398 PolarHBondContact O-N 2.84Å; T398-H401 PolarHBondContact O-N 3.09Å; T398-I415 HydrophobicContact CG2-CG2 4.1Å; T398-R418 HydrophobicContact CG2-CB 4.33Å; T398-R418 HydrophobicContact CG2-CG 4.28Å; T398-I419 HydrophobicContact CG2-CD1 4.4Å; T398-I419 HydrophobicContact CG2-CG1 3.88Å
399L76.9Confident69.8Low73 Ų7386.5 Ų86.538%0.38247%0.474SS..Hα-helixtrans-67.3-34.3174.9-75.8167.7000112.9R395 D396 I397 H401 F402 S403 I419R395-L399 HydrophobicContact CG-CD1 4.25Å; R395-L399 WeakPolarHBondContact O-CG 3.49Å; R395-L399 PolarHBondContact O-N 2.83Å; D396-L399 PolarHBondContact O-N 3.05Å; I397-L399 VanDerWaalsContact C-N 3.31Å; I397-L399 PolarHBondContact O-N 3.42Å; L399-H401 VanDerWaalsContact C-N 3.28Å; L399-H401 PolarHBondContact O-N 3.47Å; L399-F402 VanDerWaalsContact O-CB 3.24Å; L399-F402 WeakPolarHBondContact O-CB 3.46Å; L399-F402 PolarHBondContact O-N 3.37Å; L399-F402 VanDerWaalsContact O-N 3.16Å; L399-S403 PolarHBondContact O-N 2.96Å; L399-I419 HydrophobicContact CD2-CD1 3.57Å; L399-I419 HydrophobicContact CG-CD1 4.07Å
400S74.8Confident69.2Low56 Ų5687.4 Ų87.439%0.39248%0.481SS..Hα-helixtrans-65.1-33.4176.977.80000112.4D396 I397 F402 S403 L404D396-S400 PolarHBondContact O-N 3.18Å; I397-S400 WeakPolarHBondContact O-CB 3.39Å; I397-S400 PolarHBondContact O-N 2.88Å; I397-S400 VanDerWaalsContact O-N 3.08Å; I397-S400 PolarHBondContact O-OG 3.48Å; S400-F402 VanDerWaalsContact C-N 3.28Å; S400-F402 PolarHBondContact O-N 2.96Å; S400-S403 PolarHBondContact O-N 2.95Å; S400-S403 VanDerWaalsContact O-N 3.15Å; S400-L404 PolarHBondContact O-N 3.27Å
401H72.7Confident68.7Low98 Ų9886 Ų8645%0.45447%0.473SS..Hα-helixtrans-64.8-32.2174-75.3-73000112.5I397 T398 L399 S403 L404 Q405I397-H401 PolarHBondContact O-CD2 3.17Å; I397-H401 PolarHBondContact O-N 3.27Å; T398-H401 PolarHBondContact O-N 3.09Å; L399-H401 VanDerWaalsContact C-N 3.28Å; L399-H401 PolarHBondContact O-N 3.47Å; H401-S403 VanDerWaalsContact C-N 3.27Å; H401-S403 PolarHBondContact O-N 3.37Å; H401-L404 PolarHBondContact O-N 2.97Å; H401-Q405 PolarHBondContact O-N 3.35Å
402F69.8Low68.3Low78 Ų7889 Ų8934%0.34249%0.487SS..Hα-helixtrans-62.7-35.1173.6-168.7-97.4000112L399 S400 L404 E412 I415 Y416L399-F402 VanDerWaalsContact O-CB 3.24Å; L399-F402 WeakPolarHBondContact O-CB 3.46Å; L399-F402 PolarHBondContact O-N 3.37Å; L399-F402 VanDerWaalsContact O-N 3.16Å; S400-F402 VanDerWaalsContact C-N 3.28Å; S400-F402 PolarHBondContact O-N 2.96Å; F402-L404 VanDerWaalsContact C-N 3.33Å; F402-L404 PolarHBondContact O-N 3.08Å; F402-E412 HydrophobicContact CE2-CB 4.41Å; F402-E412 HydrophobicContact CE2-CG 3.9Å; F402-I415 HydrophobicContact CB-CD1 4.28Å; F402-I415 HydrophobicContact CB-CG2 4.33Å; F402-I415 HydrophobicContact CD2-CD1 4.15Å; F402-I415 HydrophobicContact CD2-CG2 4.08Å; F402-Y416 HydrophobicContact CE2-CE2 4.17Å
403S62.1Low68.2Low105 Ų10592.9 Ų92.973%0.73450%0.503SS*.Hα-helixtrans-78.4-15-178.3-60.40000113.8L399 S400 H401L399-S403 PolarHBondContact O-N 2.96Å; S400-S403 PolarHBondContact O-N 2.95Å; S400-S403 VanDerWaalsContact O-N 3.15Å; H401-S403 VanDerWaalsContact C-N 3.27Å; H401-S403 PolarHBondContact O-N 3.37Å
404L59.9Low68.3Low144 Ų14491.7 Ų91.775%0.75450%0.501SS*.Hα-helixtrans-105.2-15.2-174.6-71.2171.4000114S400 H401 F402S400-L404 PolarHBondContact O-N 3.27Å; H401-L404 PolarHBondContact O-N 2.97Å; F402-L404 VanDerWaalsContact C-N 3.33Å; F402-L404 PolarHBondContact O-N 3.08Å
405Q56Low68.3Low108 Ų10889.2 Ų89.251%0.50549%0.49SS..  trans-99.7120.2-179.1-71.7-171.5-14.200111.4H401 A407 S411H401-Q405 PolarHBondContact O-N 3.35Å; Q405-A407 PolarHBondContact O-N 3.45Å; Q405-S411 PolarHBondContact OE1-OG 2.7Å
406S48.1Very low68.3Low114 Ų11491.4 Ų91.480%0.79750%0.499SS*.  trans-79.1107165.951.30000110.3
407A51.9Low68.7Low85 Ų8590.3 Ų90.370%0.70250%0.498SS*.  trans55.664146.400000119.5Q405Q405-A407 PolarHBondContact O-N 3.45Å
408D61Low69.2Low119 Ų11989.2 Ų89.264%0.63649%0.488SS*.  trans-121.6119152.3-91.8-30.1000109.3I410 S411 E412D408-I410 PolarHBondContact O-N 3.39Å; D408-S411 PolarHBondContact O-N 2.97Å; D408-S411 PolarHBondContact O-OG 2.73Å; D408-E412 PolarHBondContact O-N 3.21Å
409T61.4Low69.4Low110 Ų11089.6 Ų89.668%0.67549%0.489SS*.Hα-helixtrans-58-32.2-175.638.50000113.7S411 E412 E413T409-S411 VanDerWaalsContact C-N 3.31Å; T409-S411 PolarHBondContact O-N 3.31Å; T409-E412 PolarHBondContact O-N 3.38Å; T409-E413 PolarHBondContact O-N 2.94Å
410I60.7Low69.7Low126 Ų12693.6 Ų93.665%0.64650%0.499SS*.Hα-helixtrans-68.2-30.5176.9-62.6171.6000111.3D408 N414D408-I410 PolarHBondContact O-N 3.39Å; I410-N414 PolarHBondContact O-N 3.01Å; I410-N414 PolarHBondContact O-ND2 3.15Å
411S66.1Low70.3Confident29 Ų2994.7 Ų94.720%0.20350%0.498CS..Hα-helixtrans-75.1-37.9177.8104.40000111.2Q405 D408 T409 N414 I415Q405-S411 PolarHBondContact OE1-OG 2.7Å; D408-S411 PolarHBondContact O-N 2.97Å; D408-S411 PolarHBondContact O-OG 2.73Å; T409-S411 VanDerWaalsContact C-N 3.31Å; T409-S411 PolarHBondContact O-N 3.31Å; S411-N414 PolarHBondContact O-N 3.44Å; S411-I415 VanDerWaalsContact O-CG1 3.31Å; S411-I415 WeakPolarHBondContact O-CG1 3.25Å; S411-I415 PolarHBondContact O-N 3.01Å; S411-I415 VanDerWaalsContact O-N 3.08Å
412E67.8Low70.7Confident75 Ų7590.1 Ų90.135%0.3548%0.477SS..Hα-helixtrans-63.1-47.5176.3-68.5-172.3174.500112.1F402 D408 T409 N414 I415 Y416F402-E412 HydrophobicContact CE2-CB 4.41Å; F402-E412 HydrophobicContact CE2-CG 3.9Å; D408-E412 PolarHBondContact O-N 3.21Å; T409-E412 PolarHBondContact O-N 3.38Å; E412-N414 VanDerWaalsContact C-N 3.29Å; E412-N414 PolarHBondContact O-N 2.91Å; E412-I415 WeakPolarHBondContact O-CB 3.48Å; E412-I415 PolarHBondContact O-N 3.14Å; E412-I415 VanDerWaalsContact O-N 3.13Å; E412-Y416 HydrophobicContact CB-CD2 4.45Å; E412-Y416 HydrophobicContact CB-CE2 4.33Å; E412-Y416 WeakPolarHBondContact O-CD2 3.46Å; E412-Y416 PolarHBondContact O-N 2.9Å
413E74.3Confident71.2Confident143 Ų14388.5 Ų88.567%0.66848%0.475SS*.Hα-helixtrans-58.4-40.7177.9-80.3-175.5172.300112.5T409 Y416 S417T409-E413 PolarHBondContact O-N 2.94Å; E413-Y416 PolarHBondContact O-N 2.8Å; E413-S417 WeakPolarHBondContact O-CB 3.38Å; E413-S417 PolarHBondContact O-N 3.48Å
414N79.5Confident72.4Confident104 Ų10486.5 Ų86.556%0.55645%0.454SS*.Hα-helixtrans-65.2-39.7176.8-75.7-37.9000112.2I410 S411 E412 S417 R418I410-N414 PolarHBondContact O-N 3.01Å; I410-N414 PolarHBondContact O-ND2 3.15Å; S411-N414 PolarHBondContact O-N 3.44Å; E412-N414 VanDerWaalsContact C-N 3.29Å; E412-N414 PolarHBondContact O-N 2.91Å; N414-S417 PolarHBondContact O-N 3.44Å; N414-R418 PolarHBondContact O-N 2.91Å
415I79.3Confident73.5Confident17 Ų1782.3 Ų82.39%0.08743%0.431CS..Hα-helixtrans-63.5-47.9175.4-70.6168.2000110.3T398 F402 S411 E412 S417 R418 I419T398-I415 HydrophobicContact CG2-CG2 4.1Å; F402-I415 HydrophobicContact CB-CD1 4.28Å; F402-I415 HydrophobicContact CB-CG2 4.33Å; F402-I415 HydrophobicContact CD2-CD1 4.15Å; F402-I415 HydrophobicContact CD2-CG2 4.08Å; S411-I415 VanDerWaalsContact O-CG1 3.31Å; S411-I415 WeakPolarHBondContact O-CG1 3.25Å; S411-I415 PolarHBondContact O-N 3.01Å; S411-I415 VanDerWaalsContact O-N 3.08Å; E412-I415 WeakPolarHBondContact O-CB 3.48Å; E412-I415 PolarHBondContact O-N 3.14Å; E412-I415 VanDerWaalsContact O-N 3.13Å; I415-S417 PolarHBondContact O-N 3.35Å; I415-R418 PolarHBondContact O-N 2.95Å; I415-I419 HydrophobicContact CG2-CD1 3.76Å; I415-I419 HydrophobicContact CG2-CG1 4.49Å; I415-I419 WeakPolarHBondContact O-CG1 3.45Å; I415-I419 PolarHBondContact O-N 3.04Å
416Y80.2Confident74.7Confident134 Ų13480.5 Ų80.553%0.52542%0.421SS..Hα-helixtrans-60.7-44.3177.6-78.3-66.3000112.2F402 E412 E413 R418 I419 W420F402-Y416 HydrophobicContact CE2-CE2 4.17Å; E412-Y416 HydrophobicContact CB-CD2 4.45Å; E412-Y416 HydrophobicContact CB-CE2 4.33Å; E412-Y416 WeakPolarHBondContact O-CD2 3.46Å; E412-Y416 PolarHBondContact O-N 2.9Å; E413-Y416 PolarHBondContact O-N 2.8Å; Y416-R418 VanDerWaalsContact C-N 3.34Å; Y416-R418 PolarHBondContact O-N 3.26Å; Y416-I419 PolarHBondContact O-N 2.99Å; Y416-W420 WeakPolarHBondContact O-CB 3.29Å; Y416-W420 PolarHBondContact O-N 3.4Å
417S83.9Confident76.4Confident60 Ų6081.4 Ų81.442%0.4241%0.407SS..Hα-helixtrans-60.4-43.2177.3-172.70000111.7E413 N414 I415 W420 Q421E413-S417 WeakPolarHBondContact O-CB 3.38Å; E413-S417 PolarHBondContact O-N 3.48Å; N414-S417 PolarHBondContact O-N 3.44Å; I415-S417 PolarHBondContact O-N 3.35Å; S417-W420 PolarHBondContact O-N 2.81Å; S417-Q421 WeakPolarHBondContact O-CG 3.36Å; S417-Q421 PolarHBondContact O-N 3.1Å
418R87Confident77.8Confident72 Ų7280.8 Ų80.827%0.27240%0.398SS..Hα-helixtrans-67.1-41.3176.8-174.359.2-177.7151.66.1112.5Q394 T398 N414 I415 Y416 W420 Q421 L422 E425Q394-R418 VanDerWaalsContact OE1-NH2 3.15Å; T398-R418 HydrophobicContact CG2-CB 4.33Å; T398-R418 HydrophobicContact CG2-CG 4.28Å; N414-R418 PolarHBondContact O-N 2.91Å; I415-R418 PolarHBondContact O-N 2.95Å; Y416-R418 VanDerWaalsContact C-N 3.34Å; Y416-R418 PolarHBondContact O-N 3.26Å; R418-W420 VanDerWaalsContact C-N 3.28Å; R418-W420 PolarHBondContact O-N 3.23Å; R418-Q421 PolarHBondContact O-N 3.1Å; R418-L422 HydrophobicContact CG-CD1 4.28Å; R418-L422 WeakPolarHBondContact O-CG 3.47Å; R418-L422 PolarHBondContact O-N 3.41Å; R418-E425 IonicContact NH1-OE1 2.83Å; R418-E425 PolarHBondContact NH1-OE1 2.85Å
419I83.4Confident78.6Confident32 Ų3276.1 Ų76.116%0.16437%0.373CS..Hα-helixtrans-61.6-39.7175.4-70.2168.5000110.8T398 L399 I415 Y416 S423T398-I419 HydrophobicContact CG2-CD1 4.4Å; T398-I419 HydrophobicContact CG2-CG1 3.88Å; L399-I419 HydrophobicContact CD2-CD1 3.57Å; L399-I419 HydrophobicContact CG-CD1 4.07Å; I415-I419 HydrophobicContact CG2-CD1 3.76Å; I415-I419 HydrophobicContact CG2-CG1 4.49Å; I415-I419 WeakPolarHBondContact O-CG1 3.45Å; I415-I419 PolarHBondContact O-N 3.04Å; Y416-I419 PolarHBondContact O-N 2.99Å; I419-S423 WeakPolarHBondContact O-CB 3.31Å; I419-S423 PolarHBondContact O-N 3.41Å; I419-S423 PolarHBondContact O-OG 2.93Å
420W84Confident79.4Confident157 Ų15773.9 Ų73.960%0.59536%0.356SS*.Hα-helixtrans-64.6-46.1176.7-173.888.1000111.6Y416 S417 R418 L422 S423 E424Y416-W420 WeakPolarHBondContact O-CB 3.29Å; Y416-W420 PolarHBondContact O-N 3.4Å; S417-W420 PolarHBondContact O-N 2.81Å; R418-W420 VanDerWaalsContact C-N 3.28Å; R418-W420 PolarHBondContact O-N 3.23Å; W420-L422 PolarHBondContact O-N 2.94Å; W420-S423 WeakPolarHBondContact O-CA 3.27Å; W420-S423 WeakPolarHBondContact O-CB 3.47Å; W420-S423 PolarHBondContact O-N 3.36Å; W420-E424 HydrophobicContact CD2-CG 4.27Å; W420-E424 HydrophobicContact CE3-CG 4.2Å; W420-E424 HydrophobicContact CH2-CG 3.71Å; W420-E424 HydrophobicContact CZ2-CG 3.78Å; W420-E424 WeakPolarHBondContact CZ2-OE1 3.34Å; W420-E424 HydrophobicContact CZ3-CG 3.92Å; W420-E424 PolarHBondContact O-N 2.99Å
421Q86.9Confident80.5Confident79 Ų7970.5 Ų70.537%0.36935%0.346SS..Hα-helixtrans-57-49.8174.5-73174-4.700112.1S417 R418 S423 E424 E425S417-Q421 WeakPolarHBondContact O-CG 3.36Å; S417-Q421 PolarHBondContact O-N 3.1Å; R418-Q421 PolarHBondContact O-N 3.1Å; Q421-S423 PolarHBondContact O-N 2.9Å; Q421-E424 PolarHBondContact O-N 3.47Å; Q421-E424 VanDerWaalsContact O-N 3.09Å; Q421-E425 WeakPolarHBondContact O-CG 3.43Å; Q421-E425 PolarHBondContact O-N 2.95Å
422L80.7Confident81.3Confident2 Ų273.6 Ų73.61%0.0136%0.36CS..Hα-helixtrans-59-31.7176.7-70.6172000112I391 Q394 R395 R418 W420 K426I391-L422 HydrophobicContact CG2-CB 4.25Å; I391-L422 HydrophobicContact CG2-CD2 4.2Å; I391-L422 WeakPolarHBondContact CG2-O 3.45Å; Q394-L422 HydrophobicContact CB-CD1 4.17Å; Q394-L422 HydrophobicContact CB-CD2 4.11Å; R395-L422 HydrophobicContact CB-CD1 4.08Å; R418-L422 HydrophobicContact CG-CD1 4.28Å; R418-L422 WeakPolarHBondContact O-CG 3.47Å; R418-L422 PolarHBondContact O-N 3.41Å; W420-L422 PolarHBondContact O-N 2.94Å; L422-K426 VanDerWaalsContact O-CB 3.25Å; L422-K426 WeakPolarHBondContact O-CB 3.5Å; L422-K426 PolarHBondContact O-N 3.3Å
423S80.6Confident81.9Confident44 Ų4473 Ų7331%0.30836%0.357SS..Hα-helixtrans-75.1-31.4177.8-59.20000113.2I419 W420 Q421 R427I419-S423 WeakPolarHBondContact O-CB 3.31Å; I419-S423 PolarHBondContact O-N 3.41Å; I419-S423 PolarHBondContact O-OG 2.93Å; W420-S423 WeakPolarHBondContact O-CA 3.27Å; W420-S423 WeakPolarHBondContact O-CB 3.47Å; W420-S423 PolarHBondContact O-N 3.36Å; Q421-S423 PolarHBondContact O-N 2.9Å; S423-R427 PolarHBondContact O-N 3.45Å; S423-R427 PolarHBondContact O-NE 3.3Å
424E86.9Confident82.3Confident63 Ų6371.9 Ų71.929%0.29435%0.351SS..Hα-helixtrans-72.3-48.5170.4-70.6-63.7162.800111W420 Q421 K426 R427 S428W420-E424 HydrophobicContact CD2-CG 4.27Å; W420-E424 HydrophobicContact CE3-CG 4.2Å; W420-E424 HydrophobicContact CH2-CG 3.71Å; W420-E424 HydrophobicContact CZ2-CG 3.78Å; W420-E424 WeakPolarHBondContact CZ2-OE1 3.34Å; W420-E424 HydrophobicContact CZ3-CG 3.92Å; W420-E424 PolarHBondContact O-N 2.99Å; Q421-E424 PolarHBondContact O-N 3.47Å; Q421-E424 VanDerWaalsContact O-N 3.09Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 PolarHBondContact O-N 3.23Å; E424-R427 VanDerWaalsContact CD-CZ 3.43Å; E424-R427 WeakPolarHBondContact O-CB 3.3Å; E424-R427 PolarHBondContact O-N 3.24Å; E424-R427 IonicContact OE1-CZ 2.68Å; E424-R427 IonicContact OE1-NH1 3.81Å; E424-R427 PolarHBondContact OE1-NH1 3.2Å; E424-R427 IonicContact OE1-NH2 2.7Å; E424-R427 PolarHBondContact OE1-NH2 3.36Å; E424-R427 IonicContact OE2-CZ 3.15Å; E424-R427 IonicContact OE2-NE 3.04Å; E424-R427 IonicContact OE2-NH1 3.39Å; E424-R427 IonicContact OE2-NH2 2.58Å; E424-R427 PolarHBondContact OE2-NH2 3.13Å; E424-S428 PolarHBondContact O-N 3.48Å; E424-S428 PolarHBondContact O-OG 3.02Å
425E84.6Confident82.6Confident55 Ų5569.3 Ų69.326%0.25734%0.341SS..Hα-helixtrans-54.5-46176.1-69.5173.7-150.800110.8I391 R418 Q421 R427 S428 L429I391-E425 HydrophobicContact CD1-CB 3.69Å; R418-E425 IonicContact NH1-OE1 2.83Å; R418-E425 PolarHBondContact NH1-OE1 2.85Å; Q421-E425 WeakPolarHBondContact O-CG 3.43Å; Q421-E425 PolarHBondContact O-N 2.95Å; E425-R427 VanDerWaalsContact C-N 3.34Å; E425-R427 PolarHBondContact O-N 2.89Å; E425-S428 PolarHBondContact O-N 3.47Å; E425-L429 WeakPolarHBondContact O-CG 3.23Å; E425-L429 PolarHBondContact O-N 2.73Å
426K81.3Confident82.7Confident71 Ų7169.1 Ų69.131%0.30934%0.34SS..Hα-helixtrans-56.9-43.5174.6-177.3179.1174.5-177.70112.6L388 I391 L392 L422 E424 L429 I430L388-K426 HydrophobicContact CD2-CG 3.89Å; I391-K426 HydrophobicContact CG2-CB 4.09Å; L392-K426 HydrophobicContact CD2-CD 4.37Å; L422-K426 VanDerWaalsContact O-CB 3.25Å; L422-K426 WeakPolarHBondContact O-CB 3.5Å; L422-K426 PolarHBondContact O-N 3.3Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 PolarHBondContact O-N 3.23Å; K426-L429 PolarHBondContact O-N 2.87Å; K426-I430 HydrophobicContact CG-CD1 3.92Å; K426-I430 HydrophobicContact CG-CG1 4.5Å; K426-I430 VanDerWaalsContact O-CG1 3.29Å; K426-I430 WeakPolarHBondContact O-CG1 3.48Å; K426-I430 PolarHBondContact O-N 3.28Å
427R82.4Confident82.7Confident133 Ų13365.1 Ų65.150%0.50233%0.328SS..Hα-helixtrans-64-44179.7-89.9-177.9-78.5177.4-8.5111.6S423 E424 E425 L429 I430 A431S423-R427 PolarHBondContact O-N 3.45Å; S423-R427 PolarHBondContact O-NE 3.3Å; E424-R427 VanDerWaalsContact CD-CZ 3.43Å; E424-R427 WeakPolarHBondContact O-CB 3.3Å; E424-R427 PolarHBondContact O-N 3.24Å; E424-R427 IonicContact OE1-CZ 2.68Å; E424-R427 IonicContact OE1-NH1 3.81Å; E424-R427 PolarHBondContact OE1-NH1 3.2Å; E424-R427 IonicContact OE1-NH2 2.7Å; E424-R427 PolarHBondContact OE1-NH2 3.36Å; E424-R427 IonicContact OE2-CZ 3.15Å; E424-R427 IonicContact OE2-NE 3.04Å; E424-R427 IonicContact OE2-NH1 3.39Å; E424-R427 IonicContact OE2-NH2 2.58Å; E424-R427 PolarHBondContact OE2-NH2 3.13Å; E425-R427 VanDerWaalsContact C-N 3.34Å; E425-R427 PolarHBondContact O-N 2.89Å; R427-L429 PolarHBondContact O-N 3.37Å; R427-I430 PolarHBondContact O-N 2.95Å; R427-A431 PolarHBondContact O-N 3.43Å; R427-A431 VanDerWaalsContact O-N 3.07Å
428S83Confident82.6Confident72 Ų7268.3 Ų68.350%0.50334%0.336SS..Hα-helixtrans-61-43.3176.3-600000112.1E424 E425 A431 L432E424-S428 PolarHBondContact O-N 3.48Å; E424-S428 PolarHBondContact O-OG 3.02Å; E425-S428 PolarHBondContact O-N 3.47Å; S428-A431 PolarHBondContact O-N 3.3Å; S428-L432 WeakPolarHBondContact O-CG 3.27Å; S428-L432 PolarHBondContact O-N 3.03Å; S428-L432 VanDerWaalsContact O-N 3.08Å
429L77.4Confident82.4Confident21 Ų2168.1 Ų68.111%0.1134%0.339CS..Hα-helixtrans-67.7-35.4177.6-66.4-174.5000113.2L384 Q387 L388 I391 E425 K426 R427 L432 K433L384-L429 HydrophobicContact CD2-CD2 3.68Å; Q387-L429 HydrophobicContact CB-CD1 3.62Å; Q387-L429 VanDerWaalsContact OE1-CD2 3.26Å; L388-L429 HydrophobicContact CD2-CB 3.78Å; L388-L429 HydrophobicContact CD2-CD1 4.29Å; L388-L429 HydrophobicContact CG-CB 3.99Å; L388-L429 HydrophobicContact CG-CD1 4.25Å; I391-L429 HydrophobicContact CD1-CD1 3.47Å; I391-L429 VanDerWaalsContact CD1-CD1 3.47Å; I391-L429 HydrophobicContact CD1-CG 4.4Å; E425-L429 WeakPolarHBondContact O-CG 3.23Å; E425-L429 PolarHBondContact O-N 2.73Å; K426-L429 PolarHBondContact O-N 2.87Å; R427-L429 PolarHBondContact O-N 3.37Å; L429-L432 HydrophobicContact CD2-CD1 4.31Å; L429-L432 PolarHBondContact O-N 3.1Å; L429-K433 WeakPolarHBondContact O-CB 3.48Å; L429-K433 PolarHBondContact O-N 3.47Å
430I77.9Confident82.1Confident62 Ų6266.7 Ų66.732%0.31833%0.331SS..Hα-helixtrans-63.3-44.5174.1-71.8169.3000110.5L388 K426 R427 L432 K433 E434L388-I430 HydrophobicContact CD1-CG1 4.43Å; L388-I430 HydrophobicContact CD2-CG1 3.96Å; K426-I430 HydrophobicContact CG-CD1 3.92Å; K426-I430 HydrophobicContact CG-CG1 4.5Å; K426-I430 VanDerWaalsContact O-CG1 3.29Å; K426-I430 WeakPolarHBondContact O-CG1 3.48Å; K426-I430 PolarHBondContact O-N 3.28Å; R427-I430 PolarHBondContact O-N 2.95Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 3.16Å; I430-K433 WeakPolarHBondContact O-CB 3.49Å; I430-K433 PolarHBondContact O-N 3.02Å; I430-K433 VanDerWaalsContact O-N 3.15Å; I430-E434 WeakPolarHBondContact O-CG 3.39Å; I430-E434 PolarHBondContact O-N 2.91Å
431A82.8Confident81.8Confident55 Ų5562 Ų6246%0.45533%0.326SS..Hα-helixtrans-61.7-41.2177.300000112.2R427 S428 E434 S435R427-A431 PolarHBondContact O-N 3.43Å; R427-A431 VanDerWaalsContact O-N 3.07Å; S428-A431 PolarHBondContact O-N 3.3Å; A431-E434 PolarHBondContact O-N 3.24Å; A431-S435 PolarHBondContact O-N 3.31Å
432L83.6Confident81.3Confident94 Ų9464.6 Ų64.649%0.49234%0.338SS..Hα-helixtrans-63.2-40.7173.6-73.3169.4000112.1L384 S428 L429 I430 S435 L436L384-L432 HydrophobicContact CD1-CB 3.71Å; L384-L432 HydrophobicContact CD2-CB 4.11Å; L384-L432 HydrophobicContact CD2-CD1 4.27Å; S428-L432 WeakPolarHBondContact O-CG 3.27Å; S428-L432 PolarHBondContact O-N 3.03Å; S428-L432 VanDerWaalsContact O-N 3.08Å; L429-L432 HydrophobicContact CD2-CD1 4.31Å; L429-L432 PolarHBondContact O-N 3.1Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 3.16Å; L432-S435 PolarHBondContact O-N 3.08Å; L432-L436 PolarHBondContact O-N 3.49Å
433K80Confident80.9Confident64 Ų6467.7 Ų67.728%0.27835%0.351SS..Hα-helixtrans-61.4-44.5176.8-178.9-171.3173.2-174.20110.9L381 L384 L388 L429 I430 L436 L437L381-K433 HydrophobicContact CD1-CG 3.67Å; L384-K433 HydrophobicContact CD1-CB 4.25Å; L388-K433 HydrophobicContact CD1-CD 4.08Å; L429-K433 WeakPolarHBondContact O-CB 3.48Å; L429-K433 PolarHBondContact O-N 3.47Å; I430-K433 WeakPolarHBondContact O-CB 3.49Å; I430-K433 PolarHBondContact O-N 3.02Å; I430-K433 VanDerWaalsContact O-N 3.15Å; K433-L436 PolarHBondContact O-N 3.17Å; K433-L437 HydrophobicContact CG-CD1 4.28Å; K433-L437 VanDerWaalsContact O-CG 3.3Å; K433-L437 WeakPolarHBondContact O-CG 3.36Å; K433-L437 PolarHBondContact O-N 3.46Å
434E82.7Confident80.3Confident118 Ų11869.9 Ų69.955%0.55135%0.353SS*.Hα-helixtrans-63-42.4176.5-72.4177172.700111.9I430 A431 L436 L437 Q438I430-E434 WeakPolarHBondContact O-CG 3.39Å; I430-E434 PolarHBondContact O-N 2.91Å; A431-E434 PolarHBondContact O-N 3.24Å; E434-L436 PolarHBondContact O-N 2.95Å; E434-L437 PolarHBondContact O-N 2.9Å; E434-Q438 WeakPolarHBondContact O-CG 3.38Å; E434-Q438 PolarHBondContact O-N 3.47Å
435S86.3Confident79.4Confident50 Ų5071.1 Ų71.135%0.3537%0.369SS..Hα-helixtrans-61-43.5175.2-178.50000112.5A431 L432 Q438 Q439A431-S435 PolarHBondContact O-N 3.31Å; L432-S435 PolarHBondContact O-N 3.08Å; S435-Q438 PolarHBondContact O-N 3.39Å; S435-Q439 WeakPolarHBondContact O-CG 3.25Å; S435-Q439 PolarHBondContact O-N 3.06Å; S435-Q439 PolarHBondContact OG-NE2 3.48Å
436L81.2Confident78.4Confident13 Ų1370.1 Ų70.17%0.06837%0.368CS..Hα-helixtrans-66-39.3176.5-76.2179.2000112.5L377 R380 L381 L384 L432 K433 E434 Q438 Q439 I440L377-L436 HydrophobicContact CD2-CD2 3.81Å; R380-L436 HydrophobicContact CB-CD1 3.54Å; R380-L436 HydrophobicContact CB-CD2 4.11Å; L381-L436 HydrophobicContact CB-CD1 4.24Å; L381-L436 HydrophobicContact CD1-CB 4.31Å; L384-L436 HydrophobicContact CD1-CD1 3.43Å; L384-L436 VanDerWaalsContact CD1-CD1 3.43Å; L384-L436 HydrophobicContact CD1-CG 4.33Å; L384-L436 HydrophobicContact CG-CD1 4.33Å; L432-L436 PolarHBondContact O-N 3.49Å; K433-L436 PolarHBondContact O-N 3.17Å; E434-L436 PolarHBondContact O-N 2.95Å; L436-Q438 VanDerWaalsContact C-N 3.28Å; L436-Q438 PolarHBondContact O-N 3.36Å; L436-Q439 PolarHBondContact O-N 3.46Å; L436-I440 WeakPolarHBondContact O-CG1 3.42Å; L436-I440 PolarHBondContact O-N 3.3Å
437L79.7Confident77.3Confident50 Ų5072.9 Ų72.926%0.26239%0.393SS..Hα-helixtrans-61.6-38.7175.5-73169.6000111.4L355 L381 K433 E434 I440 A441L355-L437 HydrophobicContact CD1-CD2 3.49Å; L355-L437 VanDerWaalsContact CD1-CD2 3.49Å; L355-L437 HydrophobicContact CD2-CD2 3.61Å; L355-L437 HydrophobicContact CG-CD2 4.21Å; L381-L437 HydrophobicContact CD1-CD2 4.11Å; L381-L437 HydrophobicContact CD1-CG 4.02Å; L381-L437 HydrophobicContact CD2-CD2 3.64Å; L381-L437 HydrophobicContact CD2-CG 4.42Å; K433-L437 HydrophobicContact CG-CD1 4.28Å; K433-L437 VanDerWaalsContact O-CG 3.3Å; K433-L437 WeakPolarHBondContact O-CG 3.36Å; K433-L437 PolarHBondContact O-N 3.46Å; E434-L437 PolarHBondContact O-N 2.9Å; L437-I440 PolarHBondContact O-N 3.34Å; L437-A441 WeakPolarHBondContact O-CB 3.32Å; L437-A441 PolarHBondContact O-N 2.95Å
438Q83Confident75.9Confident128 Ų12872.3 Ų72.360%0.59840%0.396SS*.Hα-helixtrans-64.7-42.9173.7-73.6177.3-6.400112.3E434 S435 L436 A441 Q442E434-Q438 WeakPolarHBondContact O-CG 3.38Å; E434-Q438 PolarHBondContact O-N 3.47Å; S435-Q438 PolarHBondContact O-N 3.39Å; L436-Q438 VanDerWaalsContact C-N 3.28Å; L436-Q438 PolarHBondContact O-N 3.36Å; Q438-A441 PolarHBondContact O-N 3.25Å; Q438-Q442 WeakPolarHBondContact O-CG 3.41Å; Q438-Q442 PolarHBondContact O-N 2.94Å
439Q81.8Confident74.1Confident68 Ų6872.6 Ų72.632%0.31840%0.397SS..Hα-helixtrans-62-44.5175.8-70.6173.154.800111.5L377 S435 L436 A441 Q442 F443L377-Q439 HydrophobicContact CD1-CB 3.99Å; L377-Q439 HydrophobicContact CD2-CB 4.14Å; L377-Q439 VanDerWaalsContact CD2-OE1 3.32Å; S435-Q439 WeakPolarHBondContact O-CG 3.25Å; S435-Q439 PolarHBondContact O-N 3.06Å; S435-Q439 PolarHBondContact OG-NE2 3.48Å; L436-Q439 PolarHBondContact O-N 3.46Å; Q439-A441 VanDerWaalsContact C-N 3.33Å; Q439-A441 PolarHBondContact O-N 2.93Å; Q439-Q442 PolarHBondContact O-N 2.89Å; Q439-F443 WeakPolarHBondContact O-CD2 3.39Å; Q439-F443 PolarHBondContact O-N 3.23Å
440I77.1Confident74Confident1 Ų175.2 Ų75.21%0.00541%0.412CS..Hα-helixtrans-60.8-43176.1-72.3166.6000111.1L355 L377 L381 L436 L437 F443 R444L355-I440 HydrophobicContact CB-CG2 4.4Å; L355-I440 HydrophobicContact CD2-CG2 3.72Å; L377-I440 HydrophobicContact CB-CD1 4.32Å; L377-I440 HydrophobicContact CB-CG1 3.79Å; L377-I440 HydrophobicContact CD1-CG1 4.28Å; L381-I440 HydrophobicContact CB-CD1 4.25Å; L381-I440 HydrophobicContact CD2-CD1 3.72Å; L436-I440 WeakPolarHBondContact O-CG1 3.42Å; L436-I440 PolarHBondContact O-N 3.3Å; L437-I440 PolarHBondContact O-N 3.34Å; I440-F443 PolarHBondContact O-N 3.21Å; I440-R444 PolarHBondContact O-N 3.18Å
441A77Confident73.7Confident58 Ų5875.8 Ų75.848%0.47942%0.417SS..Hα-helixtrans-63.5-40.817700000112.1L437 Q438 Q439 R444 S445L437-A441 WeakPolarHBondContact O-CB 3.32Å; L437-A441 PolarHBondContact O-N 2.95Å; Q438-A441 PolarHBondContact O-N 3.25Å; Q439-A441 VanDerWaalsContact C-N 3.33Å; Q439-A441 PolarHBondContact O-N 2.93Å; A441-R444 PolarHBondContact O-N 3.31Å; A441-S445 PolarHBondContact O-N 3.16Å; A441-S445 PolarHBondContact O-OG 3.45Å
442Q76.5Confident73.2Confident134 Ų13477 Ų7763%0.62642%0.415SS*.Hα-helixtrans-62.7-44.1174.9-76176.9-7.200111.7Q438 Q439 R444 S445 S446Q438-Q442 WeakPolarHBondContact O-CG 3.41Å; Q438-Q442 PolarHBondContact O-N 2.94Å; Q439-Q442 PolarHBondContact O-N 2.89Å; Q442-R444 VanDerWaalsContact C-N 3.28Å; Q442-R444 PolarHBondContact O-N 3.46Å; Q442-S445 WeakPolarHBondContact CA-OG 3.38Å; Q442-S445 PolarHBondContact O-N 3.45Å; Q442-S445 PolarHBondContact O-OG 3.44Å; Q442-S446 PolarHBondContact O-N 3.05Å
443F72.6Confident72.6Confident67 Ų6776 Ų7629%0.29441%0.41SS..Hα-helixtrans-56.9-39.9177-101.2-97.7000112.7L370 H374 L377 Q439 I440 S445 S446 S449L370-F443 HydrophobicContact CD2-CD1 3.75Å; L370-F443 HydrophobicContact CD2-CE1 3.86Å; H374-F443 HydrophobicContact CB-CD1 4.33Å; L377-F443 HydrophobicContact CD1-CD2 3.47Å; L377-F443 VanDerWaalsContact CD1-CD2 3.47Å; L377-F443 HydrophobicContact CD1-CE2 3.59Å; L377-F443 HydrophobicContact CD1-CG 4.14Å; L377-F443 HydrophobicContact CD1-CZ 4.34Å; Q439-F443 WeakPolarHBondContact O-CD2 3.39Å; Q439-F443 PolarHBondContact O-N 3.23Å; I440-F443 PolarHBondContact O-N 3.21Å; F443-S445 VanDerWaalsContact C-N 3.33Å; F443-S446 PolarHBondContact O-N 3.02Å; F443-S449 WeakPolarHBondContact O-CB 3.4Å; F443-S449 PolarHBondContact O-OG 3.38Å
444R68.1Low72.2Confident91 Ų9176.8 Ų76.834%0.34342%0.418SS..Hα-helixtrans-75.9-16.3176.3-85.6-161.1168.6-157.14.8115.3R353 H354 Q356 I440 A441 Q442 S449R353-R444 PolarHBondContact O-NH2 3.5Å; H354-R444 VanDerWaalsContact C-CZ 3.5Å; H354-R444 VanDerWaalsContact O-CD 3.23Å; H354-R444 WeakPolarHBondContact O-CD 3.43Å; H354-R444 PolarHBondContact O-NE 2.93Å; H354-R444 VanDerWaalsContact O-NE 3.1Å; H354-R444 PolarHBondContact O-NH1 3.28Å; Q356-R444 PolarHBondContact O-NE 3.36Å; Q356-R444 PolarHBondContact O-NH2 2.9Å; I440-R444 PolarHBondContact O-N 3.18Å; A441-R444 PolarHBondContact O-N 3.31Å; Q442-R444 VanDerWaalsContact C-N 3.28Å; Q442-R444 PolarHBondContact O-N 3.46Å; R444-S449 PolarHBondContact O-OG 2.76Å
445S68.6Low71.5Confident89 Ų8974 Ų7462%0.62241%0.41SS*.THydrogen-bonded Turntrans-91.6-2.9176.764.90000112.7A441 Q442 F443A441-S445 PolarHBondContact O-N 3.16Å; A441-S445 PolarHBondContact O-OG 3.45Å; Q442-S445 WeakPolarHBondContact CA-OG 3.38Å; Q442-S445 PolarHBondContact O-N 3.45Å; Q442-S445 PolarHBondContact O-OG 3.44Å; F443-S445 VanDerWaalsContact C-N 3.33Å
446S64.4Low70.4Confident34 Ų3475.7 Ų75.724%0.23841%0.414CS..SBendtrans-66132.3175.2-172.50000109.5Q442 F443 E448 S449Q442-S446 PolarHBondContact O-N 3.05Å; F443-S446 PolarHBondContact O-N 3.02Å; S446-E448 PolarHBondContact O-N 3Å; S446-S449 PolarHBondContact O-N 3.31Å; S446-S449 PolarHBondContact O-OG 3.3Å
447P56.5Low69.6Low128 Ų12880.5 Ų80.583%0.83144%0.44SS*.THydrogen-bonded Turntrans-61.8-11176.723.8-31.8000113.8
448E53.3Low68.7Low122 Ų12283.1 Ų83.157%0.5746%0.455SS*.THydrogen-bonded Turntrans-95.8-6.2178.4-64.3168-171.300113.7L370 S446L370-E448 HydrophobicContact CD1-CB 3.74Å; S446-E448 PolarHBondContact O-N 3Å
449S46.1Very low67.4Low77 Ų7779 Ų7954%0.53844%0.442SS..  trans-94.80174.875.70000112F443 R444 S446F443-S449 WeakPolarHBondContact O-CB 3.4Å; F443-S449 PolarHBondContact O-OG 3.38Å; R444-S449 PolarHBondContact O-OG 2.76Å; S446-S449 PolarHBondContact O-N 3.31Å; S446-S449 PolarHBondContact O-OG 3.3Å

Retrieved 449 of 449 residues in 555.3 ms (Link to these results)

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